A0A3Q0KEP8_SCHMA Loading...

Niemann-pick C1 (NPC1)

AlphaFold DB , UniProt , Accession A0A3Q0KEP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,439 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
1M44.7Very low52.8Low205 Ų205104.1 Ų104.1100%1.0163%0.625SS**  0-65.80-71.5-176.7179.100112.5L3 C4 V5M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.07Å; M1-L3 VanDerWaalsContact O-N 3.1Å; M1-C4 WeakPolarHBondContact O-CB 3.35Å; M1-C4 PolarHBondContact O-N 3.21Å; M1-V5 PolarHBondContact O-N 3.44Å
2A47.5Very low53Low83 Ų83102.7 Ų102.769%0.68662%0.622SS**Hα-helixtrans-47-44.3-172.300000115.8C4 V5 A6A2-C4 VanDerWaalsContact C-N 3.35Å; A2-C4 PolarHBondContact O-N 3.42Å; A2-V5 WeakPolarHBondContact O-CB 3.44Å; A2-V5 PolarHBondContact O-N 3.11Å; A2-V5 VanDerWaalsContact O-N 3.15Å; A2-A6 PolarHBondContact O-N 3.49Å
3L47.6Very low53Low153 Ų153107.7 Ų107.780%0.80163%0.631SS**Hα-helixtrans-63.6-32.4177.3-83.1155.6000114.3M1 A7M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.07Å; M1-L3 VanDerWaalsContact O-N 3.1Å; L3-A7 PolarHBondContact O-N 3.24Å; L3-A7 VanDerWaalsContact O-N 3.14Å
4C49.2Very low53Low88 Ų88107.8 Ų107.860%0.59563%0.626SS**Hα-helixtrans-72.4-35.2173.2-57.50000111.5M1 A2 A7 C8M1-C4 WeakPolarHBondContact O-CB 3.35Å; M1-C4 PolarHBondContact O-N 3.21Å; A2-C4 VanDerWaalsContact C-N 3.35Å; A2-C4 PolarHBondContact O-N 3.42Å; C4-A7 PolarHBondContact O-N 3.06Å; C4-C8 WeakPolarHBondContact O-CB 3.41Å; C4-C8 PolarHBondContact O-N 3.38Å; C4-C8 PolarHBondContact O-SG 3.27Å; C4-C8 VanDerWaalsContact O-SG 3.35Å
5V59Low52.7Low91 Ų91110.1 Ų110.155%0.55263%0.634SS**Hα-helixtrans-64.6-44.6175.5-1790000110.1M1 A2 A7 C8 V9M1-V5 PolarHBondContact O-N 3.44Å; A2-V5 WeakPolarHBondContact O-CB 3.44Å; A2-V5 PolarHBondContact O-N 3.11Å; A2-V5 VanDerWaalsContact O-N 3.15Å; V5-A7 PolarHBondContact O-N 2.83Å; V5-C8 PolarHBondContact O-N 3.26Å; V5-V9 HydrophobicContact CG1-CG2 4.38Å; V5-V9 WeakPolarHBondContact O-CB 3.47Å; V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.38Å; V5-V9 PolarHBondContact O-N 3.36Å
6A54.9Low52.1Low60 Ų60117.5 Ų117.550%0.49665%0.648SS.*Hα-helixtrans-58.8-44.417500000112.5A2 V9 F10A2-A6 PolarHBondContact O-N 3.49Å; A6-V9 PolarHBondContact O-N 2.95Å; A6-F10 PolarHBondContact O-N 2.96Å; A6-F10 VanDerWaalsContact O-N 3.13Å
7A53.2Low51.3Low57 Ų57118.4 Ų118.447%0.47165%0.65SS.*Hα-helixtrans-64.1-45.9176.900000112.6L3 C4 V5 V9 F10 V11L3-A7 PolarHBondContact O-N 3.24Å; L3-A7 VanDerWaalsContact O-N 3.14Å; C4-A7 PolarHBondContact O-N 3.06Å; V5-A7 PolarHBondContact O-N 2.83Å; A7-V9 PolarHBondContact O-N 3.44Å; A7-F10 PolarHBondContact O-N 3.04Å; A7-V11 WeakPolarHBondContact O-CG2 3.38Å; A7-V11 PolarHBondContact O-N 3.09Å; A7-V11 VanDerWaalsContact O-N 3.08Å
8C55.1Low50.3Low80 Ų80121.9 Ų121.954%0.54166%0.661SS.*Hα-helixtrans-63.4-40177-70.80000112.3C4 V5 F10 V11 C12C4-C8 WeakPolarHBondContact O-CB 3.41Å; C4-C8 PolarHBondContact O-N 3.38Å; C4-C8 PolarHBondContact O-SG 3.27Å; C4-C8 VanDerWaalsContact O-SG 3.35Å; V5-C8 PolarHBondContact O-N 3.26Å; C8-F10 VanDerWaalsContact C-N 3.32Å; C8-F10 PolarHBondContact O-N 3.2Å; C8-V11 PolarHBondContact O-N 3.28Å; C8-C12 WeakPolarHBondContact O-CB 3.5Å; C8-C12 PolarHBondContact O-N 3.44Å; C8-C12 PolarHBondContact O-SG 3.17Å
9V59.1Low49.5Very low85 Ų85121.3 Ų121.352%0.51567%0.667SS.*Hα-helixtrans-60.8-41.9175.6167.90000111.1V5 A6 A7 C12 F13V5-V9 HydrophobicContact CG1-CG2 4.38Å; V5-V9 WeakPolarHBondContact O-CB 3.47Å; V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.38Å; V5-V9 PolarHBondContact O-N 3.36Å; A6-V9 PolarHBondContact O-N 2.95Å; A7-V9 PolarHBondContact O-N 3.44Å; V9-C12 PolarHBondContact O-N 2.85Å; V9-F13 PolarHBondContact O-N 2.78Å; V9-F13 VanDerWaalsContact O-N 3.1Å
10F54.7Low48.8Very low156 Ų156122 Ų12268%0.68467%0.674SS**Hα-helixtrans-67.5-39.4179.3-144.5-92.7000112.7A6 A7 C8 F13A6-F10 PolarHBondContact O-N 2.96Å; A6-F10 VanDerWaalsContact O-N 3.13Å; A7-F10 PolarHBondContact O-N 3.04Å; C8-F10 VanDerWaalsContact C-N 3.32Å; C8-F10 PolarHBondContact O-N 3.2Å; F10-F13 PolarHBondContact O-N 3.09Å
11V56.1Low48.9Very low87 Ų87120.3 Ų120.353%0.52767%0.671SS.*Hα-helixtrans-70-40.4176.2174.60000111.8A7 C8 F13 I14 L15A7-V11 WeakPolarHBondContact O-CG2 3.38Å; A7-V11 PolarHBondContact O-N 3.09Å; A7-V11 VanDerWaalsContact O-N 3.08Å; C8-V11 PolarHBondContact O-N 3.28Å; V11-F13 PolarHBondContact O-N 3.39Å; V11-I14 PolarHBondContact O-N 3.27Å; V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 PolarHBondContact O-N 3.02Å
12C54.3Low49.2Very low87 Ų87112.9 Ų112.959%0.58864%0.639SS**Hα-helixtrans-64-26174.5-73.60000113.3C8 V9C8-C12 WeakPolarHBondContact O-CB 3.5Å; C8-C12 PolarHBondContact O-N 3.44Å; C8-C12 PolarHBondContact O-SG 3.17Å; V9-C12 PolarHBondContact O-N 2.85Å
13F53.5Low50.5Low168 Ų168110.8 Ų110.874%0.73762%0.616SS**Hα-helixtrans-71.2-30178.5-132.3-88.3000113.2V9 F10 V11V9-F13 PolarHBondContact O-N 2.78Å; V9-F13 VanDerWaalsContact O-N 3.1Å; F10-F13 PolarHBondContact O-N 3.09Å; V11-F13 PolarHBondContact O-N 3.39Å
14I53.3Low52.4Low109 Ų109103.5 Ų103.556%0.55958%0.578SS**Hα-helixtrans-85.5-29.6-177.9-64175.1000111.4V11 R16V11-I14 PolarHBondContact O-N 3.27Å; I14-R16 PolarHBondContact O-N 3.33Å
15L48Very low54.3Low143 Ų14399.6 Ų99.675%0.74955%0.551SS**THydrogen-bonded Turntrans-84.96.7-175.2-74.6168.9000115.8V11V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 PolarHBondContact O-N 3.02Å
16R43.7Very low55.8Low228 Ų22895.2 Ų95.286%0.8653%0.525SS*.THydrogen-bonded Turntrans-98.23.8172.9-86.1-164.1173.2-148.3-0.8115I14 H18I14-R16 PolarHBondContact O-N 3.33Å; R16-H18 PolarHBondContact O-N 3.31Å
17I37.4Very low57.5Low132 Ų13294.4 Ų94.468%0.67751%0.509SS*.  trans-85.274.4-179.6-50.5176.8000110.2
18H33.8Very low59.2Low182 Ų18292 Ų9284%0.84349%0.49SS*.  trans-179.1158.1152-98.124000111.4R16R16-H18 PolarHBondContact O-N 3.31Å
19S34.6Very low60.6Low111 Ų11190.5 Ų90.578%0.77648%0.476SS*.  trans74.793.4170.4-169.80000119.6
20V36.7Very low61.8Low135 Ų13587.6 Ų87.682%0.81846%0.46SS*.  trans58.5107.6136.7-170.30000119.6
21S50Low62.5Low87 Ų8788.1 Ų88.161%0.60847%0.47SS*.  -138.6140.9128.4570000109.5D23S21-D23 WeakPolarHBondContact CB-OD1 3.4Å; S21-D23 PolarHBondContact OG-OD1 3.17Å
22S51.9Low63Low48 Ų4885.6 Ų85.634%0.33646%0.456SS..  trans-96.8114.7158.649.70000106N44 A117S22-N44 WeakPolarHBondContact CB-O 3.22Å; S22-A117 WeakPolarHBondContact O-CB 3.2Å
23D73.8Confident63.5Low39 Ų3987.8 Ų87.821%0.20947%0.472CS..  trans-86.7-33.8-165.3-42.6-41.8000111.7S21 G45 T46 P114 N115 Q116 A117S21-D23 WeakPolarHBondContact CB-OD1 3.4Å; S21-D23 PolarHBondContact OG-OD1 3.17Å; D23-G45 PolarHBondContact N-O 3.34Å; D23-G45 VanDerWaalsContact N-O 3.08Å; D23-T46 WeakPolarHBondContact OD2-CB 3.29Å; D23-T46 VanDerWaalsContact OD2-CG2 3.29Å; D23-T46 WeakPolarHBondContact OD2-CG2 3.27Å; D23-P114 WeakPolarHBondContact CB-O 3.19Å; D23-N115 CarbonylContact O-C 3.53Å; D23-N115 VanDerWaalsContact O-C 3.26Å; D23-N115 WeakPolarHBondContact O-CA 3.28Å; D23-Q116 PolarHBondContact O-N 3.3Å; D23-Q116 VanDerWaalsContact O-N 3.09Å; D23-A117 PolarHBondContact O-N 2.67Å
24C87.7Confident64.1Low0 Ų082.8 Ų82.80%045%0.453CS..  trans-95.8159.6172.9-53.40000112.7Y43 G45 A47 C73C24-Y43 CarbonylContact C-O 3.57Å; C24-Y43 HydrophobicContact CB-CD1 3.89Å; C24-Y43 HydrophobicContact CB-CE1 4.2Å; C24-G45 PolarHBondContact N-O 3Å; C24-A47 VanDerWaalsContact SG-CA 3.6Å; C24-C73 WeakPolarHBondContact CA-SG 3.19Å; C24-C73 HydrophobicContact CB-CB 3.64Å; C24-C73 WeakPolarHBondContact CB-SG 3.43Å; C24-C73 VanDerWaalsContact SG-CA 3.54Å; C24-C73 WeakPolarHBondContact SG-CB 3.02Å; C24-C73 CovalentContact SG-SG 2.03Å; C24-C73 PolarHBondContact SG-SG 3.37Å
25I89.3Confident64.4Low6 Ų683.1 Ų83.13%0.03146%0.462CS..SBendtrans-109.1-25.8168.360.8159.3000113.3Y43 Q116 A117 I120 P122 I132I25-Y43 CarbonylContact C-O 3.26Å; I25-Y43 VanDerWaalsContact C-O 3.27Å; I25-Y43 PolarHBondContact O-N 3.29Å; I25-Q116 HydrophobicContact CG1-CB 4.08Å; I25-Q116 HydrophobicContact CG1-CG 4.46Å; I25-Q116 HydrophobicContact CG2-CB 4.36Å; I25-A117 HydrophobicContact CG2-CB 4.13Å; I25-I120 HydrophobicContact CD1-CB 3.85Å; I25-I120 HydrophobicContact CD1-CD1 3.93Å; I25-I120 HydrophobicContact CD1-CG2 3.53Å; I25-P122 HydrophobicContact CB-CG 4.11Å; I25-P122 HydrophobicContact CD1-CB 4.21Å; I25-P122 HydrophobicContact CG2-CG 4.13Å; I25-I132 HydrophobicContact CD1-CG2 4.43Å
26W91.2Very high65Low0 Ų079.2 Ų79.20%045%0.451CS..EExtended strand (participates in β ladder)trans-142.4164.3-179.558.850000111.6Y40 C41 M110 T111 V129 I132 F188W26-Y40 AromaticContact CD2-CD2 3.51Å; W26-Y40 HydrophobicContact CD2-CD2 3.51Å; W26-Y40 HydrophobicContact CD2-CE2 4.34Å; W26-Y40 HydrophobicContact CD2-CG 4.22Å; W26-Y40 AromaticContact CE2-CD2 3.5Å; W26-Y40 VanDerWaalsContact CE2-CD2 3.5Å; W26-Y40 AromaticContact CE2-CE2 3.86Å; W26-Y40 AromaticContact CE3-CD2 3.71Å; W26-Y40 HydrophobicContact CE3-CD2 3.71Å; W26-Y40 HydrophobicContact CE3-CG 4.5Å; W26-Y40 HydrophobicContact CG-CD2 4.05Å; W26-Y40 HydrophobicContact CG-CG 4.35Å; W26-Y40 AromaticContact CH2-CD2 3.96Å; W26-Y40 HydrophobicContact CH2-CD2 3.96Å; W26-Y40 HydrophobicContact CH2-CE2 4.12Å; W26-Y40 AromaticContact CZ2-CD2 3.75Å; W26-Y40 HydrophobicContact CZ2-CD2 3.75Å; W26-Y40 AromaticContact CZ2-CE2 3.76Å; W26-Y40 HydrophobicContact CZ2-CE2 3.76Å; W26-Y40 AromaticContact CZ3-CD2 3.92Å; W26-Y40 HydrophobicContact CZ3-CD2 3.92Å; W26-Y40 AromaticContact NE1-CD2 3.97Å; W26-C41 CarbonylContact C-O 3.53Å; W26-C41 WeakPolarHBondContact CA-O 3.44Å; W26-C41 VanDerWaalsContact CB-O 3.23Å; W26-C41 WeakPolarHBondContact CB-O 3.39Å; W26-M110 HydrophobicContact CH2-CE 4.27Å; W26-M110 HydrophobicContact CH2-CG 3.95Å; W26-M110 HydrophobicContact CH2-SD 4.43Å; W26-M110 HydrophobicContact CZ2-CE 4.5Å; W26-M110 HydrophobicContact CZ2-CG 4.18Å; W26-M110 VanDerWaalsContact CZ2-O 3.22Å; W26-M110 WeakPolarHBondContact CZ2-O 3.38Å; W26-T111 PolarHBondContact NE1-O 3.43Å; W26-V129 HydrophobicContact CB-CG2 4.48Å; W26-V129 HydrophobicContact CE3-CB 4.5Å; W26-V129 HydrophobicContact CE3-CG1 4.29Å; W26-V129 HydrophobicContact CE3-CG2 4.25Å; W26-V129 HydrophobicContact CZ3-CG1 4.37Å; W26-I132 HydrophobicContact CH2-CD1 4.13Å; W26-I132 HydrophobicContact CZ3-CD1 4.33Å; W26-I132 HydrophobicContact CZ3-CG2 3.79Å; W26-F188 HydrophobicContact CH2-CE2 4.08Å; W26-F188 AromaticContact CH2-CZ 3.58Å; W26-F188 HydrophobicContact CH2-CZ 3.58Å; W26-F188 HydrophobicContact CZ3-CE1 4.42Å; W26-F188 AromaticContact CZ3-CE2 3.92Å; W26-F188 HydrophobicContact CZ3-CE2 3.92Å; W26-F188 AromaticContact CZ3-CZ 3.55Å; W26-F188 HydrophobicContact CZ3-CZ 3.55Å
27Y90.4Very high66.2Low42 Ų4270.8 Ų70.817%0.16542%0.421CS..EExtended strand (participates in β ladder)trans-163.7122168.1-163.8-76.8000110.4C41 Y43 K48 D75Y27-C41 PolarHBondContact N-O 3.36Å; Y27-Y43 HydrophobicContact CD2-CD1 4.48Å; Y27-Y43 HydrophobicContact CD2-CE1 4.48Å; Y27-Y43 HydrophobicContact CG-CD1 4.33Å; Y27-K48 HydrophobicContact CD1-CD 4.44Å; Y27-K48 HydrophobicContact CD2-CD 3.99Å; Y27-K48 HydrophobicContact CD2-CG 4.27Å; Y27-K48 HydrophobicContact CE1-CD 4.04Å; Y27-K48 VanDerWaalsContact CE1-NZ 3.28Å; Y27-K48 HydrophobicContact CE2-CB 3.81Å; Y27-K48 HydrophobicContact CE2-CD 3.57Å; Y27-K48 HydrophobicContact CE2-CG 3.8Å; Y27-K48 HydrophobicContact CG-CD 4.4Å; Y27-D75 HydrophobicContact CD1-CB 4.49Å; Y27-D75 HydrophobicContact CE1-CB 3.63Å
28G88.7Confident68Low7 Ų767.9 Ų67.97%0.07240%0.404CS..EExtended strand (participates in β ladder)trans78.8167.4-177.900000114.4Y40 C41 D75 Q78G28-Y40 WeakPolarHBondContact O-CA 3.42Å; G28-C41 PolarHBondContact O-N 3.22Å; G28-D75 WeakPolarHBondContact CA-OD2 3.43Å; G28-Q78 VanDerWaalsContact N-CD 3.33Å
29I85Confident70.4Confident48 Ų4861.1 Ų61.125%0.24637%0.373CS..EExtended strand (participates in β ladder)trans-94.3137.3-179-56-176.9000109.2Q38 Y40 C41 D77 Q78 Y81I29-Q38 HydrophobicContact CG2-CB 3.84Å; I29-Q38 HydrophobicContact CG2-CG 4.41Å; I29-Y40 HydrophobicContact CG1-CD1 4.19Å; I29-Y40 HydrophobicContact CG1-CE1 4.33Å; I29-C41 PolarHBondContact O-SG 3.01Å; I29-D77 HydrophobicContact CD1-CB 4.21Å; I29-Q78 HydrophobicContact CG1-CG 3.82Å; I29-Y81 HydrophobicContact CD1-CG 4.37Å
30C83.2Confident73Confident25 Ų2556 Ų5617%0.16934%0.337CS..EExtended strand (participates in β ladder)trans-107.7147.7176.4-96.40000110.2S32 K39 C41 L128C30-S32 PolarHBondContact O-N 2.87Å; C30-K39 PolarHBondContact N-O 3.01Å; C30-C41 WeakPolarHBondContact CA-SG 3.24Å; C30-C41 HydrophobicContact CB-CB 4.16Å; C30-C41 WeakPolarHBondContact CB-SG 3.07Å; C30-C41 PolarHBondContact N-SG 2.98Å; C30-C41 VanDerWaalsContact N-SG 3.4Å; C30-C41 WeakPolarHBondContact SG-CA 3.37Å; C30-C41 WeakPolarHBondContact SG-CB 3.11Å; C30-C41 CovalentContact SG-SG 2.04Å; C30-C41 PolarHBondContact SG-SG 3.1Å; C30-L128 HydrophobicContact CB-CD2 3.59Å; C30-L128 HydrophobicContact CB-CG 4.46Å
31D70.7Confident75.5Confident167 Ų16751 Ų5189%0.89331%0.307SS*.  trans-57.3109.8176.5-69.1-42.5000110.7
32S66.3Low77.3Confident34 Ų3448.7 Ų48.724%0.23829%0.291CS..  trans-92.1147.6174-176.30000109.3C30 D34 H37C30-S32 PolarHBondContact O-N 2.87Å; S32-D34 VanDerWaalsContact CB-O 3.28Å; S32-D34 WeakPolarHBondContact CB-O 3.44Å; S32-D34 PolarHBondContact O-N 3.28Å; S32-D34 PolarHBondContact OG-N 3.37Å; S32-D34 PolarHBondContact OG-O 2.78Å; S32-D34 VanDerWaalsContact OG-O 3.12Å; S32-H37 PolarHBondContact OG-O 2.88Å
33S64.6Low79.1Confident133 Ų13349.9 Ų49.993%0.9329%0.288SS*.SBendtrans-69.2-16.116852.90000112.7
34D65.3Low79.6Confident62 Ų6252.9 Ų52.933%0.33230%0.304SS..  trans-106114.5173-176-19000109.5S32 A36 H37S32-D34 VanDerWaalsContact CB-O 3.28Å; S32-D34 WeakPolarHBondContact CB-O 3.44Å; S32-D34 PolarHBondContact O-N 3.28Å; S32-D34 PolarHBondContact OG-N 3.37Å; S32-D34 PolarHBondContact OG-O 2.78Å; S32-D34 VanDerWaalsContact OG-O 3.12Å; D34-A36 VanDerWaalsContact C-N 3.32Å; D34-A36 WeakPolarHBondContact OD1-CA 3.47Å; D34-A36 WeakPolarHBondContact OD1-CB 3.5Å; D34-A36 PolarHBondContact OD1-N 2.8Å; D34-H37 HydrophobicContact CB-CB 4.39Å; D34-H37 CarbonylContact O-C 3.56Å; D34-H37 PolarHBondContact OD1-N 3.27Å; D34-H37 IonicContact OD1-ND1 2.95Å; D34-H37 IonicContact OD2-CE1 2.6Å; D34-H37 IonicContact OD2-CG 2.7Å; D34-H37 IonicContact OD2-ND1 3.96Å; D34-H37 PolarHBondContact OD2-ND1 3.16Å
35P61.1Low79.4Confident116 Ų11653.6 Ų53.675%0.75331%0.312SS*.SBendtrans-76.1-15.3179.231.8-35.3000114
36A59Low79.3Confident62 Ų6257.1 Ų57.151%0.51233%0.334SS..SBendtrans-81-41.8172.900000111D34 Y81D34-A36 VanDerWaalsContact C-N 3.32Å; D34-A36 WeakPolarHBondContact OD1-CA 3.47Å; D34-A36 WeakPolarHBondContact OD1-CB 3.5Å; D34-A36 PolarHBondContact OD1-N 2.8Å; A36-Y81 PolarHBondContact O-OH 3.34Å; A36-Y81 VanDerWaalsContact O-OH 3.06Å
37H68.8Low79.1Confident50 Ų5057.5 Ų57.523%0.23134%0.337CS..SBendtrans-10378.9179.7-55.8105.2000111.1S32 D34 K39S32-H37 PolarHBondContact OG-O 2.88Å; D34-H37 HydrophobicContact CB-CB 4.39Å; D34-H37 CarbonylContact O-C 3.56Å; D34-H37 PolarHBondContact OD1-N 3.27Å; D34-H37 IonicContact OD1-ND1 2.95Å; D34-H37 IonicContact OD2-CE1 2.6Å; D34-H37 IonicContact OD2-CG 2.7Å; D34-H37 IonicContact OD2-ND1 3.96Å; D34-H37 PolarHBondContact OD2-ND1 3.16Å; H37-K39 PolarHBondContact O-N 3.17Å
38Q76Confident79Confident71 Ų7158.8 Ų58.833%0.33234%0.344SS..  trans-70126.1175.2-67.2-168.4-25.500110.8I29 Y81 P187I29-Q38 HydrophobicContact CG2-CB 3.84Å; I29-Q38 HydrophobicContact CG2-CG 4.41Å; Q38-Y81 HydrophobicContact CB-CD2 4.32Å; Q38-Y81 HydrophobicContact CB-CE2 3.8Å; Q38-Y81 HydrophobicContact CG-CD2 4.5Å; Q38-Y81 HydrophobicContact CG-CE2 3.99Å; Q38-P187 WeakPolarHBondContact O-CB 3.31Å
39K83.2Confident78.9Confident41 Ų4162 Ų6218%0.17837%0.369CS..EExtended strand (participates in β ladder)trans-105.5144.4-175.7-61.4-164.2176.9-1610111.6C30 H37 L128 P187C30-K39 PolarHBondContact N-O 3.01Å; H37-K39 PolarHBondContact O-N 3.17Å; K39-L128 HydrophobicContact CB-CD2 3.89Å; K39-P187 WeakPolarHBondContact CE-O 3.43Å
40Y89.5Confident78.8Confident4 Ų461 Ų612%0.01636%0.364CS..EExtended strand (participates in β ladder)trans-79.8145.4-176.3-56.3-36.6000112.4W26 G28 I29 Q78 V129 F188W26-Y40 AromaticContact CD2-CD2 3.51Å; W26-Y40 HydrophobicContact CD2-CD2 3.51Å; W26-Y40 HydrophobicContact CD2-CE2 4.34Å; W26-Y40 HydrophobicContact CD2-CG 4.22Å; W26-Y40 AromaticContact CE2-CD2 3.5Å; W26-Y40 VanDerWaalsContact CE2-CD2 3.5Å; W26-Y40 AromaticContact CE2-CE2 3.86Å; W26-Y40 AromaticContact CE3-CD2 3.71Å; W26-Y40 HydrophobicContact CE3-CD2 3.71Å; W26-Y40 HydrophobicContact CE3-CG 4.5Å; W26-Y40 HydrophobicContact CG-CD2 4.05Å; W26-Y40 HydrophobicContact CG-CG 4.35Å; W26-Y40 AromaticContact CH2-CD2 3.96Å; W26-Y40 HydrophobicContact CH2-CD2 3.96Å; W26-Y40 HydrophobicContact CH2-CE2 4.12Å; W26-Y40 AromaticContact CZ2-CD2 3.75Å; W26-Y40 HydrophobicContact CZ2-CD2 3.75Å; W26-Y40 AromaticContact CZ2-CE2 3.76Å; W26-Y40 HydrophobicContact CZ2-CE2 3.76Å; W26-Y40 AromaticContact CZ3-CD2 3.92Å; W26-Y40 HydrophobicContact CZ3-CD2 3.92Å; W26-Y40 AromaticContact NE1-CD2 3.97Å; G28-Y40 WeakPolarHBondContact O-CA 3.42Å; I29-Y40 HydrophobicContact CG1-CD1 4.19Å; I29-Y40 HydrophobicContact CG1-CE1 4.33Å; Y40-Q78 HydrophobicContact CD1-CG 3.92Å; Y40-Q78 HydrophobicContact CE1-CB 4.35Å; Y40-Q78 HydrophobicContact CE1-CG 3.79Å; Y40-V129 PolarHBondContact O-N 2.82Å; Y40-V129 VanDerWaalsContact O-N 3.08Å; Y40-F188 AromaticContact CD2-CE1 3.57Å; Y40-F188 HydrophobicContact CD2-CE1 3.57Å; Y40-F188 AromaticContact CD2-CZ 3.86Å; Y40-F188 HydrophobicContact CD2-CZ 3.86Å; Y40-F188 AromaticContact CE2-CE1 3.69Å; Y40-F188 HydrophobicContact CE2-CE1 3.69Å; Y40-F188 AromaticContact CE2-CZ 3.87Å; Y40-F188 HydrophobicContact CE2-CZ 3.87Å; Y40-F188 HydrophobicContact CG-CE1 4.26Å
41C89.6Confident78.8Confident28 Ų2862.1 Ų62.119%0.18937%0.372CS..EExtended strand (participates in β ladder)trans-73.8128.6173.3-61.70000110.6W26 Y27 G28 I29 C30 Y43W26-C41 CarbonylContact C-O 3.53Å; W26-C41 WeakPolarHBondContact CA-O 3.44Å; W26-C41 VanDerWaalsContact CB-O 3.23Å; W26-C41 WeakPolarHBondContact CB-O 3.39Å; Y27-C41 PolarHBondContact N-O 3.36Å; G28-C41 PolarHBondContact O-N 3.22Å; I29-C41 PolarHBondContact O-SG 3.01Å; C30-C41 WeakPolarHBondContact CA-SG 3.24Å; C30-C41 HydrophobicContact CB-CB 4.16Å; C30-C41 WeakPolarHBondContact CB-SG 3.07Å; C30-C41 PolarHBondContact N-SG 2.98Å; C30-C41 VanDerWaalsContact N-SG 3.4Å; C30-C41 WeakPolarHBondContact SG-CA 3.37Å; C30-C41 WeakPolarHBondContact SG-CB 3.11Å; C30-C41 CovalentContact SG-SG 2.04Å; C30-C41 PolarHBondContact SG-SG 3.1Å; C41-Y43 PolarHBondContact O-N 3.05Å
42S88.8Confident79.3Confident39 Ų3961.1 Ų61.127%0.27337%0.367SS..EExtended strand (participates in β ladder)trans-63.2132.8173.3176.50000111.6I124 K127S42-I124 WeakPolarHBondContact OG-CD1 3.3Å; S42-K127 PolarHBondContact N-O 2.82Å
43Y88.6Confident79.9Confident73 Ų7364.3 Ų64.329%0.28638%0.381SS..  trans-154100.6-176.8171.6-101.7000110.3C24 I25 Y27 C41 G45 T46 K48C24-Y43 CarbonylContact C-O 3.57Å; C24-Y43 HydrophobicContact CB-CD1 3.89Å; C24-Y43 HydrophobicContact CB-CE1 4.2Å; I25-Y43 CarbonylContact C-O 3.26Å; I25-Y43 VanDerWaalsContact C-O 3.27Å; I25-Y43 PolarHBondContact O-N 3.29Å; Y27-Y43 HydrophobicContact CD2-CD1 4.48Å; Y27-Y43 HydrophobicContact CD2-CE1 4.48Å; Y27-Y43 HydrophobicContact CG-CD1 4.33Å; C41-Y43 PolarHBondContact O-N 3.05Å; Y43-G45 PolarHBondContact O-N 2.87Å; Y43-G45 VanDerWaalsContact O-N 3.13Å; Y43-T46 PolarHBondContact OH-O 3.34Å; Y43-K48 WeakPolarHBondContact OH-CE 3.22Å
44N84.2Confident80.7Confident102 Ų10258 Ų5855%0.54534%0.337SS..  trans-8840.5179.4-61.57.7000111.8S22S22-N44 WeakPolarHBondContact CB-O 3.22Å
45G84.4Confident81.6Confident16 Ų1658.1 Ų58.117%0.16534%0.335CS..SBendtrans-100-165.6-179.200000113.4D23 C24 Y43D23-G45 PolarHBondContact N-O 3.34Å; D23-G45 VanDerWaalsContact N-O 3.08Å; C24-G45 PolarHBondContact N-O 3Å; Y43-G45 PolarHBondContact O-N 2.87Å; Y43-G45 VanDerWaalsContact O-N 3.13Å
46T87.5Confident82.5Confident79 Ų7959.6 Ų59.649%0.48533%0.329SS..PPolyproline II helixtrans-96.4154.8177.560.40000111D23 Y43 K48D23-T46 WeakPolarHBondContact OD2-CB 3.29Å; D23-T46 VanDerWaalsContact OD2-CG2 3.29Å; D23-T46 WeakPolarHBondContact OD2-CG2 3.27Å; Y43-T46 PolarHBondContact OH-O 3.34Å; T46-K48 PolarHBondContact O-N 3.45Å
47A86.2Confident83.5Confident9 Ų957.9 Ų57.97%0.07431%0.313CS..PPolyproline II helixtrans-59.7135-178.100000112.6C24 K71 V72 P114C24-A47 VanDerWaalsContact SG-CA 3.6Å; A47-K71 HydrophobicContact CB-CB 3.83Å; A47-V72 WeakPolarHBondContact CA-O 3.39Å; A47-P114 HydrophobicContact CB-CB 3.8Å
48K87.8Confident84.3Confident69 Ų6955.5 Ų55.530%0.330%0.302SS..EExtended strand (participates in β ladder)trans-101.6154.4-174.1-54.3-175.2-156.7151.60111.2Y27 Y43 T46 K71 V72Y27-K48 HydrophobicContact CD1-CD 4.44Å; Y27-K48 HydrophobicContact CD2-CD 3.99Å; Y27-K48 HydrophobicContact CD2-CG 4.27Å; Y27-K48 HydrophobicContact CE1-CD 4.04Å; Y27-K48 VanDerWaalsContact CE1-NZ 3.28Å; Y27-K48 HydrophobicContact CE2-CB 3.81Å; Y27-K48 HydrophobicContact CE2-CD 3.57Å; Y27-K48 HydrophobicContact CE2-CG 3.8Å; Y27-K48 HydrophobicContact CG-CD 4.4Å; Y43-K48 WeakPolarHBondContact OH-CE 3.22Å; T46-K48 PolarHBondContact O-N 3.45Å; K48-K71 CarbonylContact O-C 3.54Å; K48-K71 VanDerWaalsContact O-CA 3.27Å; K48-K71 WeakPolarHBondContact O-CA 3.5Å; K48-V72 PolarHBondContact N-O 3.3Å; K48-V72 PolarHBondContact O-N 2.87Å
49A86.4Confident84.7Confident73 Ų7352.6 Ų52.660%0.60329%0.289SS*.EExtended strand (participates in β ladder)trans-73.2136.8170.700000110.1
50L83.9Confident84.4Confident28 Ų2853.6 Ų53.615%0.14730%0.302CS..PPolyproline II helixtrans-85.2159.8-176.8-167.656.2000112.1G54 L58 V72 L79L50-G54 WeakPolarHBondContact CD2-O 3.49Å; L50-L58 HydrophobicContact CD2-CB 3.92Å; L50-L58 HydrophobicContact CD2-CD2 3.9Å; L50-L58 HydrophobicContact CD2-CG 4.38Å; L50-V72 HydrophobicContact CB-CG2 4.14Å; L50-V72 HydrophobicContact CD2-CG2 4.22Å; L50-L79 HydrophobicContact CD1-CD1 4.23Å; L50-L79 HydrophobicContact CD2-CD1 3.56Å
51S83.4Confident84Confident48 Ų4854.2 Ų54.234%0.33631%0.305SS..PPolyproline II helixtrans-65162169.250.80000111.9G54 F55 E76S51-G54 WeakPolarHBondContact OG-CA 3.31Å; S51-G54 PolarHBondContact OG-N 3.47Å; S51-G54 VanDerWaalsContact OG-N 3.11Å; S51-F55 VanDerWaalsContact O-CB 3.29Å; S51-F55 WeakPolarHBondContact O-CB 3.22Å; S51-F55 PolarHBondContact O-N 2.82Å; S51-E76 VanDerWaalsContact CB-OE2 3.32Å; S51-E76 WeakPolarHBondContact CB-OE2 3.3Å; S51-E76 PolarHBondContact OG-OE2 3.15Å
52N81.9Confident84Confident146 Ų14653 Ų5378%0.78130%0.296SS*.Hα-helixtrans-64-41.4176.7-74.2-15.8000112.2F55 K56N52-F55 PolarHBondContact O-N 3.49Å; N52-K56 PolarHBondContact O-N 2.8Å
53D78.4Confident83.7Confident101 Ų10151.6 Ų51.654%0.5429%0.286SS..Hα-helixtrans-74-41.7179.1-66.3-68.1000111.3F55 K56 T57D53-F55 VanDerWaalsContact C-N 3.3Å; D53-F55 PolarHBondContact O-N 3.38Å; D53-K56 WeakPolarHBondContact O-CB 3.4Å; D53-K56 PolarHBondContact O-N 3.44Å; D53-K56 VanDerWaalsContact O-N 3.08Å; D53-T57 PolarHBondContact O-N 2.79Å; D53-T57 VanDerWaalsContact O-N 3.07Å
54G80.4Confident83.5Confident0 Ų050.7 Ų50.70%029%0.287CS..Hα-helixtrans-54.8-42166.700000113.1L50 S51 K56 T57 L58 E76L50-G54 WeakPolarHBondContact CD2-O 3.49Å; S51-G54 WeakPolarHBondContact OG-CA 3.31Å; S51-G54 PolarHBondContact OG-N 3.47Å; S51-G54 VanDerWaalsContact OG-N 3.11Å; G54-K56 VanDerWaalsContact C-N 3.28Å; G54-K56 PolarHBondContact O-N 3.5Å; G54-T57 PolarHBondContact O-N 3.38Å; G54-L58 WeakPolarHBondContact O-CB 3.18Å; G54-L58 PolarHBondContact O-N 3.01Å; G54-E76 PolarHBondContact N-OE2 3.25Å; G54-E76 VanDerWaalsContact N-OE2 3.16Å
55F84Confident83.5Confident65 Ų6547.4 Ų47.429%0.28527%0.267SS..Hα-helixtrans-63.3-33.5176.6-175.8-90000112.5S51 N52 D53 L58 S59 A66 G68 A70S51-F55 VanDerWaalsContact O-CB 3.29Å; S51-F55 WeakPolarHBondContact O-CB 3.22Å; S51-F55 PolarHBondContact O-N 2.82Å; N52-F55 PolarHBondContact O-N 3.49Å; D53-F55 VanDerWaalsContact C-N 3.3Å; D53-F55 PolarHBondContact O-N 3.38Å; F55-L58 HydrophobicContact CD2-CD2 4.47Å; F55-L58 PolarHBondContact O-N 2.76Å; F55-S59 WeakPolarHBondContact O-CB 3.48Å; F55-S59 PolarHBondContact O-N 2.74Å; F55-S59 PolarHBondContact O-OG 2.95Å; F55-A66 HydrophobicContact CE2-CB 4.15Å; F55-A66 HydrophobicContact CZ-CB 4.08Å; F55-G68 WeakPolarHBondContact CE2-O 3.37Å; F55-A70 HydrophobicContact CE2-CB 4.2Å
56K80.8Confident83.3Confident147 Ų14747.2 Ų47.264%0.63926%0.264SS*.Hα-helixtrans-70.8-34.2174.3-179.2-173.6172-167.40112.5N52 D53 G54 S59 S60N52-K56 PolarHBondContact O-N 2.8Å; D53-K56 WeakPolarHBondContact O-CB 3.4Å; D53-K56 PolarHBondContact O-N 3.44Å; D53-K56 VanDerWaalsContact O-N 3.08Å; G54-K56 VanDerWaalsContact C-N 3.28Å; G54-K56 PolarHBondContact O-N 3.5Å; K56-S59 PolarHBondContact O-OG 3.38Å; K56-S60 PolarHBondContact O-OG 3.32Å
57T80.6Confident82.7Confident27 Ų2748.6 Ų48.617%0.16627%0.272CS..Hα-helixtrans-70.8-39.8169.8-57.90000111.1D53 G54 S59 S60 L61 L79D53-T57 PolarHBondContact O-N 2.79Å; D53-T57 VanDerWaalsContact O-N 3.07Å; G54-T57 PolarHBondContact O-N 3.38Å; T57-S59 VanDerWaalsContact C-N 3.35Å; T57-S59 PolarHBondContact O-N 2.95Å; T57-S60 PolarHBondContact O-OG 2.98Å; T57-S60 VanDerWaalsContact O-OG 3.07Å; T57-L61 VanDerWaalsContact O-CB 3.29Å; T57-L61 WeakPolarHBondContact O-CB 3.35Å; T57-L61 PolarHBondContact O-N 3.16Å; T57-L79 HydrophobicContact CG2-CB 3.98Å
58L85.9Confident82Confident0 Ų050.7 Ų50.70%029%0.294CS..Hα-helixtrans-62.7-38.7174.6-171.376000111.8L50 G54 F55 S60 C62 A66 A70 V72 L79 C112L50-L58 HydrophobicContact CD2-CB 3.92Å; L50-L58 HydrophobicContact CD2-CD2 3.9Å; L50-L58 HydrophobicContact CD2-CG 4.38Å; G54-L58 WeakPolarHBondContact O-CB 3.18Å; G54-L58 PolarHBondContact O-N 3.01Å; F55-L58 HydrophobicContact CD2-CD2 4.47Å; F55-L58 PolarHBondContact O-N 2.76Å; L58-S60 PolarHBondContact O-N 2.94Å; L58-C62 HydrophobicContact CD1-CB 3.81Å; L58-C62 HydrophobicContact CG-CB 4.43Å; L58-C62 CarbonylContact O-C 3.45Å; L58-C62 VanDerWaalsContact O-CA 3.27Å; L58-C62 WeakPolarHBondContact O-CA 3.25Å; L58-C62 PolarHBondContact O-N 3.33Å; L58-A66 HydrophobicContact CD2-CB 4.17Å; L58-A66 HydrophobicContact CG-CB 4.16Å; L58-A70 HydrophobicContact CD2-CB 4.45Å; L58-V72 HydrophobicContact CD2-CG1 4.06Å; L58-L79 HydrophobicContact CB-CD1 4Å; L58-L79 HydrophobicContact CD1-CD1 4.16Å; L58-L79 HydrophobicContact CD1-CD2 3.95Å; L58-C112 HydrophobicContact CD1-CB 4.35Å
59S83Confident81.1Confident9 Ų955.3 Ų55.36%0.06332%0.322CS..Hα-helixtrans-74.7-20.7-17674.60000114.7F55 K56 T57 A66 S225F55-S59 WeakPolarHBondContact O-CB 3.48Å; F55-S59 PolarHBondContact O-N 2.74Å; F55-S59 PolarHBondContact O-OG 2.95Å; K56-S59 PolarHBondContact O-OG 3.38Å; T57-S59 VanDerWaalsContact C-N 3.35Å; T57-S59 PolarHBondContact O-N 2.95Å; S59-A66 VanDerWaalsContact CA-CB 3.49Å; S59-S225 WeakPolarHBondContact CB-OG 3.35Å; S59-S225 WeakPolarHBondContact O-CB 3.29Å; S59-S225 PolarHBondContact O-N 3.36Å; S59-S225 PolarHBondContact OG-OG 2.96Å
60S78Confident80.3Confident63 Ų6352.4 Ų52.444%0.44130%0.298SS..Hα-helixtrans-90.5-44.1172.162.50000112.2K56 T57 L58K56-S60 PolarHBondContact O-OG 3.32Å; T57-S60 PolarHBondContact O-OG 2.98Å; T57-S60 VanDerWaalsContact O-OG 3.07Å; L58-S60 PolarHBondContact O-N 2.94Å
61L81.4Confident80.4Confident17 Ų1757.6 Ų57.69%0.08932%0.32CS..Hα-helixtrans-82.4-45.6-174.5-167.260.9000112.2T57 P63 F82 A86 R104T57-L61 VanDerWaalsContact O-CB 3.29Å; T57-L61 WeakPolarHBondContact O-CB 3.35Å; T57-L61 PolarHBondContact O-N 3.16Å; L61-P63 VanDerWaalsContact C-CD 3.47Å; L61-P63 WeakPolarHBondContact O-CD 3.5Å; L61-F82 HydrophobicContact CD1-CE1 4.45Å; L61-F82 HydrophobicContact CD2-CB 4.43Å; L61-F82 HydrophobicContact CD2-CD1 3.37Å; L61-F82 HydrophobicContact CD2-CE1 3.73Å; L61-F82 HydrophobicContact CD2-CG 4.07Å; L61-F82 HydrophobicContact CG-CD1 4.07Å; L61-F82 HydrophobicContact CG-CE1 3.89Å; L61-A86 HydrophobicContact CD1-CB 4.49Å; L61-R104 WeakPolarHBondContact O-CD 3.23Å; L61-R104 PolarHBondContact O-NH1 3.38Å
62C88Confident80.7Confident1 Ų155.4 Ų55.41%0.00730%0.304CS..  trans-127.359.7-170.9-62.30000112.4L58 N64 Y65 A66 C108L58-C62 HydrophobicContact CD1-CB 3.81Å; L58-C62 HydrophobicContact CG-CB 4.43Å; L58-C62 CarbonylContact O-C 3.45Å; L58-C62 VanDerWaalsContact O-CA 3.27Å; L58-C62 WeakPolarHBondContact O-CA 3.25Å; L58-C62 PolarHBondContact O-N 3.33Å; C62-N64 PolarHBondContact O-N 3.39Å; C62-Y65 HydrophobicContact CB-CD2 4.37Å; C62-Y65 PolarHBondContact O-N 3.34Å; C62-A66 PolarHBondContact O-N 3.41Å; C62-C108 WeakPolarHBondContact CA-SG 3.43Å; C62-C108 HydrophobicContact CB-CB 3.72Å; C62-C108 WeakPolarHBondContact CB-SG 3.49Å; C62-C108 WeakPolarHBondContact SG-CB 3.33Å; C62-C108 CovalentContact SG-SG 2.03Å; C62-C108 PolarHBondContact SG-SG 2.84Å
63P83.9Confident81.1Confident10 Ų1048.4 Ų48.47%0.06527%0.267CS..THydrogen-bonded Turntrans-62-13.1-17229.8-40.8000114.9L61 Y65 R223 A224 D226L61-P63 VanDerWaalsContact C-CD 3.47Å; L61-P63 WeakPolarHBondContact O-CD 3.5Å; P63-Y65 VanDerWaalsContact C-N 3.34Å; P63-R223 HydrophobicContact CB-CB 4.32Å; P63-R223 HydrophobicContact CB-CG 4.13Å; P63-R223 WeakPolarHBondContact CB-O 3.26Å; P63-R223 WeakPolarHBondContact O-CD 3.37Å; P63-A224 HydrophobicContact CB-CB 4.16Å; P63-D226 HydrophobicContact CB-CB 3.91Å; P63-D226 HydrophobicContact CG-CB 3.78Å
64N82.6Confident81.7Confident54 Ų5443.6 Ų43.629%0.28924%0.241SC..THydrogen-bonded Turntrans-74.5-23.1174.1-64.8-27.7000113.3C62 R223C62-N64 PolarHBondContact O-N 3.39Å; N64-R223 WeakPolarHBondContact OD1-CD 3.29Å; N64-R223 PolarHBondContact OD1-NH1 3.16Å
65Y85.7Confident82.2Confident34 Ų3445 Ų4513%0.13325%0.248CC..THydrogen-bonded Turntrans-106.6-15.5-177.4-65.6-76000113.3C62 P63 V67 A70 C108 A109 D113C62-Y65 HydrophobicContact CB-CD2 4.37Å; C62-Y65 PolarHBondContact O-N 3.34Å; P63-Y65 VanDerWaalsContact C-N 3.34Å; Y65-V67 PolarHBondContact O-N 3.05Å; Y65-A70 VanDerWaalsContact O-CB 3.31Å; Y65-A70 WeakPolarHBondContact O-CB 3.26Å; Y65-C108 HydrophobicContact CD2-CB 4.1Å; Y65-C108 HydrophobicContact CE2-CB 4Å; Y65-A109 WeakPolarHBondContact OH-CA 3.24Å; Y65-A109 WeakPolarHBondContact OH-CB 3.35Å; Y65-D113 HydrophobicContact CE1-CB 3.88Å; Y65-D113 WeakPolarHBondContact CE1-OD2 3.24Å; Y65-D113 VanDerWaalsContact CZ-OD2 3.29Å; Y65-D113 PolarHBondContact OH-OD2 3.06Å
66A79.9Confident82.4Confident12 Ų1244.9 Ų44.910%0.09925%0.249CC..  trans-76.960.5179.300000113.4F55 L58 S59 C62F55-A66 HydrophobicContact CE2-CB 4.15Å; F55-A66 HydrophobicContact CZ-CB 4.08Å; L58-A66 HydrophobicContact CD2-CB 4.17Å; L58-A66 HydrophobicContact CG-CB 4.16Å; S59-A66 VanDerWaalsContact CA-CB 3.49Å; C62-A66 PolarHBondContact O-N 3.41Å
67V75.6Confident82.7Confident107 Ų10743 Ų4365%0.64825%0.246SC*.  trans-112.797.2-173.9-173.50000111.5Y65 A70Y65-V67 PolarHBondContact O-N 3.05Å; V67-A70 PolarHBondContact O-N 3.19Å
68G69.8Low83.1Confident53 Ų5341.7 Ų41.755%0.54624%0.238SC..SBendtrans63.2-136.3175.300000113F55 A70F55-G68 WeakPolarHBondContact CE2-O 3.37Å; G68-A70 PolarHBondContact O-N 3.11Å
69N70.4Confident83.2Confident167 Ų16741.7 Ų41.789%0.89324%0.238SC*.SBendtrans-73.365.2168.6-73.97.3000110K71N69-K71 PolarHBondContact O-N 2.87Å
70A68.7Low83.2Confident11 Ų1143.9 Ų43.99%0.09125%0.248CC..  trans-59.8125.1-176.400000110.5F55 L58 Y65 V67 G68F55-A70 HydrophobicContact CE2-CB 4.2Å; L58-A70 HydrophobicContact CD2-CB 4.45Å; Y65-A70 VanDerWaalsContact O-CB 3.31Å; Y65-A70 WeakPolarHBondContact O-CB 3.26Å; V67-A70 PolarHBondContact O-N 3.19Å; G68-A70 PolarHBondContact O-N 3.11Å
71K85.8Confident83.6Confident138 Ų13842.8 Ų42.860%0.624%0.235SC*.EExtended strand (participates in β ladder)trans-90.8127164-70.1-176.4173.6-169.10108.1A47 K48 N69A47-K71 HydrophobicContact CB-CB 3.83Å; K48-K71 CarbonylContact O-C 3.54Å; K48-K71 VanDerWaalsContact O-CA 3.27Å; K48-K71 WeakPolarHBondContact O-CA 3.5Å; N69-K71 PolarHBondContact O-N 2.87Å
72V89.2Confident83.8Confident1 Ų142.4 Ų42.41%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-135.3161.5-177.5-71.40000111A47 K48 L50 L58 C74 C112A47-V72 WeakPolarHBondContact CA-O 3.39Å; K48-V72 PolarHBondContact N-O 3.3Å; K48-V72 PolarHBondContact O-N 2.87Å; L50-V72 HydrophobicContact CB-CG2 4.14Å; L50-V72 HydrophobicContact CD2-CG2 4.22Å; L58-V72 HydrophobicContact CD2-CG1 4.06Å; V72-C74 VanDerWaalsContact C-N 3.31Å; V72-C112 WeakPolarHBondContact CA-O 3.39Å; V72-C112 HydrophobicContact CB-CB 4.41Å; V72-C112 WeakPolarHBondContact CB-O 3.43Å; V72-C112 HydrophobicContact CG1-CB 4.49Å
73C92Very high83.5Confident0 Ų044.9 Ų44.90%025%0.25CS..SBendtrans-96.629.9176.2-66.80000113C24 C112 D113 Q116C24-C73 WeakPolarHBondContact CA-SG 3.19Å; C24-C73 HydrophobicContact CB-CB 3.64Å; C24-C73 WeakPolarHBondContact CB-SG 3.43Å; C24-C73 VanDerWaalsContact SG-CA 3.54Å; C24-C73 WeakPolarHBondContact SG-CB 3.02Å; C24-C73 CovalentContact SG-SG 2.03Å; C24-C73 PolarHBondContact SG-SG 3.37Å; C73-C112 PolarHBondContact N-O 3.45Å; C73-C112 VanDerWaalsContact N-O 3.1Å; C73-D113 WeakPolarHBondContact CB-O 3.43Å; C73-D113 PolarHBondContact SG-O 3.01Å; C73-Q116 VanDerWaalsContact CB-CD 3.4Å; C73-Q116 HydrophobicContact CB-CG 4.24Å; C73-Q116 VanDerWaalsContact CB-OE1 3.24Å
74C90.5Very high83.2Confident0 Ų051.8 Ų51.80%028%0.279CS..  trans-140.2158.3177.4630000111.3V72 Q78 T111 C112V72-C74 VanDerWaalsContact C-N 3.31Å; C74-Q78 HydrophobicContact CB-CB 4.32Å; C74-T111 HydrophobicContact CB-CG2 4.39Å; C74-T111 WeakPolarHBondContact CB-O 3.41Å; C74-C112 HydrophobicContact CB-CB 4.02Å; C74-C112 WeakPolarHBondContact CB-SG 3.2Å; C74-C112 WeakPolarHBondContact SG-CB 3.34Å; C74-C112 CovalentContact SG-SG 2.04Å; C74-C112 PolarHBondContact SG-SG 2.92Å
75D89.8Confident83.1Confident28 Ų2852.2 Ų52.215%0.1529%0.286CS..  trans-110.3-176.6168.35925.2000113.1Y27 G28 D77 Q78 L79Y27-D75 HydrophobicContact CD1-CB 4.49Å; Y27-D75 HydrophobicContact CE1-CB 3.63Å; G28-D75 WeakPolarHBondContact CA-OD2 3.43Å; D75-D77 VanDerWaalsContact C-N 3.34Å; D75-D77 PolarHBondContact OD1-N 3.25Å; D75-Q78 WeakPolarHBondContact OD1-CG 3.31Å; D75-Q78 PolarHBondContact OD1-N 3.01Å; D75-L79 WeakPolarHBondContact O-CB 3.12Å; D75-L79 WeakPolarHBondContact O-CG 3.43Å; D75-L79 PolarHBondContact O-N 2.96Å
76E88Confident82.8Confident64 Ų6450.8 Ų50.830%0.29928%0.282SS..Hα-helixtrans-64.8-35.1-179.2-172.416915400112.5S51 G54 L79 N80S51-E76 VanDerWaalsContact CB-OE2 3.32Å; S51-E76 WeakPolarHBondContact CB-OE2 3.3Å; S51-E76 PolarHBondContact OG-OE2 3.15Å; G54-E76 PolarHBondContact N-OE2 3.25Å; G54-E76 VanDerWaalsContact N-OE2 3.16Å; E76-L79 PolarHBondContact O-N 2.79Å; E76-N80 VanDerWaalsContact O-CB 3.28Å; E76-N80 WeakPolarHBondContact O-CB 3.29Å; E76-N80 PolarHBondContact O-N 3.46Å; E76-N80 PolarHBondContact O-ND2 2.87Å; E76-N80 VanDerWaalsContact O-ND2 3.12Å
77D87.4Confident82.6Confident107 Ų10752.9 Ų52.957%0.57230%0.295SS*.Hα-helixtrans-71.8-43.1178.2-70.4-46000111.6I29 D75 L79 N80 Y81I29-D77 HydrophobicContact CD1-CB 4.21Å; D75-D77 VanDerWaalsContact C-N 3.34Å; D75-D77 PolarHBondContact OD1-N 3.25Å; D77-L79 VanDerWaalsContact C-N 3.31Å; D77-L79 PolarHBondContact O-N 2.76Å; D77-N80 PolarHBondContact O-N 2.71Å; D77-Y81 WeakPolarHBondContact O-CB 3.22Å; D77-Y81 PolarHBondContact O-N 2.75Å
78Q89Confident82.5Confident0 Ų050.5 Ų50.50%028%0.279CS..Hα-helixtrans-60.4-39.7171.4-70.2-175.6-76.800112.2G28 I29 Y40 C74 D75 Y81 F82G28-Q78 VanDerWaalsContact N-CD 3.33Å; I29-Q78 HydrophobicContact CG1-CG 3.82Å; Y40-Q78 HydrophobicContact CD1-CG 3.92Å; Y40-Q78 HydrophobicContact CE1-CB 4.35Å; Y40-Q78 HydrophobicContact CE1-CG 3.79Å; C74-Q78 HydrophobicContact CB-CB 4.32Å; D75-Q78 WeakPolarHBondContact OD1-CG 3.31Å; D75-Q78 PolarHBondContact OD1-N 3.01Å; Q78-Y81 PolarHBondContact O-N 3.45Å; Q78-F82 WeakPolarHBondContact O-CB 3.38Å; Q78-F82 PolarHBondContact O-N 3.08Å
79L87.6Confident83.1Confident0 Ų048.5 Ų48.50%026%0.257CS..Hα-helixtrans-67.4-41.5175.7-82.3170.5000112.9L50 T57 L58 D75 E76 D77 Y81 F82 S83L50-L79 HydrophobicContact CD1-CD1 4.23Å; L50-L79 HydrophobicContact CD2-CD1 3.56Å; T57-L79 HydrophobicContact CG2-CB 3.98Å; L58-L79 HydrophobicContact CB-CD1 4Å; L58-L79 HydrophobicContact CD1-CD1 4.16Å; L58-L79 HydrophobicContact CD1-CD2 3.95Å; D75-L79 WeakPolarHBondContact O-CB 3.12Å; D75-L79 WeakPolarHBondContact O-CG 3.43Å; D75-L79 PolarHBondContact O-N 2.96Å; E76-L79 PolarHBondContact O-N 2.79Å; D77-L79 VanDerWaalsContact C-N 3.31Å; D77-L79 PolarHBondContact O-N 2.76Å; L79-Y81 VanDerWaalsContact C-N 3.35Å; L79-F82 PolarHBondContact O-N 3.35Å; L79-S83 VanDerWaalsContact O-CB 3.26Å; L79-S83 WeakPolarHBondContact O-CB 3.46Å; L79-S83 PolarHBondContact O-N 3.12Å
80N84.9Confident83.5Confident54 Ų5441 Ų4129%0.28922%0.218SC..Hα-helixtrans-69.2-33.3176.5-73-29.1000111.8E76 D77 K84E76-N80 VanDerWaalsContact O-CB 3.28Å; E76-N80 WeakPolarHBondContact O-CB 3.29Å; E76-N80 PolarHBondContact O-N 3.46Å; E76-N80 PolarHBondContact O-ND2 2.87Å; E76-N80 VanDerWaalsContact O-ND2 3.12Å; D77-N80 PolarHBondContact O-N 2.71Å; N80-K84 WeakPolarHBondContact O-CG 3.25Å; N80-K84 PolarHBondContact O-N 3.15Å
81Y84.5Confident83.7Confident40 Ų4041.3 Ų41.316%0.15722%0.217CC..Hα-helixtrans-67.6-50171.4-175.3-97000111.4I29 A36 Q38 D77 Q78 L79 S83 K84 S85 P187I29-Y81 HydrophobicContact CD1-CG 4.37Å; A36-Y81 PolarHBondContact O-OH 3.34Å; A36-Y81 VanDerWaalsContact O-OH 3.06Å; Q38-Y81 HydrophobicContact CB-CD2 4.32Å; Q38-Y81 HydrophobicContact CB-CE2 3.8Å; Q38-Y81 HydrophobicContact CG-CD2 4.5Å; Q38-Y81 HydrophobicContact CG-CE2 3.99Å; D77-Y81 WeakPolarHBondContact O-CB 3.22Å; D77-Y81 PolarHBondContact O-N 2.75Å; Q78-Y81 PolarHBondContact O-N 3.45Å; L79-Y81 VanDerWaalsContact C-N 3.35Å; Y81-S83 VanDerWaalsContact C-N 3.33Å; Y81-S83 PolarHBondContact O-N 3.1Å; Y81-K84 WeakPolarHBondContact O-CB 3.42Å; Y81-K84 PolarHBondContact O-N 2.92Å; Y81-K84 VanDerWaalsContact O-N 3.12Å; Y81-S85 PolarHBondContact O-N 3.16Å; Y81-S85 PolarHBondContact O-OG 3.41Å; Y81-P187 HydrophobicContact CE1-CB 4.11Å; Y81-P187 HydrophobicContact CE1-CG 4.3Å
82F86.3Confident83.3Confident10 Ų1035.2 Ų35.24%0.04419%0.191CC..Hα-helixtrans-63-37177.6177.1-134.7000112.5L61 Q78 L79 K84 S85 A86 F107L61-F82 HydrophobicContact CD1-CE1 4.45Å; L61-F82 HydrophobicContact CD2-CB 4.43Å; L61-F82 HydrophobicContact CD2-CD1 3.37Å; L61-F82 HydrophobicContact CD2-CE1 3.73Å; L61-F82 HydrophobicContact CD2-CG 4.07Å; L61-F82 HydrophobicContact CG-CD1 4.07Å; L61-F82 HydrophobicContact CG-CE1 3.89Å; Q78-F82 WeakPolarHBondContact O-CB 3.38Å; Q78-F82 PolarHBondContact O-N 3.08Å; L79-F82 PolarHBondContact O-N 3.35Å; F82-K84 VanDerWaalsContact C-N 3.3Å; F82-K84 PolarHBondContact O-N 3.39Å; F82-S85 PolarHBondContact O-N 2.91Å; F82-S85 PolarHBondContact O-OG 2.58Å; F82-A86 HydrophobicContact CD2-CB 4.29Å; F82-A86 HydrophobicContact CE2-CB 3.93Å; F82-A86 HydrophobicContact CZ-CB 4.4Å; F82-A86 WeakPolarHBondContact O-CB 3.28Å; F82-A86 PolarHBondContact O-N 3.42Å; F82-F107 HydrophobicContact CE1-CB 4.39Å; F82-F107 HydrophobicContact CE2-CB 3.54Å; F82-F107 HydrophobicContact CE2-CG 4.3Å; F82-F107 HydrophobicContact CZ-CB 3.41Å; F82-F107 VanDerWaalsContact CZ-CB 3.41Å
83S82.4Confident83.1Confident53 Ų5335.1 Ų35.137%0.37119%0.191SC..Hα-helixtrans-59.5-40.2173.3-176.30000112.3L79 Y81L79-S83 VanDerWaalsContact O-CB 3.26Å; L79-S83 WeakPolarHBondContact O-CB 3.46Å; L79-S83 PolarHBondContact O-N 3.12Å; Y81-S83 VanDerWaalsContact C-N 3.33Å; Y81-S83 PolarHBondContact O-N 3.1Å
84K77.2Confident82.4Confident154 Ų15437.2 Ų37.267%0.6720%0.2SC*.Hα-helixtrans-69.2-47.5175.9-71.2167.7-177.1174.90111.9N80 Y81 F82 A86 S87N80-K84 WeakPolarHBondContact O-CG 3.25Å; N80-K84 PolarHBondContact O-N 3.15Å; Y81-K84 WeakPolarHBondContact O-CB 3.42Å; Y81-K84 PolarHBondContact O-N 2.92Å; Y81-K84 VanDerWaalsContact O-N 3.12Å; F82-K84 VanDerWaalsContact C-N 3.3Å; F82-K84 PolarHBondContact O-N 3.39Å; K84-A86 PolarHBondContact O-N 3.19Å; K84-S87 VanDerWaalsContact O-CB 3.32Å; K84-S87 WeakPolarHBondContact O-CB 3.46Å; K84-S87 PolarHBondContact O-N 2.84Å; K84-S87 PolarHBondContact O-OG 3.19Å
85S79.7Confident81.9Confident63 Ų6339.1 Ų39.144%0.44121%0.207SC..Hα-helixtrans-68.6-33.8-178.662.90000113.1Y81 F82 S87Y81-S85 PolarHBondContact O-N 3.16Å; Y81-S85 PolarHBondContact O-OG 3.41Å; F82-S85 PolarHBondContact O-N 2.91Å; F82-S85 PolarHBondContact O-OG 2.58Å; S85-S87 PolarHBondContact O-N 3.12Å
86A81.1Confident81.8Confident5 Ų537.8 Ų37.84%0.04120%0.2CC..Hα-helixtrans-71.8-10.2176.100000114.5L61 F82 K84 L88 A89 S90 F103L61-A86 HydrophobicContact CD1-CB 4.49Å; F82-A86 HydrophobicContact CD2-CB 4.29Å; F82-A86 HydrophobicContact CE2-CB 3.93Å; F82-A86 HydrophobicContact CZ-CB 4.4Å; F82-A86 WeakPolarHBondContact O-CB 3.28Å; F82-A86 PolarHBondContact O-N 3.42Å; K84-A86 PolarHBondContact O-N 3.19Å; A86-L88 PolarHBondContact O-N 2.88Å; A86-A89 PolarHBondContact O-N 2.74Å; A86-S90 PolarHBondContact O-N 3.08Å; A86-F103 HydrophobicContact CB-CE1 4.48Å
87S75.1Confident81.7Confident55 Ų5535.6 Ų35.639%0.38519%0.191SC..Hα-helixtrans-59.6-45.5-177.162.50000113K84 S85 S90 M91K84-S87 VanDerWaalsContact O-CB 3.32Å; K84-S87 WeakPolarHBondContact O-CB 3.46Å; K84-S87 PolarHBondContact O-N 2.84Å; K84-S87 PolarHBondContact O-OG 3.19Å; S85-S87 PolarHBondContact O-N 3.12Å; S87-S90 VanDerWaalsContact O-CB 3.29Å; S87-S90 WeakPolarHBondContact O-CB 3.38Å; S87-S90 PolarHBondContact O-N 2.85Å; S87-M91 PolarHBondContact O-N 2.58Å
88L74.3Confident81.8Confident58 Ų5830.5 Ų30.530%0.30416%0.164SC..Hα-helixtrans-61.5-45.8175.4-177.572000111.4A86 S90 M91 L92A86-L88 PolarHBondContact O-N 2.88Å; L88-S90 PolarHBondContact O-N 3.47Å; L88-M91 PolarHBondContact O-N 2.77Å; L88-M91 VanDerWaalsContact O-N 3.12Å; L88-L92 HydrophobicContact CG-CD1 4.24Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.45Å
89A80.6Confident82Confident11 Ų1130.5 Ų30.59%0.09116%0.164CC..Hα-helixtrans-63.5-31.9178.300000112.2A86 L93 F103A86-A89 PolarHBondContact O-N 2.74Å; A89-L93 VanDerWaalsContact O-CB 3.24Å; A89-L93 WeakPolarHBondContact O-CB 3.41Å; A89-L93 WeakPolarHBondContact O-CG 3.36Å; A89-L93 PolarHBondContact O-N 3.32Å; A89-F103 HydrophobicContact CB-CD1 4.07Å; A89-F103 HydrophobicContact CB-CD2 4.43Å; A89-F103 HydrophobicContact CB-CE1 3.45Å; A89-F103 VanDerWaalsContact CB-CE1 3.45Å; A89-F103 HydrophobicContact CB-CE2 3.85Å; A89-F103 HydrophobicContact CB-CZ 3.32Å
90S79.5Confident82.1Confident9 Ų931.5 Ų31.56%0.06317%0.169CC..Hα-helixtrans-61.1-54.6168.8-161.20000110.6A86 S87 L88 L92 L93 K94 F100 S1098A86-S90 PolarHBondContact O-N 3.08Å; S87-S90 VanDerWaalsContact O-CB 3.29Å; S87-S90 WeakPolarHBondContact O-CB 3.38Å; S87-S90 PolarHBondContact O-N 2.85Å; L88-S90 PolarHBondContact O-N 3.47Å; S90-L92 PolarHBondContact O-N 2.8Å; S90-L92 VanDerWaalsContact O-N 3.14Å; S90-L93 PolarHBondContact O-N 3.19Å; S90-K94 WeakPolarHBondContact O-CB 3.35Å; S90-K94 PolarHBondContact O-N 2.86Å; S90-F100 VanDerWaalsContact CA-CE2 3.44Å; S90-F100 WeakPolarHBondContact OG-CZ 3.48Å; S90-S1098 PolarHBondContact OG-O 2.88Å; S90-S1098 VanDerWaalsContact OG-O 3.05Å
91M72.7Confident82.3Confident17 Ų1729.3 Ų29.38%0.08416%0.158CC..Hα-helixtrans-57.9-31.7-178.1-163.9-170177.300113.5S87 L88 F153 P1157 K1158S87-M91 PolarHBondContact O-N 2.58Å; L88-M91 PolarHBondContact O-N 2.77Å; L88-M91 VanDerWaalsContact O-N 3.12Å; M91-F153 HydrophobicContact CE-CE2 4.3Å; M91-F153 HydrophobicContact CE-CZ 4.17Å; M91-F153 HydrophobicContact CG-CE2 4.28Å; M91-F153 WeakPolarHBondContact O-CE2 3.29Å; M91-P1157 HydrophobicContact CE-CB 4.12Å; M91-P1157 HydrophobicContact CE-CG 4.11Å; M91-P1157 HydrophobicContact SD-CG 4.28Å; M91-K1158 HydrophobicContact CE-CB 4.05Å; M91-K1158 HydrophobicContact CE-CD 3.82Å; M91-K1158 HydrophobicContact CE-CG 3.67Å
92L77.1Confident82.7Confident10 Ų1027.4 Ų27.45%0.05215%0.151CC..Hα-helixtrans-84.6-44.6178.8-63.1-179.2000113.8L88 S90 F153 A158 L161 M162L88-L92 HydrophobicContact CG-CD1 4.24Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.45Å; S90-L92 PolarHBondContact O-N 2.8Å; S90-L92 VanDerWaalsContact O-N 3.14Å; L92-F153 HydrophobicContact CD2-CD1 4.01Å; L92-F153 HydrophobicContact CD2-CD2 3.65Å; L92-F153 HydrophobicContact CD2-CE1 4.1Å; L92-F153 HydrophobicContact CD2-CE2 3.74Å; L92-F153 HydrophobicContact CD2-CG 3.79Å; L92-F153 HydrophobicContact CD2-CZ 3.96Å; L92-A158 HydrophobicContact CB-CB 4.43Å; L92-A158 WeakPolarHBondContact O-CB 3.36Å; L92-L161 HydrophobicContact CD1-CD2 4.02Å; L92-L161 HydrophobicContact CD2-CD2 3.53Å; L92-L161 HydrophobicContact CG-CD2 4.44Å; L92-M162 HydrophobicContact CD1-CG 4.2Å
93L86Confident82.9Confident0 Ų027.5 Ų27.50%015%0.151CC..Hα-helixtrans-102.2-21.8-165.7-59.3-177.1000114.4A89 S90 R95 C96 F100 F103 A158 M162A89-L93 VanDerWaalsContact O-CB 3.24Å; A89-L93 WeakPolarHBondContact O-CB 3.41Å; A89-L93 WeakPolarHBondContact O-CG 3.36Å; A89-L93 PolarHBondContact O-N 3.32Å; S90-L93 PolarHBondContact O-N 3.19Å; L93-R95 PolarHBondContact O-N 3.24Å; L93-R95 VanDerWaalsContact O-N 3.12Å; L93-C96 PolarHBondContact O-N 2.97Å; L93-C96 VanDerWaalsContact O-N 3.09Å; L93-F100 HydrophobicContact CB-CB 4.3Å; L93-F100 HydrophobicContact CB-CD2 4.44Å; L93-F103 HydrophobicContact CD1-CB 4.14Å; L93-F103 HydrophobicContact CD1-CD2 3.86Å; L93-F103 HydrophobicContact CD1-CG 4.09Å; L93-A158 HydrophobicContact CD2-CB 4.01Å; L93-M162 HydrophobicContact CD1-CE 4.25Å; L93-M162 HydrophobicContact CD1-SD 4.04Å; L93-M162 HydrophobicContact CD2-SD 3.78Å; L93-M162 HydrophobicContact CG-SD 4.16Å
94K77.2Confident83.3Confident43 Ų4326.2 Ų26.219%0.18714%0.138CC..THydrogen-bonded Turntrans-61.6-25.6-170.3-174.3-179.9-172.8-1770114.4S90 C96 F100 D1096 S1098S90-K94 WeakPolarHBondContact O-CB 3.35Å; S90-K94 PolarHBondContact O-N 2.86Å; K94-C96 CarbonylContact O-C 3.57Å; K94-C96 PolarHBondContact O-N 3.47Å; K94-F100 HydrophobicContact CB-CB 4.45Å; K94-F100 HydrophobicContact CB-CD1 4.31Å; K94-F100 HydrophobicContact CB-CG 4.33Å; K94-F100 HydrophobicContact CG-CD1 4.24Å; K94-D1096 WeakPolarHBondContact CE-OD2 3.29Å; K94-D1096 IonicContact NZ-OD1 2.72Å; K94-D1096 IonicContact NZ-OD2 3.5Å; K94-D1096 PolarHBondContact NZ-OD2 2.9Å; K94-S1098 PolarHBondContact NZ-O 3.14Å; K94-S1098 PolarHBondContact NZ-OG 3.28Å
95R79.1Confident83.9Confident40 Ų4019.4 Ų19.415%0.15111%0.109CC..THydrogen-bonded Turntrans-47.3-33.5172.7-175178.8175.3155.65.4112.6L93 V151 T152 M235 D236 T1057L93-R95 PolarHBondContact O-N 3.24Å; L93-R95 VanDerWaalsContact O-N 3.12Å; R95-V151 HydrophobicContact CB-CG1 4.16Å; R95-T152 WeakPolarHBondContact CD-O 3.28Å; R95-T152 PolarHBondContact NE-OG1 3.49Å; R95-T152 PolarHBondContact NH1-O 3.3Å; R95-T152 PolarHBondContact NH1-OG1 3.28Å; R95-T152 PolarHBondContact NH2-OG1 3.33Å; R95-M235 PolarHBondContact NH2-SD 3.41Å; R95-D236 VanDerWaalsContact CD-OD1 3.29Å; R95-D236 WeakPolarHBondContact CD-OD1 3.45Å; R95-D236 IonicContact CZ-OD1 3.36Å; R95-D236 IonicContact CZ-OD2 2.74Å; R95-D236 VanDerWaalsContact NE-CG 3.25Å; R95-D236 IonicContact NE-OD1 3.56Å; R95-D236 PolarHBondContact NE-OD1 3.46Å; R95-D236 IonicContact NE-OD2 3.55Å; R95-D236 PolarHBondContact NE-OD2 3.02Å; R95-D236 IonicContact NH2-OD2 2.7Å; R95-T1057 WeakPolarHBondContact O-CG2 3.19Å; R95-T1057 PolarHBondContact O-OG1 3.2Å
96C87.9Confident84.5Confident0 Ų016.5 Ų16.50%09%0.088CC..SBendtrans-107.6101.6164.4176.50000110.6L93 K94 A98 C99 F100 S147 V151 C232L93-C96 PolarHBondContact O-N 2.97Å; L93-C96 VanDerWaalsContact O-N 3.09Å; K94-C96 CarbonylContact O-C 3.57Å; K94-C96 PolarHBondContact O-N 3.47Å; C96-A98 PolarHBondContact O-N 3.25Å; C96-A98 VanDerWaalsContact O-N 3.13Å; C96-C99 HydrophobicContact CB-CB 3.99Å; C96-C99 WeakPolarHBondContact O-CB 3.23Å; C96-C99 PolarHBondContact O-N 3.09Å; C96-F100 PolarHBondContact O-N 2.86Å; C96-S147 PolarHBondContact SG-O 3.46Å; C96-V151 HydrophobicContact CB-CG1 4.26Å; C96-V151 HydrophobicContact CB-CG2 3.43Å; C96-V151 VanDerWaalsContact CB-CG2 3.43Å; C96-C232 VanDerWaalsContact C-SG 3.57Å; C96-C232 WeakPolarHBondContact CA-SG 3.4Å; C96-C232 HydrophobicContact CB-CB 3.74Å; C96-C232 WeakPolarHBondContact CB-SG 3.4Å; C96-C232 WeakPolarHBondContact SG-CB 3.24Å; C96-C232 CovalentContact SG-SG 2.03Å; C96-C232 PolarHBondContact SG-SG 3.15Å
97P86.3Confident85Confident18 Ų1817.2 Ų17.212%0.1179%0.09CC..Hα-helixtrans-56.2-33.3-177.1-29.636.2000114.3A101 V220P97-A101 WeakPolarHBondContact O-CB 3.32Å; P97-A101 PolarHBondContact O-N 3.16Å; P97-V220 HydrophobicContact CB-CG2 4.17Å
98A90Very high85.8Confident0 Ų014.7 Ų14.70%07%0.073CC..Hα-helixtrans-64.4-45.9175.900000112.2C96 A101 N102 Q215 V220C96-A98 PolarHBondContact O-N 3.25Å; C96-A98 VanDerWaalsContact O-N 3.13Å; A98-A101 PolarHBondContact O-N 2.82Å; A98-N102 WeakPolarHBondContact O-CB 3.37Å; A98-N102 PolarHBondContact O-N 3.3Å; A98-N102 PolarHBondContact O-ND2 3.39Å; A98-N102 PolarHBondContact O-OD1 3.28Å; A98-Q215 WeakPolarHBondContact CB-O 3.29Å; A98-V220 HydrophobicContact CB-CG2 4.3Å
99C92.4Very high86.5Confident0 Ų012 Ų120%06%0.059CC..Hα-helixtrans-58.3-50.4175.2171.70000111.6C96 A101 N102 F103 S147 C148 V151C96-C99 HydrophobicContact CB-CB 3.99Å; C96-C99 WeakPolarHBondContact O-CB 3.23Å; C96-C99 PolarHBondContact O-N 3.09Å; C99-A101 VanDerWaalsContact C-N 3.34Å; C99-A101 PolarHBondContact O-N 3.05Å; C99-N102 PolarHBondContact O-N 2.81Å; C99-F103 PolarHBondContact O-N 2.77Å; C99-S147 WeakPolarHBondContact CB-O 3.13Å; C99-C148 VanDerWaalsContact CA-SG 3.54Å; C99-C148 HydrophobicContact CB-CB 4.05Å; C99-C148 WeakPolarHBondContact CB-SG 3.39Å; C99-C148 WeakPolarHBondContact SG-CA 3.31Å; C99-C148 WeakPolarHBondContact SG-CB 3.41Å; C99-C148 CovalentContact SG-SG 2.03Å; C99-C148 PolarHBondContact SG-SG 2.97Å; C99-V151 HydrophobicContact CB-CG2 4.21Å
100F89.4Confident87Confident22 Ų2211.8 Ų11.810%0.0966%0.056CC..Hα-helixtrans-70.3-28.4179.9-175.6-118.7000113.3S90 L93 K94 C96 F103 R104S90-F100 VanDerWaalsContact CA-CE2 3.44Å; S90-F100 WeakPolarHBondContact OG-CZ 3.48Å; L93-F100 HydrophobicContact CB-CB 4.3Å; L93-F100 HydrophobicContact CB-CD2 4.44Å; K94-F100 HydrophobicContact CB-CB 4.45Å; K94-F100 HydrophobicContact CB-CD1 4.31Å; K94-F100 HydrophobicContact CB-CG 4.33Å; K94-F100 HydrophobicContact CG-CD1 4.24Å; C96-F100 PolarHBondContact O-N 2.86Å; F100-F103 HydrophobicContact CD2-CD1 4.31Å; F100-F103 HydrophobicContact CE2-CD1 4.23Å; F100-R104 HydrophobicContact CD2-CG 4.44Å; F100-R104 HydrophobicContact CE1-CG 4.22Å; F100-R104 HydrophobicContact CE2-CG 4Å; F100-R104 HydrophobicContact CZ-CG 3.89Å; F100-R104 WeakPolarHBondContact O-CB 3.44Å; F100-R104 WeakPolarHBondContact O-CG 3.29Å; F100-R104 PolarHBondContact O-N 3.39Å; F100-R104 PolarHBondContact O-NE 3.02Å
101A89.6Confident87.5Confident8 Ų811.4 Ų11.47%0.0665%0.053CC..Hα-helixtrans-66.2-41.3169.300000111.7P97 A98 C99 R104 L105 Y214 V220P97-A101 WeakPolarHBondContact O-CB 3.32Å; P97-A101 PolarHBondContact O-N 3.16Å; A98-A101 PolarHBondContact O-N 2.82Å; C99-A101 VanDerWaalsContact C-N 3.34Å; C99-A101 PolarHBondContact O-N 3.05Å; A101-R104 PolarHBondContact O-N 3.11Å; A101-L105 WeakPolarHBondContact O-CB 3.42Å; A101-L105 PolarHBondContact O-N 3.2Å; A101-Y214 HydrophobicContact CB-CD2 3.77Å; A101-Y214 HydrophobicContact CB-CE2 4.07Å; A101-V220 HydrophobicContact CB-CG1 4.05Å; A101-V220 HydrophobicContact CB-CG2 4.02Å
102N92.3Very high88.4Confident0 Ų010.6 Ų10.60%05%0.049CC..Hα-helixtrans-68.5-39.7176.8-65.3-17.6000112.2A98 C99 L105 L106 F144 S147 A213 Y214A98-N102 WeakPolarHBondContact O-CB 3.37Å; A98-N102 PolarHBondContact O-N 3.3Å; A98-N102 PolarHBondContact O-ND2 3.39Å; A98-N102 PolarHBondContact O-OD1 3.28Å; C99-N102 PolarHBondContact O-N 2.81Å; N102-L105 WeakPolarHBondContact O-CB 3.41Å; N102-L105 PolarHBondContact O-N 3.46Å; N102-L106 PolarHBondContact O-N 3.13Å; N102-L106 VanDerWaalsContact O-N 3.11Å; N102-F144 HydrophobicContact CB-CB 4.47Å; N102-F144 HydrophobicContact CB-CD2 3.88Å; N102-S147 WeakPolarHBondContact ND2-CB 3.33Å; N102-S147 PolarHBondContact ND2-OG 3.41Å; N102-A213 WeakPolarHBondContact OD1-CA 3.46Å; N102-A213 WeakPolarHBondContact OD1-CB 3.47Å; N102-Y214 PolarHBondContact ND2-O 3.33Å; N102-Y214 PolarHBondContact OD1-N 3.34Å
103F91.5Very high89Confident12 Ų1211 Ų115%0.0535%0.051CC..Hα-helixtrans-57.5-52.4171.6179.3-89.9000111.1A86 A89 L93 C99 F100 L105 L106 F107 F144 M162 L177A86-F103 HydrophobicContact CB-CE1 4.48Å; A89-F103 HydrophobicContact CB-CD1 4.07Å; A89-F103 HydrophobicContact CB-CD2 4.43Å; A89-F103 HydrophobicContact CB-CE1 3.45Å; A89-F103 VanDerWaalsContact CB-CE1 3.45Å; A89-F103 HydrophobicContact CB-CE2 3.85Å; A89-F103 HydrophobicContact CB-CZ 3.32Å; L93-F103 HydrophobicContact CD1-CB 4.14Å; L93-F103 HydrophobicContact CD1-CD2 3.86Å; L93-F103 HydrophobicContact CD1-CG 4.09Å; C99-F103 PolarHBondContact O-N 2.77Å; F100-F103 HydrophobicContact CD2-CD1 4.31Å; F100-F103 HydrophobicContact CE2-CD1 4.23Å; F103-L105 VanDerWaalsContact C-N 3.35Å; F103-L105 PolarHBondContact O-N 3Å; F103-L106 PolarHBondContact O-N 3.45Å; F103-F107 HydrophobicContact CD1-CD2 4.33Å; F103-F107 HydrophobicContact CD2-CD2 4.1Å; F103-F107 AromaticContact CD2-CE2 3.94Å; F103-F107 HydrophobicContact CD2-CE2 3.94Å; F103-F107 AromaticContact CE1-CD2 3.98Å; F103-F107 HydrophobicContact CE1-CD2 3.98Å; F103-F107 HydrophobicContact CE1-CE2 4.45Å; F103-F107 AromaticContact CE2-CD2 3.74Å; F103-F107 HydrophobicContact CE2-CD2 3.74Å; F103-F107 AromaticContact CE2-CE2 3.41Å; F103-F107 HydrophobicContact CE2-CE2 3.41Å; F103-F107 VanDerWaalsContact CE2-CE2 3.41Å; F103-F107 HydrophobicContact CE2-CZ 4.42Å; F103-F107 HydrophobicContact CG-CD2 4.37Å; F103-F107 AromaticContact CZ-CD2 3.66Å; F103-F107 HydrophobicContact CZ-CD2 3.66Å; F103-F107 AromaticContact CZ-CE2 3.7Å; F103-F107 HydrophobicContact CZ-CE2 3.7Å; F103-F107 WeakPolarHBondContact O-CD2 3.35Å; F103-F107 PolarHBondContact O-N 3Å; F103-F144 HydrophobicContact CB-CE2 3.98Å; F103-F144 HydrophobicContact CD2-CE2 4.34Å; F103-F144 HydrophobicContact CD2-CZ 4.19Å; F103-M162 HydrophobicContact CE2-CE 4.48Å; F103-L177 HydrophobicContact CE2-CD2 4.03Å
104R89.7Confident89.1Confident26 Ų2612.7 Ų12.710%0.0986%0.063CC..Hα-helixtrans-62.4-41.1177.5-72.4-176.2-63.3138.8-3.3111.9L61 F100 A101 L106 F107 C108 D226L61-R104 WeakPolarHBondContact O-CD 3.23Å; L61-R104 PolarHBondContact O-NH1 3.38Å; F100-R104 HydrophobicContact CD2-CG 4.44Å; F100-R104 HydrophobicContact CE1-CG 4.22Å; F100-R104 HydrophobicContact CE2-CG 4Å; F100-R104 HydrophobicContact CZ-CG 3.89Å; F100-R104 WeakPolarHBondContact O-CB 3.44Å; F100-R104 WeakPolarHBondContact O-CG 3.29Å; F100-R104 PolarHBondContact O-N 3.39Å; F100-R104 PolarHBondContact O-NE 3.02Å; A101-R104 PolarHBondContact O-N 3.11Å; R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 3.25Å; R104-F107 PolarHBondContact O-N 3Å; R104-C108 WeakPolarHBondContact O-CB 3.35Å; R104-C108 PolarHBondContact O-N 3.24Å; R104-C108 PolarHBondContact O-SG 3.23Å; R104-D226 IonicContact CZ-OD2 2.66Å; R104-D226 IonicContact NH1-OD2 2.69Å; R104-D226 PolarHBondContact NH1-OD2 3.36Å; R104-D226 IonicContact NH2-OD2 2.75Å; R104-D226 PolarHBondContact NH2-OD2 3.2Å
105L90.7Very high89.6Confident11 Ų1114.2 Ų14.26%0.0587%0.073CC..Hα-helixtrans-54.9-46.3177.6177.959000111.9A101 N102 F103 A109 M140 F209 S211 A213A101-L105 WeakPolarHBondContact O-CB 3.42Å; A101-L105 PolarHBondContact O-N 3.2Å; N102-L105 WeakPolarHBondContact O-CB 3.41Å; N102-L105 PolarHBondContact O-N 3.46Å; F103-L105 VanDerWaalsContact C-N 3.35Å; F103-L105 PolarHBondContact O-N 3Å; L105-A109 VanDerWaalsContact O-CB 3.3Å; L105-A109 WeakPolarHBondContact O-CB 3.5Å; L105-A109 PolarHBondContact O-N 3.08Å; L105-M140 HydrophobicContact CD2-CE 4.1Å; L105-M140 HydrophobicContact CD2-SD 4.31Å; L105-M140 HydrophobicContact CG-CE 4.23Å; L105-F209 HydrophobicContact CD1-CZ 4.12Å; L105-F209 HydrophobicContact CG-CE1 4.42Å; L105-F209 HydrophobicContact CG-CZ 4.24Å; L105-S211 WeakPolarHBondContact CD2-OG 3.43Å; L105-A213 HydrophobicContact CD2-CB 4.24Å
106L91.6Very high90Very high2 Ų212.3 Ų12.31%0.017%0.066CC..Hα-helixtrans-61.6-55.6176.7-176.369.1000112.2N102 F103 R104 A109 M110 Y134 L136 M140 F192N102-L106 PolarHBondContact O-N 3.13Å; N102-L106 VanDerWaalsContact O-N 3.11Å; F103-L106 PolarHBondContact O-N 3.45Å; R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 3.25Å; L106-A109 PolarHBondContact O-N 2.93Å; L106-M110 PolarHBondContact O-N 2.96Å; L106-M110 VanDerWaalsContact O-N 3.09Å; L106-Y134 HydrophobicContact CD1-CD1 4.43Å; L106-Y134 HydrophobicContact CD1-CE1 3.53Å; L106-Y134 HydrophobicContact CG-CE1 4.05Å; L106-Y134 PolarHBondContact O-OH 2.55Å; L106-L136 HydrophobicContact CD1-CD1 3.85Å; L106-L136 HydrophobicContact CD1-CD2 3.6Å; L106-L136 HydrophobicContact CD1-CG 4.39Å; L106-M140 HydrophobicContact CB-CE 4.38Å; L106-F192 HydrophobicContact CD1-CE1 4.36Å; L106-F192 HydrophobicContact CD2-CE1 4.03Å; L106-F192 HydrophobicContact CD2-CZ 4.4Å; L106-F192 HydrophobicContact CG-CE1 4.45Å
107F91.3Very high89.9Confident19 Ų1914.4 Ų14.48%0.0838%0.083CC..Hα-helixtrans-77.6-26.5-174.4-73.7-79.6000114.2F82 F103 R104 M110 T111 L177 I190 F192F82-F107 HydrophobicContact CE1-CB 4.39Å; F82-F107 HydrophobicContact CE2-CB 3.54Å; F82-F107 HydrophobicContact CE2-CG 4.3Å; F82-F107 HydrophobicContact CZ-CB 3.41Å; F82-F107 VanDerWaalsContact CZ-CB 3.41Å; F103-F107 HydrophobicContact CD1-CD2 4.33Å; F103-F107 HydrophobicContact CD2-CD2 4.1Å; F103-F107 AromaticContact CD2-CE2 3.94Å; F103-F107 HydrophobicContact CD2-CE2 3.94Å; F103-F107 AromaticContact CE1-CD2 3.98Å; F103-F107 HydrophobicContact CE1-CD2 3.98Å; F103-F107 HydrophobicContact CE1-CE2 4.45Å; F103-F107 AromaticContact CE2-CD2 3.74Å; F103-F107 HydrophobicContact CE2-CD2 3.74Å; F103-F107 AromaticContact CE2-CE2 3.41Å; F103-F107 HydrophobicContact CE2-CE2 3.41Å; F103-F107 VanDerWaalsContact CE2-CE2 3.41Å; F103-F107 HydrophobicContact CE2-CZ 4.42Å; F103-F107 HydrophobicContact CG-CD2 4.37Å; F103-F107 AromaticContact CZ-CD2 3.66Å; F103-F107 HydrophobicContact CZ-CD2 3.66Å; F103-F107 AromaticContact CZ-CE2 3.7Å; F103-F107 HydrophobicContact CZ-CE2 3.7Å; F103-F107 WeakPolarHBondContact O-CD2 3.35Å; F103-F107 PolarHBondContact O-N 3Å; R104-F107 PolarHBondContact O-N 3Å; F107-M110 HydrophobicContact CD1-CE 3.93Å; F107-M110 HydrophobicContact CD1-SD 4.28Å; F107-M110 HydrophobicContact CE1-CE 4.45Å; F107-T111 VanDerWaalsContact O-CB 3.26Å; F107-T111 WeakPolarHBondContact O-CB 3.5Å; F107-T111 PolarHBondContact O-N 3.44Å; F107-T111 PolarHBondContact O-OG1 2.91Å; F107-L177 HydrophobicContact CE2-CD2 4.35Å; F107-L177 HydrophobicContact CZ-CD2 4.25Å; F107-I190 HydrophobicContact CE1-CD1 4.12Å; F107-F192 HydrophobicContact CZ-CZ 4.37Å
108C91.6Very high89.9Confident3 Ų316.7 Ų16.72%0.029%0.094CC..Hα-helixtrans-67.5-40.5169.9-72.20000111.8C62 Y65 R104 T111 C112C62-C108 WeakPolarHBondContact CA-SG 3.43Å; C62-C108 HydrophobicContact CB-CB 3.72Å; C62-C108 WeakPolarHBondContact CB-SG 3.49Å; C62-C108 WeakPolarHBondContact SG-CB 3.33Å; C62-C108 CovalentContact SG-SG 2.03Å; C62-C108 PolarHBondContact SG-SG 2.84Å; Y65-C108 HydrophobicContact CD2-CB 4.1Å; Y65-C108 HydrophobicContact CE2-CB 4Å; R104-C108 WeakPolarHBondContact O-CB 3.35Å; R104-C108 PolarHBondContact O-N 3.24Å; R104-C108 PolarHBondContact O-SG 3.23Å; C108-T111 PolarHBondContact O-N 2.98Å; C108-C112 PolarHBondContact O-N 3.48Å
109A90.8Very high89.8Confident0 Ų017.3 Ų17.30%010%0.096CC..Hα-helixtrans-64.2-45.4175.200000111.2Y65 L105 L106 T111 D113 F119 F209Y65-A109 WeakPolarHBondContact OH-CA 3.24Å; Y65-A109 WeakPolarHBondContact OH-CB 3.35Å; L105-A109 VanDerWaalsContact O-CB 3.3Å; L105-A109 WeakPolarHBondContact O-CB 3.5Å; L105-A109 PolarHBondContact O-N 3.08Å; L106-A109 PolarHBondContact O-N 2.93Å; A109-T111 PolarHBondContact O-N 3.27Å; A109-D113 WeakPolarHBondContact O-CB 3.37Å; A109-D113 PolarHBondContact O-N 3.17Å; A109-F119 HydrophobicContact CB-CE2 4.49Å; A109-F119 HydrophobicContact CB-CZ 4.27Å; A109-F209 HydrophobicContact CB-CD2 3.85Å; A109-F209 HydrophobicContact CB-CE1 4.1Å; A109-F209 HydrophobicContact CB-CE2 3.25Å; A109-F209 HydrophobicContact CB-CG 4.49Å; A109-F209 HydrophobicContact CB-CZ 3.39Å
110M91.2Very high89.7Confident7 Ų717.5 Ų17.53%0.03410%0.098CC..Hα-helixtrans-55.6-51.3172-168.2-1707800111.9W26 L106 F107 Q116 I120 I132 Y134 F188 I190W26-M110 HydrophobicContact CH2-CE 4.27Å; W26-M110 HydrophobicContact CH2-CG 3.95Å; W26-M110 HydrophobicContact CH2-SD 4.43Å; W26-M110 HydrophobicContact CZ2-CE 4.5Å; W26-M110 HydrophobicContact CZ2-CG 4.18Å; W26-M110 VanDerWaalsContact CZ2-O 3.22Å; W26-M110 WeakPolarHBondContact CZ2-O 3.38Å; L106-M110 PolarHBondContact O-N 2.96Å; L106-M110 VanDerWaalsContact O-N 3.09Å; F107-M110 HydrophobicContact CD1-CE 3.93Å; F107-M110 HydrophobicContact CD1-SD 4.28Å; F107-M110 HydrophobicContact CE1-CE 4.45Å; M110-Q116 PolarHBondContact O-NE2 2.7Å; M110-I120 HydrophobicContact CG-CD1 4.04Å; M110-I132 HydrophobicContact CG-CD1 3.96Å; M110-I132 HydrophobicContact SD-CD1 3.72Å; M110-Y134 HydrophobicContact CB-CD1 4.31Å; M110-Y134 HydrophobicContact CB-CE1 3.84Å; M110-Y134 HydrophobicContact CG-CD1 4.23Å; M110-Y134 HydrophobicContact CG-CE1 4.26Å; M110-Y134 HydrophobicContact SD-CD1 4.41Å; M110-F188 HydrophobicContact CE-CZ 4.46Å; M110-I190 HydrophobicContact CE-CD1 4.12Å; M110-I190 HydrophobicContact SD-CD1 3.66Å; M110-I190 HydrophobicContact SD-CG1 4.29Å
111T90.1Very high89.6Confident1 Ų119.8 Ų19.81%0.00611%0.108CC..Hα-helixtrans-77.9-38.7-168.2-52.40000113.8W26 C74 F107 C108 A109 Q116W26-T111 PolarHBondContact NE1-O 3.43Å; C74-T111 HydrophobicContact CB-CG2 4.39Å; C74-T111 WeakPolarHBondContact CB-O 3.41Å; F107-T111 VanDerWaalsContact O-CB 3.26Å; F107-T111 WeakPolarHBondContact O-CB 3.5Å; F107-T111 PolarHBondContact O-N 3.44Å; F107-T111 PolarHBondContact O-OG1 2.91Å; C108-T111 PolarHBondContact O-N 2.98Å; A109-T111 PolarHBondContact O-N 3.27Å; T111-Q116 PolarHBondContact O-NE2 2.9Å
112C90.6Very high89.6Confident0 Ų021.3 Ų21.30%012%0.117CC..Hα-helixtrans-131-8.3-163.5-71.40000116.4L58 V72 C73 C74 C108L58-C112 HydrophobicContact CD1-CB 4.35Å; V72-C112 WeakPolarHBondContact CA-O 3.39Å; V72-C112 HydrophobicContact CB-CB 4.41Å; V72-C112 WeakPolarHBondContact CB-O 3.43Å; V72-C112 HydrophobicContact CG1-CB 4.49Å; C73-C112 PolarHBondContact N-O 3.45Å; C73-C112 VanDerWaalsContact N-O 3.1Å; C74-C112 HydrophobicContact CB-CB 4.02Å; C74-C112 WeakPolarHBondContact CB-SG 3.2Å; C74-C112 WeakPolarHBondContact SG-CB 3.34Å; C74-C112 CovalentContact SG-SG 2.04Å; C74-C112 PolarHBondContact SG-SG 2.92Å; C108-C112 PolarHBondContact O-N 3.48Å
113D90.1Very high89.4Confident18 Ų1824.5 Ų24.510%0.09614%0.137CC..  trans-56134.1-175.6-166.8-67000111.2Y65 C73 A109 N115 Q116 F119Y65-D113 HydrophobicContact CE1-CB 3.88Å; Y65-D113 WeakPolarHBondContact CE1-OD2 3.24Å; Y65-D113 VanDerWaalsContact CZ-OD2 3.29Å; Y65-D113 PolarHBondContact OH-OD2 3.06Å; C73-D113 WeakPolarHBondContact CB-O 3.43Å; C73-D113 PolarHBondContact SG-O 3.01Å; A109-D113 WeakPolarHBondContact O-CB 3.37Å; A109-D113 PolarHBondContact O-N 3.17Å; D113-N115 PolarHBondContact O-N 3.25Å; D113-N115 PolarHBondContact OD1-N 2.88Å; D113-N115 PolarHBondContact OD1-ND2 3.33Å; D113-Q116 WeakPolarHBondContact O-CG 2.98Å; D113-Q116 PolarHBondContact O-N 2.79Å; D113-F119 HydrophobicContact CB-CE1 4.34Å; D113-F119 HydrophobicContact CB-CZ 3.76Å
114P87.4Confident89Confident37 Ų3727.4 Ų27.424%0.2415%0.152CC..THydrogen-bonded Turntrans-62.3-8.3178.620.1-28.9000115.1D23 A47D23-P114 WeakPolarHBondContact CB-O 3.19Å; A47-P114 HydrophobicContact CB-CB 3.8Å
115N87.8Confident88.7Confident75 Ų7532 Ų3240%0.40117%0.173SC..THydrogen-bonded Turntrans-129.831.1-176.3-35.5-101.9000113.1D23 D113 A117 L118D23-N115 CarbonylContact O-C 3.53Å; D23-N115 VanDerWaalsContact O-C 3.26Å; D23-N115 WeakPolarHBondContact O-CA 3.28Å; D113-N115 PolarHBondContact O-N 3.25Å; D113-N115 PolarHBondContact OD1-N 2.88Å; D113-N115 PolarHBondContact OD1-ND2 3.33Å; N115-A117 PolarHBondContact O-N 2.85Å; N115-L118 HydrophobicContact CB-CD1 3.65Å; N115-L118 HydrophobicContact CB-CG 4.05Å; N115-L118 WeakPolarHBondContact O-CB 3.41Å; N115-L118 WeakPolarHBondContact O-CG 3.31Å; N115-L118 PolarHBondContact O-N 3.13Å
116Q88.5Confident88.3Confident0 Ų035.2 Ų35.20%021%0.209CC..G310 helixtrans-37.9-43178.8-79.9166.4-16.400114.8D23 I25 C73 M110 T111 D113 L118 F119 I120D23-Q116 PolarHBondContact O-N 3.3Å; D23-Q116 VanDerWaalsContact O-N 3.09Å; I25-Q116 HydrophobicContact CG1-CB 4.08Å; I25-Q116 HydrophobicContact CG1-CG 4.46Å; I25-Q116 HydrophobicContact CG2-CB 4.36Å; C73-Q116 VanDerWaalsContact CB-CD 3.4Å; C73-Q116 HydrophobicContact CB-CG 4.24Å; C73-Q116 VanDerWaalsContact CB-OE1 3.24Å; M110-Q116 PolarHBondContact O-NE2 2.7Å; T111-Q116 PolarHBondContact O-NE2 2.9Å; D113-Q116 WeakPolarHBondContact O-CG 2.98Å; D113-Q116 PolarHBondContact O-N 2.79Å; Q116-L118 PolarHBondContact O-N 3.41Å; Q116-F119 PolarHBondContact O-N 2.88Å; Q116-F119 VanDerWaalsContact O-N 3.1Å; Q116-I120 HydrophobicContact CB-CD1 4.08Å; Q116-I120 HydrophobicContact CG-CD1 4.02Å; Q116-I120 PolarHBondContact O-N 3.48Å
117A86.1Confident87.9Confident43 Ų4343.1 Ų43.136%0.35524%0.243SC..G310 helixtrans-63.3-8.1-176.500000114.7S22 D23 I25 N115S22-A117 WeakPolarHBondContact O-CB 3.2Å; D23-A117 PolarHBondContact O-N 2.67Å; I25-A117 HydrophobicContact CG2-CB 4.13Å; N115-A117 PolarHBondContact O-N 2.85Å
118L85.1Confident87.7Confident67 Ų6744.9 Ų44.935%0.35125%0.253SS..G310 helixtrans-76.5-27.4173.2-67.9179.9000113.8N115 Q116 I206 R207N115-L118 HydrophobicContact CB-CD1 3.65Å; N115-L118 HydrophobicContact CB-CG 4.05Å; N115-L118 WeakPolarHBondContact O-CB 3.41Å; N115-L118 WeakPolarHBondContact O-CG 3.31Å; N115-L118 PolarHBondContact O-N 3.13Å; Q116-L118 PolarHBondContact O-N 3.41Å; L118-I206 WeakPolarHBondContact O-CG2 3.39Å; L118-R207 HydrophobicContact CB-CB 4.41Å; L118-R207 PolarHBondContact O-N 3.43Å; L118-R207 VanDerWaalsContact O-O 3.09Å
119F88Confident87.5Confident12 Ų1244.8 Ų44.85%0.05325%0.252CS..THydrogen-bonded Turntrans-132.7-8-17250.4-98.6000115.2A109 D113 Q116 Y134 T135 R207 F209A109-F119 HydrophobicContact CB-CE2 4.49Å; A109-F119 HydrophobicContact CB-CZ 4.27Å; D113-F119 HydrophobicContact CB-CE1 4.34Å; D113-F119 HydrophobicContact CB-CZ 3.76Å; Q116-F119 PolarHBondContact O-N 2.88Å; Q116-F119 VanDerWaalsContact O-N 3.1Å; F119-Y134 AromaticContact CD2-CD2 3.77Å; F119-Y134 HydrophobicContact CD2-CD2 3.77Å; F119-Y134 AromaticContact CD2-CE2 3.29Å; F119-Y134 HydrophobicContact CD2-CE2 3.29Å; F119-Y134 HydrophobicContact CE2-CD2 4.48Å; F119-Y134 AromaticContact CE2-CE2 3.75Å; F119-Y134 HydrophobicContact CE2-CE2 3.75Å; F119-Y134 HydrophobicContact CG-CE2 4.22Å; F119-T135 PolarHBondContact O-N 2.7Å; F119-R207 WeakPolarHBondContact CB-O 3.39Å; F119-F209 HydrophobicContact CB-CB 4.16Å; F119-F209 HydrophobicContact CD1-CB 4.34Å; F119-F209 HydrophobicContact CD1-CD2 4.37Å; F119-F209 HydrophobicContact CD2-CB 4.21Å; F119-F209 HydrophobicContact CE1-CD2 4.1Å; F119-F209 HydrophobicContact CE2-CD2 4.47Å; F119-F209 HydrophobicContact CG-CB 4.01Å; F119-F209 HydrophobicContact CZ-CD2 4.14Å
120I89.6Confident87.2Confident5 Ų548.1 Ų48.13%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-116.6124.6177.4-42.3176.3000111.1I25 M110 Q116 I132 T133 Y134I25-I120 HydrophobicContact CD1-CB 3.85Å; I25-I120 HydrophobicContact CD1-CD1 3.93Å; I25-I120 HydrophobicContact CD1-CG2 3.53Å; M110-I120 HydrophobicContact CG-CD1 4.04Å; Q116-I120 HydrophobicContact CB-CD1 4.08Å; Q116-I120 HydrophobicContact CG-CD1 4.02Å; Q116-I120 PolarHBondContact O-N 3.48Å; I120-I132 HydrophobicContact CG2-CB 3.68Å; I120-I132 HydrophobicContact CG2-CD1 3.76Å; I120-I132 HydrophobicContact CG2-CG1 4.22Å; I120-I132 HydrophobicContact CG2-CG2 3.93Å; I120-T133 WeakPolarHBondContact CA-O 3.24Å; I120-Y134 HydrophobicContact CG1-CD2 4.3Å
121E88.7Confident87.1Confident69 Ų6949.1 Ų49.132%0.32228%0.276SS..EExtended strand (participates in β ladder)trans-101.3111.4167.2-64.8-174.2166.800109.7I132 T133 K201 I206E121-I132 CarbonylContact O-C 3.37Å; E121-I132 WeakPolarHBondContact O-CA 3.42Å; E121-T133 PolarHBondContact N-O 3.41Å; E121-T133 PolarHBondContact O-N 2.66Å; E121-K201 WeakPolarHBondContact OE1-CD 3.48Å; E121-K201 IonicContact OE1-NZ 3.69Å; E121-K201 PolarHBondContact OE1-NZ 2.93Å; E121-K201 IonicContact OE2-NZ 3.96Å; E121-K201 PolarHBondContact OE2-NZ 3.31Å; E121-I206 VanDerWaalsContact OE1-CD1 3.26Å; E121-I206 WeakPolarHBondContact OE1-CD1 3.43Å
122P88Confident87.1Confident40 Ų4049.2 Ų49.226%0.2628%0.276SS..EExtended strand (participates in β ladder)trans-88.1139-178.534.2-36000113.7I25 I124 V129 I132I25-P122 HydrophobicContact CB-CG 4.11Å; I25-P122 HydrophobicContact CD1-CB 4.21Å; I25-P122 HydrophobicContact CG2-CG 4.13Å; P122-I124 HydrophobicContact CB-CD1 4.47Å; P122-I124 HydrophobicContact CB-CG1 4.17Å; P122-I124 HydrophobicContact CG-CD1 4.11Å; P122-I124 HydrophobicContact CG-CG1 4.35Å; P122-V129 HydrophobicContact CB-CG1 4.2Å; P122-I132 HydrophobicContact CB-CG2 4.3Å
123T89.5Confident87.2Confident67 Ų6750.6 Ų50.641%0.41129%0.285SS..EExtended strand (participates in β ladder)trans-91.9113.8166.4-47.40000108.6E130 S131T123-E130 PolarHBondContact O-N 3.5Å; T123-S131 WeakPolarHBondContact CB-O 3.43Å; T123-S131 VanDerWaalsContact CB-OG 3.25Å; T123-S131 WeakPolarHBondContact CB-OG 3.28Å; T123-S131 PolarHBondContact N-O 3.05Å; T123-S131 PolarHBondContact OG1-OG 3.01Å
124I83.4Confident87.3Confident73 Ų7349.7 Ų49.737%0.37428%0.28SS..EExtended strand (participates in β ladder)trans-110.7132.1-171-58.7158.8000110.7S42 P122 L128S42-I124 WeakPolarHBondContact OG-CD1 3.3Å; P122-I124 HydrophobicContact CB-CD1 4.47Å; P122-I124 HydrophobicContact CB-CG1 4.17Å; P122-I124 HydrophobicContact CG-CD1 4.11Å; P122-I124 HydrophobicContact CG-CG1 4.35Å; I124-L128 WeakPolarHBondContact CA-O 3.33Å
125K82.6Confident87.5Confident124 Ų12448.1 Ų48.154%0.53927%0.269SS..EExtended strand (participates in β ladder)trans-126.5105.3178-171.5163.8172.3-1800110K127 L128 E130K125-K127 PolarHBondContact O-N 3.26Å; K125-K127 VanDerWaalsContact O-N 3.09Å; K125-L128 PolarHBondContact N-O 3.3Å; K125-L128 PolarHBondContact O-N 3.39Å; K125-L128 VanDerWaalsContact O-N 3.09Å; K125-E130 HydrophobicContact CB-CB 4.27Å; K125-E130 VanDerWaalsContact CD-OE1 3.24Å; K125-E130 WeakPolarHBondContact CD-OE1 3.11Å; K125-E130 WeakPolarHBondContact CD-OE2 3.2Å; K125-E130 WeakPolarHBondContact CE-OE1 3.45Å; K125-E130 VanDerWaalsContact NZ-CD 3.32Å; K125-E130 IonicContact NZ-OE1 3.35Å; K125-E130 PolarHBondContact NZ-OE1 3.09Å; K125-E130 IonicContact NZ-OE2 3.01Å; K125-E130 PolarHBondContact NZ-OE2 2.76Å
126G82.6Confident87.6Confident78 Ų7844.6 Ų44.680%0.80425%0.251SS*.THydrogen-bonded Turntrans66-105.7-170.300000111
127K84Confident87.7Confident167 Ų16745.4 Ų45.473%0.72626%0.256SS*.THydrogen-bonded Turntrans-109.8-9.1173.9-65.3-174.1-179.9179.70113.9S42 K125S42-K127 PolarHBondContact N-O 2.82Å; K125-K127 PolarHBondContact O-N 3.26Å; K125-K127 VanDerWaalsContact O-N 3.09Å
128L85.5Confident87.8Confident57 Ų5744.7 Ų44.730%0.29825%0.246SC..EExtended strand (participates in β ladder)trans-91.2139.2-173.8-66.9149.3000109.6C30 K39 I124 K125 E130C30-L128 HydrophobicContact CB-CD2 3.59Å; C30-L128 HydrophobicContact CB-CG 4.46Å; K39-L128 HydrophobicContact CB-CD2 3.89Å; I124-L128 WeakPolarHBondContact CA-O 3.33Å; K125-L128 PolarHBondContact N-O 3.3Å; K125-L128 PolarHBondContact O-N 3.39Å; K125-L128 VanDerWaalsContact O-N 3.09Å; L128-E130 PolarHBondContact O-N 3.35Å
129V87.5Confident88Confident0 Ų046.3 Ų46.30%025%0.252CS..EExtended strand (participates in β ladder)trans-78.2116.5162.1-179.20000107.4W26 Y40 P122 I132W26-V129 HydrophobicContact CB-CG2 4.48Å; W26-V129 HydrophobicContact CE3-CB 4.5Å; W26-V129 HydrophobicContact CE3-CG1 4.29Å; W26-V129 HydrophobicContact CE3-CG2 4.25Å; W26-V129 HydrophobicContact CZ3-CG1 4.37Å; Y40-V129 PolarHBondContact O-N 2.82Å; Y40-V129 VanDerWaalsContact O-N 3.08Å; P122-V129 HydrophobicContact CB-CG1 4.2Å; V129-I132 HydrophobicContact CG1-CG2 3.63Å
130E85.2Confident88.1Confident70 Ų7045.8 Ų45.833%0.32725%0.249SC..EExtended strand (participates in β ladder)trans-89.6-36.8-175.1-178.6161.5-118.300112.1T123 K125 L128 F188T123-E130 PolarHBondContact O-N 3.5Å; K125-E130 HydrophobicContact CB-CB 4.27Å; K125-E130 VanDerWaalsContact CD-OE1 3.24Å; K125-E130 WeakPolarHBondContact CD-OE1 3.11Å; K125-E130 WeakPolarHBondContact CD-OE2 3.2Å; K125-E130 WeakPolarHBondContact CE-OE1 3.45Å; K125-E130 VanDerWaalsContact NZ-CD 3.32Å; K125-E130 IonicContact NZ-OE1 3.35Å; K125-E130 PolarHBondContact NZ-OE1 3.09Å; K125-E130 IonicContact NZ-OE2 3.01Å; K125-E130 PolarHBondContact NZ-OE2 2.76Å; L128-E130 PolarHBondContact O-N 3.35Å; E130-F188 WeakPolarHBondContact O-CB 3.21Å
131S88.3Confident88.2Confident29 Ų2945.7 Ų45.720%0.20325%0.249CC..EExtended strand (participates in β ladder)trans-156.5167.8172.962.40000110.3T123 D189T123-S131 WeakPolarHBondContact CB-O 3.43Å; T123-S131 VanDerWaalsContact CB-OG 3.25Å; T123-S131 WeakPolarHBondContact CB-OG 3.28Å; T123-S131 PolarHBondContact N-O 3.05Å; T123-S131 PolarHBondContact OG1-OG 3.01Å; S131-D189 CarbonylContact C-O 3.39Å; S131-D189 WeakPolarHBondContact CA-O 3.2Å; S131-D189 VanDerWaalsContact CB-O 3.27Å; S131-D189 WeakPolarHBondContact CB-O 3.28Å
132I91.2Very high88.3Confident2 Ų245.6 Ų45.61%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-133.6156.617365172.7000112.1I25 W26 M110 I120 E121 P122 V129 F188 D189 I190 R191I25-I132 HydrophobicContact CD1-CG2 4.43Å; W26-I132 HydrophobicContact CH2-CD1 4.13Å; W26-I132 HydrophobicContact CZ3-CD1 4.33Å; W26-I132 HydrophobicContact CZ3-CG2 3.79Å; M110-I132 HydrophobicContact CG-CD1 3.96Å; M110-I132 HydrophobicContact SD-CD1 3.72Å; I120-I132 HydrophobicContact CG2-CB 3.68Å; I120-I132 HydrophobicContact CG2-CD1 3.76Å; I120-I132 HydrophobicContact CG2-CG1 4.22Å; I120-I132 HydrophobicContact CG2-CG2 3.93Å; E121-I132 CarbonylContact O-C 3.37Å; E121-I132 WeakPolarHBondContact O-CA 3.42Å; P122-I132 HydrophobicContact CB-CG2 4.3Å; V129-I132 HydrophobicContact CG1-CG2 3.63Å; I132-F188 HydrophobicContact CD1-CE2 3.96Å; I132-F188 HydrophobicContact CG1-CD2 4.43Å; I132-F188 HydrophobicContact CG1-CE2 4.02Å; I132-F188 HydrophobicContact CG2-CE2 4.18Å; I132-D189 PolarHBondContact N-O 3.03Å; I132-I190 HydrophobicContact CD1-CB 4.5Å; I132-I190 HydrophobicContact CD1-CG1 4.07Å; I132-I190 HydrophobicContact CD1-CG2 4Å; I132-I190 HydrophobicContact CG1-CB 4.16Å; I132-I190 HydrophobicContact CG1-CG1 3.97Å; I132-I190 HydrophobicContact CG1-CG2 3.95Å; I132-R191 PolarHBondContact O-N 3.37Å
133T92.2Very high88.4Confident29 Ų2944.7 Ų44.718%0.17824%0.244CC..EExtended strand (participates in β ladder)trans-107.2116.6160.5-56.50000109I120 E121 R191 N193I120-T133 WeakPolarHBondContact CA-O 3.24Å; E121-T133 PolarHBondContact N-O 3.41Å; E121-T133 PolarHBondContact O-N 2.66Å; T133-R191 CarbonylContact C-O 3.58Å; T133-R191 VanDerWaalsContact CA-O 3.3Å; T133-R191 WeakPolarHBondContact CA-O 3.29Å; T133-N193 HydrophobicContact CG2-CB 3.96Å
134Y92.2Very high88.6Confident0 Ų041.7 Ų41.70%023%0.226CC..EExtended strand (participates in β ladder)trans-105.6113.9-178.8-174.8-174.2000109.3L106 M110 F119 I120 L136 R191 F192 N193 F209L106-Y134 HydrophobicContact CD1-CD1 4.43Å; L106-Y134 HydrophobicContact CD1-CE1 3.53Å; L106-Y134 HydrophobicContact CG-CE1 4.05Å; L106-Y134 PolarHBondContact O-OH 2.55Å; M110-Y134 HydrophobicContact CB-CD1 4.31Å; M110-Y134 HydrophobicContact CB-CE1 3.84Å; M110-Y134 HydrophobicContact CG-CD1 4.23Å; M110-Y134 HydrophobicContact CG-CE1 4.26Å; M110-Y134 HydrophobicContact SD-CD1 4.41Å; F119-Y134 AromaticContact CD2-CD2 3.77Å; F119-Y134 HydrophobicContact CD2-CD2 3.77Å; F119-Y134 AromaticContact CD2-CE2 3.29Å; F119-Y134 HydrophobicContact CD2-CE2 3.29Å; F119-Y134 HydrophobicContact CE2-CD2 4.48Å; F119-Y134 AromaticContact CE2-CE2 3.75Å; F119-Y134 HydrophobicContact CE2-CE2 3.75Å; F119-Y134 HydrophobicContact CG-CE2 4.22Å; I120-Y134 HydrophobicContact CG1-CD2 4.3Å; Y134-L136 HydrophobicContact CD1-CD2 4.31Å; Y134-L136 HydrophobicContact CD2-CD2 3.8Å; Y134-L136 HydrophobicContact CE1-CD2 4.01Å; Y134-L136 HydrophobicContact CE2-CD2 3.44Å; Y134-L136 VanDerWaalsContact CE2-CD2 3.44Å; Y134-L136 HydrophobicContact CG-CD2 4.21Å; Y134-R191 PolarHBondContact N-O 2.95Å; Y134-F192 HydrophobicContact CD1-CD1 4.06Å; Y134-F192 AromaticContact CD1-CE1 3.63Å; Y134-F192 HydrophobicContact CD1-CE1 3.63Å; Y134-F192 HydrophobicContact CE1-CE1 4.21Å; Y134-F192 HydrophobicContact CG-CD1 4.44Å; Y134-F192 HydrophobicContact CG-CE1 4.43Å; Y134-F192 WeakPolarHBondContact O-CA 3.47Å; Y134-N193 PolarHBondContact O-N 2.98Å; Y134-F209 HydrophobicContact CE2-CB 3.75Å; Y134-F209 HydrophobicContact CE2-CG 4.24Å; Y134-F209 WeakPolarHBondContact OH-CD1 3.48Å
135T91.3Very high89.1Confident3 Ų339.9 Ų39.92%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-92.8121.9-175.8-51.30000111.6F119 N193 V195 I199 P208 F209F119-T135 PolarHBondContact O-N 2.7Å; T135-N193 CarbonylContact C-O 3.14Å; T135-N193 VanDerWaalsContact CA-O 3.28Å; T135-N193 WeakPolarHBondContact CA-O 3.43Å; T135-V195 HydrophobicContact CG2-CG2 3.75Å; T135-I199 HydrophobicContact CG2-CD1 3.85Å; T135-P208 HydrophobicContact CG2-CB 3.92Å; T135-F209 PolarHBondContact O-N 3.24Å
136L90.2Very high89.5Confident2 Ų237.3 Ų37.31%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-116.5159.9-177.2-55.3-176.1000111.6L106 Y134 L174 F192 N193 V195 F209L106-L136 HydrophobicContact CD1-CD1 3.85Å; L106-L136 HydrophobicContact CD1-CD2 3.6Å; L106-L136 HydrophobicContact CD1-CG 4.39Å; Y134-L136 HydrophobicContact CD1-CD2 4.31Å; Y134-L136 HydrophobicContact CD2-CD2 3.8Å; Y134-L136 HydrophobicContact CE1-CD2 4.01Å; Y134-L136 HydrophobicContact CE2-CD2 3.44Å; Y134-L136 VanDerWaalsContact CE2-CD2 3.44Å; Y134-L136 HydrophobicContact CG-CD2 4.21Å; L136-L174 HydrophobicContact CD1-CD2 4.48Å; L136-F192 HydrophobicContact CD1-CD1 3.81Å; L136-F192 HydrophobicContact CD1-CE1 4.43Å; L136-F192 HydrophobicContact CG-CD1 4.35Å; L136-N193 PolarHBondContact N-O 2.96Å; L136-V195 WeakPolarHBondContact O-CG2 3.48Å; L136-V195 PolarHBondContact O-N 2.95Å; L136-F209 HydrophobicContact CD2-CB 4.09Å; L136-F209 HydrophobicContact CD2-CD1 4.18Å
137T89.7Confident90Very high17 Ų1733.7 Ų33.710%0.10417%0.17CC..EExtended strand (participates in β ladder)trans-79.2149161.854.80000112H139 M140 A141 V195 P208 F209 D210T137-H139 PolarHBondContact O-N 3.42Å; T137-M140 PolarHBondContact O-N 3.27Å; T137-M140 VanDerWaalsContact O-N 3.14Å; T137-M140 VanDerWaalsContact OG1-CB 3.29Å; T137-M140 WeakPolarHBondContact OG1-CB 3.47Å; T137-M140 PolarHBondContact OG1-N 2.99Å; T137-M140 VanDerWaalsContact OG1-N 3.14Å; T137-A141 PolarHBondContact O-N 2.95Å; T137-V195 WeakPolarHBondContact CA-O 3.43Å; T137-P208 HydrophobicContact CG2-CB 4.11Å; T137-P208 HydrophobicContact CG2-CG 3.93Å; T137-F209 PolarHBondContact N-O 2.94Å; T137-F209 PolarHBondContact OG1-O 2.92Å; T137-D210 HydrophobicContact CG2-CB 3.57Å; T137-D210 PolarHBondContact OG1-OD1 3.13Å
138D88.3Confident90.4Very high28 Ų2825.8 Ų25.815%0.1514%0.135CC..Hα-helixtrans-55.2-38.5167.8-77.3-79.5000111.5M140 A141 D142 R170 V194 V195 N196D138-M140 PolarHBondContact O-N 3.34Å; D138-A141 PolarHBondContact O-N 3.26Å; D138-D142 VanDerWaalsContact O-CB 3.24Å; D138-D142 WeakPolarHBondContact O-CB 3.48Å; D138-D142 VanDerWaalsContact O-CG 3.22Å; D138-D142 PolarHBondContact O-N 3.44Å; D138-R170 IonicContact OD1-CZ 2.74Å; D138-R170 IonicContact OD1-NH1 2.77Å; D138-R170 PolarHBondContact OD1-NH1 3.18Å; D138-R170 IonicContact OD1-NH2 3.74Å; D138-V194 VanDerWaalsContact CA-CG1 3.47Å; D138-V194 HydrophobicContact CB-CG1 4.12Å; D138-V194 WeakPolarHBondContact OD1-CG1 3.33Å; D138-V195 PolarHBondContact N-O 2.82Å; D138-N196 PolarHBondContact OD2-N 2.94Å; D138-N196 VanDerWaalsContact OD2-N 3.13Å; D138-N196 PolarHBondContact OD2-ND2 3.47Å
139H89.4Confident90.6Very high101 Ų10125.8 Ų25.847%0.46813%0.133SC..Hα-helixtrans-55.8-45.8173.8168-110.6000113.4T137 T143 D210T137-H139 PolarHBondContact O-N 3.42Å; H139-T143 VanDerWaalsContact O-CB 3.26Å; H139-T143 WeakPolarHBondContact O-CB 3.48Å; H139-T143 PolarHBondContact O-N 2.86Å; H139-T143 VanDerWaalsContact O-N 3.08Å; H139-T143 PolarHBondContact O-OG1 3.33Å; H139-D210 IonicContact CE1-OD1 2.7Å; H139-D210 IonicContact CG-OD1 2.72Å; H139-D210 IonicContact ND1-OD1 2.96Å; H139-D210 PolarHBondContact ND1-OD1 2.91Å
140M90.6Very high90.4Very high1 Ų128.1 Ų28.11%0.00514%0.144CC..Hα-helixtrans-68.7-44.4177.7-179.964.5-153.400111.5L105 L106 T137 D138 F144 F209 A213L105-M140 HydrophobicContact CD2-CE 4.1Å; L105-M140 HydrophobicContact CD2-SD 4.31Å; L105-M140 HydrophobicContact CG-CE 4.23Å; L106-M140 HydrophobicContact CB-CE 4.38Å; T137-M140 PolarHBondContact O-N 3.27Å; T137-M140 VanDerWaalsContact O-N 3.14Å; T137-M140 VanDerWaalsContact OG1-CB 3.29Å; T137-M140 WeakPolarHBondContact OG1-CB 3.47Å; T137-M140 PolarHBondContact OG1-N 2.99Å; T137-M140 VanDerWaalsContact OG1-N 3.14Å; D138-M140 PolarHBondContact O-N 3.34Å; M140-F144 WeakPolarHBondContact O-CB 3.37Å; M140-F144 PolarHBondContact O-N 2.75Å; M140-F209 HydrophobicContact CE-CE1 4.32Å; M140-F209 HydrophobicContact CG-CD1 4.16Å; M140-F209 HydrophobicContact CG-CE1 4.29Å; M140-F209 HydrophobicContact SD-CE1 4.15Å; M140-A213 HydrophobicContact CE-CB 4.45Å; M140-A213 HydrophobicContact SD-CB 3.93Å
141A90.9Very high90.4Very high3 Ų324.8 Ų24.83%0.02513%0.128CC..Hα-helixtrans-63.8-46.9179.500000112.4T137 D138 F144 F145 L174 V194T137-A141 PolarHBondContact O-N 2.95Å; D138-A141 PolarHBondContact O-N 3.26Å; A141-F144 PolarHBondContact O-N 3.46Å; A141-F145 WeakPolarHBondContact O-CB 3.35Å; A141-F145 PolarHBondContact O-N 2.88Å; A141-L174 HydrophobicContact CB-CD1 4.19Å; A141-V194 HydrophobicContact CB-CG1 3.72Å; A141-V194 HydrophobicContact CB-CG2 4.08Å
142D91.1Very high89.8Confident67 Ų6724.7 Ų24.736%0.35813%0.127SC..Hα-helixtrans-67.5-39.4179.9-71.92.5000111.7D138 N146 R170D138-D142 VanDerWaalsContact O-CB 3.24Å; D138-D142 WeakPolarHBondContact O-CB 3.48Å; D138-D142 VanDerWaalsContact O-CG 3.22Å; D138-D142 PolarHBondContact O-N 3.44Å; D142-N146 VanDerWaalsContact O-CB 3.26Å; D142-N146 WeakPolarHBondContact O-CB 3.48Å; D142-N146 PolarHBondContact O-N 3.1Å; D142-N146 PolarHBondContact O-ND2 3.29Å; D142-R170 WeakPolarHBondContact OD1-CD 3.49Å; D142-R170 IonicContact OD1-CZ 3.45Å; D142-R170 IonicContact OD1-NE 3.25Å; D142-R170 IonicContact OD1-NH1 3.89Å; D142-R170 PolarHBondContact OD1-NH1 2.98Å
143T91.4Very high88.7Confident20 Ų2026 Ų2612%0.12313%0.132CC..Hα-helixtrans-68.6-41.2177.8-56.60000111H139 S147 A213H139-T143 VanDerWaalsContact O-CB 3.26Å; H139-T143 WeakPolarHBondContact O-CB 3.48Å; H139-T143 PolarHBondContact O-N 2.86Å; H139-T143 VanDerWaalsContact O-N 3.08Å; H139-T143 PolarHBondContact O-OG1 3.33Å; T143-S147 WeakPolarHBondContact O-CB 3.33Å; T143-S147 PolarHBondContact O-N 2.95Å; T143-S147 PolarHBondContact O-OG 2.93Å; T143-S147 VanDerWaalsContact O-OG 3.14Å; T143-A213 HydrophobicContact CG2-CB 3.61Å
144F92.8Very high87.1Confident4 Ų426.4 Ų26.42%0.01814%0.142CC..Hα-helixtrans-59.1-56.8172.6172.1-124.2000111.2N102 F103 M140 A141 N146 S147 C148 L173 L174 L177N102-F144 HydrophobicContact CB-CB 4.47Å; N102-F144 HydrophobicContact CB-CD2 3.88Å; F103-F144 HydrophobicContact CB-CE2 3.98Å; F103-F144 HydrophobicContact CD2-CE2 4.34Å; F103-F144 HydrophobicContact CD2-CZ 4.19Å; M140-F144 WeakPolarHBondContact O-CB 3.37Å; M140-F144 PolarHBondContact O-N 2.75Å; A141-F144 PolarHBondContact O-N 3.46Å; F144-N146 PolarHBondContact O-N 3.48Å; F144-S147 PolarHBondContact O-N 3.48Å; F144-S147 VanDerWaalsContact O-N 3.17Å; F144-S147 PolarHBondContact O-OG 2.93Å; F144-C148 VanDerWaalsContact CE2-SG 3.59Å; F144-C148 PolarHBondContact O-N 3.26Å; F144-C148 PolarHBondContact O-SG 3Å; F144-C148 VanDerWaalsContact O-SG 3.42Å; F144-L173 HydrophobicContact CE1-CD2 4.07Å; F144-L173 HydrophobicContact CZ-CD2 4.47Å; F144-L174 HydrophobicContact CD1-CD2 4.38Å; F144-L174 HydrophobicContact CE1-CD2 4.41Å; F144-L177 HydrophobicContact CE1-CD1 3.8Å; F144-L177 HydrophobicContact CZ-CD1 3.99Å
145F93.4Very high85.2Confident36 Ų3629.1 Ų29.116%0.15816%0.161CC..Hα-helixtrans-58-50.6-179.3178.7-101.8000112.5A141 S147 C148 K149 I159 C168 T169 R170 L173A141-F145 WeakPolarHBondContact O-CB 3.35Å; A141-F145 PolarHBondContact O-N 2.88Å; F145-S147 VanDerWaalsContact C-N 3.26Å; F145-S147 PolarHBondContact O-N 3.42Å; F145-C148 PolarHBondContact O-N 3.25Å; F145-K149 HydrophobicContact CE1-CB 4.29Å; F145-K149 HydrophobicContact CE1-CD 4.38Å; F145-K149 HydrophobicContact CZ-CB 4.26Å; F145-K149 WeakPolarHBondContact O-CB 3.31Å; F145-K149 PolarHBondContact O-N 3.04Å; F145-I159 HydrophobicContact CE2-CD1 4.07Å; F145-C168 WeakPolarHBondContact CE2-O 3.33Å; F145-C168 WeakPolarHBondContact CZ-O 3.41Å; F145-T169 VanDerWaalsContact CE2-C 3.48Å; F145-R170 HydrophobicContact CB-CB 4.26Å; F145-R170 HydrophobicContact CB-CG 4.03Å; F145-R170 HydrophobicContact CD1-CB 4.16Å; F145-R170 HydrophobicContact CD2-CB 4.08Å; F145-R170 HydrophobicContact CE2-CB 4.49Å; F145-R170 HydrophobicContact CG-CB 3.9Å; F145-R170 HydrophobicContact CG-CG 4.24Å; F145-L173 HydrophobicContact CD2-CD2 3.84Å
146N92.4Very high83.8Confident69 Ų6931.1 Ų31.137%0.36917%0.172SC..Hα-helixtrans-66.9-25.1-180-76.3-78000113.4D142 F144 C148 K149D142-N146 VanDerWaalsContact O-CB 3.26Å; D142-N146 WeakPolarHBondContact O-CB 3.48Å; D142-N146 PolarHBondContact O-N 3.1Å; D142-N146 PolarHBondContact O-ND2 3.29Å; F144-N146 PolarHBondContact O-N 3.48Å; N146-C148 VanDerWaalsContact C-N 3.3Å; N146-K149 WeakPolarHBondContact OD1-CE 3.36Å; N146-K149 PolarHBondContact OD1-NZ 3.45Å
147S92.7Very high83Confident2 Ų237 Ų371%0.01419%0.194CC..Hα-helixtrans-71.9-24.2172.971.50000113.4C96 C99 N102 T143 F144 F145C96-S147 PolarHBondContact SG-O 3.46Å; C99-S147 WeakPolarHBondContact CB-O 3.13Å; N102-S147 WeakPolarHBondContact ND2-CB 3.33Å; N102-S147 PolarHBondContact ND2-OG 3.41Å; T143-S147 WeakPolarHBondContact O-CB 3.33Å; T143-S147 PolarHBondContact O-N 2.95Å; T143-S147 PolarHBondContact O-OG 2.93Å; T143-S147 VanDerWaalsContact O-OG 3.14Å; F144-S147 PolarHBondContact O-N 3.48Å; F144-S147 VanDerWaalsContact O-N 3.17Å; F144-S147 PolarHBondContact O-OG 2.93Å; F145-S147 VanDerWaalsContact C-N 3.26Å; F145-S147 PolarHBondContact O-N 3.42Å
148C92.1Very high82.5Confident1 Ų136.2 Ų36.21%0.00719%0.189CC..Hα-helixtrans-108.6-22.2-172-640000114.8C99 F144 F145 N146 E150 V151 I159C99-C148 VanDerWaalsContact CA-SG 3.54Å; C99-C148 HydrophobicContact CB-CB 4.05Å; C99-C148 WeakPolarHBondContact CB-SG 3.39Å; C99-C148 WeakPolarHBondContact SG-CA 3.31Å; C99-C148 WeakPolarHBondContact SG-CB 3.41Å; C99-C148 CovalentContact SG-SG 2.03Å; C99-C148 PolarHBondContact SG-SG 2.97Å; F144-C148 VanDerWaalsContact CE2-SG 3.59Å; F144-C148 PolarHBondContact O-N 3.26Å; F144-C148 PolarHBondContact O-SG 3Å; F144-C148 VanDerWaalsContact O-SG 3.42Å; F145-C148 PolarHBondContact O-N 3.25Å; N146-C148 VanDerWaalsContact C-N 3.3Å; C148-E150 PolarHBondContact O-N 3.41Å; C148-V151 WeakPolarHBondContact O-CB 3.39Å; C148-V151 WeakPolarHBondContact O-CG2 3.32Å; C148-V151 PolarHBondContact O-N 3.37Å; C148-V151 VanDerWaalsContact O-N 3.13Å; C148-I159 HydrophobicContact CB-CG2 3.81Å; C148-I159 WeakPolarHBondContact O-CG2 3.36Å
149K89.3Confident82.4Confident58 Ų5835 Ų3525%0.25218%0.183SC..THydrogen-bonded Turntrans-58.7-24.7-167.366177.7-179-176.10117F145 N146 R157 I159F145-K149 HydrophobicContact CE1-CB 4.29Å; F145-K149 HydrophobicContact CE1-CD 4.38Å; F145-K149 HydrophobicContact CZ-CB 4.26Å; F145-K149 WeakPolarHBondContact O-CB 3.31Å; F145-K149 PolarHBondContact O-N 3.04Å; N146-K149 WeakPolarHBondContact OD1-CE 3.36Å; N146-K149 PolarHBondContact OD1-NZ 3.45Å; K149-R157 WeakPolarHBondContact O-CD 3.18Å; K149-I159 HydrophobicContact CB-CD1 3.99Å
150E84.7Confident81.6Confident49 Ų4930.8 Ų30.823%0.22916%0.164CC..THydrogen-bonded Turntrans-109.3-2.5-176.3-81.5152.9-151.300113C148 T152 D236 S238C148-E150 PolarHBondContact O-N 3.41Å; E150-T152 WeakPolarHBondContact O-CG2 3.43Å; E150-T152 PolarHBondContact O-N 2.8Å; E150-D236 CarbonylContact C-O 3.55Å; E150-D236 WeakPolarHBondContact CB-O 3.39Å; E150-D236 WeakPolarHBondContact O-CA 3.46Å; E150-S238 PolarHBondContact OE1-OG 2.79Å; E150-S238 WeakPolarHBondContact OE2-CB 3.43Å; E150-S238 PolarHBondContact OE2-N 3.27Å; E150-S238 PolarHBondContact OE2-OG 3.49Å
151V84.8Confident80.7Confident0 Ų032.5 Ų32.50%017%0.173CC..  trans-63.9128.6-178.6-177.20000110.4R95 C96 C99 C148 R157 A158R95-V151 HydrophobicContact CB-CG1 4.16Å; C96-V151 HydrophobicContact CB-CG1 4.26Å; C96-V151 HydrophobicContact CB-CG2 3.43Å; C96-V151 VanDerWaalsContact CB-CG2 3.43Å; C99-V151 HydrophobicContact CB-CG2 4.21Å; C148-V151 WeakPolarHBondContact O-CB 3.39Å; C148-V151 WeakPolarHBondContact O-CG2 3.32Å; C148-V151 PolarHBondContact O-N 3.37Å; C148-V151 VanDerWaalsContact O-N 3.13Å; V151-R157 CarbonylContact O-C 3.56Å; V151-R157 WeakPolarHBondContact O-CA 3.49Å; V151-A158 HydrophobicContact CB-CB 4.37Å; V151-A158 HydrophobicContact CG1-CB 4.26Å; V151-A158 WeakPolarHBondContact O-CB 3.31Å; V151-A158 PolarHBondContact O-N 3.39Å
152T74.6Confident80.1Confident27 Ų2734.2 Ų34.217%0.16618%0.181CC..EExtended strand (participates in β ladder)trans-104.6125.4-171.355.30000113.1R95 E150 N156 M235 D236R95-T152 WeakPolarHBondContact CD-O 3.28Å; R95-T152 PolarHBondContact NE-OG1 3.49Å; R95-T152 PolarHBondContact NH1-O 3.3Å; R95-T152 PolarHBondContact NH1-OG1 3.28Å; R95-T152 PolarHBondContact NH2-OG1 3.33Å; E150-T152 WeakPolarHBondContact O-CG2 3.43Å; E150-T152 PolarHBondContact O-N 2.8Å; T152-N156 CarbonylContact C-O 3.59Å; T152-N156 WeakPolarHBondContact CA-O 3.25Å; T152-M235 HydrophobicContact CG2-CG 4.43Å; T152-D236 PolarHBondContact N-OD1 2.87Å; T152-D236 PolarHBondContact OG1-OD1 3.46Å
153F67.8Low79.4Confident29 Ų2931.4 Ų31.413%0.12717%0.167CC..EExtended strand (participates in β ladder)trans-114.6110.8173.9-174.1-92.8000109.3M91 L92 S155 N156 A158M91-F153 HydrophobicContact CE-CE2 4.3Å; M91-F153 HydrophobicContact CE-CZ 4.17Å; M91-F153 HydrophobicContact CG-CE2 4.28Å; M91-F153 WeakPolarHBondContact O-CE2 3.29Å; L92-F153 HydrophobicContact CD2-CD1 4.01Å; L92-F153 HydrophobicContact CD2-CD2 3.65Å; L92-F153 HydrophobicContact CD2-CE1 4.1Å; L92-F153 HydrophobicContact CD2-CE2 3.74Å; L92-F153 HydrophobicContact CD2-CG 3.79Å; L92-F153 HydrophobicContact CD2-CZ 3.96Å; F153-S155 PolarHBondContact O-N 3.05Å; F153-N156 PolarHBondContact N-O 2.85Å; F153-N156 PolarHBondContact O-N 3.43Å; F153-A158 HydrophobicContact CB-CB 4.13Å
154G60Low78.1Confident38 Ų3832.2 Ų32.239%0.39218%0.18SC..THydrogen-bonded Turntrans60.5-118.9-168.900000111
155S52.3Low76.6Confident57 Ų5733.9 Ų33.940%0.39919%0.19SC..THydrogen-bonded Turntrans-90.2-14.9179.658.90000115.3F153F153-S155 PolarHBondContact O-N 3.05Å
156N61Low74.9Confident44 Ų4433.8 Ų33.824%0.23520%0.196CC..EExtended strand (participates in β ladder)trans-124.6173.3-166.9-67-15.9000112.1T152 F153 E529T152-N156 CarbonylContact C-O 3.59Å; T152-N156 WeakPolarHBondContact CA-O 3.25Å; F153-N156 PolarHBondContact N-O 2.85Å; F153-N156 PolarHBondContact O-N 3.43Å; N156-E529 PolarHBondContact ND2-O 3.28Å
157R74.3Confident73.9Confident126 Ų12637.2 Ų37.248%0.47521%0.214SC..EExtended strand (participates in β ladder)trans-73.9132.9178.2-68.2172.4179.9155.8-0.7110.9K149 V151 I159 S160K149-R157 WeakPolarHBondContact O-CD 3.18Å; V151-R157 CarbonylContact O-C 3.56Å; V151-R157 WeakPolarHBondContact O-CA 3.49Å; R157-I159 VanDerWaalsContact C-N 3.27Å; R157-I159 HydrophobicContact CB-CG1 4.24Å; R157-I159 PolarHBondContact O-N 2.89Å; R157-S160 PolarHBondContact O-N 3.01Å; R157-S160 VanDerWaalsContact O-N 3.13Å
158A79.3Confident73.2Confident0 Ų037.6 Ų37.60%022%0.217CC..Hα-helixtrans-59.2-36.5176.600000112.4L92 L93 V151 F153 L161 M162L92-A158 HydrophobicContact CB-CB 4.43Å; L92-A158 WeakPolarHBondContact O-CB 3.36Å; L93-A158 HydrophobicContact CD2-CB 4.01Å; V151-A158 HydrophobicContact CB-CB 4.37Å; V151-A158 HydrophobicContact CG1-CB 4.26Å; V151-A158 WeakPolarHBondContact O-CB 3.31Å; V151-A158 PolarHBondContact O-N 3.39Å; F153-A158 HydrophobicContact CB-CB 4.13Å; A158-L161 WeakPolarHBondContact O-CB 3.33Å; A158-L161 PolarHBondContact O-N 2.85Å; A158-M162 PolarHBondContact O-N 3.29Å
159I85Confident73Confident4 Ų440.7 Ų40.72%0.02124%0.236CC..Hα-helixtrans-69.1-29.9177.159.2150.2000113.6F145 C148 K149 R157 L161 M162 C163 C168 L173F145-I159 HydrophobicContact CE2-CD1 4.07Å; C148-I159 HydrophobicContact CB-CG2 3.81Å; C148-I159 WeakPolarHBondContact O-CG2 3.36Å; K149-I159 HydrophobicContact CB-CD1 3.99Å; R157-I159 VanDerWaalsContact C-N 3.27Å; R157-I159 HydrophobicContact CB-CG1 4.24Å; R157-I159 PolarHBondContact O-N 2.89Å; I159-L161 VanDerWaalsContact C-N 3.26Å; I159-L161 PolarHBondContact O-N 2.95Å; I159-M162 CarbonylContact O-C 3.46Å; I159-M162 WeakPolarHBondContact O-CA 3.42Å; I159-M162 WeakPolarHBondContact O-CB 3.35Å; I159-M162 PolarHBondContact O-N 3.11Å; I159-C163 PolarHBondContact O-N 2.91Å; I159-C168 HydrophobicContact CD1-CB 3.96Å; I159-C168 HydrophobicContact CG1-CB 4.48Å; I159-C168 PolarHBondContact O-SG 3.08Å; I159-L173 HydrophobicContact CB-CD1 4.46Å; I159-L173 HydrophobicContact CG2-CD1 4.48Å; I159-L173 HydrophobicContact CG2-CD2 4.23Å
160S72.6Confident73Confident11 Ų1140.1 Ų40.18%0.07723%0.232CC..Hα-helixtrans-65.3-35.7176.9-600000110.9R157 M162 C163 G164 T165 A166R157-S160 PolarHBondContact O-N 3.01Å; R157-S160 VanDerWaalsContact O-N 3.13Å; S160-M162 PolarHBondContact O-N 3.31Å; S160-C163 PolarHBondContact O-N 3.44Å; S160-G164 WeakPolarHBondContact O-CA 3.18Å; S160-G164 PolarHBondContact O-N 3.34Å; S160-T165 VanDerWaalsContact CA-O 3.24Å; S160-T165 WeakPolarHBondContact CA-O 3.28Å; S160-T165 VanDerWaalsContact CB-O 3.25Å; S160-T165 WeakPolarHBondContact CB-O 3.42Å; S160-T165 PolarHBondContact O-N 2.91Å; S160-T165 PolarHBondContact OG-O 3.19Å; S160-A166 PolarHBondContact OG-O 3.45Å
161L71.8Confident73.2Confident38 Ų3842.7 Ų42.720%0.19924%0.244CC..Hα-helixtrans-66.3-23172.2-162.572.7000113.4L92 A158 I159 A530 Y535L92-L161 HydrophobicContact CD1-CD2 4.02Å; L92-L161 HydrophobicContact CD2-CD2 3.53Å; L92-L161 HydrophobicContact CG-CD2 4.44Å; A158-L161 WeakPolarHBondContact O-CB 3.33Å; A158-L161 PolarHBondContact O-N 2.85Å; I159-L161 VanDerWaalsContact C-N 3.26Å; I159-L161 PolarHBondContact O-N 2.95Å; L161-A530 HydrophobicContact CD1-CB 3.46Å; L161-A530 VanDerWaalsContact CD1-CB 3.46Å; L161-Y535 WeakPolarHBondContact CD1-OH 3.11Å; L161-Y535 VanDerWaalsContact CG-OH 3.25Å; L161-Y535 WeakPolarHBondContact CG-OH 3.25Å
162M78.8Confident73.3Confident38 Ų3844.8 Ų44.819%0.18726%0.255CS..Hα-helixtrans-89.5-32.4176.7-62.5174.865.900112.9L92 L93 F103 A158 I159 S160 L173 L177L92-M162 HydrophobicContact CD1-CG 4.2Å; L93-M162 HydrophobicContact CD1-CE 4.25Å; L93-M162 HydrophobicContact CD1-SD 4.04Å; L93-M162 HydrophobicContact CD2-SD 3.78Å; L93-M162 HydrophobicContact CG-SD 4.16Å; F103-M162 HydrophobicContact CE2-CE 4.48Å; A158-M162 PolarHBondContact O-N 3.29Å; I159-M162 CarbonylContact O-C 3.46Å; I159-M162 WeakPolarHBondContact O-CA 3.42Å; I159-M162 WeakPolarHBondContact O-CB 3.35Å; I159-M162 PolarHBondContact O-N 3.11Å; S160-M162 PolarHBondContact O-N 3.31Å; M162-L173 HydrophobicContact CB-CD1 3.91Å; M162-L173 HydrophobicContact CE-CD1 4.24Å; M162-L177 HydrophobicContact CE-CD1 4.32Å; M162-L177 HydrophobicContact CE-CD2 3.58Å; M162-L177 HydrophobicContact CE-CG 4.14Å
163C76.5Confident74Confident8 Ų843.6 Ų43.65%0.05425%0.248CC..Hα-helixtrans-78.2-26.7171.1-84.90000112.9I159 S160 C168 L172 N176I159-C163 PolarHBondContact O-N 2.91Å; S160-C163 PolarHBondContact O-N 3.44Å; C163-C168 HydrophobicContact CB-CB 3.43Å; C163-C168 VanDerWaalsContact CB-CB 3.43Å; C163-C168 WeakPolarHBondContact CB-SG 3.43Å; C163-C168 WeakPolarHBondContact SG-CA 3.45Å; C163-C168 WeakPolarHBondContact SG-CB 3.21Å; C163-C168 CovalentContact SG-SG 2.03Å; C163-C168 PolarHBondContact SG-SG 3.3Å; C163-L172 HydrophobicContact CB-CD2 4.15Å; C163-L172 HydrophobicContact CB-CG 4.33Å; C163-N176 PolarHBondContact O-ND2 3.36Å
164G63.3Low75.1Confident38 Ų3842.7 Ų42.739%0.39224%0.244SC..THydrogen-bonded Turntrans75.512.4-167.500000113.8S160S160-G164 WeakPolarHBondContact O-CA 3.18Å; S160-G164 PolarHBondContact O-N 3.34Å
165T63.2Low76.4Confident38 Ų3845.8 Ų45.823%0.23325%0.248CC..SBendtrans-146.9148.6-177.561.70000111.3S160 L172 E529S160-T165 VanDerWaalsContact CA-O 3.24Å; S160-T165 WeakPolarHBondContact CA-O 3.28Å; S160-T165 VanDerWaalsContact CB-O 3.25Å; S160-T165 WeakPolarHBondContact CB-O 3.42Å; S160-T165 PolarHBondContact O-N 2.91Å; S160-T165 PolarHBondContact OG-O 3.19Å; T165-L172 WeakPolarHBondContact OG1-CD2 3.47Å; T165-E529 WeakPolarHBondContact CA-OE2 3.18Å
166A57.2Low77.9Confident35 Ų3544.8 Ų44.829%0.28924%0.238SC..SBendtrans-63.1-45.9176.200000112.5S160 C168 E529S160-A166 PolarHBondContact OG-O 3.45Å; A166-C168 PolarHBondContact O-N 2.99Å; A166-E529 WeakPolarHBondContact CB-OE1 3.3Å; A166-E529 PolarHBondContact N-OE1 3.45Å; A166-E529 PolarHBondContact N-OE2 3.18Å
167D70Confident79.2Confident141 Ų14144 Ų4475%0.75423%0.234SC*.SBendtrans-84.852.4-178.1-74.1-30.5000112.5T169D167-T169 PolarHBondContact O-N 3.37Å; D167-T169 VanDerWaalsContact O-N 3.16Å
168C78.6Confident79.8Confident10 Ų1038.2 Ų38.27%0.06821%0.213CC..  trans-65.4106.2178.3-177.20000112F145 I159 C163 A166F145-C168 WeakPolarHBondContact CE2-O 3.33Å; F145-C168 WeakPolarHBondContact CZ-O 3.41Å; I159-C168 HydrophobicContact CD1-CB 3.96Å; I159-C168 HydrophobicContact CG1-CB 4.48Å; I159-C168 PolarHBondContact O-SG 3.08Å; C163-C168 HydrophobicContact CB-CB 3.43Å; C163-C168 VanDerWaalsContact CB-CB 3.43Å; C163-C168 WeakPolarHBondContact CB-SG 3.43Å; C163-C168 WeakPolarHBondContact SG-CA 3.45Å; C163-C168 WeakPolarHBondContact SG-CB 3.21Å; C163-C168 CovalentContact SG-SG 2.03Å; C163-C168 PolarHBondContact SG-SG 3.3Å; A166-C168 PolarHBondContact O-N 2.99Å
169T87.5Confident80Confident65 Ų6540.7 Ų40.740%0.39922%0.224SC..  trans-83169176.366.40000112.3F145 D167 E171 L172 L173F145-T169 VanDerWaalsContact CE2-C 3.48Å; D167-T169 PolarHBondContact O-N 3.37Å; D167-T169 VanDerWaalsContact O-N 3.16Å; T169-E171 VanDerWaalsContact C-N 3.3Å; T169-E171 PolarHBondContact O-N 2.69Å; T169-L172 PolarHBondContact O-N 2.61Å; T169-L172 VanDerWaalsContact OG1-CB 3.28Å; T169-L172 WeakPolarHBondContact OG1-CB 3.27Å; T169-L172 PolarHBondContact OG1-N 2.89Å; T169-L172 VanDerWaalsContact OG1-N 3.09Å; T169-L173 VanDerWaalsContact O-CB 3.29Å; T169-L173 WeakPolarHBondContact O-CB 3.3Å; T169-L173 PolarHBondContact O-N 3.2Å
170R90.4Very high79.6Confident47 Ų4741.5 Ų41.518%0.17723%0.23CC..Hα-helixtrans-59.6-44174.7179.9-171.872.5144.68.8111.1D138 D142 F145 L174D138-R170 IonicContact OD1-CZ 2.74Å; D138-R170 IonicContact OD1-NH1 2.77Å; D138-R170 PolarHBondContact OD1-NH1 3.18Å; D138-R170 IonicContact OD1-NH2 3.74Å; D142-R170 WeakPolarHBondContact OD1-CD 3.49Å; D142-R170 IonicContact OD1-CZ 3.45Å; D142-R170 IonicContact OD1-NE 3.25Å; D142-R170 IonicContact OD1-NH1 3.89Å; D142-R170 PolarHBondContact OD1-NH1 2.98Å; F145-R170 HydrophobicContact CB-CB 4.26Å; F145-R170 HydrophobicContact CB-CG 4.03Å; F145-R170 HydrophobicContact CD1-CB 4.16Å; F145-R170 HydrophobicContact CD2-CB 4.08Å; F145-R170 HydrophobicContact CE2-CB 4.49Å; F145-R170 HydrophobicContact CG-CB 3.9Å; F145-R170 HydrophobicContact CG-CG 4.24Å; R170-L174 HydrophobicContact CG-CD1 4.5Å; R170-L174 WeakPolarHBondContact O-CG 3.44Å; R170-L174 PolarHBondContact O-N 3.41Å
171E89.1Confident79.3Confident103 Ų10344.5 Ų44.548%0.48125%0.248SC..Hα-helixtrans-65.2-50.4179.9-66.263.4-142.100110.5T169 L173 L174 E175T169-E171 VanDerWaalsContact C-N 3.3Å; T169-E171 PolarHBondContact O-N 2.69Å; E171-L173 PolarHBondContact O-N 2.89Å; E171-L174 PolarHBondContact O-N 3.02Å; E171-E175 WeakPolarHBondContact O-CB 3.4Å; E171-E175 PolarHBondContact O-N 2.87Å
172L86.1Confident78.8Confident44 Ų4449.2 Ų49.223%0.2327%0.273CS..Hα-helixtrans-65.3-37.8-179.5-174.363.3000112.2C163 T165 T169 E175 N176C163-L172 HydrophobicContact CB-CD2 4.15Å; C163-L172 HydrophobicContact CB-CG 4.33Å; T165-L172 WeakPolarHBondContact OG1-CD2 3.47Å; T169-L172 PolarHBondContact O-N 2.61Å; T169-L172 VanDerWaalsContact OG1-CB 3.28Å; T169-L172 WeakPolarHBondContact OG1-CB 3.27Å; T169-L172 PolarHBondContact OG1-N 2.89Å; T169-L172 VanDerWaalsContact OG1-N 3.09Å; L172-E175 PolarHBondContact O-N 2.84Å; L172-N176 WeakPolarHBondContact O-CB 3.49Å; L172-N176 PolarHBondContact O-N 3.34Å
173L88.9Confident77.8Confident2 Ų250.8 Ų50.81%0.0130%0.3CS..Hα-helixtrans-62.4-44.5175.6-179.264000111.3F144 F145 I159 M162 T169 E171 L177F144-L173 HydrophobicContact CE1-CD2 4.07Å; F144-L173 HydrophobicContact CZ-CD2 4.47Å; F145-L173 HydrophobicContact CD2-CD2 3.84Å; I159-L173 HydrophobicContact CB-CD1 4.46Å; I159-L173 HydrophobicContact CG2-CD1 4.48Å; I159-L173 HydrophobicContact CG2-CD2 4.23Å; M162-L173 HydrophobicContact CB-CD1 3.91Å; M162-L173 HydrophobicContact CE-CD1 4.24Å; T169-L173 VanDerWaalsContact O-CB 3.29Å; T169-L173 WeakPolarHBondContact O-CB 3.3Å; T169-L173 PolarHBondContact O-N 3.2Å; E171-L173 PolarHBondContact O-N 2.89Å; L173-L177 HydrophobicContact CD1-CD1 4.32Å; L173-L177 HydrophobicContact CG-CD1 4.15Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 WeakPolarHBondContact O-CD1 3.45Å; L173-L177 WeakPolarHBondContact O-CG 3.36Å; L173-L177 PolarHBondContact O-N 3.28Å
174L90.9Very high77.3Confident9 Ų951.3 Ų51.35%0.04731%0.306CS..Hα-helixtrans-68.5-41.2177-70.4173.2000111.4L136 A141 F144 R170 E171 L177 G178 F192 V194L136-L174 HydrophobicContact CD1-CD2 4.48Å; A141-L174 HydrophobicContact CB-CD1 4.19Å; F144-L174 HydrophobicContact CD1-CD2 4.38Å; F144-L174 HydrophobicContact CE1-CD2 4.41Å; R170-L174 HydrophobicContact CG-CD1 4.5Å; R170-L174 WeakPolarHBondContact O-CG 3.44Å; R170-L174 PolarHBondContact O-N 3.41Å; E171-L174 PolarHBondContact O-N 3.02Å; L174-L177 PolarHBondContact O-N 3.18Å; L174-G178 PolarHBondContact O-N 3.22Å; L174-G178 VanDerWaalsContact O-N 3.16Å; L174-F192 HydrophobicContact CB-CB 4.15Å; L174-F192 HydrophobicContact CB-CD2 4.07Å; L174-F192 HydrophobicContact CB-CG 4.17Å; L174-F192 HydrophobicContact CD2-CD1 4.25Å; L174-F192 HydrophobicContact CD2-CD2 4.48Å; L174-F192 HydrophobicContact CD2-CE1 4.5Å; L174-F192 HydrophobicContact CD2-CG 4.22Å; L174-F192 WeakPolarHBondContact O-CD2 3.36Å; L174-F192 VanDerWaalsContact O-CE2 3.24Å; L174-F192 WeakPolarHBondContact O-CE2 3.19Å; L174-V194 HydrophobicContact CD1-CG2 3.84Å
175E87.3Confident77.6Confident104 Ų10456.4 Ų56.449%0.48631%0.314SS..Hα-helixtrans-62.2-49.1178.4-166.8-174.2132.100112.1E171 L172 L177 G178 K179E171-E175 WeakPolarHBondContact O-CB 3.4Å; E171-E175 PolarHBondContact O-N 2.87Å; L172-E175 PolarHBondContact O-N 2.84Å; E175-L177 PolarHBondContact O-N 3.41Å; E175-G178 CarbonylContact O-C 3.27Å; E175-G178 WeakPolarHBondContact O-CA 3.21Å; E175-G178 PolarHBondContact O-N 3.43Å; E175-K179 PolarHBondContact O-N 3.01Å; E175-K179 VanDerWaalsContact O-N 3.09Å; E175-K179 WeakPolarHBondContact OE1-CE 3.22Å; E175-K179 IonicContact OE1-NZ 3.17Å; E175-K179 PolarHBondContact OE1-NZ 2.82Å
176N84.1Confident78.5Confident36 Ų3655 Ų5519%0.19331%0.305CS..Hα-helixtrans-75.7-23.1-178.6-69.7-4.9000112.7C163 L172 G178 K179C163-N176 PolarHBondContact O-ND2 3.36Å; L172-N176 WeakPolarHBondContact O-CB 3.49Å; L172-N176 PolarHBondContact O-N 3.34Å; N176-G178 PolarHBondContact O-N 3.06Å; N176-K179 PolarHBondContact OD1-NZ 3.26Å
177L88.1Confident79.6Confident28 Ų2854.2 Ų54.215%0.14730%0.297CS..Hα-helixtrans-66.1-21.2162.7-84.5171.8000113.3F103 F107 F144 M162 L173 L174 E175 F192F103-L177 HydrophobicContact CE2-CD2 4.03Å; F107-L177 HydrophobicContact CE2-CD2 4.35Å; F107-L177 HydrophobicContact CZ-CD2 4.25Å; F144-L177 HydrophobicContact CE1-CD1 3.8Å; F144-L177 HydrophobicContact CZ-CD1 3.99Å; M162-L177 HydrophobicContact CE-CD1 4.32Å; M162-L177 HydrophobicContact CE-CD2 3.58Å; M162-L177 HydrophobicContact CE-CG 4.14Å; L173-L177 HydrophobicContact CD1-CD1 4.32Å; L173-L177 HydrophobicContact CG-CD1 4.15Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 WeakPolarHBondContact O-CD1 3.45Å; L173-L177 WeakPolarHBondContact O-CG 3.36Å; L173-L177 PolarHBondContact O-N 3.28Å; L174-L177 PolarHBondContact O-N 3.18Å; E175-L177 PolarHBondContact O-N 3.41Å; L177-F192 HydrophobicContact CB-CE2 4.26Å
178G87.3Confident80.3Confident3 Ų347.5 Ų47.53%0.03126%0.261CS..Hα-helixtrans-99.1-20.3-17600000115.7L174 E175 N176 D189 I190L174-G178 PolarHBondContact O-N 3.22Å; L174-G178 VanDerWaalsContact O-N 3.16Å; E175-G178 CarbonylContact O-C 3.27Å; E175-G178 WeakPolarHBondContact O-CA 3.21Å; E175-G178 PolarHBondContact O-N 3.43Å; N176-G178 PolarHBondContact O-N 3.06Å; G178-D189 CarbonylContact O-C 3.36Å; G178-D189 WeakPolarHBondContact O-CA 3.35Å; G178-I190 WeakPolarHBondContact CA-O 3.4Å; G178-I190 PolarHBondContact O-N 3.07Å
179K82.8Confident80.7Confident52 Ų5250.1 Ų50.123%0.22628%0.275CS..  trans-68.7135-179.6-75.4170.8-179.4156.60112.5E175 N176 G184 R185 S186E175-K179 PolarHBondContact O-N 3.01Å; E175-K179 VanDerWaalsContact O-N 3.09Å; E175-K179 WeakPolarHBondContact OE1-CE 3.22Å; E175-K179 IonicContact OE1-NZ 3.17Å; E175-K179 PolarHBondContact OE1-NZ 2.82Å; N176-K179 PolarHBondContact OD1-NZ 3.26Å; K179-G184 CarbonylContact O-C 3.5Å; K179-G184 WeakPolarHBondContact O-CA 3.44Å; K179-R185 PolarHBondContact O-N 2.91Å; K179-S186 VanDerWaalsContact O-CB 3.23Å; K179-S186 WeakPolarHBondContact O-CB 3.38Å; K179-S186 PolarHBondContact O-N 3.06Å; K179-S186 VanDerWaalsContact O-N 3.14Å
180S76.8Confident80.9Confident22 Ų2247.3 Ų47.315%0.15426%0.257CS..SBendtrans-101.8-16.1167.266.50000113.8S186 D189S180-S186 WeakPolarHBondContact CA-O 3.24Å; S180-S186 WeakPolarHBondContact CB-O 3.42Å; S180-D189 WeakPolarHBondContact CB-OD1 3.26Å; S180-D189 PolarHBondContact N-OD1 2.85Å; S180-D189 VanDerWaalsContact OG-CG 3.28Å; S180-D189 PolarHBondContact OG-OD1 3.46Å
181T67.7Low80.9Confident74 Ų7453.8 Ų53.845%0.45428%0.282SS..SBendtrans-98.7174.4173.560.20000111.9G183 G184T181-G183 VanDerWaalsContact C-N 3.32Å; T181-G183 PolarHBondContact O-N 3.35Å; T181-G183 VanDerWaalsContact O-N 3.16Å; T181-G184 PolarHBondContact O-N 3.4Å
182D60.1Low81Confident136 Ų13650.2 Ų50.273%0.72727%0.265SS*.THydrogen-bonded Turntrans59.234.5162-46.5-52000115.9
183G59.1Low81.2Confident72 Ų7251.1 Ų51.174%0.74227%0.27SS*.THydrogen-bonded Turntrans91.5-5.2-178.700000114.2T181T181-G183 VanDerWaalsContact C-N 3.32Å; T181-G183 PolarHBondContact O-N 3.35Å; T181-G183 VanDerWaalsContact O-N 3.16Å
184G64.5Low81Confident19 Ų1952.8 Ų52.820%0.19628%0.28CS..  trans-57.5154.2165.600000112.1K179 T181K179-G184 CarbonylContact O-C 3.5Å; K179-G184 WeakPolarHBondContact O-CA 3.44Å; T181-G184 PolarHBondContact O-N 3.4Å
185R70.4Confident80.7Confident145 Ų14553.6 Ų53.655%0.54729%0.285SS..  trans-119.213.5-177.9-57.4-168.7-171.5-150.77.4113.3K179K179-R185 PolarHBondContact O-N 2.91Å
186S81.1Confident80.1Confident8 Ų855.5 Ų55.56%0.05630%0.299CS..  trans-76.9138.9175.4-169.50000110.8K179 S180 F188 I190K179-S186 VanDerWaalsContact O-CB 3.23Å; K179-S186 WeakPolarHBondContact O-CB 3.38Å; K179-S186 PolarHBondContact O-N 3.06Å; K179-S186 VanDerWaalsContact O-N 3.14Å; S180-S186 WeakPolarHBondContact CA-O 3.24Å; S180-S186 WeakPolarHBondContact CB-O 3.42Å; S186-F188 WeakPolarHBondContact CB-O 3.4Å; S186-F188 PolarHBondContact O-N 2.9Å; S186-F188 PolarHBondContact OG-O 3.47Å; S186-I190 WeakPolarHBondContact OG-CD1 3.27Å
187P80.7Confident79.2Confident18 Ų1857.9 Ų57.912%0.11732%0.318CS..SBendtrans-64.7-16.3176.425.1-34.7000114.7Q38 K39 Y81Q38-P187 WeakPolarHBondContact O-CB 3.31Å; K39-P187 WeakPolarHBondContact CE-O 3.43Å; Y81-P187 HydrophobicContact CE1-CB 4.11Å; Y81-P187 HydrophobicContact CE1-CG 4.3Å
188F85.4Confident78Confident0 Ų061.2 Ų61.20%034%0.336CS..SBendtrans-163.5160.7176.546.4-98.2000108.5W26 Y40 M110 E130 I132 S186 I190W26-F188 HydrophobicContact CH2-CE2 4.08Å; W26-F188 AromaticContact CH2-CZ 3.58Å; W26-F188 HydrophobicContact CH2-CZ 3.58Å; W26-F188 HydrophobicContact CZ3-CE1 4.42Å; W26-F188 AromaticContact CZ3-CE2 3.92Å; W26-F188 HydrophobicContact CZ3-CE2 3.92Å; W26-F188 AromaticContact CZ3-CZ 3.55Å; W26-F188 HydrophobicContact CZ3-CZ 3.55Å; Y40-F188 AromaticContact CD2-CE1 3.57Å; Y40-F188 HydrophobicContact CD2-CE1 3.57Å; Y40-F188 AromaticContact CD2-CZ 3.86Å; Y40-F188 HydrophobicContact CD2-CZ 3.86Å; Y40-F188 AromaticContact CE2-CE1 3.69Å; Y40-F188 HydrophobicContact CE2-CE1 3.69Å; Y40-F188 AromaticContact CE2-CZ 3.87Å; Y40-F188 HydrophobicContact CE2-CZ 3.87Å; Y40-F188 HydrophobicContact CG-CE1 4.26Å; M110-F188 HydrophobicContact CE-CZ 4.46Å; E130-F188 WeakPolarHBondContact O-CB 3.21Å; I132-F188 HydrophobicContact CD1-CE2 3.96Å; I132-F188 HydrophobicContact CG1-CD2 4.43Å; I132-F188 HydrophobicContact CG1-CE2 4.02Å; I132-F188 HydrophobicContact CG2-CE2 4.18Å; S186-F188 WeakPolarHBondContact CB-O 3.4Å; S186-F188 PolarHBondContact O-N 2.9Å; S186-F188 PolarHBondContact OG-O 3.47Å; F188-I190 HydrophobicContact CD2-CG1 4.14Å; F188-I190 HydrophobicContact CE2-CD1 4.48Å; F188-I190 HydrophobicContact CE2-CG1 3.96Å; F188-I190 PolarHBondContact O-N 3.33Å
189D87.3Confident76.8Confident65 Ų6563.4 Ų63.435%0.34835%0.346SS..EExtended strand (participates in β ladder)trans-69.2128.5-175.8-58.4-43.6000112.1S131 I132 G178 S180S131-D189 CarbonylContact C-O 3.39Å; S131-D189 WeakPolarHBondContact CA-O 3.2Å; S131-D189 VanDerWaalsContact CB-O 3.27Å; S131-D189 WeakPolarHBondContact CB-O 3.28Å; I132-D189 PolarHBondContact N-O 3.03Å; G178-D189 CarbonylContact O-C 3.36Å; G178-D189 WeakPolarHBondContact O-CA 3.35Å; S180-D189 WeakPolarHBondContact CB-OD1 3.26Å; S180-D189 PolarHBondContact N-OD1 2.85Å; S180-D189 VanDerWaalsContact OG-CG 3.28Å; S180-D189 PolarHBondContact OG-OD1 3.46Å
190I90.8Very high75.6Confident7 Ų769.6 Ų69.64%0.03637%0.369CS..EExtended strand (participates in β ladder)trans-112.2102.9176.8-54.9164.7000108.1F107 M110 I132 G178 S186 F188 F192F107-I190 HydrophobicContact CE1-CD1 4.12Å; M110-I190 HydrophobicContact CE-CD1 4.12Å; M110-I190 HydrophobicContact SD-CD1 3.66Å; M110-I190 HydrophobicContact SD-CG1 4.29Å; I132-I190 HydrophobicContact CD1-CB 4.5Å; I132-I190 HydrophobicContact CD1-CG1 4.07Å; I132-I190 HydrophobicContact CD1-CG2 4Å; I132-I190 HydrophobicContact CG1-CB 4.16Å; I132-I190 HydrophobicContact CG1-CG1 3.97Å; I132-I190 HydrophobicContact CG1-CG2 3.95Å; G178-I190 WeakPolarHBondContact CA-O 3.4Å; G178-I190 PolarHBondContact O-N 3.07Å; S186-I190 WeakPolarHBondContact OG-CD1 3.27Å; F188-I190 HydrophobicContact CD2-CG1 4.14Å; F188-I190 HydrophobicContact CE2-CD1 4.48Å; F188-I190 HydrophobicContact CE2-CG1 3.96Å; F188-I190 PolarHBondContact O-N 3.33Å; I190-F192 HydrophobicContact CB-CE2 4.08Å; I190-F192 HydrophobicContact CB-CZ 4.38Å; I190-F192 HydrophobicContact CG2-CD1 4.3Å; I190-F192 HydrophobicContact CG2-CD2 4Å; I190-F192 HydrophobicContact CG2-CE1 3.95Å; I190-F192 HydrophobicContact CG2-CE2 3.62Å; I190-F192 HydrophobicContact CG2-CG 4.34Å; I190-F192 HydrophobicContact CG2-CZ 3.6Å; I190-F192 PolarHBondContact O-N 2.97Å
191R91.7Very high74.5Confident182 Ų18273 Ų7369%0.68738%0.381SS*.EExtended strand (participates in β ladder)trans-81.699.8171.2-176173-68.4145.11.9109.5I132 T133 Y134I132-R191 PolarHBondContact O-N 3.37Å; T133-R191 CarbonylContact C-O 3.58Å; T133-R191 VanDerWaalsContact CA-O 3.3Å; T133-R191 WeakPolarHBondContact CA-O 3.29Å; Y134-R191 PolarHBondContact N-O 2.95Å
192F90.5Very high73.8Confident28 Ų2876.7 Ų76.712%0.12340%0.398CS..EExtended strand (participates in β ladder)trans-68.6130.9170.3-65.1-83.5000110.4L106 F107 Y134 L136 L174 L177 I190L106-F192 HydrophobicContact CD1-CE1 4.36Å; L106-F192 HydrophobicContact CD2-CE1 4.03Å; L106-F192 HydrophobicContact CD2-CZ 4.4Å; L106-F192 HydrophobicContact CG-CE1 4.45Å; F107-F192 HydrophobicContact CZ-CZ 4.37Å; Y134-F192 HydrophobicContact CD1-CD1 4.06Å; Y134-F192 AromaticContact CD1-CE1 3.63Å; Y134-F192 HydrophobicContact CD1-CE1 3.63Å; Y134-F192 HydrophobicContact CE1-CE1 4.21Å; Y134-F192 HydrophobicContact CG-CD1 4.44Å; Y134-F192 HydrophobicContact CG-CE1 4.43Å; Y134-F192 WeakPolarHBondContact O-CA 3.47Å; L136-F192 HydrophobicContact CD1-CD1 3.81Å; L136-F192 HydrophobicContact CD1-CE1 4.43Å; L136-F192 HydrophobicContact CG-CD1 4.35Å; L174-F192 HydrophobicContact CB-CB 4.15Å; L174-F192 HydrophobicContact CB-CD2 4.07Å; L174-F192 HydrophobicContact CB-CG 4.17Å; L174-F192 HydrophobicContact CD2-CD1 4.25Å; L174-F192 HydrophobicContact CD2-CD2 4.48Å; L174-F192 HydrophobicContact CD2-CE1 4.5Å; L174-F192 HydrophobicContact CD2-CG 4.22Å; L174-F192 WeakPolarHBondContact O-CD2 3.36Å; L174-F192 VanDerWaalsContact O-CE2 3.24Å; L174-F192 WeakPolarHBondContact O-CE2 3.19Å; L177-F192 HydrophobicContact CB-CE2 4.26Å; I190-F192 HydrophobicContact CB-CE2 4.08Å; I190-F192 HydrophobicContact CB-CZ 4.38Å; I190-F192 HydrophobicContact CG2-CD1 4.3Å; I190-F192 HydrophobicContact CG2-CD2 4Å; I190-F192 HydrophobicContact CG2-CE1 3.95Å; I190-F192 HydrophobicContact CG2-CE2 3.62Å; I190-F192 HydrophobicContact CG2-CG 4.34Å; I190-F192 HydrophobicContact CG2-CZ 3.6Å; I190-F192 PolarHBondContact O-N 2.97Å
193N89.1Confident73.5Confident63 Ų6376.7 Ų76.734%0.33741%0.409SS..EExtended strand (participates in β ladder)trans-125101.9179.5177.643.3000108.8T133 Y134 T135 L136T133-N193 HydrophobicContact CG2-CB 3.96Å; Y134-N193 PolarHBondContact O-N 2.98Å; T135-N193 CarbonylContact C-O 3.14Å; T135-N193 VanDerWaalsContact CA-O 3.28Å; T135-N193 WeakPolarHBondContact CA-O 3.43Å; L136-N193 PolarHBondContact N-O 2.96Å
194V85.9Confident73.5Confident37 Ų3780 Ų8022%0.22441%0.405CS..EExtended strand (participates in β ladder)trans-91.7128.9-174.4-1670000109.8D138 A141 L174D138-V194 VanDerWaalsContact CA-CG1 3.47Å; D138-V194 HydrophobicContact CB-CG1 4.12Å; D138-V194 WeakPolarHBondContact OD1-CG1 3.33Å; A141-V194 HydrophobicContact CB-CG1 3.72Å; A141-V194 HydrophobicContact CB-CG2 4.08Å; L174-V194 HydrophobicContact CD1-CG2 3.84Å
195V84.3Confident73.4Confident26 Ų2682.8 Ų82.816%0.15842%0.418CS..EExtended strand (participates in β ladder)trans-137.8148.2-176.8-63.90000114T135 L136 T137 D138 I199 P208T135-V195 HydrophobicContact CG2-CG2 3.75Å; L136-V195 WeakPolarHBondContact O-CG2 3.48Å; L136-V195 PolarHBondContact O-N 2.95Å; T137-V195 WeakPolarHBondContact CA-O 3.43Å; D138-V195 PolarHBondContact N-O 2.82Å; V195-I199 HydrophobicContact CG1-CD1 3.95Å; V195-I199 HydrophobicContact CG2-CD1 4.12Å; V195-I199 HydrophobicContact CG2-CG1 4.23Å; V195-P208 HydrophobicContact CG2-CB 3.83Å; V195-P208 HydrophobicContact CG2-CG 4.13Å
196N73.8Confident73.3Confident145 Ų14576.9 Ų76.978%0.77540%0.398SS*.SBendtrans-77.5-17.5-179.2-92.2-107000114.5D138D138-N196 PolarHBondContact OD2-N 2.94Å; D138-N196 VanDerWaalsContact OD2-N 3.13Å; D138-N196 PolarHBondContact OD2-ND2 3.47Å
197S66.4Low73.2Confident86 Ų8683.8 Ų83.860%0.60142%0.422SS*.SBendtrans-162.1177.5-17662.90000114.2I199S197-I199 PolarHBondContact O-N 3.32Å
198L63.3Low73.3Confident97 Ų9783.7 Ų83.751%0.50842%0.422SS..  trans-57.9126.3-179.1-73.5164000113Y200 R207L198-Y200 HydrophobicContact CB-CE2 4.45Å; L198-R207 HydrophobicContact CD2-CB 4.38Å; L198-R207 HydrophobicContact CD2-CG 3.94Å
199I60.8Low73.4Confident49 Ų4984.4 Ų84.425%0.25143%0.425SS..EExtended strand (participates in β ladder)trans-93.9123.2177.8-44.2175.2000110T135 V195 S197 K201 I206T135-I199 HydrophobicContact CG2-CD1 3.85Å; V195-I199 HydrophobicContact CG1-CD1 3.95Å; V195-I199 HydrophobicContact CG2-CD1 4.12Å; V195-I199 HydrophobicContact CG2-CG1 4.23Å; S197-I199 PolarHBondContact O-N 3.32Å; I199-K201 HydrophobicContact CG2-CB 4.43Å; I199-I206 HydrophobicContact CB-CB 4.3Å; I199-I206 PolarHBondContact N-O 3.02Å; I199-I206 PolarHBondContact O-N 3.37Å
200Y57.7Low73.2Confident183 Ų18385.6 Ų85.672%0.71843%0.431SS*.EExtended strand (participates in β ladder)trans-95.4112.1168-67.8-94.3000109L198 T205L198-Y200 HydrophobicContact CB-CE2 4.45Å; Y200-T205 HydrophobicContact CD1-CG2 3.94Å; Y200-T205 HydrophobicContact CE1-CG2 3.65Å
201K54.8Low72.8Confident92 Ų9286.9 Ų86.940%0.444%0.441SS..EExtended strand (participates in β ladder)trans-130.8121.5-175.3-162.5-178.6-178.5-1770108.5E121 I199 S203 Q204 I206E121-K201 WeakPolarHBondContact OE1-CD 3.48Å; E121-K201 IonicContact OE1-NZ 3.69Å; E121-K201 PolarHBondContact OE1-NZ 2.93Å; E121-K201 IonicContact OE2-NZ 3.96Å; E121-K201 PolarHBondContact OE2-NZ 3.31Å; I199-K201 HydrophobicContact CG2-CB 4.43Å; K201-S203 PolarHBondContact O-N 3.44Å; K201-Q204 PolarHBondContact N-O 2.95Å; K201-Q204 VanDerWaalsContact N-O 3.08Å; K201-Q204 PolarHBondContact O-N 3.31Å; K201-Q204 VanDerWaalsContact O-O 3.08Å; K201-I206 HydrophobicContact CB-CD1 3.82Å; K201-I206 HydrophobicContact CD-CD1 3.56Å; K201-I206 HydrophobicContact CG-CD1 4.36Å
202N52.8Low72.4Confident152 Ų15285 Ų8581%0.81344%0.444SS*.THydrogen-bonded Turntrans43.752.6178.5-63.7-9000114.9Q204N202-Q204 PolarHBondContact O-N 2.61Å; N202-Q204 VanDerWaalsContact O-N 3.09Å
203S53.9Low72.2Confident136 Ų13684 Ų8495%0.95144%0.44SS*.THydrogen-bonded Turntrans63.27.6-179.8-54.70000116.2K201K201-S203 PolarHBondContact O-N 3.44Å
204Q57.8Low72.2Confident143 Ų14382.5 Ų82.567%0.66843%0.43SS*.EExtended strand (participates in β ladder)trans-109.3144172.6-64.7-179-14.900110.1K201 N202K201-Q204 PolarHBondContact N-O 2.95Å; K201-Q204 VanDerWaalsContact N-O 3.08Å; K201-Q204 PolarHBondContact O-N 3.31Å; K201-Q204 VanDerWaalsContact O-O 3.08Å; N202-Q204 PolarHBondContact O-N 2.61Å; N202-Q204 VanDerWaalsContact O-N 3.09Å
205T62.8Low72.5Confident76 Ų7685.6 Ų85.647%0.46644%0.442SS..EExtended strand (participates in β ladder)trans-94101.5177.752.90000110Y200 R207Y200-T205 HydrophobicContact CD1-CG2 3.94Å; Y200-T205 HydrophobicContact CE1-CG2 3.65Å; T205-R207 PolarHBondContact O-N 2.87Å
206I67.9Low72.8Confident22 Ų2284.8 Ų84.811%0.11344%0.438CS..EExtended strand (participates in β ladder)trans-75.1123.9168.8-61.1173.1000106.7L118 E121 I199 K201L118-I206 WeakPolarHBondContact O-CG2 3.39Å; E121-I206 VanDerWaalsContact OE1-CD1 3.26Å; E121-I206 WeakPolarHBondContact OE1-CD1 3.43Å; I199-I206 HydrophobicContact CB-CB 4.3Å; I199-I206 PolarHBondContact N-O 3.02Å; I199-I206 PolarHBondContact O-N 3.37Å; K201-I206 HydrophobicContact CB-CD1 3.82Å; K201-I206 HydrophobicContact CD-CD1 3.56Å; K201-I206 HydrophobicContact CG-CD1 4.36Å
207R78.6Confident73.5Confident153 Ų15381.1 Ų81.158%0.57742%0.418SS*.  trans-102.9105175.7-68.7-176.3170.8-159.3-4.1107L118 F119 L198 T205L118-R207 HydrophobicContact CB-CB 4.41Å; L118-R207 PolarHBondContact O-N 3.43Å; L118-R207 VanDerWaalsContact O-O 3.09Å; F119-R207 WeakPolarHBondContact CB-O 3.39Å; L198-R207 HydrophobicContact CD2-CB 4.38Å; L198-R207 HydrophobicContact CD2-CG 3.94Å; T205-R207 PolarHBondContact O-N 2.87Å
208P83.5Confident74.5Confident16 Ų1680.7 Ų80.710%0.10441%0.407CS..  trans-57.2146.6177.727.6-34.9000109.5T135 T137 V195 D210T135-P208 HydrophobicContact CG2-CB 3.92Å; T137-P208 HydrophobicContact CG2-CB 4.11Å; T137-P208 HydrophobicContact CG2-CG 3.93Å; V195-P208 HydrophobicContact CG2-CB 3.83Å; V195-P208 HydrophobicContact CG2-CG 4.13Å; P208-D210 PolarHBondContact O-N 2.92Å; P208-D210 VanDerWaalsContact O-N 3.15Å
209F87.1Confident75.6Confident14 Ų1483 Ų836%0.06141%0.409CS..BIsolated β-bridgetrans-68.2115.2178.4179.2-101.6000110L105 A109 F119 Y134 T135 L136 T137 M140 S211L105-F209 HydrophobicContact CD1-CZ 4.12Å; L105-F209 HydrophobicContact CG-CE1 4.42Å; L105-F209 HydrophobicContact CG-CZ 4.24Å; A109-F209 HydrophobicContact CB-CD2 3.85Å; A109-F209 HydrophobicContact CB-CE1 4.1Å; A109-F209 HydrophobicContact CB-CE2 3.25Å; A109-F209 HydrophobicContact CB-CG 4.49Å; A109-F209 HydrophobicContact CB-CZ 3.39Å; F119-F209 HydrophobicContact CB-CB 4.16Å; F119-F209 HydrophobicContact CD1-CB 4.34Å; F119-F209 HydrophobicContact CD1-CD2 4.37Å; F119-F209 HydrophobicContact CD2-CB 4.21Å; F119-F209 HydrophobicContact CE1-CD2 4.1Å; F119-F209 HydrophobicContact CE2-CD2 4.47Å; F119-F209 HydrophobicContact CG-CB 4.01Å; F119-F209 HydrophobicContact CZ-CD2 4.14Å; Y134-F209 HydrophobicContact CE2-CB 3.75Å; Y134-F209 HydrophobicContact CE2-CG 4.24Å; Y134-F209 WeakPolarHBondContact OH-CD1 3.48Å; T135-F209 PolarHBondContact O-N 3.24Å; L136-F209 HydrophobicContact CD2-CB 4.09Å; L136-F209 HydrophobicContact CD2-CD1 4.18Å; T137-F209 PolarHBondContact N-O 2.94Å; T137-F209 PolarHBondContact OG1-O 2.92Å; M140-F209 HydrophobicContact CE-CE1 4.32Å; M140-F209 HydrophobicContact CG-CD1 4.16Å; M140-F209 HydrophobicContact CG-CE1 4.29Å; M140-F209 HydrophobicContact SD-CE1 4.15Å; F209-S211 WeakPolarHBondContact CE1-OG 3.46Å; F209-S211 WeakPolarHBondContact CZ-OG 3.31Å
210D84.5Confident76.9Confident91 Ų9181 Ų8149%0.48740%0.399SS..  trans-133.1131.3174.8-162.137.1000108.1T137 H139 P208T137-D210 HydrophobicContact CG2-CB 3.57Å; T137-D210 PolarHBondContact OG1-OD1 3.13Å; H139-D210 IonicContact CE1-OD1 2.7Å; H139-D210 IonicContact CG-OD1 2.72Å; H139-D210 IonicContact ND1-OD1 2.96Å; H139-D210 PolarHBondContact ND1-OD1 2.91Å; P208-D210 PolarHBondContact O-N 2.92Å; P208-D210 VanDerWaalsContact O-N 3.15Å
211S81.8Confident78.1Confident33 Ų3375.2 Ų75.223%0.23138%0.384CS..  trans-156.5167.7-179.261.10000110.5L105 F209 A213L105-S211 WeakPolarHBondContact CD2-OG 3.43Å; F209-S211 WeakPolarHBondContact CE1-OG 3.46Å; F209-S211 WeakPolarHBondContact CZ-OG 3.31Å; S211-A213 VanDerWaalsContact C-N 3.33Å; S211-A213 PolarHBondContact O-N 3.43Å
212L82.4Confident79.2Confident143 Ų14376.4 Ų76.475%0.74939%0.388SS*.  trans-75.385.3-177.5-172.866.3000111
213A86.7Confident80.2Confident7 Ų775.1 Ų75.16%0.05837%0.372CS..  trans-71.9159.5167.300000111.7N102 L105 M140 T143 S211N102-A213 WeakPolarHBondContact OD1-CA 3.46Å; N102-A213 WeakPolarHBondContact OD1-CB 3.47Å; L105-A213 HydrophobicContact CD2-CB 4.24Å; M140-A213 HydrophobicContact CE-CB 4.45Å; M140-A213 HydrophobicContact SD-CB 3.93Å; T143-A213 HydrophobicContact CG2-CB 3.61Å; S211-A213 VanDerWaalsContact C-N 3.33Å; S211-A213 PolarHBondContact O-N 3.43Å
214Y90.1Very high81Confident32 Ų3272 Ų7213%0.12536%0.355CS..  trans-104.3132.1-176.2-56.3-78.2000111.3A101 N102 V220 P221A101-Y214 HydrophobicContact CB-CD2 3.77Å; A101-Y214 HydrophobicContact CB-CE2 4.07Å; N102-Y214 PolarHBondContact ND2-O 3.33Å; N102-Y214 PolarHBondContact OD1-N 3.34Å; Y214-V220 HydrophobicContact CD2-CG2 4.21Å; Y214-V220 HydrophobicContact CE2-CG1 4.27Å; Y214-V220 HydrophobicContact CG-CG2 4.13Å; Y214-P221 VanDerWaalsContact CE1-CD 3.49Å; Y214-P221 HydrophobicContact CE1-CG 4.23Å
215Q91.3Very high81.3Confident101 Ų10168.7 Ų68.747%0.47235%0.348SS..  trans-75.1152.5170.2-61.6176.2-1600110.2A98 N217 Q218A98-Q215 WeakPolarHBondContact CB-O 3.29Å; Q215-N217 WeakPolarHBondContact CB-OD1 3.3Å; Q215-N217 PolarHBondContact O-N 2.9Å; Q215-N217 VanDerWaalsContact O-N 3.13Å; Q215-Q218 HydrophobicContact CB-CG 3.98Å; Q215-Q218 WeakPolarHBondContact O-CB 3.41Å; Q215-Q218 PolarHBondContact O-N 2.89Å
216C90Very high81.6Confident9 Ų965.9 Ų65.96%0.06133%0.33CS..THydrogen-bonded Turntrans-64.5-21.2-174.663.70000114.3C232 C237C216-C232 HydrophobicContact CB-CB 4.12Å; C216-C232 WeakPolarHBondContact O-CB 3.41Å; C216-C232 PolarHBondContact O-N 3.33Å; C216-C232 PolarHBondContact O-SG 2.91Å; C216-C232 VanDerWaalsContact O-SG 3.36Å; C216-C237 HydrophobicContact CB-CB 3.61Å; C216-C237 WeakPolarHBondContact CB-SG 3.36Å; C216-C237 WeakPolarHBondContact SG-CB 3.13Å; C216-C237 CovalentContact SG-SG 2.04Å; C216-C237 PolarHBondContact SG-SG 3.09Å
217N89.1Confident81.4Confident69 Ų6968.8 Ų68.837%0.36935%0.35SS..THydrogen-bonded Turntrans-87.52.7173.263.1-2.1000114.2Q215 A231 S239 A240Q215-N217 WeakPolarHBondContact CB-OD1 3.3Å; Q215-N217 PolarHBondContact O-N 2.9Å; Q215-N217 VanDerWaalsContact O-N 3.13Å; N217-A231 WeakPolarHBondContact O-CB 3.32Å; N217-S239 VanDerWaalsContact CB-O 3.3Å; N217-S239 WeakPolarHBondContact CB-O 3.41Å; N217-S239 PolarHBondContact ND2-O 3.13Å; N217-S239 VanDerWaalsContact ND2-O 3.12Å; N217-A240 HydrophobicContact CB-CB 4.03Å
218Q88.6Confident81.3Confident76 Ų7662.3 Ų62.336%0.35533%0.331SS..SBendtrans-102.3151.3179.6-64.6172.70.700111.9Q215 A231Q215-Q218 HydrophobicContact CB-CG 3.98Å; Q215-Q218 WeakPolarHBondContact O-CB 3.41Å; Q215-Q218 PolarHBondContact O-N 2.89Å; Q218-A231 WeakPolarHBondContact O-CA 3.35Å
219R86.3Confident81Confident147 Ų14761.8 Ų61.856%0.55533%0.328SS*.PPolyproline II helixtrans-80.3132.3176-167.6-179.9-170.4166.99110.9G229 D1132R219-G229 WeakPolarHBondContact CG-O 3.33Å; R219-D1132 IonicContact NH2-OD2 2.71Å; R219-D1132 PolarHBondContact NH2-OD2 2.04Å
220V86.7Confident80.7Confident6 Ų662.6 Ų62.64%0.03634%0.335CS..BIsolated β-bridgetrans-81.5121.3170.3-177.70000109.5P97 A98 A101 Y214 G229P97-V220 HydrophobicContact CB-CG2 4.17Å; A98-V220 HydrophobicContact CB-CG2 4.3Å; A101-V220 HydrophobicContact CB-CG1 4.05Å; A101-V220 HydrophobicContact CB-CG2 4.02Å; Y214-V220 HydrophobicContact CD2-CG2 4.21Å; Y214-V220 HydrophobicContact CE2-CG1 4.27Å; Y214-V220 HydrophobicContact CG-CG2 4.13Å; V220-G229 PolarHBondContact N-O 3.43Å; V220-G229 PolarHBondContact O-N 2.92Å
221P84.4Confident80.7Confident62 Ų6260 Ų6040%0.40333%0.326SS..PPolyproline II helixtrans-73.7146.8-177.930.8-35000112.1Y214Y214-P221 VanDerWaalsContact CE1-CD 3.49Å; Y214-P221 HydrophobicContact CE1-CG 4.23Å
222K77.2Confident80.9Confident116 Ų11658.7 Ų58.750%0.50432%0.317SS..PPolyproline II helixtrans-68.6132.5174.2-42.1-155.1174.5-118.50109.6D226 P227 D1132K222-D226 WeakPolarHBondContact CA-O 3.27Å; K222-P227 WeakPolarHBondContact CD-O 3.47Å; K222-P227 WeakPolarHBondContact CE-O 3.18Å; K222-P227 WeakPolarHBondContact CG-O 3.38Å; K222-P227 PolarHBondContact NZ-O 3.46Å; K222-D1132 IonicContact NZ-OD1 3.86Å; K222-D1132 PolarHBondContact NZ-OD1 3.36Å
223R73.7Confident80.9Confident125 Ų12552.5 Ų52.547%0.47229%0.286SS..BIsolated β-bridgetrans-150.4131-174.5179.7176.6-82.6-170.8-9111.5P63 N64 S225 D226P63-R223 HydrophobicContact CB-CB 4.32Å; P63-R223 HydrophobicContact CB-CG 4.13Å; P63-R223 WeakPolarHBondContact CB-O 3.26Å; P63-R223 WeakPolarHBondContact O-CD 3.37Å; N64-R223 WeakPolarHBondContact OD1-CD 3.29Å; N64-R223 PolarHBondContact OD1-NH1 3.16Å; R223-S225 PolarHBondContact O-N 2.95Å; R223-S225 VanDerWaalsContact O-N 3.15Å; R223-D226 PolarHBondContact N-O 2.94Å; R223-D226 VanDerWaalsContact N-O 3.1Å; R223-D226 VanDerWaalsContact O-CB 3.23Å; R223-D226 WeakPolarHBondContact O-CB 3.48Å; R223-D226 PolarHBondContact O-N 3.46Å
224A70Confident80.5Confident72 Ų7254.7 Ų54.760%0.59530%0.3SS*.THydrogen-bonded Turntrans52.5-113.7-175.400000111.8P63P63-A224 HydrophobicContact CB-CB 4.16Å
225S65.3Low79.9Confident73 Ų7355.6 Ų55.651%0.5131%0.306SS..THydrogen-bonded Turntrans-97.2-1.3174.8-49.20000113.6S59 R223S59-S225 WeakPolarHBondContact CB-OG 3.35Å; S59-S225 WeakPolarHBondContact O-CB 3.29Å; S59-S225 PolarHBondContact O-N 3.36Å; S59-S225 PolarHBondContact OG-OG 2.96Å; R223-S225 PolarHBondContact O-N 2.95Å; R223-S225 VanDerWaalsContact O-N 3.15Å
226D67.7Low79.4Confident17 Ų1750.8 Ų50.89%0.09128%0.284CS..BIsolated β-bridgetrans-78.4121.4178.9-169.9-30.6000110.7P63 R104 K222 R223 G228P63-D226 HydrophobicContact CB-CB 3.91Å; P63-D226 HydrophobicContact CG-CB 3.78Å; R104-D226 IonicContact CZ-OD2 2.66Å; R104-D226 IonicContact NH1-OD2 2.69Å; R104-D226 PolarHBondContact NH1-OD2 3.36Å; R104-D226 IonicContact NH2-OD2 2.75Å; R104-D226 PolarHBondContact NH2-OD2 3.2Å; K222-D226 WeakPolarHBondContact CA-O 3.27Å; R223-D226 PolarHBondContact N-O 2.94Å; R223-D226 VanDerWaalsContact N-O 3.1Å; R223-D226 VanDerWaalsContact O-CB 3.23Å; R223-D226 WeakPolarHBondContact O-CB 3.48Å; R223-D226 PolarHBondContact O-N 3.46Å; D226-G228 PolarHBondContact O-N 2.83Å; D226-G228 VanDerWaalsContact O-N 3.16Å; D226-G228 WeakPolarHBondContact OD1-CA 3.31Å; D226-G228 PolarHBondContact OD1-N 3.43Å
227P65.4Low79.2Confident82 Ų8250.4 Ų50.453%0.53228%0.281SS..  trans-70.4-2.3178.332-37.4000113.9K222K222-P227 WeakPolarHBondContact CD-O 3.47Å; K222-P227 WeakPolarHBondContact CE-O 3.18Å; K222-P227 WeakPolarHBondContact CG-O 3.38Å; K222-P227 PolarHBondContact NZ-O 3.46Å
228G75.7Confident78.9Confident18 Ų1850 Ų5019%0.18628%0.284CS..  trans61.8-157.6-174.200000111.9D226D226-G228 PolarHBondContact O-N 2.83Å; D226-G228 VanDerWaalsContact O-N 3.16Å; D226-G228 WeakPolarHBondContact OD1-CA 3.31Å; D226-G228 PolarHBondContact OD1-N 3.43Å
229G76.7Confident78.7Confident4 Ų450 Ų504%0.04129%0.292CS..BIsolated β-bridgetrans-169.4159.517500000113.4R219 V220R219-G229 WeakPolarHBondContact CG-O 3.33Å; V220-G229 PolarHBondContact N-O 3.43Å; V220-G229 PolarHBondContact O-N 2.92Å
230P80.9Confident78.5Confident32 Ų3244.5 Ų44.521%0.20828%0.278CS..PPolyproline II helixtrans-62.1173.8169.731.6-38.6000111.7
231A84.2Confident77.9Confident35 Ų3546.6 Ų46.629%0.28929%0.292SS..PPolyproline II helixtrans-61156.2163.500000110.8N217 Q218 T1057N217-A231 WeakPolarHBondContact O-CB 3.32Å; Q218-A231 WeakPolarHBondContact O-CA 3.35Å; A231-T1057 WeakPolarHBondContact O-CG2 3.42Å
232C86.5Confident77.1Confident6 Ų647 Ų474%0.04130%0.297CS..PPolyproline II helixtrans-70.1155.8-178.5-54.40000111.8C96 C216 C237 A240 T1057C96-C232 VanDerWaalsContact C-SG 3.57Å; C96-C232 WeakPolarHBondContact CA-SG 3.4Å; C96-C232 HydrophobicContact CB-CB 3.74Å; C96-C232 WeakPolarHBondContact CB-SG 3.4Å; C96-C232 WeakPolarHBondContact SG-CB 3.24Å; C96-C232 CovalentContact SG-SG 2.03Å; C96-C232 PolarHBondContact SG-SG 3.15Å; C216-C232 HydrophobicContact CB-CB 4.12Å; C216-C232 WeakPolarHBondContact O-CB 3.41Å; C216-C232 PolarHBondContact O-N 3.33Å; C216-C232 PolarHBondContact O-SG 2.91Å; C216-C232 VanDerWaalsContact O-SG 3.36Å; C232-C237 HydrophobicContact CB-CB 3.88Å; C232-A240 WeakPolarHBondContact O-CB 3.13Å; C232-T1057 HydrophobicContact CB-CG2 4.49Å
233S81.4Confident76.2Confident14 Ų1447.8 Ų47.810%0.09832%0.316CS..PPolyproline II helixtrans-66.9158.1-178.287.90000111.1M235 D236 C237S233-M235 PolarHBondContact O-N 2.99Å; S233-M235 WeakPolarHBondContact OG-CB 3.08Å; S233-M235 PolarHBondContact OG-N 3.3Å; S233-M235 VanDerWaalsContact OG-N 3.13Å; S233-D236 CarbonylContact O-C 3.55Å; S233-D236 PolarHBondContact O-N 2.98Å; S233-D236 VanDerWaalsContact O-N 3.1Å; S233-D236 PolarHBondContact OG-N 2.84Å; S233-D236 PolarHBondContact OG-OD2 3.34Å; S233-C237 WeakPolarHBondContact O-CB 3.48Å; S233-C237 PolarHBondContact O-N 3.22Å
234C79.9Confident75.4Confident53 Ų5349.3 Ų49.336%0.35833%0.329SS..THydrogen-bonded Turntrans-62.4-24.2170.8167.60000112.7C241C234-C241 VanDerWaalsContact CA-SG 3.51Å; C234-C241 HydrophobicContact CB-CB 4Å; C234-C241 WeakPolarHBondContact CB-SG 3.31Å; C234-C241 PolarHBondContact O-SG 2.9Å; C234-C241 WeakPolarHBondContact SG-CB 3.39Å; C234-C241 CovalentContact SG-SG 2.04Å; C234-C241 PolarHBondContact SG-SG 3.47Å
235M76.5Confident74.8Confident50 Ų5050.8 Ų50.825%0.24633%0.333CS..THydrogen-bonded Turntrans-72.2-33.8173.2-175.3-171.1-80.800112R95 T152 S233 I1065 S1069R95-M235 PolarHBondContact NH2-SD 3.41Å; T152-M235 HydrophobicContact CG2-CG 4.43Å; S233-M235 PolarHBondContact O-N 2.99Å; S233-M235 WeakPolarHBondContact OG-CB 3.08Å; S233-M235 PolarHBondContact OG-N 3.3Å; S233-M235 VanDerWaalsContact OG-N 3.13Å; M235-I1065 HydrophobicContact CE-CG2 3.68Å; M235-S1069 VanDerWaalsContact CE-OG 3.26Å; M235-S1069 WeakPolarHBondContact CE-OG 3.31Å
236D81.3Confident74.6Confident1 Ų149.2 Ų49.21%0.00532%0.321CS..THydrogen-bonded Turntrans-98.6-6.8-176.2-59.9-66.3000113.6R95 E150 T152 S233R95-D236 VanDerWaalsContact CD-OD1 3.29Å; R95-D236 WeakPolarHBondContact CD-OD1 3.45Å; R95-D236 IonicContact CZ-OD1 3.36Å; R95-D236 IonicContact CZ-OD2 2.74Å; R95-D236 VanDerWaalsContact NE-CG 3.25Å; R95-D236 IonicContact NE-OD1 3.56Å; R95-D236 PolarHBondContact NE-OD1 3.46Å; R95-D236 IonicContact NE-OD2 3.55Å; R95-D236 PolarHBondContact NE-OD2 3.02Å; R95-D236 IonicContact NH2-OD2 2.7Å; E150-D236 CarbonylContact C-O 3.55Å; E150-D236 WeakPolarHBondContact CB-O 3.39Å; E150-D236 WeakPolarHBondContact O-CA 3.46Å; T152-D236 PolarHBondContact N-OD1 2.87Å; T152-D236 PolarHBondContact OG1-OD1 3.46Å; S233-D236 CarbonylContact O-C 3.55Å; S233-D236 PolarHBondContact O-N 2.98Å; S233-D236 VanDerWaalsContact O-N 3.1Å; S233-D236 PolarHBondContact OG-N 2.84Å; S233-D236 PolarHBondContact OG-OD2 3.34Å
237C86.4Confident74.5Confident0 Ų052.1 Ų52.10%034%0.336CS..  trans-158.897.2-175.3177.20000109.8C216 C232 S233 S239 A240C216-C237 HydrophobicContact CB-CB 3.61Å; C216-C237 WeakPolarHBondContact CB-SG 3.36Å; C216-C237 WeakPolarHBondContact SG-CB 3.13Å; C216-C237 CovalentContact SG-SG 2.04Å; C216-C237 PolarHBondContact SG-SG 3.09Å; C232-C237 HydrophobicContact CB-CB 3.88Å; S233-C237 WeakPolarHBondContact O-CB 3.48Å; S233-C237 PolarHBondContact O-N 3.22Å; C237-S239 PolarHBondContact O-N 3.18Å; C237-S239 VanDerWaalsContact O-N 3.1Å; C237-A240 HydrophobicContact CB-CB 4.09Å; C237-A240 WeakPolarHBondContact O-CB 3.17Å; C237-A240 PolarHBondContact O-N 2.87Å
238S81.9Confident74.6Confident62 Ų6250.4 Ų50.443%0.43432%0.322SS..G310 helixtrans-52.9-31.8173.956.80000113E150 A240 C241E150-S238 PolarHBondContact OE1-OG 2.79Å; E150-S238 WeakPolarHBondContact OE2-CB 3.43Å; E150-S238 PolarHBondContact OE2-N 3.27Å; E150-S238 PolarHBondContact OE2-OG 3.49Å; S238-A240 PolarHBondContact O-N 2.74Å; S238-C241 WeakPolarHBondContact O-CB 3.3Å; S238-C241 PolarHBondContact O-N 3.16Å
239S84.1Confident74.4Confident75 Ų7550.4 Ų50.452%0.52432%0.319SS..G310 helixtrans-74.4-3.2178-58.90000114.5N217 C237N217-S239 VanDerWaalsContact CB-O 3.3Å; N217-S239 WeakPolarHBondContact CB-O 3.41Å; N217-S239 PolarHBondContact ND2-O 3.13Å; N217-S239 VanDerWaalsContact ND2-O 3.12Å; C237-S239 PolarHBondContact O-N 3.18Å; C237-S239 VanDerWaalsContact O-N 3.1Å
240A82Confident74Confident32 Ų3255.4 Ų55.426%0.26435%0.351SS..G310 helixtrans-103.1-5.5170.600000112.9N217 C232 C237 S238N217-A240 HydrophobicContact CB-CB 4.03Å; C232-A240 WeakPolarHBondContact O-CB 3.13Å; C237-A240 HydrophobicContact CB-CB 4.09Å; C237-A240 WeakPolarHBondContact O-CB 3.17Å; C237-A240 PolarHBondContact O-N 2.87Å; S238-A240 PolarHBondContact O-N 2.74Å
241C75.9Confident73.3Confident49 Ų4960 Ų6033%0.33137%0.369SS..SBendtrans-70.6144.4176.3-60.40000112.1C234 S238C234-C241 VanDerWaalsContact CA-SG 3.51Å; C234-C241 HydrophobicContact CB-CB 4Å; C234-C241 WeakPolarHBondContact CB-SG 3.31Å; C234-C241 PolarHBondContact O-SG 2.9Å; C234-C241 WeakPolarHBondContact SG-CB 3.39Å; C234-C241 CovalentContact SG-SG 2.04Å; C234-C241 PolarHBondContact SG-SG 3.47Å; S238-C241 WeakPolarHBondContact O-CB 3.3Å; S238-C241 PolarHBondContact O-N 3.16Å
242S66.2Low72.3Confident72 Ų7262.9 Ų62.950%0.50339%0.385SS..  trans-66.1138.3165.243.60000110.4E244S242-E244 PolarHBondContact O-N 3.25Å
243S58.2Low70.9Confident131 Ų13168.2 Ų68.292%0.91642%0.423SS*.SBendtrans-74.73.8179.253.30000114.9
244E57.8Low70.2Confident157 Ų15775.3 Ų75.373%0.73445%0.454SS*.SBendtrans-70.3127.5173-171.4167-14800109.5S242S242-E244 PolarHBondContact O-N 3.25Å
245P57.9Low69.7Low104 Ų10476 Ų7668%0.67546%0.458SS*.PPolyproline II helixtrans-62.4142.517727.4-34.6000109.7
246P60.1Low69.9Low39 Ų3978.1 Ų78.125%0.25347%0.474SS..PPolyproline II helixtrans-60.2151.7-178.824.4-33.5000111.6L248 Y1074P246-L248 VanDerWaalsContact C-N 3.25Å; P246-L248 HydrophobicContact CG-CD2 4.48Å; P246-L248 HydrophobicContact CG-CG 4.34Å; P246-L248 PolarHBondContact O-N 3.47Å; P246-Y1074 HydrophobicContact CG-CD2 3.95Å; P246-Y1074 HydrophobicContact CG-CE2 3.6Å
247D64.9Low70Confident78 Ų7884.1 Ų84.142%0.41750%0.5SS..  trans-56.987167.7-103.4-38.8000109.5Y1208 Y1209 K1212D247-Y1208 HydrophobicContact CB-CE1 4.33Å; D247-Y1208 PolarHBondContact OD1-OH 3.12Å; D247-Y1209 VanDerWaalsContact O-CE1 3.22Å; D247-Y1209 WeakPolarHBondContact O-CE1 3.32Å; D247-Y1209 PolarHBondContact O-OH 3.17Å; D247-K1212 IonicContact OD1-NZ 2.78Å; D247-K1212 PolarHBondContact OD1-NZ 3Å; D247-K1212 WeakPolarHBondContact OD2-CE 3.43Å; D247-K1212 IonicContact OD2-NZ 3.85Å; D247-K1212 PolarHBondContact OD2-NZ 3.12Å
248L69.1Low70Confident47 Ų4787.3 Ų87.325%0.24652%0.516CS..PPolyproline II helixtrans-82.6137.3176.2-71.8169.3000109.1P246 Y1074 R1077P246-L248 VanDerWaalsContact C-N 3.25Å; P246-L248 HydrophobicContact CG-CD2 4.48Å; P246-L248 HydrophobicContact CG-CG 4.34Å; P246-L248 PolarHBondContact O-N 3.47Å; L248-Y1074 HydrophobicContact CD2-CG 4.18Å; L248-R1077 HydrophobicContact CD2-CB 4.16Å
249P71.1Confident70.2Confident17 Ų1793.3 Ų93.311%0.1154%0.535CS..PPolyproline II helixtrans-60.5147.3174.226.5-34.7000110.2Q251 R1077 A1205 Y1208 Y1209P249-Q251 PolarHBondContact O-N 2.85Å; P249-R1077 WeakPolarHBondContact CG-O 3.26Å; P249-A1205 HydrophobicContact CG-CB 4.28Å; P249-Y1208 HydrophobicContact CB-CD1 4.19Å; P249-Y1208 HydrophobicContact CB-CG 4.33Å; P249-Y1209 WeakPolarHBondContact CD-OH 3.21Å
250P68.9Low70.2Confident110 Ų11092.8 Ų92.871%0.71454%0.541SS*.PPolyproline II helixtrans-60.2130.7178.525.6-34000110
251Q65.1Low70.2Confident127 Ų12795 Ų9559%0.59355%0.548SS*.PPolyproline II helixtrans-64.7147.4174.4-69.2-172.8-86.200110.2P249 S253P249-Q251 PolarHBondContact O-N 2.85Å; Q251-S253 PolarHBondContact O-N 3.42Å
252P62.8Low70.7Confident96 Ų9694.7 Ų94.762%0.62354%0.543SS*.PPolyproline II helixtrans-59.5130.8170.626.6-34000109.4E254P252-E254 PolarHBondContact O-N 3.38Å
253S57.8Low71.9Confident118 Ų11893 Ų9383%0.82553%0.529SS*.PPolyproline II helixtrans-66.6124.4176.452.40000110.4Q251Q251-S253 PolarHBondContact O-N 3.42Å
254E67.3Low73.4Confident163 Ų16392.1 Ų92.176%0.76251%0.506SS*.PPolyproline II helixtrans-59.6148.1169.5-69.7-169.4-168.600111.1P252 T256P252-E254 PolarHBondContact O-N 3.38Å; E254-T256 PolarHBondContact O-N 3Å
255P68.6Low74.8Confident68 Ų6888.4 Ų88.444%0.44249%0.491SS..PPolyproline II helixtrans-60.3128.8177.225.1-34.1000110.4N999P255-N999 WeakPolarHBondContact CB-ND2 3.45Å
256T80Confident76.4Confident94 Ų9486.6 Ų86.658%0.57747%0.472SS*.PPolyproline II helixtrans-67.2137.7-178.244.10000111.1E254 V263E254-T256 PolarHBondContact O-N 3Å; T256-V263 VanDerWaalsContact O-CG2 3.26Å; T256-V263 WeakPolarHBondContact O-CG2 3.48Å; T256-V263 PolarHBondContact O-N 2.86Å
257K84.6Confident77.9Confident127 Ų12787 Ų8755%0.55248%0.476SS*.EExtended strand (participates in β ladder)trans-125.4137.5-176.1-65.1172.2-170168.40111.1I261K257-I261 CarbonylContact C-O 3.57Å; K257-I261 WeakPolarHBondContact CA-O 3.2Å; K257-I261 WeakPolarHBondContact CB-O 3.27Å
258I86.4Confident79.2Confident67 Ų6783.7 Ų83.734%0.34446%0.46SS..EExtended strand (participates in β ladder)trans-114.5123.7173.5-72.7171.8000107.4G260 I261 V263 F266I258-G260 PolarHBondContact O-N 3.33Å; I258-G260 VanDerWaalsContact O-N 3.09Å; I258-I261 PolarHBondContact N-O 2.88Å; I258-I261 PolarHBondContact O-N 3.47Å; I258-V263 HydrophobicContact CD1-CG2 3.78Å; I258-V263 HydrophobicContact CG1-CG2 3.78Å; I258-F266 HydrophobicContact CB-CD1 4.47Å; I258-F266 HydrophobicContact CD1-CD1 4.38Å; I258-F266 HydrophobicContact CG2-CD1 4Å; I258-F266 HydrophobicContact CG2-CE1 3.97Å; I258-F266 HydrophobicContact CG2-CG 4.39Å; I258-F266 HydrophobicContact CG2-CZ 4.35Å
259F85.1Confident80.2Confident189 Ų18988.7 Ų88.783%0.82948%0.477SS*.THydrogen-bonded Turntrans51.528.4-172.4-54-64000114.4I261 F266F259-I261 PolarHBondContact O-N 3.09Å; F259-F266 HydrophobicContact CD2-CE2 4.49Å; F259-F266 HydrophobicContact CE2-CZ 4.48Å
260G83.7Confident81.3Confident63 Ų6391.4 Ų91.465%0.64949%0.49SS*.THydrogen-bonded Turntrans82.4-12-175.600000115I258I258-G260 PolarHBondContact O-N 3.33Å; I258-G260 VanDerWaalsContact O-N 3.09Å
261I83.5Confident82.4Confident80 Ų8089.6 Ų89.641%0.4148%0.476SS..EExtended strand (participates in β ladder)trans-85.1150174.5-56.6175000109.2K257 I258 F259 L265 F266K257-I261 CarbonylContact C-O 3.57Å; K257-I261 WeakPolarHBondContact CA-O 3.2Å; K257-I261 WeakPolarHBondContact CB-O 3.27Å; I258-I261 PolarHBondContact N-O 2.88Å; I258-I261 PolarHBondContact O-N 3.47Å; F259-I261 PolarHBondContact O-N 3.09Å; I261-L265 HydrophobicContact CG2-CB 4.33Å; I261-L265 HydrophobicContact CG2-CD2 3.85Å; I261-F266 HydrophobicContact CG2-CB 4.34Å
262D86.2Confident83.8Confident41 Ų4186 Ų8622%0.21946%0.459CS..EExtended strand (participates in β ladder)trans-59.2135.3172.8-166.7-73.4000112W264 L265 F266 N999D262-W264 PolarHBondContact O-N 3.32Å; D262-W264 WeakPolarHBondContact OD1-CB 3.5Å; D262-W264 PolarHBondContact OD1-N 3.29Å; D262-L265 HydrophobicContact CB-CB 4.07Å; D262-L265 PolarHBondContact O-N 3.29Å; D262-F266 WeakPolarHBondContact O-CB 3.48Å; D262-F266 PolarHBondContact O-N 3.27Å; D262-N999 PolarHBondContact OD1-ND2 3.38Å; D262-N999 PolarHBondContact OD2-ND2 3.15Å
263V89.9Confident85.3Confident36 Ų3682.9 Ų82.922%0.21844%0.439CS..Hα-helixtrans-54.2-38.6179.1162.40000112.7T256 I258 S267T256-V263 VanDerWaalsContact O-CG2 3.26Å; T256-V263 WeakPolarHBondContact O-CG2 3.48Å; T256-V263 PolarHBondContact O-N 2.86Å; I258-V263 HydrophobicContact CD1-CG2 3.78Å; I258-V263 HydrophobicContact CG1-CG2 3.78Å; V263-S267 WeakPolarHBondContact O-CB 3.36Å; V263-S267 PolarHBondContact O-N 3.1Å; V263-S267 PolarHBondContact O-OG 3.27Å
264W90.1Very high87Confident114 Ų11482.5 Ų82.543%0.43243%0.427SS..Hα-helixtrans-75.7-40.9-178-60.2104.9000111.6D262 F266 S267 G268 S995 P998D262-W264 PolarHBondContact O-N 3.32Å; D262-W264 WeakPolarHBondContact OD1-CB 3.5Å; D262-W264 PolarHBondContact OD1-N 3.29Å; W264-F266 PolarHBondContact O-N 2.91Å; W264-S267 PolarHBondContact O-N 3.23Å; W264-S267 PolarHBondContact O-OG 3.2Å; W264-G268 PolarHBondContact O-N 3.03Å; W264-S995 WeakPolarHBondContact CB-O 3.18Å; W264-S995 WeakPolarHBondContact O-CB 3.36Å; W264-P998 HydrophobicContact CB-CG 4.35Å; W264-P998 HydrophobicContact CD2-CB 3.92Å; W264-P998 HydrophobicContact CD2-CG 3.68Å; W264-P998 HydrophobicContact CE3-CG 4.07Å; W264-P998 HydrophobicContact CG-CB 3.92Å; W264-P998 HydrophobicContact CG-CG 3.8Å; W264-P998 HydrophobicContact CZ2-CB 4.26Å
265L88.7Confident88.1Confident79 Ų7978.4 Ų78.441%0.41441%0.41SS..Hα-helixtrans-64-41.3175.7-164.2151.5000111.4I261 D262 G268 Y269I261-L265 HydrophobicContact CG2-CB 4.33Å; I261-L265 HydrophobicContact CG2-CD2 3.85Å; D262-L265 HydrophobicContact CB-CB 4.07Å; D262-L265 PolarHBondContact O-N 3.29Å; L265-G268 PolarHBondContact O-N 3.1Å; L265-Y269 PolarHBondContact O-N 3.42Å; L265-Y269 VanDerWaalsContact O-N 3.12Å
266F91.4Very high89.1Confident66 Ų6676.8 Ų76.829%0.28940%0.398SS..Hα-helixtrans-62.9-44.7174.2-175.8-107.3000112.3I258 F259 I261 D262 W264 Y269 I270I258-F266 HydrophobicContact CB-CD1 4.47Å; I258-F266 HydrophobicContact CD1-CD1 4.38Å; I258-F266 HydrophobicContact CG2-CD1 4Å; I258-F266 HydrophobicContact CG2-CE1 3.97Å; I258-F266 HydrophobicContact CG2-CG 4.39Å; I258-F266 HydrophobicContact CG2-CZ 4.35Å; F259-F266 HydrophobicContact CD2-CE2 4.49Å; F259-F266 HydrophobicContact CE2-CZ 4.48Å; I261-F266 HydrophobicContact CG2-CB 4.34Å; D262-F266 WeakPolarHBondContact O-CB 3.48Å; D262-F266 PolarHBondContact O-N 3.27Å; W264-F266 PolarHBondContact O-N 2.91Å; F266-Y269 PolarHBondContact O-N 3.49Å; F266-I270 HydrophobicContact CD1-CD1 3.96Å; F266-I270 HydrophobicContact CE1-CD1 3.52Å; F266-I270 HydrophobicContact CZ-CD1 3.85Å; F266-I270 PolarHBondContact O-N 3.34Å
267S90.9Very high89.7Confident46 Ų4677.7 Ų77.732%0.32240%0.399SS..Hα-helixtrans-68.2-36.9177.6690000112.7V263 W264 Y269 I270 V271V263-S267 WeakPolarHBondContact O-CB 3.36Å; V263-S267 PolarHBondContact O-N 3.1Å; V263-S267 PolarHBondContact O-OG 3.27Å; W264-S267 PolarHBondContact O-N 3.23Å; W264-S267 PolarHBondContact O-OG 3.2Å; S267-Y269 PolarHBondContact O-N 2.92Å; S267-I270 PolarHBondContact O-N 2.93Å; S267-V271 WeakPolarHBondContact O-CG2 3.32Å; S267-V271 PolarHBondContact O-N 2.96Å
268G91.5Very high89.9Confident9 Ų973.4 Ų73.49%0.09339%0.391CS..Hα-helixtrans-59.8-41.7174.100000113.3W264 L265 V271 F272W264-G268 PolarHBondContact O-N 3.03Å; L265-G268 PolarHBondContact O-N 3.1Å; G268-V271 PolarHBondContact O-N 3.01Å; G268-F272 WeakPolarHBondContact O-CB 3.43Å; G268-F272 PolarHBondContact O-N 3.46Å
269Y91.7Very high90.1Very high153 Ų15371.6 Ų71.660%0.638%0.38SS*.Hα-helixtrans-64.2-40.5174.5178.5-96000112.7L265 F266 S267 F272 S273L265-Y269 PolarHBondContact O-N 3.42Å; L265-Y269 VanDerWaalsContact O-N 3.12Å; F266-Y269 PolarHBondContact O-N 3.49Å; S267-Y269 PolarHBondContact O-N 2.92Å; Y269-F272 PolarHBondContact O-N 3.39Å; Y269-S273 WeakPolarHBondContact O-CB 3.21Å; Y269-S273 PolarHBondContact O-N 3.49Å; Y269-S273 PolarHBondContact O-OG 2.91Å
270I93Very high90.2Very high74 Ų7464 Ų6438%0.37936%0.355SS..Hα-helixtrans-64-46.6175.5-69.7171.1000110.6F266 S267 S273 I274F266-I270 HydrophobicContact CD1-CD1 3.96Å; F266-I270 HydrophobicContact CE1-CD1 3.52Å; F266-I270 HydrophobicContact CZ-CD1 3.85Å; F266-I270 PolarHBondContact O-N 3.34Å; S267-I270 PolarHBondContact O-N 2.93Å; I270-S273 PolarHBondContact O-N 2.95Å; I270-I274 HydrophobicContact CG2-CD1 3.76Å; I270-I274 HydrophobicContact CG2-CG1 4.49Å; I270-I274 WeakPolarHBondContact O-CG1 3.27Å; I270-I274 PolarHBondContact O-N 3.06Å
271V93.3Very high90.3Very high71 Ų7164.5 Ų64.543%0.4335%0.346SS..Hα-helixtrans-62.2-44.7177.8172.40000111.1S267 G268 S273 I274 L275S267-V271 WeakPolarHBondContact O-CG2 3.32Å; S267-V271 PolarHBondContact O-N 2.96Å; G268-V271 PolarHBondContact O-N 3.01Å; V271-S273 VanDerWaalsContact C-N 3.34Å; V271-S273 PolarHBondContact O-N 2.74Å; V271-I274 PolarHBondContact O-N 3.29Å; V271-L275 HydrophobicContact CG1-CD1 3.72Å; V271-L275 HydrophobicContact CG1-CG 4.26Å; V271-L275 WeakPolarHBondContact O-CB 3.35Å; V271-L275 VanDerWaalsContact O-CG 3.29Å; V271-L275 WeakPolarHBondContact O-CG 3.02Å; V271-L275 PolarHBondContact O-N 2.99Å
272F93.9Very high90.5Very high53 Ų5366.1 Ų66.123%0.23235%0.347CS..Hα-helixtrans-57.8-45174173.8-111.5000112.2G268 Y269 L275 T276 A988 C991G268-F272 WeakPolarHBondContact O-CB 3.43Å; G268-F272 PolarHBondContact O-N 3.46Å; Y269-F272 PolarHBondContact O-N 3.39Å; F272-L275 PolarHBondContact O-N 3.27Å; F272-T276 HydrophobicContact CD2-CG2 3.84Å; F272-T276 HydrophobicContact CE1-CG2 4.3Å; F272-T276 HydrophobicContact CE2-CG2 3.31Å; F272-T276 HydrophobicContact CZ-CG2 3.6Å; F272-T276 WeakPolarHBondContact O-CB 3.44Å; F272-T276 WeakPolarHBondContact O-CG2 3.24Å; F272-T276 PolarHBondContact O-N 3.17Å; F272-T276 PolarHBondContact O-OG1 3.34Å; F272-A988 HydrophobicContact CD2-CB 4.2Å; F272-A988 HydrophobicContact CE2-CB 3.49Å; F272-A988 VanDerWaalsContact CE2-CB 3.49Å; F272-A988 HydrophobicContact CZ-CB 3.86Å; F272-C991 HydrophobicContact CB-CB 3.79Å
273S93Very high90.4Very high29 Ų2965.5 Ų65.520%0.20334%0.343CS..Hα-helixtrans-62.3-44.7178.3-58.30000111.6Y269 I270 V271 T276 I277Y269-S273 WeakPolarHBondContact O-CB 3.21Å; Y269-S273 PolarHBondContact O-N 3.49Å; Y269-S273 PolarHBondContact O-OG 2.91Å; I270-S273 PolarHBondContact O-N 2.95Å; V271-S273 VanDerWaalsContact C-N 3.34Å; V271-S273 PolarHBondContact O-N 2.74Å; S273-T276 PolarHBondContact O-OG1 2.97Å; S273-I277 WeakPolarHBondContact O-CB 3.42Å; S273-I277 WeakPolarHBondContact O-CD1 3.48Å; S273-I277 WeakPolarHBondContact O-CG1 3.49Å; S273-I277 PolarHBondContact O-N 2.85Å
274I93.8Very high90.1Very high111 Ų11168.7 Ų68.757%0.56936%0.358SS*.Hα-helixtrans-64.5-44.6177.1-67.8167.2000111I270 V271 G278I270-I274 HydrophobicContact CG2-CD1 3.76Å; I270-I274 HydrophobicContact CG2-CG1 4.49Å; I270-I274 WeakPolarHBondContact O-CG1 3.27Å; I270-I274 PolarHBondContact O-N 3.06Å; V271-I274 PolarHBondContact O-N 3.29Å; I274-G278 PolarHBondContact O-N 3.41Å
275L91.4Very high89.7Confident77 Ų7766.7 Ų66.740%0.40336%0.358SS..Hα-helixtrans-68.2-37.8-179.4-70.1174.4000112.5V271 F272 F279 L987V271-L275 HydrophobicContact CG1-CD1 3.72Å; V271-L275 HydrophobicContact CG1-CG 4.26Å; V271-L275 WeakPolarHBondContact O-CB 3.35Å; V271-L275 VanDerWaalsContact O-CG 3.29Å; V271-L275 WeakPolarHBondContact O-CG 3.02Å; V271-L275 PolarHBondContact O-N 2.99Å; F272-L275 PolarHBondContact O-N 3.27Å; L275-F279 VanDerWaalsContact O-CB 3.26Å; L275-F279 WeakPolarHBondContact O-CB 3.42Å; L275-F279 PolarHBondContact O-N 3.39Å; L275-L987 HydrophobicContact CB-CD1 4.48Å; L275-L987 HydrophobicContact CD1-CD2 4.23Å
276T89.8Confident89.2Confident33 Ų3367.9 Ų67.920%0.20236%0.36CS..Hα-helixtrans-74.5-35.6176.448.90000113F272 S273 G280 I984F272-T276 HydrophobicContact CD2-CG2 3.84Å; F272-T276 HydrophobicContact CE1-CG2 4.3Å; F272-T276 HydrophobicContact CE2-CG2 3.31Å; F272-T276 HydrophobicContact CZ-CG2 3.6Å; F272-T276 WeakPolarHBondContact O-CB 3.44Å; F272-T276 WeakPolarHBondContact O-CG2 3.24Å; F272-T276 PolarHBondContact O-N 3.17Å; F272-T276 PolarHBondContact O-OG1 3.34Å; S273-T276 PolarHBondContact O-OG1 2.97Å; T276-G280 WeakPolarHBondContact O-CA 3.31Å; T276-G280 PolarHBondContact O-N 3.37Å; T276-I984 HydrophobicContact CG2-CG2 4.45Å
277I91.6Very high88.4Confident114 Ų11470.6 Ų70.659%0.58538%0.377SS*.Hα-helixtrans-66.7-41.3170.7-68.6166.4000110.5S273 G280 T281S273-I277 WeakPolarHBondContact O-CB 3.42Å; S273-I277 WeakPolarHBondContact O-CD1 3.48Å; S273-I277 WeakPolarHBondContact O-CG1 3.49Å; S273-I277 PolarHBondContact O-N 2.85Å; I277-G280 PolarHBondContact O-N 3.25Å; I277-T281 HydrophobicContact CG2-CG2 4.49Å; I277-T281 WeakPolarHBondContact O-CB 3.41Å; I277-T281 WeakPolarHBondContact O-CG2 3.19Å; I277-T281 PolarHBondContact O-N 3.48Å; I277-T281 PolarHBondContact O-OG1 3.19Å
278G90.2Very high87.6Confident37 Ų3771.7 Ų71.738%0.38138%0.381SS..Hα-helixtrans-63.6-42.6174.400000113.3I274 T281 Y282I274-G278 PolarHBondContact O-N 3.41Å; G278-T281 WeakPolarHBondContact CA-OG1 3.18Å; G278-T281 PolarHBondContact O-OG1 3.11Å; G278-T281 VanDerWaalsContact O-OG1 3.06Å; G278-Y282 WeakPolarHBondContact O-CB 3.47Å; G278-Y282 PolarHBondContact O-N 2.89Å
279F89.2Confident86.5Confident29 Ų2979.5 Ų79.513%0.12741%0.409CS..Hα-helixtrans-71.3-40.2175.8-175.9-112.9000112.2L275 Y282 Q283 P980 I983 I984L275-F279 VanDerWaalsContact O-CB 3.26Å; L275-F279 WeakPolarHBondContact O-CB 3.42Å; L275-F279 PolarHBondContact O-N 3.39Å; F279-Y282 HydrophobicContact CD2-CD1 4.43Å; F279-Y282 WeakPolarHBondContact O-CB 3.23Å; F279-Y282 PolarHBondContact O-N 2.95Å; F279-Q283 HydrophobicContact CD1-CG 4.36Å; F279-Q283 HydrophobicContact CE1-CG 4.14Å; F279-Q283 HydrophobicContact CE2-CG 4.34Å; F279-Q283 VanDerWaalsContact CE2-NE2 3.32Å; F279-Q283 HydrophobicContact CZ-CG 4.15Å; F279-Q283 VanDerWaalsContact O-CG 3.29Å; F279-Q283 WeakPolarHBondContact O-CG 3.3Å; F279-Q283 PolarHBondContact O-N 3.35Å; F279-P980 HydrophobicContact CE1-CB 4.07Å; F279-P980 HydrophobicContact CZ-CB 4.31Å; F279-I983 HydrophobicContact CD1-CG2 4.14Å; F279-I983 HydrophobicContact CD2-CG2 4.09Å; F279-I983 HydrophobicContact CE1-CB 3.91Å; F279-I983 HydrophobicContact CE1-CG2 3.71Å; F279-I983 HydrophobicContact CE2-CB 4.25Å; F279-I983 HydrophobicContact CE2-CD1 3.86Å; F279-I983 HydrophobicContact CE2-CG2 3.67Å; F279-I983 HydrophobicContact CG-CG2 4.3Å; F279-I983 HydrophobicContact CZ-CB 3.58Å; F279-I983 HydrophobicContact CZ-CD1 3.61Å; F279-I983 HydrophobicContact CZ-CG1 4.18Å; F279-I983 HydrophobicContact CZ-CG2 3.42Å; F279-I983 VanDerWaalsContact CZ-CG2 3.42Å; F279-I984 HydrophobicContact CD1-CD1 4.41Å; F279-I984 HydrophobicContact CD1-CG1 3.93Å; F279-I984 HydrophobicContact CE1-CD1 4.39Å; F279-I984 HydrophobicContact CE1-CG1 3.99Å
280G87Confident85.1Confident28 Ų2874.1 Ų74.129%0.28940%0.4SS..Hα-helixtrans-62.7-47.6175.600000111.8T276 I277 Y282 Q283 I284T276-G280 WeakPolarHBondContact O-CA 3.31Å; T276-G280 PolarHBondContact O-N 3.37Å; I277-G280 PolarHBondContact O-N 3.25Å; G280-Y282 PolarHBondContact O-N 3.4Å; G280-Q283 PolarHBondContact O-N 2.87Å; G280-I284 WeakPolarHBondContact O-CB 3.46Å; G280-I284 VanDerWaalsContact O-CG1 3.24Å; G280-I284 WeakPolarHBondContact O-CG1 3.3Å; G280-I284 PolarHBondContact O-N 2.93Å
281T87.1Confident83Confident75 Ų7579.1 Ų79.146%0.4642%0.416SS..Hα-helixtrans-62.4-40172.549.70000111.7I277 G278 Q283 I284 T285I277-T281 HydrophobicContact CG2-CG2 4.49Å; I277-T281 WeakPolarHBondContact O-CB 3.41Å; I277-T281 WeakPolarHBondContact O-CG2 3.19Å; I277-T281 PolarHBondContact O-N 3.48Å; I277-T281 PolarHBondContact O-OG1 3.19Å; G278-T281 WeakPolarHBondContact CA-OG1 3.18Å; G278-T281 PolarHBondContact O-OG1 3.11Å; G278-T281 VanDerWaalsContact O-OG1 3.06Å; T281-Q283 PolarHBondContact O-N 3.08Å; T281-I284 PolarHBondContact O-N 3.31Å; T281-T285 VanDerWaalsContact O-CB 3.25Å; T281-T285 WeakPolarHBondContact O-CB 3.22Å; T281-T285 PolarHBondContact O-N 3.22Å; T281-T285 PolarHBondContact O-OG1 3.46Å
282Y87.2Confident80.8Confident114 Ų11480.2 Ų80.245%0.44742%0.419SS..Hα-helixtrans-59.4-44.3172.4169.4-100.3000113.2G278 F279 G280 T285 K286 Y1406G278-Y282 WeakPolarHBondContact O-CB 3.47Å; G278-Y282 PolarHBondContact O-N 2.89Å; F279-Y282 HydrophobicContact CD2-CD1 4.43Å; F279-Y282 WeakPolarHBondContact O-CB 3.23Å; F279-Y282 PolarHBondContact O-N 2.95Å; G280-Y282 PolarHBondContact O-N 3.4Å; Y282-T285 PolarHBondContact O-N 3.02Å; Y282-K286 WeakPolarHBondContact O-CB 3.46Å; Y282-K286 PolarHBondContact O-N 3.45Å; Y282-Y1406 HydrophobicContact CE1-CD1 4.24Å; Y282-Y1406 HydrophobicContact CE1-CE1 4.21Å
283Q84.2Confident78.5Confident28 Ų2880.2 Ų80.213%0.13143%0.426CS..Hα-helixtrans-70.2-39.6178.1-62.4-76.312.700111.7F279 G280 T281 K286 L287 Y1406F279-Q283 HydrophobicContact CD1-CG 4.36Å; F279-Q283 HydrophobicContact CE1-CG 4.14Å; F279-Q283 HydrophobicContact CE2-CG 4.34Å; F279-Q283 VanDerWaalsContact CE2-NE2 3.32Å; F279-Q283 HydrophobicContact CZ-CG 4.15Å; F279-Q283 VanDerWaalsContact O-CG 3.29Å; F279-Q283 WeakPolarHBondContact O-CG 3.3Å; F279-Q283 PolarHBondContact O-N 3.35Å; G280-Q283 PolarHBondContact O-N 2.87Å; T281-Q283 PolarHBondContact O-N 3.08Å; Q283-K286 PolarHBondContact O-N 3.49Å; Q283-L287 WeakPolarHBondContact O-CB 3.21Å; Q283-L287 VanDerWaalsContact O-CG 3.3Å; Q283-L287 WeakPolarHBondContact O-CG 3.03Å; Q283-L287 PolarHBondContact O-N 2.99Å; Q283-Y1406 PolarHBondContact NE2-OH 3.44Å
284I83.2Confident76.1Confident103 Ų10382.4 Ų82.453%0.52845%0.446SS..Hα-helixtrans-63.7-44.8173.6-68.5164.8000110.1G280 T281 K286 L287 V288G280-I284 WeakPolarHBondContact O-CB 3.46Å; G280-I284 VanDerWaalsContact O-CG1 3.24Å; G280-I284 WeakPolarHBondContact O-CG1 3.3Å; G280-I284 PolarHBondContact O-N 2.93Å; T281-I284 PolarHBondContact O-N 3.31Å; I284-K286 VanDerWaalsContact C-N 3.34Å; I284-K286 PolarHBondContact O-N 3.43Å; I284-L287 PolarHBondContact O-N 2.71Å; I284-V288 HydrophobicContact CG2-CG2 4.03Å; I284-V288 VanDerWaalsContact O-CB 3.31Å; I284-V288 WeakPolarHBondContact O-CB 3.46Å; I284-V288 VanDerWaalsContact O-CG2 3.28Å; I284-V288 WeakPolarHBondContact O-CG2 3.49Å; I284-V288 PolarHBondContact O-N 2.88Å
285T81.2Confident73.6Confident72 Ų7281.2 Ų81.244%0.44245%0.447SS..Hα-helixtrans-58.7-45.5172.7-64.50000110.4T281 Y282 L287 V288 Y289T281-T285 VanDerWaalsContact O-CB 3.25Å; T281-T285 WeakPolarHBondContact O-CB 3.22Å; T281-T285 PolarHBondContact O-N 3.22Å; T281-T285 PolarHBondContact O-OG1 3.46Å; Y282-T285 PolarHBondContact O-N 3.02Å; T285-L287 VanDerWaalsContact C-N 3.34Å; T285-L287 PolarHBondContact O-N 3.04Å; T285-V288 PolarHBondContact O-N 2.97Å; T285-Y289 HydrophobicContact CG2-CD2 3.6Å; T285-Y289 HydrophobicContact CG2-CE2 3.83Å; T285-Y289 VanDerWaalsContact O-CB 3.28Å; T285-Y289 WeakPolarHBondContact O-CB 3.37Å; T285-Y289 WeakPolarHBondContact O-CD2 3.46Å; T285-Y289 PolarHBondContact O-N 3.4Å
286K78.1Confident70.9Confident104 Ų10484.8 Ų84.845%0.45247%0.465SS..Hα-helixtrans-63.9-37.1177-172.1-175.8175.1-168.70112.7Y282 Q283 I284 G290Y282-K286 WeakPolarHBondContact O-CB 3.46Å; Y282-K286 PolarHBondContact O-N 3.45Å; Q283-K286 PolarHBondContact O-N 3.49Å; I284-K286 VanDerWaalsContact C-N 3.34Å; I284-K286 PolarHBondContact O-N 3.43Å; K286-G290 WeakPolarHBondContact O-CA 3.27Å; K286-G290 PolarHBondContact O-N 2.99Å
287L75.6Confident68.2Low123 Ų12386.6 Ų86.664%0.64448%0.479SS*.Hα-helixtrans-72.1-45.4176-76.1165.6000111.8Q283 I284 T285 G290 Y291Q283-L287 WeakPolarHBondContact O-CB 3.21Å; Q283-L287 VanDerWaalsContact O-CG 3.3Å; Q283-L287 WeakPolarHBondContact O-CG 3.03Å; Q283-L287 PolarHBondContact O-N 2.99Å; I284-L287 PolarHBondContact O-N 2.71Å; T285-L287 VanDerWaalsContact C-N 3.34Å; T285-L287 PolarHBondContact O-N 3.04Å; L287-G290 CarbonylContact O-C 3.59Å; L287-G290 PolarHBondContact O-N 3Å; L287-Y291 WeakPolarHBondContact O-CB 3.24Å; L287-Y291 PolarHBondContact O-N 3.24Å
288V74.9Confident65.4Low68 Ų6885.7 Ų85.741%0.41248%0.483SS..Hα-helixtrans-72-43.3-178.8171.90000111.6I284 T285 G290 Y291 N292I284-V288 HydrophobicContact CG2-CG2 4.03Å; I284-V288 VanDerWaalsContact O-CB 3.31Å; I284-V288 WeakPolarHBondContact O-CB 3.46Å; I284-V288 VanDerWaalsContact O-CG2 3.28Å; I284-V288 WeakPolarHBondContact O-CG2 3.49Å; I284-V288 PolarHBondContact O-N 2.88Å; T285-V288 PolarHBondContact O-N 2.97Å; V288-G290 VanDerWaalsContact C-N 3.31Å; V288-Y291 PolarHBondContact O-N 3.46Å; V288-N292 VanDerWaalsContact O-CB 3.28Å; V288-N292 WeakPolarHBondContact O-CB 3.44Å; V288-N292 VanDerWaalsContact O-CG 3.27Å; V288-N292 PolarHBondContact O-N 2.81Å
289Y68.2Low62.4Low173 Ų17389.2 Ų89.268%0.67850%0.5SS*.Hα-helixtrans-68.5-32.3169.6-80.9-100.4000111.2T285 S293T285-Y289 HydrophobicContact CG2-CD2 3.6Å; T285-Y289 HydrophobicContact CG2-CE2 3.83Å; T285-Y289 VanDerWaalsContact O-CB 3.28Å; T285-Y289 WeakPolarHBondContact O-CB 3.37Å; T285-Y289 WeakPolarHBondContact O-CD2 3.46Å; T285-Y289 PolarHBondContact O-N 3.4Å; Y289-S293 WeakPolarHBondContact O-CA 3.5Å; Y289-S293 WeakPolarHBondContact O-CB 3.09Å; Y289-S293 PolarHBondContact O-N 2.83Å
290G61.2Low59.8Low40 Ų4093.9 Ų93.941%0.41254%0.535SS..Hα-helixtrans-63.2-40.417100000112.9K286 L287 V288 A294K286-G290 WeakPolarHBondContact O-CA 3.27Å; K286-G290 PolarHBondContact O-N 2.99Å; L287-G290 CarbonylContact O-C 3.59Å; L287-G290 PolarHBondContact O-N 3Å; V288-G290 VanDerWaalsContact C-N 3.31Å; G290-A294 WeakPolarHBondContact O-CB 3.34Å; G290-A294 PolarHBondContact O-N 2.87Å
291Y49.4Very low57.2Low180 Ų18096.5 Ų96.571%0.70656%0.555SS**Hα-helixtrans-77.9-38-178.5-166.7-94.1000112.6L287 V288 A294L287-Y291 WeakPolarHBondContact O-CB 3.24Å; L287-Y291 PolarHBondContact O-N 3.24Å; V288-Y291 PolarHBondContact O-N 3.46Å; Y291-A294 WeakPolarHBondContact O-CB 3.38Å; Y291-A294 PolarHBondContact O-N 3.23Å
292N45.9Very low54.4Low94 Ų9497.4 Ų97.450%0.50356%0.561SS.*Hα-helixtrans-77.3-27.4173.6-66.3-8.1000111.8V288 S295 I296V288-N292 VanDerWaalsContact O-CB 3.28Å; V288-N292 WeakPolarHBondContact O-CB 3.44Å; V288-N292 VanDerWaalsContact O-CG 3.27Å; V288-N292 PolarHBondContact O-N 2.81Å; N292-S295 PolarHBondContact O-OG 3.25Å; N292-I296 PolarHBondContact O-N 2.97Å
293S47.2Very low51.8Low52 Ų52101.9 Ų101.936%0.36459%0.587SS.*Hα-helixtrans-66.6-38.8163.2-166.20000110Y289 S295 I296 S297Y289-S293 WeakPolarHBondContact O-CA 3.5Å; Y289-S293 WeakPolarHBondContact O-CB 3.09Å; Y289-S293 PolarHBondContact O-N 2.83Å; S293-S295 PolarHBondContact O-N 3.49Å; S293-I296 CarbonylContact O-C 3.58Å; S293-I296 VanDerWaalsContact O-C 3.3Å; S293-I296 PolarHBondContact O-N 3.08Å; S293-S297 WeakPolarHBondContact O-CA 3.45Å; S293-S297 VanDerWaalsContact O-CB 3.27Å; S293-S297 WeakPolarHBondContact O-CB 3.25Å; S293-S297 PolarHBondContact O-N 3.28Å; S293-S297 PolarHBondContact O-OG 2.97Å; S293-S297 WeakPolarHBondContact OG-CB 3.34Å; S293-S297 PolarHBondContact OG-OG 3.05Å
294A42.4Very low49.4Very low76 Ų76104.4 Ų104.463%0.62861%0.607SS**Hα-helixtrans-60.6-15.9178.700000114.6G290 Y291G290-A294 WeakPolarHBondContact O-CB 3.34Å; G290-A294 PolarHBondContact O-N 2.87Å; Y291-A294 WeakPolarHBondContact O-CB 3.38Å; Y291-A294 PolarHBondContact O-N 3.23Å
295S40Very low47.1Very low86 Ų86104.1 Ų104.160%0.60161%0.607SS**Hα-helixtrans-104.6-16169.564.90000115.5N292 S293N292-S295 PolarHBondContact O-OG 3.25Å; S293-S295 PolarHBondContact O-N 3.49Å
296I35.7Very low45Very low152 Ų152111.9 Ų111.978%0.77963%0.628SS**Hα-helixtrans-131.841176-42.9-175.5000111.7N292 S293N292-I296 PolarHBondContact O-N 2.97Å; S293-I296 CarbonylContact O-C 3.58Å; S293-I296 VanDerWaalsContact O-C 3.3Å; S293-I296 PolarHBondContact O-N 3.08Å
297S32.8Very low43.3Very low70 Ų70115.2 Ų115.249%0.4965%0.645SS.*  trans-147.835.9167.783.50000112.6S293S293-S297 WeakPolarHBondContact O-CA 3.45Å; S293-S297 VanDerWaalsContact O-CB 3.27Å; S293-S297 WeakPolarHBondContact O-CB 3.25Å; S293-S297 PolarHBondContact O-N 3.28Å; S293-S297 PolarHBondContact O-OG 2.97Å; S293-S297 WeakPolarHBondContact OG-CB 3.34Å; S293-S297 PolarHBondContact OG-OG 3.05Å
298S33.4Very low41.5Very low96 Ų96116.5 Ų116.567%0.67165%0.648SS**SBendtrans-94.26.3163.754.80000112.9
299C27.3Very low39.7Very low110 Ų110118.5 Ų118.574%0.74366%0.655SS**  trans-122.545.6-173.8-61.20000113.7
300C34.5Very low38.4Very low127 Ų127116.7 Ų116.786%0.85866%0.656SS**SBendtrans-165.967165-91.60000106.9
301A31Very low37.4Very low84 Ų84122 Ų12269%0.69467%0.67SS**  cis68.1152.546.600000113.4
302P28.8Very low36.9Very low93 Ų93121.1 Ų121.160%0.60467%0.672SS**  -125.6-174.5-56.636.2-23.2000112.2S304P302-S304 PolarHBondContact O-N 3.29Å
303E33.3Very low36.5Very low209 Ų209125 Ų12598%0.97769%0.687SS**THydrogen-bonded Turntrans-76.924.5-167-154164.5176.700115.6
304S33.8Very low36.1Very low81 Ų81131.2 Ų131.257%0.56671%0.71SS**THydrogen-bonded Turntrans-112.3-29.7-169.5530000116.5P302 R306P302-S304 PolarHBondContact O-N 3.29Å; S304-R306 PolarHBondContact O-N 2.48Å
305D34.7Very low35.7Very low97 Ų97136 Ų13652%0.51972%0.72SS.*THydrogen-bonded Turntrans-9415.9-155.3-65.5-0.1000115.1E307D305-E307 VanDerWaalsContact C-N 3.29Å; D305-E307 PolarHBondContact O-N 2.96Å
306R36.6Very low35.4Very low235 Ų235141.2 Ų141.289%0.88773%0.734SS**THydrogen-bonded Turntrans-73-16-170.9-152.3175.1-172.3-175.52.3114.7S304S304-R306 PolarHBondContact O-N 2.48Å
307E41.5Very low35.2Very low173 Ų173142.1 Ų142.181%0.80874%0.735SS**THydrogen-bonded Turntrans-95.7-28.4178.2-62.5-166.2129.800113.5D305D305-E307 VanDerWaalsContact C-N 3.29Å; D305-E307 PolarHBondContact O-N 2.96Å
308H38.4Very low35.1Very low151 Ų151145.3 Ų145.370%0.69975%0.752SS**G310 helixtrans-86-26-170.9-115.6-51.3000115.1I310 H311H308-I310 PolarHBondContact O-N 3.09Å; H308-H311 PolarHBondContact O-N 3.49Å
309L36.6Very low34.9Very low109 Ų109152.2 Ų152.257%0.57176%0.763SS**G310 helixtrans-67.8-14.9-179.4-92.6161.1000114.4H311L309-H311 PolarHBondContact O-N 3.38Å
310I41.9Very low35Very low136 Ų136151 Ų15170%0.69776%0.756SS**G310 helixtrans-68.1-20.9171.3-67.4174.4000111.5H308H308-I310 PolarHBondContact O-N 3.09Å
311H41.2Very low34.8Very low150 Ų150153.1 Ų153.169%0.69475%0.754SS**G310 helixtrans-96.4-3.7-172.7-105.4-71.1000116.5H308 L309H308-H311 PolarHBondContact O-N 3.49Å; L309-H311 PolarHBondContact O-N 3.38Å
312Q37.2Very low34.7Very low163 Ų163153.9 Ų153.976%0.76275%0.753SS**THydrogen-bonded Turntrans-119-13.4-176.4-76-170.5-17.900116.3Q314Q312-Q314 PolarHBondContact O-N 2.82Å; Q312-Q314 VanDerWaalsContact O-N 3.11Å
313Q37.2Very low34.7Very low175 Ų175158.4 Ų158.482%0.81877%0.767SS**THydrogen-bonded Turntrans-79.716.9-179.4-70.2-164.7-24.100115.3
314Q40.4Very low34.6Very low182 Ų182153.4 Ų153.485%0.8575%0.752SS**THydrogen-bonded Turntrans-101.4-3.7-177.9-75.8-169.3-17.300115.9Q312Q312-Q314 PolarHBondContact O-N 2.82Å; Q312-Q314 VanDerWaalsContact O-N 3.11Å
315Q33.4Very low34.8Very low176 Ų176157.4 Ų157.482%0.82276%0.762SS**SBendtrans-130.9-0.9-161.8-108.5-179.70.200120.5
316H34.5Very low35Very low197 Ų197156.2 Ų156.291%0.91277%0.773SS**  trans-111.897174.8-100.4-67.8000114.7
317Q30.2Very low35.3Very low170 Ų170155.2 Ų155.279%0.79477%0.769SS**  trans-86.2168.5163.8-70.1178.3-44.200111.8
318T30.5Very low35.7Very low138 Ų138152.8 Ų152.885%0.84776%0.76SS**  trans67.1118.1164.6630000119.1
319R30.6Very low36.8Very low241 Ų241148.9 Ų148.991%0.90975%0.749SS**  145.4155.8120.7-155.3160.7-169159.42.3111
320S28.5Very low38.2Very low85 Ų85149 Ų14959%0.59475%0.75SS**  trans-48.9159-17241.90000116.3
321E30.7Very low39.4Very low171 Ų171146.1 Ų146.180%0.79974%0.735SS**  cis-156.9154.228.9-138.7129.2-116.600114.8
322S29Very low40.7Very low99 Ų99140.4 Ų140.469%0.69271%0.714SS**  trans43.897.2157.760.70000123.3
323Q29.2Very low42.4Very low189 Ų189140.8 Ų140.888%0.88371%0.709SS**  trans63.7153.4131.7-69.1-173.53.600121.9
324P31.6Very low44.2Very low103 Ų103136.3 Ų136.367%0.66969%0.69SS**  cis-133.932.8-138.8-18.8000116.1G326P324-G326 PolarHBondContact O-N 3.27Å
325E36.6Very low45.8Very low165 Ų165128.7 Ų128.777%0.77166%0.656SS**G310 helixtrans-69.2-22.9-164.6-60.4-159.9120.900117.5R327 I328E325-R327 VanDerWaalsContact C-N 3.25Å; E325-R327 PolarHBondContact O-N 3.39Å; E325-I328 PolarHBondContact O-N 3.41Å
326G38.5Very low47.8Very low73 Ų73121 Ų12175%0.75362%0.622SS**G310 helixtrans-61.5-18.4-167.800000117.2P324P324-G326 PolarHBondContact O-N 3.27Å
327R43.1Very low50Low214 Ų214119.1 Ų119.181%0.80861%0.608SS**G310 helixtrans-76-24.3-179.3-69.4-174.5177.7-175.5-0.1113.9E325 C329E325-R327 VanDerWaalsContact C-N 3.25Å; E325-R327 PolarHBondContact O-N 3.39Å; R327-C329 PolarHBondContact O-N 3.09Å
328I51.4Low52.6Low121 Ų121113.4 Ų113.462%0.62158%0.581SS**Hα-helixtrans-71-33.7-169.2-62.9166.5000111.7E325 A332E325-I328 PolarHBondContact O-N 3.41Å; I328-A332 PolarHBondContact O-N 3.44Å
329C59.7Low55.1Low69 Ų69108.4 Ų108.447%0.46655%0.549SS..Hα-helixtrans-70.5-33-177.6-171.50000113.5R327 R333R327-C329 PolarHBondContact O-N 3.09Å; C329-R333 WeakPolarHBondContact O-CG 3.26Å; C329-R333 PolarHBondContact O-N 3.38Å
330L66.6Low57.7Low113 Ų113100.9 Ų100.959%0.59252%0.524SS*.Hα-helixtrans-70-43.9-178.5-175.8147.1000111.7R333 L334L330-R333 PolarHBondContact O-N 2.95Å; L330-L334 HydrophobicContact CD2-CD1 3.63Å; L330-L334 HydrophobicContact CD2-CG 4.19Å; L330-L334 WeakPolarHBondContact O-CG 3.42Å; L330-L334 PolarHBondContact O-N 3.42Å
331L66.9Low60.6Low74 Ų74100.2 Ų100.239%0.38751%0.512SS..Hα-helixtrans-59.7-50.7176-70.6162.2000110.9R333 L334 T335 F1275L331-R333 PolarHBondContact O-N 3.48Å; L331-L334 WeakPolarHBondContact O-CB 3.36Å; L331-L334 PolarHBondContact O-N 3.11Å; L331-T335 PolarHBondContact O-N 2.87Å; L331-T335 PolarHBondContact O-OG1 3.43Å; L331-F1275 HydrophobicContact CD2-CB 3.73Å
332A68.3Low63.4Low30 Ų3093 Ų9325%0.24848%0.479CS..Hα-helixtrans-57.2-34.7178.900000113.7I328 A336 N1412I328-A332 PolarHBondContact O-N 3.44Å; A332-A336 PolarHBondContact O-N 2.69Å; A332-N1412 PolarHBondContact O-ND2 3.38Å
333R73.7Confident66.2Low171 Ų17190.5 Ų90.565%0.64546%0.46SS*.Hα-helixtrans-72.1-40.5173.6-73.1176.7-178.5-160.7-1112.7C329 L330 L331 A336 Y337C329-R333 WeakPolarHBondContact O-CG 3.26Å; C329-R333 PolarHBondContact O-N 3.38Å; L330-R333 PolarHBondContact O-N 2.95Å; L331-R333 PolarHBondContact O-N 3.48Å; R333-A336 PolarHBondContact O-N 3.35Å; R333-Y337 WeakPolarHBondContact O-CB 3.47Å; R333-Y337 PolarHBondContact O-N 3.14Å
334L74.2Confident69.2Low82 Ų8287.6 Ų87.643%0.42944%0.444SS..Hα-helixtrans-61.3-43.6173.3-72.5176.1000111.2L330 L331 A336 Y337 F338L330-L334 HydrophobicContact CD2-CD1 3.63Å; L330-L334 HydrophobicContact CD2-CG 4.19Å; L330-L334 WeakPolarHBondContact O-CG 3.42Å; L330-L334 PolarHBondContact O-N 3.42Å; L331-L334 WeakPolarHBondContact O-CB 3.36Å; L331-L334 PolarHBondContact O-N 3.11Å; L334-A336 PolarHBondContact O-N 3.24Å; L334-Y337 PolarHBondContact O-N 3.29Å; L334-F338 VanDerWaalsContact O-CB 3.25Å; L334-F338 WeakPolarHBondContact O-CB 3.24Å; L334-F338 PolarHBondContact O-N 3.09Å
335T73.9Confident72.1Confident21 Ų2188.4 Ų88.413%0.12944%0.441CS..Hα-helixtrans-57.9-48175.1-42.70000112L331 F338 N339 F1273 G1274 M1415L331-T335 PolarHBondContact O-N 2.87Å; L331-T335 PolarHBondContact O-OG1 3.43Å; T335-F338 PolarHBondContact O-N 3.29Å; T335-N339 WeakPolarHBondContact O-CB 3.19Å; T335-N339 PolarHBondContact O-N 2.95Å; T335-F1273 WeakPolarHBondContact CG2-O 3.37Å; T335-G1274 PolarHBondContact OG1-O 2.87Å; T335-G1274 VanDerWaalsContact OG1-O 3.08Å; T335-M1415 HydrophobicContact CG2-SD 4.38Å
336A75.6Confident74.9Confident14 Ų1481.4 Ų81.412%0.11641%0.408CS..Hα-helixtrans-62.8-49.7179.700000111.5A332 R333 L334 F338 N339 E340 A1414 M1415A332-A336 PolarHBondContact O-N 2.69Å; R333-A336 PolarHBondContact O-N 3.35Å; L334-A336 PolarHBondContact O-N 3.24Å; A336-F338 PolarHBondContact O-N 3.38Å; A336-N339 PolarHBondContact O-N 2.84Å; A336-E340 WeakPolarHBondContact O-CB 3.23Å; A336-E340 PolarHBondContact O-N 3.05Å; A336-A1414 HydrophobicContact CB-CB 3.95Å; A336-M1415 HydrophobicContact CB-CG 3.83Å
337Y81.9Confident77.4Confident158 Ų15878.9 Ų78.962%0.6238%0.38SS*.Hα-helixtrans-59.4-44.7177.6175.5-95.8000112.4R333 L334 E340 M341R333-Y337 WeakPolarHBondContact O-CB 3.47Å; R333-Y337 PolarHBondContact O-N 3.14Å; L334-Y337 PolarHBondContact O-N 3.29Å; Y337-E340 PolarHBondContact O-N 3.31Å; Y337-M341 VanDerWaalsContact O-CB 3.29Å; Y337-M341 WeakPolarHBondContact O-CB 3.2Å; Y337-M341 PolarHBondContact O-N 3.15Å
338F83.7Confident79.9Confident51 Ų5174.1 Ų74.122%0.22437%0.369CS..Hα-helixtrans-67-42.9-178.2-171.3-102.1000112.1L334 T335 A336 M341 L342 I1271L334-F338 VanDerWaalsContact O-CB 3.25Å; L334-F338 WeakPolarHBondContact O-CB 3.24Å; L334-F338 PolarHBondContact O-N 3.09Å; T335-F338 PolarHBondContact O-N 3.29Å; A336-F338 PolarHBondContact O-N 3.38Å; F338-M341 HydrophobicContact CD2-CE 3.81Å; F338-M341 HydrophobicContact CE2-CE 3.73Å; F338-M341 PolarHBondContact O-N 3.19Å; F338-L342 HydrophobicContact CD1-CD1 3.97Å; F338-L342 HydrophobicContact CD1-CG 4.44Å; F338-L342 HydrophobicContact CE1-CD1 3.47Å; F338-L342 VanDerWaalsContact CE1-CD1 3.47Å; F338-L342 HydrophobicContact CE1-CG 4.11Å; F338-L342 HydrophobicContact CZ-CD1 4.02Å; F338-L342 HydrophobicContact CZ-CG 4.32Å; F338-L342 WeakPolarHBondContact O-CG 3.33Å; F338-L342 PolarHBondContact O-N 3.24Å; F338-I1271 HydrophobicContact CZ-CG2 4.34Å
339N83.5Confident81.9Confident33 Ų3370.2 Ų70.218%0.17635%0.349CS..Hα-helixtrans-67.9-37.1175.4-179.279.8000112.2T335 A336 T343 R1329T335-N339 WeakPolarHBondContact O-CB 3.19Å; T335-N339 PolarHBondContact O-N 2.95Å; A336-N339 PolarHBondContact O-N 2.84Å; N339-T343 VanDerWaalsContact O-CB 3.31Å; N339-T343 WeakPolarHBondContact O-CB 3.21Å; N339-T343 PolarHBondContact O-N 3.19Å; N339-T343 PolarHBondContact O-OG1 2.92Å; N339-R1329 PolarHBondContact OD1-NH2 3.4Å
340E85.8Confident83.4Confident82 Ų8266.9 Ų66.938%0.38333%0.326SS..Hα-helixtrans-64.6-42.8173.7-167.4-169145.400111.7A336 Y337 T343 K344A336-E340 WeakPolarHBondContact O-CB 3.23Å; A336-E340 PolarHBondContact O-N 3.05Å; Y337-E340 PolarHBondContact O-N 3.31Å; E340-T343 PolarHBondContact O-N 2.89Å; E340-K344 HydrophobicContact CG-CD 4.29Å; E340-K344 WeakPolarHBondContact O-CB 3.35Å; E340-K344 WeakPolarHBondContact O-CG 3.17Å; E340-K344 PolarHBondContact O-N 3.5Å; E340-K344 WeakPolarHBondContact OE1-CE 3.37Å; E340-K344 IonicContact OE1-NZ 3.88Å; E340-K344 PolarHBondContact OE1-NZ 3.07Å
341M88.6Confident84.7Confident71 Ų7167.6 Ų67.635%0.3532%0.321SS..Hα-helixtrans-59.5-51174.8-176.3-16475.900111.3Y337 F338 T343 K344 M345Y337-M341 VanDerWaalsContact O-CB 3.29Å; Y337-M341 WeakPolarHBondContact O-CB 3.2Å; Y337-M341 PolarHBondContact O-N 3.15Å; F338-M341 HydrophobicContact CD2-CE 3.81Å; F338-M341 HydrophobicContact CE2-CE 3.73Å; F338-M341 PolarHBondContact O-N 3.19Å; M341-T343 PolarHBondContact O-N 3.5Å; M341-K344 PolarHBondContact O-N 2.67Å; M341-M345 VanDerWaalsContact O-CG 3.29Å; M341-M345 WeakPolarHBondContact O-CG 3.3Å; M341-M345 PolarHBondContact O-N 3.4Å
342L89.1Confident85.9Confident20 Ų2069.3 Ų69.311%0.10533%0.33CS..Hα-helixtrans-60.6-44.2177.4-72.1-178.5000111.7F338 K344 M345 F346 P802 F1272F338-L342 HydrophobicContact CD1-CD1 3.97Å; F338-L342 HydrophobicContact CD1-CG 4.44Å; F338-L342 HydrophobicContact CE1-CD1 3.47Å; F338-L342 VanDerWaalsContact CE1-CD1 3.47Å; F338-L342 HydrophobicContact CE1-CG 4.11Å; F338-L342 HydrophobicContact CZ-CD1 4.02Å; F338-L342 HydrophobicContact CZ-CG 4.32Å; F338-L342 WeakPolarHBondContact O-CG 3.33Å; F338-L342 PolarHBondContact O-N 3.24Å; L342-K344 PolarHBondContact O-N 2.93Å; L342-M345 PolarHBondContact O-N 3.18Å; L342-F346 WeakPolarHBondContact O-CD2 3.4Å; L342-F346 PolarHBondContact O-N 2.94Å; L342-P802 HydrophobicContact CB-CB 4.08Å; L342-P802 HydrophobicContact CB-CG 3.96Å; L342-P802 HydrophobicContact CD1-CB 4.23Å; L342-F1272 HydrophobicContact CD1-CD1 4.03Å; L342-F1272 HydrophobicContact CD1-CE1 3.94Å
343T89Confident87.2Confident47 Ų4768 Ų6829%0.28832%0.319SS..Hα-helixtrans-57.9-46.6177.1-610000111.3N339 E340 M341 A347 G798N339-T343 VanDerWaalsContact O-CB 3.31Å; N339-T343 WeakPolarHBondContact O-CB 3.21Å; N339-T343 PolarHBondContact O-N 3.19Å; N339-T343 PolarHBondContact O-OG1 2.92Å; E340-T343 PolarHBondContact O-N 2.89Å; M341-T343 PolarHBondContact O-N 3.5Å; T343-A347 VanDerWaalsContact O-CB 3.31Å; T343-A347 WeakPolarHBondContact O-CB 3.49Å; T343-A347 PolarHBondContact O-N 2.84Å; T343-G798 WeakPolarHBondContact CA-O 3.46Å; T343-G798 WeakPolarHBondContact O-CA 3.43Å
344K91.8Very high88Confident127 Ų12759.9 Ų59.955%0.55229%0.288SS*.Hα-helixtrans-65.1-43178-77.7173.5169.6173.80112.8E340 M341 L342 L348E340-K344 HydrophobicContact CG-CD 4.29Å; E340-K344 WeakPolarHBondContact O-CB 3.35Å; E340-K344 WeakPolarHBondContact O-CG 3.17Å; E340-K344 PolarHBondContact O-N 3.5Å; E340-K344 WeakPolarHBondContact OE1-CE 3.37Å; E340-K344 IonicContact OE1-NZ 3.88Å; E340-K344 PolarHBondContact OE1-NZ 3.07Å; M341-K344 PolarHBondContact O-N 2.67Å; L342-K344 PolarHBondContact O-N 2.93Å; K344-L348 WeakPolarHBondContact O-CB 3.27Å; K344-L348 PolarHBondContact O-N 3.26Å
345M92.9Very high88.8Confident120 Ų12063.7 Ų63.759%0.59130%0.297SS*.Hα-helixtrans-62.7-46.7177.7-71.4-64.3-61.500111.7M341 L342 L348 H349M341-M345 VanDerWaalsContact O-CG 3.29Å; M341-M345 WeakPolarHBondContact O-CG 3.3Å; M341-M345 PolarHBondContact O-N 3.4Å; L342-M345 PolarHBondContact O-N 3.18Å; M345-L348 PolarHBondContact O-N 2.91Å; M345-H349 WeakPolarHBondContact O-CB 3.46Å; M345-H349 PolarHBondContact O-N 3.33Å
346F94.5Very high89.8Confident19 Ų1967.4 Ų67.48%0.08331%0.313CS..Hα-helixtrans-70.4-34.1179.5-85.2-68.4000113.4L342 H349 G350 M797 P802 L805 F841L342-F346 WeakPolarHBondContact O-CD2 3.4Å; L342-F346 PolarHBondContact O-N 2.94Å; F346-H349 PolarHBondContact O-N 2.91Å; F346-G350 PolarHBondContact O-N 3.45Å; F346-M797 HydrophobicContact CB-CG 4.22Å; F346-M797 WeakPolarHBondContact CB-O 3.4Å; F346-M797 HydrophobicContact CD1-CE 3.6Å; F346-M797 HydrophobicContact CD1-CG 4.25Å; F346-M797 HydrophobicContact CE1-CE 3.91Å; F346-M797 WeakPolarHBondContact O-CB 3.24Å; F346-M797 WeakPolarHBondContact O-CG 3.35Å; F346-P802 HydrophobicContact CD2-CG 3.87Å; F346-P802 HydrophobicContact CE2-CG 4.47Å; F346-L805 HydrophobicContact CE2-CB 4.17Å; F346-L805 HydrophobicContact CE2-CD2 3.86Å; F346-L805 HydrophobicContact CZ-CB 3.88Å; F346-L805 HydrophobicContact CZ-CD2 3.85Å; F346-L805 HydrophobicContact CZ-CG 4.41Å; F346-F841 HydrophobicContact CE1-CZ 4.5Å; F346-F841 HydrophobicContact CZ-CZ 4.33Å
347A91.8Very high90.6Very high19 Ų1967 Ų6716%0.15731%0.309CS..Hα-helixtrans-63.1-47.5172.300000111.9T343 H349 G350 R351 S794T343-A347 VanDerWaalsContact O-CB 3.31Å; T343-A347 WeakPolarHBondContact O-CB 3.49Å; T343-A347 PolarHBondContact O-N 2.84Å; A347-H349 VanDerWaalsContact C-N 3.33Å; A347-H349 PolarHBondContact O-N 3.48Å; A347-G350 PolarHBondContact O-N 2.88Å; A347-R351 PolarHBondContact O-N 3.21Å; A347-S794 VanDerWaalsContact CA-O 3.32Å; A347-S794 WeakPolarHBondContact CA-O 3.48Å; A347-S794 WeakPolarHBondContact CB-O 3.44Å; A347-S794 PolarHBondContact O-OG 2.95Å
348L94.2Very high91.1Very high114 Ų11464.4 Ų64.460%0.59731%0.305SS*.Hα-helixtrans-60.2-41.9176.5-179.162.1000112.1K344 M345 R351 L352K344-L348 WeakPolarHBondContact O-CB 3.27Å; K344-L348 PolarHBondContact O-N 3.26Å; M345-L348 PolarHBondContact O-N 2.91Å; L348-R351 PolarHBondContact O-N 3Å; L348-L352 WeakPolarHBondContact O-CB 3.18Å; L348-L352 PolarHBondContact O-N 3.27Å
349H93.3Very high91.6Very high39 Ų3965.5 Ų65.518%0.18132%0.319CS..Hα-helixtrans-60.8-47.8174.5176.388.5000112.2M345 F346 A347 R351 L352 I353 I845 F846M345-H349 WeakPolarHBondContact O-CB 3.46Å; M345-H349 PolarHBondContact O-N 3.33Å; F346-H349 PolarHBondContact O-N 2.91Å; A347-H349 VanDerWaalsContact C-N 3.33Å; A347-H349 PolarHBondContact O-N 3.48Å; H349-R351 PolarHBondContact O-N 3.16Å; H349-L352 PolarHBondContact O-N 3.43Å; H349-I353 WeakPolarHBondContact NE2-CD1 3.23Å; H349-I353 PolarHBondContact O-N 3.15Å; H349-I353 VanDerWaalsContact O-N 3.1Å; H349-I845 PolarHBondContact NE2-O 3.12Å; H349-F846 AromaticContact CE1-CE1 3.57Å; H349-F846 AromaticContact CE1-CZ 3.76Å
350G92.6Very high92.1Very high0 Ų065.1 Ų65.10%032%0.318CS..Hα-helixtrans-58.2-46174.900000112.4F346 A347 L352 I353 A354F346-G350 PolarHBondContact O-N 3.45Å; A347-G350 PolarHBondContact O-N 2.88Å; G350-L352 PolarHBondContact O-N 2.99Å; G350-I353 PolarHBondContact O-N 3.07Å; G350-A354 VanDerWaalsContact O-CB 3.29Å; G350-A354 WeakPolarHBondContact O-CB 3.43Å; G350-A354 PolarHBondContact O-N 3.2Å
351R92.8Very high92.5Very high127 Ų12763.1 Ų63.148%0.47931%0.309SS..Hα-helixtrans-62-41.3177.1-160.6178.7-168.1-149.71.2112.6A347 L348 H349 A354 R355 D791A347-R351 PolarHBondContact O-N 3.21Å; L348-R351 PolarHBondContact O-N 3Å; H349-R351 PolarHBondContact O-N 3.16Å; R351-A354 PolarHBondContact O-N 3.37Å; R351-R355 PolarHBondContact O-N 3.03Å; R351-R355 VanDerWaalsContact O-N 3.08Å; R351-D791 IonicContact NE-OD1 3.96Å
352L93.3Very high92.8Very high110 Ų11066.9 Ų66.958%0.57632%0.324SS*.Hα-helixtrans-63.3-45.3178.5178.861.8000112L348 H349 G350 R355L348-L352 WeakPolarHBondContact O-CB 3.18Å; L348-L352 PolarHBondContact O-N 3.27Å; H349-L352 PolarHBondContact O-N 3.43Å; G350-L352 PolarHBondContact O-N 2.99Å; L352-R355 PolarHBondContact O-N 2.92Å
353I94.5Very high93.1Very high4 Ų470.3 Ų70.32%0.02135%0.345CS..Hα-helixtrans-66.7-44.5176.9-68.7166.8000110.7H349 G350 R355 H356 P357 V360 I845 F846 V849 A850H349-I353 WeakPolarHBondContact NE2-CD1 3.23Å; H349-I353 PolarHBondContact O-N 3.15Å; H349-I353 VanDerWaalsContact O-N 3.1Å; G350-I353 PolarHBondContact O-N 3.07Å; I353-R355 PolarHBondContact O-N 3.46Å; I353-H356 CarbonylContact O-C 3.54Å; I353-H356 PolarHBondContact O-N 3Å; I353-P357 WeakPolarHBondContact O-CA 3.36Å; I353-P357 VanDerWaalsContact O-CD 3.32Å; I353-P357 WeakPolarHBondContact O-CD 3.4Å; I353-V360 HydrophobicContact CG1-CG1 4.49Å; I353-V360 HydrophobicContact CG1-CG2 4.22Å; I353-V360 HydrophobicContact CG2-CB 4.49Å; I353-V360 HydrophobicContact CG2-CG1 4.28Å; I353-V360 HydrophobicContact CG2-CG2 4.29Å; I353-I845 WeakPolarHBondContact CD1-O 3.22Å; I353-F846 HydrophobicContact CD1-CD1 3.89Å; I353-F846 HydrophobicContact CD1-CE1 4.46Å; I353-F846 HydrophobicContact CG1-CD1 4.43Å; I353-V849 HydrophobicContact CB-CG1 4.13Å; I353-V849 HydrophobicContact CD1-CB 4.41Å; I353-V849 HydrophobicContact CD1-CG1 4.29Å; I353-V849 HydrophobicContact CG2-CB 4.21Å; I353-V849 HydrophobicContact CG2-CG1 3.81Å; I353-A850 HydrophobicContact CG2-CB 3.79Å
354A91Very high93.3Very high0 Ų068.6 Ų68.60%034%0.335CS..Hα-helixtrans-62.6-29.9-178.300000112.4G350 R351 P357 E790 I793 T853 R857G350-A354 VanDerWaalsContact O-CB 3.29Å; G350-A354 WeakPolarHBondContact O-CB 3.43Å; G350-A354 PolarHBondContact O-N 3.2Å; R351-A354 PolarHBondContact O-N 3.37Å; A354-P357 VanDerWaalsContact O-CD 3.29Å; A354-P357 WeakPolarHBondContact O-CD 3.48Å; A354-E790 HydrophobicContact CB-CB 4.15Å; A354-E790 HydrophobicContact CB-CG 3.66Å; A354-I793 HydrophobicContact CB-CB 4.09Å; A354-I793 HydrophobicContact CB-CG1 4.4Å; A354-I793 HydrophobicContact CB-CG2 4.03Å; A354-T853 HydrophobicContact CB-CG2 3.87Å; A354-R857 PolarHBondContact O-NH2 3.29Å
355R91.8Very high93.4Very high161 Ų16166.7 Ų66.761%0.60833%0.331SS*.Hα-helixtrans-66.4-34.6171.8-168.3-178.6175.8156.51.7113.4R351 L352 I353R351-R355 PolarHBondContact O-N 3.03Å; R351-R355 VanDerWaalsContact O-N 3.08Å; L352-R355 PolarHBondContact O-N 2.92Å; I353-R355 PolarHBondContact O-N 3.46Å
356H93.2Very high93.5Very high99 Ų9963 Ų6346%0.45832%0.324SS..SBendtrans-132.546-172.5-63.9-73.4000115.6I353 I358 S359 V360I353-H356 CarbonylContact O-C 3.54Å; I353-H356 PolarHBondContact O-N 3Å; H356-I358 PolarHBondContact O-N 3.18Å; H356-S359 PolarHBondContact O-N 3.46Å; H356-S359 VanDerWaalsContact O-N 3.13Å; H356-V360 PolarHBondContact O-N 3.46Å
357P92.6Very high93.5Very high5 Ų565.9 Ų65.93%0.03234%0.342CS..Hα-helixtrans-65.4-35.2-165.525.5-35.2000113.5I353 A354 S359 V360 L361 A850 T853 L854I353-P357 WeakPolarHBondContact O-CA 3.36Å; I353-P357 VanDerWaalsContact O-CD 3.32Å; I353-P357 WeakPolarHBondContact O-CD 3.4Å; A354-P357 VanDerWaalsContact O-CD 3.29Å; A354-P357 WeakPolarHBondContact O-CD 3.48Å; P357-S359 VanDerWaalsContact C-N 3.34Å; P357-S359 PolarHBondContact O-N 3.49Å; P357-V360 PolarHBondContact O-N 3.45Å; P357-L361 WeakPolarHBondContact O-CG 3.23Å; P357-L361 PolarHBondContact O-N 3.43Å; P357-A850 HydrophobicContact CB-CB 3.75Å; P357-T853 HydrophobicContact CB-CG2 4.48Å; P357-T853 HydrophobicContact CG-CG2 4.16Å; P357-L854 HydrophobicContact CB-CG 4.26Å; P357-L854 HydrophobicContact CG-CD2 4.02Å; P357-L854 HydrophobicContact CG-CG 4.26Å
358I92.7Very high93.6Very high105 Ų10566.3 Ų66.354%0.53834%0.342SS..Hα-helixtrans-64.1-40.2178.7-60.9174.3000110.9H356 L361 F362 L854H356-I358 PolarHBondContact O-N 3.18Å; I358-L361 PolarHBondContact O-N 3.07Å; I358-F362 HydrophobicContact CG2-CD2 3.91Å; I358-F362 HydrophobicContact CG2-CE2 3.63Å; I358-F362 VanDerWaalsContact O-CD2 3.23Å; I358-F362 WeakPolarHBondContact O-CD2 3.44Å; I358-F362 PolarHBondContact O-N 3.19Å; I358-F362 VanDerWaalsContact O-N 3.11Å; I358-L854 HydrophobicContact CG1-CD2 4.48Å
359S94.3Very high93.6Very high74 Ų7466.2 Ų66.252%0.51734%0.341SS..Hα-helixtrans-66.1-45.3177.1-170.50000111.1H356 P357 L361 F362 V363H356-S359 PolarHBondContact O-N 3.46Å; H356-S359 VanDerWaalsContact O-N 3.13Å; P357-S359 VanDerWaalsContact C-N 3.34Å; P357-S359 PolarHBondContact O-N 3.49Å; S359-L361 VanDerWaalsContact C-N 3.27Å; S359-L361 PolarHBondContact O-N 3.39Å; S359-F362 PolarHBondContact O-N 3.11Å; S359-V363 WeakPolarHBondContact O-CG2 3.39Å; S359-V363 PolarHBondContact O-N 2.88Å
360V94.7Very high93.6Very high25 Ų2566.3 Ų66.315%0.15235%0.353CS..Hα-helixtrans-59.1-38.5176.1176.10000111.5I353 H356 P357 V363 S364 F846 A850I353-V360 HydrophobicContact CG1-CG1 4.49Å; I353-V360 HydrophobicContact CG1-CG2 4.22Å; I353-V360 HydrophobicContact CG2-CB 4.49Å; I353-V360 HydrophobicContact CG2-CG1 4.28Å; I353-V360 HydrophobicContact CG2-CG2 4.29Å; H356-V360 PolarHBondContact O-N 3.46Å; P357-V360 PolarHBondContact O-N 3.45Å; V360-V363 PolarHBondContact O-N 3.48Å; V360-S364 VanDerWaalsContact O-CB 3.31Å; V360-S364 WeakPolarHBondContact O-CB 3.24Å; V360-S364 PolarHBondContact O-N 2.92Å; V360-S364 PolarHBondContact O-OG 2.96Å; V360-F846 HydrophobicContact CG1-CB 4.01Å; V360-F846 HydrophobicContact CG1-CD1 4.21Å; V360-A850 HydrophobicContact CB-CB 4.31Å; V360-A850 HydrophobicContact CG1-CB 4.22Å
361L93.7Very high93.7Very high40 Ų4068.1 Ų68.121%0.20936%0.363CS..Hα-helixtrans-68.4-41.3177-73.4168.2000113P357 I358 S359 S364 L365 A847 A850 L851 L854P357-L361 WeakPolarHBondContact O-CG 3.23Å; P357-L361 PolarHBondContact O-N 3.43Å; I358-L361 PolarHBondContact O-N 3.07Å; S359-L361 VanDerWaalsContact C-N 3.27Å; S359-L361 PolarHBondContact O-N 3.39Å; L361-S364 PolarHBondContact O-N 3.32Å; L361-L365 VanDerWaalsContact O-CB 3.24Å; L361-L365 WeakPolarHBondContact O-CB 3.36Å; L361-L365 PolarHBondContact O-N 3.14Å; L361-A847 HydrophobicContact CD2-CB 3.94Å; L361-A850 HydrophobicContact CD1-CB 4.18Å; L361-A850 HydrophobicContact CD2-CB 4.14Å; L361-A850 HydrophobicContact CG-CB 3.79Å; L361-L851 HydrophobicContact CD1-CD2 4.23Å; L361-L851 HydrophobicContact CD1-CG 4.29Å; L361-L851 HydrophobicContact CD2-CD1 4.25Å; L361-L851 HydrophobicContact CD2-CD2 4.45Å; L361-L851 HydrophobicContact CD2-CG 3.93Å; L361-L854 HydrophobicContact CD1-CD1 3.68Å
362F95.1Very high93.8Very high149 Ų14963 Ų6365%0.65435%0.347SS*.Hα-helixtrans-63.9-41.1173.5-78.5-62.1000112.4I358 S359 G366I358-F362 HydrophobicContact CG2-CD2 3.91Å; I358-F362 HydrophobicContact CG2-CE2 3.63Å; I358-F362 VanDerWaalsContact O-CD2 3.23Å; I358-F362 WeakPolarHBondContact O-CD2 3.44Å; I358-F362 PolarHBondContact O-N 3.19Å; I358-F362 VanDerWaalsContact O-N 3.11Å; S359-F362 PolarHBondContact O-N 3.11Å; F362-G366 PolarHBondContact O-N 2.71Å
363V94.6Very high93.8Very high92 Ų9259.3 Ų59.356%0.55834%0.335SS*.Hα-helixtrans-64.5-46.7175.6173.20000111.1S359 V360 L365 G366 V367S359-V363 WeakPolarHBondContact O-CG2 3.39Å; S359-V363 PolarHBondContact O-N 2.88Å; V360-V363 PolarHBondContact O-N 3.48Å; V363-L365 PolarHBondContact O-N 2.91Å; V363-G366 PolarHBondContact O-N 3.38Å; V363-V367 WeakPolarHBondContact O-CG2 3Å; V363-V367 PolarHBondContact O-N 3.01Å
364S93.8Very high93.7Very high11 Ų1159.1 Ų59.18%0.07733%0.334CS..Hα-helixtrans-62-42.8178.3-57.10000111.6V360 L361 V367 I368V360-S364 VanDerWaalsContact O-CB 3.31Å; V360-S364 WeakPolarHBondContact O-CB 3.24Å; V360-S364 PolarHBondContact O-N 2.92Å; V360-S364 PolarHBondContact O-OG 2.96Å; L361-S364 PolarHBondContact O-N 3.32Å; S364-V367 PolarHBondContact O-N 3.44Å; S364-I368 VanDerWaalsContact O-CG1 3.25Å; S364-I368 WeakPolarHBondContact O-CG1 3.21Å; S364-I368 PolarHBondContact O-N 2.92Å
365L93.6Very high93.7Very high87 Ų8762 Ų6246%0.45535%0.349SS..Hα-helixtrans-62.8-43175.6-179.660.9000111.7L361 V363 V367 I368 L369L361-L365 VanDerWaalsContact O-CB 3.24Å; L361-L365 WeakPolarHBondContact O-CB 3.36Å; L361-L365 PolarHBondContact O-N 3.14Å; V363-L365 PolarHBondContact O-N 2.91Å; L365-V367 VanDerWaalsContact C-N 3.35Å; L365-V367 PolarHBondContact O-N 3.37Å; L365-I368 PolarHBondContact O-N 3.42Å; L365-L369 HydrophobicContact CD1-CD1 4.05Å; L365-L369 HydrophobicContact CD1-CG 4.14Å; L365-L369 HydrophobicContact CG-CD1 3.97Å; L365-L369 HydrophobicContact CG-CG 4.46Å; L365-L369 WeakPolarHBondContact O-CB 3.24Å; L365-L369 VanDerWaalsContact O-CG 3.28Å; L365-L369 WeakPolarHBondContact O-CG 3.5Å; L365-L369 PolarHBondContact O-N 2.73Å
366G94.9Very high93.8Very high43 Ų4358.5 Ų58.544%0.44335%0.354SS..Hα-helixtrans-60.6-41.517500000113F362 V363 G370F362-G366 PolarHBondContact O-N 2.71Å; V363-G366 PolarHBondContact O-N 3.38Å; G366-G370 PolarHBondContact O-N 3.14Å
367V94.5Very high93.7Very high79 Ų7959.2 Ų59.248%0.47936%0.356SS..Hα-helixtrans-67.1-44175.5172.10000111.6V363 S364 L365 G370 L371V363-V367 WeakPolarHBondContact O-CG2 3Å; V363-V367 PolarHBondContact O-N 3.01Å; S364-V367 PolarHBondContact O-N 3.44Å; L365-V367 VanDerWaalsContact C-N 3.35Å; L365-V367 PolarHBondContact O-N 3.37Å; V367-G370 PolarHBondContact O-N 2.85Å; V367-L371 HydrophobicContact CG1-CD1 3.83Å; V367-L371 HydrophobicContact CG1-CG 4.45Å; V367-L371 WeakPolarHBondContact O-CG 3.38Å; V367-L371 PolarHBondContact O-N 3.05Å
368I94.1Very high93.6Very high28 Ų2862.3 Ų62.314%0.14437%0.372CS..Hα-helixtrans-57.8-51.8174.9-69.5161.8000110.2S364 L365 G370 L371 S372 A681 L843S364-I368 VanDerWaalsContact O-CG1 3.25Å; S364-I368 WeakPolarHBondContact O-CG1 3.21Å; S364-I368 PolarHBondContact O-N 2.92Å; L365-I368 PolarHBondContact O-N 3.42Å; I368-G370 VanDerWaalsContact C-N 3.33Å; I368-G370 PolarHBondContact O-N 3.16Å; I368-L371 PolarHBondContact O-N 2.91Å; I368-S372 VanDerWaalsContact O-CB 3.29Å; I368-S372 WeakPolarHBondContact O-CB 3.32Å; I368-S372 PolarHBondContact O-N 2.93Å; I368-S372 PolarHBondContact O-OG 2.96Å; I368-S372 VanDerWaalsContact O-OG 3.06Å; I368-A681 HydrophobicContact CD1-CB 4.13Å; I368-A681 HydrophobicContact CG1-CB 4.45Å; I368-A681 HydrophobicContact CG2-CB 4.02Å; I368-L843 HydrophobicContact CD1-CD1 3.84Å; I368-L843 HydrophobicContact CD1-CD2 3.77Å; I368-L843 HydrophobicContact CD1-CG 4.46Å; I368-L843 HydrophobicContact CG1-CD1 3.79Å; I368-L843 HydrophobicContact CG1-CD2 3.76Å; I368-L843 HydrophobicContact CG1-CG 4.43Å
369L93.9Very high93.3Very high112 Ų11261.9 Ų61.959%0.58637%0.368SS*.Hα-helixtrans-62.4-39.8-178.9-70171.4000112L365 G373L365-L369 HydrophobicContact CD1-CD1 4.05Å; L365-L369 HydrophobicContact CD1-CG 4.14Å; L365-L369 HydrophobicContact CG-CD1 3.97Å; L365-L369 HydrophobicContact CG-CG 4.46Å; L365-L369 WeakPolarHBondContact O-CB 3.24Å; L365-L369 VanDerWaalsContact O-CG 3.28Å; L365-L369 WeakPolarHBondContact O-CG 3.5Å; L365-L369 PolarHBondContact O-N 2.73Å; L369-G373 PolarHBondContact O-N 3.26Å
370G94.8Very high92.9Very high42 Ų4262.8 Ų62.843%0.43337%0.37SS..Hα-helixtrans-62.3-44.4174.800000113.1G366 V367 I368 Y692G366-G370 PolarHBondContact O-N 3.14Å; V367-G370 PolarHBondContact O-N 2.85Å; I368-G370 VanDerWaalsContact C-N 3.33Å; I368-G370 PolarHBondContact O-N 3.16Å; G370-Y692 WeakPolarHBondContact O-CE2 3.38Å; G370-Y692 PolarHBondContact O-OH 3.25Å
371L94.6Very high92.3Very high38 Ų3862.9 Ų62.920%0.19937%0.371CS..Hα-helixtrans-71.4-44.6177.9-68.2168.9000112.1V367 I368 G373 G374 A685 G688 F689 F839V367-L371 HydrophobicContact CG1-CD1 3.83Å; V367-L371 HydrophobicContact CG1-CG 4.45Å; V367-L371 WeakPolarHBondContact O-CG 3.38Å; V367-L371 PolarHBondContact O-N 3.05Å; I368-L371 PolarHBondContact O-N 2.91Å; L371-G373 PolarHBondContact O-N 2.96Å; L371-G374 PolarHBondContact O-N 3.44Å; L371-A685 HydrophobicContact CB-CB 3.8Å; L371-A685 HydrophobicContact CD1-CB 4.04Å; L371-G688 CarbonylContact O-C 3.56Å; L371-G688 VanDerWaalsContact O-CA 3.3Å; L371-G688 WeakPolarHBondContact O-CA 3.27Å; L371-F689 HydrophobicContact CD2-CB 4.4Å; L371-F689 HydrophobicContact CD2-CD2 4.19Å; L371-F839 HydrophobicContact CD1-CD1 4.22Å; L371-F839 HydrophobicContact CD1-CE1 3.77Å; L371-F839 HydrophobicContact CD1-CE2 4.13Å; L371-F839 HydrophobicContact CD1-CZ 3.71Å; L371-F839 HydrophobicContact CD2-CZ 4.03Å; L371-F839 HydrophobicContact CG-CZ 4.5Å
372S93.4Very high91.4Very high20 Ų2064.9 Ų64.914%0.1439%0.385CS..Hα-helixtrans-68.4-20.1178.9-610000113.5I368 G374 L375I368-S372 VanDerWaalsContact O-CB 3.29Å; I368-S372 WeakPolarHBondContact O-CB 3.32Å; I368-S372 PolarHBondContact O-N 2.93Å; I368-S372 PolarHBondContact O-OG 2.96Å; I368-S372 VanDerWaalsContact O-OG 3.06Å; S372-G374 PolarHBondContact O-N 3.43Å; S372-G374 VanDerWaalsContact O-N 3.1Å; S372-L375 VanDerWaalsContact O-CB 3.28Å; S372-L375 WeakPolarHBondContact O-CB 3.47Å; S372-L375 WeakPolarHBondContact O-CD1 3.38Å; S372-L375 WeakPolarHBondContact O-CG 3.37Å; S372-L375 PolarHBondContact O-N 3.44Å
373G94.1Very high90.6Very high32 Ų3260.1 Ų60.133%0.3337%0.366SS..G310 helixtrans-56.2-24.4173.700000114L369 L371 L375 A376 Y692L369-G373 PolarHBondContact O-N 3.26Å; L371-G373 PolarHBondContact O-N 2.96Å; G373-L375 PolarHBondContact O-N 2.89Å; G373-A376 PolarHBondContact O-N 2.91Å; G373-Y692 VanDerWaalsContact C-OH 3.3Å
374G92.7Very high89.9Confident0 Ų058 Ų580%035%0.354CS..G310 helixtrans-65-16.2175.900000114.2L371 S372 A376 F377 G688 S691 Y692L371-G374 PolarHBondContact O-N 3.44Å; S372-G374 PolarHBondContact O-N 3.43Å; S372-G374 VanDerWaalsContact O-N 3.1Å; G374-A376 PolarHBondContact O-N 2.91Å; G374-A376 VanDerWaalsContact O-N 3.1Å; G374-F377 PolarHBondContact O-N 3.5Å; G374-G688 WeakPolarHBondContact CA-O 3.13Å; G374-S691 WeakPolarHBondContact O-CB 3.46Å; G374-Y692 VanDerWaalsContact CA-CZ 3.43Å; G374-Y692 PolarHBondContact N-OH 2.9Å
375L91.3Very high89.4Confident59 Ų5958.4 Ų58.431%0.30936%0.356SS..G310 helixtrans-58.8-19.8173.5-67.7168.3000113.2S372 G373 F377 L378 L684 V687S372-L375 VanDerWaalsContact O-CB 3.28Å; S372-L375 WeakPolarHBondContact O-CB 3.47Å; S372-L375 WeakPolarHBondContact O-CD1 3.38Å; S372-L375 WeakPolarHBondContact O-CG 3.37Å; S372-L375 PolarHBondContact O-N 3.44Å; G373-L375 PolarHBondContact O-N 2.89Å; L375-F377 PolarHBondContact O-N 3.48Å; L375-L378 HydrophobicContact CD2-CD2 4.42Å; L375-L378 VanDerWaalsContact O-CB 3.23Å; L375-L378 WeakPolarHBondContact O-CB 3.37Å; L375-L378 PolarHBondContact O-N 2.95Å; L375-L684 HydrophobicContact CD1-CB 4.46Å; L375-L684 HydrophobicContact CD1-CD2 4.12Å; L375-V687 HydrophobicContact CD2-CB 4.13Å; L375-V687 HydrophobicContact CD2-CG1 3.55Å
376A92.6Very high89Confident88 Ų8856.9 Ų56.973%0.72735%0.347SS*.G310 helixtrans-62.9-19.1170.700000113.7G373 G374G373-A376 PolarHBondContact O-N 2.91Å; G374-A376 PolarHBondContact O-N 2.91Å; G374-A376 VanDerWaalsContact O-N 3.1Å
377F92Very high88.3Confident114 Ų11456 Ų5650%0.533%0.332SS..G310 helixtrans-108.113.2177.7-55.9-76.3000112.8G374 L375 Q379 Y692G374-F377 PolarHBondContact O-N 3.5Å; L375-F377 PolarHBondContact O-N 3.48Å; F377-Q379 PolarHBondContact O-N 2.97Å; F377-Y692 HydrophobicContact CD2-CD1 4.13Å; F377-Y692 HydrophobicContact CD2-CE1 4.28Å; F377-Y692 HydrophobicContact CE2-CD1 4.25Å; F377-Y692 HydrophobicContact CE2-CE1 4.1Å
378L89.5Confident87.8Confident70 Ų7055.2 Ų55.237%0.36632%0.32SS..  trans-60.8123.3-177-174.267.4000111.5L375 V687 S691 I697L375-L378 HydrophobicContact CD2-CD2 4.42Å; L375-L378 VanDerWaalsContact O-CB 3.23Å; L375-L378 WeakPolarHBondContact O-CB 3.37Å; L375-L378 PolarHBondContact O-N 2.95Å; L378-V687 HydrophobicContact CD1-CG1 3.56Å; L378-S691 WeakPolarHBondContact CD1-OG 3.44Å; L378-I697 HydrophobicContact CD1-CB 4.06Å; L378-I697 HydrophobicContact CD1-CD1 4.48Å; L378-I697 HydrophobicContact CD1-CG2 3.66Å; L378-I697 HydrophobicContact CG-CG2 4.2Å
379Q88.1Confident87.5Confident96 Ų9654 Ų5445%0.44932%0.315SS..  trans-118.3119.8173.2-61.9-174.738.400109.5F377 P696 I697F377-Q379 PolarHBondContact O-N 2.97Å; Q379-P696 HydrophobicContact CB-CB 4.38Å; Q379-P696 CarbonylContact O-C 3.56Å; Q379-P696 WeakPolarHBondContact O-CA 3.19Å; Q379-P696 WeakPolarHBondContact O-CB 3.47Å; Q379-I697 PolarHBondContact O-N 2.92Å
380V85.3Confident87.1Confident93 Ų9349.4 Ų49.456%0.56429%0.294SS*.BIsolated β-bridgetrans-88.2135.1173.2-172.40000108.8I697V380-I697 WeakPolarHBondContact CA-O 3.35Å; V380-I697 HydrophobicContact CB-CG2 4.19Å; V380-I697 HydrophobicContact CG1-CG2 4.41Å; V380-I697 HydrophobicContact CG2-CG2 3.75Å
381T82.3Confident86.7Confident27 Ų2754 Ų5417%0.16630%0.302CS..  trans-106.7115.4170.8-172.70000111.6L387 P696 I697 T698T381-L387 HydrophobicContact CG2-CD2 3.89Å; T381-L387 HydrophobicContact CG2-CG 4.41Å; T381-P696 HydrophobicContact CG2-CB 4.16Å; T381-P696 HydrophobicContact CG2-CG 4.29Å; T381-I697 PolarHBondContact N-O 3.26Å; T381-T698 HydrophobicContact CG2-CG2 4.07Å
382T75.4Confident86.4Confident83 Ų8360.8 Ų60.851%0.50933%0.333SS..  trans-94-23.117457.30000112.6P384 E625T382-P384 WeakPolarHBondContact O-CD 3.29Å; T382-E625 WeakPolarHBondContact CB-OE1 3.34Å; T382-E625 PolarHBondContact OG1-OE1 2.96Å
383N76.8Confident86.2Confident48 Ų4861.1 Ų61.126%0.25734%0.335SS..  trans-66117.1-170.3-175.8-32000110.8V385 E386 L387N383-V385 PolarHBondContact O-N 3Å; N383-V385 VanDerWaalsContact O-N 3.15Å; N383-V385 WeakPolarHBondContact OD1-CB 3.41Å; N383-V385 PolarHBondContact OD1-N 3.16Å; N383-E386 PolarHBondContact O-N 3.17Å; N383-L387 PolarHBondContact O-N 3.11Å
384P80.6Confident86.2Confident47 Ų4764.4 Ų64.431%0.30534%0.337SS..Hα-helixtrans-63.7-24.1-175.626.3-35000113T382 L387 W388 F1243T382-P384 WeakPolarHBondContact O-CD 3.29Å; P384-L387 PolarHBondContact O-N 3.19Å; P384-W388 WeakPolarHBondContact O-CB 3.46Å; P384-W388 PolarHBondContact O-N 3.39Å; P384-F1243 HydrophobicContact CB-CE1 3.88Å; P384-F1243 HydrophobicContact CB-CZ 4.47Å; P384-F1243 HydrophobicContact CG-CE1 4.15Å; P384-F1243 HydrophobicContact CG-CZ 4.27Å
385V83.9Confident86.1Confident20 Ų2064.5 Ų64.512%0.12134%0.338CS..Hα-helixtrans-70-41178.7-173.40000110.8N383 L387 S389 V1242 F1243N383-V385 PolarHBondContact O-N 3Å; N383-V385 VanDerWaalsContact O-N 3.15Å; N383-V385 WeakPolarHBondContact OD1-CB 3.41Å; N383-V385 PolarHBondContact OD1-N 3.16Å; V385-L387 VanDerWaalsContact C-N 3.35Å; V385-S389 WeakPolarHBondContact CG1-OG 3.36Å; V385-S389 WeakPolarHBondContact O-CB 3.37Å; V385-S389 PolarHBondContact O-N 3.12Å; V385-S389 PolarHBondContact O-OG 2.76Å; V385-V1242 HydrophobicContact CG1-CB 4.43Å; V385-V1242 HydrophobicContact CG1-CG2 4.21Å; V385-V1242 HydrophobicContact CG2-CG2 4.35Å; V385-F1243 HydrophobicContact CB-CE1 4.42Å; V385-F1243 HydrophobicContact CG2-CE1 3.76Å; V385-F1243 HydrophobicContact CG2-CZ 3.69Å
386E83.9Confident86.2Confident56 Ų5663.2 Ų63.226%0.26233%0.329SS..Hα-helixtrans-74.5-25.2176.8-69.9-73.110800112.6N383 K391 R396N383-E386 PolarHBondContact O-N 3.17Å; E386-K391 IonicContact OE1-NZ 2.68Å; E386-K391 WeakPolarHBondContact OE2-CE 3.17Å; E386-K391 IonicContact OE2-NZ 3.39Å; E386-K391 PolarHBondContact OE2-NZ 3.47Å; E386-R396 IonicContact OE1-CZ 3.75Å; E386-R396 IonicContact OE1-NE 2.64Å; E386-R396 IonicContact OE1-NH2 3.54Å; E386-R396 PolarHBondContact OE1-NH2 3.21Å
387L81Confident86.2Confident24 Ų2463.9 Ų63.913%0.12632%0.32CS..Hα-helixtrans-75.5-46175.9-71.8167.8000112.4T381 N383 P384 V385 T698 A825T381-L387 HydrophobicContact CG2-CD2 3.89Å; T381-L387 HydrophobicContact CG2-CG 4.41Å; N383-L387 PolarHBondContact O-N 3.11Å; P384-L387 PolarHBondContact O-N 3.19Å; V385-L387 VanDerWaalsContact C-N 3.35Å; L387-T698 HydrophobicContact CD2-CG2 3.4Å; L387-T698 VanDerWaalsContact CD2-CG2 3.4Å; L387-A825 WeakPolarHBondContact O-CB 3.36Å; L387-A825 PolarHBondContact O-N 2.93Å
388W84.1Confident86.3Confident63 Ų6359.2 Ų59.224%0.23930%0.3CS..Hα-helixtrans-105.8-17.2-167.3-55.9123000115.3P384 I700 A825 F1243 A1307 L1308P384-W388 WeakPolarHBondContact O-CB 3.46Å; P384-W388 PolarHBondContact O-N 3.39Å; W388-I700 HydrophobicContact CH2-CD1 3.91Å; W388-A825 HydrophobicContact CE3-CB 4.27Å; W388-A825 HydrophobicContact CZ3-CB 3.91Å; W388-F1243 HydrophobicContact CB-CD1 4.49Å; W388-A1307 HydrophobicContact CE3-CB 4.16Å; W388-A1307 HydrophobicContact CZ3-CB 3.72Å; W388-L1308 HydrophobicContact CH2-CD2 3.87Å; W388-L1308 HydrophobicContact CH2-CG 4.01Å
389S86.5Confident86.5Confident3 Ų357.3 Ų57.32%0.02129%0.289CS..SBendtrans-112.1124.4177.377.80000112V385 R396 V1242V385-S389 WeakPolarHBondContact CG1-OG 3.36Å; V385-S389 WeakPolarHBondContact O-CB 3.37Å; V385-S389 PolarHBondContact O-N 3.12Å; V385-S389 PolarHBondContact O-OG 2.76Å; S389-R396 WeakPolarHBondContact OG-CD 3.46Å; S389-V1242 WeakPolarHBondContact CB-O 3.06Å
390G85.8Confident86.7Confident15 Ų1555.1 Ų55.116%0.15528%0.28CS..  trans-65.1141.7173.700000111.2E392 S393 R396G390-E392 PolarHBondContact O-N 3.17Å; G390-E392 VanDerWaalsContact O-N 3.13Å; G390-S393 VanDerWaalsContact O-CB 3.26Å; G390-S393 WeakPolarHBondContact O-CB 3.21Å; G390-S393 PolarHBondContact O-N 3.02Å; G390-R396 VanDerWaalsContact O-CB 3.23Å; G390-R396 WeakPolarHBondContact O-CB 3.11Å; G390-R396 WeakPolarHBondContact O-CG 3.26Å
391K87.1Confident87.1Confident139 Ų13953.2 Ų53.260%0.60426%0.263SS*.THydrogen-bonded Turntrans-62.8-22.8-178.3-61-167.6177.9-166.10113.7E386E386-K391 IonicContact OE1-NZ 2.68Å; E386-K391 WeakPolarHBondContact OE2-CE 3.17Å; E386-K391 IonicContact OE2-NZ 3.39Å; E386-K391 PolarHBondContact OE2-NZ 3.47Å
392E87.9Confident87.7Confident180 Ų18052.3 Ų52.384%0.84126%0.257SS*.THydrogen-bonded Turntrans-98.42.1176.7-63.5168.7-171.300112.7G390G390-E392 PolarHBondContact O-N 3.17Å; G390-E392 VanDerWaalsContact O-N 3.13Å
393S90.3Very high88.5Confident27 Ų2749.2 Ų49.219%0.18924%0.237CC..SBendtrans-68.9147.1180106.90000111G390 S395 R396 L397 E1245G390-S393 VanDerWaalsContact O-CB 3.26Å; G390-S393 WeakPolarHBondContact O-CB 3.21Å; G390-S393 PolarHBondContact O-N 3.02Å; S393-S395 PolarHBondContact O-N 2.92Å; S393-R396 PolarHBondContact O-N 3.14Å; S393-R396 WeakPolarHBondContact OG-CB 3.43Å; S393-R396 PolarHBondContact OG-N 2.9Å; S393-L397 WeakPolarHBondContact O-CG 3.47Å; S393-L397 PolarHBondContact O-N 2.85Å; S393-E1245 WeakPolarHBondContact CB-OE2 3.43Å; S393-E1245 PolarHBondContact OG-OE2 3.03Å
394R92.3Very high89.2Confident100 Ų10053.6 Ų53.638%0.37726%0.256SS..Hα-helixtrans-60.9-44.1-176.2177.9-174.5162.2156.74.6111R396 L397 E398 E1245R394-R396 VanDerWaalsContact C-N 3.3Å; R394-R396 PolarHBondContact O-N 3.37Å; R394-L397 PolarHBondContact O-N 3.21Å; R394-E398 HydrophobicContact CG-CG 4.29Å; R394-E398 IonicContact CZ-OE1 3.19Å; R394-E398 IonicContact NE-OE1 3.45Å; R394-E398 PolarHBondContact NE-OE1 3.37Å; R394-E398 IonicContact NE-OE2 3.2Å; R394-E398 IonicContact NH2-OE1 3.65Å; R394-E398 PolarHBondContact NH2-OE1 3.15Å; R394-E398 WeakPolarHBondContact O-CB 3.05Å; R394-E398 VanDerWaalsContact O-CG 3.23Å; R394-E398 WeakPolarHBondContact O-CG 3.46Å; R394-E398 PolarHBondContact O-N 3.25Å; R394-E1245 WeakPolarHBondContact CB-OE1 3.34Å; R394-E1245 PolarHBondContact N-OE2 2.83Å
395S92.4Very high89.6Confident2 Ų252.5 Ų52.51%0.01425%0.247CC..Hα-helixtrans-62.7-34.2174.7-68.90000112.8S393 K399 R1207 Y1241 E1245S393-S395 PolarHBondContact O-N 2.92Å; S395-K399 VanDerWaalsContact O-CB 3.3Å; S395-K399 WeakPolarHBondContact O-CB 3.47Å; S395-K399 PolarHBondContact O-N 3.21Å; S395-R1207 PolarHBondContact OG-NH2 3.12Å; S395-Y1241 VanDerWaalsContact CB-O 3.26Å; S395-Y1241 WeakPolarHBondContact CB-O 3.29Å; S395-Y1241 PolarHBondContact OG-O 2.99Å; S395-E1245 VanDerWaalsContact CB-OE2 3.29Å; S395-E1245 WeakPolarHBondContact CB-OE2 3.31Å; S395-E1245 PolarHBondContact N-OE1 3.4Å; S395-E1245 VanDerWaalsContact N-OE1 3.17Å; S395-E1245 PolarHBondContact N-OE2 3.39Å; S395-E1245 WeakPolarHBondContact OG-CB 3.36Å; S395-E1245 VanDerWaalsContact OG-CD 3.28Å; S395-E1245 PolarHBondContact OG-OE1 2.6Å; S395-E1245 PolarHBondContact OG-OE2 2.96Å
396R92Very high90Very high33 Ų3353.2 Ų53.213%0.12525%0.248CC..Hα-helixtrans-72.3-37.5178.7-168.953.3162.7138.1-12.3111.4E386 S389 G390 S393 R394 N400E386-R396 IonicContact OE1-CZ 3.75Å; E386-R396 IonicContact OE1-NE 2.64Å; E386-R396 IonicContact OE1-NH2 3.54Å; E386-R396 PolarHBondContact OE1-NH2 3.21Å; S389-R396 WeakPolarHBondContact OG-CD 3.46Å; G390-R396 VanDerWaalsContact O-CB 3.23Å; G390-R396 WeakPolarHBondContact O-CB 3.11Å; G390-R396 WeakPolarHBondContact O-CG 3.26Å; S393-R396 PolarHBondContact O-N 3.14Å; S393-R396 WeakPolarHBondContact OG-CB 3.43Å; S393-R396 PolarHBondContact OG-N 2.9Å; R394-R396 VanDerWaalsContact C-N 3.3Å; R394-R396 PolarHBondContact O-N 3.37Å; R396-N400 PolarHBondContact NH1-OD1 3.47Å; R396-N400 WeakPolarHBondContact O-CB 3.49Å; R396-N400 PolarHBondContact O-N 3.21Å; R396-N400 PolarHBondContact O-ND2 3.22Å; R396-N400 PolarHBondContact O-OD1 3.25Å; R396-N400 VanDerWaalsContact O-OD1 3.13Å
397L93.5Very high90.2Very high102 Ų10252 Ų5253%0.53425%0.251SS..Hα-helixtrans-68-45.3172.2-65173.7000112S393 R394 K399 N400 Y401S393-L397 WeakPolarHBondContact O-CG 3.47Å; S393-L397 PolarHBondContact O-N 2.85Å; R394-L397 PolarHBondContact O-N 3.21Å; L397-K399 VanDerWaalsContact C-N 3.33Å; L397-K399 PolarHBondContact O-N 2.84Å; L397-N400 PolarHBondContact O-N 2.94Å; L397-Y401 PolarHBondContact O-N 2.68Å
398E94Very high90.6Very high16 Ų1651.4 Ų51.48%0.07525%0.25CC..Hα-helixtrans-58.1-43.4174.2-74.4171.5156.700111.1R394 F402 R1207 F1235R394-E398 HydrophobicContact CG-CG 4.29Å; R394-E398 IonicContact CZ-OE1 3.19Å; R394-E398 IonicContact NE-OE1 3.45Å; R394-E398 PolarHBondContact NE-OE1 3.37Å; R394-E398 IonicContact NE-OE2 3.2Å; R394-E398 IonicContact NH2-OE1 3.65Å; R394-E398 PolarHBondContact NH2-OE1 3.15Å; R394-E398 WeakPolarHBondContact O-CB 3.05Å; R394-E398 VanDerWaalsContact O-CG 3.23Å; R394-E398 WeakPolarHBondContact O-CG 3.46Å; R394-E398 PolarHBondContact O-N 3.25Å; E398-F402 PolarHBondContact O-N 3.08Å; E398-F402 VanDerWaalsContact O-N 3.09Å; E398-R1207 IonicContact OE2-CZ 2.74Å; E398-R1207 IonicContact OE2-NE 3.83Å; E398-R1207 IonicContact OE2-NH2 2.68Å; E398-R1207 PolarHBondContact OE2-NH2 2.98Å; E398-F1235 HydrophobicContact CB-CD2 3.64Å; E398-F1235 HydrophobicContact CB-CE2 3.65Å; E398-F1235 HydrophobicContact CB-CG 4.47Å; E398-F1235 HydrophobicContact CB-CZ 4.49Å; E398-F1235 HydrophobicContact CG-CB 4.19Å; E398-F1235 HydrophobicContact CG-CD2 3.54Å; E398-F1235 HydrophobicContact CG-CE2 4Å; E398-F1235 HydrophobicContact CG-CG 3.91Å; E398-F1235 WeakPolarHBondContact O-CE2 3.32Å; E398-F1235 WeakPolarHBondContact OE1-CB 3.29Å
399K93.8Very high90.9Very high30 Ų3049.4 Ų49.413%0.1324%0.242CC..Hα-helixtrans-62.4-50172.5176.3161177.651.20112.4S395 L397 Y401 F402 D403 Y1237 V1242S395-K399 VanDerWaalsContact O-CB 3.3Å; S395-K399 WeakPolarHBondContact O-CB 3.47Å; S395-K399 PolarHBondContact O-N 3.21Å; L397-K399 VanDerWaalsContact C-N 3.33Å; L397-K399 PolarHBondContact O-N 2.84Å; K399-Y401 PolarHBondContact O-N 3.33Å; K399-F402 WeakPolarHBondContact O-CB 3.39Å; K399-F402 PolarHBondContact O-N 3.39Å; K399-F402 VanDerWaalsContact O-N 3.11Å; K399-D403 WeakPolarHBondContact CE-OD2 3.29Å; K399-D403 VanDerWaalsContact CG-OD2 3.3Å; K399-D403 WeakPolarHBondContact CG-OD2 3.42Å; K399-D403 IonicContact NZ-OD1 3.83Å; K399-D403 PolarHBondContact NZ-OD1 2.89Å; K399-D403 IonicContact NZ-OD2 3.84Å; K399-D403 PolarHBondContact NZ-OD2 2.98Å; K399-D403 WeakPolarHBondContact O-CB 3.2Å; K399-D403 PolarHBondContact O-N 3.45Å; K399-Y1237 HydrophobicContact CB-CD2 4.33Å; K399-Y1237 HydrophobicContact CB-CE2 3.73Å; K399-Y1237 HydrophobicContact CD-CE2 4.18Å; K399-Y1237 HydrophobicContact CG-CE2 3.82Å; K399-Y1237 PolarHBondContact NZ-OH 2.92Å; K399-V1242 HydrophobicContact CB-CG1 4.01Å; K399-V1242 HydrophobicContact CD-CG1 3.97Å
400N92.8Very high91.2Very high49 Ų4951.2 Ų51.226%0.26225%0.249SC..Hα-helixtrans-62.4-34.3-176.8-67.1-7.5000111.5R396 L397 Q404R396-N400 PolarHBondContact NH1-OD1 3.47Å; R396-N400 WeakPolarHBondContact O-CB 3.49Å; R396-N400 PolarHBondContact O-N 3.21Å; R396-N400 PolarHBondContact O-ND2 3.22Å; R396-N400 PolarHBondContact O-OD1 3.25Å; R396-N400 VanDerWaalsContact O-OD1 3.13Å; L397-N400 PolarHBondContact O-N 2.94Å; N400-Q404 WeakPolarHBondContact O-CB 3.42Å; N400-Q404 WeakPolarHBondContact O-CG 3.26Å; N400-Q404 PolarHBondContact O-N 3.27Å; N400-Q404 VanDerWaalsContact O-N 3.17Å
401Y93.2Very high91.6Very high54 Ų5451.2 Ų51.221%0.21224%0.244CC..Hα-helixtrans-67.1-45.5172.1-171.2-90000111.8L397 K399 Q404 Q405 V1037 T1039 E1040 A1183 F1235L397-Y401 PolarHBondContact O-N 2.68Å; K399-Y401 PolarHBondContact O-N 3.33Å; Y401-Q404 PolarHBondContact O-N 2.91Å; Y401-Q405 HydrophobicContact CD1-CG 3.93Å; Y401-Q405 HydrophobicContact CE1-CG 3.74Å; Y401-Q405 HydrophobicContact CE2-CG 4.38Å; Y401-Q405 HydrophobicContact CG-CG 4.38Å; Y401-Q405 WeakPolarHBondContact O-CB 3.44Å; Y401-Q405 WeakPolarHBondContact O-CG 3.37Å; Y401-Q405 PolarHBondContact O-N 3.23Å; Y401-V1037 HydrophobicContact CD1-CG1 4.49Å; Y401-V1037 HydrophobicContact CE1-CG1 4.3Å; Y401-T1039 HydrophobicContact CE1-CG2 4.17Å; Y401-E1040 PolarHBondContact OH-N 3.25Å; Y401-E1040 VanDerWaalsContact OH-N 3.13Å; Y401-A1183 HydrophobicContact CE1-CB 4.09Å; Y401-F1235 AromaticContact CD1-CE1 3.77Å; Y401-F1235 HydrophobicContact CD1-CE1 3.77Å; Y401-F1235 AromaticContact CD1-CZ 3.72Å; Y401-F1235 HydrophobicContact CD1-CZ 3.72Å; Y401-F1235 HydrophobicContact CE1-CE1 4.18Å; Y401-F1235 HydrophobicContact CE1-CZ 4.5Å; Y401-F1235 HydrophobicContact CG-CE1 4.46Å; Y401-F1235 HydrophobicContact CG-CZ 4.38Å
402F94Very high91.9Very high8 Ų846.8 Ų46.84%0.03523%0.227CC..Hα-helixtrans-57.3-51.2175.1-174.9-80.6000111.5E398 K399 Q404 Q405 F406 Y1035 V1037 Y1185 Y1237E398-F402 PolarHBondContact O-N 3.08Å; E398-F402 VanDerWaalsContact O-N 3.09Å; K399-F402 WeakPolarHBondContact O-CB 3.39Å; K399-F402 PolarHBondContact O-N 3.39Å; K399-F402 VanDerWaalsContact O-N 3.11Å; F402-Q404 VanDerWaalsContact C-N 3.26Å; F402-Q404 PolarHBondContact O-N 3.33Å; F402-Q405 PolarHBondContact O-N 3.45Å; F402-Q405 VanDerWaalsContact O-N 3.09Å; F402-F406 HydrophobicContact CD1-CD2 4.38Å; F402-F406 AromaticContact CD2-CD2 3.57Å; F402-F406 HydrophobicContact CD2-CD2 3.57Å; F402-F406 HydrophobicContact CD2-CE2 4Å; F402-F406 HydrophobicContact CE1-CB 4.29Å; F402-F406 HydrophobicContact CE1-CD2 4.47Å; F402-F406 AromaticContact CE2-CD2 3.69Å; F402-F406 HydrophobicContact CE2-CD2 3.69Å; F402-F406 HydrophobicContact CE2-CE2 4.27Å; F402-F406 HydrophobicContact CE2-CG 4.43Å; F402-F406 AromaticContact CG-CD2 3.94Å; F402-F406 HydrophobicContact CG-CD2 3.94Å; F402-F406 HydrophobicContact CZ-CB 4.28Å; F402-F406 HydrophobicContact CZ-CD2 4.15Å; F402-F406 PolarHBondContact O-N 3.48Å; F402-Y1035 HydrophobicContact CE2-CD1 4.3Å; F402-Y1035 HydrophobicContact CE2-CD2 4.27Å; F402-Y1035 AromaticContact CE2-CG 3.91Å; F402-Y1035 HydrophobicContact CE2-CG 3.91Å; F402-Y1035 HydrophobicContact CZ-CD2 4.42Å; F402-Y1035 HydrophobicContact CZ-CG 4.33Å; F402-V1037 HydrophobicContact CD2-CG2 3.87Å; F402-V1037 HydrophobicContact CE2-CG2 4.42Å; F402-Y1185 AromaticContact CE2-CD1 3.97Å; F402-Y1185 HydrophobicContact CE2-CD1 3.97Å; F402-Y1185 HydrophobicContact CE2-CE1 4.41Å; F402-Y1185 HydrophobicContact CZ-CD1 4.36Å; F402-Y1185 HydrophobicContact CZ-CE1 4.35Å; F402-Y1237 HydrophobicContact CB-CD1 4.13Å; F402-Y1237 HydrophobicContact CB-CD2 4.43Å; F402-Y1237 HydrophobicContact CB-CE1 4.29Å; F402-Y1237 HydrophobicContact CB-CG 4.19Å; F402-Y1237 AromaticContact CD1-CD1 3.84Å; F402-Y1237 HydrophobicContact CD1-CD1 3.84Å; F402-Y1237 AromaticContact CD1-CE1 3.46Å; F402-Y1237 HydrophobicContact CD1-CE1 3.46Å; F402-Y1237 VanDerWaalsContact CD1-CE1 3.46Å; F402-Y1237 AromaticContact CD2-CD1 3.35Å; F402-Y1237 HydrophobicContact CD2-CD1 3.35Å; F402-Y1237 AromaticContact CD2-CE1 3.9Å; F402-Y1237 HydrophobicContact CD2-CE1 3.9Å; F402-Y1237 AromaticContact CD2-CG 3.93Å; F402-Y1237 HydrophobicContact CD2-CG 3.93Å; F402-Y1237 HydrophobicContact CE1-CD1 4.08Å; F402-Y1237 AromaticContact CE1-CE1 3.67Å; F402-Y1237 HydrophobicContact CE1-CE1 3.67Å; F402-Y1237 AromaticContact CE2-CD1 3.62Å; F402-Y1237 HydrophobicContact CE2-CD1 3.62Å; F402-Y1237 HydrophobicContact CE2-CE1 4.08Å; F402-Y1237 AromaticContact CG-CD1 3.48Å; F402-Y1237 HydrophobicContact CG-CD1 3.48Å; F402-Y1237 VanDerWaalsContact CG-CD1 3.48Å; F402-Y1237 AromaticContact CG-CE1 3.6Å; F402-Y1237 HydrophobicContact CG-CE1 3.6Å; F402-Y1237 HydrophobicContact CG-CG 4.02Å; F402-Y1237 AromaticContact CZ-CD1 3.98Å; F402-Y1237 HydrophobicContact CZ-CD1 3.98Å; F402-Y1237 AromaticContact CZ-CE1 3.97Å; F402-Y1237 HydrophobicContact CZ-CE1 3.97Å
403D92.1Very high92.3Very high18 Ų1838.2 Ų38.210%0.09619%0.187CC..Hα-helixtrans-61.3-32.1-177.9-68.5-19.3000112.6K399 G407 P583K399-D403 WeakPolarHBondContact CE-OD2 3.29Å; K399-D403 VanDerWaalsContact CG-OD2 3.3Å; K399-D403 WeakPolarHBondContact CG-OD2 3.42Å; K399-D403 IonicContact NZ-OD1 3.83Å; K399-D403 PolarHBondContact NZ-OD1 2.89Å; K399-D403 IonicContact NZ-OD2 3.84Å; K399-D403 PolarHBondContact NZ-OD2 2.98Å; K399-D403 WeakPolarHBondContact O-CB 3.2Å; K399-D403 PolarHBondContact O-N 3.45Å; D403-G407 CarbonylContact O-C 3.57Å; D403-G407 VanDerWaalsContact O-CA 3.24Å; D403-G407 WeakPolarHBondContact O-CA 3.26Å; D403-G407 PolarHBondContact O-N 3.45Å; D403-P583 HydrophobicContact CB-CG 4.27Å
404Q91.4Very high92.5Very high139 Ų13938 Ų3865%0.6518%0.183SC*.Hα-helixtrans-78-30.4175.6-74.5170.310.600113.6N400 Y401 F402 R1169N400-Q404 WeakPolarHBondContact O-CB 3.42Å; N400-Q404 WeakPolarHBondContact O-CG 3.26Å; N400-Q404 PolarHBondContact O-N 3.27Å; N400-Q404 VanDerWaalsContact O-N 3.17Å; Y401-Q404 PolarHBondContact O-N 2.91Å; F402-Q404 VanDerWaalsContact C-N 3.26Å; F402-Q404 PolarHBondContact O-N 3.33Å; Q404-R1169 PolarHBondContact O-NH1 3.32Å; Q404-R1169 VanDerWaalsContact O-NH1 3.13Å
405Q90.6Very high92.7Very high24 Ų2433.2 Ų33.211%0.11217%0.165CC..Hα-helixtrans-91-41.9-172.6-69.4-69.1300112.9Y401 F402 E1040 R1169 A1183Y401-Q405 HydrophobicContact CD1-CG 3.93Å; Y401-Q405 HydrophobicContact CE1-CG 3.74Å; Y401-Q405 HydrophobicContact CE2-CG 4.38Å; Y401-Q405 HydrophobicContact CG-CG 4.38Å; Y401-Q405 WeakPolarHBondContact O-CB 3.44Å; Y401-Q405 WeakPolarHBondContact O-CG 3.37Å; Y401-Q405 PolarHBondContact O-N 3.23Å; F402-Q405 PolarHBondContact O-N 3.45Å; F402-Q405 VanDerWaalsContact O-N 3.09Å; Q405-E1040 PolarHBondContact NE2-OE1 3.07Å; Q405-R1169 PolarHBondContact O-NH1 2.04Å; Q405-A1183 HydrophobicContact CB-CB 3.95Å; Q405-A1183 HydrophobicContact CG-CB 3.79Å
406F91Very high92.9Very high35 Ų3533.2 Ų33.215%0.15417%0.165CC..THydrogen-bonded Turntrans-117-8.2-174.2-48-68.1000113.7F402 V1037 T1166 A1183 Y1185F402-F406 HydrophobicContact CD1-CD2 4.38Å; F402-F406 AromaticContact CD2-CD2 3.57Å; F402-F406 HydrophobicContact CD2-CD2 3.57Å; F402-F406 HydrophobicContact CD2-CE2 4Å; F402-F406 HydrophobicContact CE1-CB 4.29Å; F402-F406 HydrophobicContact CE1-CD2 4.47Å; F402-F406 AromaticContact CE2-CD2 3.69Å; F402-F406 HydrophobicContact CE2-CD2 3.69Å; F402-F406 HydrophobicContact CE2-CE2 4.27Å; F402-F406 HydrophobicContact CE2-CG 4.43Å; F402-F406 AromaticContact CG-CD2 3.94Å; F402-F406 HydrophobicContact CG-CD2 3.94Å; F402-F406 HydrophobicContact CZ-CB 4.28Å; F402-F406 HydrophobicContact CZ-CD2 4.15Å; F402-F406 PolarHBondContact O-N 3.48Å; F406-V1037 HydrophobicContact CE2-CG1 3.89Å; F406-V1037 HydrophobicContact CE2-CG2 4.27Å; F406-V1037 HydrophobicContact CZ-CG1 4.18Å; F406-T1166 WeakPolarHBondContact CD1-O 3.49Å; F406-A1183 HydrophobicContact CE1-CB 4.37Å; F406-A1183 HydrophobicContact CZ-CB 3.86Å; F406-Y1185 HydrophobicContact CB-CE1 4.31Å; F406-Y1185 AromaticContact CD1-CD1 3.84Å; F406-Y1185 HydrophobicContact CD1-CD1 3.84Å; F406-Y1185 HydrophobicContact CD1-CE1 4.07Å; F406-Y1185 AromaticContact CD2-CD1 3.96Å; F406-Y1185 HydrophobicContact CD2-CD1 3.96Å; F406-Y1185 AromaticContact CE1-CD1 3.96Å; F406-Y1185 HydrophobicContact CE1-CD1 3.96Å; F406-Y1185 HydrophobicContact CE2-CD1 4.06Å; F406-Y1185 AromaticContact CG-CD1 3.84Å; F406-Y1185 HydrophobicContact CG-CD1 3.84Å; F406-Y1185 HydrophobicContact CG-CE1 4.04Å; F406-Y1185 HydrophobicContact CZ-CD1 4.06Å
407G88.2Confident93Very high31 Ų3131.7 Ų31.732%0.3216%0.159SC..  trans89.4169.2-168.300000112.4D403D403-G407 CarbonylContact O-C 3.57Å; D403-G407 VanDerWaalsContact O-CA 3.24Å; D403-G407 WeakPolarHBondContact O-CA 3.26Å; D403-G407 PolarHBondContact O-N 3.45Å
408A89Confident93Very high12 Ų1231.2 Ų31.210%0.09915%0.15CC..SBendtrans-70.8135.6-179.700000111.6Y410 N581 P583A408-Y410 PolarHBondContact O-N 2.81Å; A408-N581 HydrophobicContact CB-CB 3.97Å; A408-P583 HydrophobicContact CB-CG 4.03Å
409F91.7Very high92.9Very high20 Ų2031.3 Ų31.39%0.08815%0.152CC..PPolyproline II helixtrans-51.8137174.4-180-93.9000112.1I412 N581 P1033 Y1035 Y1237 V1239F409-I412 HydrophobicContact CE1-CD1 3.73Å; F409-I412 HydrophobicContact CE1-CG1 4.39Å; F409-I412 HydrophobicContact CZ-CD1 3.78Å; F409-N581 WeakPolarHBondContact O-CB 3.48Å; F409-N581 PolarHBondContact O-ND2 3.46Å; F409-P1033 HydrophobicContact CE2-CG 3.82Å; F409-P1033 HydrophobicContact CZ-CG 3.9Å; F409-Y1035 AromaticContact CD2-CE2 3.89Å; F409-Y1035 HydrophobicContact CD2-CE2 3.89Å; F409-Y1035 AromaticContact CE2-CE2 3.73Å; F409-Y1035 HydrophobicContact CE2-CE2 3.73Å; F409-Y1237 HydrophobicContact CB-CE1 4.31Å; F409-V1239 HydrophobicContact CD1-CB 4.25Å; F409-V1239 HydrophobicContact CD1-CG2 4.27Å; F409-V1239 HydrophobicContact CE1-CB 4.27Å
410Y91.5Very high92.7Very high42 Ų4236 Ų3617%0.16517%0.173CC..PPolyproline II helixtrans-55.3152.6-172.4-51.5-74.1000114.1A408 F479A408-Y410 PolarHBondContact O-N 2.81Å; Y410-F479 HydrophobicContact CD1-CB 4.09Å; Y410-F479 HydrophobicContact CD1-CD2 4.34Å; Y410-F479 HydrophobicContact CD1-CG 4.15Å; Y410-F479 HydrophobicContact CE1-CB 4.01Å; Y410-F479 HydrophobicContact CE1-CD1 4.13Å; Y410-F479 AromaticContact CE1-CD2 3.44Å; Y410-F479 HydrophobicContact CE1-CD2 3.44Å; Y410-F479 VanDerWaalsContact CE1-CD2 3.44Å; Y410-F479 AromaticContact CE1-CE2 3.91Å; Y410-F479 HydrophobicContact CE1-CE2 3.91Å; Y410-F479 AromaticContact CE1-CG 3.58Å; Y410-F479 HydrophobicContact CE1-CG 3.58Å; Y410-F479 HydrophobicContact CE1-CZ 4.43Å; Y410-F479 AromaticContact CZ-CD2 3.94Å; Y410-F479 AromaticContact CZ-CE2 3.96Å; Y410-F479 WeakPolarHBondContact OH-CE2 3.25Å; Y410-F479 WeakPolarHBondContact OH-CZ 3.26Å
411R93.9Very high92.3Very high14 Ų1439 Ų395%0.05319%0.189CC..EExtended strand (participates in β ladder)trans-81.5139.9167.1-52.4-178.863.766.27.1107.8V579 N581 E597 E621R411-V579 HydrophobicContact CB-CB 4.09Å; R411-V579 HydrophobicContact CB-CG1 4.34Å; R411-V579 PolarHBondContact N-O 2.93Å; R411-V579 PolarHBondContact O-N 3.05Å; R411-N581 HydrophobicContact CG-CB 3.85Å; R411-E597 IonicContact CZ-OE1 3.68Å; R411-E597 VanDerWaalsContact CZ-OE1 3.25Å; R411-E597 IonicContact CZ-OE2 2.97Å; R411-E597 IonicContact NE-OE1 3.51Å; R411-E597 PolarHBondContact NE-OE1 3.01Å; R411-E597 IonicContact NE-OE2 3.56Å; R411-E597 VanDerWaalsContact NH2-CD 3.27Å; R411-E597 IonicContact NH2-OE1 2.73Å; R411-E597 PolarHBondContact NH2-OE1 2.99Å; R411-E597 IonicContact NH2-OE2 3.63Å; R411-E597 PolarHBondContact NH2-OE2 2.85Å; R411-E621 HydrophobicContact CB-CB 3.88Å; R411-E621 HydrophobicContact CB-CG 4.03Å; R411-E621 HydrophobicContact CG-CB 4.46Å; R411-E621 HydrophobicContact CG-CG 4.13Å
412I93.9Very high91.6Very high47 Ų4740.9 Ų40.924%0.24120%0.202CC..EExtended strand (participates in β ladder)trans-125.5108.6-168-61.3-174.3000110.3F409 Q414 T576 L578F409-I412 HydrophobicContact CE1-CD1 3.73Å; F409-I412 HydrophobicContact CE1-CG1 4.39Å; F409-I412 HydrophobicContact CZ-CD1 3.78Å; I412-Q414 HydrophobicContact CG2-CB 4.34Å; I412-T576 HydrophobicContact CG2-CG2 3.57Å; I412-L578 HydrophobicContact CG1-CD2 4.15Å
413E96.1Very high91.1Very high0 Ų043.4 Ų43.40%022%0.221CC..EExtended strand (participates in β ladder)trans-99.3106.9172.1-76.363.4-116.600108.4T576 F577 V579 W596 E597 Y600 A620 E621E413-T576 WeakPolarHBondContact O-CA 3.41Å; E413-F577 HydrophobicContact CB-CB 4.28Å; E413-F577 PolarHBondContact N-O 2.69Å; E413-F577 PolarHBondContact O-N 2.74Å; E413-V579 WeakPolarHBondContact OE2-CG2 3.44Å; E413-W596 HydrophobicContact CG-CZ3 4.22Å; E413-E597 HydrophobicContact CG-CG 4.21Å; E413-Y600 HydrophobicContact CB-CD1 4.48Å; E413-Y600 HydrophobicContact CB-CE1 3.91Å; E413-Y600 HydrophobicContact CB-CE2 4.3Å; E413-Y600 HydrophobicContact CG-CD1 4Å; E413-Y600 HydrophobicContact CG-CE1 3.78Å; E413-A620 HydrophobicContact CG-CB 3.87Å; E413-E621 PolarHBondContact OE1-N 3.45Å
414Q95.5Very high90.7Very high22 Ų2246.2 Ų46.210%0.10324%0.236CC..EExtended strand (participates in β ladder)trans-119.7139.5-174.6-176.616899.800112.3I412 V574 L575 T576 Y600 Y618 T619 Y1020I412-Q414 HydrophobicContact CG2-CB 4.34Å; Q414-V574 HydrophobicContact CG-CG1 3.86Å; Q414-L575 CarbonylContact C-O 3.58Å; Q414-L575 VanDerWaalsContact CA-O 3.31Å; Q414-L575 WeakPolarHBondContact CA-O 3.43Å; Q414-T576 HydrophobicContact CB-CG2 4.42Å; Q414-T576 PolarHBondContact NE2-OG1 2.79Å; Q414-Y600 PolarHBondContact O-OH 3.37Å; Q414-Y618 CarbonylContact O-C 3.59Å; Q414-Y618 WeakPolarHBondContact O-CA 3.43Å; Q414-T619 HydrophobicContact CB-CG2 4.14Å; Q414-T619 PolarHBondContact N-O 3.22Å; Q414-T619 PolarHBondContact O-N 3.15Å; Q414-Y1020 HydrophobicContact CB-CE2 4.46Å; Q414-Y1020 HydrophobicContact CG-CE2 4.44Å; Q414-Y1020 PolarHBondContact OE1-OH 2.81Å
415I96.4Very high90.4Very high0 Ų041.8 Ų41.80%022%0.215CC..EExtended strand (participates in β ladder)trans-125.6129.6172.2-47.5179.7000108.8L417 L454 I458 V574 L575 Y600 V604 V616 S617I415-L417 HydrophobicContact CG2-CD2 3.56Å; I415-L417 HydrophobicContact CG2-CG 3.83Å; I415-L454 HydrophobicContact CD1-CD2 4.09Å; I415-I458 HydrophobicContact CD1-CD1 3.6Å; I415-V574 WeakPolarHBondContact O-CA 3.47Å; I415-L575 HydrophobicContact CB-CB 4.43Å; I415-L575 PolarHBondContact N-O 3.03Å; I415-L575 PolarHBondContact O-N 2.93Å; I415-Y600 HydrophobicContact CD1-CE2 4.05Å; I415-Y600 HydrophobicContact CG1-CE2 4.32Å; I415-Y600 WeakPolarHBondContact CG1-OH 3.5Å; I415-V604 HydrophobicContact CD1-CG1 4.12Å; I415-V604 HydrophobicContact CD1-CG2 3.7Å; I415-V616 HydrophobicContact CG2-CG1 3.97Å; I415-S617 CarbonylContact C-O 3.51Å; I415-S617 WeakPolarHBondContact CA-O 3.27Å
416I95.4Very high89.8Confident2 Ų244.3 Ų44.31%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-106.3121.8169-56.1173.1000107.3V574 S617 Y1020 A1023 D1027I416-V574 HydrophobicContact CG1-CG2 4.46Å; I416-S617 PolarHBondContact N-O 3.19Å; I416-S617 PolarHBondContact O-N 3.42Å; I416-Y1020 HydrophobicContact CD1-CE2 4.32Å; I416-A1023 HydrophobicContact CB-CB 4.27Å; I416-A1023 HydrophobicContact CD1-CB 3.86Å; I416-A1023 HydrophobicContact CG2-CB 4.21Å; I416-D1027 HydrophobicContact CG2-CB 3.92Å
417L95Very high89Confident0 Ų043.4 Ų43.40%023%0.228CC..EExtended strand (participates in β ladder)trans-117.6134.5-178.4-61178.5000110.1I415 F447 V451 L454 A572 V573 L575 W607 I614 V616I415-L417 HydrophobicContact CG2-CD2 3.56Å; I415-L417 HydrophobicContact CG2-CG 3.83Å; L417-F447 HydrophobicContact CB-CE2 4.36Å; L417-F447 HydrophobicContact CB-CZ 3.78Å; L417-V451 HydrophobicContact CD1-CB 4.36Å; L417-V451 HydrophobicContact CD1-CG1 4.15Å; L417-V451 HydrophobicContact CD1-CG2 3.76Å; L417-L454 HydrophobicContact CD1-CD2 4.16Å; L417-L454 HydrophobicContact CD2-CD2 4.43Å; L417-A572 CarbonylContact O-C 3.47Å; L417-A572 WeakPolarHBondContact O-CA 3.36Å; L417-V573 PolarHBondContact N-O 2.8Å; L417-V573 PolarHBondContact O-N 3.22Å; L417-L575 HydrophobicContact CD1-CD1 3.48Å; L417-L575 VanDerWaalsContact CD1-CD1 3.48Å; L417-L575 HydrophobicContact CG-CD1 3.97Å; L417-W607 HydrophobicContact CD2-CZ3 4.46Å; L417-I614 HydrophobicContact CB-CG2 4.41Å; L417-I614 HydrophobicContact CD2-CG2 4.11Å; L417-V616 HydrophobicContact CD2-CB 4.08Å; L417-V616 HydrophobicContact CD2-CG1 3.79Å; L417-V616 HydrophobicContact CD2-CG2 3.78Å
418R92.8Very high87.9Confident92 Ų9249.3 Ų49.335%0.34725%0.245SC..EExtended strand (participates in β ladder)trans-144.4142.7168.763-171-176.784.8-3.4112A572 I615 D1027R418-A572 HydrophobicContact CB-CB 4.07Å; R418-I615 HydrophobicContact CG-CB 3.94Å; R418-I615 HydrophobicContact CG-CG2 4.33Å; R418-I615 PolarHBondContact N-O 3.41Å; R418-I615 VanDerWaalsContact N-O 3.12Å; R418-I615 PolarHBondContact O-N 2.96Å; R418-D1027 IonicContact NE-OD2 3.58Å
419P93.1Very high86.6Confident19 Ų1949.5 Ų49.512%0.12325%0.247CC..EExtended strand (participates in β ladder)trans-67.1149.1175.329.5-35000110.9A441 F447P419-A441 HydrophobicContact CG-CB 3.63Å; P419-F447 HydrophobicContact CB-CD2 4.18Å; P419-F447 HydrophobicContact CB-CE2 4.43Å
420K88.8Confident85Confident128 Ų12853.6 Ų53.656%0.55727%0.269SS*.SBendtrans-68.5-35.9171.6-78.5-177.8176.3175.30112.7N422 T612 E613 I615K420-N422 PolarHBondContact O-N 3.29Å; K420-T612 WeakPolarHBondContact CD-O 3.38Å; K420-T612 WeakPolarHBondContact CE-O 3.36Å; K420-T612 PolarHBondContact NZ-O 3.13Å; K420-E613 VanDerWaalsContact CB-O 3.3Å; K420-E613 WeakPolarHBondContact CB-O 3.47Å; K420-E613 VanDerWaalsContact CG-O 3.31Å; K420-E613 WeakPolarHBondContact CG-O 3.4Å; K420-E613 PolarHBondContact N-O 3.25Å; K420-I615 HydrophobicContact CG-CD1 3.94Å; K420-I615 HydrophobicContact CG-CG1 3.77Å
421N85Confident83.3Confident113 Ų11352.1 Ų52.160%0.60427%0.266SS*.  trans-84.9103.5171-179.826.2000109.3S423N421-S423 VanDerWaalsContact C-N 3.27Å; N421-S423 PolarHBondContact ND2-OG 3.2Å; N421-S423 PolarHBondContact O-N 3.34Å; N421-S423 WeakPolarHBondContact OD1-CB 3.43Å; N421-S423 PolarHBondContact OD1-N 3.35Å; N421-S423 PolarHBondContact OD1-OG 3.28Å
422N78.9Confident81.5Confident92 Ų9258.8 Ų58.849%0.49230%0.303SS..  trans-9342.6179.3-164.536.1000112.3K420 A571K420-N422 PolarHBondContact O-N 3.29Å; N422-A571 WeakPolarHBondContact OD1-CB 3.48Å
423S83.9Confident79.5Confident61 Ų6158.4 Ų58.443%0.42731%0.307SS..  trans-81.9115.3175.360.20000110.3N421N421-S423 VanDerWaalsContact C-N 3.27Å; N421-S423 PolarHBondContact ND2-OG 3.2Å; N421-S423 PolarHBondContact O-N 3.34Å; N421-S423 WeakPolarHBondContact OD1-CB 3.43Å; N421-S423 PolarHBondContact OD1-N 3.35Å; N421-S423 PolarHBondContact OD1-OG 3.28Å
424N82.8Confident77.4Confident77 Ų7759.2 Ų59.241%0.41231%0.313SS..  trans-62.9151169.7-67.25.6000110.7L438 F439N424-L438 HydrophobicContact CB-CD1 3.96Å; N424-L438 HydrophobicContact CB-CD2 4.12Å; N424-L438 HydrophobicContact CB-CG 3.92Å; N424-F439 CarbonylContact C-O 3.48Å; N424-F439 WeakPolarHBondContact CA-O 3.45Å; N424-F439 VanDerWaalsContact CB-O 3.28Å; N424-F439 WeakPolarHBondContact CB-O 3.37Å
425F85.6Confident75.6Confident47 Ų4759.7 Ų59.721%0.20632%0.324CS..EExtended strand (participates in β ladder)trans-127.7157.3179.264.1-84.7000110.4F439 G440 N444 L521F425-F439 HydrophobicContact CD1-CB 4.28Å; F425-F439 HydrophobicContact CD2-CB 4.17Å; F425-F439 HydrophobicContact CE1-CB 3.83Å; F425-F439 HydrophobicContact CE2-CB 3.72Å; F425-F439 HydrophobicContact CE2-CG 4.32Å; F425-F439 HydrophobicContact CG-CB 4.44Å; F425-F439 HydrophobicContact CZ-CB 3.54Å; F425-F439 HydrophobicContact CZ-CG 4.35Å; F425-F439 PolarHBondContact N-O 2.97Å; F425-F439 PolarHBondContact O-N 2.87Å; F425-G440 WeakPolarHBondContact CE1-O 3.5Å; F425-N444 HydrophobicContact CD1-CB 4.5Å; F425-N444 HydrophobicContact CE1-CB 3.88Å; F425-N444 HydrophobicContact CZ-CB 4.42Å; F425-L521 HydrophobicContact CE2-CD1 3.92Å; F425-L521 HydrophobicContact CZ-CD1 4.44Å
426T78.1Confident73.9Confident77 Ų7766.1 Ų66.147%0.47236%0.358SS..EExtended strand (participates in β ladder)trans-99.1135.6174.655.70000110.3A437 L438T426-A437 WeakPolarHBondContact CA-O 3.45Å; T426-L438 HydrophobicContact CG2-CD1 3.93Å
427H74.1Confident72.5Confident16 Ų1667 Ų677%0.07437%0.366CS..  trans-73.9156.1165.9-167.9-144.9000109.9A429 S434 A437 F439 D519 L521 D522H427-A429 WeakPolarHBondContact CE1-CB 3.49Å; H427-S434 PolarHBondContact ND1-OG 3.42Å; H427-A437 PolarHBondContact N-O 3.17Å; H427-A437 VanDerWaalsContact N-O 3.12Å; H427-F439 HydrophobicContact CB-CD2 3.78Å; H427-F439 HydrophobicContact CB-CE2 3.49Å; H427-F439 VanDerWaalsContact CB-CE2 3.49Å; H427-F439 HydrophobicContact CB-CZ 4.48Å; H427-D519 IonicContact CE1-OD1 3.52Å; H427-D519 IonicContact NE2-OD1 2.96Å; H427-D519 PolarHBondContact NE2-OD1 2.79Å; H427-D519 IonicContact NE2-OD2 3.6Å; H427-L521 HydrophobicContact CB-CD1 4.21Å; H427-D522 IonicContact CE1-OD1 2.78Å; H427-D522 IonicContact CE1-OD2 3.48Å
428K65.5Low71.7Confident154 Ų15470.9 Ų70.967%0.6739%0.386SS*.  trans-149.166.2179.4-71.4-164.5173.5-167.40110.4
429A60.7Low71.4Confident17 Ų1766.6 Ų66.614%0.1437%0.37CS..  trans-93.4158.6167.700000110.8H427 G431 P516 I517H427-A429 WeakPolarHBondContact CE1-CB 3.49Å; A429-G431 VanDerWaalsContact C-N 3.29Å; A429-P516 WeakPolarHBondContact CA-O 3.24Å; A429-I517 WeakPolarHBondContact CB-O 3.23Å
430L57.3Low71Confident105 Ų10565.7 Ų65.755%0.5536%0.364SS..SBendtrans-78.2-13.1169.3-95.571.5000113L515 P516L430-L515 HydrophobicContact CD1-CB 4.25Å; L430-L515 HydrophobicContact CD1-CD1 4.3Å; L430-L515 HydrophobicContact CD2-CD1 4.19Å; L430-P516 PolarHBondContact N-O 3.42Å
431G56.3Low71.1Confident11 Ų1159.8 Ų59.811%0.11334%0.34CS..SBendtrans-79133.1-179.700000114A429 A433 I517A429-G431 VanDerWaalsContact C-N 3.29Å; G431-A433 PolarHBondContact O-N 2.94Å; G431-I517 WeakPolarHBondContact CA-O 3.35Å; G431-I517 PolarHBondContact N-O 3.29Å; G431-I517 VanDerWaalsContact N-O 3.15Å
432D55.5Low71.4Confident154 Ų15454.4 Ų54.482%0.82431%0.311SS*.THydrogen-bonded Turntrans-58.1-16.3179-66.5-37.8000114.8S434D432-S434 VanDerWaalsContact C-N 3.34Å; D432-S434 PolarHBondContact O-N 3.39Å
433A52.9Low72Confident40 Ų4050 Ų5033%0.33129%0.287SS..THydrogen-bonded Turntrans-65.3-29.4-17000000114.7G431G431-A433 PolarHBondContact O-N 2.94Å
434S52.3Low72.3Confident16 Ų1650 Ų5011%0.11228%0.282CS..THydrogen-bonded Turntrans-126-28.7178.5570000114.4H427 D432 A437 D522H427-S434 PolarHBondContact ND1-OG 3.42Å; D432-S434 VanDerWaalsContact C-N 3.34Å; D432-S434 PolarHBondContact O-N 3.39Å; S434-A437 WeakPolarHBondContact O-CB 3.47Å; S434-D522 WeakPolarHBondContact CB-OD1 3.4Å; S434-D522 PolarHBondContact OG-OD1 3.27Å
435G56.5Low72.7Confident32 Ų3248.3 Ų48.333%0.3327%0.271SS..  trans57.9-158.9-17900000114.2A437G435-A437 PolarHBondContact O-N 2.97Å
436D60.8Low73Confident135 Ų13551.5 Ų51.572%0.72229%0.291SS*.SBendtrans-72.742.6173.7-83.7-44.4000112.4
437A66.9Low73.7Confident22 Ų2248.4 Ų48.418%0.18227%0.27CS..  trans-70.9147.1-179.300000113T426 H427 S434 G435 F439T426-A437 WeakPolarHBondContact CA-O 3.45Å; H427-A437 PolarHBondContact N-O 3.17Å; H427-A437 VanDerWaalsContact N-O 3.12Å; S434-A437 WeakPolarHBondContact O-CB 3.47Å; G435-A437 PolarHBondContact O-N 2.97Å; A437-F439 HydrophobicContact CB-CD2 4.37Å; A437-F439 HydrophobicContact CB-CE2 3.78Å; A437-F439 HydrophobicContact CB-CZ 4.5Å; A437-F439 WeakPolarHBondContact O-CD2 3.24Å
438L77.9Confident74.6Confident81 Ų8147.7 Ų47.742%0.42427%0.267SS..EExtended strand (participates in β ladder)trans-90.7115.5177.1-16978.2000110.5N424 T426 F566N424-L438 HydrophobicContact CB-CD1 3.96Å; N424-L438 HydrophobicContact CB-CD2 4.12Å; N424-L438 HydrophobicContact CB-CG 3.92Å; T426-L438 HydrophobicContact CG2-CD1 3.93Å; L438-F566 WeakPolarHBondContact O-CZ 3.47Å
439F85.5Confident76Confident1 Ų143.1 Ų43.10%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-99.5140.1179.3-73.8-97.5000112.1N424 F425 H427 A437 L443 L521 N568N424-F439 CarbonylContact C-O 3.48Å; N424-F439 WeakPolarHBondContact CA-O 3.45Å; N424-F439 VanDerWaalsContact CB-O 3.28Å; N424-F439 WeakPolarHBondContact CB-O 3.37Å; F425-F439 HydrophobicContact CD1-CB 4.28Å; F425-F439 HydrophobicContact CD2-CB 4.17Å; F425-F439 HydrophobicContact CE1-CB 3.83Å; F425-F439 HydrophobicContact CE2-CB 3.72Å; F425-F439 HydrophobicContact CE2-CG 4.32Å; F425-F439 HydrophobicContact CG-CB 4.44Å; F425-F439 HydrophobicContact CZ-CB 3.54Å; F425-F439 HydrophobicContact CZ-CG 4.35Å; F425-F439 PolarHBondContact N-O 2.97Å; F425-F439 PolarHBondContact O-N 2.87Å; H427-F439 HydrophobicContact CB-CD2 3.78Å; H427-F439 HydrophobicContact CB-CE2 3.49Å; H427-F439 VanDerWaalsContact CB-CE2 3.49Å; H427-F439 HydrophobicContact CB-CZ 4.48Å; A437-F439 HydrophobicContact CB-CD2 4.37Å; A437-F439 HydrophobicContact CB-CE2 3.78Å; A437-F439 HydrophobicContact CB-CZ 4.5Å; A437-F439 WeakPolarHBondContact O-CD2 3.24Å; F439-L443 HydrophobicContact CD1-CD1 3.84Å; F439-L443 HydrophobicContact CE1-CD1 4.47Å; F439-L521 HydrophobicContact CD1-CD2 3.87Å; F439-L521 HydrophobicContact CE1-CB 4.1Å; F439-L521 HydrophobicContact CE1-CD2 3.95Å; F439-L521 HydrophobicContact CE1-CG 4.42Å; F439-L521 HydrophobicContact CZ-CB 4.11Å; F439-N568 CarbonylContact C-O 3.06Å; F439-N568 WeakPolarHBondContact CA-O 3.4Å; F439-N568 HydrophobicContact CD1-CB 4.11Å; F439-N568 HydrophobicContact CE1-CB 4.07Å
440G86.6Confident77.6Confident0 Ų045.7 Ų45.70%026%0.258CS..  trans-74.1150.7176.100000112.2F425 G442 L443 N568 S570F425-G440 WeakPolarHBondContact CE1-O 3.5Å; G440-G442 PolarHBondContact O-N 2.91Å; G440-L443 PolarHBondContact O-N 3.02Å; G440-N568 PolarHBondContact N-O 3.34Å; G440-S570 CarbonylContact C-O 3.51Å; G440-S570 WeakPolarHBondContact CA-O 3.37Å
441A90.6Very high79.3Confident5 Ų540.7 Ų40.74%0.04123%0.232CC..G310 helixtrans-59.8-22.2-173.700000114.4P419 L443 N444P419-A441 HydrophobicContact CG-CB 3.63Å; A441-L443 PolarHBondContact O-N 3.29Å; A441-N444 WeakPolarHBondContact O-CB 3.43Å; A441-N444 PolarHBondContact O-N 3.2Å
442G89.8Confident81.1Confident0 Ų040.2 Ų40.20%023%0.227CC..G310 helixtrans-70.5-12.7175.900000114.5G440 F447 S570 V573G440-G442 PolarHBondContact O-N 2.91Å; G442-F447 VanDerWaalsContact O-CD1 3.27Å; G442-F447 WeakPolarHBondContact O-CD1 3.4Å; G442-F447 WeakPolarHBondContact O-CE1 3.26Å; G442-S570 WeakPolarHBondContact CA-O 3.36Å; G442-S570 PolarHBondContact N-O 3.4Å; G442-V573 VanDerWaalsContact O-CG2 3.27Å; G442-V573 WeakPolarHBondContact O-CG2 3.28Å
443L91.7Very high83Confident0 Ų036.2 Ų36.20%021%0.205CC..G310 helixtrans-100.85.2177.2-61.8178.7000113.5F439 G440 A441 Y520 L521 L524 L559 N568F439-L443 HydrophobicContact CD1-CD1 3.84Å; F439-L443 HydrophobicContact CE1-CD1 4.47Å; G440-L443 PolarHBondContact O-N 3.02Å; A441-L443 PolarHBondContact O-N 3.29Å; L443-Y520 WeakPolarHBondContact O-CE2 3.4Å; L443-Y520 PolarHBondContact O-OH 2.88Å; L443-L521 HydrophobicContact CB-CD2 4.36Å; L443-L524 HydrophobicContact CD1-CD2 4.29Å; L443-L524 HydrophobicContact CD2-CD1 3.94Å; L443-L524 HydrophobicContact CD2-CD2 3.98Å; L443-L559 HydrophobicContact CD2-CD2 3.72Å; L443-N568 WeakPolarHBondContact CD1-O 3.38Å
444N91.6Very high85Confident59 Ų5934.3 Ų34.332%0.31619%0.189SC..  trans-66.7132.8178.9-179.2-55.5000111.5F425 A441 D446 F447 L448F425-N444 HydrophobicContact CD1-CB 4.5Å; F425-N444 HydrophobicContact CE1-CB 3.88Å; F425-N444 HydrophobicContact CZ-CB 4.42Å; A441-N444 WeakPolarHBondContact O-CB 3.43Å; A441-N444 PolarHBondContact O-N 3.2Å; N444-D446 PolarHBondContact O-N 2.91Å; N444-D446 PolarHBondContact OD1-N 2.96Å; N444-F447 HydrophobicContact CB-CB 4.34Å; N444-F447 WeakPolarHBondContact O-CB 3.48Å; N444-F447 PolarHBondContact O-N 3.14Å; N444-L448 PolarHBondContact O-N 3.18Å
445K91Very high87Confident42 Ų4233.5 Ų33.518%0.18318%0.184CC..Hα-helixtrans-50.6-46.3-179.2-160.1168.3-176.2169.40114.2F447 L448 L449 F505 N506 Y520K445-F447 VanDerWaalsContact C-N 3.28Å; K445-F447 PolarHBondContact O-N 3Å; K445-L448 PolarHBondContact O-N 3.45Å; K445-L449 HydrophobicContact CG-CD1 4.4Å; K445-L449 WeakPolarHBondContact O-CG 3.36Å; K445-L449 PolarHBondContact O-N 3.32Å; K445-F505 HydrophobicContact CG-CE1 3.76Å; K445-F505 HydrophobicContact CG-CZ 3.97Å; K445-N506 WeakPolarHBondContact CE-OD1 3.48Å; K445-N506 PolarHBondContact NZ-OD1 3.45Å; K445-N506 VanDerWaalsContact NZ-OD1 3.16Å; K445-Y520 HydrophobicContact CB-CE1 3.95Å; K445-Y520 HydrophobicContact CB-CE2 4.28Å; K445-Y520 HydrophobicContact CD-CD1 4.05Å; K445-Y520 HydrophobicContact CD-CE1 3.83Å; K445-Y520 HydrophobicContact CG-CD1 4.47Å; K445-Y520 HydrophobicContact CG-CE1 4.09Å; K445-Y520 PolarHBondContact N-OH 3.32Å
446D91Very high88.8Confident115 Ų11534 Ų3462%0.61518%0.179SC*.Hα-helixtrans-66.8-32.2-178.2-67.2-23.9000112N444 K450N444-D446 PolarHBondContact O-N 2.91Å; N444-D446 PolarHBondContact OD1-N 2.96Å; D446-K450 WeakPolarHBondContact O-CG 3.26Å
447F93.4Very high90.4Very high11 Ų1131.1 Ų31.15%0.04816%0.161CC..Hα-helixtrans-71.9-48.9173173.3-100.4000110.6L417 P419 G442 N444 K445 L449 K450 V451 V573 I614L417-F447 HydrophobicContact CB-CE2 4.36Å; L417-F447 HydrophobicContact CB-CZ 3.78Å; P419-F447 HydrophobicContact CB-CD2 4.18Å; P419-F447 HydrophobicContact CB-CE2 4.43Å; G442-F447 VanDerWaalsContact O-CD1 3.27Å; G442-F447 WeakPolarHBondContact O-CD1 3.4Å; G442-F447 WeakPolarHBondContact O-CE1 3.26Å; N444-F447 HydrophobicContact CB-CB 4.34Å; N444-F447 WeakPolarHBondContact O-CB 3.48Å; N444-F447 PolarHBondContact O-N 3.14Å; K445-F447 VanDerWaalsContact C-N 3.28Å; K445-F447 PolarHBondContact O-N 3Å; F447-L449 VanDerWaalsContact C-N 3.3Å; F447-L449 PolarHBondContact O-N 2.93Å; F447-K450 WeakPolarHBondContact O-CA 3.47Å; F447-K450 WeakPolarHBondContact O-CB 3.28Å; F447-K450 PolarHBondContact O-N 3.09Å; F447-V451 HydrophobicContact CD1-CG2 4.13Å; F447-V451 HydrophobicContact CE1-CG2 3.82Å; F447-V451 HydrophobicContact CZ-CG2 4.05Å; F447-V451 WeakPolarHBondContact O-CG2 3.49Å; F447-V451 PolarHBondContact O-N 2.74Å; F447-V573 HydrophobicContact CE1-CB 4.12Å; F447-V573 HydrophobicContact CE1-CG2 3.84Å; F447-I614 HydrophobicContact CD2-CD1 3.92Å; F447-I614 HydrophobicContact CD2-CG1 4.06Å; F447-I614 HydrophobicContact CE2-CD1 3.97Å; F447-I614 HydrophobicContact CE2-CG1 3.99Å; F447-I614 HydrophobicContact CE2-CG2 4.02Å
448L93.6Very high91.8Very high1 Ų130.1 Ų30.11%0.00515%0.153CC..Hα-helixtrans-61.7-33.2179.1-70.1178000113.2N444 K445 V451 A452 I495 F505 Y520 L524 V573N444-L448 PolarHBondContact O-N 3.18Å; K445-L448 PolarHBondContact O-N 3.45Å; L448-V451 WeakPolarHBondContact O-CB 3.38Å; L448-V451 PolarHBondContact O-N 2.9Å; L448-A452 PolarHBondContact O-N 2.99Å; L448-I495 HydrophobicContact CB-CD1 4.1Å; L448-I495 HydrophobicContact CD2-CD1 4.23Å; L448-F505 HydrophobicContact CB-CE2 4.23Å; L448-F505 HydrophobicContact CB-CZ 3.71Å; L448-F505 HydrophobicContact CD1-CE2 3.99Å; L448-F505 HydrophobicContact CD1-CZ 4.03Å; L448-Y520 HydrophobicContact CD1-CD2 4.32Å; L448-Y520 HydrophobicContact CD1-CE2 3.96Å; L448-L524 HydrophobicContact CD1-CD1 4.47Å; L448-V573 HydrophobicContact CD2-CG2 4.13Å
449L94.3Very high92.5Very high59 Ų5928.8 Ų28.831%0.30915%0.145SC..Hα-helixtrans-63.5-39.8171.6-71.7171.7000112.2K445 F447 V451 A452 D453 L502 F505K445-L449 HydrophobicContact CG-CD1 4.4Å; K445-L449 WeakPolarHBondContact O-CG 3.36Å; K445-L449 PolarHBondContact O-N 3.32Å; F447-L449 VanDerWaalsContact C-N 3.3Å; F447-L449 PolarHBondContact O-N 2.93Å; L449-V451 VanDerWaalsContact C-N 3.34Å; L449-A452 PolarHBondContact O-N 3.23Å; L449-D453 PolarHBondContact O-N 3.14Å; L449-L502 HydrophobicContact CD2-CD2 4.02Å; L449-F505 HydrophobicContact CD2-CD1 3.86Å; L449-F505 HydrophobicContact CD2-CE1 3.71Å; L449-F505 HydrophobicContact CG-CE1 3.95Å
450K93.1Very high92.9Very high70 Ų7034 Ų3430%0.30417%0.172SC..Hα-helixtrans-67.5-33.9172.4-65.2179.8-173.8-165.70112D446 F447 L454 W607 E613 I614D446-K450 WeakPolarHBondContact O-CG 3.26Å; F447-K450 WeakPolarHBondContact O-CA 3.47Å; F447-K450 WeakPolarHBondContact O-CB 3.28Å; F447-K450 PolarHBondContact O-N 3.09Å; K450-L454 PolarHBondContact O-N 3.08Å; K450-W607 HydrophobicContact CB-CZ2 4.31Å; K450-W607 WeakPolarHBondContact O-CZ2 3.48Å; K450-E613 IonicContact NZ-OE2 3.18Å; K450-E613 PolarHBondContact NZ-OE2 2.66Å; K450-I614 HydrophobicContact CB-CD1 4.08Å; K450-I614 HydrophobicContact CD-CD1 3.96Å
451V94.1Very high93.3Very high0 Ų034.3 Ų34.30%017%0.174CC..Hα-helixtrans-63.3-45.2172.2178.50000111.2L417 F447 L448 L449 L454 Q455 I495 V573 L575L417-V451 HydrophobicContact CD1-CB 4.36Å; L417-V451 HydrophobicContact CD1-CG1 4.15Å; L417-V451 HydrophobicContact CD1-CG2 3.76Å; F447-V451 HydrophobicContact CD1-CG2 4.13Å; F447-V451 HydrophobicContact CE1-CG2 3.82Å; F447-V451 HydrophobicContact CZ-CG2 4.05Å; F447-V451 WeakPolarHBondContact O-CG2 3.49Å; F447-V451 PolarHBondContact O-N 2.74Å; L448-V451 WeakPolarHBondContact O-CB 3.38Å; L448-V451 PolarHBondContact O-N 2.9Å; L449-V451 VanDerWaalsContact C-N 3.34Å; V451-L454 PolarHBondContact O-N 3.46Å; V451-Q455 PolarHBondContact O-N 3.33Å; V451-I495 HydrophobicContact CG1-CG1 4.15Å; V451-V573 HydrophobicContact CG1-CG1 4.23Å; V451-L575 HydrophobicContact CG1-CD1 3.78Å; V451-L575 HydrophobicContact CG1-CD2 3.84Å; V451-L575 HydrophobicContact CG1-CG 4.14Å
452A94.5Very high93.5Very high1 Ų140.5 Ų40.51%0.00820%0.2CC..Hα-helixtrans-66.9-37.1179.500000112.7L448 L449 Q455 N456 I495 L502L448-A452 PolarHBondContact O-N 2.99Å; L449-A452 PolarHBondContact O-N 3.23Å; A452-Q455 PolarHBondContact O-N 3.12Å; A452-N456 WeakPolarHBondContact O-CB 3.2Å; A452-N456 PolarHBondContact O-N 2.97Å; A452-N456 PolarHBondContact O-ND2 3.23Å; A452-I495 HydrophobicContact CB-CD1 4.21Å; A452-I495 HydrophobicContact CB-CG1 4.14Å; A452-I495 HydrophobicContact CB-CG2 3.88Å; A452-L502 HydrophobicContact CB-CD2 3.75Å
453D94.3Very high93.6Very high70 Ų7041.6 Ų41.637%0.37421%0.206SC..Hα-helixtrans-56.6-54170.1168.258.9000111.3L449 Q455 N456 Q457 W607L449-D453 PolarHBondContact O-N 3.14Å; D453-Q455 VanDerWaalsContact C-N 3.34Å; D453-Q455 PolarHBondContact O-N 3.36Å; D453-N456 PolarHBondContact O-N 3.03Å; D453-N456 VanDerWaalsContact O-N 3.16Å; D453-Q457 WeakPolarHBondContact O-CG 3.44Å; D453-Q457 PolarHBondContact O-N 3.09Å; D453-Q457 PolarHBondContact OD1-NE2 3.19Å; D453-Q457 PolarHBondContact OD2-NE2 3Å; D453-W607 PolarHBondContact OD2-NE1 3.46Å
454L94.8Very high93.7Very high0 Ų046 Ų460%022%0.224CC..Hα-helixtrans-58.4-44177.8178.557.9000112.3I415 L417 K450 V451 N456 Q457 I458 L603 W607I415-L454 HydrophobicContact CD1-CD2 4.09Å; L417-L454 HydrophobicContact CD1-CD2 4.16Å; L417-L454 HydrophobicContact CD2-CD2 4.43Å; K450-L454 PolarHBondContact O-N 3.08Å; V451-L454 PolarHBondContact O-N 3.46Å; L454-N456 VanDerWaalsContact C-N 3.34Å; L454-N456 PolarHBondContact O-N 2.92Å; L454-Q457 PolarHBondContact O-N 3.19Å; L454-I458 HydrophobicContact CD1-CD1 3.8Å; L454-I458 HydrophobicContact CD1-CG1 4.14Å; L454-I458 HydrophobicContact CG-CD1 3.85Å; L454-I458 VanDerWaalsContact O-CG1 3.32Å; L454-I458 WeakPolarHBondContact O-CG1 3.42Å; L454-I458 PolarHBondContact O-N 3.32Å; L454-L603 HydrophobicContact CD1-CD2 4.02Å; L454-W607 HydrophobicContact CB-CD2 4.32Å; L454-W607 HydrophobicContact CB-CH2 4.43Å; L454-W607 HydrophobicContact CB-CZ2 3.86Å; L454-W607 HydrophobicContact CD1-CB 4.16Å; L454-W607 HydrophobicContact CD1-CD2 3.9Å; L454-W607 HydrophobicContact CD1-CE3 4.45Å; L454-W607 HydrophobicContact CD1-CG 3.77Å; L454-W607 HydrophobicContact CD2-CD2 4.08Å; L454-W607 HydrophobicContact CD2-CE3 3.91Å; L454-W607 HydrophobicContact CD2-CH2 4.16Å; L454-W607 HydrophobicContact CD2-CZ2 4.34Å; L454-W607 HydrophobicContact CD2-CZ3 3.95Å; L454-W607 HydrophobicContact CG-CD2 4.32Å
455Q95.5Very high93.6Very high0 Ų043.5 Ų43.50%021%0.21CC..Hα-helixtrans-57.7-46.6176.5179167.3-73.800111.3V451 A452 D453 I458 Q459 S493 E496 N500 L575 F577V451-Q455 PolarHBondContact O-N 3.33Å; A452-Q455 PolarHBondContact O-N 3.12Å; D453-Q455 VanDerWaalsContact C-N 3.34Å; D453-Q455 PolarHBondContact O-N 3.36Å; Q455-I458 PolarHBondContact O-N 3Å; Q455-Q459 WeakPolarHBondContact O-CG 3.2Å; Q455-Q459 PolarHBondContact O-N 3.1Å; Q455-S493 PolarHBondContact OE1-OG 3.05Å; Q455-E496 PolarHBondContact NE2-OE1 3.01Å; Q455-N500 PolarHBondContact NE2-OD1 3.47Å; Q455-L575 HydrophobicContact CB-CD2 4.05Å; Q455-F577 HydrophobicContact CG-CZ 4.39Å
456N94.5Very high93.5Very high42 Ų4248.7 Ų48.723%0.22524%0.235CC..Hα-helixtrans-69.5-33.9179.8-77.3-64.3000112.9A452 D453 L454 N460 N500A452-N456 WeakPolarHBondContact O-CB 3.2Å; A452-N456 PolarHBondContact O-N 2.97Å; A452-N456 PolarHBondContact O-ND2 3.23Å; D453-N456 PolarHBondContact O-N 3.03Å; D453-N456 VanDerWaalsContact O-N 3.16Å; L454-N456 VanDerWaalsContact C-N 3.34Å; L454-N456 PolarHBondContact O-N 2.92Å; N456-N460 WeakPolarHBondContact O-CB 3.44Å; N456-N460 PolarHBondContact O-N 3.04Å; N456-N460 PolarHBondContact O-ND2 3.41Å; N456-N500 PolarHBondContact ND2-OD1 3.4Å; N456-N500 PolarHBondContact OD1-ND2 3.01Å
457Q94.5Very high93.2Very high75 Ų7550.1 Ų50.135%0.3524%0.236SC..Hα-helixtrans-64.3-41.3172-70.3-178.729.700111.8D453 L454 N460 L603D453-Q457 WeakPolarHBondContact O-CG 3.44Å; D453-Q457 PolarHBondContact O-N 3.09Å; D453-Q457 PolarHBondContact OD1-NE2 3.19Å; D453-Q457 PolarHBondContact OD2-NE2 3Å; L454-Q457 PolarHBondContact O-N 3.19Å; Q457-N460 PolarHBondContact O-N 3.22Å; Q457-L603 HydrophobicContact CB-CD1 4.37Å; Q457-L603 HydrophobicContact CB-CD2 4.24Å
458I95.2Very high92.8Very high0 Ų053.6 Ų53.60%025%0.252CS..Hα-helixtrans-67.1-45.3177.8-67162.8000111.6I415 L454 Q455 N460 I461 F577 W596 Y600 L603 V604I415-I458 HydrophobicContact CD1-CD1 3.6Å; L454-I458 HydrophobicContact CD1-CD1 3.8Å; L454-I458 HydrophobicContact CD1-CG1 4.14Å; L454-I458 HydrophobicContact CG-CD1 3.85Å; L454-I458 VanDerWaalsContact O-CG1 3.32Å; L454-I458 WeakPolarHBondContact O-CG1 3.42Å; L454-I458 PolarHBondContact O-N 3.32Å; Q455-I458 PolarHBondContact O-N 3Å; I458-N460 PolarHBondContact O-N 3.22Å; I458-I461 HydrophobicContact CB-CD1 4.46Å; I458-I461 HydrophobicContact CG2-CD1 4.27Å; I458-I461 WeakPolarHBondContact O-CB 3.01Å; I458-I461 VanDerWaalsContact O-CG1 3.3Å; I458-I461 WeakPolarHBondContact O-CG1 3.4Å; I458-I461 PolarHBondContact O-N 3.4Å; I458-I461 VanDerWaalsContact O-N 3.14Å; I458-F577 HydrophobicContact CB-CE1 4.26Å; I458-F577 HydrophobicContact CB-CE2 4.49Å; I458-F577 HydrophobicContact CB-CZ 3.87Å; I458-F577 HydrophobicContact CD1-CE2 3.91Å; I458-F577 HydrophobicContact CD1-CZ 3.93Å; I458-F577 HydrophobicContact CG2-CD1 4.22Å; I458-F577 HydrophobicContact CG2-CD2 4.42Å; I458-F577 HydrophobicContact CG2-CE1 3.67Å; I458-F577 HydrophobicContact CG2-CE2 3.92Å; I458-F577 HydrophobicContact CG2-CZ 3.52Å; I458-W596 HydrophobicContact CG2-CH2 3.83Å; I458-W596 HydrophobicContact CG2-CZ2 3.94Å; I458-Y600 HydrophobicContact CD1-CD2 4.31Å; I458-Y600 HydrophobicContact CD1-CE2 4.12Å; I458-Y600 HydrophobicContact CG1-CD2 4.29Å; I458-Y600 HydrophobicContact CG2-CD2 3.93Å; I458-Y600 HydrophobicContact CG2-CE2 4.43Å; I458-L603 HydrophobicContact CG1-CD2 4.05Å; I458-V604 HydrophobicContact CD1-CG2 4.1Å; I458-V604 HydrophobicContact CG1-CG2 4.49Å
459Q93.6Very high92.5Very high54 Ų5459.8 Ų59.825%0.25228%0.281SS..Hα-helixtrans-59.4-32.4177.8-71.4-176.426.100112.5Q455 I461 L474 I491 N500 F577Q455-Q459 WeakPolarHBondContact O-CG 3.2Å; Q455-Q459 PolarHBondContact O-N 3.1Å; Q459-I461 VanDerWaalsContact C-N 3.35Å; Q459-I461 PolarHBondContact O-N 3.3Å; Q459-L474 HydrophobicContact CG-CD2 4.24Å; Q459-I491 HydrophobicContact CG-CD1 3.88Å; Q459-I491 VanDerWaalsContact NE2-CD1 3.33Å; Q459-N500 PolarHBondContact NE2-ND2 3.19Å; Q459-F577 HydrophobicContact CG-CE1 4.29Å
460N94.2Very high92.3Very high109 Ų10959.8 Ų59.858%0.58328%0.284SS*.THydrogen-bonded Turntrans-85.14.7-179.7-79.1-75.1000114.9N456 Q457 I458 K462N456-N460 WeakPolarHBondContact O-CB 3.44Å; N456-N460 PolarHBondContact O-N 3.04Å; N456-N460 PolarHBondContact O-ND2 3.41Å; Q457-N460 PolarHBondContact O-N 3.22Å; I458-N460 PolarHBondContact O-N 3.22Å; N460-K462 WeakPolarHBondContact O-CG 2.94Å; N460-K462 PolarHBondContact O-N 3.32Å
461I94.8Very high92.2Very high8 Ų862.5 Ų62.54%0.04130%0.296CS..  trans-60.9125.7175.7-68.6170.5000110.6I458 Q459 V463 W596 K599 L603I458-I461 HydrophobicContact CB-CD1 4.46Å; I458-I461 HydrophobicContact CG2-CD1 4.27Å; I458-I461 WeakPolarHBondContact O-CB 3.01Å; I458-I461 VanDerWaalsContact O-CG1 3.3Å; I458-I461 WeakPolarHBondContact O-CG1 3.4Å; I458-I461 PolarHBondContact O-N 3.4Å; I458-I461 VanDerWaalsContact O-N 3.14Å; Q459-I461 VanDerWaalsContact C-N 3.35Å; Q459-I461 PolarHBondContact O-N 3.3Å; I461-V463 HydrophobicContact CG2-CG2 3.83Å; I461-W596 HydrophobicContact CB-CZ2 4.38Å; I461-W596 HydrophobicContact CD1-CZ2 4.09Å; I461-K599 HydrophobicContact CG2-CB 4.1Å; I461-K599 HydrophobicContact CG2-CG 3.8Å; I461-L603 HydrophobicContact CD1-CB 4.43Å; I461-L603 HydrophobicContact CD1-CD1 4.05Å; I461-L603 HydrophobicContact CG1-CD1 3.82Å
462K93.3Very high92.1Very high135 Ų13562.7 Ų62.759%0.58730%0.297SS*.EExtended strand (participates in β ladder)trans-120.2132.2172.2-49.1-171-179.6171.40109.5N460 I472 N473N460-K462 WeakPolarHBondContact O-CG 2.94Å; N460-K462 PolarHBondContact O-N 3.32Å; K462-I472 WeakPolarHBondContact CA-O 3.36Å; K462-N473 WeakPolarHBondContact CG-OD1 3.14Å
463V93Very high92Very high22 Ų2265 Ų6513%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-130.9137.3178.4-163.60000110.1I461 F471 I472 L595 K599I461-V463 HydrophobicContact CG2-CG2 3.83Å; V463-F471 CarbonylContact O-C 3.32Å; V463-F471 WeakPolarHBondContact O-CA 3.28Å; V463-I472 PolarHBondContact N-O 3.11Å; V463-I472 PolarHBondContact O-N 3.21Å; V463-L595 HydrophobicContact CG1-CD1 3.9Å; V463-L595 HydrophobicContact CG1-CD2 4.2Å; V463-L595 HydrophobicContact CG1-CG 3.72Å; V463-K599 HydrophobicContact CG2-CB 3.63Å; V463-K599 HydrophobicContact CG2-CG 4.03Å
464Y92.6Very high91.9Very high94 Ų9461.9 Ų61.937%0.36929%0.292SS..EExtended strand (participates in β ladder)trans-83133.2179.8-172.2-106000111.2E466 Q469 F471Y464-E466 HydrophobicContact CD1-CG 4.24Å; Y464-E466 HydrophobicContact CE1-CG 4.28Å; Y464-Q469 WeakPolarHBondContact OH-CA 3.34Å; Y464-Q469 PolarHBondContact OH-NE2 3.41Å; Y464-Q469 PolarHBondContact OH-OE1 3.33Å; Y464-Q469 VanDerWaalsContact OH-OE1 3.07Å; Y464-F471 HydrophobicContact CD2-CD1 4.17Å; Y464-F471 HydrophobicContact CD2-CD2 4.16Å; Y464-F471 AromaticContact CD2-CE1 3.88Å; Y464-F471 HydrophobicContact CD2-CE1 3.88Å; Y464-F471 AromaticContact CD2-CE2 3.86Å; Y464-F471 HydrophobicContact CD2-CE2 3.86Å; Y464-F471 HydrophobicContact CD2-CG 4.31Å; Y464-F471 AromaticContact CD2-CZ 3.72Å; Y464-F471 HydrophobicContact CD2-CZ 3.72Å; Y464-F471 HydrophobicContact CE2-CE2 4.29Å; Y464-F471 HydrophobicContact CE2-CZ 4.46Å; Y464-F471 HydrophobicContact CG-CE1 4.36Å
465F90.7Very high91.7Very high5 Ų564.4 Ų64.42%0.02231%0.31CS..EExtended strand (participates in β ladder)trans-114.7102.1-178.2-173.8-127.8000111.3K467 E468 Q469 T470 I472 I588 E591 K592 L595F465-K467 VanDerWaalsContact C-N 3.3Å; F465-K467 HydrophobicContact CD1-CB 4.45Å; F465-K467 HydrophobicContact CE1-CB 3.88Å; F465-K467 HydrophobicContact CE2-CB 4.29Å; F465-K467 HydrophobicContact CE2-CD 4.33Å; F465-K467 HydrophobicContact CZ-CB 3.8Å; F465-K467 HydrophobicContact CZ-CD 3.99Å; F465-K467 HydrophobicContact CZ-CG 4.3Å; F465-K467 PolarHBondContact O-N 3.48Å; F465-E468 HydrophobicContact CD1-CB 3.96Å; F465-E468 HydrophobicContact CD1-CG 3.99Å; F465-E468 HydrophobicContact CE1-CB 4.39Å; F465-E468 HydrophobicContact CE1-CG 3.93Å; F465-E468 PolarHBondContact O-N 3.39Å; F465-Q469 WeakPolarHBondContact O-CA 3.19Å; F465-Q469 PolarHBondContact O-N 3.25Å; F465-T470 PolarHBondContact N-O 3.18Å; F465-T470 PolarHBondContact O-N 2.97Å; F465-I472 HydrophobicContact CB-CD1 3.8Å; F465-I472 HydrophobicContact CB-CG1 3.94Å; F465-I472 HydrophobicContact CD2-CD1 4.37Å; F465-I472 HydrophobicContact CG-CD1 4.14Å; F465-I588 HydrophobicContact CE1-CG2 3.93Å; F465-I588 HydrophobicContact CZ-CG2 4.11Å; F465-E591 HydrophobicContact CE2-CG 3.99Å; F465-E591 HydrophobicContact CZ-CG 4.36Å; F465-K592 HydrophobicContact CD1-CD 4.41Å; F465-K592 HydrophobicContact CD1-CG 3.99Å; F465-K592 HydrophobicContact CD2-CG 4.47Å; F465-K592 HydrophobicContact CE1-CD 4.3Å; F465-K592 VanDerWaalsContact CE1-CE 3.42Å; F465-K592 HydrophobicContact CE1-CG 3.87Å; F465-K592 HydrophobicContact CE2-CG 4.36Å; F465-K592 HydrophobicContact CG-CG 4.29Å; F465-K592 HydrophobicContact CZ-CG 4.05Å; F465-L595 HydrophobicContact CB-CD2 4.38Å; F465-L595 HydrophobicContact CD2-CD2 3.71Å
466E88.4Confident91.5Very high151 Ų15168.6 Ų68.671%0.70633%0.332SS*.THydrogen-bonded Turntrans-58.3-36.5-170.7-59.9-179.2165.600113.7Y464 E468 Q469Y464-E466 HydrophobicContact CD1-CG 4.24Å; Y464-E466 HydrophobicContact CE1-CG 4.28Å; E466-E468 VanDerWaalsContact C-N 3.27Å; E466-E468 PolarHBondContact O-N 3.25Å; E466-Q469 PolarHBondContact O-N 3.48Å; E466-Q469 PolarHBondContact O-NE2 3.2Å
467K84.7Confident91.4Very high146 Ų14666.7 Ų66.764%0.63532%0.322SS*.THydrogen-bonded Turntrans-65.8-24.7-176.8-70.9-179.1175.3174.20114.6F465 E591F465-K467 VanDerWaalsContact C-N 3.3Å; F465-K467 HydrophobicContact CD1-CB 4.45Å; F465-K467 HydrophobicContact CE1-CB 3.88Å; F465-K467 HydrophobicContact CE2-CB 4.29Å; F465-K467 HydrophobicContact CE2-CD 4.33Å; F465-K467 HydrophobicContact CZ-CB 3.8Å; F465-K467 HydrophobicContact CZ-CD 3.99Å; F465-K467 HydrophobicContact CZ-CG 4.3Å; F465-K467 PolarHBondContact O-N 3.48Å; K467-E591 WeakPolarHBondContact CD-OE2 3.27Å; K467-E591 VanDerWaalsContact CE-OE1 3.26Å; K467-E591 WeakPolarHBondContact CE-OE1 3.39Å; K467-E591 IonicContact NZ-OE1 2.71Å; K467-E591 PolarHBondContact NZ-OE1 3.16Å; K467-E591 IonicContact NZ-OE2 3.54Å; K467-E591 PolarHBondContact NZ-OE2 2.91Å
468E86.1Confident91.4Very high84 Ų8463.2 Ų63.239%0.39331%0.306SS..THydrogen-bonded Turntrans-116.3-5.8175.4-69.6176.5-166.800113F465 E466 T470 K592F465-E468 HydrophobicContact CD1-CB 3.96Å; F465-E468 HydrophobicContact CD1-CG 3.99Å; F465-E468 HydrophobicContact CE1-CB 4.39Å; F465-E468 HydrophobicContact CE1-CG 3.93Å; F465-E468 PolarHBondContact O-N 3.39Å; E466-E468 VanDerWaalsContact C-N 3.27Å; E466-E468 PolarHBondContact O-N 3.25Å; E468-T470 HydrophobicContact CB-CG2 4.12Å; E468-T470 WeakPolarHBondContact CB-OG1 3.33Å; E468-T470 PolarHBondContact O-N 2.56Å; E468-T470 PolarHBondContact OE2-OG1 2.97Å; E468-K592 VanDerWaalsContact CD-CE 3.47Å; E468-K592 WeakPolarHBondContact OE1-CE 3.49Å; E468-K592 IonicContact OE1-NZ 2.61Å; E468-K592 PolarHBondContact OE1-NZ 2.76Å; E468-K592 VanDerWaalsContact OE2-CE 3.28Å; E468-K592 WeakPolarHBondContact OE2-CE 3.5Å; E468-K592 IonicContact OE2-NZ 2.67Å; E468-K592 PolarHBondContact OE2-NZ 2.76Å
469Q85.5Confident91.3Very high130 Ų13064.2 Ų64.261%0.60731%0.31SS*.THydrogen-bonded Turntrans58.925.8-172.2-54.1-78.2-75.300113.5Y464 F465 E466Y464-Q469 WeakPolarHBondContact OH-CA 3.34Å; Y464-Q469 PolarHBondContact OH-NE2 3.41Å; Y464-Q469 PolarHBondContact OH-OE1 3.33Å; Y464-Q469 VanDerWaalsContact OH-OE1 3.07Å; F465-Q469 WeakPolarHBondContact O-CA 3.19Å; F465-Q469 PolarHBondContact O-N 3.25Å; E466-Q469 PolarHBondContact O-N 3.48Å; E466-Q469 PolarHBondContact O-NE2 3.2Å
470T90.5Very high91.2Very high60 Ų6062.7 Ų62.737%0.36830%0.303SS..EExtended strand (participates in β ladder)trans-109.2159.5-175.954.60000112.8F465 E468F465-T470 PolarHBondContact N-O 3.18Å; F465-T470 PolarHBondContact O-N 2.97Å; E468-T470 HydrophobicContact CB-CG2 4.12Å; E468-T470 WeakPolarHBondContact CB-OG1 3.33Å; E468-T470 PolarHBondContact O-N 2.56Å; E468-T470 PolarHBondContact OE2-OG1 2.97Å
471F91.7Very high91Very high127 Ų12757.9 Ų57.956%0.55728%0.278SS*.EExtended strand (participates in β ladder)trans-92.3127.7167.9-73.9-85.4000110.9V463 Y464 N476V463-F471 CarbonylContact O-C 3.32Å; V463-F471 WeakPolarHBondContact O-CA 3.28Å; Y464-F471 HydrophobicContact CD2-CD1 4.17Å; Y464-F471 HydrophobicContact CD2-CD2 4.16Å; Y464-F471 AromaticContact CD2-CE1 3.88Å; Y464-F471 HydrophobicContact CD2-CE1 3.88Å; Y464-F471 AromaticContact CD2-CE2 3.86Å; Y464-F471 HydrophobicContact CD2-CE2 3.86Å; Y464-F471 HydrophobicContact CD2-CG 4.31Å; Y464-F471 AromaticContact CD2-CZ 3.72Å; Y464-F471 HydrophobicContact CD2-CZ 3.72Å; Y464-F471 HydrophobicContact CE2-CE2 4.29Å; Y464-F471 HydrophobicContact CE2-CZ 4.46Å; Y464-F471 HydrophobicContact CG-CE1 4.36Å; F471-N476 PolarHBondContact O-ND2 2.98Å
472I91.5Very high90.7Very high4 Ų458.1 Ų58.12%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-86.6124.4169.8-51163000108.3K462 V463 F465 I477 K592 L595K462-I472 WeakPolarHBondContact CA-O 3.36Å; V463-I472 PolarHBondContact N-O 3.11Å; V463-I472 PolarHBondContact O-N 3.21Å; F465-I472 HydrophobicContact CB-CD1 3.8Å; F465-I472 HydrophobicContact CB-CG1 3.94Å; F465-I472 HydrophobicContact CD2-CD1 4.37Å; F465-I472 HydrophobicContact CG-CD1 4.14Å; I472-I477 HydrophobicContact CG2-CG2 4.02Å; I472-K592 HydrophobicContact CD1-CB 3.75Å; I472-K592 HydrophobicContact CD1-CG 3.77Å; I472-K592 HydrophobicContact CG1-CB 4.39Å; I472-K592 HydrophobicContact CG1-CG 4.22Å; I472-L595 HydrophobicContact CD1-CB 4.48Å; I472-L595 HydrophobicContact CD1-CD2 3.99Å; I472-L595 HydrophobicContact CD1-CG 4.43Å
473N92Very high90.4Very high50 Ų5057.5 Ų57.527%0.26728%0.277SS..EExtended strand (participates in β ladder)trans-108.6164.3163-54.1-19000108.8K462 S475 N476K462-N473 WeakPolarHBondContact CG-OD1 3.14Å; N473-S475 PolarHBondContact O-N 2.93Å; N473-N476 PolarHBondContact N-ND2 3.31Å; N473-N476 WeakPolarHBondContact O-CB 3.35Å; N473-N476 PolarHBondContact O-N 2.9Å
474L92.8Very high90.2Very high4 Ų461.3 Ų61.32%0.02130%0.302CS..G310 helixtrans-52.4-38.8174.6178.259.8000112.5Q459 N476 I477 C478 F577 V579 W596Q459-L474 HydrophobicContact CG-CD2 4.24Å; L474-N476 PolarHBondContact O-N 3.1Å; L474-I477 HydrophobicContact CD1-CG1 4.39Å; L474-I477 WeakPolarHBondContact O-CG1 3.36Å; L474-I477 PolarHBondContact O-N 3.38Å; L474-I477 VanDerWaalsContact O-N 3.07Å; L474-C478 HydrophobicContact CD1-CB 3.83Å; L474-C478 HydrophobicContact CG-CB 4.05Å; L474-C478 VanDerWaalsContact O-CB 3.3Å; L474-C478 WeakPolarHBondContact O-CB 3.44Å; L474-C478 PolarHBondContact O-N 2.94Å; L474-C478 PolarHBondContact O-SG 3.28Å; L474-F577 HydrophobicContact CD2-CD1 3.98Å; L474-F577 HydrophobicContact CD2-CE1 4.41Å; L474-V579 HydrophobicContact CD1-CG2 4.21Å; L474-W596 HydrophobicContact CB-CZ2 4.04Å; L474-W596 HydrophobicContact CD1-CH2 3.84Å; L474-W596 HydrophobicContact CD1-CZ2 3.77Å; L474-W596 HydrophobicContact CD1-CZ3 4.26Å; L474-W596 HydrophobicContact CD2-CZ2 4.3Å; L474-W596 HydrophobicContact CG-CZ2 4.24Å
475S90.7Very high89.8Confident53 Ų5361.6 Ų61.637%0.37131%0.309SS..G310 helixtrans-55.3-16.3175.959.40000115.8N473 Q480N473-S475 PolarHBondContact O-N 2.93Å; S475-Q480 PolarHBondContact O-NE2 3.36Å
476N90.3Very high89.7Confident88 Ų8864 Ų6447%0.47132%0.323SS..G310 helixtrans-96.6-11.6-176-55.8-0.3000112.3F471 N473 L474F471-N476 PolarHBondContact O-ND2 2.98Å; N473-N476 PolarHBondContact N-ND2 3.31Å; N473-N476 WeakPolarHBondContact O-CB 3.35Å; N473-N476 PolarHBondContact O-N 2.9Å; L474-N476 PolarHBondContact O-N 3.1Å
477I93.2Very high89.7Confident1 Ų161.8 Ų61.81%0.00532%0.315CS..THydrogen-bonded Turntrans-131.1-23.5-174.360.7171000113.5I472 L474 V579 N580 K592 W596I472-I477 HydrophobicContact CG2-CG2 4.02Å; L474-I477 HydrophobicContact CD1-CG1 4.39Å; L474-I477 WeakPolarHBondContact O-CG1 3.36Å; L474-I477 PolarHBondContact O-N 3.38Å; L474-I477 VanDerWaalsContact O-N 3.07Å; I477-V579 HydrophobicContact CB-CG1 4.12Å; I477-V579 HydrophobicContact CD1-CG1 4.12Å; I477-V579 HydrophobicContact CD1-CG2 4.21Å; I477-V579 HydrophobicContact CG1-CG1 4.24Å; I477-V579 HydrophobicContact CG1-CG2 4.37Å; I477-N580 PolarHBondContact O-N 3.09Å; I477-N580 PolarHBondContact O-ND2 2.75Å; I477-K592 HydrophobicContact CG2-CB 4.19Å; I477-W596 HydrophobicContact CD1-CB 3.52Å; I477-W596 HydrophobicContact CD1-CD2 3.75Å; I477-W596 HydrophobicContact CD1-CE3 3.94Å; I477-W596 HydrophobicContact CD1-CG 3.54Å
478C94.3Very high90Very high2 Ų255.8 Ų55.81%0.01429%0.294CS..BIsolated β-bridgetrans-66.3152.9-177.771.40000113.4L474 C489 L578 N580L474-C478 HydrophobicContact CD1-CB 3.83Å; L474-C478 HydrophobicContact CG-CB 4.05Å; L474-C478 VanDerWaalsContact O-CB 3.3Å; L474-C478 WeakPolarHBondContact O-CB 3.44Å; L474-C478 PolarHBondContact O-N 2.94Å; L474-C478 PolarHBondContact O-SG 3.28Å; C478-C489 HydrophobicContact CB-CB 3.49Å; C478-C489 VanDerWaalsContact CB-CB 3.49Å; C478-C489 WeakPolarHBondContact CB-SG 3.47Å; C478-C489 WeakPolarHBondContact SG-CA 3.24Å; C478-C489 WeakPolarHBondContact SG-CB 3.39Å; C478-C489 CovalentContact SG-SG 2.03Å; C478-C489 PolarHBondContact SG-SG 3.03Å; C478-L578 CarbonylContact C-O 3.59Å; C478-L578 WeakPolarHBondContact CA-O 3.39Å; C478-N580 PolarHBondContact O-ND2 3.21Å
479F92.9Very high90.4Very high22 Ų2252.6 Ų52.610%0.09628%0.281CS..  trans-67.5132169.9179.4-124.7000110.3Y410 P481 A490 L578 N580 T1166Y410-F479 HydrophobicContact CD1-CB 4.09Å; Y410-F479 HydrophobicContact CD1-CD2 4.34Å; Y410-F479 HydrophobicContact CD1-CG 4.15Å; Y410-F479 HydrophobicContact CE1-CB 4.01Å; Y410-F479 HydrophobicContact CE1-CD1 4.13Å; Y410-F479 AromaticContact CE1-CD2 3.44Å; Y410-F479 HydrophobicContact CE1-CD2 3.44Å; Y410-F479 VanDerWaalsContact CE1-CD2 3.44Å; Y410-F479 AromaticContact CE1-CE2 3.91Å; Y410-F479 HydrophobicContact CE1-CE2 3.91Å; Y410-F479 AromaticContact CE1-CG 3.58Å; Y410-F479 HydrophobicContact CE1-CG 3.58Å; Y410-F479 HydrophobicContact CE1-CZ 4.43Å; Y410-F479 AromaticContact CZ-CD2 3.94Å; Y410-F479 AromaticContact CZ-CE2 3.96Å; Y410-F479 WeakPolarHBondContact OH-CE2 3.25Å; Y410-F479 WeakPolarHBondContact OH-CZ 3.26Å; F479-P481 HydrophobicContact CE1-CB 3.72Å; F479-P481 HydrophobicContact CE1-CG 4.16Å; F479-P481 HydrophobicContact CZ-CB 3.8Å; F479-A490 HydrophobicContact CB-CB 4.32Å; F479-A490 HydrophobicContact CD1-CB 3.76Å; F479-A490 HydrophobicContact CG-CB 4.47Å; F479-A490 PolarHBondContact O-N 2.76Å; F479-L578 HydrophobicContact CB-CB 4.17Å; F479-L578 PolarHBondContact N-O 3.17Å; F479-N580 WeakPolarHBondContact CA-OD1 3.25Å; F479-T1166 HydrophobicContact CE2-CG2 4.2Å; F479-T1166 HydrophobicContact CZ-CG2 4.24Å
480Q92.2Very high90.7Very high22 Ų2246.7 Ų46.710%0.10325%0.254CS..  trans-12885.7-175.2-72.2173.7-37.400108.9S475 L482 K483 L487S475-Q480 PolarHBondContact O-NE2 3.36Å; Q480-L482 VanDerWaalsContact C-N 3.33Å; Q480-L482 PolarHBondContact O-N 2.85Å; Q480-K483 HydrophobicContact CB-CB 4.16Å; Q480-K483 HydrophobicContact CB-CD 4.27Å; Q480-K483 WeakPolarHBondContact O-CB 3.46Å; Q480-K483 PolarHBondContact O-N 3.4Å; Q480-L487 PolarHBondContact NE2-O 3.02Å
481P89Confident90.9Very high8 Ų844 Ų445%0.05224%0.238CC..THydrogen-bonded Turntrans-66.5-29-16720.4-29.7000114.3F479 M551F479-P481 HydrophobicContact CE1-CB 3.72Å; F479-P481 HydrophobicContact CE1-CG 4.16Å; F479-P481 HydrophobicContact CZ-CB 3.8Å; P481-M551 HydrophobicContact CB-CG 4.28Å; P481-M551 HydrophobicContact CB-SD 3.85Å; P481-M551 HydrophobicContact CG-CG 3.54Å; P481-M551 HydrophobicContact CG-SD 3.8Å
482L89.2Confident91Very high12 Ų1239.3 Ų39.36%0.06322%0.22CC..THydrogen-bonded Turntrans-100.39.9-176.4-66.4-171.8000114.6Q480 D485 N486 K1161 A1162Q480-L482 VanDerWaalsContact C-N 3.33Å; Q480-L482 PolarHBondContact O-N 2.85Å; L482-D485 PolarHBondContact O-N 3.32Å; L482-N486 HydrophobicContact CB-CB 3.99Å; L482-N486 PolarHBondContact O-N 3.21Å; L482-K1161 HydrophobicContact CD2-CB 4.26Å; L482-K1161 HydrophobicContact CD2-CD 4.45Å; L482-K1161 HydrophobicContact CD2-CG 4Å; L482-K1161 WeakPolarHBondContact O-CE 3.26Å; L482-K1161 PolarHBondContact O-NZ 2.91Å; L482-A1162 HydrophobicContact CD2-CB 3.9Å
483K87.4Confident91.1Very high123 Ų12339.1 Ų39.154%0.53522%0.219SC..THydrogen-bonded Turntrans-55.2137.3-179.8-165.6172.2-165.6155.40111.2Q480 N486 L487Q480-K483 HydrophobicContact CB-CB 4.16Å; Q480-K483 HydrophobicContact CB-CD 4.27Å; Q480-K483 WeakPolarHBondContact O-CB 3.46Å; Q480-K483 PolarHBondContact O-N 3.4Å; K483-N486 PolarHBondContact N-O 3.4Å; K483-L487 HydrophobicContact CG-CD2 4.19Å
484P87.5Confident91.1Very high102 Ų10236.7 Ų36.766%0.66221%0.206SC*.THydrogen-bonded Turncis-84.5-11.35.335-36.1000115.6N486P484-N486 PolarHBondContact O-N 3.31Å
485D86.1Confident91.2Very high99 Ų9936.6 Ų36.653%0.52921%0.205SC..THydrogen-bonded Turntrans-68.1-37.3-165-44.50.7000113L482 N1151 K1161L482-D485 PolarHBondContact O-N 3.32Å; D485-N1151 PolarHBondContact OD2-ND2 3.25Å; D485-N1151 PolarHBondContact OD2-OD1 3.36Å; D485-K1161 IonicContact OD1-NZ 2.65Å; D485-K1161 PolarHBondContact OD1-NZ 2.99Å; D485-K1161 IonicContact OD2-NZ 2.73Å; D485-K1161 PolarHBondContact OD2-NZ 3.11Å
486N87.3Confident91.3Very high56 Ų5634.1 Ų34.130%0.29919%0.188SC..  trans-125.9137.6168.5-176.85.5000109.3L482 K483 P484 G488 S548L482-N486 HydrophobicContact CB-CB 3.99Å; L482-N486 PolarHBondContact O-N 3.21Å; K483-N486 PolarHBondContact N-O 3.4Å; P484-N486 PolarHBondContact O-N 3.31Å; N486-G488 PolarHBondContact OD1-N 3.1Å; N486-S548 PolarHBondContact ND2-O 2.94Å
487L89.7Confident91.3Very high105 Ų10529.9 Ų29.955%0.5517%0.165SC..  trans-105.25.2-179.9-59179.4000113Q480 K483Q480-L487 PolarHBondContact NE2-O 3.02Å; K483-L487 HydrophobicContact CG-CD2 4.19Å
488G90.3Very high91.2Very high19 Ų1929.9 Ų29.920%0.19617%0.165CC..  trans-56.7135.7173.200000112.4N486N486-G488 PolarHBondContact OD1-N 3.1Å
489C93.7Very high90.9Very high17 Ų1732.7 Ų32.712%0.11518%0.178CC..  trans-77.2138.3177.2-66.10000110.9C478 I491 S549C478-C489 HydrophobicContact CB-CB 3.49Å; C478-C489 VanDerWaalsContact CB-CB 3.49Å; C478-C489 WeakPolarHBondContact CB-SG 3.47Å; C478-C489 WeakPolarHBondContact SG-CA 3.24Å; C478-C489 WeakPolarHBondContact SG-CB 3.39Å; C478-C489 CovalentContact SG-SG 2.03Å; C478-C489 PolarHBondContact SG-SG 3.03Å; C489-I491 HydrophobicContact CB-CD1 4.36Å; C489-I491 HydrophobicContact CB-CG1 4.3Å; C489-I491 PolarHBondContact O-N 3.35Å; C489-S549 WeakPolarHBondContact O-CB 3.26Å
490A92.6Very high90.8Very high6 Ų632.9 Ų32.95%0.0518%0.18CC..  trans-66.2104.4172.400000110.7F479 L578F479-A490 HydrophobicContact CB-CB 4.32Å; F479-A490 HydrophobicContact CD1-CB 3.76Å; F479-A490 HydrophobicContact CG-CB 4.47Å; F479-A490 PolarHBondContact O-N 2.76Å; A490-L578 HydrophobicContact CB-CB 4.28Å; A490-L578 HydrophobicContact CB-CD1 4.06Å; A490-L578 PolarHBondContact O-N 2.7Å; A490-L578 VanDerWaalsContact O-N 3.14Å
491I94.8Very high90.7Very high5 Ų535.1 Ų35.13%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-123.8141.1177-60.9171.9000107Q459 C489 E496 T576 F577Q459-I491 HydrophobicContact CG-CD1 3.88Å; Q459-I491 VanDerWaalsContact NE2-CD1 3.33Å; C489-I491 HydrophobicContact CB-CD1 4.36Å; C489-I491 HydrophobicContact CB-CG1 4.3Å; C489-I491 PolarHBondContact O-N 3.35Å; I491-E496 HydrophobicContact CB-CG 4.28Å; I491-E496 HydrophobicContact CG2-CG 4.1Å; I491-T576 WeakPolarHBondContact CA-O 3.41Å; I491-F577 HydrophobicContact CD1-CD1 3.78Å; I491-F577 HydrophobicContact CD1-CE1 3.78Å; I491-F577 HydrophobicContact CG1-CD1 3.72Å; I491-F577 HydrophobicContact CG1-CE1 4.14Å; I491-F577 HydrophobicContact CG2-CD1 4.31Å; I491-F577 HydrophobicContact CG2-CE1 4.24Å
492T93.6Very high90.7Very high27 Ų2738.1 Ų38.117%0.16621%0.208CC..EExtended strand (participates in β ladder)trans-119.9115.5170.765.80000109.8V557 L575 T576T492-V557 HydrophobicContact CG2-CG2 4.12Å; T492-L575 WeakPolarHBondContact O-CA 3.16Å; T492-T576 PolarHBondContact N-O 3.3Å; T492-T576 PolarHBondContact O-N 3.14Å; T492-T576 WeakPolarHBondContact OG1-CB 3.4Å
493S93.9Very high90.6Very high0 Ų042.2 Ų42.20%023%0.234CC..SBendtrans-155.4165.1168.877.30000109.3Q455 I495 E496Q455-S493 PolarHBondContact OE1-OG 3.05Å; S493-I495 PolarHBondContact O-N 2.8Å; S493-I495 PolarHBondContact OG-N 3.33Å; S493-E496 WeakPolarHBondContact O-CB 3.5Å; S493-E496 PolarHBondContact O-N 2.91Å; S493-E496 VanDerWaalsContact O-N 3.1Å; S493-E496 PolarHBondContact OG-N 3.39Å
494P92.5Very high90.6Very high0 Ų037 Ų370%021%0.211CC..THydrogen-bonded Turntrans-64.1-17.4174.1-22.735.6000113.6E496 Y497 F498 L524 A558 L559 V573P494-E496 VanDerWaalsContact C-N 3.33Å; P494-Y497 HydrophobicContact CB-CD2 4.48Å; P494-Y497 WeakPolarHBondContact O-CD2 3.41Å; P494-F498 WeakPolarHBondContact O-CD2 3.5Å; P494-L524 HydrophobicContact CB-CD1 4.26Å; P494-A558 HydrophobicContact CG-CB 4.32Å; P494-A558 WeakPolarHBondContact CG-O 3.38Å; P494-L559 HydrophobicContact CB-CD2 4.31Å; P494-L559 HydrophobicContact CG-CD2 3.59Å; P494-L559 HydrophobicContact CG-CG 4.49Å; P494-V573 VanDerWaalsContact CD-CG1 3.47Å; P494-V573 HydrophobicContact CG-CB 4.49Å; P494-V573 HydrophobicContact CG-CG1 3.71Å; P494-V573 HydrophobicContact CG-CG2 4.09Å
495I93.8Very high90.6Very high2 Ų232.1 Ų32.11%0.0118%0.18CC..THydrogen-bonded Turntrans-77.9-22.4177.1-49.4-57000111L448 V451 A452 S493 Y497 F498 N500L448-I495 HydrophobicContact CB-CD1 4.1Å; L448-I495 HydrophobicContact CD2-CD1 4.23Å; V451-I495 HydrophobicContact CG1-CG1 4.15Å; A452-I495 HydrophobicContact CB-CD1 4.21Å; A452-I495 HydrophobicContact CB-CG1 4.14Å; A452-I495 HydrophobicContact CB-CG2 3.88Å; S493-I495 PolarHBondContact O-N 2.8Å; S493-I495 PolarHBondContact OG-N 3.33Å; I495-Y497 VanDerWaalsContact C-N 3.32Å; I495-Y497 PolarHBondContact O-N 2.82Å; I495-F498 PolarHBondContact O-N 3.43Å; I495-N500 PolarHBondContact O-N 3.31Å; I495-N500 VanDerWaalsContact O-N 3.12Å
496E93.2Very high90.7Very high0 Ų030.8 Ų30.80%017%0.173CC..G310 helixtrans-72.4-19.6174.1-69.7-59.8134.600113.6Q455 I491 S493 P494 F498 Q499 S547 S548 V553Q455-E496 PolarHBondContact NE2-OE1 3.01Å; I491-E496 HydrophobicContact CB-CG 4.28Å; I491-E496 HydrophobicContact CG2-CG 4.1Å; S493-E496 WeakPolarHBondContact O-CB 3.5Å; S493-E496 PolarHBondContact O-N 2.91Å; S493-E496 VanDerWaalsContact O-N 3.1Å; S493-E496 PolarHBondContact OG-N 3.39Å; P494-E496 VanDerWaalsContact C-N 3.33Å; E496-F498 PolarHBondContact O-N 3.37Å; E496-Q499 WeakPolarHBondContact O-CA 3.5Å; E496-Q499 PolarHBondContact O-N 3.41Å; E496-S547 WeakPolarHBondContact O-CA 3.46Å; E496-S548 VanDerWaalsContact OE2-CB 3.29Å; E496-S548 WeakPolarHBondContact OE2-CB 3.11Å; E496-S548 PolarHBondContact OE2-N 3.25Å; E496-S548 PolarHBondContact OE2-OG 3.21Å; E496-V553 HydrophobicContact CB-CG2 3.99Å
497Y90.3Very high90.6Very high0 Ų030.7 Ų30.70%017%0.174CC..G310 helixtrans-59.7-29168.3-67.6-51.2000111.9P494 I495 Q499 H523 C527 T528 V553 P555P494-Y497 HydrophobicContact CB-CD2 4.48Å; P494-Y497 WeakPolarHBondContact O-CD2 3.41Å; I495-Y497 VanDerWaalsContact C-N 3.32Å; I495-Y497 PolarHBondContact O-N 2.82Å; Y497-Q499 PolarHBondContact O-NE2 3.04Å; Y497-H523 PolarHBondContact O-NE2 3.25Å; Y497-C527 HydrophobicContact CD1-CB 3.5Å; Y497-C527 HydrophobicContact CD2-CB 4.45Å; Y497-C527 HydrophobicContact CE1-CB 3.95Å; Y497-C527 HydrophobicContact CG-CB 3.8Å; Y497-T528 HydrophobicContact CE2-CG2 4.11Å; Y497-V553 HydrophobicContact CD1-CB 4.24Å; Y497-V553 HydrophobicContact CE1-CB 3.71Å; Y497-V553 HydrophobicContact CE1-CG1 4.13Å; Y497-V553 VanDerWaalsContact CE1-O 3.23Å; Y497-V553 WeakPolarHBondContact CE1-O 3.47Å; Y497-V553 PolarHBondContact OH-O 2.96Å; Y497-P555 WeakPolarHBondContact OH-CA 3.47Å
498F90.5Very high90.2Very high1 Ų129.7 Ų29.70%0.00417%0.168CC..G310 helixtrans-97.819.4175-49.9-96.7000111.9P494 I495 E496 N500 N501 L504 F505 Y520 H523 L524P494-F498 WeakPolarHBondContact O-CD2 3.5Å; I495-F498 PolarHBondContact O-N 3.43Å; E496-F498 PolarHBondContact O-N 3.37Å; F498-N500 PolarHBondContact O-N 2.85Å; F498-N500 VanDerWaalsContact O-N 3.12Å; F498-N501 WeakPolarHBondContact O-CB 3.26Å; F498-N501 PolarHBondContact O-N 3.22Å; F498-L504 HydrophobicContact CB-CD2 4.14Å; F498-L504 HydrophobicContact CB-CG 4.45Å; F498-L504 HydrophobicContact CD1-CG 4.22Å; F498-F505 HydrophobicContact CB-CB 4.38Å; F498-F505 HydrophobicContact CD1-CB 4.1Å; F498-F505 HydrophobicContact CD1-CD2 4.12Å; F498-F505 AromaticContact CD2-CD2 3.81Å; F498-F505 HydrophobicContact CD2-CD2 3.81Å; F498-F505 AromaticContact CE1-CD2 3.96Å; F498-F505 HydrophobicContact CE1-CD2 3.96Å; F498-F505 AromaticContact CE2-CD2 3.67Å; F498-F505 HydrophobicContact CE2-CD2 3.67Å; F498-F505 HydrophobicContact CE2-CE2 4.11Å; F498-F505 HydrophobicContact CG-CB 4.15Å; F498-F505 HydrophobicContact CG-CD2 4.05Å; F498-F505 AromaticContact CZ-CD2 3.74Å; F498-F505 HydrophobicContact CZ-CD2 3.74Å; F498-F505 HydrophobicContact CZ-CE2 4.19Å; F498-Y520 WeakPolarHBondContact CZ-O 3.4Å; F498-H523 AromaticContact CD1-CD2 3.63Å; F498-H523 HydrophobicContact CE1-CB 4.13Å; F498-H523 AromaticContact CE1-CD2 3.29Å; F498-H523 WeakPolarHBondContact CE1-CD2 3.37Å; F498-H523 AromaticContact CE1-CG 3.9Å; F498-H523 AromaticContact CZ-CD2 3.67Å; F498-L524 HydrophobicContact CZ-CB 4.24Å
499Q89.1Confident89.6Confident61 Ų6133.9 Ų33.929%0.28518%0.179SC..THydrogen-bonded Turntrans50.933.4-176.6-59.874.448.800114.6E496 Y497 N501 G544 L546E496-Q499 WeakPolarHBondContact O-CA 3.5Å; E496-Q499 PolarHBondContact O-N 3.41Å; Y497-Q499 PolarHBondContact O-NE2 3.04Å; Q499-N501 PolarHBondContact O-N 3.38Å; Q499-G544 PolarHBondContact NE2-O 2.99Å; Q499-L546 PolarHBondContact NE2-O 3.28Å
500N89.4Confident88.8Confident25 Ų2536.1 Ų36.113%0.13419%0.191CC..THydrogen-bonded Turntrans61.115.9-172.4-163.743.4000114.7Q455 N456 Q459 I495 F498Q455-N500 PolarHBondContact NE2-OD1 3.47Å; N456-N500 PolarHBondContact ND2-OD1 3.4Å; N456-N500 PolarHBondContact OD1-ND2 3.01Å; Q459-N500 PolarHBondContact NE2-ND2 3.19Å; I495-N500 PolarHBondContact O-N 3.31Å; I495-N500 VanDerWaalsContact O-N 3.12Å; F498-N500 PolarHBondContact O-N 2.85Å; F498-N500 VanDerWaalsContact O-N 3.12Å
501N90.4Very high87.8Confident69 Ų6937.6 Ų37.637%0.36920%0.199SC..  trans-93.6107-179.6-1758.4000112.5F498 Q499 T503 L504 F505F498-N501 WeakPolarHBondContact O-CB 3.26Å; F498-N501 PolarHBondContact O-N 3.22Å; Q499-N501 PolarHBondContact O-N 3.38Å; N501-T503 PolarHBondContact ND2-OG1 3.11Å; N501-T503 PolarHBondContact O-N 2.98Å; N501-T503 PolarHBondContact OD1-N 2.85Å; N501-T503 PolarHBondContact OD1-OG1 3.43Å; N501-T503 VanDerWaalsContact OD1-OG1 3.09Å; N501-L504 HydrophobicContact CB-CB 4.28Å; N501-L504 PolarHBondContact O-N 2.92Å; N501-F505 PolarHBondContact O-N 2.99Å; N501-F505 VanDerWaalsContact O-N 3.17Å
502L88.2Confident87Confident71 Ų7145.4 Ų45.437%0.37224%0.24SC..THydrogen-bonded Turntrans-65.7-16.3176.6-72.4176.7000114.7L449 A452 N506L449-L502 HydrophobicContact CD2-CD2 4.02Å; A452-L502 HydrophobicContact CB-CD2 3.75Å; L502-N506 PolarHBondContact O-N 2.74Å; L502-N506 PolarHBondContact O-ND2 2.68Å
503T88.8Confident86.1Confident99 Ų9951.9 Ų51.961%0.60727%0.267SS*.THydrogen-bonded Turntrans-73.5-48.3172.7730000110.3N501 F505 N506 T507N501-T503 PolarHBondContact ND2-OG1 3.11Å; N501-T503 PolarHBondContact O-N 2.98Å; N501-T503 PolarHBondContact OD1-N 2.85Å; N501-T503 PolarHBondContact OD1-OG1 3.43Å; N501-T503 VanDerWaalsContact OD1-OG1 3.09Å; T503-F505 PolarHBondContact O-N 3.29Å; T503-N506 PolarHBondContact O-N 3.06Å; T503-T507 PolarHBondContact O-N 3.44Å; T503-T507 VanDerWaalsContact O-N 3.14Å; T503-T507 PolarHBondContact O-OG1 3.39Å
504L86Confident84.8Confident12 Ų1258.4 Ų58.46%0.06330%0.302CS..G310 helixtrans-61.3-43.2178.5178.664.2000111.7F498 N501 N506 T507 D540 A543F498-L504 HydrophobicContact CB-CD2 4.14Å; F498-L504 HydrophobicContact CB-CG 4.45Å; F498-L504 HydrophobicContact CD1-CG 4.22Å; N501-L504 HydrophobicContact CB-CB 4.28Å; N501-L504 PolarHBondContact O-N 2.92Å; L504-N506 PolarHBondContact O-N 3.42Å; L504-T507 WeakPolarHBondContact O-CB 3.33Å; L504-T507 PolarHBondContact O-N 3.06Å; L504-T507 PolarHBondContact O-OG1 2.83Å; L504-D540 HydrophobicContact CD1-CB 4.24Å; L504-A543 HydrophobicContact CD1-CB 3.72Å; L504-A543 HydrophobicContact CD2-CB 3.69Å; L504-A543 HydrophobicContact CG-CB 4.34Å
505F88.5Confident83.6Confident1 Ų162.3 Ų62.30%0.00432%0.322CS..G310 helixtrans-61.4-22.8174.7-179.2-97.9000114K445 L448 L449 F498 N501 T503 Y520K445-F505 HydrophobicContact CG-CE1 3.76Å; K445-F505 HydrophobicContact CG-CZ 3.97Å; L448-F505 HydrophobicContact CB-CE2 4.23Å; L448-F505 HydrophobicContact CB-CZ 3.71Å; L448-F505 HydrophobicContact CD1-CE2 3.99Å; L448-F505 HydrophobicContact CD1-CZ 4.03Å; L449-F505 HydrophobicContact CD2-CD1 3.86Å; L449-F505 HydrophobicContact CD2-CE1 3.71Å; L449-F505 HydrophobicContact CG-CE1 3.95Å; F498-F505 HydrophobicContact CB-CB 4.38Å; F498-F505 HydrophobicContact CD1-CB 4.1Å; F498-F505 HydrophobicContact CD1-CD2 4.12Å; F498-F505 AromaticContact CD2-CD2 3.81Å; F498-F505 HydrophobicContact CD2-CD2 3.81Å; F498-F505 AromaticContact CE1-CD2 3.96Å; F498-F505 HydrophobicContact CE1-CD2 3.96Å; F498-F505 AromaticContact CE2-CD2 3.67Å; F498-F505 HydrophobicContact CE2-CD2 3.67Å; F498-F505 HydrophobicContact CE2-CE2 4.11Å; F498-F505 HydrophobicContact CG-CB 4.15Å; F498-F505 HydrophobicContact CG-CD2 4.05Å; F498-F505 AromaticContact CZ-CD2 3.74Å; F498-F505 HydrophobicContact CZ-CD2 3.74Å; F498-F505 HydrophobicContact CZ-CE2 4.19Å; N501-F505 PolarHBondContact O-N 2.99Å; N501-F505 VanDerWaalsContact O-N 3.17Å; T503-F505 PolarHBondContact O-N 3.29Å; F505-Y520 HydrophobicContact CD2-CD2 4.41Å; F505-Y520 AromaticContact CE2-CD2 3.5Å; F505-Y520 HydrophobicContact CE2-CD2 3.5Å; F505-Y520 HydrophobicContact CE2-CE2 4.28Å; F505-Y520 HydrophobicContact CE2-CG 4.01Å; F505-Y520 AromaticContact CZ-CD2 3.73Å; F505-Y520 HydrophobicContact CZ-CD2 3.73Å; F505-Y520 HydrophobicContact CZ-CE2 4.15Å; F505-Y520 HydrophobicContact CZ-CG 4.2Å
506N87.7Confident82.4Confident70 Ų7064.5 Ų64.537%0.37434%0.336SS..G310 helixtrans-101.1-4.3179.6-78.1-66.7000114.4K445 L502 T503 L504K445-N506 WeakPolarHBondContact CE-OD1 3.48Å; K445-N506 PolarHBondContact NZ-OD1 3.45Å; K445-N506 VanDerWaalsContact NZ-OD1 3.16Å; L502-N506 PolarHBondContact O-N 2.74Å; L502-N506 PolarHBondContact O-ND2 2.68Å; T503-N506 PolarHBondContact O-N 3.06Å; L504-N506 PolarHBondContact O-N 3.42Å
507T85.4Confident81.4Confident55 Ų5566.7 Ų66.734%0.33735%0.347SS..  trans-59.3137.6171.1-57.60000110.5T503 L504 L539T503-T507 PolarHBondContact O-N 3.44Å; T503-T507 VanDerWaalsContact O-N 3.14Å; T503-T507 PolarHBondContact O-OG1 3.39Å; L504-T507 WeakPolarHBondContact O-CB 3.33Å; L504-T507 PolarHBondContact O-N 3.06Å; L504-T507 PolarHBondContact O-OG1 2.83Å; T507-L539 HydrophobicContact CG2-CD1 4.08Å; T507-L539 HydrophobicContact CG2-CG 4.27Å
508I81.7Confident80.7Confident83 Ų8367.1 Ų67.143%0.42635%0.35SS..  trans-131.4134.3169.1-58176.9000106T510 P516 D519I508-T510 HydrophobicContact CG2-CG2 4.38Å; I508-P516 HydrophobicContact CG2-CB 3.9Å; I508-D519 HydrophobicContact CG1-CB 4.39Å
509R77.8Confident80.3Confident108 Ų10868 Ų6841%0.40836%0.355SS..EExtended strand (participates in β ladder)trans-98.4113.7174.4-179.4177.7176-177-5.9108.7I517 N518 P538 L539R509-I517 PolarHBondContact O-N 3.29Å; R509-N518 HydrophobicContact CB-CB 4.3Å; R509-N518 PolarHBondContact N-O 3.36Å; R509-N518 PolarHBondContact O-N 3.1Å; R509-P538 PolarHBondContact NH1-O 3.26Å; R509-L539 HydrophobicContact CB-CD1 4.16Å
510T75.8Confident80.2Confident63 Ų6365.7 Ų65.739%0.38734%0.343SS..EExtended strand (participates in β ladder)trans-96.7165178.148.90000113.1I508 L515 I517I508-T510 HydrophobicContact CG2-CG2 4.38Å; T510-L515 CarbonylContact C-O 3.53Å; T510-L515 WeakPolarHBondContact CA-O 3.12Å; T510-L515 WeakPolarHBondContact CB-O 3.46Å; T510-I517 WeakPolarHBondContact O-CD1 3.13Å
511D71.7Confident80Confident37 Ų3764.6 Ų64.620%0.19834%0.337CS..  trans-89.9-177167.574-5.3000112.3F513 D514 L515 I517D511-F513 PolarHBondContact O-N 3.03Å; D511-F513 VanDerWaalsContact OD1-C 3.32Å; D511-F513 VanDerWaalsContact OD1-CA 3.31Å; D511-F513 WeakPolarHBondContact OD1-CA 3.24Å; D511-F513 WeakPolarHBondContact OD1-CB 3.32Å; D511-F513 PolarHBondContact OD1-N 3.36Å; D511-D514 PolarHBondContact O-N 3.49Å; D511-D514 VanDerWaalsContact O-N 3.13Å; D511-D514 PolarHBondContact OD1-N 2.67Å; D511-L515 PolarHBondContact N-O 3.25Å; D511-L515 WeakPolarHBondContact OD1-CB 3.29Å; D511-L515 PolarHBondContact OD1-N 2.7Å; D511-I517 HydrophobicContact CB-CD1 3.82Å; D511-I517 HydrophobicContact CB-CG1 3.83Å
512D77.4Confident79.5Confident169 Ų16961.5 Ų61.590%0.90432%0.321SS*.THydrogen-bonded Turntrans-63.2-3.4176.5-66-31.7000114
513F74.9Confident79.3Confident164 Ų16458.1 Ų58.172%0.71930%0.303SS*.THydrogen-bonded Turntrans-115.713.5178.4-58-74000113.1D511 L515D511-F513 PolarHBondContact O-N 3.03Å; D511-F513 VanDerWaalsContact OD1-C 3.32Å; D511-F513 VanDerWaalsContact OD1-CA 3.31Å; D511-F513 WeakPolarHBondContact OD1-CA 3.24Å; D511-F513 WeakPolarHBondContact OD1-CB 3.32Å; D511-F513 PolarHBondContact OD1-N 3.36Å; F513-L515 HydrophobicContact CB-CD1 4.35Å; F513-L515 HydrophobicContact CB-CG 4.28Å; F513-L515 PolarHBondContact O-N 2.93Å
514D67.1Low79.2Confident137 Ų13753.5 Ų53.573%0.73328%0.275SS*.SBendtrans60.319.3-173.9-71.6-45.9000114.6D511D511-D514 PolarHBondContact O-N 3.49Å; D511-D514 VanDerWaalsContact O-N 3.13Å; D511-D514 PolarHBondContact OD1-N 2.67Å
515L68Low78.9Confident81 Ų8153.8 Ų53.842%0.42428%0.277SS..  trans-84.4139.9173.6-60.6172.2000110.7L430 T510 D511 F513 I517L430-L515 HydrophobicContact CD1-CB 4.25Å; L430-L515 HydrophobicContact CD1-CD1 4.3Å; L430-L515 HydrophobicContact CD2-CD1 4.19Å; T510-L515 CarbonylContact C-O 3.53Å; T510-L515 WeakPolarHBondContact CA-O 3.12Å; T510-L515 WeakPolarHBondContact CB-O 3.46Å; D511-L515 PolarHBondContact N-O 3.25Å; D511-L515 WeakPolarHBondContact OD1-CB 3.29Å; D511-L515 PolarHBondContact OD1-N 2.7Å; F513-L515 HydrophobicContact CB-CD1 4.35Å; F513-L515 HydrophobicContact CB-CG 4.28Å; F513-L515 PolarHBondContact O-N 2.93Å; L515-I517 PolarHBondContact O-N 3.02Å
516P67.7Low78.5Confident49 Ų4955.2 Ų55.232%0.31828%0.283SS..EExtended strand (participates in β ladder)trans-69.4116.8179.428-34000111.9A429 L430 I508A429-P516 WeakPolarHBondContact CA-O 3.24Å; L430-P516 PolarHBondContact N-O 3.42Å; I508-P516 HydrophobicContact CG2-CB 3.9Å
517I72.9Confident78.4Confident45 Ų4551.9 Ų51.923%0.23127%0.265CS..EExtended strand (participates in β ladder)trans-81-46.2167.8-51.2173.5000109.6A429 G431 R509 T510 D511 L515A429-I517 WeakPolarHBondContact CB-O 3.23Å; G431-I517 WeakPolarHBondContact CA-O 3.35Å; G431-I517 PolarHBondContact N-O 3.29Å; G431-I517 VanDerWaalsContact N-O 3.15Å; R509-I517 PolarHBondContact O-N 3.29Å; T510-I517 WeakPolarHBondContact O-CD1 3.13Å; D511-I517 HydrophobicContact CB-CD1 3.82Å; D511-I517 HydrophobicContact CB-CG1 3.83Å; L515-I517 PolarHBondContact O-N 3.02Å
518N75Confident78.2Confident9 Ų949.3 Ų49.35%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-142146.5179-63117.9000113R509 D522 L539R509-N518 HydrophobicContact CB-CB 4.3Å; R509-N518 PolarHBondContact N-O 3.36Å; R509-N518 PolarHBondContact O-N 3.1Å; N518-D522 WeakPolarHBondContact CA-OD2 3.36Å; N518-D522 HydrophobicContact CB-CB 4.47Å; N518-D522 PolarHBondContact ND2-OD2 2.83Å; N518-L539 HydrophobicContact CB-CB 4.46Å; N518-L539 HydrophobicContact CB-CD1 4.22Å; N518-L539 WeakPolarHBondContact O-CD1 3.47Å
519D82.1Confident77.8Confident21 Ų2147.2 Ų47.211%0.11224%0.238CC..  trans-136.3-167.8173.496.3-15.9000113.4H427 I508 L521 D522 H523H427-D519 IonicContact CE1-OD1 3.52Å; H427-D519 IonicContact NE2-OD1 2.96Å; H427-D519 PolarHBondContact NE2-OD1 2.79Å; H427-D519 IonicContact NE2-OD2 3.6Å; I508-D519 HydrophobicContact CG1-CB 4.39Å; D519-L521 PolarHBondContact O-N 3.1Å; D519-L521 VanDerWaalsContact OD1-CB 3.3Å; D519-L521 WeakPolarHBondContact OD1-CB 3.13Å; D519-L521 PolarHBondContact OD1-N 3.46Å; D519-D522 PolarHBondContact N-OD2 3.1Å; D519-D522 PolarHBondContact O-N 3.32Å; D519-H523 PolarHBondContact O-N 2.86Å
520Y86.7Confident77.5Confident11 Ų1142.5 Ų42.54%0.04322%0.222CC..Hα-helixtrans-57.7-26.7179.375.9-74.6000114.2L443 K445 L448 F498 F505 L524L443-Y520 WeakPolarHBondContact O-CE2 3.4Å; L443-Y520 PolarHBondContact O-OH 2.88Å; K445-Y520 HydrophobicContact CB-CE1 3.95Å; K445-Y520 HydrophobicContact CB-CE2 4.28Å; K445-Y520 HydrophobicContact CD-CD1 4.05Å; K445-Y520 HydrophobicContact CD-CE1 3.83Å; K445-Y520 HydrophobicContact CG-CD1 4.47Å; K445-Y520 HydrophobicContact CG-CE1 4.09Å; K445-Y520 PolarHBondContact N-OH 3.32Å; L448-Y520 HydrophobicContact CD1-CD2 4.32Å; L448-Y520 HydrophobicContact CD1-CE2 3.96Å; F498-Y520 WeakPolarHBondContact CZ-O 3.4Å; F505-Y520 HydrophobicContact CD2-CD2 4.41Å; F505-Y520 AromaticContact CE2-CD2 3.5Å; F505-Y520 HydrophobicContact CE2-CD2 3.5Å; F505-Y520 HydrophobicContact CE2-CE2 4.28Å; F505-Y520 HydrophobicContact CE2-CG 4.01Å; F505-Y520 AromaticContact CZ-CD2 3.73Å; F505-Y520 HydrophobicContact CZ-CD2 3.73Å; F505-Y520 HydrophobicContact CZ-CE2 4.15Å; F505-Y520 HydrophobicContact CZ-CG 4.2Å; Y520-L524 WeakPolarHBondContact O-CB 3.48Å; Y520-L524 PolarHBondContact O-N 3.46Å
521L86Confident77.6Confident2 Ų239.6 Ų39.61%0.0120%0.204CC..Hα-helixtrans-73.3-36.5179.1-64.8170000111.9F425 H427 F439 L443 D519 L524 L525F425-L521 HydrophobicContact CE2-CD1 3.92Å; F425-L521 HydrophobicContact CZ-CD1 4.44Å; H427-L521 HydrophobicContact CB-CD1 4.21Å; F439-L521 HydrophobicContact CD1-CD2 3.87Å; F439-L521 HydrophobicContact CE1-CB 4.1Å; F439-L521 HydrophobicContact CE1-CD2 3.95Å; F439-L521 HydrophobicContact CE1-CG 4.42Å; F439-L521 HydrophobicContact CZ-CB 4.11Å; L443-L521 HydrophobicContact CB-CD2 4.36Å; D519-L521 PolarHBondContact O-N 3.1Å; D519-L521 VanDerWaalsContact OD1-CB 3.3Å; D519-L521 WeakPolarHBondContact OD1-CB 3.13Å; D519-L521 PolarHBondContact OD1-N 3.46Å; L521-L524 PolarHBondContact O-N 3.02Å; L521-L525 VanDerWaalsContact O-CB 3.22Å; L521-L525 WeakPolarHBondContact O-CB 3.49Å; L521-L525 PolarHBondContact O-N 3.19Å
522D79.7Confident77.8Confident4 Ų440.7 Ų40.72%0.02121%0.209CC..Hα-helixtrans-68.6-40.9176-57.6-59000111H427 S434 N518 D519 F526H427-D522 IonicContact CE1-OD1 2.78Å; H427-D522 IonicContact CE1-OD2 3.48Å; S434-D522 WeakPolarHBondContact CB-OD1 3.4Å; S434-D522 PolarHBondContact OG-OD1 3.27Å; N518-D522 WeakPolarHBondContact CA-OD2 3.36Å; N518-D522 HydrophobicContact CB-CB 4.47Å; N518-D522 PolarHBondContact ND2-OD2 2.83Å; D519-D522 PolarHBondContact N-OD2 3.1Å; D519-D522 PolarHBondContact O-N 3.32Å; D522-F526 VanDerWaalsContact O-CB 3.31Å; D522-F526 WeakPolarHBondContact O-CB 3.43Å; D522-F526 PolarHBondContact O-N 3.49Å
523H83.5Confident77.6Confident0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-64.4-45.6173.5-179.988000111.7Y497 F498 D519 F526 C527 S537 L539 A543Y497-H523 PolarHBondContact O-NE2 3.25Å; F498-H523 AromaticContact CD1-CD2 3.63Å; F498-H523 HydrophobicContact CE1-CB 4.13Å; F498-H523 AromaticContact CE1-CD2 3.29Å; F498-H523 WeakPolarHBondContact CE1-CD2 3.37Å; F498-H523 AromaticContact CE1-CG 3.9Å; F498-H523 AromaticContact CZ-CD2 3.67Å; D519-H523 PolarHBondContact O-N 2.86Å; H523-F526 PolarHBondContact O-N 2.83Å; H523-C527 WeakPolarHBondContact O-CB 3.37Å; H523-C527 PolarHBondContact O-N 2.92Å; H523-C527 PolarHBondContact O-SG 3.46Å; H523-C527 VanDerWaalsContact O-SG 3.42Å; H523-S537 PolarHBondContact ND1-OG 3.48Å; H523-L539 HydrophobicContact CB-CB 4.39Å; H523-L539 HydrophobicContact CB-CD2 3.97Å; H523-A543 PolarHBondContact CE1-O 2.98Å
524L86.9Confident77.5Confident3 Ų326.3 Ų26.32%0.01614%0.142CC..Hα-helixtrans-61.9-45.2177.2-176150.4000111.2L443 L448 P494 F498 Y520 L521 C527 T528L443-L524 HydrophobicContact CD1-CD2 4.29Å; L443-L524 HydrophobicContact CD2-CD1 3.94Å; L443-L524 HydrophobicContact CD2-CD2 3.98Å; L448-L524 HydrophobicContact CD1-CD1 4.47Å; P494-L524 HydrophobicContact CB-CD1 4.26Å; F498-L524 HydrophobicContact CZ-CB 4.24Å; Y520-L524 WeakPolarHBondContact O-CB 3.48Å; Y520-L524 PolarHBondContact O-N 3.46Å; L521-L524 PolarHBondContact O-N 3.02Å; L524-C527 PolarHBondContact O-N 3.01Å; L524-T528 HydrophobicContact CD2-CG2 4.1Å; L524-T528 WeakPolarHBondContact O-CG2 3.14Å; L524-T528 PolarHBondContact O-N 2.96Å
525L81Confident77.4Confident18 Ų1822.8 Ų22.89%0.09412%0.118CC..Hα-helixtrans-58.8-53.3176.6179.255.3000110.7L521 C527 T528 E529 N568L521-L525 VanDerWaalsContact O-CB 3.22Å; L521-L525 WeakPolarHBondContact O-CB 3.49Å; L521-L525 PolarHBondContact O-N 3.19Å; L525-C527 VanDerWaalsContact C-N 3.28Å; L525-C527 PolarHBondContact O-N 2.79Å; L525-T528 PolarHBondContact O-N 3.48Å; L525-T528 PolarHBondContact O-OG1 3.49Å; L525-E529 HydrophobicContact CD1-CG 4.49Å; L525-E529 PolarHBondContact O-N 3.31Å; L525-N568 WeakPolarHBondContact CD1-OD1 3.2Å
526F79.6Confident77.1Confident30 Ų3019.4 Ų19.413%0.13210%0.103CC..Hα-helixtrans-51.9-45.4175174.9-100.2000111.9D522 H523 E529 A530 Y535D522-F526 VanDerWaalsContact O-CB 3.31Å; D522-F526 WeakPolarHBondContact O-CB 3.43Å; D522-F526 PolarHBondContact O-N 3.49Å; H523-F526 PolarHBondContact O-N 2.83Å; F526-E529 CarbonylContact O-C 3.57Å; F526-E529 PolarHBondContact O-N 3.4Å; F526-A530 HydrophobicContact CE2-CB 4.4Å; F526-A530 HydrophobicContact CZ-CB 4.32Å; F526-A530 WeakPolarHBondContact O-CB 3.2Å; F526-A530 PolarHBondContact O-N 2.73Å; F526-Y535 HydrophobicContact CE2-CE2 4.49Å; F526-Y535 HydrophobicContact CZ-CD2 4.37Å; F526-Y535 AromaticContact CZ-CE2 3.84Å; F526-Y535 HydrophobicContact CZ-CE2 3.84Å
527C84.7Confident76.9Confident0 Ų017.3 Ų17.30%09%0.09CC..Hα-helixtrans-74.4-23.8179.3-67.20000114.8Y497 H523 L524 L525 A530 P531 C545Y497-C527 HydrophobicContact CD1-CB 3.5Å; Y497-C527 HydrophobicContact CD2-CB 4.45Å; Y497-C527 HydrophobicContact CE1-CB 3.95Å; Y497-C527 HydrophobicContact CG-CB 3.8Å; H523-C527 WeakPolarHBondContact O-CB 3.37Å; H523-C527 PolarHBondContact O-N 2.92Å; H523-C527 PolarHBondContact O-SG 3.46Å; H523-C527 VanDerWaalsContact O-SG 3.42Å; L524-C527 PolarHBondContact O-N 3.01Å; L525-C527 VanDerWaalsContact C-N 3.28Å; L525-C527 PolarHBondContact O-N 2.79Å; C527-A530 CarbonylContact O-C 3.5Å; C527-P531 VanDerWaalsContact O-CA 3.26Å; C527-P531 WeakPolarHBondContact O-CA 3.47Å; C527-P531 WeakPolarHBondContact O-CB 3.34Å; C527-P531 WeakPolarHBondContact O-CD 3.39Å; C527-P531 VanDerWaalsContact O-N 3.12Å; C527-C545 WeakPolarHBondContact CA-SG 3.29Å; C527-C545 HydrophobicContact CB-CB 3.58Å; C527-C545 WeakPolarHBondContact CB-SG 3.28Å; C527-C545 VanDerWaalsContact SG-CA 3.53Å; C527-C545 WeakPolarHBondContact SG-CB 3.12Å; C527-C545 CovalentContact SG-SG 2.04Å; C527-C545 PolarHBondContact SG-SG 3.44Å
528T80.9Confident76.4Confident1 Ų117.6 Ų17.61%0.0069%0.094CC..Hα-helixtrans-71.6-31.2167.9620000112.4Y497 L524 L525 P555 L559Y497-T528 HydrophobicContact CE2-CG2 4.11Å; L524-T528 HydrophobicContact CD2-CG2 4.1Å; L524-T528 WeakPolarHBondContact O-CG2 3.14Å; L524-T528 PolarHBondContact O-N 2.96Å; L525-T528 PolarHBondContact O-N 3.48Å; L525-T528 PolarHBondContact O-OG1 3.49Å; T528-P555 HydrophobicContact CG2-CB 3.97Å; T528-L559 HydrophobicContact CG2-CD1 3.73Å
529E74.3Confident76.1Confident40 Ų4017.8 Ų17.819%0.18710%0.095CC..Hα-helixtrans-85.9-21.2174.7-64.6-163.1167.700114.1N156 T165 A166 L525 F526N156-E529 PolarHBondContact ND2-O 3.28Å; T165-E529 WeakPolarHBondContact CA-OE2 3.18Å; A166-E529 WeakPolarHBondContact CB-OE1 3.3Å; A166-E529 PolarHBondContact N-OE1 3.45Å; A166-E529 PolarHBondContact N-OE2 3.18Å; L525-E529 HydrophobicContact CD1-CG 4.49Å; L525-E529 PolarHBondContact O-N 3.31Å; F526-E529 CarbonylContact O-C 3.57Å; F526-E529 PolarHBondContact O-N 3.4Å
530A72.4Confident75.5Confident9 Ų918.9 Ų18.97%0.07410%0.101CC..  trans-137.457.3-17800000113L161 F526 C527 L532 S533 C545L161-A530 HydrophobicContact CD1-CB 3.46Å; L161-A530 VanDerWaalsContact CD1-CB 3.46Å; F526-A530 HydrophobicContact CE2-CB 4.4Å; F526-A530 HydrophobicContact CZ-CB 4.32Å; F526-A530 WeakPolarHBondContact O-CB 3.2Å; F526-A530 PolarHBondContact O-N 2.73Å; C527-A530 CarbonylContact O-C 3.5Å; A530-L532 PolarHBondContact O-N 3.48Å; A530-S533 VanDerWaalsContact O-CB 3.31Å; A530-S533 WeakPolarHBondContact O-CB 3.49Å; A530-S533 PolarHBondContact O-N 2.78Å; A530-C545 WeakPolarHBondContact O-CB 3.2Å
531P77.9Confident74.5Confident1 Ų122.9 Ų22.91%0.00613%0.129CC..THydrogen-bonded Turntrans-67.5-5.2-174.729.1-37.4000114.7C527 P552 V553 L554C527-P531 VanDerWaalsContact O-CA 3.26Å; C527-P531 WeakPolarHBondContact O-CA 3.47Å; C527-P531 WeakPolarHBondContact O-CB 3.34Å; C527-P531 WeakPolarHBondContact O-CD 3.39Å; C527-P531 VanDerWaalsContact O-N 3.12Å; P531-P552 WeakPolarHBondContact O-CA 3.37Å; P531-P552 WeakPolarHBondContact O-CB 3.49Å; P531-V553 VanDerWaalsContact CB-O 3.29Å; P531-V553 WeakPolarHBondContact CB-O 3.28Å; P531-L554 HydrophobicContact CG-CD2 4.28Å
532L74.9Confident73.7Confident60 Ų6028.5 Ų28.531%0.31416%0.163SC..THydrogen-bonded Turntrans-101.91.7174-73.9160.8000112.8A530 T534 P552A530-L532 PolarHBondContact O-N 3.48Å; L532-T534 PolarHBondContact O-N 3.06Å; L532-P552 HydrophobicContact CD2-CB 3.75Å; L532-P552 HydrophobicContact CD2-CG 3.84Å; L532-P552 HydrophobicContact CG-CB 4.15Å
533S73.5Confident73.4Confident7 Ų728.6 Ų28.65%0.04917%0.165CC..  trans-69.6120.5-177.8-166.30000111.4A530 Y535 C545A530-S533 VanDerWaalsContact O-CB 3.31Å; A530-S533 WeakPolarHBondContact O-CB 3.49Å; A530-S533 PolarHBondContact O-N 2.78Å; S533-Y535 WeakPolarHBondContact OG-CD1 3.28Å; S533-Y535 WeakPolarHBondContact OG-CE1 3.28Å; S533-Y535 PolarHBondContact OG-N 3.31Å; S533-Y535 PolarHBondContact OG-O 3.32Å; S533-C545 PolarHBondContact O-N 2.84Å
534T71.9Confident73.2Confident25 Ų2529.2 Ų29.215%0.15317%0.171CC..SBendtrans-940.1170.649.50000113.1L532 L546 G1153 S1154L532-T534 PolarHBondContact O-N 3.06Å; T534-L546 HydrophobicContact CG2-CD1 3.68Å; T534-L546 HydrophobicContact CG2-CG 4.25Å; T534-G1153 WeakPolarHBondContact CB-O 3.43Å; T534-G1153 WeakPolarHBondContact CG2-O 3.49Å; T534-G1153 PolarHBondContact OG1-O 3.16Å; T534-S1154 WeakPolarHBondContact OG1-CA 3.35Å
535Y66.1Low73.1Confident62 Ų6229 Ų2924%0.24317%0.17CC..SBendtrans-110.8154.7166.863.9-92.7000110.1L161 F526 S533L161-Y535 WeakPolarHBondContact CD1-OH 3.11Å; L161-Y535 VanDerWaalsContact CG-OH 3.25Å; L161-Y535 WeakPolarHBondContact CG-OH 3.25Å; F526-Y535 HydrophobicContact CE2-CE2 4.49Å; F526-Y535 HydrophobicContact CZ-CD2 4.37Å; F526-Y535 AromaticContact CZ-CE2 3.84Å; F526-Y535 HydrophobicContact CZ-CE2 3.84Å; S533-Y535 WeakPolarHBondContact OG-CD1 3.28Å; S533-Y535 WeakPolarHBondContact OG-CE1 3.28Å; S533-Y535 PolarHBondContact OG-N 3.31Å; S533-Y535 PolarHBondContact OG-O 3.32Å
536G60.6Low73.3Confident11 Ų1129.4 Ų29.411%0.11317%0.172CC..  trans-87.5169.2-170.100000116.8D540 P541 A543G536-D540 CarbonylContact C-O 3.58Å; G536-D540 WeakPolarHBondContact CA-O 3.46Å; G536-P541 WeakPolarHBondContact CA-O 3.31Å; G536-P541 PolarHBondContact N-O 3.36Å; G536-A543 WeakPolarHBondContact CA-O 3.49Å
537S65.4Low73.8Confident4 Ų428.2 Ų28.23%0.02817%0.167CC..BIsolated β-bridgetrans-77.8174.9-179.7720000112.9H523 L539 D540H523-S537 PolarHBondContact ND1-OG 3.48Å; S537-L539 PolarHBondContact O-N 2.91Å; S537-L539 PolarHBondContact OG-N 3.33Å; S537-D540 PolarHBondContact N-O 3.5Å; S537-D540 CarbonylContact O-C 3.53Å; S537-D540 PolarHBondContact O-N 2.81Å; S537-D540 VanDerWaalsContact O-N 3.17Å
538P62.6Low74Confident51 Ų5130.1 Ų30.133%0.33118%0.18SC..THydrogen-bonded Turntrans-56.4-21.5173.5-27.437.1000116R509R509-P538 PolarHBondContact NH1-O 3.26Å
539L68.6Low74.4Confident13 Ų1330.1 Ų30.17%0.06818%0.181CC..THydrogen-bonded Turntrans-69.9-46.1175.7-17667.7000112.7T507 R509 N518 H523 S537T507-L539 HydrophobicContact CG2-CD1 4.08Å; T507-L539 HydrophobicContact CG2-CG 4.27Å; R509-L539 HydrophobicContact CB-CD1 4.16Å; N518-L539 HydrophobicContact CB-CB 4.46Å; N518-L539 HydrophobicContact CB-CD1 4.22Å; N518-L539 WeakPolarHBondContact O-CD1 3.47Å; H523-L539 HydrophobicContact CB-CB 4.39Å; H523-L539 HydrophobicContact CB-CD2 3.97Å; S537-L539 PolarHBondContact O-N 2.91Å; S537-L539 PolarHBondContact OG-N 3.33Å
540D68.6Low74.8Confident44 Ų4428.7 Ų28.724%0.23518%0.177CC..BIsolated β-bridgetrans-152.7110.6179.6-176.8-21.7000108.7L504 G536 S537 T542 A543L504-D540 HydrophobicContact CD1-CB 4.24Å; G536-D540 CarbonylContact C-O 3.58Å; G536-D540 WeakPolarHBondContact CA-O 3.46Å; S537-D540 PolarHBondContact N-O 3.5Å; S537-D540 CarbonylContact O-C 3.53Å; S537-D540 PolarHBondContact O-N 2.81Å; S537-D540 VanDerWaalsContact O-N 3.17Å; D540-T542 PolarHBondContact O-N 3.2Å; D540-T542 VanDerWaalsContact O-N 3.16Å; D540-T542 WeakPolarHBondContact OD1-CA 3.46Å; D540-T542 WeakPolarHBondContact OD1-CB 3.32Å; D540-T542 PolarHBondContact OD1-N 3.42Å; D540-T542 PolarHBondContact OD1-OG1 2.89Å; D540-T542 PolarHBondContact OD2-OG1 3.49Å; D540-A543 HydrophobicContact CB-CB 4.03Å; D540-A543 PolarHBondContact O-N 3.43Å
541P66Low75.4Confident95 Ų9530.8 Ų30.862%0.61719%0.186SC*.THydrogen-bonded Turntrans-64-13.7179.3-24.535.3000115.3G536G536-P541 WeakPolarHBondContact CA-O 3.31Å; G536-P541 PolarHBondContact N-O 3.36Å
542T69.7Low75.7Confident120 Ų12032.4 Ų32.474%0.73620%0.196SC*.THydrogen-bonded Turntrans-92.2-21.2-179.673.10000113.3D540 G544D540-T542 PolarHBondContact O-N 3.2Å; D540-T542 VanDerWaalsContact O-N 3.16Å; D540-T542 WeakPolarHBondContact OD1-CA 3.46Å; D540-T542 WeakPolarHBondContact OD1-CB 3.32Å; D540-T542 PolarHBondContact OD1-N 3.42Å; D540-T542 PolarHBondContact OD1-OG1 2.89Å; D540-T542 PolarHBondContact OD2-OG1 3.49Å; T542-G544 PolarHBondContact O-N 3.33Å
543A71.7Confident76.4Confident7 Ų729.6 Ų29.66%0.05818%0.181CC..  trans-88.293.6-176.800000112.2L504 H523 G536 D540L504-A543 HydrophobicContact CD1-CB 3.72Å; L504-A543 HydrophobicContact CD2-CB 3.69Å; L504-A543 HydrophobicContact CG-CB 4.34Å; H523-A543 PolarHBondContact CE1-O 2.98Å; G536-A543 WeakPolarHBondContact CA-O 3.49Å; D540-A543 HydrophobicContact CB-CB 4.03Å; D540-A543 PolarHBondContact O-N 3.43Å
544G79.8Confident77Confident12 Ų1231.3 Ų31.312%0.12419%0.19CC..  trans-67.6176.8173.900000114Q499 T542Q499-G544 PolarHBondContact NE2-O 2.99Å; T542-G544 PolarHBondContact O-N 3.33Å
545C85.4Confident77.8Confident0 Ų030.1 Ų30.10%018%0.183CC..SBendtrans-1012.6-173.9-63.30000115C527 A530 S533C527-C545 WeakPolarHBondContact CA-SG 3.29Å; C527-C545 HydrophobicContact CB-CB 3.58Å; C527-C545 WeakPolarHBondContact CB-SG 3.28Å; C527-C545 VanDerWaalsContact SG-CA 3.53Å; C527-C545 WeakPolarHBondContact SG-CB 3.12Å; C527-C545 CovalentContact SG-SG 2.04Å; C527-C545 PolarHBondContact SG-SG 3.44Å; A530-C545 WeakPolarHBondContact O-CB 3.2Å; S533-C545 PolarHBondContact O-N 2.84Å
546L85.8Confident78.8Confident25 Ų2529.5 Ų29.513%0.13118%0.182CC..BIsolated β-bridgetrans-74.3145.8174.4-60.2-177.3000110.7Q499 T534 P552 P1152Q499-L546 PolarHBondContact NE2-O 3.28Å; T534-L546 HydrophobicContact CG2-CD1 3.68Å; T534-L546 HydrophobicContact CG2-CG 4.25Å; L546-P552 HydrophobicContact CD2-CB 4.04Å; L546-P1152 HydrophobicContact CD1-CB 4.25Å; L546-P1152 HydrophobicContact CD1-CG 4.06Å
547S89.4Confident80.2Confident5 Ų530 Ų304%0.03518%0.183CC..  trans-60.3167.917359.60000113.2E496 S549 G550 M551E496-S547 WeakPolarHBondContact O-CA 3.46Å; S547-S549 PolarHBondContact O-N 3.43Å; S547-S549 PolarHBondContact OG-N 2.86Å; S547-S549 PolarHBondContact OG-OG 3.33Å; S547-G550 PolarHBondContact O-N 3.33Å; S547-M551 WeakPolarHBondContact CB-O 3.3Å; S547-M551 PolarHBondContact N-O 2.88Å; S547-M551 PolarHBondContact OG-N 3.19Å; S547-M551 VanDerWaalsContact OG-N 3.11Å; S547-M551 PolarHBondContact OG-O 3.31Å
548S89.3Confident81.5Confident40 Ų4029.8 Ų29.828%0.2818%0.182SC..THydrogen-bonded Turntrans-55.4-22170.460.50000114N486 E496N486-S548 PolarHBondContact ND2-O 2.94Å; E496-S548 VanDerWaalsContact OE2-CB 3.29Å; E496-S548 WeakPolarHBondContact OE2-CB 3.11Å; E496-S548 PolarHBondContact OE2-N 3.25Å; E496-S548 PolarHBondContact OE2-OG 3.21Å
549S88.1Confident82.9Confident1 Ų127.4 Ų27.41%0.00717%0.166CC..THydrogen-bonded Turntrans-85.2-7174.574.70000115C489 S547 M551C489-S549 WeakPolarHBondContact O-CB 3.26Å; S547-S549 PolarHBondContact O-N 3.43Å; S547-S549 PolarHBondContact OG-N 2.86Å; S547-S549 PolarHBondContact OG-OG 3.33Å; S549-M551 VanDerWaalsContact C-N 3.31Å; S549-M551 WeakPolarHBondContact OG-CG 3.44Å; S549-M551 PolarHBondContact OG-N 3.08Å
550G84.3Confident83.9Confident11 Ų1126.8 Ų26.811%0.11316%0.163CC..SBendtrans79.36.2-171.700000114.8S547S547-G550 PolarHBondContact O-N 3.33Å
551M84.8Confident84.8Confident52 Ų5226.4 Ų26.426%0.25616%0.164SC..  trans-84.6142.6173-67.9-65-68.800112P481 S547 S549 A1162P481-M551 HydrophobicContact CB-CG 4.28Å; P481-M551 HydrophobicContact CB-SD 3.85Å; P481-M551 HydrophobicContact CG-CG 3.54Å; P481-M551 HydrophobicContact CG-SD 3.8Å; S547-M551 WeakPolarHBondContact CB-O 3.3Å; S547-M551 PolarHBondContact N-O 2.88Å; S547-M551 PolarHBondContact OG-N 3.19Å; S547-M551 VanDerWaalsContact OG-N 3.11Å; S547-M551 PolarHBondContact OG-O 3.31Å; S549-M551 VanDerWaalsContact C-N 3.31Å; S549-M551 WeakPolarHBondContact OG-CG 3.44Å; S549-M551 PolarHBondContact OG-N 3.08Å; M551-A1162 HydrophobicContact SD-CB 3.94Å
552P83.9Confident85.7Confident35 Ų3522.3 Ų22.323%0.22714%0.136CC..BIsolated β-bridgetrans-69.9131168.730-34.6000110.8P531 L532 L546P531-P552 WeakPolarHBondContact O-CA 3.37Å; P531-P552 WeakPolarHBondContact O-CB 3.49Å; L532-P552 HydrophobicContact CD2-CB 3.75Å; L532-P552 HydrophobicContact CD2-CG 3.84Å; L532-P552 HydrophobicContact CG-CB 4.15Å; L546-P552 HydrophobicContact CD2-CB 4.04Å
553V88.5Confident86.1Confident1 Ų122.2 Ų22.21%0.00613%0.131CC..  trans-93.9101.3177.6-178.40000108.9E496 Y497 P531 A558E496-V553 HydrophobicContact CB-CG2 3.99Å; Y497-V553 HydrophobicContact CD1-CB 4.24Å; Y497-V553 HydrophobicContact CE1-CB 3.71Å; Y497-V553 HydrophobicContact CE1-CG1 4.13Å; Y497-V553 VanDerWaalsContact CE1-O 3.23Å; Y497-V553 WeakPolarHBondContact CE1-O 3.47Å; Y497-V553 PolarHBondContact OH-O 2.96Å; P531-V553 VanDerWaalsContact CB-O 3.29Å; P531-V553 WeakPolarHBondContact CB-O 3.28Å; V553-A558 HydrophobicContact CG1-CB 3.67Å
554L87Confident86.1Confident43 Ų4326.4 Ų26.423%0.22517%0.166CC..  trans-66.2133.8177.1-60.6178.8000110.1P531 Q556 V557 Y1189P531-L554 HydrophobicContact CG-CD2 4.28Å; L554-Q556 PolarHBondContact O-N 3.32Å; L554-Q556 VanDerWaalsContact O-N 3.13Å; L554-V557 HydrophobicContact CB-CG2 4.27Å; L554-V557 VanDerWaalsContact O-CG2 3.26Å; L554-V557 WeakPolarHBondContact O-CG2 3.39Å; L554-V557 PolarHBondContact O-N 3.34Å; L554-V557 VanDerWaalsContact O-N 3.12Å; L554-Y1189 HydrophobicContact CD1-CE2 4.11Å
555P88.3Confident85.7Confident1 Ų130 Ų301%0.00619%0.189CC..Hα-helixtrans-61-30.7-174.324.4-34.9000112.3Y497 T528 V557 A558 L559 Y567Y497-P555 WeakPolarHBondContact OH-CA 3.47Å; T528-P555 HydrophobicContact CG2-CB 3.97Å; P555-V557 VanDerWaalsContact C-N 3.25Å; P555-V557 PolarHBondContact O-N 2.82Å; P555-A558 PolarHBondContact O-N 3.35Å; P555-L559 HydrophobicContact CB-CD1 4.48Å; P555-L559 WeakPolarHBondContact O-CB 3.24Å; P555-L559 PolarHBondContact O-N 2.92Å; P555-Y567 HydrophobicContact CB-CD1 3.94Å; P555-Y567 HydrophobicContact CB-CD2 4.29Å; P555-Y567 HydrophobicContact CB-CE1 3.89Å; P555-Y567 HydrophobicContact CB-CE2 4.24Å; P555-Y567 HydrophobicContact CB-CG 4.16Å; P555-Y567 HydrophobicContact CG-CD1 4.34Å; P555-Y567 HydrophobicContact CG-CD2 4.34Å; P555-Y567 HydrophobicContact CG-CE1 3.81Å; P555-Y567 HydrophobicContact CG-CE2 3.81Å
556Q87.3Confident85.4Confident49 Ų4934.5 Ų34.523%0.22921%0.209CC..Hα-helixtrans-73.9-10.8-177.4-4384.40.700114.3L554 F562 Y567 V1030L554-Q556 PolarHBondContact O-N 3.32Å; L554-Q556 VanDerWaalsContact O-N 3.13Å; Q556-F562 HydrophobicContact CB-CZ 4.11Å; Q556-F562 HydrophobicContact CG-CZ 3.98Å; Q556-Y567 HydrophobicContact CG-CE1 4.35Å; Q556-Y567 PolarHBondContact NE2-OH 3.29Å; Q556-V1030 HydrophobicContact CB-CG1 3.79Å
557V89.8Confident85.3Confident21 Ų2134.6 Ų34.613%0.12721%0.208CC..Hα-helixtrans-104.2-10.2174.2-56.30000113.9T492 L554 P555 V1030 Y1189T492-V557 HydrophobicContact CG2-CG2 4.12Å; L554-V557 HydrophobicContact CB-CG2 4.27Å; L554-V557 VanDerWaalsContact O-CG2 3.26Å; L554-V557 WeakPolarHBondContact O-CG2 3.39Å; L554-V557 PolarHBondContact O-N 3.34Å; L554-V557 VanDerWaalsContact O-N 3.12Å; P555-V557 VanDerWaalsContact C-N 3.25Å; P555-V557 PolarHBondContact O-N 2.82Å; V557-V1030 HydrophobicContact CG1-CG2 3.96Å; V557-Y1189 HydrophobicContact CG1-CE1 4.13Å
558A92.8Very high84.9Confident0 Ų035.3 Ų35.30%021%0.211CC..Hα-helixtrans-111.9-24.7179.500000113.6P494 V553 P555 V574P494-A558 HydrophobicContact CG-CB 4.32Å; P494-A558 WeakPolarHBondContact CG-O 3.38Å; V553-A558 HydrophobicContact CG1-CB 3.67Å; P555-A558 PolarHBondContact O-N 3.35Å; A558-V574 PolarHBondContact O-N 2.77Å
559L92.6Very high84.7Confident0 Ų034.1 Ų34.10%021%0.205CC..EExtended strand (participates in β ladder)trans-112.3156.9179.5-63.8179.1000111.6L443 P494 T528 P555 F562 S570 V573L443-L559 HydrophobicContact CD2-CD2 3.72Å; P494-L559 HydrophobicContact CB-CD2 4.31Å; P494-L559 HydrophobicContact CG-CD2 3.59Å; P494-L559 HydrophobicContact CG-CG 4.49Å; T528-L559 HydrophobicContact CG2-CD1 3.73Å; P555-L559 HydrophobicContact CB-CD1 4.48Å; P555-L559 WeakPolarHBondContact O-CB 3.24Å; P555-L559 PolarHBondContact O-N 2.92Å; L559-F562 HydrophobicContact CB-CD1 4.06Å; L559-F562 HydrophobicContact CB-CE1 4.1Å; L559-F562 WeakPolarHBondContact O-CE1 3.28Å; L559-S570 WeakPolarHBondContact CB-OG 3.36Å; L559-V573 HydrophobicContact CD2-CG2 4.49Å
560G90.1Very high84.8Confident0 Ų034.1 Ų34.10%021%0.205CC..EExtended strand (participates in β ladder)trans-144.5155.3-17500000113.8F562 S570 A571 A572 D1027G560-F562 PolarHBondContact O-N 2.85Å; G560-S570 PolarHBondContact N-OG 3.16Å; G560-S570 VanDerWaalsContact N-OG 3.15Å; G560-S570 WeakPolarHBondContact O-CA 3.27Å; G560-S570 PolarHBondContact O-OG 3.13Å; G560-A571 PolarHBondContact O-N 2.6Å; G560-A571 VanDerWaalsContact O-N 3.14Å; G560-A572 PolarHBondContact N-O 3.36Å; G560-A572 PolarHBondContact O-N 3.28Å; G560-A572 VanDerWaalsContact O-N 3.11Å; G560-D1027 CarbonylContact C-O 3.56Å; G560-D1027 WeakPolarHBondContact CA-O 3.39Å
561S86.9Confident85.1Confident37 Ų3734 Ų3426%0.25920%0.203SC..SBendtrans64.214177-165.10000116.1D1027 R1029S561-D1027 PolarHBondContact N-O 3.38Å; S561-R1029 VanDerWaalsContact C-NH2 3.33Å; S561-R1029 PolarHBondContact O-NH2 3.36Å
562F85.1Confident85.5Confident9 Ų931.6 Ų31.64%0.03919%0.191CC..  trans-75.6171.8171.261.7-95.6000112.8Q556 L559 G560 A564 F566 Y567 R1029Q556-F562 HydrophobicContact CB-CZ 4.11Å; Q556-F562 HydrophobicContact CG-CZ 3.98Å; L559-F562 HydrophobicContact CB-CD1 4.06Å; L559-F562 HydrophobicContact CB-CE1 4.1Å; L559-F562 WeakPolarHBondContact O-CE1 3.28Å; G560-F562 PolarHBondContact O-N 2.85Å; F562-A564 WeakPolarHBondContact CD2-O 3.44Å; F562-A564 VanDerWaalsContact CE2-O 3.29Å; F562-A564 WeakPolarHBondContact CE2-O 3.46Å; F562-F566 WeakPolarHBondContact CB-O 3.14Å; F562-Y567 HydrophobicContact CD1-CD1 4.36Å; F562-Y567 AromaticContact CD2-CD1 3.89Å; F562-Y567 HydrophobicContact CD2-CD1 3.89Å; F562-Y567 HydrophobicContact CD2-CE1 4.15Å; F562-Y567 HydrophobicContact CE1-CD1 4.31Å; F562-Y567 AromaticContact CE2-CD1 3.84Å; F562-Y567 HydrophobicContact CE2-CD1 3.84Å; F562-Y567 AromaticContact CE2-CE1 3.69Å; F562-Y567 HydrophobicContact CE2-CE1 3.69Å; F562-Y567 HydrophobicContact CG-CD1 4.17Å; F562-Y567 HydrophobicContact CZ-CD1 4.07Å; F562-Y567 AromaticContact CZ-CE1 3.94Å; F562-Y567 HydrophobicContact CZ-CE1 3.94Å; F562-R1029 HydrophobicContact CD1-CG 4.12Å; F562-R1029 HydrophobicContact CD2-CG 4.43Å; F562-R1029 HydrophobicContact CE1-CB 3.94Å; F562-R1029 HydrophobicContact CE1-CG 3.73Å; F562-R1029 HydrophobicContact CE2-CB 4.23Å; F562-R1029 HydrophobicContact CE2-CG 4.06Å; F562-R1029 HydrophobicContact CG-CG 4.45Å; F562-R1029 HydrophobicContact CZ-CB 3.61Å; F562-R1029 HydrophobicContact CZ-CG 3.69Å; F562-R1029 VanDerWaalsContact O-CZ 3.28Å; F562-R1029 PolarHBondContact O-NE 2.83Å; F562-R1029 PolarHBondContact O-NH2 3.49Å
563N78Confident86Confident117 Ų11729.9 Ų29.963%0.62618%0.18SC*.BIsolated β-bridgetrans-119.4126.3178.9-77.2-20.8000111.6S565 F566N563-S565 PolarHBondContact O-N 2.66Å; N563-F566 VanDerWaalsContact O-CB 3.32Å; N563-F566 WeakPolarHBondContact O-CB 3.46Å; N563-F566 PolarHBondContact O-N 2.85Å
564A72Confident86.3Confident96 Ų9629.9 Ų29.979%0.79318%0.18SC*.THydrogen-bonded Turntrans48.6-118.3-175.900000112.1F562F562-A564 WeakPolarHBondContact CD2-O 3.44Å; F562-A564 VanDerWaalsContact CE2-O 3.29Å; F562-A564 WeakPolarHBondContact CE2-O 3.46Å
565S69.8Low86.7Confident86 Ų8627.8 Ų27.860%0.60117%0.169SC*.THydrogen-bonded Turntrans-93.20.3176.149.10000114.5N563 Y567N563-S565 PolarHBondContact O-N 2.66Å; S565-Y567 VanDerWaalsContact C-N 3.27Å; S565-Y567 WeakPolarHBondContact O-CD2 3.3Å; S565-Y567 PolarHBondContact O-N 2.78Å
566F79.1Confident87Confident95 Ų9528.3 Ų28.342%0.41717%0.172SC..BIsolated β-bridgetrans-79.869.4-176-174.8-111.7000111.8L438 F562 N563 N568 G569L438-F566 WeakPolarHBondContact O-CZ 3.47Å; F562-F566 WeakPolarHBondContact CB-O 3.14Å; N563-F566 VanDerWaalsContact O-CB 3.32Å; N563-F566 WeakPolarHBondContact O-CB 3.46Å; N563-F566 PolarHBondContact O-N 2.85Å; F566-N568 HydrophobicContact CD2-CB 4.42Å; F566-N568 HydrophobicContact CE1-CB 4.46Å; F566-N568 HydrophobicContact CE2-CB 3.91Å; F566-N568 HydrophobicContact CZ-CB 3.93Å; F566-N568 PolarHBondContact O-N 2.9Å; F566-G569 PolarHBondContact O-N 3.44Å; F566-G569 VanDerWaalsContact O-N 3.12Å
567Y83.7Confident87.4Confident28 Ų2826 Ų2611%0.1116%0.161CC..G310 helixtrans-61-29.6-177.1-54.7-54.8000113.1P555 Q556 F562 S565 G569 S570P555-Y567 HydrophobicContact CB-CD1 3.94Å; P555-Y567 HydrophobicContact CB-CD2 4.29Å; P555-Y567 HydrophobicContact CB-CE1 3.89Å; P555-Y567 HydrophobicContact CB-CE2 4.24Å; P555-Y567 HydrophobicContact CB-CG 4.16Å; P555-Y567 HydrophobicContact CG-CD1 4.34Å; P555-Y567 HydrophobicContact CG-CD2 4.34Å; P555-Y567 HydrophobicContact CG-CE1 3.81Å; P555-Y567 HydrophobicContact CG-CE2 3.81Å; Q556-Y567 HydrophobicContact CG-CE1 4.35Å; Q556-Y567 PolarHBondContact NE2-OH 3.29Å; F562-Y567 HydrophobicContact CD1-CD1 4.36Å; F562-Y567 AromaticContact CD2-CD1 3.89Å; F562-Y567 HydrophobicContact CD2-CD1 3.89Å; F562-Y567 HydrophobicContact CD2-CE1 4.15Å; F562-Y567 HydrophobicContact CE1-CD1 4.31Å; F562-Y567 AromaticContact CE2-CD1 3.84Å; F562-Y567 HydrophobicContact CE2-CD1 3.84Å; F562-Y567 AromaticContact CE2-CE1 3.69Å; F562-Y567 HydrophobicContact CE2-CE1 3.69Å; F562-Y567 HydrophobicContact CG-CD1 4.17Å; F562-Y567 HydrophobicContact CZ-CD1 4.07Å; F562-Y567 AromaticContact CZ-CE1 3.94Å; F562-Y567 HydrophobicContact CZ-CE1 3.94Å; S565-Y567 VanDerWaalsContact C-N 3.27Å; S565-Y567 WeakPolarHBondContact O-CD2 3.3Å; S565-Y567 PolarHBondContact O-N 2.78Å; Y567-G569 PolarHBondContact O-N 3.13Å; Y567-G569 VanDerWaalsContact O-N 3.12Å; Y567-S570 VanDerWaalsContact O-CB 3.23Å; Y567-S570 WeakPolarHBondContact O-CB 3.37Å; Y567-S570 PolarHBondContact O-N 2.83Å
568N82.4Confident87.7Confident20 Ų2027 Ų2711%0.10717%0.166CC..G310 helixtrans-54-32.5175.1-46.448000111.5F439 G440 L443 L525 F566 S570F439-N568 CarbonylContact C-O 3.06Å; F439-N568 WeakPolarHBondContact CA-O 3.4Å; F439-N568 HydrophobicContact CD1-CB 4.11Å; F439-N568 HydrophobicContact CE1-CB 4.07Å; G440-N568 PolarHBondContact N-O 3.34Å; L443-N568 WeakPolarHBondContact CD1-O 3.38Å; L525-N568 WeakPolarHBondContact CD1-OD1 3.2Å; F566-N568 HydrophobicContact CD2-CB 4.42Å; F566-N568 HydrophobicContact CE1-CB 4.46Å; F566-N568 HydrophobicContact CE2-CB 3.91Å; F566-N568 HydrophobicContact CZ-CB 3.93Å; F566-N568 PolarHBondContact O-N 2.9Å; N568-S570 PolarHBondContact O-N 3.49Å
569G83.9Confident87.8Confident15 Ų1527 Ų2716%0.15517%0.166CC..G310 helixtrans-761217700000115.8F566 Y567 A571F566-G569 PolarHBondContact O-N 3.44Å; F566-G569 VanDerWaalsContact O-N 3.12Å; Y567-G569 PolarHBondContact O-N 3.13Å; Y567-G569 VanDerWaalsContact O-N 3.12Å; G569-A571 PolarHBondContact O-N 2.86Å
570S89.9Confident87.8Confident0 Ų029.1 Ų29.10%018%0.177CC..  trans-64.2113.1-176.8-166.90000112.5G440 G442 L559 G560 Y567 N568 A572G440-S570 CarbonylContact C-O 3.51Å; G440-S570 WeakPolarHBondContact CA-O 3.37Å; G442-S570 WeakPolarHBondContact CA-O 3.36Å; G442-S570 PolarHBondContact N-O 3.4Å; L559-S570 WeakPolarHBondContact CB-OG 3.36Å; G560-S570 PolarHBondContact N-OG 3.16Å; G560-S570 VanDerWaalsContact N-OG 3.15Å; G560-S570 WeakPolarHBondContact O-CA 3.27Å; G560-S570 PolarHBondContact O-OG 3.13Å; Y567-S570 VanDerWaalsContact O-CB 3.23Å; Y567-S570 WeakPolarHBondContact O-CB 3.37Å; Y567-S570 PolarHBondContact O-N 2.83Å; N568-S570 PolarHBondContact O-N 3.49Å; S570-A572 PolarHBondContact OG-O 3.02Å
571A90.4Very high87.9Confident10 Ų1031.2 Ų31.28%0.08319%0.188CC..  trans-93.7-10.1177.400000113.6N422 G560 G569N422-A571 WeakPolarHBondContact OD1-CB 3.48Å; G560-A571 PolarHBondContact O-N 2.6Å; G560-A571 VanDerWaalsContact O-N 3.14Å; G569-A571 PolarHBondContact O-N 2.86Å
572A92.8Very high88Confident0 Ų032.3 Ų32.30%019%0.191CC..EExtended strand (participates in β ladder)trans-133.2159.4177.300000111.2L417 R418 G560 S570 D1027L417-A572 CarbonylContact O-C 3.47Å; L417-A572 WeakPolarHBondContact O-CA 3.36Å; R418-A572 HydrophobicContact CB-CB 4.07Å; G560-A572 PolarHBondContact N-O 3.36Å; G560-A572 PolarHBondContact O-N 3.28Å; G560-A572 VanDerWaalsContact O-N 3.11Å; S570-A572 PolarHBondContact OG-O 3.02Å; A572-D1027 HydrophobicContact CB-CB 3.95Å
573V94.5Very high87.9Confident0 Ų035.7 Ų35.70%021%0.214CC..EExtended strand (participates in β ladder)trans-125.5139176.2167.20000109L417 G442 F447 L448 V451 P494 L559 L575L417-V573 PolarHBondContact N-O 2.8Å; L417-V573 PolarHBondContact O-N 3.22Å; G442-V573 VanDerWaalsContact O-CG2 3.27Å; G442-V573 WeakPolarHBondContact O-CG2 3.28Å; F447-V573 HydrophobicContact CE1-CB 4.12Å; F447-V573 HydrophobicContact CE1-CG2 3.84Å; L448-V573 HydrophobicContact CD2-CG2 4.13Å; V451-V573 HydrophobicContact CG1-CG1 4.23Å; P494-V573 VanDerWaalsContact CD-CG1 3.47Å; P494-V573 HydrophobicContact CG-CB 4.49Å; P494-V573 HydrophobicContact CG-CG1 3.71Å; P494-V573 HydrophobicContact CG-CG2 4.09Å; L559-V573 HydrophobicContact CD2-CG2 4.49Å; V573-L575 HydrophobicContact CG1-CD1 4.06Å
574V95.1Very high88.2Confident0 Ų033.9 Ų33.90%020%0.204CC..EExtended strand (participates in β ladder)trans-114128.6179.7-173.10000108.7Q414 I415 I416 A558 L1028Q414-V574 HydrophobicContact CG-CG1 3.86Å; I415-V574 WeakPolarHBondContact O-CA 3.47Å; I416-V574 HydrophobicContact CG1-CG2 4.46Å; A558-V574 PolarHBondContact O-N 2.77Å; V574-L1028 HydrophobicContact CG1-CD1 4.45Å; V574-L1028 HydrophobicContact CG2-CD1 3.99Å
575L95.5Very high88.5Confident0 Ų032.9 Ų32.90%019%0.19CC..EExtended strand (participates in β ladder)trans-112.6127.2170.9-63.287.7000107.5Q414 I415 L417 V451 Q455 T492 V573 F577Q414-L575 CarbonylContact C-O 3.58Å; Q414-L575 VanDerWaalsContact CA-O 3.31Å; Q414-L575 WeakPolarHBondContact CA-O 3.43Å; I415-L575 HydrophobicContact CB-CB 4.43Å; I415-L575 PolarHBondContact N-O 3.03Å; I415-L575 PolarHBondContact O-N 2.93Å; L417-L575 HydrophobicContact CD1-CD1 3.48Å; L417-L575 VanDerWaalsContact CD1-CD1 3.48Å; L417-L575 HydrophobicContact CG-CD1 3.97Å; V451-L575 HydrophobicContact CG1-CD1 3.78Å; V451-L575 HydrophobicContact CG1-CD2 3.84Å; V451-L575 HydrophobicContact CG1-CG 4.14Å; Q455-L575 HydrophobicContact CB-CD2 4.05Å; T492-L575 WeakPolarHBondContact O-CA 3.16Å; V573-L575 HydrophobicContact CG1-CD1 4.06Å; L575-F577 HydrophobicContact CB-CE2 4.41Å
576T95.9Very high89Confident11 Ų1136.9 Ų36.97%0.06720%0.197CC..EExtended strand (participates in β ladder)trans-129128.7173.8-47.40000109.9I412 E413 Q414 I491 T492 L578I412-T576 HydrophobicContact CG2-CG2 3.57Å; E413-T576 WeakPolarHBondContact O-CA 3.41Å; Q414-T576 HydrophobicContact CB-CG2 4.42Å; Q414-T576 PolarHBondContact NE2-OG1 2.79Å; I491-T576 WeakPolarHBondContact CA-O 3.41Å; T492-T576 PolarHBondContact N-O 3.3Å; T492-T576 PolarHBondContact O-N 3.14Å; T492-T576 WeakPolarHBondContact OG1-CB 3.4Å; T576-L578 HydrophobicContact CG2-CD2 4.13Å
577F95.7Very high89.5Confident1 Ų133.1 Ų33.10%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-105133.1170.9-57.1-100.1000108.2E413 Q455 I458 Q459 L474 I491 L575E413-F577 HydrophobicContact CB-CB 4.28Å; E413-F577 PolarHBondContact N-O 2.69Å; E413-F577 PolarHBondContact O-N 2.74Å; Q455-F577 HydrophobicContact CG-CZ 4.39Å; I458-F577 HydrophobicContact CB-CE1 4.26Å; I458-F577 HydrophobicContact CB-CE2 4.49Å; I458-F577 HydrophobicContact CB-CZ 3.87Å; I458-F577 HydrophobicContact CD1-CE2 3.91Å; I458-F577 HydrophobicContact CD1-CZ 3.93Å; I458-F577 HydrophobicContact CG2-CD1 4.22Å; I458-F577 HydrophobicContact CG2-CD2 4.42Å; I458-F577 HydrophobicContact CG2-CE1 3.67Å; I458-F577 HydrophobicContact CG2-CE2 3.92Å; I458-F577 HydrophobicContact CG2-CZ 3.52Å; Q459-F577 HydrophobicContact CG-CE1 4.29Å; L474-F577 HydrophobicContact CD2-CD1 3.98Å; L474-F577 HydrophobicContact CD2-CE1 4.41Å; I491-F577 HydrophobicContact CD1-CD1 3.78Å; I491-F577 HydrophobicContact CD1-CE1 3.78Å; I491-F577 HydrophobicContact CG1-CD1 3.72Å; I491-F577 HydrophobicContact CG1-CE1 4.14Å; I491-F577 HydrophobicContact CG2-CD1 4.31Å; I491-F577 HydrophobicContact CG2-CE1 4.24Å; L575-F577 HydrophobicContact CB-CE2 4.41Å
578L94.5Very high89.8Confident41 Ų4136.4 Ų36.422%0.21520%0.2CC..EExtended strand (participates in β ladder)trans-103.6118.4178.4-59.7-178.4000110.8I412 C478 F479 A490 T576I412-L578 HydrophobicContact CG1-CD2 4.15Å; C478-L578 CarbonylContact C-O 3.59Å; C478-L578 WeakPolarHBondContact CA-O 3.39Å; F479-L578 HydrophobicContact CB-CB 4.17Å; F479-L578 PolarHBondContact N-O 3.17Å; A490-L578 HydrophobicContact CB-CB 4.28Å; A490-L578 HydrophobicContact CB-CD1 4.06Å; A490-L578 PolarHBondContact O-N 2.7Å; A490-L578 VanDerWaalsContact O-N 3.14Å; T576-L578 HydrophobicContact CG2-CD2 4.13Å
579V94.7Very high90.1Very high0 Ų038 Ų380%021%0.207CC..EExtended strand (participates in β ladder)trans-109.7139.2178.11700000109.9R411 E413 L474 I477 A593R411-V579 HydrophobicContact CB-CB 4.09Å; R411-V579 HydrophobicContact CB-CG1 4.34Å; R411-V579 PolarHBondContact N-O 2.93Å; R411-V579 PolarHBondContact O-N 3.05Å; E413-V579 WeakPolarHBondContact OE2-CG2 3.44Å; L474-V579 HydrophobicContact CD1-CG2 4.21Å; I477-V579 HydrophobicContact CB-CG1 4.12Å; I477-V579 HydrophobicContact CD1-CG1 4.12Å; I477-V579 HydrophobicContact CD1-CG2 4.21Å; I477-V579 HydrophobicContact CG1-CG1 4.24Å; I477-V579 HydrophobicContact CG1-CG2 4.37Å; V579-A593 HydrophobicContact CG1-CB 3.78Å
580N93.2Very high90.4Very high46 Ų4637.5 Ų37.525%0.24620%0.201CC..  trans-67.5145.9-178.9-59.4-65.6000111I477 C478 F479I477-N580 PolarHBondContact O-N 3.09Å; I477-N580 PolarHBondContact O-ND2 2.75Å; C478-N580 PolarHBondContact O-ND2 3.21Å; F479-N580 WeakPolarHBondContact CA-OD1 3.25Å
581N92.6Very high90.5Very high43 Ų4340.8 Ų40.823%0.2322%0.216CC..  trans-114.2169.1178.6-152.8-1.5000110.6A408 F409 R411A408-N581 HydrophobicContact CB-CB 3.97Å; F409-N581 WeakPolarHBondContact O-CB 3.48Å; F409-N581 PolarHBondContact O-ND2 3.46Å; R411-N581 HydrophobicContact CG-CB 3.85Å
582N89.5Confident90.6Very high61 Ų6142.2 Ų42.233%0.32622%0.221SC..  trans-134.8138.9177.8-164.6-57.7000110.1D584 S587 V590N582-D584 PolarHBondContact O-N 3.01Å; N582-D584 PolarHBondContact OD1-N 2.94Å; N582-S587 WeakPolarHBondContact CB-OG 3.41Å; N582-S587 VanDerWaalsContact CG-OG 3.26Å; N582-V590 HydrophobicContact CB-CG2 3.7Å
583P82.9Confident90.7Very high79 Ų7942.2 Ų42.251%0.51322%0.221SC..SBendtrans-57.1-26.9173.3-26.535.4000114.4D403 A408 P585D403-P583 HydrophobicContact CB-CG 4.27Å; A408-P583 HydrophobicContact CB-CG 4.03Å; P583-P585 WeakPolarHBondContact O-CD 3.26Å
584D83.9Confident90.6Very high79 Ų7944.8 Ų44.842%0.42223%0.232SC..  trans-92.5111.7168.517819.7000111.5N582 K586 S587N582-D584 PolarHBondContact O-N 3.01Å; N582-D584 PolarHBondContact OD1-N 2.94Å; D584-K586 PolarHBondContact O-N 3.29Å; D584-K586 WeakPolarHBondContact OD1-CB 3.48Å; D584-K586 PolarHBondContact OD1-N 3.32Å; D584-S587 VanDerWaalsContact O-CB 3.25Å; D584-S587 WeakPolarHBondContact O-CB 3.3Å; D584-S587 PolarHBondContact O-N 3.46Å; D584-S587 VanDerWaalsContact O-N 3.13Å; D584-S587 PolarHBondContact O-OG 2.94Å; D584-S587 PolarHBondContact OD2-N 2.6Å
585P77.7Confident90.5Very high76 Ų7647.5 Ų47.549%0.49425%0.246SC..THydrogen-bonded Turntrans-70.1-11.5176.831.1-36.7000113.7P583P583-P585 WeakPolarHBondContact O-CD 3.26Å
586K81.7Confident90.5Very high170 Ų17047.5 Ų47.574%0.73925%0.246SC*.THydrogen-bonded Turntrans-92.11.3173.1-62.3-175.6179.2179.90113D584D584-K586 PolarHBondContact O-N 3.29Å; D584-K586 WeakPolarHBondContact OD1-CB 3.48Å; D584-K586 PolarHBondContact OD1-N 3.32Å
587S88.2Confident90.5Very high16 Ų1647 Ų4711%0.11224%0.243CC..SBendtrans-65.8144.717865.60000112.4N582 D584 H589 V590 E591N582-S587 WeakPolarHBondContact CB-OG 3.41Å; N582-S587 VanDerWaalsContact CG-OG 3.26Å; D584-S587 VanDerWaalsContact O-CB 3.25Å; D584-S587 WeakPolarHBondContact O-CB 3.3Å; D584-S587 PolarHBondContact O-N 3.46Å; D584-S587 VanDerWaalsContact O-N 3.13Å; D584-S587 PolarHBondContact O-OG 2.94Å; D584-S587 PolarHBondContact OD2-N 2.6Å; S587-H589 PolarHBondContact O-N 3Å; S587-V590 PolarHBondContact O-N 3.44Å; S587-E591 PolarHBondContact O-N 3.29Å; S587-E591 VanDerWaalsContact O-N 3.16Å
588I90.4Very high90.5Very high96 Ų9649.7 Ų49.749%0.49226%0.262SS..Hα-helixtrans-55.2-29.8178.7-63.3166.3000111.7F465 K592F465-I588 HydrophobicContact CE1-CG2 3.93Å; F465-I588 HydrophobicContact CZ-CG2 4.11Å; I588-K592 HydrophobicContact CG2-CD 4.3Å; I588-K592 VanDerWaalsContact O-CG 3.3Å; I588-K592 WeakPolarHBondContact O-CG 3.48Å; I588-K592 PolarHBondContact O-N 2.82Å
589H89.3Confident90.5Very high55 Ų5550.9 Ų50.926%0.25527%0.265SS..Hα-helixtrans-68.3-43.4177.9-163.981.2000112.6S587 E591 K592 A593S587-H589 PolarHBondContact O-N 3Å; H589-E591 VanDerWaalsContact C-N 3.32Å; H589-K592 PolarHBondContact O-N 2.76Å; H589-A593 PolarHBondContact O-N 3.38Å
590V90.9Very high90.6Very high4 Ų450.9 Ų50.92%0.02427%0.265CS..Hα-helixtrans-68.6-33.9176.7173.50000111N582 S587 A593 K594N582-V590 HydrophobicContact CB-CG2 3.7Å; S587-V590 PolarHBondContact O-N 3.44Å; V590-A593 PolarHBondContact O-N 3.02Å; V590-K594 HydrophobicContact CG1-CD 4.48Å; V590-K594 HydrophobicContact CG1-CG 4.46Å; V590-K594 WeakPolarHBondContact O-CB 3.17Å; V590-K594 WeakPolarHBondContact O-CG 3.45Å; V590-K594 PolarHBondContact O-N 3.17Å
591E91.3Very high90.7Very high69 Ų6949.6 Ų49.632%0.32226%0.258SS..Hα-helixtrans-63-45.1172.6-171.1175.5-166.600112.1F465 K467 S587 H589 K594 L595F465-E591 HydrophobicContact CE2-CG 3.99Å; F465-E591 HydrophobicContact CZ-CG 4.36Å; K467-E591 WeakPolarHBondContact CD-OE2 3.27Å; K467-E591 VanDerWaalsContact CE-OE1 3.26Å; K467-E591 WeakPolarHBondContact CE-OE1 3.39Å; K467-E591 IonicContact NZ-OE1 2.71Å; K467-E591 PolarHBondContact NZ-OE1 3.16Å; K467-E591 IonicContact NZ-OE2 3.54Å; K467-E591 PolarHBondContact NZ-OE2 2.91Å; S587-E591 PolarHBondContact O-N 3.29Å; S587-E591 VanDerWaalsContact O-N 3.16Å; H589-E591 VanDerWaalsContact C-N 3.32Å; E591-K594 PolarHBondContact O-N 3.11Å; E591-L595 WeakPolarHBondContact O-CB 3.43Å; E591-L595 PolarHBondContact O-N 2.6Å
592K93Very high90.8Very high40 Ų4051.6 Ų51.617%0.17427%0.266CS..Hα-helixtrans-61.3-43.3173.8-72.9173.4176.6178.10112.5F465 E468 I472 I477 I588 H589 L595 W596F465-K592 HydrophobicContact CD1-CD 4.41Å; F465-K592 HydrophobicContact CD1-CG 3.99Å; F465-K592 HydrophobicContact CD2-CG 4.47Å; F465-K592 HydrophobicContact CE1-CD 4.3Å; F465-K592 VanDerWaalsContact CE1-CE 3.42Å; F465-K592 HydrophobicContact CE1-CG 3.87Å; F465-K592 HydrophobicContact CE2-CG 4.36Å; F465-K592 HydrophobicContact CG-CG 4.29Å; F465-K592 HydrophobicContact CZ-CG 4.05Å; E468-K592 VanDerWaalsContact CD-CE 3.47Å; E468-K592 WeakPolarHBondContact OE1-CE 3.49Å; E468-K592 IonicContact OE1-NZ 2.61Å; E468-K592 PolarHBondContact OE1-NZ 2.76Å; E468-K592 VanDerWaalsContact OE2-CE 3.28Å; E468-K592 WeakPolarHBondContact OE2-CE 3.5Å; E468-K592 IonicContact OE2-NZ 2.67Å; E468-K592 PolarHBondContact OE2-NZ 2.76Å; I472-K592 HydrophobicContact CD1-CB 3.75Å; I472-K592 HydrophobicContact CD1-CG 3.77Å; I472-K592 HydrophobicContact CG1-CB 4.39Å; I472-K592 HydrophobicContact CG1-CG 4.22Å; I477-K592 HydrophobicContact CG2-CB 4.19Å; I588-K592 HydrophobicContact CG2-CD 4.3Å; I588-K592 VanDerWaalsContact O-CG 3.3Å; I588-K592 WeakPolarHBondContact O-CG 3.48Å; I588-K592 PolarHBondContact O-N 2.82Å; H589-K592 PolarHBondContact O-N 2.76Å; K592-L595 PolarHBondContact O-N 2.68Å; K592-W596 PolarHBondContact O-N 3.09Å
593A93.9Very high91.1Very high0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-60.5-54.1176.100000111.1V579 H589 V590 L595 W596 E597V579-A593 HydrophobicContact CG1-CB 3.78Å; H589-A593 PolarHBondContact O-N 3.38Å; V590-A593 PolarHBondContact O-N 3.02Å; A593-L595 PolarHBondContact O-N 2.86Å; A593-L595 VanDerWaalsContact O-N 3.17Å; A593-W596 PolarHBondContact O-N 3.2Å; A593-E597 WeakPolarHBondContact O-CG 3.38Å; A593-E597 PolarHBondContact O-N 3.25Å
594K92.8Very high91.7Very high54 Ų5446.2 Ų46.224%0.23523%0.233CC..Hα-helixtrans-56-35.6177.5-79.8-170.8167.8-164.80113.1V590 E591 E597 S598 R622 E625V590-K594 HydrophobicContact CG1-CD 4.48Å; V590-K594 HydrophobicContact CG1-CG 4.46Å; V590-K594 WeakPolarHBondContact O-CB 3.17Å; V590-K594 WeakPolarHBondContact O-CG 3.45Å; V590-K594 PolarHBondContact O-N 3.17Å; E591-K594 PolarHBondContact O-N 3.11Å; K594-E597 PolarHBondContact N-OE1 3.4Å; K594-S598 PolarHBondContact O-N 3.41Å; K594-S598 VanDerWaalsContact O-N 3.14Å; K594-R622 HydrophobicContact CG-CB 4.44Å; K594-R622 WeakPolarHBondContact O-CD 3.45Å; K594-R622 PolarHBondContact O-NH1 3.48Å; K594-E625 IonicContact NZ-OE1 3.88Å; K594-E625 IonicContact NZ-OE2 2.71Å; K594-E625 PolarHBondContact NZ-OE2 3.26Å
595L93.5Very high92.2Very high57 Ų5748.4 Ų48.430%0.29824%0.239SC..Hα-helixtrans-70.6-39.9176.9179.757.1000112.3V463 F465 I472 E591 K592 A593V463-L595 HydrophobicContact CG1-CD1 3.9Å; V463-L595 HydrophobicContact CG1-CD2 4.2Å; V463-L595 HydrophobicContact CG1-CG 3.72Å; F465-L595 HydrophobicContact CB-CD2 4.38Å; F465-L595 HydrophobicContact CD2-CD2 3.71Å; I472-L595 HydrophobicContact CD1-CB 4.48Å; I472-L595 HydrophobicContact CD1-CD2 3.99Å; I472-L595 HydrophobicContact CD1-CG 4.43Å; E591-L595 WeakPolarHBondContact O-CB 3.43Å; E591-L595 PolarHBondContact O-N 2.6Å; K592-L595 PolarHBondContact O-N 2.68Å; A593-L595 PolarHBondContact O-N 2.86Å; A593-L595 VanDerWaalsContact O-N 3.17Å
596W95.6Very high93Very high0 Ų049.1 Ų49.10%024%0.235CC..Hα-helixtrans-67.1-45.8172.9-17690.9000112E413 I458 I461 L474 I477 K592 A593 S598 K599 Y600E413-W596 HydrophobicContact CG-CZ3 4.22Å; I458-W596 HydrophobicContact CG2-CH2 3.83Å; I458-W596 HydrophobicContact CG2-CZ2 3.94Å; I461-W596 HydrophobicContact CB-CZ2 4.38Å; I461-W596 HydrophobicContact CD1-CZ2 4.09Å; L474-W596 HydrophobicContact CB-CZ2 4.04Å; L474-W596 HydrophobicContact CD1-CH2 3.84Å; L474-W596 HydrophobicContact CD1-CZ2 3.77Å; L474-W596 HydrophobicContact CD1-CZ3 4.26Å; L474-W596 HydrophobicContact CD2-CZ2 4.3Å; L474-W596 HydrophobicContact CG-CZ2 4.24Å; I477-W596 HydrophobicContact CD1-CB 3.52Å; I477-W596 HydrophobicContact CD1-CD2 3.75Å; I477-W596 HydrophobicContact CD1-CE3 3.94Å; I477-W596 HydrophobicContact CD1-CG 3.54Å; K592-W596 PolarHBondContact O-N 3.09Å; A593-W596 PolarHBondContact O-N 3.2Å; W596-S598 PolarHBondContact O-N 3.07Å; W596-K599 PolarHBondContact O-N 3.26Å; W596-Y600 HydrophobicContact CH2-CD2 4.24Å; W596-Y600 HydrophobicContact CH2-CG 4.35Å; W596-Y600 HydrophobicContact CZ3-CG 4.24Å; W596-Y600 PolarHBondContact O-N 3.46Å
597E96Very high93.7Very high0 Ų041.4 Ų41.40%020%0.202CC..Hα-helixtrans-53-40.6175.1-73.1163.8-120.700111.9R411 E413 A593 K594 K599 Y600 L601 A620 R622R411-E597 IonicContact CZ-OE1 3.68Å; R411-E597 VanDerWaalsContact CZ-OE1 3.25Å; R411-E597 IonicContact CZ-OE2 2.97Å; R411-E597 IonicContact NE-OE1 3.51Å; R411-E597 PolarHBondContact NE-OE1 3.01Å; R411-E597 IonicContact NE-OE2 3.56Å; R411-E597 VanDerWaalsContact NH2-CD 3.27Å; R411-E597 IonicContact NH2-OE1 2.73Å; R411-E597 PolarHBondContact NH2-OE1 2.99Å; R411-E597 IonicContact NH2-OE2 3.63Å; R411-E597 PolarHBondContact NH2-OE2 2.85Å; E413-E597 HydrophobicContact CG-CG 4.21Å; A593-E597 WeakPolarHBondContact O-CG 3.38Å; A593-E597 PolarHBondContact O-N 3.25Å; K594-E597 PolarHBondContact N-OE1 3.4Å; E597-K599 PolarHBondContact O-N 3.07Å; E597-Y600 WeakPolarHBondContact O-CB 3.41Å; E597-Y600 PolarHBondContact O-N 2.74Å; E597-L601 WeakPolarHBondContact O-CG 3.37Å; E597-L601 PolarHBondContact O-N 2.69Å; E597-A620 HydrophobicContact CB-CB 4.12Å; E597-A620 HydrophobicContact CG-CB 4.21Å; E597-R622 HydrophobicContact CB-CG 3.91Å; E597-R622 VanDerWaalsContact OE2-CB 3.25Å; E597-R622 WeakPolarHBondContact OE2-CB 3.15Å; E597-R622 WeakPolarHBondContact OE2-CG 3.25Å; E597-R622 PolarHBondContact OE2-N 2.97Å
598S94.3Very high93.9Very high57 Ų5743.4 Ų43.440%0.39921%0.208SC..Hα-helixtrans-60.9-42176.7-174.80000112.3K594 W596 Q602K594-S598 PolarHBondContact O-N 3.41Å; K594-S598 VanDerWaalsContact O-N 3.14Å; W596-S598 PolarHBondContact O-N 3.07Å; S598-Q602 PolarHBondContact O-N 3.33Å; S598-Q602 VanDerWaalsContact O-N 3.15Å
599K94.8Very high94.1Very high67 Ų6744.7 Ų44.729%0.29122%0.216SC..Hα-helixtrans-74.4-32.9177.3-174.260.8-1651710112.5I461 V463 W596 E597 Q602 L603I461-K599 HydrophobicContact CG2-CB 4.1Å; I461-K599 HydrophobicContact CG2-CG 3.8Å; V463-K599 HydrophobicContact CG2-CB 3.63Å; V463-K599 HydrophobicContact CG2-CG 4.03Å; W596-K599 PolarHBondContact O-N 3.26Å; E597-K599 PolarHBondContact O-N 3.07Å; K599-Q602 PolarHBondContact O-N 3.37Å; K599-L603 WeakPolarHBondContact O-CB 3.33Å; K599-L603 PolarHBondContact O-N 3.2Å
600Y96.4Very high94.3Very high0 Ų048.4 Ų48.40%024%0.237CC..Hα-helixtrans-59.6-49.6169.6154.5-94.5000111.5E413 Q414 I415 I458 W596 E597 Q602 L603 V604 T619 A620E413-Y600 HydrophobicContact CB-CD1 4.48Å; E413-Y600 HydrophobicContact CB-CE1 3.91Å; E413-Y600 HydrophobicContact CB-CE2 4.3Å; E413-Y600 HydrophobicContact CG-CD1 4Å; E413-Y600 HydrophobicContact CG-CE1 3.78Å; Q414-Y600 PolarHBondContact O-OH 3.37Å; I415-Y600 HydrophobicContact CD1-CE2 4.05Å; I415-Y600 HydrophobicContact CG1-CE2 4.32Å; I415-Y600 WeakPolarHBondContact CG1-OH 3.5Å; I458-Y600 HydrophobicContact CD1-CD2 4.31Å; I458-Y600 HydrophobicContact CD1-CE2 4.12Å; I458-Y600 HydrophobicContact CG1-CD2 4.29Å; I458-Y600 HydrophobicContact CG2-CD2 3.93Å; I458-Y600 HydrophobicContact CG2-CE2 4.43Å; W596-Y600 HydrophobicContact CH2-CD2 4.24Å; W596-Y600 HydrophobicContact CH2-CG 4.35Å; W596-Y600 HydrophobicContact CZ3-CG 4.24Å; W596-Y600 PolarHBondContact O-N 3.46Å; E597-Y600 WeakPolarHBondContact O-CB 3.41Å; E597-Y600 PolarHBondContact O-N 2.74Å; Y600-Q602 VanDerWaalsContact C-N 3.28Å; Y600-Q602 PolarHBondContact O-N 3.16Å; Y600-L603 PolarHBondContact O-N 3.43Å; Y600-L603 VanDerWaalsContact O-N 3.13Å; Y600-V604 HydrophobicContact CD2-CG2 3.9Å; Y600-V604 HydrophobicContact CE2-CG2 3.69Å; Y600-V604 WeakPolarHBondContact O-CG2 3.36Å; Y600-V604 PolarHBondContact O-N 3.26Å; Y600-T619 WeakPolarHBondContact CE1-O 3.42Å; Y600-T619 PolarHBondContact OH-O 2.7Å; Y600-A620 HydrophobicContact CD1-CB 4.08Å; Y600-A620 HydrophobicContact CE1-CB 3.89Å
601L95.7Very high94.3Very high18 Ų1849.8 Ų49.89%0.09424%0.244CC..Hα-helixtrans-60.5-36.7177.1-70.8173000112.3E597 K605 Y618 A620 R622 S623 Y1016E597-L601 WeakPolarHBondContact O-CG 3.37Å; E597-L601 PolarHBondContact O-N 2.69Å; L601-K605 VanDerWaalsContact O-CB 3.23Å; L601-K605 WeakPolarHBondContact O-CB 3.2Å; L601-K605 PolarHBondContact O-N 3.04Å; L601-Y618 HydrophobicContact CD2-CD2 3.81Å; L601-Y618 HydrophobicContact CD2-CE2 3.79Å; L601-A620 HydrophobicContact CD1-CB 4.06Å; L601-A620 HydrophobicContact CD2-CB 3.92Å; L601-A620 HydrophobicContact CG-CB 3.98Å; L601-R622 HydrophobicContact CD1-CG 4.21Å; L601-S623 WeakPolarHBondContact CD2-OG 3.43Å; L601-Y1016 HydrophobicContact CD2-CE2 4.23Å
602Q95.2Very high94.2Very high85 Ų8551 Ų5140%0.39726%0.257SS..Hα-helixtrans-63.4-51.7172.1-175.2-173.33.700111.5S598 K599 Y600 V604 K605 E606S598-Q602 PolarHBondContact O-N 3.33Å; S598-Q602 VanDerWaalsContact O-N 3.15Å; K599-Q602 PolarHBondContact O-N 3.37Å; Y600-Q602 VanDerWaalsContact C-N 3.28Å; Y600-Q602 PolarHBondContact O-N 3.16Å; Q602-V604 PolarHBondContact O-N 3.06Å; Q602-K605 WeakPolarHBondContact O-CB 3.37Å; Q602-K605 PolarHBondContact O-N 3.04Å; Q602-E606 HydrophobicContact CG-CG 4.47Å; Q602-E606 VanDerWaalsContact CG-OE1 3.28Å; Q602-E606 WeakPolarHBondContact CG-OE1 3.28Å; Q602-E606 PolarHBondContact NE2-OE1 3.09Å; Q602-E606 WeakPolarHBondContact O-CG 3.38Å; Q602-E606 PolarHBondContact O-N 2.96Å
603L95.6Very high94.1Very high27 Ų2754.8 Ų54.814%0.14128%0.275CS..Hα-helixtrans-61.8-45.8-175.9-173.8153.2000111.6L454 Q457 I458 I461 K599 Y600 K605 E606 W607L454-L603 HydrophobicContact CD1-CD2 4.02Å; Q457-L603 HydrophobicContact CB-CD1 4.37Å; Q457-L603 HydrophobicContact CB-CD2 4.24Å; I458-L603 HydrophobicContact CG1-CD2 4.05Å; I461-L603 HydrophobicContact CD1-CB 4.43Å; I461-L603 HydrophobicContact CD1-CD1 4.05Å; I461-L603 HydrophobicContact CG1-CD1 3.82Å; K599-L603 WeakPolarHBondContact O-CB 3.33Å; K599-L603 PolarHBondContact O-N 3.2Å; Y600-L603 PolarHBondContact O-N 3.43Å; Y600-L603 VanDerWaalsContact O-N 3.13Å; L603-K605 VanDerWaalsContact C-N 3.3Å; L603-K605 PolarHBondContact O-N 2.91Å; L603-E606 PolarHBondContact O-N 3.27Å; L603-W607 WeakPolarHBondContact O-CB 3.17Å; L603-W607 PolarHBondContact O-N 2.82Å
604V95.6Very high94Very high0 Ų055.3 Ų55.30%028%0.278CS..Hα-helixtrans-64.6-35.7178.6177.90000111.3I415 I458 Y600 Q602 K608 V616 Y618I415-V604 HydrophobicContact CD1-CG1 4.12Å; I415-V604 HydrophobicContact CD1-CG2 3.7Å; I458-V604 HydrophobicContact CD1-CG2 4.1Å; I458-V604 HydrophobicContact CG1-CG2 4.49Å; Y600-V604 HydrophobicContact CD2-CG2 3.9Å; Y600-V604 HydrophobicContact CE2-CG2 3.69Å; Y600-V604 WeakPolarHBondContact O-CG2 3.36Å; Y600-V604 PolarHBondContact O-N 3.26Å; Q602-V604 PolarHBondContact O-N 3.06Å; V604-K608 VanDerWaalsContact O-CB 3.3Å; V604-K608 WeakPolarHBondContact O-CB 3.36Å; V604-K608 PolarHBondContact O-N 3.43Å; V604-V616 HydrophobicContact CG1-CG1 4.05Å; V604-Y618 HydrophobicContact CB-CD2 4.48Å; V604-Y618 HydrophobicContact CB-CG 4.48Å; V604-Y618 HydrophobicContact CG1-CD1 3.7Å; V604-Y618 HydrophobicContact CG1-CD2 4.04Å; V604-Y618 HydrophobicContact CG1-CE1 4.27Å; V604-Y618 HydrophobicContact CG1-CG 3.57Å
605K94.3Very high94Very high126 Ų12655.3 Ų55.355%0.54828%0.28SS..Hα-helixtrans-66.8-42.3174.7-176.1177179.5177.80112.3L601 Q602 L603 L609L601-K605 VanDerWaalsContact O-CB 3.23Å; L601-K605 WeakPolarHBondContact O-CB 3.2Å; L601-K605 PolarHBondContact O-N 3.04Å; Q602-K605 WeakPolarHBondContact O-CB 3.37Å; Q602-K605 PolarHBondContact O-N 3.04Å; L603-K605 VanDerWaalsContact C-N 3.3Å; L603-K605 PolarHBondContact O-N 2.91Å; K605-L609 WeakPolarHBondContact O-CG 3.38Å; K605-L609 PolarHBondContact O-N 3.31Å
606E95.4Very high94.1Very high90 Ų9052.7 Ų52.742%0.42127%0.266SS..Hα-helixtrans-65-43.6175.1-72.8167.1178.400111Q602 L603 L609 N610Q602-E606 HydrophobicContact CG-CG 4.47Å; Q602-E606 VanDerWaalsContact CG-OE1 3.28Å; Q602-E606 WeakPolarHBondContact CG-OE1 3.28Å; Q602-E606 PolarHBondContact NE2-OE1 3.09Å; Q602-E606 WeakPolarHBondContact O-CG 3.38Å; Q602-E606 PolarHBondContact O-N 2.96Å; L603-E606 PolarHBondContact O-N 3.27Å; E606-L609 PolarHBondContact O-N 3.3Å; E606-N610 PolarHBondContact O-N 2.92Å
607W95.2Very high94.1Very high9 Ų953 Ų533%0.03427%0.269CS..Hα-helixtrans-66.3-37.8177.1-166.5101.6000112.9L417 K450 D453 L454 L603 L609 N610 N611 I614 V616L417-W607 HydrophobicContact CD2-CZ3 4.46Å; K450-W607 HydrophobicContact CB-CZ2 4.31Å; K450-W607 WeakPolarHBondContact O-CZ2 3.48Å; D453-W607 PolarHBondContact OD2-NE1 3.46Å; L454-W607 HydrophobicContact CB-CD2 4.32Å; L454-W607 HydrophobicContact CB-CH2 4.43Å; L454-W607 HydrophobicContact CB-CZ2 3.86Å; L454-W607 HydrophobicContact CD1-CB 4.16Å; L454-W607 HydrophobicContact CD1-CD2 3.9Å; L454-W607 HydrophobicContact CD1-CE3 4.45Å; L454-W607 HydrophobicContact CD1-CG 3.77Å; L454-W607 HydrophobicContact CD2-CD2 4.08Å; L454-W607 HydrophobicContact CD2-CE3 3.91Å; L454-W607 HydrophobicContact CD2-CH2 4.16Å; L454-W607 HydrophobicContact CD2-CZ2 4.34Å; L454-W607 HydrophobicContact CD2-CZ3 3.95Å; L454-W607 HydrophobicContact CG-CD2 4.32Å; L603-W607 WeakPolarHBondContact O-CB 3.17Å; L603-W607 PolarHBondContact O-N 2.82Å; W607-L609 VanDerWaalsContact C-N 3.29Å; W607-L609 PolarHBondContact O-N 3.35Å; W607-N610 PolarHBondContact O-N 3.35Å; W607-N611 HydrophobicContact CD2-CB 4.34Å; W607-N611 VanDerWaalsContact CD2-ND2 3.28Å; W607-N611 HydrophobicContact CE3-CB 4.01Å; W607-N611 HydrophobicContact CH2-CB 4.07Å; W607-N611 HydrophobicContact CZ2-CB 4.37Å; W607-N611 HydrophobicContact CZ3-CB 3.87Å; W607-N611 PolarHBondContact NE1-ND2 3.4Å; W607-N611 WeakPolarHBondContact O-CB 3.3Å; W607-N611 PolarHBondContact O-N 2.93Å; W607-N611 PolarHBondContact O-ND2 3.04Å; W607-N611 VanDerWaalsContact O-ND2 3.17Å; W607-I614 HydrophobicContact CH2-CD1 3.79Å; W607-I614 HydrophobicContact CZ3-CD1 4.43Å; W607-V616 HydrophobicContact CE3-CG2 4.13Å; W607-V616 HydrophobicContact CZ3-CG2 3.77Å
608K93.6Very high94.1Very high58 Ų5853.6 Ų53.625%0.25227%0.271SS..Hα-helixtrans-60.8-34.3173.1177173.7-178.7164.50112.4V604 V616 Y618 D1019V604-K608 VanDerWaalsContact O-CB 3.3Å; V604-K608 WeakPolarHBondContact O-CB 3.36Å; V604-K608 PolarHBondContact O-N 3.43Å; K608-V616 HydrophobicContact CB-CB 4.1Å; K608-V616 HydrophobicContact CB-CG1 4.35Å; K608-V616 HydrophobicContact CB-CG2 4.23Å; K608-V616 HydrophobicContact CD-CB 3.99Å; K608-V616 WeakPolarHBondContact CD-O 3.17Å; K608-V616 VanDerWaalsContact CE-O 3.27Å; K608-V616 WeakPolarHBondContact CE-O 3.31Å; K608-V616 HydrophobicContact CG-CB 3.92Å; K608-V616 HydrophobicContact CG-CG2 4.26Å; K608-V616 PolarHBondContact NZ-O 3.49Å; K608-Y618 HydrophobicContact CD-CE1 3.98Å; K608-D1019 IonicContact NZ-OD2 2.68Å; K608-D1019 PolarHBondContact NZ-OD2 3.31Å
609L93Very high94.1Very high123 Ų12351.4 Ų51.464%0.64426%0.255SS*.Hα-helixtrans-73.5-36.2177.1-70.6168.8000112.2K605 E606 W607K605-L609 WeakPolarHBondContact O-CG 3.38Å; K605-L609 PolarHBondContact O-N 3.31Å; E606-L609 PolarHBondContact O-N 3.3Å; W607-L609 VanDerWaalsContact C-N 3.29Å; W607-L609 PolarHBondContact O-N 3.35Å
610N93.9Very high94.2Very high132 Ų13248.2 Ų48.271%0.70624%0.241SC*.Hα-helixtrans-74.9-37.9177.9-67.3-16000112.6E606 W607 T612E606-N610 PolarHBondContact O-N 2.92Å; W607-N610 PolarHBondContact O-N 3.35Å; N610-T612 PolarHBondContact O-N 3.42Å
611N91.9Very high94Very high33 Ų3352.2 Ų52.218%0.17626%0.26CS..  trans-97.660.7-172.1-73.1-82000113.3W607 E613 I614W607-N611 HydrophobicContact CD2-CB 4.34Å; W607-N611 VanDerWaalsContact CD2-ND2 3.28Å; W607-N611 HydrophobicContact CE3-CB 4.01Å; W607-N611 HydrophobicContact CH2-CB 4.07Å; W607-N611 HydrophobicContact CZ2-CB 4.37Å; W607-N611 HydrophobicContact CZ3-CB 3.87Å; W607-N611 PolarHBondContact NE1-ND2 3.4Å; W607-N611 WeakPolarHBondContact O-CB 3.3Å; W607-N611 PolarHBondContact O-N 2.93Å; W607-N611 PolarHBondContact O-ND2 3.04Å; W607-N611 VanDerWaalsContact O-ND2 3.17Å; N611-E613 PolarHBondContact O-N 2.87Å; N611-I614 PolarHBondContact O-N 2.99Å
612T89Confident93.8Very high94 Ų9453.8 Ų53.858%0.57726%0.264SS*.THydrogen-bonded Turntrans-63.7-8.4-174.161.70000115.6K420 N610K420-T612 WeakPolarHBondContact CD-O 3.38Å; K420-T612 WeakPolarHBondContact CE-O 3.36Å; K420-T612 PolarHBondContact NZ-O 3.13Å; N610-T612 PolarHBondContact O-N 3.42Å
613E90Very high93.7Very high121 Ų12149.7 Ų49.757%0.56525%0.246SC*.THydrogen-bonded Turntrans-78.7-19.3174.6-63.4174.6162.100113.4K420 K450 N611K420-E613 VanDerWaalsContact CB-O 3.3Å; K420-E613 WeakPolarHBondContact CB-O 3.47Å; K420-E613 VanDerWaalsContact CG-O 3.31Å; K420-E613 WeakPolarHBondContact CG-O 3.4Å; K420-E613 PolarHBondContact N-O 3.25Å; K450-E613 IonicContact NZ-OE2 3.18Å; K450-E613 PolarHBondContact NZ-OE2 2.66Å; N611-E613 PolarHBondContact O-N 2.87Å
614I92.2Very high93.3Very high10 Ų1051.1 Ų51.15%0.05126%0.255CS..EExtended strand (participates in β ladder)trans-108.4141.7-176.4-63.6172.7000108.8L417 F447 K450 W607 N611 V616L417-I614 HydrophobicContact CB-CG2 4.41Å; L417-I614 HydrophobicContact CD2-CG2 4.11Å; F447-I614 HydrophobicContact CD2-CD1 3.92Å; F447-I614 HydrophobicContact CD2-CG1 4.06Å; F447-I614 HydrophobicContact CE2-CD1 3.97Å; F447-I614 HydrophobicContact CE2-CG1 3.99Å; F447-I614 HydrophobicContact CE2-CG2 4.02Å; K450-I614 HydrophobicContact CB-CD1 4.08Å; K450-I614 HydrophobicContact CD-CD1 3.96Å; W607-I614 HydrophobicContact CH2-CD1 3.79Å; W607-I614 HydrophobicContact CZ3-CD1 4.43Å; N611-I614 PolarHBondContact O-N 2.99Å; I614-V616 HydrophobicContact CB-CG2 4.46Å; I614-V616 HydrophobicContact CG2-CG2 3.87Å
615I93Very high92.8Very high55 Ų5553.7 Ų53.728%0.28227%0.267SS..EExtended strand (participates in β ladder)trans-93.3115.4168.5-66.6169.7000107R418 K420R418-I615 HydrophobicContact CG-CB 3.94Å; R418-I615 HydrophobicContact CG-CG2 4.33Å; R418-I615 PolarHBondContact N-O 3.41Å; R418-I615 VanDerWaalsContact N-O 3.12Å; R418-I615 PolarHBondContact O-N 2.96Å; K420-I615 HydrophobicContact CG-CD1 3.94Å; K420-I615 HydrophobicContact CG-CG1 3.77Å
616V94.7Very high92.5Very high1 Ų149.4 Ų49.41%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-110.8115.1-176.3-174.20000109.2I415 L417 V604 W607 K608 I614 Y618I415-V616 HydrophobicContact CG2-CG1 3.97Å; L417-V616 HydrophobicContact CD2-CB 4.08Å; L417-V616 HydrophobicContact CD2-CG1 3.79Å; L417-V616 HydrophobicContact CD2-CG2 3.78Å; V604-V616 HydrophobicContact CG1-CG1 4.05Å; W607-V616 HydrophobicContact CE3-CG2 4.13Å; W607-V616 HydrophobicContact CZ3-CG2 3.77Å; K608-V616 HydrophobicContact CB-CB 4.1Å; K608-V616 HydrophobicContact CB-CG1 4.35Å; K608-V616 HydrophobicContact CB-CG2 4.23Å; K608-V616 HydrophobicContact CD-CB 3.99Å; K608-V616 WeakPolarHBondContact CD-O 3.17Å; K608-V616 VanDerWaalsContact CE-O 3.27Å; K608-V616 WeakPolarHBondContact CE-O 3.31Å; K608-V616 HydrophobicContact CG-CB 3.92Å; K608-V616 HydrophobicContact CG-CG2 4.26Å; K608-V616 PolarHBondContact NZ-O 3.49Å; I614-V616 HydrophobicContact CB-CG2 4.46Å; I614-V616 HydrophobicContact CG2-CG2 3.87Å; V616-Y618 HydrophobicContact CG1-CD1 4.17Å
617S95.5Very high92.2Very high8 Ų845.9 Ų45.96%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-115.4129.9171.9-81.40000108.6I415 I416 D1019I415-S617 CarbonylContact C-O 3.51Å; I415-S617 WeakPolarHBondContact CA-O 3.27Å; I416-S617 PolarHBondContact N-O 3.19Å; I416-S617 PolarHBondContact O-N 3.42Å; S617-D1019 VanDerWaalsContact OG-C 3.28Å; S617-D1019 PolarHBondContact OG-O 2.95Å
618Y96.2Very high91.6Very high11 Ų1148.7 Ų48.74%0.04325%0.249CC..EExtended strand (participates in β ladder)trans-147.9154.6-168.964.7-87.9000113.2Q414 L601 V604 K608 V616 Y1016Q414-Y618 CarbonylContact O-C 3.59Å; Q414-Y618 WeakPolarHBondContact O-CA 3.43Å; L601-Y618 HydrophobicContact CD2-CD2 3.81Å; L601-Y618 HydrophobicContact CD2-CE2 3.79Å; V604-Y618 HydrophobicContact CB-CD2 4.48Å; V604-Y618 HydrophobicContact CB-CG 4.48Å; V604-Y618 HydrophobicContact CG1-CD1 3.7Å; V604-Y618 HydrophobicContact CG1-CD2 4.04Å; V604-Y618 HydrophobicContact CG1-CE1 4.27Å; V604-Y618 HydrophobicContact CG1-CG 3.57Å; K608-Y618 HydrophobicContact CD-CE1 3.98Å; V616-Y618 HydrophobicContact CG1-CD1 4.17Å; Y618-Y1016 AromaticContact CD2-CD2 3.94Å; Y618-Y1016 HydrophobicContact CD2-CD2 3.94Å; Y618-Y1016 HydrophobicContact CD2-CE2 4Å; Y618-Y1016 HydrophobicContact CE1-CD2 4.32Å; Y618-Y1016 AromaticContact CE2-CD2 3.43Å; Y618-Y1016 HydrophobicContact CE2-CD2 3.43Å; Y618-Y1016 VanDerWaalsContact CE2-CD2 3.43Å; Y618-Y1016 AromaticContact CE2-CE2 3.55Å; Y618-Y1016 HydrophobicContact CE2-CE2 3.55Å; Y618-Y1016 HydrophobicContact CE2-CG 4.12Å; Y618-Y1016 AromaticContact CZ-CD2 3.65Å; Y618-Y1016 AromaticContact CZ-CG 3.91Å
619T95.9Very high91.1Very high12 Ų1251.1 Ų51.17%0.07426%0.261CS..EExtended strand (participates in β ladder)trans-142.8158172.5-165.50000111.2Q414 Y600 M1017 Y1020Q414-T619 HydrophobicContact CB-CG2 4.14Å; Q414-T619 PolarHBondContact N-O 3.22Å; Q414-T619 PolarHBondContact O-N 3.15Å; Y600-T619 WeakPolarHBondContact CE1-O 3.42Å; Y600-T619 PolarHBondContact OH-O 2.7Å; T619-M1017 WeakPolarHBondContact OG1-CE 3.4Å; T619-Y1020 HydrophobicContact CG2-CD1 4.38Å; T619-Y1020 HydrophobicContact CG2-CD2 4.29Å; T619-Y1020 HydrophobicContact CG2-CE1 3.81Å; T619-Y1020 HydrophobicContact CG2-CE2 3.7Å; T619-Y1020 VanDerWaalsContact CG2-CZ 3.42Å
620A95.5Very high90.8Very high0 Ų049.6 Ų49.60%025%0.247CC..  trans-121164.1154.400000109E413 E597 Y600 L601 R622 S623E413-A620 HydrophobicContact CG-CB 3.87Å; E597-A620 HydrophobicContact CB-CB 4.12Å; E597-A620 HydrophobicContact CG-CB 4.21Å; Y600-A620 HydrophobicContact CD1-CB 4.08Å; Y600-A620 HydrophobicContact CE1-CB 3.89Å; L601-A620 HydrophobicContact CD1-CB 4.06Å; L601-A620 HydrophobicContact CD2-CB 3.92Å; L601-A620 HydrophobicContact CG-CB 3.98Å; A620-R622 HydrophobicContact CB-CG 4.27Å; A620-R622 PolarHBondContact O-N 2.95Å; A620-S623 PolarHBondContact N-OG 3.26Å; A620-S623 VanDerWaalsContact O-CB 3.26Å; A620-S623 WeakPolarHBondContact O-CB 3.43Å; A620-S623 PolarHBondContact O-N 3.27Å; A620-S623 PolarHBondContact O-OG 2.75Å
621E92.2Very high90.2Very high83 Ų8343.9 Ų43.939%0.38822%0.216SC..THydrogen-bonded Turntrans-60.8-32.1177.3176.866.2-17000112.1R411 E413R411-E621 HydrophobicContact CB-CB 3.88Å; R411-E621 HydrophobicContact CB-CG 4.03Å; R411-E621 HydrophobicContact CG-CB 4.46Å; R411-E621 HydrophobicContact CG-CG 4.13Å; E413-E621 PolarHBondContact OE1-N 3.45Å
622R91Very high89.7Confident51 Ų5143.1 Ų43.119%0.19221%0.213CC..THydrogen-bonded Turntrans-73.9-16.5172.769.6177-68.2155.38.6115.7K594 E597 L601 A620 V624 E625 D626K594-R622 HydrophobicContact CG-CB 4.44Å; K594-R622 WeakPolarHBondContact O-CD 3.45Å; K594-R622 PolarHBondContact O-NH1 3.48Å; E597-R622 HydrophobicContact CB-CG 3.91Å; E597-R622 VanDerWaalsContact OE2-CB 3.25Å; E597-R622 WeakPolarHBondContact OE2-CB 3.15Å; E597-R622 WeakPolarHBondContact OE2-CG 3.25Å; E597-R622 PolarHBondContact OE2-N 2.97Å; L601-R622 HydrophobicContact CD1-CG 4.21Å; A620-R622 HydrophobicContact CB-CG 4.27Å; A620-R622 PolarHBondContact O-N 2.95Å; R622-V624 PolarHBondContact O-N 3.01Å; R622-V624 VanDerWaalsContact O-N 3.11Å; R622-E625 PolarHBondContact O-N 3.28Å; R622-D626 WeakPolarHBondContact CG-OD2 3.38Å; R622-D626 IonicContact CZ-OD1 2.66Å; R622-D626 IonicContact CZ-OD2 3.29Å; R622-D626 IonicContact NE-OD1 2.7Å; R622-D626 PolarHBondContact NE-OD1 3.26Å; R622-D626 VanDerWaalsContact NE-OD1 3.17Å; R622-D626 IonicContact NE-OD2 2.79Å; R622-D626 PolarHBondContact NE-OD2 3.37Å; R622-D626 IonicContact NH2-OD1 3.86Å; R622-D626 PolarHBondContact NH2-OD1 2.94Å; R622-D626 IonicContact NH2-OD2 3.2Å; R622-D626 PolarHBondContact O-N 3.42Å
623S93Very high89.5Confident0 Ų043 Ų430%021%0.209CC..Hα-helixtrans-57.9-32.8-170.2-71.80000114L601 A620 E627 Y1016 M1017L601-S623 WeakPolarHBondContact CD2-OG 3.43Å; A620-S623 PolarHBondContact N-OG 3.26Å; A620-S623 VanDerWaalsContact O-CB 3.26Å; A620-S623 WeakPolarHBondContact O-CB 3.43Å; A620-S623 PolarHBondContact O-N 3.27Å; A620-S623 PolarHBondContact O-OG 2.75Å; S623-E627 WeakPolarHBondContact O-CB 2.91Å; S623-E627 WeakPolarHBondContact O-CG 3.32Å; S623-E627 PolarHBondContact O-N 2.98Å; S623-E627 VanDerWaalsContact O-N 3.13Å; S623-Y1016 WeakPolarHBondContact CB-OH 3.45Å; S623-Y1016 PolarHBondContact OG-OH 3.42Å; S623-M1017 VanDerWaalsContact CB-SD 3.54Å
624V87.3Confident89.1Confident56 Ų5638.8 Ų38.834%0.33919%0.193SC..Hα-helixtrans-70.9-38.2178.4-1800000111.7R622 I628 M1011 M1017R622-V624 PolarHBondContact O-N 3.01Å; R622-V624 VanDerWaalsContact O-N 3.11Å; V624-I628 HydrophobicContact CG1-CD1 3.99Å; V624-I628 WeakPolarHBondContact O-CB 3.41Å; V624-I628 WeakPolarHBondContact O-CD1 3.29Å; V624-I628 WeakPolarHBondContact O-CG1 3.11Å; V624-I628 PolarHBondContact O-N 2.56Å; V624-M1011 HydrophobicContact CB-CE 4.29Å; V624-M1011 HydrophobicContact CG1-CE 4.05Å; V624-M1011 HydrophobicContact CG2-CE 3.98Å; V624-M1017 HydrophobicContact CG2-CE 4.05Å
625E85.9Confident88.6Confident55 Ų5538.4 Ų38.426%0.25719%0.191SC..Hα-helixtrans-71-45.8177.6-167.9171.4-159.500110.3T382 K594 R622 E627 I628 E629T382-E625 WeakPolarHBondContact CB-OE1 3.34Å; T382-E625 PolarHBondContact OG1-OE1 2.96Å; K594-E625 IonicContact NZ-OE1 3.88Å; K594-E625 IonicContact NZ-OE2 2.71Å; K594-E625 PolarHBondContact NZ-OE2 3.26Å; R622-E625 PolarHBondContact O-N 3.28Å; E625-E627 PolarHBondContact O-N 3.13Å; E625-I628 PolarHBondContact O-N 2.74Å; E625-E629 PolarHBondContact O-N 3.2Å
626D88.8Confident88.1Confident36 Ų3640.1 Ų40.119%0.19320%0.199CC..Hα-helixtrans-60.4-43.3179.4-66.2-21.5000113R622 E629 R630R622-D626 WeakPolarHBondContact CG-OD2 3.38Å; R622-D626 IonicContact CZ-OD1 2.66Å; R622-D626 IonicContact CZ-OD2 3.29Å; R622-D626 IonicContact NE-OD1 2.7Å; R622-D626 PolarHBondContact NE-OD1 3.26Å; R622-D626 VanDerWaalsContact NE-OD1 3.17Å; R622-D626 IonicContact NE-OD2 2.79Å; R622-D626 PolarHBondContact NE-OD2 3.37Å; R622-D626 IonicContact NH2-OD1 3.86Å; R622-D626 PolarHBondContact NH2-OD1 2.94Å; R622-D626 IonicContact NH2-OD2 3.2Å; R622-D626 PolarHBondContact O-N 3.42Å; D626-E629 PolarHBondContact O-N 2.85Å; D626-R630 WeakPolarHBondContact O-CB 3.32Å; D626-R630 PolarHBondContact O-N 3.17Å
627E88.2Confident87.6Confident15 Ų1543.1 Ų43.17%0.0722%0.221CC..Hα-helixtrans-74.5-29.5-178.6-75.9-73.3109.600112.8S623 E625 R630 Q631 M1011 S1015 Y1016 M1017S623-E627 WeakPolarHBondContact O-CB 2.91Å; S623-E627 WeakPolarHBondContact O-CG 3.32Å; S623-E627 PolarHBondContact O-N 2.98Å; S623-E627 VanDerWaalsContact O-N 3.13Å; E625-E627 PolarHBondContact O-N 3.13Å; E627-R630 IonicContact OE1-CZ 3.69Å; E627-R630 IonicContact OE1-NE 2.7Å; E627-R630 PolarHBondContact OE1-NE 3.35Å; E627-R630 IonicContact OE1-NH2 2.82Å; E627-R630 PolarHBondContact OE1-NH2 3.23Å; E627-R630 IonicContact OE2-CZ 2.9Å; E627-R630 IonicContact OE2-NE 3.22Å; E627-R630 PolarHBondContact OE2-NE 3.25Å; E627-R630 IonicContact OE2-NH2 2.64Å; E627-R630 PolarHBondContact OE2-NH2 3.48Å; E627-Q631 WeakPolarHBondContact O-CB 3.49Å; E627-Q631 PolarHBondContact O-N 3.38Å; E627-Q631 VanDerWaalsContact O-N 3.08Å; E627-M1011 HydrophobicContact CB-SD 4.05Å; E627-S1015 WeakPolarHBondContact OE2-CA 3.32Å; E627-S1015 WeakPolarHBondContact OE2-CB 3.3Å; E627-S1015 PolarHBondContact OE2-OG 3.21Å; E627-Y1016 HydrophobicContact CG-CE1 3.93Å; E627-M1017 HydrophobicContact CG-CG 4.21Å
628I82.3Confident87.1Confident68 Ų6843.6 Ų43.635%0.34922%0.223SC..Hα-helixtrans-70.7-41.2171.1-70.1170.9000110.3V624 E625 Q631 S632V624-I628 HydrophobicContact CG1-CD1 3.99Å; V624-I628 WeakPolarHBondContact O-CB 3.41Å; V624-I628 WeakPolarHBondContact O-CD1 3.29Å; V624-I628 WeakPolarHBondContact O-CG1 3.11Å; V624-I628 PolarHBondContact O-N 2.56Å; E625-I628 PolarHBondContact O-N 2.74Å; I628-Q631 WeakPolarHBondContact O-CB 3.43Å; I628-Q631 PolarHBondContact O-N 2.87Å; I628-S632 WeakPolarHBondContact O-CB 3.26Å; I628-S632 PolarHBondContact O-N 3.45Å
629E82.9Confident86.5Confident109 Ų10944.1 Ų44.151%0.50923%0.226SC..Hα-helixtrans-65.4-42.3174.8-166.2-174.3157.600111.6E625 D626 Q631 S632 N633E625-E629 PolarHBondContact O-N 3.2Å; D626-E629 PolarHBondContact O-N 2.85Å; E629-Q631 VanDerWaalsContact C-N 3.28Å; E629-Q631 PolarHBondContact O-N 3.13Å; E629-S632 WeakPolarHBondContact O-CB 3.31Å; E629-S632 PolarHBondContact O-N 2.9Å; E629-N633 WeakPolarHBondContact O-CB 3.29Å; E629-N633 PolarHBondContact O-N 2.98Å; E629-N633 PolarHBondContact O-ND2 3.34Å
630R86.9Confident85.9Confident91 Ų9145.6 Ų45.634%0.34324%0.24SC..Hα-helixtrans-56.7-42.6173.4-177173.373.692.7-8.2111.8D626 E627 S634 P1012 D1014D626-R630 WeakPolarHBondContact O-CB 3.32Å; D626-R630 PolarHBondContact O-N 3.17Å; E627-R630 IonicContact OE1-CZ 3.69Å; E627-R630 IonicContact OE1-NE 2.7Å; E627-R630 PolarHBondContact OE1-NE 3.35Å; E627-R630 IonicContact OE1-NH2 2.82Å; E627-R630 PolarHBondContact OE1-NH2 3.23Å; E627-R630 IonicContact OE2-CZ 2.9Å; E627-R630 IonicContact OE2-NE 3.22Å; E627-R630 PolarHBondContact OE2-NE 3.25Å; E627-R630 IonicContact OE2-NH2 2.64Å; E627-R630 PolarHBondContact OE2-NH2 3.48Å; R630-S634 PolarHBondContact O-N 2.76Å; R630-P1012 VanDerWaalsContact NH2-CB 3.33Å; R630-D1014 IonicContact CZ-OD1 3.87Å; R630-D1014 IonicContact CZ-OD2 3.76Å; R630-D1014 IonicContact NH1-OD1 3.67Å; R630-D1014 PolarHBondContact NH1-OD1 2.86Å; R630-D1014 IonicContact NH1-OD2 2.68Å; R630-D1014 PolarHBondContact NH1-OD2 2.96Å; R630-D1014 IonicContact NH2-OD1 3.67Å; R630-D1014 PolarHBondContact NH2-OD1 3.26Å; R630-D1014 IonicContact NH2-OD2 3.58Å
631Q82.7Confident85.6Confident12 Ų1250 Ų506%0.05626%0.263CS..Hα-helixtrans-63.8-54176.9-167.379.7-66.800111.1E627 I628 E629 N633 S634 D635 P1012 S1374E627-Q631 WeakPolarHBondContact O-CB 3.49Å; E627-Q631 PolarHBondContact O-N 3.38Å; E627-Q631 VanDerWaalsContact O-N 3.08Å; I628-Q631 WeakPolarHBondContact O-CB 3.43Å; I628-Q631 PolarHBondContact O-N 2.87Å; E629-Q631 VanDerWaalsContact C-N 3.28Å; E629-Q631 PolarHBondContact O-N 3.13Å; Q631-N633 VanDerWaalsContact C-N 3.3Å; Q631-N633 PolarHBondContact O-N 2.9Å; Q631-S634 WeakPolarHBondContact O-CA 3.5Å; Q631-S634 WeakPolarHBondContact O-CB 3.49Å; Q631-S634 PolarHBondContact O-N 2.88Å; Q631-D635 PolarHBondContact O-N 2.99Å; Q631-P1012 HydrophobicContact CB-CG 4.15Å; Q631-P1012 VanDerWaalsContact NE2-CA 3.34Å; Q631-S1374 VanDerWaalsContact CD-CB 3.46Å; Q631-S1374 PolarHBondContact NE2-OG 3.16Å
632S81.2Confident85.3Confident17 Ų1746.2 Ų46.212%0.11925%0.245CC..Hα-helixtrans-47.6-51.6176.4174.80000112.1I628 E629 S634 D635 I636 L699I628-S632 WeakPolarHBondContact O-CB 3.26Å; I628-S632 PolarHBondContact O-N 3.45Å; E629-S632 WeakPolarHBondContact O-CB 3.31Å; E629-S632 PolarHBondContact O-N 2.9Å; S632-S634 VanDerWaalsContact C-N 3.28Å; S632-S634 PolarHBondContact O-N 3.3Å; S632-D635 PolarHBondContact O-N 3.21Å; S632-I636 WeakPolarHBondContact O-CG1 3.28Å; S632-I636 PolarHBondContact O-N 2.73Å; S632-I636 VanDerWaalsContact O-N 3.09Å; S632-L699 VanDerWaalsContact OG-CD1 3.25Å; S632-L699 WeakPolarHBondContact OG-CD1 3.27Å; S632-L699 WeakPolarHBondContact OG-CD2 3.32Å
633N83.4Confident84.9Confident92 Ų9246 Ų4649%0.49225%0.245SC..Hα-helixtrans-67.3-26.1-178.4-71-25.8000113.1E629 Q631E629-N633 WeakPolarHBondContact O-CB 3.29Å; E629-N633 PolarHBondContact O-N 2.98Å; E629-N633 PolarHBondContact O-ND2 3.34Å; Q631-N633 VanDerWaalsContact C-N 3.3Å; Q631-N633 PolarHBondContact O-N 2.9Å
634S81.4Confident84.6Confident33 Ų3350.4 Ų50.423%0.23127%0.268CS..Hα-helixtrans-73.6-44.2170.2-173.50000111.9R630 Q631 S632 S637R630-S634 PolarHBondContact O-N 2.76Å; Q631-S634 WeakPolarHBondContact O-CA 3.5Å; Q631-S634 WeakPolarHBondContact O-CB 3.49Å; Q631-S634 PolarHBondContact O-N 2.88Å; S632-S634 VanDerWaalsContact C-N 3.28Å; S632-S634 PolarHBondContact O-N 3.3Å; S634-S637 PolarHBondContact O-N 2.81Å; S634-S637 PolarHBondContact O-OG 3.29Å
635D81.8Confident84.6Confident2 Ų250.3 Ų50.31%0.01127%0.267CS..Hα-helixtrans-73.6-26.8-173.3-74.4-50.1000113.6Q631 S632 S637 T638 I639 S1372 S1374 F1377Q631-D635 PolarHBondContact O-N 2.99Å; S632-D635 PolarHBondContact O-N 3.21Å; D635-S637 PolarHBondContact O-N 3.32Å; D635-T638 WeakPolarHBondContact O-CB 3.22Å; D635-T638 PolarHBondContact O-N 3.49Å; D635-I639 HydrophobicContact CB-CD1 4.22Å; D635-I639 WeakPolarHBondContact O-CD1 3.09Å; D635-I639 VanDerWaalsContact O-CG1 3.26Å; D635-I639 WeakPolarHBondContact O-CG1 3.23Å; D635-I639 PolarHBondContact O-N 3.29Å; D635-S1372 WeakPolarHBondContact OD1-CB 3.5Å; D635-S1372 PolarHBondContact OD1-OG 2.89Å; D635-S1374 WeakPolarHBondContact OD2-CB 3.45Å; D635-F1377 HydrophobicContact CB-CD2 4.21Å; D635-F1377 HydrophobicContact CB-CE2 4.27Å; D635-F1377 VanDerWaalsContact OD2-CD2 3.25Å; D635-F1377 WeakPolarHBondContact OD2-CD2 3.15Å
636I83Confident84.4Confident90 Ų9047.8 Ų47.846%0.46226%0.255SS..Hα-helixtrans-48.1-36.2170.7-75.4168.5000112.1S632 A640S632-I636 WeakPolarHBondContact O-CG1 3.28Å; S632-I636 PolarHBondContact O-N 2.73Å; S632-I636 VanDerWaalsContact O-N 3.09Å; I636-A640 VanDerWaalsContact O-CB 3.32Å; I636-A640 WeakPolarHBondContact O-CB 3.38Å; I636-A640 PolarHBondContact O-N 3.01Å
637S84.8Confident84.1Confident65 Ų6549 Ų4946%0.45526%0.259SS..Hα-helixtrans-67-44.9177.369.70000113.1S634 D635 A640 I641S634-S637 PolarHBondContact O-N 2.81Å; S634-S637 PolarHBondContact O-OG 3.29Å; D635-S637 PolarHBondContact O-N 3.32Å; S637-A640 PolarHBondContact O-N 3.32Å; S637-I641 VanDerWaalsContact O-CG1 3.31Å; S637-I641 WeakPolarHBondContact O-CG1 3.46Å; S637-I641 PolarHBondContact O-N 2.94Å; S637-I641 VanDerWaalsContact O-N 3.08Å
638T85.7Confident83.9Confident17 Ų1752.2 Ų52.210%0.10428%0.275CS..Hα-helixtrans-65.7-40.8176.3-52.20000111.3D635 I641 S642 V1368 L1369D635-T638 WeakPolarHBondContact O-CB 3.22Å; D635-T638 PolarHBondContact O-N 3.49Å; T638-I641 PolarHBondContact O-N 3.45Å; T638-S642 PolarHBondContact O-N 3.14Å; T638-V1368 HydrophobicContact CG2-CG1 4Å; T638-V1368 WeakPolarHBondContact CG2-O 3.27Å; T638-V1368 WeakPolarHBondContact O-CG1 3.41Å; T638-L1369 HydrophobicContact CG2-CD2 4.47Å
639I82.1Confident84.1Confident22 Ų2250.6 Ų50.611%0.11327%0.265CS..Hα-helixtrans-62.8-45.7176.4-65.8159.6000110.4D635 I641 S642 Y643 E703 L1369D635-I639 HydrophobicContact CB-CD1 4.22Å; D635-I639 WeakPolarHBondContact O-CD1 3.09Å; D635-I639 VanDerWaalsContact O-CG1 3.26Å; D635-I639 WeakPolarHBondContact O-CG1 3.23Å; D635-I639 PolarHBondContact O-N 3.29Å; I639-I641 PolarHBondContact O-N 3Å; I639-S642 WeakPolarHBondContact O-CB 3.23Å; I639-S642 PolarHBondContact O-N 3.4Å; I639-S642 VanDerWaalsContact O-N 3.16Å; I639-Y643 HydrophobicContact CG2-CD2 3.82Å; I639-Y643 HydrophobicContact CG2-CE2 3.36Å; I639-Y643 WeakPolarHBondContact O-CD2 3.33Å; I639-Y643 PolarHBondContact O-N 3.13Å; I639-E703 HydrophobicContact CD1-CB 4.36Å; I639-E703 HydrophobicContact CD1-CG 3.69Å; I639-E703 WeakPolarHBondContact CD1-OE1 3.3Å; I639-E703 HydrophobicContact CG1-CG 4.23Å; I639-L1369 HydrophobicContact CG1-CD2 4.49Å
640A84.6Confident84.1Confident44 Ų4445.5 Ų45.536%0.36424%0.242SC..Hα-helixtrans-61.3-41.6175.900000112.3I636 S637 S642 Y643 I644I636-A640 VanDerWaalsContact O-CB 3.32Å; I636-A640 WeakPolarHBondContact O-CB 3.38Å; I636-A640 PolarHBondContact O-N 3.01Å; S637-A640 PolarHBondContact O-N 3.32Å; A640-S642 VanDerWaalsContact C-N 3.34Å; A640-S642 PolarHBondContact O-N 3.15Å; A640-Y643 PolarHBondContact O-N 2.88Å; A640-I644 VanDerWaalsContact O-CG1 3.3Å; A640-I644 WeakPolarHBondContact O-CG1 3.38Å; A640-I644 PolarHBondContact O-N 3.31Å
641I88.2Confident83.8Confident92 Ų9241.6 Ų41.647%0.47223%0.228SC..Hα-helixtrans-63.1-40.4174.2-65163.4000110.8S637 T638 I639 Y643 I644 V645 V1368S637-I641 VanDerWaalsContact O-CG1 3.31Å; S637-I641 WeakPolarHBondContact O-CG1 3.46Å; S637-I641 PolarHBondContact O-N 2.94Å; S637-I641 VanDerWaalsContact O-N 3.08Å; T638-I641 PolarHBondContact O-N 3.45Å; I639-I641 PolarHBondContact O-N 3Å; I641-Y643 PolarHBondContact O-N 3.44Å; I641-I644 PolarHBondContact O-N 2.8Å; I641-V645 HydrophobicContact CG2-CG2 4.38Å; I641-V645 WeakPolarHBondContact O-CG2 3.37Å; I641-V645 PolarHBondContact O-N 3.13Å; I641-V1368 HydrophobicContact CB-CG1 4.12Å; I641-V1368 HydrophobicContact CG2-CG1 3.84Å
642S85.4Confident83.5Confident3 Ų345.5 Ų45.52%0.02125%0.249CC..Hα-helixtrans-59.5-44175.5-172.80000111.7T638 I639 A640 V645 M646 G1365T638-S642 PolarHBondContact O-N 3.14Å; I639-S642 WeakPolarHBondContact O-CB 3.23Å; I639-S642 PolarHBondContact O-N 3.4Å; I639-S642 VanDerWaalsContact O-N 3.16Å; A640-S642 VanDerWaalsContact C-N 3.34Å; A640-S642 PolarHBondContact O-N 3.15Å; S642-V645 PolarHBondContact O-N 3.49Å; S642-M646 WeakPolarHBondContact O-CE 3.37Å; S642-M646 WeakPolarHBondContact O-CG 3.44Å; S642-M646 PolarHBondContact O-N 2.86Å; S642-G1365 VanDerWaalsContact OG-C 3.27Å; S642-G1365 WeakPolarHBondContact OG-CA 3.43Å; S642-G1365 PolarHBondContact OG-O 2.82Å
643Y82.8Confident83.4Confident47 Ų4748.8 Ų48.818%0.18426%0.261CS..Hα-helixtrans-65.4-39.6173.6-71.6-57.3000113.4I639 A640 I641 M646 F647 E703 P706 F707 L710I639-Y643 HydrophobicContact CG2-CD2 3.82Å; I639-Y643 HydrophobicContact CG2-CE2 3.36Å; I639-Y643 WeakPolarHBondContact O-CD2 3.33Å; I639-Y643 PolarHBondContact O-N 3.13Å; A640-Y643 PolarHBondContact O-N 2.88Å; I641-Y643 PolarHBondContact O-N 3.44Å; Y643-M646 HydrophobicContact CD1-CE 3.68Å; Y643-M646 HydrophobicContact CE1-CE 3.94Å; Y643-M646 HydrophobicContact CG-CE 4.46Å; Y643-M646 PolarHBondContact O-N 2.89Å; Y643-F647 VanDerWaalsContact O-CB 3.27Å; Y643-F647 WeakPolarHBondContact O-CB 3.42Å; Y643-F647 PolarHBondContact O-N 3.05Å; Y643-E703 PolarHBondContact OH-O 2.81Å; Y643-P706 HydrophobicContact CE1-CB 4.22Å; Y643-P706 WeakPolarHBondContact OH-CB 3.47Å; Y643-P706 WeakPolarHBondContact OH-CG 3.4Å; Y643-F707 WeakPolarHBondContact OH-CA 3.49Å; Y643-F707 PolarHBondContact OH-N 3.45Å; Y643-L710 HydrophobicContact CD1-CD2 3.66Å; Y643-L710 HydrophobicContact CE1-CD2 3.92Å
644I86.3Confident83Confident93 Ų9344.7 Ų44.748%0.47724%0.239SC..Hα-helixtrans-63.7-42.6175.8-69.8163.2000110.9A640 I641 F647 I648A640-I644 VanDerWaalsContact O-CG1 3.3Å; A640-I644 WeakPolarHBondContact O-CG1 3.38Å; A640-I644 PolarHBondContact O-N 3.31Å; I641-I644 PolarHBondContact O-N 2.8Å; I644-F647 PolarHBondContact O-N 2.84Å; I644-I648 HydrophobicContact CG2-CD1 3.76Å; I644-I648 HydrophobicContact CG2-CG1 4.45Å; I644-I648 WeakPolarHBondContact O-CB 3.5Å; I644-I648 VanDerWaalsContact O-CG1 3.28Å; I644-I648 WeakPolarHBondContact O-CG1 3.41Å; I644-I648 PolarHBondContact O-N 3.46Å
645V87.2Confident82.2Confident54 Ų5443.4 Ų43.433%0.32723%0.231SC..Hα-helixtrans-63.4-45176.11690000111.3I641 S642 I648 Y649 V1368I641-V645 HydrophobicContact CG2-CG2 4.38Å; I641-V645 WeakPolarHBondContact O-CG2 3.37Å; I641-V645 PolarHBondContact O-N 3.13Å; S642-V645 PolarHBondContact O-N 3.49Å; V645-I648 PolarHBondContact O-N 2.92Å; V645-Y649 WeakPolarHBondContact O-CB 3.39Å; V645-Y649 PolarHBondContact O-N 3.24Å; V645-V1368 HydrophobicContact CB-CG2 4.38Å; V645-V1368 HydrophobicContact CG2-CG2 4.07Å
646M82.9Confident81.5Confident1 Ų144.6 Ų44.61%0.00524%0.238CC..Hα-helixtrans-64.2-40.1174.7-72.7-175.5-74.900112.2S642 Y643 Y649 V650 F707 L710 T1361S642-M646 WeakPolarHBondContact O-CE 3.37Å; S642-M646 WeakPolarHBondContact O-CG 3.44Å; S642-M646 PolarHBondContact O-N 2.86Å; Y643-M646 HydrophobicContact CD1-CE 3.68Å; Y643-M646 HydrophobicContact CE1-CE 3.94Å; Y643-M646 HydrophobicContact CG-CE 4.46Å; Y643-M646 PolarHBondContact O-N 2.89Å; M646-Y649 PolarHBondContact O-N 2.84Å; M646-V650 VanDerWaalsContact O-CG2 3.31Å; M646-V650 WeakPolarHBondContact O-CG2 3.27Å; M646-V650 PolarHBondContact O-N 3.02Å; M646-F707 HydrophobicContact CE-CD2 4.01Å; M646-F707 HydrophobicContact CE-CE2 4.36Å; M646-F707 HydrophobicContact SD-CD2 4.42Å; M646-F707 HydrophobicContact SD-CE2 4.32Å; M646-L710 HydrophobicContact CB-CD2 4.02Å; M646-L710 HydrophobicContact CE-CD2 3.77Å; M646-L710 HydrophobicContact SD-CD2 3.84Å; M646-T1361 HydrophobicContact CB-CG2 4.26Å; M646-T1361 HydrophobicContact CG-CG2 4.04Å; M646-T1361 HydrophobicContact SD-CG2 4.35Å
647F81.9Confident80.6Confident63 Ų6347.6 Ų47.628%0.27625%0.245SC..Hα-helixtrans-63.2-44.2176161.5-104.1000112.7Y643 I644 V650 S651 L673 V676Y643-F647 VanDerWaalsContact O-CB 3.27Å; Y643-F647 WeakPolarHBondContact O-CB 3.42Å; Y643-F647 PolarHBondContact O-N 3.05Å; I644-F647 PolarHBondContact O-N 2.84Å; F647-V650 PolarHBondContact O-N 3.45Å; F647-S651 WeakPolarHBondContact CE2-OG 3.42Å; F647-S651 WeakPolarHBondContact O-CB 3.43Å; F647-S651 PolarHBondContact O-N 2.71Å; F647-S651 PolarHBondContact O-OG 3Å; F647-L673 HydrophobicContact CD2-CD1 4.42Å; F647-L673 HydrophobicContact CE2-CB 3.99Å; F647-L673 HydrophobicContact CE2-CD1 3.58Å; F647-L673 HydrophobicContact CE2-CG 4.37Å; F647-L673 HydrophobicContact CZ-CD1 4.06Å; F647-V676 HydrophobicContact CD2-CB 4.37Å; F647-V676 HydrophobicContact CD2-CG1 4.43Å; F647-V676 HydrophobicContact CD2-CG2 4.26Å
648I84.5Confident79.6Confident81 Ų8149.1 Ų49.142%0.41524%0.241SC..Hα-helixtrans-63.1-44.9175.4-70.7167.1000109.9I644 V645 S651 L652I644-I648 HydrophobicContact CG2-CD1 3.76Å; I644-I648 HydrophobicContact CG2-CG1 4.45Å; I644-I648 WeakPolarHBondContact O-CB 3.5Å; I644-I648 VanDerWaalsContact O-CG1 3.28Å; I644-I648 WeakPolarHBondContact O-CG1 3.41Å; I644-I648 PolarHBondContact O-N 3.46Å; V645-I648 PolarHBondContact O-N 2.92Å; I648-S651 PolarHBondContact O-N 3.4Å; I648-L652 HydrophobicContact CG2-CD1 3.68Å; I648-L652 HydrophobicContact CG2-CG 4.35Å; I648-L652 WeakPolarHBondContact O-CB 3.3Å; I648-L652 VanDerWaalsContact O-CG 3.3Å; I648-L652 WeakPolarHBondContact O-CG 3.42Å; I648-L652 PolarHBondContact O-N 3.16Å
649Y87.1Confident78.6Confident35 Ų3551.3 Ų51.314%0.13726%0.257CS..Hα-helixtrans-57.3-52.2176178.6-85.5000111.6V645 M646 S651 L652 F653 F718 R1356 L1360 T1361V645-Y649 WeakPolarHBondContact O-CB 3.39Å; V645-Y649 PolarHBondContact O-N 3.24Å; M646-Y649 PolarHBondContact O-N 2.84Å; Y649-S651 PolarHBondContact O-N 3.06Å; Y649-L652 PolarHBondContact O-N 3.27Å; Y649-F653 HydrophobicContact CD1-CD2 4.31Å; Y649-F653 AromaticContact CD2-CD2 3.34Å; Y649-F653 HydrophobicContact CD2-CD2 3.34Å; Y649-F653 AromaticContact CD2-CE2 3.52Å; Y649-F653 HydrophobicContact CD2-CE2 3.52Å; Y649-F653 HydrophobicContact CD2-CG 4.41Å; Y649-F653 HydrophobicContact CE1-CB 4.36Å; Y649-F653 HydrophobicContact CE1-CD2 4.29Å; Y649-F653 AromaticContact CE2-CD2 3.32Å; Y649-F653 HydrophobicContact CE2-CD2 3.32Å; Y649-F653 AromaticContact CE2-CE2 3.55Å; Y649-F653 HydrophobicContact CE2-CE2 3.55Å; Y649-F653 HydrophobicContact CE2-CG 4.04Å; Y649-F653 HydrophobicContact CE2-CZ 4.41Å; Y649-F653 AromaticContact CG-CD2 3.85Å; Y649-F653 HydrophobicContact CG-CD2 3.85Å; Y649-F653 HydrophobicContact CG-CE2 4.4Å; Y649-F653 AromaticContact CZ-CD2 3.82Å; Y649-F653 WeakPolarHBondContact O-CB 3.2Å; Y649-F653 WeakPolarHBondContact O-CD2 3.45Å; Y649-F653 PolarHBondContact O-N 3.01Å; Y649-F718 HydrophobicContact CE1-CE2 4.33Å; Y649-F718 HydrophobicContact CE1-CZ 4.24Å; Y649-R1356 WeakPolarHBondContact CE1-O 3.45Å; Y649-R1356 PolarHBondContact OH-O 3.09Å; Y649-L1360 HydrophobicContact CE2-CB 3.99Å; Y649-L1360 VanDerWaalsContact OH-CB 3.3Å; Y649-L1360 WeakPolarHBondContact OH-CB 3.34Å; Y649-T1361 HydrophobicContact CD1-CG2 4.22Å; Y649-T1361 WeakPolarHBondContact CD1-OG1 3.3Å; Y649-T1361 WeakPolarHBondContact CE1-OG1 3.07Å
650V82.6Confident77.9Confident2 Ų259.4 Ų59.41%0.01229%0.292CS..Hα-helixtrans-58-49.2178.1172.70000110.9M646 F647 L652 F653 L654 V676 V714 F718 T1361M646-V650 VanDerWaalsContact O-CG2 3.31Å; M646-V650 WeakPolarHBondContact O-CG2 3.27Å; M646-V650 PolarHBondContact O-N 3.02Å; F647-V650 PolarHBondContact O-N 3.45Å; V650-L652 VanDerWaalsContact C-N 3.28Å; V650-L652 PolarHBondContact O-N 2.77Å; V650-F653 PolarHBondContact O-N 3.11Å; V650-L654 WeakPolarHBondContact O-CB 3.29Å; V650-L654 PolarHBondContact O-N 3.01Å; V650-V676 HydrophobicContact CB-CG2 4.28Å; V650-V676 HydrophobicContact CG1-CG2 4.12Å; V650-V676 HydrophobicContact CG2-CG2 4.46Å; V650-V714 HydrophobicContact CG2-CB 4.36Å; V650-V714 HydrophobicContact CG2-CG1 3.6Å; V650-V714 HydrophobicContact CG2-CG2 3.73Å; V650-F718 HydrophobicContact CG2-CE2 4.33Å; V650-T1361 HydrophobicContact CG2-CG2 4.5Å
651S79.3Confident77.1Confident8 Ų864.4 Ų64.46%0.05631%0.305CS..Hα-helixtrans-63.9-30.2-176.3-56.90000113.7F647 I648 Y649F647-S651 WeakPolarHBondContact CE2-OG 3.42Å; F647-S651 WeakPolarHBondContact O-CB 3.43Å; F647-S651 PolarHBondContact O-N 2.71Å; F647-S651 PolarHBondContact O-OG 3Å; I648-S651 PolarHBondContact O-N 3.4Å; Y649-S651 PolarHBondContact O-N 3.06Å
652L77.8Confident76.3Confident94 Ų9462.1 Ų62.149%0.49230%0.295SS..Hα-helixtrans-85.7-40.6177.8-68.9174.8000113.2I648 Y649 V650I648-L652 HydrophobicContact CG2-CD1 3.68Å; I648-L652 HydrophobicContact CG2-CG 4.35Å; I648-L652 WeakPolarHBondContact O-CB 3.3Å; I648-L652 VanDerWaalsContact O-CG 3.3Å; I648-L652 WeakPolarHBondContact O-CG 3.42Å; I648-L652 PolarHBondContact O-N 3.16Å; Y649-L652 PolarHBondContact O-N 3.27Å; V650-L652 VanDerWaalsContact C-N 3.28Å; V650-L652 PolarHBondContact O-N 2.77Å
653F77.9Confident75.7Confident87 Ų8765.2 Ų65.238%0.38231%0.311SS..Hα-helixtrans-92.3-12.1-171.7-72.7-74000114.9Y649 V650 G655 F718Y649-F653 HydrophobicContact CD1-CD2 4.31Å; Y649-F653 AromaticContact CD2-CD2 3.34Å; Y649-F653 HydrophobicContact CD2-CD2 3.34Å; Y649-F653 AromaticContact CD2-CE2 3.52Å; Y649-F653 HydrophobicContact CD2-CE2 3.52Å; Y649-F653 HydrophobicContact CD2-CG 4.41Å; Y649-F653 HydrophobicContact CE1-CB 4.36Å; Y649-F653 HydrophobicContact CE1-CD2 4.29Å; Y649-F653 AromaticContact CE2-CD2 3.32Å; Y649-F653 HydrophobicContact CE2-CD2 3.32Å; Y649-F653 AromaticContact CE2-CE2 3.55Å; Y649-F653 HydrophobicContact CE2-CE2 3.55Å; Y649-F653 HydrophobicContact CE2-CG 4.04Å; Y649-F653 HydrophobicContact CE2-CZ 4.41Å; Y649-F653 AromaticContact CG-CD2 3.85Å; Y649-F653 HydrophobicContact CG-CD2 3.85Å; Y649-F653 HydrophobicContact CG-CE2 4.4Å; Y649-F653 AromaticContact CZ-CD2 3.82Å; Y649-F653 WeakPolarHBondContact O-CB 3.2Å; Y649-F653 WeakPolarHBondContact O-CD2 3.45Å; Y649-F653 PolarHBondContact O-N 3.01Å; V650-F653 PolarHBondContact O-N 3.11Å; F653-G655 VanDerWaalsContact C-N 3.3Å; F653-G655 PolarHBondContact O-N 3.19Å; F653-F718 HydrophobicContact CB-CE1 4.33Å; F653-F718 HydrophobicContact CB-CZ 4.09Å; F653-F718 WeakPolarHBondContact O-CE1 3.19Å
654L75.3Confident75.3Confident6 Ų667.9 Ų67.93%0.03133%0.328CS..SBendtrans-69.2-24176.3-163.774.6000113.3V650 R668 L671 I717 F718 V721V650-L654 WeakPolarHBondContact O-CB 3.29Å; V650-L654 PolarHBondContact O-N 3.01Å; L654-R668 HydrophobicContact CD2-CB 4.49Å; L654-L671 HydrophobicContact CD2-CB 4.27Å; L654-L671 HydrophobicContact CD2-CD2 3.93Å; L654-L671 HydrophobicContact CD2-CG 4.01Å; L654-I717 HydrophobicContact CD1-CG2 3.75Å; L654-I717 HydrophobicContact CD2-CG2 4.48Å; L654-F718 HydrophobicContact CB-CE1 4.42Å; L654-F718 HydrophobicContact CD1-CD1 3.99Å; L654-F718 HydrophobicContact CD1-CE1 4.03Å; L654-F718 HydrophobicContact CD1-CG 4.27Å; L654-F718 HydrophobicContact CD1-CZ 4.35Å; L654-V721 HydrophobicContact CD1-CB 4.13Å; L654-V721 HydrophobicContact CD1-CG1 4.3Å; L654-V721 HydrophobicContact CD1-CG2 4.03Å; L654-V721 HydrophobicContact CG-CG1 4.27Å; L654-V721 HydrophobicContact CG-CG2 4.37Å
655G65.7Low74.6Confident6 Ų664 Ų646%0.06231%0.308CS..SBendtrans-100.4138.417800000113.1F653F653-G655 VanDerWaalsContact C-N 3.3Å; F653-G655 PolarHBondContact O-N 3.19Å
656T65.2Low73.9Confident26 Ų2661.9 Ų61.916%0.1630%0.295CS..  trans-87.4115172.144.60000112.1R658 E725T656-R658 PolarHBondContact O-N 3.35Å; T656-E725 WeakPolarHBondContact CB-OE2 3.26Å; T656-E725 WeakPolarHBondContact CG2-OE2 3.33Å; T656-E725 VanDerWaalsContact OG1-CD 3.32Å; T656-E725 PolarHBondContact OG1-OE1 2.96Å; T656-E725 PolarHBondContact OG1-OE2 3.28Å
657Y64.3Low73.5Confident153 Ų15363.1 Ų63.160%0.630%0.302SS*.  trans-69.1119.4175.656.9-88.3000111
658R63.5Low73.3Confident98 Ų9860.7 Ų60.737%0.3729%0.291SS..  trans-105-36.4176-71.3179.1158172-7.1113.3T656 D666 H728 N729 S957T656-R658 PolarHBondContact O-N 3.35Å; R658-D666 PolarHBondContact N-OD2 2.9Å; R658-H728 PolarHBondContact NH1-NE2 3.26Å; R658-N729 PolarHBondContact NH2-OD1 2.97Å; R658-S957 PolarHBondContact NE-OG 3.45Å; R658-S957 PolarHBondContact NH2-OG 3.34Å
659S65.5Low73.2Confident63 Ų6359.9 Ų59.944%0.44129%0.286SS..  trans-157.9152.2174.6-172.60000112.1K661 T662 I663S659-K661 PolarHBondContact O-N 2.94Å; S659-K661 PolarHBondContact OG-N 2.73Å; S659-T662 WeakPolarHBondContact CB-OG1 3.32Å; S659-T662 PolarHBondContact N-OG1 2.82Å; S659-T662 PolarHBondContact O-N 3.01Å; S659-T662 VanDerWaalsContact O-N 3.08Å; S659-T662 PolarHBondContact O-OG1 3.26Å; S659-I663 PolarHBondContact O-N 3.28Å; S659-I663 VanDerWaalsContact O-N 3.12Å
660F68.1Low73.1Confident192 Ų19260.9 Ų60.984%0.84230%0.296SS*.G310 helixtrans-57.8-35.7168.8-82.6-84.9000112.3T662 I663F660-T662 VanDerWaalsContact C-N 3.26Å; F660-T662 PolarHBondContact O-N 3.48Å; F660-I663 WeakPolarHBondContact O-CG2 3.35Å
661K68.1Low73.4Confident148 Ų14861 Ų6164%0.64330%0.296SS*.G310 helixtrans-64.8-26.9175.4-89-163.5170.4-168.20113S659 E875S659-K661 PolarHBondContact O-N 2.94Å; S659-K661 PolarHBondContact OG-N 2.73Å; K661-E875 IonicContact NZ-OE1 2.72Å; K661-E875 PolarHBondContact NZ-OE1 2.92Å; K661-E875 IonicContact NZ-OE2 2.76Å; K661-E875 PolarHBondContact NZ-OE2 3.39Å
662T70.9Confident73.6Confident44 Ų4460.6 Ų60.627%0.2729%0.294SS..G310 helixtrans-104.5-0.4-175.752.60000113.9S659 F660 L664 V665 D666S659-T662 WeakPolarHBondContact CB-OG1 3.32Å; S659-T662 PolarHBondContact N-OG1 2.82Å; S659-T662 PolarHBondContact O-N 3.01Å; S659-T662 VanDerWaalsContact O-N 3.08Å; S659-T662 PolarHBondContact O-OG1 3.26Å; F660-T662 VanDerWaalsContact C-N 3.26Å; F660-T662 PolarHBondContact O-N 3.48Å; T662-L664 VanDerWaalsContact C-N 3.32Å; T662-L664 PolarHBondContact O-N 3.44Å; T662-L664 VanDerWaalsContact O-N 3.16Å; T662-V665 WeakPolarHBondContact O-CA 3.4Å; T662-V665 WeakPolarHBondContact O-CB 3.32Å; T662-V665 PolarHBondContact O-N 2.98Å; T662-D666 VanDerWaalsContact CB-OD2 3.22Å; T662-D666 WeakPolarHBondContact CB-OD2 3.46Å; T662-D666 PolarHBondContact O-N 2.96Å; T662-D666 PolarHBondContact OG1-OD2 3.41Å
663I73.1Confident74Confident69 Ų6959.6 Ų59.635%0.35429%0.289SS..Hα-helixtrans-54.1-41.3-171.6-162170000113.8S659 F660 V665 D666 M667S659-I663 PolarHBondContact O-N 3.28Å; S659-I663 VanDerWaalsContact O-N 3.12Å; F660-I663 WeakPolarHBondContact O-CG2 3.35Å; I663-V665 PolarHBondContact O-N 3.29Å; I663-D666 PolarHBondContact O-N 3.36Å; I663-M667 HydrophobicContact CG1-CE 4.36Å; I663-M667 HydrophobicContact CG1-CG 4Å; I663-M667 VanDerWaalsContact O-CB 3.29Å; I663-M667 WeakPolarHBondContact O-CB 3.44Å; I663-M667 WeakPolarHBondContact O-CG 3.3Å; I663-M667 PolarHBondContact O-N 2.91Å
664L73.1Confident74.5Confident103 Ų10356.3 Ų56.354%0.53928%0.278SS..Hα-helixtrans-71.5-7.9178.2-62.5178.6000114.5T662 F864 D865T662-L664 VanDerWaalsContact C-N 3.32Å; T662-L664 PolarHBondContact O-N 3.44Å; T662-L664 VanDerWaalsContact O-N 3.16Å; L664-F864 HydrophobicContact CB-CD1 3.8Å; L664-F864 HydrophobicContact CB-CE1 4.04Å; L664-F864 HydrophobicContact CB-CG 4.12Å; L664-F864 HydrophobicContact CD1-CE2 4.31Å; L664-F864 HydrophobicContact CD1-CZ 4.38Å; L664-F864 VanDerWaalsContact O-CA 3.31Å; L664-F864 WeakPolarHBondContact O-CA 3.46Å; L664-D865 PolarHBondContact O-N 3.17Å
665V72.9Confident75.1Confident10 Ų1056.1 Ų56.16%0.06128%0.277CS..Hα-helixtrans-104.4-41.3173-177.10000110.9T662 I663 R858 Y859 F864 L872T662-V665 WeakPolarHBondContact O-CA 3.4Å; T662-V665 WeakPolarHBondContact O-CB 3.32Å; T662-V665 PolarHBondContact O-N 2.98Å; I663-V665 PolarHBondContact O-N 3.29Å; V665-R858 PolarHBondContact O-NH1 3.24Å; V665-R858 PolarHBondContact O-NH2 3.46Å; V665-R858 VanDerWaalsContact O-NH2 3.08Å; V665-Y859 HydrophobicContact CG1-CD2 3.99Å; V665-Y859 HydrophobicContact CG1-CE2 4.13Å; V665-F864 HydrophobicContact CG2-CD1 3.76Å; V665-F864 HydrophobicContact CG2-CE1 4.05Å; V665-L872 HydrophobicContact CG2-CB 4.49Å
666D72.3Confident76.1Confident10 Ų1056.5 Ų56.55%0.05328%0.278CS..Hα-helixtrans-74.4-26.4-179.5-66.3-26.2000113.3R658 T662 I663 Y859R658-D666 PolarHBondContact N-OD2 2.9Å; T662-D666 VanDerWaalsContact CB-OD2 3.22Å; T662-D666 WeakPolarHBondContact CB-OD2 3.46Å; T662-D666 PolarHBondContact O-N 2.96Å; T662-D666 PolarHBondContact OG1-OD2 3.41Å; I663-D666 PolarHBondContact O-N 3.36Å; D666-Y859 WeakPolarHBondContact OD1-CE2 2.98Å; D666-Y859 PolarHBondContact OD1-OH 2.72Å; D666-Y859 VanDerWaalsContact OD1-OH 3.12Å
667M73.9Confident77.3Confident28 Ų2859.8 Ų59.814%0.13830%0.295CS..  trans-61.5136.3171.8-76.9-67.610300111.1I663 I669 D865I663-M667 HydrophobicContact CG1-CE 4.36Å; I663-M667 HydrophobicContact CG1-CG 4Å; I663-M667 VanDerWaalsContact O-CB 3.29Å; I663-M667 WeakPolarHBondContact O-CB 3.44Å; I663-M667 WeakPolarHBondContact O-CG 3.3Å; I663-M667 PolarHBondContact O-N 2.91Å; M667-I669 HydrophobicContact CB-CD1 4.19Å; M667-I669 HydrophobicContact CB-CG1 4.25Å; M667-I669 HydrophobicContact CG-CD1 4.4Å; M667-D865 WeakPolarHBondContact O-CB 3.39Å
668R78.9Confident78.7Confident12 Ų1253.1 Ų53.15%0.04527%0.269CS..  trans-115.942179.9-63-174.8-177.2-104.510.1111L654 T670 L671 G672 E725 D855L654-R668 HydrophobicContact CD2-CB 4.49Å; R668-T670 PolarHBondContact O-N 2.95Å; R668-L671 HydrophobicContact CB-CB 4.24Å; R668-L671 PolarHBondContact O-N 3.29Å; R668-G672 PolarHBondContact O-N 3.06Å; R668-E725 IonicContact CZ-OE1 2.79Å; R668-E725 VanDerWaalsContact CZ-OE1 3.22Å; R668-E725 IonicContact NE-OE1 2.75Å; R668-E725 PolarHBondContact NE-OE1 2.78Å; R668-E725 IonicContact NH2-OE1 2.76Å; R668-E725 PolarHBondContact NH2-OE1 3.35Å; R668-D855 IonicContact CZ-OD2 2.7Å; R668-D855 IonicContact NH1-OD2 3.2Å; R668-D855 PolarHBondContact NH1-OD2 2.86Å
669I82.2Confident80Confident63 Ų6348.4 Ų48.432%0.32325%0.251SS..Hα-helixtrans-65.1-40.7-175-63.4164.5000110.1M667 L671 G672 L673 D865 V866M667-I669 HydrophobicContact CB-CD1 4.19Å; M667-I669 HydrophobicContact CB-CG1 4.25Å; M667-I669 HydrophobicContact CG-CD1 4.4Å; I669-L671 PolarHBondContact O-N 2.91Å; I669-G672 PolarHBondContact O-N 2.86Å; I669-L673 VanDerWaalsContact O-CB 3.24Å; I669-L673 WeakPolarHBondContact O-CB 3.33Å; I669-L673 PolarHBondContact O-N 3Å; I669-D865 WeakPolarHBondContact CA-OD2 3.44Å; I669-D865 WeakPolarHBondContact CB-OD2 3.49Å; I669-D865 PolarHBondContact N-OD2 2.81Å; I669-V866 HydrophobicContact CB-CG2 4.41Å; I669-V866 HydrophobicContact CG2-CG2 4.37Å
670T85.1Confident81.2Confident56 Ų5648.7 Ų48.734%0.34425%0.247SC..Hα-helixtrans-63.9-40176.466.20000112.2R668 A674 D865 V866R668-T670 PolarHBondContact O-N 2.95Å; T670-A674 VanDerWaalsContact O-CB 3.23Å; T670-A674 WeakPolarHBondContact O-CB 3.38Å; T670-A674 PolarHBondContact O-N 2.88Å; T670-D865 WeakPolarHBondContact CB-OD1 3.43Å; T670-D865 VanDerWaalsContact CG2-OD1 3.28Å; T670-D865 WeakPolarHBondContact CG2-OD1 3.43Å; T670-D865 PolarHBondContact N-OD2 3.03Å; T670-D865 PolarHBondContact OG1-OD1 3.13Å; T670-V866 HydrophobicContact CG2-CG2 4.26Å
671L87.7Confident82.5Confident4 Ų440.3 Ų40.32%0.02121%0.213CC..Hα-helixtrans-70.4-40.6177.7-172.571.2000111.9L654 R668 I669 A674 G675 V721 F848 L851 L852L654-L671 HydrophobicContact CD2-CB 4.27Å; L654-L671 HydrophobicContact CD2-CD2 3.93Å; L654-L671 HydrophobicContact CD2-CG 4.01Å; R668-L671 HydrophobicContact CB-CB 4.24Å; R668-L671 PolarHBondContact O-N 3.29Å; I669-L671 PolarHBondContact O-N 2.91Å; L671-A674 PolarHBondContact O-N 3.5Å; L671-G675 PolarHBondContact O-N 3.15Å; L671-V721 HydrophobicContact CD2-CG2 4.06Å; L671-F848 HydrophobicContact CD1-CD2 4.35Å; L671-F848 HydrophobicContact CD1-CE2 3.63Å; L671-F848 HydrophobicContact CD1-CZ 3.78Å; L671-F848 HydrophobicContact CD2-CZ 4.07Å; L671-F848 HydrophobicContact CG-CE2 3.82Å; L671-F848 HydrophobicContact CG-CZ 3.8Å; L671-L851 HydrophobicContact CD1-CB 4.08Å; L671-L852 HydrophobicContact CD1-CB 4.48Å; L671-L852 HydrophobicContact CD2-CD1 3.81Å
672G84.8Confident83.7Confident0 Ų033.2 Ų33.20%018%0.183CC..Hα-helixtrans-63.3-46.5174.500000112.3R668 I669 G675 V676R668-G672 PolarHBondContact O-N 3.06Å; I669-G672 PolarHBondContact O-N 2.86Å; G672-G675 PolarHBondContact O-N 3.23Å; G672-V676 WeakPolarHBondContact O-CG2 3.35Å; G672-V676 PolarHBondContact O-N 3.18Å
673L85.3Confident84.8Confident73 Ų7331.8 Ų31.838%0.38217%0.174SC..Hα-helixtrans-58.9-48.9172.6175.162000111.6F647 I669 G675 V676 L677F647-L673 HydrophobicContact CD2-CD1 4.42Å; F647-L673 HydrophobicContact CE2-CB 3.99Å; F647-L673 HydrophobicContact CE2-CD1 3.58Å; F647-L673 HydrophobicContact CE2-CG 4.37Å; F647-L673 HydrophobicContact CZ-CD1 4.06Å; I669-L673 VanDerWaalsContact O-CB 3.24Å; I669-L673 WeakPolarHBondContact O-CB 3.33Å; I669-L673 PolarHBondContact O-N 3Å; L673-G675 VanDerWaalsContact C-N 3.29Å; L673-G675 PolarHBondContact O-N 3.47Å; L673-V676 PolarHBondContact O-N 3.02Å; L673-L677 HydrophobicContact CD1-CD1 3.93Å; L673-L677 HydrophobicContact CD1-CG 4.06Å; L673-L677 HydrophobicContact CG-CD1 3.89Å; L673-L677 HydrophobicContact CG-CG 4.41Å; L673-L677 WeakPolarHBondContact O-CB 3.21Å; L673-L677 VanDerWaalsContact O-CG 3.28Å; L673-L677 WeakPolarHBondContact O-CG 3.25Å; L673-L677 PolarHBondContact O-N 2.65Å
674A88.6Confident85.8Confident19 Ų1932.6 Ų32.616%0.15718%0.179CC..Hα-helixtrans-65.7-32.5179.600000112.5T670 L671 I678 L851T670-A674 VanDerWaalsContact O-CB 3.23Å; T670-A674 WeakPolarHBondContact O-CB 3.38Å; T670-A674 PolarHBondContact O-N 2.88Å; L671-A674 PolarHBondContact O-N 3.5Å; A674-I678 WeakPolarHBondContact O-CB 3.36Å; A674-I678 WeakPolarHBondContact O-CG1 3.22Å; A674-I678 PolarHBondContact O-N 2.82Å; A674-L851 HydrophobicContact CB-CD1 3.71Å; A674-L851 HydrophobicContact CB-CD2 4.41Å
675G88.5Confident86.9Confident2 Ų227.8 Ų27.82%0.02115%0.154CC..Hα-helixtrans-62.5-49171.100000112.9L671 G672 L673 I678 V679L671-G675 PolarHBondContact O-N 3.15Å; G672-G675 PolarHBondContact O-N 3.23Å; L673-G675 VanDerWaalsContact C-N 3.29Å; L673-G675 PolarHBondContact O-N 3.47Å; G675-I678 PolarHBondContact O-N 3.08Å; G675-V679 PolarHBondContact O-N 3.5Å; G675-V679 VanDerWaalsContact O-N 3.09Å
676V86.8Confident88Confident14 Ų1427.4 Ų27.49%0.08515%0.151CC..Hα-helixtrans-65.7-37.8176175.90000111.5F647 V650 G672 L673 V679 L680 L710F647-V676 HydrophobicContact CD2-CB 4.37Å; F647-V676 HydrophobicContact CD2-CG1 4.43Å; F647-V676 HydrophobicContact CD2-CG2 4.26Å; V650-V676 HydrophobicContact CB-CG2 4.28Å; V650-V676 HydrophobicContact CG1-CG2 4.12Å; V650-V676 HydrophobicContact CG2-CG2 4.46Å; G672-V676 WeakPolarHBondContact O-CG2 3.35Å; G672-V676 PolarHBondContact O-N 3.18Å; L673-V676 PolarHBondContact O-N 3.02Å; V676-V679 WeakPolarHBondContact O-CB 3.32Å; V676-V679 PolarHBondContact O-N 2.95Å; V676-L680 HydrophobicContact CG1-CD1 4.23Å; V676-L680 WeakPolarHBondContact O-CG 3.49Å; V676-L680 PolarHBondContact O-N 2.96Å; V676-L710 HydrophobicContact CG1-CD1 4.27Å; V676-L710 HydrophobicContact CG2-CD1 4.28Å
677L90.1Very high89Confident95 Ų9527.5 Ų27.550%0.49715%0.152SC..Hα-helixtrans-66-35.2174.1-71.3173.3000112.6L673 L680 A681L673-L677 HydrophobicContact CD1-CD1 3.93Å; L673-L677 HydrophobicContact CD1-CG 4.06Å; L673-L677 HydrophobicContact CG-CD1 3.89Å; L673-L677 HydrophobicContact CG-CG 4.41Å; L673-L677 WeakPolarHBondContact O-CB 3.21Å; L673-L677 VanDerWaalsContact O-CG 3.28Å; L673-L677 WeakPolarHBondContact O-CG 3.25Å; L673-L677 PolarHBondContact O-N 2.65Å; L677-L680 PolarHBondContact O-N 3.43Å; L677-A681 WeakPolarHBondContact O-CB 3.44Å; L677-A681 PolarHBondContact O-N 2.95Å
678I93Very high90.1Very high12 Ų1226.2 Ų26.26%0.06215%0.146CC..Hα-helixtrans-64.3-42.7173.3-83.9169.1000111.4A674 G675 A681 S682 L843 Q844 A847 F848 L851A674-I678 WeakPolarHBondContact O-CB 3.36Å; A674-I678 WeakPolarHBondContact O-CG1 3.22Å; A674-I678 PolarHBondContact O-N 2.82Å; G675-I678 PolarHBondContact O-N 3.08Å; I678-A681 PolarHBondContact O-N 2.76Å; I678-S682 PolarHBondContact O-N 3.42Å; I678-L843 HydrophobicContact CG2-CB 3.72Å; I678-Q844 HydrophobicContact CG2-CG 4.34Å; I678-A847 HydrophobicContact CD1-CB 3.81Å; I678-A847 HydrophobicContact CG1-CB 4.46Å; I678-F848 HydrophobicContact CD1-CB 3.9Å; I678-F848 HydrophobicContact CD1-CD2 4.37Å; I678-L851 HydrophobicContact CD1-CD1 3.73Å
679V92Very high90.8Very high0 Ų028.6 Ų28.60%016%0.157CC..Hα-helixtrans-59.8-49.3173.1167.60000110.9G675 V676 A681 S682 V683 V709 L710G675-V679 PolarHBondContact O-N 3.5Å; G675-V679 VanDerWaalsContact O-N 3.09Å; V676-V679 WeakPolarHBondContact O-CB 3.32Å; V676-V679 PolarHBondContact O-N 2.95Å; V679-A681 VanDerWaalsContact C-N 3.32Å; V679-A681 PolarHBondContact O-N 2.93Å; V679-S682 PolarHBondContact O-N 3.41Å; V679-S682 PolarHBondContact O-OG 3.42Å; V679-V683 WeakPolarHBondContact O-CG2 3.34Å; V679-V683 PolarHBondContact O-N 2.64Å; V679-V709 HydrophobicContact CG1-CG1 4.22Å; V679-L710 HydrophobicContact CB-CD1 4.2Å; V679-L710 HydrophobicContact CG1-CB 3.86Å; V679-L710 HydrophobicContact CG1-CD1 3.81Å; V679-L710 HydrophobicContact CG1-CG 4.46Å; V679-L710 HydrophobicContact CG2-CD1 4.31Å
680L90.4Very high91.5Very high68 Ų6827 Ų2736%0.35615%0.147SC..Hα-helixtrans-64.8-37.5179.6-67.6172.4000111.8V676 L677 S682 V683 L684V676-L680 HydrophobicContact CG1-CD1 4.23Å; V676-L680 WeakPolarHBondContact O-CG 3.49Å; V676-L680 PolarHBondContact O-N 2.96Å; L677-L680 PolarHBondContact O-N 3.43Å; L680-S682 PolarHBondContact O-N 3.34Å; L680-V683 PolarHBondContact O-N 3.04Å; L680-L684 WeakPolarHBondContact O-CG 3.22Å; L680-L684 PolarHBondContact O-N 3.29Å
681A93.7Very high91.9Very high16 Ų1624.4 Ų24.413%0.13213%0.131CC..Hα-helixtrans-63.7-35.7175.100000112.9I368 L677 I678 V679 L684 A685 L843I368-A681 HydrophobicContact CD1-CB 4.13Å; I368-A681 HydrophobicContact CG1-CB 4.45Å; I368-A681 HydrophobicContact CG2-CB 4.02Å; L677-A681 WeakPolarHBondContact O-CB 3.44Å; L677-A681 PolarHBondContact O-N 2.95Å; I678-A681 PolarHBondContact O-N 2.76Å; V679-A681 VanDerWaalsContact C-N 3.32Å; V679-A681 PolarHBondContact O-N 2.93Å; A681-L684 PolarHBondContact O-N 3.21Å; A681-A685 WeakPolarHBondContact O-CB 3.33Å; A681-A685 PolarHBondContact O-N 2.72Å; A681-L843 HydrophobicContact CB-CD1 4.27Å
682S95.2Very high92.2Very high0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-68.8-35.7176.375.60000112.7I678 V679 L680 A685 S686 N840I678-S682 PolarHBondContact O-N 3.42Å; V679-S682 PolarHBondContact O-N 3.41Å; V679-S682 PolarHBondContact O-OG 3.42Å; L680-S682 PolarHBondContact O-N 3.34Å; S682-A685 PolarHBondContact O-N 2.85Å; S682-S686 WeakPolarHBondContact O-CB 3.45Å; S682-S686 PolarHBondContact O-N 3.27Å; S682-N840 VanDerWaalsContact CB-N 3.31Å
683V93.6Very high92.7Very high14 Ų1434.2 Ų34.29%0.08518%0.175CC..Hα-helixtrans-66.1-48.1173.8179.50000110.1V679 L680 A685 S686 V687 I705 P706 V709V679-V683 WeakPolarHBondContact O-CG2 3.34Å; V679-V683 PolarHBondContact O-N 2.64Å; L680-V683 PolarHBondContact O-N 3.04Å; V683-A685 VanDerWaalsContact C-N 3.33Å; V683-A685 PolarHBondContact O-N 2.97Å; V683-S686 PolarHBondContact O-N 3.24Å; V683-V687 WeakPolarHBondContact O-CG2 3.46Å; V683-V687 PolarHBondContact O-N 3.25Å; V683-I705 HydrophobicContact CG1-CG2 4.25Å; V683-I705 HydrophobicContact CG2-CG2 4.32Å; V683-P706 HydrophobicContact CG1-CB 4.41Å; V683-P706 HydrophobicContact CG1-CG 4.5Å; V683-P706 HydrophobicContact CG2-CB 4.33Å; V683-V709 HydrophobicContact CG2-CB 3.99Å; V683-V709 HydrophobicContact CG2-CG1 4.19Å; V683-V709 HydrophobicContact CG2-CG2 4.22Å
684L94.2Very high92.9Very high86 Ų8635.5 Ų35.545%0.4518%0.182SC..Hα-helixtrans-62.8-36.5176.3-68173.7000112.6L375 L680 A681 G688L375-L684 HydrophobicContact CD1-CB 4.46Å; L375-L684 HydrophobicContact CD1-CD2 4.12Å; L680-L684 WeakPolarHBondContact O-CG 3.22Å; L680-L684 PolarHBondContact O-N 3.29Å; A681-L684 PolarHBondContact O-N 3.21Å; L684-G688 PolarHBondContact O-N 2.77Å
685A95.6Very high93Very high2 Ų237.1 Ų37.12%0.01719%0.188CC..Hα-helixtrans-67-38.1173.500000112.3L371 A681 S682 V683 F689 F839L371-A685 HydrophobicContact CB-CB 3.8Å; L371-A685 HydrophobicContact CD1-CB 4.04Å; A681-A685 WeakPolarHBondContact O-CB 3.33Å; A681-A685 PolarHBondContact O-N 2.72Å; S682-A685 PolarHBondContact O-N 2.85Å; V683-A685 VanDerWaalsContact C-N 3.33Å; V683-A685 PolarHBondContact O-N 2.97Å; A685-F689 WeakPolarHBondContact O-CB 3.35Å; A685-F689 PolarHBondContact O-N 3.32Å; A685-F839 HydrophobicContact CB-CD2 3.88Å; A685-F839 HydrophobicContact CB-CE2 4.28Å; A685-F839 HydrophobicContact CB-CG 4.42Å
686S95.7Very high93Very high1 Ų139.3 Ų39.31%0.00720%0.202CC..Hα-helixtrans-65.4-47173.8-175.30000111.7S682 V683 G688 F689 W690 Y832 M835 A836S682-S686 WeakPolarHBondContact O-CB 3.45Å; S682-S686 PolarHBondContact O-N 3.27Å; V683-S686 PolarHBondContact O-N 3.24Å; S686-G688 PolarHBondContact O-N 3.4Å; S686-F689 PolarHBondContact O-N 3.17Å; S686-W690 VanDerWaalsContact O-CD1 3.25Å; S686-W690 PolarHBondContact O-N 3.41Å; S686-W690 VanDerWaalsContact O-N 3.07Å; S686-Y832 PolarHBondContact OG-O 2.95Å; S686-M835 WeakPolarHBondContact OG-CB 3.18Å; S686-A836 PolarHBondContact OG-N 2.87Å
687V94.4Very high93.1Very high13 Ų1339 Ų398%0.07920%0.2CC..Hα-helixtrans-62.9-43.8177176.70000111.3L375 L378 V683 W690 S691 I697 Y832L375-V687 HydrophobicContact CD2-CB 4.13Å; L375-V687 HydrophobicContact CD2-CG1 3.55Å; L378-V687 HydrophobicContact CD1-CG1 3.56Å; V683-V687 WeakPolarHBondContact O-CG2 3.46Å; V683-V687 PolarHBondContact O-N 3.25Å; V687-W690 PolarHBondContact O-N 2.9Å; V687-S691 VanDerWaalsContact O-CB 3.3Å; V687-S691 WeakPolarHBondContact O-CB 3.38Å; V687-S691 PolarHBondContact O-N 2.8Å; V687-S691 PolarHBondContact O-OG 2.79Å; V687-I697 HydrophobicContact CG1-CD1 3.82Å; V687-I697 HydrophobicContact CG2-CD1 3.91Å; V687-Y832 HydrophobicContact CB-CE1 4.2Å; V687-Y832 HydrophobicContact CG1-CE1 4.25Å; V687-Y832 HydrophobicContact CG2-CD1 3.94Å; V687-Y832 HydrophobicContact CG2-CE1 3.95Å
688G95.4Very high92.9Very high0 Ų034.7 Ų34.70%018%0.177CC..Hα-helixtrans-63.4-44.9176.400000112.9L371 G374 L684 S686 W690 S691 Y692L371-G688 CarbonylContact O-C 3.56Å; L371-G688 VanDerWaalsContact O-CA 3.3Å; L371-G688 WeakPolarHBondContact O-CA 3.27Å; G374-G688 WeakPolarHBondContact CA-O 3.13Å; L684-G688 PolarHBondContact O-N 2.77Å; S686-G688 PolarHBondContact O-N 3.4Å; G688-W690 PolarHBondContact O-N 3.2Å; G688-S691 PolarHBondContact O-N 2.94Å; G688-Y692 WeakPolarHBondContact O-CD2 3.44Å; G688-Y692 PolarHBondContact O-N 3.03Å
689F95.4Very high92.3Very high63 Ų6337.3 Ų37.328%0.27619%0.191SC..Hα-helixtrans-55.6-48.7175.1174.8-97.1000112.6L371 A685 S686 Y692 L693 M835 F839L371-F689 HydrophobicContact CD2-CB 4.4Å; L371-F689 HydrophobicContact CD2-CD2 4.19Å; A685-F689 WeakPolarHBondContact O-CB 3.35Å; A685-F689 PolarHBondContact O-N 3.32Å; S686-F689 PolarHBondContact O-N 3.17Å; F689-Y692 PolarHBondContact O-N 3.27Å; F689-L693 HydrophobicContact CE1-CD1 4.05Å; F689-L693 HydrophobicContact CZ-CD1 4.11Å; F689-M835 HydrophobicContact CD1-CE 4.09Å; F689-M835 HydrophobicContact CD1-CG 4.41Å; F689-M835 HydrophobicContact CE1-CE 4.06Å; F689-M835 HydrophobicContact CE1-CG 4.4Å; F689-M835 HydrophobicContact CE1-SD 4.45Å; F689-M835 HydrophobicContact CG-CE 4.48Å; F689-M835 HydrophobicContact CZ-CE 4.41Å; F689-F839 HydrophobicContact CB-CE2 4.03Å; F689-F839 HydrophobicContact CB-CZ 4.33Å; F689-F839 HydrophobicContact CD2-CZ 4.46Å; F689-F839 HydrophobicContact CG-CE2 4.4Å; F689-F839 HydrophobicContact CG-CZ 4.33Å
690W95.1Very high91.7Very high30 Ų3038.5 Ų38.511%0.11420%0.197CC..Hα-helixtrans-72.8-27.4178.2-71122.9000113.4S686 V687 G688 L693 N694 L695 L831 Y832 M835S686-W690 VanDerWaalsContact O-CD1 3.25Å; S686-W690 PolarHBondContact O-N 3.41Å; S686-W690 VanDerWaalsContact O-N 3.07Å; V687-W690 PolarHBondContact O-N 2.9Å; G688-W690 PolarHBondContact O-N 3.2Å; W690-L693 HydrophobicContact CE3-CD1 3.71Å; W690-L693 HydrophobicContact CZ3-CD1 3.73Å; W690-L693 CarbonylContact O-C 3.48Å; W690-L693 PolarHBondContact O-N 3.12Å; W690-L693 VanDerWaalsContact O-N 3.14Å; W690-N694 PolarHBondContact O-N 3.24Å; W690-L695 HydrophobicContact CB-CB 4.38Å; W690-L695 HydrophobicContact CD2-CD1 4.04Å; W690-L695 HydrophobicContact CE3-CD1 3.39Å; W690-L695 HydrophobicContact CE3-CG 4.2Å; W690-L695 HydrophobicContact CZ3-CD1 3.82Å; W690-L695 PolarHBondContact O-N 3.34Å; W690-L695 VanDerWaalsContact O-N 3.12Å; W690-L831 HydrophobicContact CH2-CB 4.36Å; W690-L831 HydrophobicContact CH2-CD2 4.08Å; W690-L831 HydrophobicContact CZ2-CB 3.76Å; W690-L831 HydrophobicContact CZ2-CD2 4.07Å; W690-L831 HydrophobicContact CZ2-CG 4.39Å; W690-L831 PolarHBondContact NE1-O 3.36Å; W690-Y832 HydrophobicContact CB-CD2 4.13Å; W690-Y832 HydrophobicContact CB-CE1 4.03Å; W690-Y832 HydrophobicContact CB-CE2 3.46Å; W690-Y832 VanDerWaalsContact CB-CE2 3.46Å; W690-Y832 VanDerWaalsContact CB-CZ 3.41Å; W690-Y832 AromaticContact CD1-CD1 3.99Å; W690-Y832 AromaticContact CD1-CD2 3.42Å; W690-Y832 VanDerWaalsContact CD1-CD2 3.42Å; W690-Y832 AromaticContact CD1-CE2 3.71Å; W690-Y832 AromaticContact CD1-CG 3.58Å; W690-Y832 AromaticContact CG-CD2 3.8Å; W690-Y832 HydrophobicContact CG-CD2 3.8Å; W690-Y832 AromaticContact CG-CE2 3.63Å; W690-Y832 HydrophobicContact CG-CE2 3.63Å; W690-Y832 HydrophobicContact CG-CG 4.33Å; W690-Y832 AromaticContact NE1-CD2 3.97Å; W690-M835 HydrophobicContact CZ2-CG 3.59Å
691S94.2Very high91.5Very high1 Ų135.3 Ų35.31%0.00718%0.181CC..Hα-helixtrans-68.2-36.6173.8-590000112.3G374 L378 V687 G688 L693 N694G374-S691 WeakPolarHBondContact O-CB 3.46Å; L378-S691 WeakPolarHBondContact CD1-OG 3.44Å; V687-S691 VanDerWaalsContact O-CB 3.3Å; V687-S691 WeakPolarHBondContact O-CB 3.38Å; V687-S691 PolarHBondContact O-N 2.8Å; V687-S691 PolarHBondContact O-OG 2.79Å; G688-S691 PolarHBondContact O-N 2.94Å; S691-L693 PolarHBondContact O-N 3.35Å; S691-N694 PolarHBondContact O-N 3.05Å
692Y94.8Very high91Very high110 Ų11038.4 Ų38.443%0.43120%0.198SC..Hα-helixtrans-58.7-28.7169.8-79.5-60000112.9G370 G373 G374 F377 G688 F689 N694G370-Y692 WeakPolarHBondContact O-CE2 3.38Å; G370-Y692 PolarHBondContact O-OH 3.25Å; G373-Y692 VanDerWaalsContact C-OH 3.3Å; G374-Y692 VanDerWaalsContact CA-CZ 3.43Å; G374-Y692 PolarHBondContact N-OH 2.9Å; F377-Y692 HydrophobicContact CD2-CD1 4.13Å; F377-Y692 HydrophobicContact CD2-CE1 4.28Å; F377-Y692 HydrophobicContact CE2-CD1 4.25Å; F377-Y692 HydrophobicContact CE2-CE1 4.1Å; G688-Y692 WeakPolarHBondContact O-CD2 3.44Å; G688-Y692 PolarHBondContact O-N 3.03Å; F689-Y692 PolarHBondContact O-N 3.27Å; Y692-N694 VanDerWaalsContact C-N 3.31Å
693L93.8Very high90.2Very high99 Ų9939.3 Ų39.352%0.51820%0.202SC..THydrogen-bonded Turntrans-90.49.1176.7-61.7175.6000113F689 W690 S691 L695F689-L693 HydrophobicContact CE1-CD1 4.05Å; F689-L693 HydrophobicContact CZ-CD1 4.11Å; W690-L693 HydrophobicContact CE3-CD1 3.71Å; W690-L693 HydrophobicContact CZ3-CD1 3.73Å; W690-L693 CarbonylContact O-C 3.48Å; W690-L693 PolarHBondContact O-N 3.12Å; W690-L693 VanDerWaalsContact O-N 3.14Å; S691-L693 PolarHBondContact O-N 3.35Å; L693-L695 PolarHBondContact O-N 3.47Å
694N91.1Very high89.7Confident100 Ų10038.8 Ų38.854%0.53520%0.199SC..THydrogen-bonded Turntrans55.627.5-177.9-62.1-88.6000114.4W690 S691 Y692W690-N694 PolarHBondContact O-N 3.24Å; S691-N694 PolarHBondContact O-N 3.05Å; Y692-N694 VanDerWaalsContact C-N 3.31Å
695L90.2Very high89.4Confident53 Ų5334.9 Ų34.928%0.27718%0.178SC..PPolyproline II helixtrans-79.4125.5168-62.6-167.9000109.3W690 L693 L831 Y832W690-L695 HydrophobicContact CB-CB 4.38Å; W690-L695 HydrophobicContact CD2-CD1 4.04Å; W690-L695 HydrophobicContact CE3-CD1 3.39Å; W690-L695 HydrophobicContact CE3-CG 4.2Å; W690-L695 HydrophobicContact CZ3-CD1 3.82Å; W690-L695 PolarHBondContact O-N 3.34Å; W690-L695 VanDerWaalsContact O-N 3.12Å; L693-L695 PolarHBondContact O-N 3.47Å; L695-L831 HydrophobicContact CD1-CD1 4.38Å; L695-Y832 HydrophobicContact CB-CE2 4.39Å; L695-Y832 PolarHBondContact O-OH 2.85Å
696P88.5Confident89Confident48 Ų4835.3 Ų35.331%0.31218%0.181SC..PPolyproline II helixtrans-74.6143.7179.630-34.5000111.6Q379 T381Q379-P696 HydrophobicContact CB-CB 4.38Å; Q379-P696 CarbonylContact O-C 3.56Å; Q379-P696 WeakPolarHBondContact O-CA 3.19Å; Q379-P696 WeakPolarHBondContact O-CB 3.47Å; T381-P696 HydrophobicContact CG2-CB 4.16Å; T381-P696 HydrophobicContact CG2-CG 4.29Å
697I89.5Confident88.3Confident7 Ų736 Ų364%0.03618%0.184CC..BIsolated β-bridgetrans-80.1147.7171.5-166.1164.6000110.5L378 Q379 V380 T381 V687 I701 V702 Y832L378-I697 HydrophobicContact CD1-CB 4.06Å; L378-I697 HydrophobicContact CD1-CD1 4.48Å; L378-I697 HydrophobicContact CD1-CG2 3.66Å; L378-I697 HydrophobicContact CG-CG2 4.2Å; Q379-I697 PolarHBondContact O-N 2.92Å; V380-I697 WeakPolarHBondContact CA-O 3.35Å; V380-I697 HydrophobicContact CB-CG2 4.19Å; V380-I697 HydrophobicContact CG1-CG2 4.41Å; V380-I697 HydrophobicContact CG2-CG2 3.75Å; T381-I697 PolarHBondContact N-O 3.26Å; V687-I697 HydrophobicContact CG1-CD1 3.82Å; V687-I697 HydrophobicContact CG2-CD1 3.91Å; I697-I701 HydrophobicContact CD1-CB 4.46Å; I697-I701 HydrophobicContact CD1-CG2 3.78Å; I697-I701 HydrophobicContact CG1-CB 3.91Å; I697-I701 HydrophobicContact CG1-CG2 3.64Å; I697-V702 HydrophobicContact CD1-CG2 3.62Å; I697-V702 HydrophobicContact CG1-CG2 3.99Å; I697-Y832 HydrophobicContact CB-CE1 4.47Å; I697-Y832 HydrophobicContact CD1-CE1 4.37Å; I697-Y832 HydrophobicContact CG1-CE1 4.29Å
698T86Confident87.9Confident5 Ų535.4 Ų35.43%0.03118%0.18CC..  trans-108.7156.417373.70000109.9T381 L387 I700 I701 V702T381-T698 HydrophobicContact CG2-CG2 4.07Å; L387-T698 HydrophobicContact CD2-CG2 3.4Å; L387-T698 VanDerWaalsContact CD2-CG2 3.4Å; T698-I700 PolarHBondContact O-N 3.42Å; T698-I701 HydrophobicContact CG2-CD1 4.26Å; T698-I701 WeakPolarHBondContact O-CB 3.42Å; T698-I701 PolarHBondContact O-N 3.49Å; T698-I701 WeakPolarHBondContact OG1-CD1 3.3Å; T698-I701 WeakPolarHBondContact OG1-CG1 3.45Å; T698-I701 PolarHBondContact OG1-N 3.01Å; T698-V702 PolarHBondContact O-N 2.91Å
699L78.9Confident87.7Confident68 Ų6835.4 Ų35.436%0.35618%0.18SC..Hα-helixtrans-56.6-39.6176.5178.261.8000112.4S632 I701 V702 E703S632-L699 VanDerWaalsContact OG-CD1 3.25Å; S632-L699 WeakPolarHBondContact OG-CD1 3.27Å; S632-L699 WeakPolarHBondContact OG-CD2 3.32Å; L699-I701 PolarHBondContact O-N 3.31Å; L699-V702 PolarHBondContact O-N 2.92Å; L699-V702 VanDerWaalsContact O-N 3.11Å; L699-E703 PolarHBondContact O-N 3.1Å
700I79.9Confident87.3Confident24 Ų2432.6 Ų32.612%0.12317%0.168CC..Hα-helixtrans-54.3-38.5176.5-60.3159.3000111.1W388 T698 V704 A825 F829 L1308W388-I700 HydrophobicContact CH2-CD1 3.91Å; T698-I700 PolarHBondContact O-N 3.42Å; I700-V704 HydrophobicContact CG2-CG2 4.1Å; I700-V704 VanDerWaalsContact O-CB 3.26Å; I700-V704 WeakPolarHBondContact O-CB 3.35Å; I700-V704 VanDerWaalsContact O-CG2 3.25Å; I700-V704 WeakPolarHBondContact O-CG2 3.42Å; I700-V704 PolarHBondContact O-N 3.49Å; I700-A825 HydrophobicContact CD1-CB 4.31Å; I700-F829 HydrophobicContact CG2-CD2 4.43Å; I700-L1308 HydrophobicContact CD1-CD2 3.6Å; I700-L1308 HydrophobicContact CG1-CD2 3.98Å
701I87.2Confident86.8Confident2 Ų231.4 Ų31.41%0.0117%0.165CC..Hα-helixtrans-70.3-41.8-179.9-72.7167.6000111.8I697 T698 L699 E703 I705 V828 F829 Y832I697-I701 HydrophobicContact CD1-CB 4.46Å; I697-I701 HydrophobicContact CD1-CG2 3.78Å; I697-I701 HydrophobicContact CG1-CB 3.91Å; I697-I701 HydrophobicContact CG1-CG2 3.64Å; T698-I701 HydrophobicContact CG2-CD1 4.26Å; T698-I701 WeakPolarHBondContact O-CB 3.42Å; T698-I701 PolarHBondContact O-N 3.49Å; T698-I701 WeakPolarHBondContact OG1-CD1 3.3Å; T698-I701 WeakPolarHBondContact OG1-CG1 3.45Å; T698-I701 PolarHBondContact OG1-N 3.01Å; L699-I701 PolarHBondContact O-N 3.31Å; I701-E703 PolarHBondContact O-N 3.22Å; I701-I705 HydrophobicContact CB-CD1 4.4Å; I701-I705 HydrophobicContact CG1-CD1 4.29Å; I701-I705 HydrophobicContact CG2-CD1 3.79Å; I701-I705 HydrophobicContact CG2-CG1 4.27Å; I701-I705 WeakPolarHBondContact O-CB 3.4Å; I701-I705 PolarHBondContact O-N 3.44Å; I701-V828 HydrophobicContact CD1-CB 4.26Å; I701-V828 HydrophobicContact CD1-CG1 3.67Å; I701-F829 HydrophobicContact CG1-CB 4.19Å; I701-F829 HydrophobicContact CG1-CD2 4.24Å; I701-Y832 HydrophobicContact CD1-CD1 4.46Å; I701-Y832 HydrophobicContact CD1-CD2 4.17Å; I701-Y832 HydrophobicContact CD1-CE2 4.5Å; I701-Y832 HydrophobicContact CD1-CG 4.14Å; I701-Y832 HydrophobicContact CG2-CD1 3.63Å; I701-Y832 HydrophobicContact CG2-CE1 4.19Å; I701-Y832 HydrophobicContact CG2-CG 4.11Å
702V82.8Confident86.5Confident80 Ų8031.4 Ų31.449%0.48517%0.165SC..Hα-helixtrans-59.6-36.7-179.6178.20000111.4I697 T698 L699 P706I697-V702 HydrophobicContact CD1-CG2 3.62Å; I697-V702 HydrophobicContact CG1-CG2 3.99Å; T698-V702 PolarHBondContact O-N 2.91Å; L699-V702 PolarHBondContact O-N 2.92Å; L699-V702 VanDerWaalsContact O-N 3.11Å; V702-P706 WeakPolarHBondContact O-CD 3.11Å; V702-P706 WeakPolarHBondContact O-CG 3.4Å
703E77.4Confident86.3Confident20 Ų2026.2 Ų26.29%0.09314%0.144CC..Hα-helixtrans-88.8-53-177.8177.9171.2178.600113.6I639 Y643 L699 I701 F1377I639-E703 HydrophobicContact CD1-CB 4.36Å; I639-E703 HydrophobicContact CD1-CG 3.69Å; I639-E703 WeakPolarHBondContact CD1-OE1 3.3Å; I639-E703 HydrophobicContact CG1-CG 4.23Å; Y643-E703 PolarHBondContact OH-O 2.81Å; L699-E703 PolarHBondContact O-N 3.1Å; I701-E703 PolarHBondContact O-N 3.22Å; E703-F1377 VanDerWaalsContact OE1-CD1 3.28Å; E703-F1377 WeakPolarHBondContact OE1-CD1 3.35Å; E703-F1377 WeakPolarHBondContact OE1-CE1 3.2Å; E703-F1377 WeakPolarHBondContact OE2-CE1 3.44Å; E703-F1377 WeakPolarHBondContact OE2-CZ 3.45Å
704V83.6Confident86Confident3 Ų321.5 Ų21.52%0.01812%0.12CC..Hα-helixtrans-76.3-39.2-166178.20000112.3I700 F707 L708 F829 Y1381 Y1385I700-V704 HydrophobicContact CG2-CG2 4.1Å; I700-V704 VanDerWaalsContact O-CB 3.26Å; I700-V704 WeakPolarHBondContact O-CB 3.35Å; I700-V704 VanDerWaalsContact O-CG2 3.25Å; I700-V704 WeakPolarHBondContact O-CG2 3.42Å; I700-V704 PolarHBondContact O-N 3.49Å; V704-F707 PolarHBondContact O-N 2.75Å; V704-L708 WeakPolarHBondContact O-CB 3.3Å; V704-L708 PolarHBondContact O-N 3.28Å; V704-F829 HydrophobicContact CB-CE2 3.88Å; V704-F829 HydrophobicContact CG1-CE2 3.54Å; V704-F829 HydrophobicContact CG1-CZ 3.87Å; V704-Y1381 HydrophobicContact CG2-CD1 4.23Å; V704-Y1381 HydrophobicContact CG2-CE1 3.37Å; V704-Y1385 VanDerWaalsContact CG1-OH 3.26Å; V704-Y1385 WeakPolarHBondContact CG1-OH 3.42Å
705I88.9Confident85.8Confident3 Ų316.8 Ų16.82%0.01510%0.095CC..Hα-helixtrans-65.7-47.3-174.8-60-163.1000112.5V683 I701 F707 L708 V709 F829 A833 A836V683-I705 HydrophobicContact CG1-CG2 4.25Å; V683-I705 HydrophobicContact CG2-CG2 4.32Å; I701-I705 HydrophobicContact CB-CD1 4.4Å; I701-I705 HydrophobicContact CG1-CD1 4.29Å; I701-I705 HydrophobicContact CG2-CD1 3.79Å; I701-I705 HydrophobicContact CG2-CG1 4.27Å; I701-I705 WeakPolarHBondContact O-CB 3.4Å; I701-I705 PolarHBondContact O-N 3.44Å; I705-F707 PolarHBondContact O-N 3.38Å; I705-L708 PolarHBondContact O-N 2.82Å; I705-V709 HydrophobicContact CG2-CG2 3.73Å; I705-V709 WeakPolarHBondContact O-CB 3.39Å; I705-V709 VanDerWaalsContact O-CG2 3.29Å; I705-V709 WeakPolarHBondContact O-CG2 3.43Å; I705-V709 PolarHBondContact O-N 3.42Å; I705-F829 HydrophobicContact CD1-CD2 4.12Å; I705-F829 HydrophobicContact CD1-CE2 4.17Å; I705-F829 HydrophobicContact CG1-CD2 3.93Å; I705-F829 HydrophobicContact CG1-CE2 3.59Å; I705-F829 HydrophobicContact CG1-CZ 4.48Å; I705-A833 HydrophobicContact CD1-CB 4.08Å; I705-A836 HydrophobicContact CG2-CB 3.89Å
706P86Confident85.8Confident12 Ų1214.3 Ų14.38%0.0788%0.081CC..Hα-helixtrans-62.5-26.8174.917.1-23.8000113.4Y643 V683 V702 L710Y643-P706 HydrophobicContact CE1-CB 4.22Å; Y643-P706 WeakPolarHBondContact OH-CB 3.47Å; Y643-P706 WeakPolarHBondContact OH-CG 3.4Å; V683-P706 HydrophobicContact CG1-CB 4.41Å; V683-P706 HydrophobicContact CG1-CG 4.5Å; V683-P706 HydrophobicContact CG2-CB 4.33Å; V702-P706 WeakPolarHBondContact O-CD 3.11Å; V702-P706 WeakPolarHBondContact O-CG 3.4Å; P706-L710 WeakPolarHBondContact O-CB 3.42Å; P706-L710 PolarHBondContact O-N 3.01Å; P706-L710 VanDerWaalsContact O-N 3.09Å
707F81.6Confident85.8Confident14 Ų1412.1 Ų12.16%0.0617%0.067CC..Hα-helixtrans-72.7-42.2174.7175.2-92.3000111.7Y643 M646 V704 I705 A711 K1362 I1366 Y1385Y643-F707 WeakPolarHBondContact OH-CA 3.49Å; Y643-F707 PolarHBondContact OH-N 3.45Å; M646-F707 HydrophobicContact CE-CD2 4.01Å; M646-F707 HydrophobicContact CE-CE2 4.36Å; M646-F707 HydrophobicContact SD-CD2 4.42Å; M646-F707 HydrophobicContact SD-CE2 4.32Å; V704-F707 PolarHBondContact O-N 2.75Å; I705-F707 PolarHBondContact O-N 3.38Å; F707-A711 PolarHBondContact O-N 2.83Å; F707-K1362 HydrophobicContact CE1-CD 4.04Å; F707-K1362 HydrophobicContact CE2-CD 4.05Å; F707-K1362 HydrophobicContact CZ-CD 3.57Å; F707-K1362 PolarHBondContact O-NZ 2.74Å; F707-I1366 HydrophobicContact CE2-CG1 4.1Å; F707-I1366 HydrophobicContact CZ-CD1 4.02Å; F707-I1366 HydrophobicContact CZ-CG1 3.65Å; F707-Y1385 AromaticContact CD1-CD2 3.98Å; F707-Y1385 HydrophobicContact CD1-CD2 3.98Å; F707-Y1385 AromaticContact CD1-CE2 3.73Å; F707-Y1385 HydrophobicContact CD1-CE2 3.73Å; F707-Y1385 AromaticContact CE1-CD2 3.47Å; F707-Y1385 HydrophobicContact CE1-CD2 3.47Å; F707-Y1385 VanDerWaalsContact CE1-CD2 3.47Å; F707-Y1385 AromaticContact CE1-CE2 3.71Å; F707-Y1385 HydrophobicContact CE1-CE2 3.71Å; F707-Y1385 HydrophobicContact CE1-CG 4.27Å; F707-Y1385 AromaticContact CZ-CD2 4Å; F707-Y1385 HydrophobicContact CZ-CD2 4Å
708L86.3Confident85.7Confident1 Ų112.5 Ų12.51%0.0057%0.068CC..Hα-helixtrans-64.2-53.5177.2178.1153.6000111.3V704 I705 L710 A711 I712 F815 F829 I837 V1315V704-L708 WeakPolarHBondContact O-CB 3.3Å; V704-L708 PolarHBondContact O-N 3.28Å; I705-L708 PolarHBondContact O-N 2.82Å; L708-L710 VanDerWaalsContact C-N 3.29Å; L708-L710 PolarHBondContact O-N 3.32Å; L708-A711 WeakPolarHBondContact O-CA 3.27Å; L708-A711 WeakPolarHBondContact O-CB 3.48Å; L708-A711 PolarHBondContact O-N 3.45Å; L708-I712 HydrophobicContact CD2-CD1 3.62Å; L708-I712 HydrophobicContact CG-CD1 4.22Å; L708-I712 PolarHBondContact O-N 2.82Å; L708-F815 HydrophobicContact CD1-CE1 4.37Å; L708-F815 HydrophobicContact CD1-CE2 4.4Å; L708-F815 HydrophobicContact CD1-CZ 3.79Å; L708-F829 HydrophobicContact CD1-CZ 4.07Å; L708-I837 HydrophobicContact CD2-CD1 4.1Å; L708-I837 HydrophobicContact CD2-CG1 4.18Å; L708-V1315 HydrophobicContact CD1-CB 4.32Å; L708-V1315 HydrophobicContact CD1-CG1 3.85Å; L708-V1315 HydrophobicContact CD1-CG2 3.62Å
709V91.2Very high85.7Confident0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-70.5-28.6-176-175.80000110.9V679 V683 I705 A711 G713 A836 N840V679-V709 HydrophobicContact CG1-CG1 4.22Å; V683-V709 HydrophobicContact CG2-CB 3.99Å; V683-V709 HydrophobicContact CG2-CG1 4.19Å; V683-V709 HydrophobicContact CG2-CG2 4.22Å; I705-V709 HydrophobicContact CG2-CG2 3.73Å; I705-V709 WeakPolarHBondContact O-CB 3.39Å; I705-V709 VanDerWaalsContact O-CG2 3.29Å; I705-V709 WeakPolarHBondContact O-CG2 3.43Å; I705-V709 PolarHBondContact O-N 3.42Å; V709-A711 VanDerWaalsContact C-N 3.3Å; V709-A711 PolarHBondContact O-N 3.25Å; V709-G713 VanDerWaalsContact O-CA 3.32Å; V709-G713 WeakPolarHBondContact O-CA 3.41Å; V709-G713 PolarHBondContact O-N 3.23Å; V709-A836 HydrophobicContact CG2-CB 3.72Å; V709-N840 HydrophobicContact CG1-CB 3.68Å
710L87Confident86.2Confident4 Ų49.7 Ų9.72%0.0215%0.054CC..Hα-helixtrans-71.2-19.6168.4-170.570000113.4Y643 M646 V676 V679 P706 L708 V714Y643-L710 HydrophobicContact CD1-CD2 3.66Å; Y643-L710 HydrophobicContact CE1-CD2 3.92Å; M646-L710 HydrophobicContact CB-CD2 4.02Å; M646-L710 HydrophobicContact CE-CD2 3.77Å; M646-L710 HydrophobicContact SD-CD2 3.84Å; V676-L710 HydrophobicContact CG1-CD1 4.27Å; V676-L710 HydrophobicContact CG2-CD1 4.28Å; V679-L710 HydrophobicContact CB-CD1 4.2Å; V679-L710 HydrophobicContact CG1-CB 3.86Å; V679-L710 HydrophobicContact CG1-CD1 3.81Å; V679-L710 HydrophobicContact CG1-CG 4.46Å; V679-L710 HydrophobicContact CG2-CD1 4.31Å; P706-L710 WeakPolarHBondContact O-CB 3.42Å; P706-L710 PolarHBondContact O-N 3.01Å; P706-L710 VanDerWaalsContact O-N 3.09Å; L708-L710 VanDerWaalsContact C-N 3.29Å; L708-L710 PolarHBondContact O-N 3.32Å; L710-V714 HydrophobicContact CD1-CG2 3.54Å; L710-V714 HydrophobicContact CG-CG2 3.96Å; L710-V714 WeakPolarHBondContact O-CB 3.34Å; L710-V714 WeakPolarHBondContact O-CG2 3.41Å; L710-V714 PolarHBondContact O-N 3.21Å
711A83.2Confident86.5Confident5 Ų58.8 Ų8.84%0.0415%0.049CC..Hα-helixtrans-71.1-62.2172.100000110.6F707 L708 V709 G713 V714 D715 I1319 K1362F707-A711 PolarHBondContact O-N 2.83Å; L708-A711 WeakPolarHBondContact O-CA 3.27Å; L708-A711 WeakPolarHBondContact O-CB 3.48Å; L708-A711 PolarHBondContact O-N 3.45Å; V709-A711 VanDerWaalsContact C-N 3.3Å; V709-A711 PolarHBondContact O-N 3.25Å; A711-G713 VanDerWaalsContact C-N 3.3Å; A711-G713 PolarHBondContact O-N 2.9Å; A711-V714 PolarHBondContact O-N 2.9Å; A711-D715 PolarHBondContact O-N 3Å; A711-D715 VanDerWaalsContact O-N 3.11Å; A711-I1319 HydrophobicContact CB-CD1 4.46Å; A711-K1362 HydrophobicContact CB-CD 3.55Å; A711-K1362 HydrophobicContact CB-CG 4.19Å
712I89.8Confident86.2Confident2 Ų211.5 Ų11.51%0.016%0.062CC..Hα-helixtrans-59.4-44.7-179.3-58.8150.7000109.9L708 D715 N716 E811 I837L708-I712 HydrophobicContact CD2-CD1 3.62Å; L708-I712 HydrophobicContact CG-CD1 4.22Å; L708-I712 PolarHBondContact O-N 2.82Å; I712-D715 PolarHBondContact O-N 3.31Å; I712-N716 WeakPolarHBondContact O-CB 3.43Å; I712-N716 PolarHBondContact O-N 3.49Å; I712-N716 VanDerWaalsContact O-N 3.09Å; I712-E811 WeakPolarHBondContact CD1-OE1 3.49Å; I712-E811 WeakPolarHBondContact CD1-OE2 3.45Å; I712-E811 WeakPolarHBondContact CG1-OE1 3.4Å; I712-E811 VanDerWaalsContact CG1-OE2 3.26Å; I712-E811 WeakPolarHBondContact CG1-OE2 3.14Å; I712-E811 WeakPolarHBondContact CG2-OE2 3.31Å; I712-I837 HydrophobicContact CD1-CD1 4.05Å; I712-I837 HydrophobicContact CD1-CG1 4.02Å
713G89.7Confident86.2Confident0 Ų09 Ų90%05%0.045CC..Hα-helixtrans-64.5-46.2-178.600000113.2V709 A711 I717 N840 Q844V709-G713 VanDerWaalsContact O-CA 3.32Å; V709-G713 WeakPolarHBondContact O-CA 3.41Å; V709-G713 PolarHBondContact O-N 3.23Å; A711-G713 VanDerWaalsContact C-N 3.3Å; A711-G713 PolarHBondContact O-N 2.9Å; G713-I717 WeakPolarHBondContact O-CB 3.3Å; G713-I717 WeakPolarHBondContact O-CD1 3.28Å; G713-I717 WeakPolarHBondContact O-CG1 3.37Å; G713-I717 PolarHBondContact O-N 3.33Å; G713-I717 VanDerWaalsContact O-N 3.16Å; G713-N840 WeakPolarHBondContact CA-ND2 3.49Å; G713-Q844 VanDerWaalsContact C-NE2 3.33Å; G713-Q844 PolarHBondContact O-NE2 3.01Å
714V87Confident86.6Confident1 Ų18.5 Ų8.51%0.0064%0.042CC..Hα-helixtrans-67.5-39.4179.2168.30000111.5V650 L710 A711 I717 F718 T1361V650-V714 HydrophobicContact CG2-CB 4.36Å; V650-V714 HydrophobicContact CG2-CG1 3.6Å; V650-V714 HydrophobicContact CG2-CG2 3.73Å; L710-V714 HydrophobicContact CD1-CG2 3.54Å; L710-V714 HydrophobicContact CG-CG2 3.96Å; L710-V714 WeakPolarHBondContact O-CB 3.34Å; L710-V714 WeakPolarHBondContact O-CG2 3.41Å; L710-V714 PolarHBondContact O-N 3.21Å; A711-V714 PolarHBondContact O-N 2.9Å; V714-I717 WeakPolarHBondContact O-CB 3.36Å; V714-I717 PolarHBondContact O-N 3.06Å; V714-F718 HydrophobicContact CG1-CD2 3.48Å; V714-F718 VanDerWaalsContact CG1-CD2 3.48Å; V714-F718 HydrophobicContact CG1-CE2 3.54Å; V714-F718 WeakPolarHBondContact O-CD2 3.31Å; V714-F718 PolarHBondContact O-N 2.8Å; V714-T1361 HydrophobicContact CG1-CG2 4.13Å
715D87.3Confident86.3Confident1 Ų19.8 Ų9.81%0.0055%0.048CC..Hα-helixtrans-65.3-49.6179.6-161.457.7000112.1A711 I712 I717 F718 I719 G1357 I1358A711-D715 PolarHBondContact O-N 3Å; A711-D715 VanDerWaalsContact O-N 3.11Å; I712-D715 PolarHBondContact O-N 3.31Å; D715-I717 PolarHBondContact O-N 3.17Å; D715-F718 PolarHBondContact O-N 3.17Å; D715-I719 WeakPolarHBondContact O-CG1 3.22Å; D715-I719 PolarHBondContact O-N 3.33Å; D715-I719 WeakPolarHBondContact OD2-CD1 3.29Å; D715-G1357 WeakPolarHBondContact OD1-CA 3.37Å; D715-I1358 HydrophobicContact CB-CG1 3.81Å; D715-I1358 VanDerWaalsContact OD1-CG1 3.27Å; D715-I1358 WeakPolarHBondContact OD1-CG1 3.33Å; D715-I1358 PolarHBondContact OD1-N 3.34Å; D715-I1358 VanDerWaalsContact OD1-N 3.08Å; D715-I1358 WeakPolarHBondContact OD2-CG1 3.18Å
716N90.4Very high85.6Confident0 Ų011.9 Ų11.90%06%0.058CC..Hα-helixtrans-51.4-40.8172.1-84.6-17.6000112.7I712 L720 M804 S808 Q844I712-N716 WeakPolarHBondContact O-CB 3.43Å; I712-N716 PolarHBondContact O-N 3.49Å; I712-N716 VanDerWaalsContact O-N 3.09Å; N716-L720 WeakPolarHBondContact O-CB 3.28Å; N716-L720 PolarHBondContact O-N 2.94Å; N716-L720 VanDerWaalsContact O-N 3.13Å; N716-M804 HydrophobicContact CB-CE 3.87Å; N716-M804 HydrophobicContact CB-CG 4.31Å; N716-M804 WeakPolarHBondContact OD1-CG 3.42Å; N716-S808 PolarHBondContact ND2-OG 2.94Å; N716-Q844 PolarHBondContact ND2-OE1 2.93Å; N716-Q844 VanDerWaalsContact ND2-OE1 3.09Å
717I89.2Confident84.9Confident3 Ų311.3 Ų11.32%0.0155%0.054CC..Hα-helixtrans-66.7-44.9176.1-79.3164.7000111.5L654 G713 V714 D715 L720 V721 F848L654-I717 HydrophobicContact CD1-CG2 3.75Å; L654-I717 HydrophobicContact CD2-CG2 4.48Å; G713-I717 WeakPolarHBondContact O-CB 3.3Å; G713-I717 WeakPolarHBondContact O-CD1 3.28Å; G713-I717 WeakPolarHBondContact O-CG1 3.37Å; G713-I717 PolarHBondContact O-N 3.33Å; G713-I717 VanDerWaalsContact O-N 3.16Å; V714-I717 WeakPolarHBondContact O-CB 3.36Å; V714-I717 PolarHBondContact O-N 3.06Å; D715-I717 PolarHBondContact O-N 3.17Å; I717-L720 PolarHBondContact O-N 2.88Å; I717-V721 WeakPolarHBondContact O-CB 3.49Å; I717-V721 WeakPolarHBondContact O-CG2 3.32Å; I717-V721 PolarHBondContact O-N 3.41Å; I717-F848 HydrophobicContact CB-CE1 4.42Å; I717-F848 HydrophobicContact CB-CZ 4.28Å; I717-F848 HydrophobicContact CD1-CD2 4.17Å; I717-F848 HydrophobicContact CD1-CE2 4.19Å; I717-F848 HydrophobicContact CG1-CD1 4.12Å; I717-F848 HydrophobicContact CG1-CD2 4.15Å; I717-F848 HydrophobicContact CG1-CE1 4.04Å; I717-F848 HydrophobicContact CG1-CE2 4.06Å; I717-F848 HydrophobicContact CG1-CG 4.19Å; I717-F848 HydrophobicContact CG1-CZ 4.01Å; I717-F848 HydrophobicContact CG2-CE1 4.12Å; I717-F848 HydrophobicContact CG2-CE2 4.02Å; I717-F848 HydrophobicContact CG2-CZ 3.58Å
718F87.2Confident84Confident14 Ų1411.6 Ų11.66%0.0616%0.056CC..Hα-helixtrans-64.3-44177.3-93-74.5000112.5Y649 V650 F653 L654 V714 D715 H722Y649-F718 HydrophobicContact CE1-CE2 4.33Å; Y649-F718 HydrophobicContact CE1-CZ 4.24Å; V650-F718 HydrophobicContact CG2-CE2 4.33Å; F653-F718 HydrophobicContact CB-CE1 4.33Å; F653-F718 HydrophobicContact CB-CZ 4.09Å; F653-F718 WeakPolarHBondContact O-CE1 3.19Å; L654-F718 HydrophobicContact CB-CE1 4.42Å; L654-F718 HydrophobicContact CD1-CD1 3.99Å; L654-F718 HydrophobicContact CD1-CE1 4.03Å; L654-F718 HydrophobicContact CD1-CG 4.27Å; L654-F718 HydrophobicContact CD1-CZ 4.35Å; V714-F718 HydrophobicContact CG1-CD2 3.48Å; V714-F718 VanDerWaalsContact CG1-CD2 3.48Å; V714-F718 HydrophobicContact CG1-CE2 3.54Å; V714-F718 WeakPolarHBondContact O-CD2 3.31Å; V714-F718 PolarHBondContact O-N 2.8Å; D715-F718 PolarHBondContact O-N 3.17Å; F718-H722 WeakPolarHBondContact O-CB 3.35Å; F718-H722 PolarHBondContact O-N 2.93Å
719I85.4Confident82.7Confident11 Ų1113.5 Ų13.56%0.0567%0.065CC..Hα-helixtrans-61.5-46.4178.1-59.2167.8000110.2D715 H722 E723 V800 S1353D715-I719 WeakPolarHBondContact O-CG1 3.22Å; D715-I719 PolarHBondContact O-N 3.33Å; D715-I719 WeakPolarHBondContact OD2-CD1 3.29Å; I719-H722 PolarHBondContact O-N 3.22Å; I719-E723 PolarHBondContact O-N 3.42Å; I719-E723 VanDerWaalsContact O-N 3.11Å; I719-V800 HydrophobicContact CB-CG1 4.29Å; I719-V800 HydrophobicContact CG2-CB 4.43Å; I719-V800 HydrophobicContact CG2-CG1 3.59Å; I719-V800 HydrophobicContact CG2-CG2 3.93Å; I719-S1353 WeakPolarHBondContact CG1-OG 3.05Å
720L88.3Confident81.2Confident4 Ų418 Ų182%0.0218%0.082CC..Hα-helixtrans-67.1-42.2-179-176.963.9000112.9N716 I717 H722 F724 M797 V800 M804 F848 V849 L852N716-L720 WeakPolarHBondContact O-CB 3.28Å; N716-L720 PolarHBondContact O-N 2.94Å; N716-L720 VanDerWaalsContact O-N 3.13Å; I717-L720 PolarHBondContact O-N 2.88Å; L720-H722 VanDerWaalsContact C-N 3.34Å; L720-F724 WeakPolarHBondContact O-CB 3.43Å; L720-F724 PolarHBondContact O-N 2.88Å; L720-M797 HydrophobicContact CD1-SD 4.24Å; L720-V800 HydrophobicContact CB-CG1 4.38Å; L720-V800 HydrophobicContact CD1-CB 4.4Å; L720-V800 HydrophobicContact CD1-CG1 4.4Å; L720-M804 HydrophobicContact CB-SD 4.47Å; L720-F848 HydrophobicContact CD2-CD1 4.08Å; L720-F848 HydrophobicContact CD2-CE1 4.35Å; L720-V849 HydrophobicContact CD2-CG2 4.12Å; L720-L852 HydrophobicContact CD2-CD2 4.37Å; L720-L852 HydrophobicContact CG-CD2 4.18Å
721V86.2Confident79.9Confident4 Ų418.7 Ų18.72%0.0249%0.088CC..Hα-helixtrans-67.5-36.1175.5173.90000111.1L654 L671 I717 F724 E725 F848 L852L654-V721 HydrophobicContact CD1-CB 4.13Å; L654-V721 HydrophobicContact CD1-CG1 4.3Å; L654-V721 HydrophobicContact CD1-CG2 4.03Å; L654-V721 HydrophobicContact CG-CG1 4.27Å; L654-V721 HydrophobicContact CG-CG2 4.37Å; L671-V721 HydrophobicContact CD2-CG2 4.06Å; I717-V721 WeakPolarHBondContact O-CB 3.49Å; I717-V721 WeakPolarHBondContact O-CG2 3.32Å; I717-V721 PolarHBondContact O-N 3.41Å; V721-F724 PolarHBondContact O-N 3.31Å; V721-E725 PolarHBondContact O-N 2.92Å; V721-F848 HydrophobicContact CG2-CE1 3.93Å; V721-F848 HydrophobicContact CG2-CZ 3.87Å; V721-L852 HydrophobicContact CG2-CD1 4.15Å
722H81.2Confident78.6Confident59 Ų5921.3 Ų21.327%0.27310%0.101SC..Hα-helixtrans-63.8-46.9178.4-172.955.8000112.4F718 I719 L720 F724 E725 H726F718-H722 WeakPolarHBondContact O-CB 3.35Å; F718-H722 PolarHBondContact O-N 2.93Å; I719-H722 PolarHBondContact O-N 3.22Å; L720-H722 VanDerWaalsContact C-N 3.34Å; H722-F724 VanDerWaalsContact C-N 3.32Å; H722-F724 PolarHBondContact O-N 2.96Å; H722-E725 PolarHBondContact O-N 3.38Å; H722-H726 WeakPolarHBondContact O-CB 3.33Å; H722-H726 PolarHBondContact O-N 3.45Å
723E83.3Confident76.9Confident29 Ų2925.6 Ų25.614%0.13612%0.124CC..Hα-helixtrans-64.9-36176.3-175.873.5152.400111.7I719 H726 S727 S799 V800I719-E723 PolarHBondContact O-N 3.42Å; I719-E723 VanDerWaalsContact O-N 3.11Å; E723-H726 WeakPolarHBondContact O-CB 3.1Å; E723-H726 PolarHBondContact O-N 2.88Å; E723-S727 WeakPolarHBondContact O-CB 3.32Å; E723-S727 PolarHBondContact O-N 2.75Å; E723-S799 WeakPolarHBondContact OE1-CB 3.35Å; E723-S799 PolarHBondContact OE1-OG 3.29Å; E723-V800 HydrophobicContact CB-CG2 3.62Å; E723-V800 HydrophobicContact CG-CG2 3.9Å
724F85.4Confident75.2Confident8 Ų830.2 Ų30.24%0.03515%0.148CC..Hα-helixtrans-64.3-40.3174.5-179.3-103.1000112.8L720 V721 H722 H726 H728 R792 I793 S796 L852L720-F724 WeakPolarHBondContact O-CB 3.43Å; L720-F724 PolarHBondContact O-N 2.88Å; V721-F724 PolarHBondContact O-N 3.31Å; H722-F724 VanDerWaalsContact C-N 3.32Å; H722-F724 PolarHBondContact O-N 2.96Å; F724-H726 VanDerWaalsContact C-N 3.35Å; F724-H728 WeakPolarHBondContact O-CB 3.36Å; F724-H728 PolarHBondContact O-N 3.25Å; F724-H728 VanDerWaalsContact O-N 3.09Å; F724-R792 HydrophobicContact CD2-CB 4.13Å; F724-R792 HydrophobicContact CE2-CB 3.77Å; F724-I793 HydrophobicContact CD2-CD1 3.83Å; F724-I793 HydrophobicContact CD2-CG1 4.44Å; F724-I793 HydrophobicContact CE2-CD1 3.62Å; F724-I793 HydrophobicContact CE2-CG1 3.96Å; F724-I793 HydrophobicContact CZ-CD1 4.37Å; F724-S796 WeakPolarHBondContact CA-OG 3.49Å; F724-L852 HydrophobicContact CB-CD2 4.3Å; F724-L852 HydrophobicContact CD1-CD1 3.9Å; F724-L852 HydrophobicContact CD1-CG 4.36Å; F724-L852 HydrophobicContact CE1-CD1 4.15Å; F724-L852 HydrophobicContact CG-CD1 4.36Å; F724-L852 HydrophobicContact CG-CD2 4.24Å; F724-L852 HydrophobicContact CG-CG 4.42Å
725E78.8Confident73.7Confident30 Ų3032.6 Ų32.614%0.1416%0.16CC..Hα-helixtrans-69.6-30.3171.9-70.7-163.5168.700112.8T656 R668 V721 H722 N729T656-E725 WeakPolarHBondContact CB-OE2 3.26Å; T656-E725 WeakPolarHBondContact CG2-OE2 3.33Å; T656-E725 VanDerWaalsContact OG1-CD 3.32Å; T656-E725 PolarHBondContact OG1-OE1 2.96Å; T656-E725 PolarHBondContact OG1-OE2 3.28Å; R668-E725 IonicContact CZ-OE1 2.79Å; R668-E725 VanDerWaalsContact CZ-OE1 3.22Å; R668-E725 IonicContact NE-OE1 2.75Å; R668-E725 PolarHBondContact NE-OE1 2.78Å; R668-E725 IonicContact NH2-OE1 2.76Å; R668-E725 PolarHBondContact NH2-OE1 3.35Å; V721-E725 PolarHBondContact O-N 2.92Å; H722-E725 PolarHBondContact O-N 3.38Å; E725-N729 PolarHBondContact O-ND2 3.42Å; E725-N729 VanDerWaalsContact O-ND2 3.13Å
726H74Confident72.1Confident48 Ų4836.3 Ų36.322%0.22218%0.18CC..Hα-helixtrans-68.7-51.8173.8-167.9135.1000111H722 E723 F724 H728 N729 R730H722-H726 WeakPolarHBondContact O-CB 3.33Å; H722-H726 PolarHBondContact O-N 3.45Å; E723-H726 WeakPolarHBondContact O-CB 3.1Å; E723-H726 PolarHBondContact O-N 2.88Å; F724-H726 VanDerWaalsContact C-N 3.35Å; H726-H728 VanDerWaalsContact C-N 3.25Å; H726-H728 PolarHBondContact O-N 3.35Å; H726-N729 PolarHBondContact O-N 2.91Å; H726-R730 VanDerWaalsContact CD2-CZ 3.48Å; H726-R730 PolarHBondContact CD2-NE 2.84Å; H726-R730 VanDerWaalsContact CD2-NE 3.3Å; H726-R730 PolarHBondContact CD2-NH2 3.49Å; H726-R730 PolarHBondContact NE2-NE 3.29Å; H726-R730 PolarHBondContact NE2-NH2 2.81Å; H726-R730 PolarHBondContact O-N 3.46Å
727S70.4Confident70.4Confident0 Ų041.6 Ų41.60%021%0.208CC..Hα-helixtrans-55.5-38.5175.8170.10000112.4E723 N729 R730 S731 E795E723-S727 WeakPolarHBondContact O-CB 3.32Å; E723-S727 PolarHBondContact O-N 2.75Å; S727-N729 VanDerWaalsContact C-N 3.28Å; S727-N729 PolarHBondContact O-N 2.81Å; S727-R730 PolarHBondContact O-N 2.93Å; S727-S731 PolarHBondContact O-N 3.07Å; S727-S731 VanDerWaalsContact O-N 3.09Å; S727-S731 PolarHBondContact O-OG 2.92Å; S727-E795 VanDerWaalsContact CB-OE2 3.24Å; S727-E795 WeakPolarHBondContact CB-OE2 3.48Å; S727-E795 PolarHBondContact OG-OE2 3.22Å
728H63.9Low68.3Low20 Ų2046.4 Ų46.49%0.09323%0.233CC..Hα-helixtrans-55.7-40.3174.7174.398.1000113.1R658 F724 H726 S731 I732 R792 Y859R658-H728 PolarHBondContact NH1-NE2 3.26Å; F724-H728 WeakPolarHBondContact O-CB 3.36Å; F724-H728 PolarHBondContact O-N 3.25Å; F724-H728 VanDerWaalsContact O-N 3.09Å; H726-H728 VanDerWaalsContact C-N 3.25Å; H726-H728 PolarHBondContact O-N 3.35Å; H728-S731 PolarHBondContact O-OG 2.85Å; H728-I732 WeakPolarHBondContact NE2-CD1 3.42Å; H728-I732 WeakPolarHBondContact O-CG1 3.14Å; H728-I732 PolarHBondContact O-N 2.84Å; H728-R792 PolarHBondContact ND1-NH1 3.38Å; H728-R792 PolarHBondContact O-NH2 2.9Å; H728-Y859 AromaticContact CE1-CE1 3.82Å
729N58Low66.8Low40 Ų4052.2 Ų52.221%0.21426%0.258CS..Hα-helixtrans-73.6-35.5-179.2-63.1-37.7000112.5R658 E725 H726 S727 N733R658-N729 PolarHBondContact NH2-OD1 2.97Å; E725-N729 PolarHBondContact O-ND2 3.42Å; E725-N729 VanDerWaalsContact O-ND2 3.13Å; H726-N729 PolarHBondContact O-N 2.91Å; S727-N729 VanDerWaalsContact C-N 3.28Å; S727-N729 PolarHBondContact O-N 2.81Å; N729-N733 PolarHBondContact O-N 3.34Å; N729-N733 PolarHBondContact O-ND2 2.88Å
730R59.5Low65.3Low94 Ų9457.4 Ų57.436%0.35528%0.282SS..Hα-helixtrans-58.5-59.4172-57.6179.1-169.81498.8109.7H726 S727 I732 N733 D734 E795H726-R730 VanDerWaalsContact CD2-CZ 3.48Å; H726-R730 PolarHBondContact CD2-NE 2.84Å; H726-R730 VanDerWaalsContact CD2-NE 3.3Å; H726-R730 PolarHBondContact CD2-NH2 3.49Å; H726-R730 PolarHBondContact NE2-NE 3.29Å; H726-R730 PolarHBondContact NE2-NH2 2.81Å; H726-R730 PolarHBondContact O-N 3.46Å; S727-R730 PolarHBondContact O-N 2.93Å; R730-I732 VanDerWaalsContact C-N 3.32Å; R730-I732 PolarHBondContact O-N 2.87Å; R730-N733 WeakPolarHBondContact O-CB 3.44Å; R730-N733 PolarHBondContact O-N 2.79Å; R730-D734 PolarHBondContact O-N 2.88Å; R730-D734 VanDerWaalsContact O-N 3.15Å; R730-E795 IonicContact CZ-OE1 2.77Å; R730-E795 IonicContact NH1-OE1 2.64Å; R730-E795 PolarHBondContact NH1-OE1 2.74Å
731S59.5Low63.3Low19 Ų1963.3 Ų63.313%0.13331%0.305CS..Hα-helixtrans-71.3-16-174.150.60000115.3S727 H728 D734 I735 R792S727-S731 PolarHBondContact O-N 3.07Å; S727-S731 VanDerWaalsContact O-N 3.09Å; S727-S731 PolarHBondContact O-OG 2.92Å; H728-S731 PolarHBondContact O-OG 2.85Å; S731-D734 WeakPolarHBondContact CA-OD2 3.4Å; S731-I735 WeakPolarHBondContact O-CB 3.26Å; S731-I735 VanDerWaalsContact O-CG1 3.26Å; S731-I735 WeakPolarHBondContact O-CG1 3.5Å; S731-I735 PolarHBondContact O-N 2.91Å; S731-R792 VanDerWaalsContact OG-CZ 3.27Å; S731-R792 PolarHBondContact OG-NE 2.88Å; S731-R792 PolarHBondContact OG-NH2 3.5Å
732I56Low61.7Low61 Ų6167.2 Ų67.231%0.31333%0.325SS..Hα-helixtrans-71.8-39.8165.3-82.9-171.7000111.4H728 R730 D734 I735 N736H728-I732 WeakPolarHBondContact NE2-CD1 3.42Å; H728-I732 WeakPolarHBondContact O-CG1 3.14Å; H728-I732 PolarHBondContact O-N 2.84Å; R730-I732 VanDerWaalsContact C-N 3.32Å; R730-I732 PolarHBondContact O-N 2.87Å; I732-D734 VanDerWaalsContact C-N 3.31Å; I732-I735 PolarHBondContact O-N 2.82Å; I732-N736 WeakPolarHBondContact O-CB 3.35Å; I732-N736 VanDerWaalsContact O-CG 3.28Å; I732-N736 PolarHBondContact O-N 2.82Å; I732-N736 PolarHBondContact O-ND2 2.99Å
733N53.8Low60.3Low92 Ų9270.6 Ų70.649%0.49234%0.341SS..Hα-helixtrans-63.8-43.1175.7-64.8-22.4000110N729 R730 N736 L737N729-N733 PolarHBondContact O-N 3.34Å; N729-N733 PolarHBondContact O-ND2 2.88Å; R730-N733 WeakPolarHBondContact O-CB 3.44Å; R730-N733 PolarHBondContact O-N 2.79Å; N733-N736 PolarHBondContact O-N 3.49Å; N733-L737 WeakPolarHBondContact O-CB 3.35Å; N733-L737 PolarHBondContact O-N 3.44Å
734D53.8Low58.8Low97 Ų9774.8 Ų74.852%0.51936%0.36SS..Hα-helixtrans-61.3-44175.2-56.6-43.1000112.2R730 S731 I732 L737 L738R730-D734 PolarHBondContact O-N 2.88Å; R730-D734 VanDerWaalsContact O-N 3.15Å; S731-D734 WeakPolarHBondContact CA-OD2 3.4Å; I732-D734 VanDerWaalsContact C-N 3.31Å; D734-L737 PolarHBondContact O-N 2.95Å; D734-L738 VanDerWaalsContact O-CB 3.26Å; D734-L738 WeakPolarHBondContact O-CB 3.42Å; D734-L738 PolarHBondContact O-N 2.94Å
735I55.6Low57.1Low50 Ų5078.3 Ų78.326%0.25638%0.377SS..Hα-helixtrans-68.7-35177.2-75.4169.5000112.3S731 I732 L738 K739 L788S731-I735 WeakPolarHBondContact O-CB 3.26Å; S731-I735 VanDerWaalsContact O-CG1 3.26Å; S731-I735 WeakPolarHBondContact O-CG1 3.5Å; S731-I735 PolarHBondContact O-N 2.91Å; I732-I735 PolarHBondContact O-N 2.82Å; I735-L738 PolarHBondContact O-N 2.83Å; I735-K739 HydrophobicContact CG2-CD 4.1Å; I735-K739 HydrophobicContact CG2-CG 4.36Å; I735-K739 VanDerWaalsContact O-CB 3.27Å; I735-K739 WeakPolarHBondContact O-CB 3.45Å; I735-K739 VanDerWaalsContact O-CG 3.29Å; I735-K739 WeakPolarHBondContact O-CG 3.38Å; I735-K739 PolarHBondContact O-N 2.75Å; I735-L788 HydrophobicContact CD1-CD1 3.59Å; I735-L788 HydrophobicContact CD1-CD2 3.4Å; I735-L788 VanDerWaalsContact CD1-CD2 3.4Å; I735-L788 HydrophobicContact CD1-CG 4.1Å
736N55.3Low55.7Low80 Ų8081.3 Ų81.343%0.42839%0.394SS..Hα-helixtrans-71.1-41176.4-73.8-20.2000111I732 N733 K739 Q740I732-N736 WeakPolarHBondContact O-CB 3.35Å; I732-N736 VanDerWaalsContact O-CG 3.28Å; I732-N736 PolarHBondContact O-N 2.82Å; I732-N736 PolarHBondContact O-ND2 2.99Å; N733-N736 PolarHBondContact O-N 3.49Å; N736-K739 PolarHBondContact O-N 2.81Å; N736-Q740 WeakPolarHBondContact O-CB 3.3Å; N736-Q740 WeakPolarHBondContact O-CG 3.42Å; N736-Q740 PolarHBondContact O-N 3.38Å
737L52.8Low54.4Low110 Ų11082.9 Ų82.958%0.57640%0.404SS*.Hα-helixtrans-58.2-47.6168.4-89.7161000111.4N733 D734 K739 Q740 Y741N733-L737 WeakPolarHBondContact O-CB 3.35Å; N733-L737 PolarHBondContact O-N 3.44Å; D734-L737 PolarHBondContact O-N 2.95Å; L737-K739 PolarHBondContact O-N 3.03Å; L737-Q740 PolarHBondContact O-N 3.22Å; L737-Y741 WeakPolarHBondContact O-CB 3.39Å; L737-Y741 PolarHBondContact O-N 2.55Å
738L46.7Very low53.5Low104 Ų10485.9 Ų85.955%0.54542%0.42SS..Hα-helixtrans-66.2-37.8179.5-161.280.3000111.7D734 I735 Y741 I742D734-L738 VanDerWaalsContact O-CB 3.26Å; D734-L738 WeakPolarHBondContact O-CB 3.42Å; D734-L738 PolarHBondContact O-N 2.94Å; I735-L738 PolarHBondContact O-N 2.83Å; L738-Y741 PolarHBondContact O-N 2.76Å; L738-I742 HydrophobicContact CD2-CD1 4.21Å; L738-I742 HydrophobicContact CG-CD1 3.98Å; L738-I742 WeakPolarHBondContact O-CB 3.37Å; L738-I742 WeakPolarHBondContact O-CD1 3.25Å; L738-I742 VanDerWaalsContact O-CG1 3.22Å; L738-I742 WeakPolarHBondContact O-CG1 3.28Å; L738-I742 PolarHBondContact O-N 2.92Å
739K54.7Low52.6Low136 Ų13688.3 Ų88.359%0.59143%0.433SS*.Hα-helixtrans-68-45174.3-80.5-179.6177-176.40111.8I735 N736 L737 Y741 I742 H743I735-K739 HydrophobicContact CG2-CD 4.1Å; I735-K739 HydrophobicContact CG2-CG 4.36Å; I735-K739 VanDerWaalsContact O-CB 3.27Å; I735-K739 WeakPolarHBondContact O-CB 3.45Å; I735-K739 VanDerWaalsContact O-CG 3.29Å; I735-K739 WeakPolarHBondContact O-CG 3.38Å; I735-K739 PolarHBondContact O-N 2.75Å; N736-K739 PolarHBondContact O-N 2.81Å; L737-K739 PolarHBondContact O-N 3.03Å; K739-Y741 VanDerWaalsContact C-N 3.32Å; K739-Y741 PolarHBondContact O-N 2.85Å; K739-I742 PolarHBondContact O-N 3.13Å; K739-H743 VanDerWaalsContact O-CB 3.24Å; K739-H743 WeakPolarHBondContact O-CB 3.18Å; K739-H743 PolarHBondContact O-N 3.17Å
740Q53.3Low51.8Low121 Ų12194.4 Ų94.457%0.56546%0.458SS*.Hα-helixtrans-58.2-47.7171.7-76.8-178.1-79.100110.2N736 L737 I742 H743 Q744N736-Q740 WeakPolarHBondContact O-CB 3.3Å; N736-Q740 WeakPolarHBondContact O-CG 3.42Å; N736-Q740 PolarHBondContact O-N 3.38Å; L737-Q740 PolarHBondContact O-N 3.22Å; Q740-I742 PolarHBondContact O-N 2.63Å; Q740-H743 PolarHBondContact O-N 3.27Å; Q740-Q744 WeakPolarHBondContact O-CB 3.08Å; Q740-Q744 PolarHBondContact O-N 3.13Å
741Y48.1Very low51.1Low128 Ų12896.4 Ų96.450%0.50247%0.469SS..Hα-helixtrans-59.3-47.7178.7-167.4-94.4000112.2L737 L738 K739 H745L737-Y741 WeakPolarHBondContact O-CB 3.39Å; L737-Y741 PolarHBondContact O-N 2.55Å; L738-Y741 PolarHBondContact O-N 2.76Å; K739-Y741 VanDerWaalsContact C-N 3.32Å; K739-Y741 PolarHBondContact O-N 2.85Å; Y741-H745 AromaticContact CE1-CD2 3.88Å; Y741-H745 WeakPolarHBondContact O-CB 3.38Å; Y741-H745 PolarHBondContact O-N 3.36Å
742I50.9Low50.3Low85 Ų85101.3 Ų101.344%0.43649%0.494SS..Hα-helixtrans-65.2-43.1176.9-70.2164.6000111.1L738 K739 Q740 N746L738-I742 HydrophobicContact CD2-CD1 4.21Å; L738-I742 HydrophobicContact CG-CD1 3.98Å; L738-I742 WeakPolarHBondContact O-CB 3.37Å; L738-I742 WeakPolarHBondContact O-CD1 3.25Å; L738-I742 VanDerWaalsContact O-CG1 3.22Å; L738-I742 WeakPolarHBondContact O-CG1 3.28Å; L738-I742 PolarHBondContact O-N 2.92Å; K739-I742 PolarHBondContact O-N 3.13Å; Q740-I742 PolarHBondContact O-N 2.63Å; I742-N746 VanDerWaalsContact O-CB 3.22Å; I742-N746 WeakPolarHBondContact O-CB 3.19Å; I742-N746 VanDerWaalsContact O-CG 3.31Å; I742-N746 PolarHBondContact O-N 3.28Å; I742-N746 PolarHBondContact O-ND2 3.05Å
743H52.7Low49.6Very low131 Ų131106.6 Ų106.661%0.60652%0.517SS*.Hα-helixtrans-69.9-35.4-178.2-145.4-35.1000112.1K739 Q740 N747K739-H743 VanDerWaalsContact O-CB 3.24Å; K739-H743 WeakPolarHBondContact O-CB 3.18Å; K739-H743 PolarHBondContact O-N 3.17Å; Q740-H743 PolarHBondContact O-N 3.27Å; H743-N747 WeakPolarHBondContact O-CB 3.3Å; H743-N747 PolarHBondContact O-N 3.36Å; H743-N747 VanDerWaalsContact O-N 3.1Å; H743-N747 PolarHBondContact O-ND2 3.08Å
744Q51.9Low48.9Very low117 Ų117105.4 Ų105.455%0.54752%0.516SS..Hα-helixtrans-73.1-47.4175.4-170.5164.11.200110.8Q740 N746 N747 D748Q740-Q744 WeakPolarHBondContact O-CB 3.08Å; Q740-Q744 PolarHBondContact O-N 3.13Å; Q744-N746 VanDerWaalsContact C-N 3.32Å; Q744-N746 PolarHBondContact O-N 2.7Å; Q744-N747 CarbonylContact O-C 3.21Å; Q744-N747 WeakPolarHBondContact O-CB 3.45Å; Q744-N747 PolarHBondContact O-N 2.94Å; Q744-N747 VanDerWaalsContact O-N 3.09Å; Q744-D748 WeakPolarHBondContact O-CB 3.4Å; Q744-D748 PolarHBondContact O-N 3.36Å
745H49.3Very low48Very low82 Ų82106.8 Ų106.838%0.3852%0.524SS..Hα-helixtrans-67.5-29.6178-155-34.6000112.6Y741 N749Y741-H745 AromaticContact CE1-CD2 3.88Å; Y741-H745 WeakPolarHBondContact O-CB 3.38Å; Y741-H745 PolarHBondContact O-N 3.36Å; H745-N749 PolarHBondContact CE1-OD1 3.37Å; H745-N749 VanDerWaalsContact CE1-OD1 3.3Å; H745-N749 PolarHBondContact ND1-ND2 3.16Å; H745-N749 PolarHBondContact ND1-OD1 2.9Å; H745-N749 VanDerWaalsContact ND1-OD1 3.17Å; H745-N749 WeakPolarHBondContact O-CB 3.28Å; H745-N749 PolarHBondContact O-N 2.93Å; H745-N749 PolarHBondContact O-ND2 3.25Å; H745-N749 PolarHBondContact O-OD1 2.96Å
746N49.4Very low46.9Very low93 Ų93109.4 Ų109.450%0.49755%0.546SS..Hα-helixtrans-72.6-35.7169.4-79.4-20.8000112.7I742 Q744 K750I742-N746 VanDerWaalsContact O-CB 3.22Å; I742-N746 WeakPolarHBondContact O-CB 3.19Å; I742-N746 VanDerWaalsContact O-CG 3.31Å; I742-N746 PolarHBondContact O-N 3.28Å; I742-N746 PolarHBondContact O-ND2 3.05Å; Q744-N746 VanDerWaalsContact C-N 3.32Å; Q744-N746 PolarHBondContact O-N 2.7Å; N746-K750 WeakPolarHBondContact O-CB 3.49Å; N746-K750 PolarHBondContact O-N 2.99Å
747N47.7Very low46Very low81 Ų81109.7 Ų109.743%0.43355%0.554SS.*Hα-helixtrans-69.1-38.7172.9-78.3-19.4000111.9H743 Q744 K750 K751H743-N747 WeakPolarHBondContact O-CB 3.3Å; H743-N747 PolarHBondContact O-N 3.36Å; H743-N747 VanDerWaalsContact O-N 3.1Å; H743-N747 PolarHBondContact O-ND2 3.08Å; Q744-N747 CarbonylContact O-C 3.21Å; Q744-N747 WeakPolarHBondContact O-CB 3.45Å; Q744-N747 PolarHBondContact O-N 2.94Å; Q744-N747 VanDerWaalsContact O-N 3.09Å; N747-K750 PolarHBondContact O-N 3.22Å; N747-K751 WeakPolarHBondContact O-CG 3.46Å; N747-K751 PolarHBondContact O-N 3.47Å
748D50.2Low46.1Very low63 Ų63108.7 Ų108.734%0.33755%0.553SS.*Hα-helixtrans-75.5-34.6178.1-66.5-25.8000111.4Q744 K751 N752Q744-D748 WeakPolarHBondContact O-CB 3.4Å; Q744-D748 PolarHBondContact O-N 3.36Å; D748-K751 PolarHBondContact O-N 2.8Å; D748-N752 VanDerWaalsContact O-CB 3.28Å; D748-N752 WeakPolarHBondContact O-CB 3.23Å; D748-N752 PolarHBondContact O-N 2.79Å; D748-N752 PolarHBondContact O-ND2 3.19Å
749N44.7Very low45.2Very low70 Ų70110.5 Ų110.537%0.37456%0.562SS.*Hα-helixtrans-64.1-39167.7-72.7-12.4000111.5H745 K751 N752 H753H745-N749 PolarHBondContact CE1-OD1 3.37Å; H745-N749 VanDerWaalsContact CE1-OD1 3.3Å; H745-N749 PolarHBondContact ND1-ND2 3.16Å; H745-N749 PolarHBondContact ND1-OD1 2.9Å; H745-N749 VanDerWaalsContact ND1-OD1 3.17Å; H745-N749 WeakPolarHBondContact O-CB 3.28Å; H745-N749 PolarHBondContact O-N 2.93Å; H745-N749 PolarHBondContact O-ND2 3.25Å; H745-N749 PolarHBondContact O-OD1 2.96Å; N749-K751 VanDerWaalsContact C-N 3.34Å; N749-K751 PolarHBondContact O-N 3.44Å; N749-N752 PolarHBondContact O-N 2.99Å; N749-H753 PolarHBondContact O-N 2.91Å
750K42.3Very low44Very low168 Ų168110.8 Ų110.873%0.7357%0.57SS**Hα-helixtrans-64.2-33.5171.8-89.9-171.6170.4-175.90113.3N746 N747N746-K750 WeakPolarHBondContact O-CB 3.49Å; N746-K750 PolarHBondContact O-N 2.99Å; N747-K750 PolarHBondContact O-N 3.22Å
751K44.6Very low43Very low136 Ų136113.1 Ų113.159%0.59159%0.586SS**Hα-helixtrans-78.8-30.9175.8-74.4173.4178.11770113.7N747 D748 N749 S754N747-K751 WeakPolarHBondContact O-CG 3.46Å; N747-K751 PolarHBondContact O-N 3.47Å; D748-K751 PolarHBondContact O-N 2.8Å; N749-K751 VanDerWaalsContact C-N 3.34Å; N749-K751 PolarHBondContact O-N 3.44Å; K751-S754 PolarHBondContact O-OG 3.07Å; K751-S754 VanDerWaalsContact O-OG 3.07Å
752N42.3Very low42.2Very low122 Ų122111.8 Ų111.865%0.65259%0.591SS**Hα-helixtrans-84.2-23.9-178.9-69.9-27.1000112.8D748 N749 S754D748-N752 VanDerWaalsContact O-CB 3.28Å; D748-N752 WeakPolarHBondContact O-CB 3.23Å; D748-N752 PolarHBondContact O-N 2.79Å; D748-N752 PolarHBondContact O-ND2 3.19Å; N749-N752 PolarHBondContact O-N 2.99Å; N752-S754 VanDerWaalsContact C-N 3.32Å
753H41.5Very low41.1Very low172 Ų172114.3 Ų114.380%0.79660%0.601SS**THydrogen-bonded Turntrans-81.6-1.9172.8-98.1-67.8000115.2N749N749-H753 PolarHBondContact O-N 2.91Å
754S38.3Very low40.1Very low68 Ų68115.8 Ų115.848%0.47661%0.614SS.*THydrogen-bonded Turntrans-101.98.6-178.664.30000115K751 N752K751-S754 PolarHBondContact O-OG 3.07Å; K751-S754 VanDerWaalsContact O-OG 3.07Å; N752-S754 VanDerWaalsContact C-N 3.32Å
755N35.8Very low39Very low126 Ų126117.1 Ų117.167%0.67462%0.62SS**SBendtrans-138.229.7-170.1-89.4-40.5000116.3
756S32.8Very low37.9Very low105 Ų105121.2 Ų121.273%0.73464%0.639SS**SBendtrans-162.9131.1156.9-850000109.6T758S756-T758 VanDerWaalsContact C-CB 3.44Å
757S36.4Very low36.9Very low85 Ų85124.3 Ų124.359%0.59466%0.655SS**  cis-128.32126.446.20000119.6L759S757-L759 WeakPolarHBondContact OG-CD1 3.26Å
758T53.5Low36Very low89 Ų89127 Ų12755%0.54667%0.67SS.*  cis-53.9-34.8-25.31420000111.8S756S756-T758 VanDerWaalsContact C-CB 3.44Å
759L29.2Very low35Very low142 Ų142131.1 Ų131.174%0.74369%0.687SS**  trans27.984.5-163.6-96.884.8000115.4S757 L761S757-L759 WeakPolarHBondContact OG-CD1 3.26Å; L759-L761 PolarHBondContact O-N 2.91Å
760N28.3Very low34.2Very low143 Ų143134 Ų13477%0.76570%0.702SS**  trans-62.4127.2164.1-59.3-21.6000110.3
761L33.1Very low33.6Very low169 Ų169135 Ų13589%0.88571%0.71SS**  trans-130.275.5157.5-106.1168000109.4L759L759-L761 PolarHBondContact O-N 2.91Å
762T30.4Very low32.9Very low100 Ų100136.5 Ų136.561%0.61372%0.719SS**  trans-60.5158.4149.645.10000109.6
763Q29.5Very low32.3Very low139 Ų139138 Ų13865%0.6573%0.727SS**  cis-155.1147.87.9-125.7150.8-51.700108.7
764N30.1Very low31.8Very low162 Ų162135.4 Ų135.487%0.86672%0.719SS**  trans-171.7100.8162.8-89.9-21.5000103.2
765E29.4Very low31.9Very low145 Ų145137.1 Ų137.168%0.67873%0.728SS**  cis71.6128.447.8-56.5-159.3102.600114.8
766Q27.1Very low32.1Very low167 Ų167136 Ų13678%0.7872%0.722SS**  trans69.1102.7161.6-68.7169.6-32.200120.1
767N28.7Very low32.4Very low158 Ų158139.2 Ų139.285%0.84573%0.726SS**  trans156.696.2140.4-80.1-6.2000105.7
768D28Very low32.4Very low137 Ų137141.6 Ų141.673%0.73373%0.731SS**  cis70.3107.134.3-123.518.8000113.4
769H29.4Very low31.9Very low151 Ų151141.7 Ų141.770%0.69973%0.728SS**  trans62.1124.9160.1-80.2-81.6000124.2
770D28.3Very low32.9Very low131 Ų131141.3 Ų141.370%0.70173%0.727SS**  trans67.689.8134.6-53.2-15.4000122.3
771Q29Very low34.2Very low189 Ų189139.9 Ų139.988%0.88372%0.719SS**  trans-162107.9135.8-103.7150.42400107.8
772E28.9Very low35.7Very low166 Ų166136.2 Ų136.278%0.77670%0.7SS**  75.491.369.1-169.4163.9-146.900114.1D774E772-D774 PolarHBondContact O-N 3.28Å; E772-D774 VanDerWaalsContact O-N 3.11Å
773N30.7Very low37.5Very low155 Ų155137.4 Ų137.483%0.82970%0.698SS**  trans38.154.1149.1-61.9-45.3000119.2P775N773-P775 WeakPolarHBondContact O-CD 3.13Å
774D31.4Very low39.4Very low116 Ų116134.5 Ų134.562%0.6269%0.692SS**  trans-78.8120.5167-165.5-26.6000111.3E772 D776E772-D774 PolarHBondContact O-N 3.28Å; E772-D774 VanDerWaalsContact O-N 3.11Å; D774-D776 PolarHBondContact O-N 3.44Å; D774-D776 WeakPolarHBondContact OD1-CB 3.25Å; D774-D776 PolarHBondContact OD1-N 3.39Å
775P39.1Very low41.2Very low105 Ų105128.3 Ų128.368%0.68266%0.658SS**G310 helixtrans-65.7-12.1178.526.8-35.6000115.2N773 Q777 L778N773-P775 WeakPolarHBondContact O-CD 3.13Å; P775-Q777 PolarHBondContact O-N 3.06Å; P775-L778 PolarHBondContact O-N 3.08Å
776D41.4Very low43.4Very low101 Ų101124.7 Ų124.754%0.5464%0.64SS.*G310 helixtrans-68.9-22-167.2-96.5-14.9000116.2D774 L778 N779D774-D776 PolarHBondContact O-N 3.44Å; D774-D776 WeakPolarHBondContact OD1-CB 3.25Å; D774-D776 PolarHBondContact OD1-N 3.39Å; D776-L778 PolarHBondContact O-N 3.14Å; D776-L778 VanDerWaalsContact O-N 3.09Å; D776-N779 WeakPolarHBondContact O-CB 3.47Å; D776-N779 PolarHBondContact O-N 2.85Å; D776-N779 PolarHBondContact OD1-ND2 3.06Å
777Q38.2Very low45.9Very low174 Ų174120.8 Ų120.881%0.81362%0.624SS**G310 helixtrans-61.8-22.4178-76.4-157.88.700113.8P775 N779P775-Q777 PolarHBondContact O-N 3.06Å; Q777-N779 PolarHBondContact O-N 2.86Å
778L37.2Very low48.2Very low134 Ų134115.1 Ų115.170%0.70259%0.594SS**G310 helixtrans-69.2-20.7177-168.262.3000112.6P775 D776P775-L778 PolarHBondContact O-N 3.08Å; D776-L778 PolarHBondContact O-N 3.14Å; D776-L778 VanDerWaalsContact O-N 3.09Å
779N42Very low50.9Low92 Ų92108.7 Ų108.749%0.49256%0.559SS.*G310 helixtrans-74.1-31.5-177.9-71.6-41.2000113.1D776 Q777 L781 N782D776-N779 WeakPolarHBondContact O-CB 3.47Å; D776-N779 PolarHBondContact O-N 2.85Å; D776-N779 PolarHBondContact OD1-ND2 3.06Å; Q777-N779 PolarHBondContact O-N 2.86Å; N779-L781 VanDerWaalsContact C-N 3.25Å; N779-L781 PolarHBondContact O-N 3.08Å; N779-L781 VanDerWaalsContact O-N 3.16Å; N779-N782 WeakPolarHBondContact O-CB 3.24Å; N779-N782 PolarHBondContact O-N 2.94Å; N779-N782 VanDerWaalsContact O-N 3.17Å; N779-N782 PolarHBondContact O-ND2 2.74Å
780N50.9Low53.6Low134 Ų134102.3 Ų102.372%0.71753%0.53SS*.G310 helixtrans-66.9-16.6-173.5-78.6-30.8000115.2
781L56Low56.4Low113 Ų11399.5 Ų99.559%0.59252%0.515SS*.G310 helixtrans-84.3-13.4177.6-156.370.5000113.2N779 P784 I785N779-L781 VanDerWaalsContact C-N 3.25Å; N779-L781 PolarHBondContact O-N 3.08Å; N779-L781 VanDerWaalsContact O-N 3.16Å; L781-P784 WeakPolarHBondContact O-CD 3.42Å; L781-I785 HydrophobicContact CD2-CD1 4.07Å; L781-I785 HydrophobicContact CG-CD1 3.92Å; L781-I785 WeakPolarHBondContact O-CD1 3.33Å; L781-I785 VanDerWaalsContact O-CG1 3.31Å; L781-I785 WeakPolarHBondContact O-CG1 3.43Å
782N64Low59.1Low91 Ų9191 Ų9149%0.48748%0.475SS..Hα-helixtrans-75-39.1-171-66.3-43.4000113.4N779 K786N779-N782 WeakPolarHBondContact O-CB 3.24Å; N779-N782 PolarHBondContact O-N 2.94Å; N779-N782 VanDerWaalsContact O-N 3.17Å; N779-N782 PolarHBondContact O-ND2 2.74Å; N782-K786 WeakPolarHBondContact O-CB 3.5Å; N782-K786 PolarHBondContact O-N 3.22Å
783E68.4Low62Low125 Ų12583.2 Ų83.258%0.58444%0.438SS*.Hα-helixtrans-59.4-53.3178.3-88.6-75109.600114.1I785 K786 L787E783-I785 VanDerWaalsContact C-N 3.32Å; E783-I785 PolarHBondContact O-N 3.26Å; E783-K786 WeakPolarHBondContact O-CB 3.17Å; E783-K786 PolarHBondContact O-N 3.32Å; E783-K786 VanDerWaalsContact O-N 3.15Å; E783-K786 IonicContact OE1-NZ 3.22Å; E783-K786 PolarHBondContact OE1-NZ 3.08Å; E783-L787 PolarHBondContact O-N 2.77Å
784P69.6Low64.9Low78 Ų7876.9 Ų76.951%0.50641%0.406SS..Hα-helixtrans-67.7-30.9-179.725.2-34.5000113L781 L788L781-P784 WeakPolarHBondContact O-CD 3.42Å; P784-L788 WeakPolarHBondContact O-CB 3.44Å; P784-L788 PolarHBondContact O-N 3.49Å
785I67.6Low67.6Low32 Ų3275.1 Ų75.116%0.16440%0.395CS..Hα-helixtrans-64.9-42.9172.2-71.2174.5000110.5L781 E783 V789 V860L781-I785 HydrophobicContact CD2-CD1 4.07Å; L781-I785 HydrophobicContact CG-CD1 3.92Å; L781-I785 WeakPolarHBondContact O-CD1 3.33Å; L781-I785 VanDerWaalsContact O-CG1 3.31Å; L781-I785 WeakPolarHBondContact O-CG1 3.43Å; E783-I785 VanDerWaalsContact C-N 3.32Å; E783-I785 PolarHBondContact O-N 3.26Å; I785-V789 WeakPolarHBondContact O-CG2 3.37Å; I785-V789 PolarHBondContact O-N 2.89Å; I785-V860 HydrophobicContact CB-CG1 4.26Å; I785-V860 HydrophobicContact CD1-CG1 4.01Å; I785-V860 HydrophobicContact CG1-CG1 3.77Å; I785-V860 HydrophobicContact CG2-CB 3.98Å; I785-V860 HydrophobicContact CG2-CG1 3.67Å
786K76.3Confident70Confident70 Ų7070.2 Ų70.230%0.30436%0.362SS..Hα-helixtrans-63.3-50.9-179.8166.5-178.6157-146.20111.7N782 E783 L788 V789 E790N782-K786 WeakPolarHBondContact O-CB 3.5Å; N782-K786 PolarHBondContact O-N 3.22Å; E783-K786 WeakPolarHBondContact O-CB 3.17Å; E783-K786 PolarHBondContact O-N 3.32Å; E783-K786 VanDerWaalsContact O-N 3.15Å; E783-K786 IonicContact OE1-NZ 3.22Å; E783-K786 PolarHBondContact OE1-NZ 3.08Å; K786-L788 PolarHBondContact O-N 3.44Å; K786-V789 PolarHBondContact O-N 3.18Å; K786-E790 WeakPolarHBondContact CE-OE1 3.32Å; K786-E790 WeakPolarHBondContact CG-OE1 3.4Å; K786-E790 WeakPolarHBondContact O-CG 3.12Å; K786-E790 PolarHBondContact O-N 2.86Å
787L78.6Confident72.4Confident85 Ų8565.5 Ų65.545%0.44534%0.337SS..Hα-helixtrans-60.5-44179.9-176.963.3000111.9E783 V789 E790 D791E783-L787 PolarHBondContact O-N 2.77Å; L787-V789 VanDerWaalsContact C-N 3.28Å; L787-V789 PolarHBondContact O-N 3.42Å; L787-E790 PolarHBondContact O-N 3.35Å; L787-E790 VanDerWaalsContact O-N 3.1Å; L787-D791 PolarHBondContact O-N 3.3Å
788L78Confident74.9Confident39 Ų3957.3 Ų57.320%0.20430%0.299CS..Hα-helixtrans-59.4-36.1177.2177.659.4000113.2I735 P784 K786 R792I735-L788 HydrophobicContact CD1-CD1 3.59Å; I735-L788 HydrophobicContact CD1-CD2 3.4Å; I735-L788 VanDerWaalsContact CD1-CD2 3.4Å; I735-L788 HydrophobicContact CD1-CG 4.1Å; P784-L788 WeakPolarHBondContact O-CB 3.44Å; P784-L788 PolarHBondContact O-N 3.49Å; K786-L788 PolarHBondContact O-N 3.44Å; L788-R792 VanDerWaalsContact O-CD 3.29Å; L788-R792 WeakPolarHBondContact O-CD 3.32Å; L788-R792 WeakPolarHBondContact O-CG 3.32Å; L788-R792 PolarHBondContact O-N 2.96Å
789V83.2Confident77.3Confident1 Ų153 Ų531%0.00628%0.28CS..Hα-helixtrans-74.5-39.1175.3176.50000110.7I785 K786 L787 R792 I793 T853 R857 V860I785-V789 WeakPolarHBondContact O-CG2 3.37Å; I785-V789 PolarHBondContact O-N 2.89Å; K786-V789 PolarHBondContact O-N 3.18Å; L787-V789 VanDerWaalsContact C-N 3.28Å; L787-V789 PolarHBondContact O-N 3.42Å; V789-R792 PolarHBondContact O-N 3.27Å; V789-I793 HydrophobicContact CG1-CG1 4.23Å; V789-I793 VanDerWaalsContact O-CG1 3.24Å; V789-I793 WeakPolarHBondContact O-CG1 3.43Å; V789-I793 PolarHBondContact O-N 2.91Å; V789-T853 HydrophobicContact CG1-CG2 4.08Å; V789-R857 HydrophobicContact CB-CG 4.34Å; V789-R857 HydrophobicContact CG1-CG 4.35Å; V789-R857 HydrophobicContact CG2-CG 4.22Å; V789-V860 HydrophobicContact CG2-CG2 4.48Å
790E87.8Confident79.5Confident17 Ų1749 Ų498%0.07926%0.259CS..Hα-helixtrans-61.4-45178.3-74.1170.8-156.700112.6A354 K786 L787 I793 S794 R857A354-E790 HydrophobicContact CB-CB 4.15Å; A354-E790 HydrophobicContact CB-CG 3.66Å; K786-E790 WeakPolarHBondContact CE-OE1 3.32Å; K786-E790 WeakPolarHBondContact CG-OE1 3.4Å; K786-E790 WeakPolarHBondContact O-CG 3.12Å; K786-E790 PolarHBondContact O-N 2.86Å; L787-E790 PolarHBondContact O-N 3.35Å; L787-E790 VanDerWaalsContact O-N 3.1Å; E790-I793 PolarHBondContact O-N 2.77Å; E790-S794 WeakPolarHBondContact O-CB 3.49Å; E790-S794 PolarHBondContact O-N 3.11Å; E790-R857 IonicContact OE1-CZ 2.74Å; E790-R857 IonicContact OE1-NH2 3.98Å; E790-R857 PolarHBondContact OE1-NH2 3.44Å
791D85.7Confident81.5Confident73 Ų7342.6 Ų42.639%0.3923%0.225SC..Hα-helixtrans-70.1-34.5178.9-68.4-27.6000112.5R351 L787 S794 E795R351-D791 IonicContact NE-OD1 3.96Å; L787-D791 PolarHBondContact O-N 3.3Å; D791-S794 WeakPolarHBondContact O-CB 3.12Å; D791-S794 PolarHBondContact O-N 2.86Å; D791-E795 PolarHBondContact O-N 2.96Å
792R86.2Confident83.2Confident9 Ų937.3 Ų37.33%0.03420%0.197CC..Hα-helixtrans-65.8-42.4173.4-75.1170.4173.4171.8-9.1112.9F724 H728 S731 L788 V789 S794 E795 S796F724-R792 HydrophobicContact CD2-CB 4.13Å; F724-R792 HydrophobicContact CE2-CB 3.77Å; H728-R792 PolarHBondContact ND1-NH1 3.38Å; H728-R792 PolarHBondContact O-NH2 2.9Å; S731-R792 VanDerWaalsContact OG-CZ 3.27Å; S731-R792 PolarHBondContact OG-NE 2.88Å; S731-R792 PolarHBondContact OG-NH2 3.5Å; L788-R792 VanDerWaalsContact O-CD 3.29Å; L788-R792 WeakPolarHBondContact O-CD 3.32Å; L788-R792 WeakPolarHBondContact O-CG 3.32Å; L788-R792 PolarHBondContact O-N 2.96Å; V789-R792 PolarHBondContact O-N 3.27Å; R792-S794 VanDerWaalsContact C-N 3.3Å; R792-E795 PolarHBondContact O-N 3.06Å; R792-S796 WeakPolarHBondContact O-CB 3.46Å; R792-S796 PolarHBondContact O-N 3.38Å; R792-S796 PolarHBondContact O-OG 2.92Å
793I89.9Confident84.4Confident3 Ų333.4 Ų33.42%0.01518%0.177CC..Hα-helixtrans-63.9-40.3174.7-65.7-72.4000109.8A354 F724 V789 E790 M797 V849 L852A354-I793 HydrophobicContact CB-CB 4.09Å; A354-I793 HydrophobicContact CB-CG1 4.4Å; A354-I793 HydrophobicContact CB-CG2 4.03Å; F724-I793 HydrophobicContact CD2-CD1 3.83Å; F724-I793 HydrophobicContact CD2-CG1 4.44Å; F724-I793 HydrophobicContact CE2-CD1 3.62Å; F724-I793 HydrophobicContact CE2-CG1 3.96Å; F724-I793 HydrophobicContact CZ-CD1 4.37Å; V789-I793 HydrophobicContact CG1-CG1 4.23Å; V789-I793 VanDerWaalsContact O-CG1 3.24Å; V789-I793 WeakPolarHBondContact O-CG1 3.43Å; V789-I793 PolarHBondContact O-N 2.91Å; E790-I793 PolarHBondContact O-N 2.77Å; I793-M797 WeakPolarHBondContact O-CB 3.36Å; I793-M797 PolarHBondContact O-N 2.85Å; I793-V849 HydrophobicContact CG2-CG1 3.66Å; I793-L852 HydrophobicContact CD1-CB 4.19Å; I793-L852 HydrophobicContact CD1-CD2 3.81Å; I793-L852 HydrophobicContact CD1-CG 3.72Å
794S91.3Very high85.5Confident22 Ų2227.5 Ų27.515%0.15415%0.15CC..Hα-helixtrans-59.7-50.2174.2179.70000112.6A347 E790 D791 R792 G798A347-S794 VanDerWaalsContact CA-O 3.32Å; A347-S794 WeakPolarHBondContact CA-O 3.48Å; A347-S794 WeakPolarHBondContact CB-O 3.44Å; A347-S794 PolarHBondContact O-OG 2.95Å; E790-S794 WeakPolarHBondContact O-CB 3.49Å; E790-S794 PolarHBondContact O-N 3.11Å; D791-S794 WeakPolarHBondContact O-CB 3.12Å; D791-S794 PolarHBondContact O-N 2.86Å; R792-S794 VanDerWaalsContact C-N 3.3Å; S794-G798 PolarHBondContact O-N 3.5Å; S794-G798 VanDerWaalsContact O-N 3.07Å
795E88Confident86.7Confident80 Ų8025.7 Ų25.737%0.37414%0.136SC..Hα-helixtrans-59.9-50.8176.5-172.4-172-169.600111.6S727 R730 D791 R792 M797 G798 S799S727-E795 VanDerWaalsContact CB-OE2 3.24Å; S727-E795 WeakPolarHBondContact CB-OE2 3.48Å; S727-E795 PolarHBondContact OG-OE2 3.22Å; R730-E795 IonicContact CZ-OE1 2.77Å; R730-E795 IonicContact NH1-OE1 2.64Å; R730-E795 PolarHBondContact NH1-OE1 2.74Å; D791-E795 PolarHBondContact O-N 2.96Å; R792-E795 PolarHBondContact O-N 3.06Å; E795-M797 PolarHBondContact O-N 2.89Å; E795-G798 PolarHBondContact O-N 3.39Å; E795-S799 PolarHBondContact O-N 3.2Å
796S89.5Confident87.9Confident1 Ų124.3 Ų24.31%0.00713%0.128CC..Hα-helixtrans-61.8-44.7-176.3-50.90000111.7F724 R792 S799 V800F724-S796 WeakPolarHBondContact CA-OG 3.49Å; R792-S796 WeakPolarHBondContact O-CB 3.46Å; R792-S796 PolarHBondContact O-N 3.38Å; R792-S796 PolarHBondContact O-OG 2.92Å; S796-S799 PolarHBondContact O-N 3.26Å; S796-V800 PolarHBondContact O-N 2.84Å
797M92.7Very high88.7Confident2 Ų221 Ų211%0.0111%0.114CC..Hα-helixtrans-66.4-40.9179.1-162.169.9-165.300111.5F346 L720 I793 E795 S799 G801 I845 V849F346-M797 HydrophobicContact CB-CG 4.22Å; F346-M797 WeakPolarHBondContact CB-O 3.4Å; F346-M797 HydrophobicContact CD1-CE 3.6Å; F346-M797 HydrophobicContact CD1-CG 4.25Å; F346-M797 HydrophobicContact CE1-CE 3.91Å; F346-M797 WeakPolarHBondContact O-CB 3.24Å; F346-M797 WeakPolarHBondContact O-CG 3.35Å; L720-M797 HydrophobicContact CD1-SD 4.24Å; I793-M797 WeakPolarHBondContact O-CB 3.36Å; I793-M797 PolarHBondContact O-N 2.85Å; E795-M797 PolarHBondContact O-N 2.89Å; M797-S799 VanDerWaalsContact C-N 3.31Å; M797-S799 PolarHBondContact O-N 3.21Å; M797-G801 VanDerWaalsContact O-CA 3.31Å; M797-G801 WeakPolarHBondContact O-CA 3.41Å; M797-G801 PolarHBondContact O-N 3.38Å; M797-I845 HydrophobicContact CE-CB 3.82Å; M797-I845 HydrophobicContact CE-CG2 3.62Å; M797-V849 HydrophobicContact CE-CG2 4.4Å; M797-V849 HydrophobicContact SD-CG2 3.78Å
798G90.1Very high89.5Confident2 Ų217.1 Ų17.12%0.0219%0.094CC..Hα-helixtrans-61.7-36.4175.500000113.5T343 S794 E795 P802T343-G798 WeakPolarHBondContact CA-O 3.46Å; T343-G798 WeakPolarHBondContact O-CA 3.43Å; S794-G798 PolarHBondContact O-N 3.5Å; S794-G798 VanDerWaalsContact O-N 3.07Å; E795-G798 PolarHBondContact O-N 3.39Å; G798-P802 WeakPolarHBondContact O-CD 3.25Å
799S87Confident90.2Very high43 Ų4318.4 Ų18.430%0.30110%0.101SC..Hα-helixtrans-72.9-51.9179-169.20000112.6E723 E795 S796 M797 R1329E723-S799 WeakPolarHBondContact OE1-CB 3.35Å; E723-S799 PolarHBondContact OE1-OG 3.29Å; E795-S799 PolarHBondContact O-N 3.2Å; S796-S799 PolarHBondContact O-N 3.26Å; M797-S799 VanDerWaalsContact C-N 3.31Å; M797-S799 PolarHBondContact O-N 3.21Å; S799-R1329 PolarHBondContact O-NH1 2.03Å
800V89.1Confident90.8Very high9 Ų918.3 Ų18.36%0.05510%0.101CC..Hα-helixtrans-94.4-34.6-169.1171.20000113.8I719 L720 E723 S796 P802 S803 M804I719-V800 HydrophobicContact CB-CG1 4.29Å; I719-V800 HydrophobicContact CG2-CB 4.43Å; I719-V800 HydrophobicContact CG2-CG1 3.59Å; I719-V800 HydrophobicContact CG2-CG2 3.93Å; L720-V800 HydrophobicContact CB-CG1 4.38Å; L720-V800 HydrophobicContact CD1-CB 4.4Å; L720-V800 HydrophobicContact CD1-CG1 4.4Å; E723-V800 HydrophobicContact CB-CG2 3.62Å; E723-V800 HydrophobicContact CG-CG2 3.9Å; S796-V800 PolarHBondContact O-N 2.84Å; V800-P802 VanDerWaalsContact C-CD 3.45Å; V800-P802 VanDerWaalsContact C-N 3.33Å; V800-S803 WeakPolarHBondContact O-CA 3.29Å; V800-S803 VanDerWaalsContact O-CB 3.27Å; V800-S803 WeakPolarHBondContact O-CB 3.4Å; V800-S803 PolarHBondContact O-N 2.87Å; V800-M804 HydrophobicContact CG1-CG 3.87Å; V800-M804 HydrophobicContact CG1-SD 3.83Å; V800-M804 PolarHBondContact O-N 3.01Å; V800-M804 VanDerWaalsContact O-N 3.15Å
801G92Very high91Very high0 Ų017.5 Ų17.50%010%0.097CC..Hα-helixtrans-51-41.4-177.800000115M797 S803 M804 L805M797-G801 VanDerWaalsContact O-CA 3.31Å; M797-G801 WeakPolarHBondContact O-CA 3.41Å; M797-G801 PolarHBondContact O-N 3.38Å; G801-S803 VanDerWaalsContact C-N 3.3Å; G801-S803 PolarHBondContact O-N 2.88Å; G801-M804 PolarHBondContact O-N 3.08Å; G801-L805 WeakPolarHBondContact O-CB 3.35Å; G801-L805 PolarHBondContact O-N 3.14Å
802P91.3Very high91.5Very high1 Ų114.2 Ų14.21%0.0068%0.08CC..Hα-helixtrans-64.7-27.8174.2-2030.8000114.4L342 F346 G798 V800 L806L342-P802 HydrophobicContact CB-CB 4.08Å; L342-P802 HydrophobicContact CB-CG 3.96Å; L342-P802 HydrophobicContact CD1-CB 4.23Å; F346-P802 HydrophobicContact CD2-CG 3.87Å; F346-P802 HydrophobicContact CE2-CG 4.47Å; G798-P802 WeakPolarHBondContact O-CD 3.25Å; V800-P802 VanDerWaalsContact C-CD 3.45Å; V800-P802 VanDerWaalsContact C-N 3.33Å; P802-L806 WeakPolarHBondContact O-CB 3.4Å; P802-L806 PolarHBondContact O-N 3.18Å
803S90.5Very high91.9Very high9 Ų916.1 Ų16.16%0.0639%0.092CC..Hα-helixtrans-70.4-51.5171.5-66.70000111.1V800 G801 L805 L806 T807 R1329V800-S803 WeakPolarHBondContact O-CA 3.29Å; V800-S803 VanDerWaalsContact O-CB 3.27Å; V800-S803 WeakPolarHBondContact O-CB 3.4Å; V800-S803 PolarHBondContact O-N 2.87Å; G801-S803 VanDerWaalsContact C-N 3.3Å; G801-S803 PolarHBondContact O-N 2.88Å; S803-L805 PolarHBondContact O-N 2.82Å; S803-L806 WeakPolarHBondContact O-CB 3.4Å; S803-L806 PolarHBondContact O-N 3.5Å; S803-L806 VanDerWaalsContact O-N 3.09Å; S803-T807 PolarHBondContact O-N 3.03Å; S803-T807 VanDerWaalsContact O-N 3.14Å; S803-R1329 WeakPolarHBondContact OG-CD 3.21Å; S803-R1329 PolarHBondContact OG-NH1 3.46Å
804M92Very high92Very high2 Ų216.1 Ų16.11%0.019%0.092CC..Hα-helixtrans-58.5-38.3-179.1-64.5169.767.500111.9N716 L720 V800 G801 S808 F841 Q844 I845N716-M804 HydrophobicContact CB-CE 3.87Å; N716-M804 HydrophobicContact CB-CG 4.31Å; N716-M804 WeakPolarHBondContact OD1-CG 3.42Å; L720-M804 HydrophobicContact CB-SD 4.47Å; V800-M804 HydrophobicContact CG1-CG 3.87Å; V800-M804 HydrophobicContact CG1-SD 3.83Å; V800-M804 PolarHBondContact O-N 3.01Å; V800-M804 VanDerWaalsContact O-N 3.15Å; G801-M804 PolarHBondContact O-N 3.08Å; M804-S808 WeakPolarHBondContact O-CB 3.36Å; M804-S808 PolarHBondContact O-N 3.2Å; M804-S808 VanDerWaalsContact O-N 3.16Å; M804-S808 PolarHBondContact O-OG 3.08Å; M804-F841 HydrophobicContact CB-CD2 4.46Å; M804-F841 HydrophobicContact CB-CE2 4.14Å; M804-Q844 HydrophobicContact CE-CB 4.08Å; M804-I845 HydrophobicContact CE-CG2 4.49Å
805L94.2Very high92.2Very high39 Ų3915.2 Ų15.220%0.2049%0.086CC..Hα-helixtrans-68.8-41.6176.4178.163.2000111.9F346 G801 S803 L809 F841 F1272F346-L805 HydrophobicContact CE2-CB 4.17Å; F346-L805 HydrophobicContact CE2-CD2 3.86Å; F346-L805 HydrophobicContact CZ-CB 3.88Å; F346-L805 HydrophobicContact CZ-CD2 3.85Å; F346-L805 HydrophobicContact CZ-CG 4.41Å; G801-L805 WeakPolarHBondContact O-CB 3.35Å; G801-L805 PolarHBondContact O-N 3.14Å; S803-L805 PolarHBondContact O-N 2.82Å; L805-L809 HydrophobicContact CD1-CB 4.49Å; L805-L809 WeakPolarHBondContact O-CB 3.46Å; L805-L809 PolarHBondContact O-N 3.03Å; L805-F841 HydrophobicContact CB-CE2 3.99Å; L805-F841 HydrophobicContact CB-CZ 3.89Å; L805-F841 HydrophobicContact CD1-CE1 3.83Å; L805-F841 HydrophobicContact CD1-CE2 4.29Å; L805-F841 HydrophobicContact CD1-CZ 3.6Å; L805-F841 HydrophobicContact CG-CZ 4.29Å; L805-F1272 HydrophobicContact CB-CE1 4.32Å; L805-F1272 HydrophobicContact CD2-CE1 3.87Å; L805-F1272 HydrophobicContact CD2-CZ 3.76Å; L805-F1272 HydrophobicContact CG-CE1 3.89Å; L805-F1272 HydrophobicContact CG-CZ 3.77Å
806L92.8Very high92.5Very high3 Ų315.3 Ų15.32%0.0169%0.085CC..Hα-helixtrans-57.5-53.2178.2167.151.9000111.1P802 S803 S810 V1268 T1269 F1272 F1273 A1325P802-L806 WeakPolarHBondContact O-CB 3.4Å; P802-L806 PolarHBondContact O-N 3.18Å; S803-L806 WeakPolarHBondContact O-CB 3.4Å; S803-L806 PolarHBondContact O-N 3.5Å; S803-L806 VanDerWaalsContact O-N 3.09Å; L806-S810 VanDerWaalsContact O-CB 3.29Å; L806-S810 WeakPolarHBondContact O-CB 3.38Å; L806-S810 PolarHBondContact O-N 3.33Å; L806-S810 PolarHBondContact O-OG 2.8Å; L806-V1268 HydrophobicContact CD1-CG1 4.16Å; L806-T1269 HydrophobicContact CD1-CG2 4.01Å; L806-F1272 HydrophobicContact CB-CB 4.47Å; L806-F1272 HydrophobicContact CB-CD1 3.72Å; L806-F1272 HydrophobicContact CB-CE1 4.19Å; L806-F1272 HydrophobicContact CB-CG 4.16Å; L806-F1272 HydrophobicContact CD1-CB 3.64Å; L806-F1272 HydrophobicContact CD1-CD1 4.29Å; L806-F1272 HydrophobicContact CD1-CD2 4.3Å; L806-F1272 HydrophobicContact CD1-CG 3.83Å; L806-F1272 HydrophobicContact CD2-CB 4.16Å; L806-F1272 HydrophobicContact CG-CB 4.3Å; L806-F1272 HydrophobicContact CG-CD1 4.45Å; L806-F1272 HydrophobicContact CG-CG 4.44Å; L806-F1273 HydrophobicContact CD2-CE1 4.33Å; L806-F1273 HydrophobicContact CD2-CZ 4.17Å; L806-A1325 HydrophobicContact CD2-CB 4.38Å
807T93.3Very high92.6Very high0 Ų016.7 Ų16.70%09%0.094CC..Hα-helixtrans-68.8-56.5-175.662.10000110.9S803 L809 S810 E811 V1321 E1322 A1325S803-T807 PolarHBondContact O-N 3.03Å; S803-T807 VanDerWaalsContact O-N 3.14Å; T807-L809 VanDerWaalsContact C-N 3.25Å; T807-L809 PolarHBondContact O-N 3.34Å; T807-L809 VanDerWaalsContact O-N 3.14Å; T807-S810 PolarHBondContact O-N 2.92Å; T807-S810 PolarHBondContact O-OG 3.31Å; T807-E811 WeakPolarHBondContact O-CG 3.26Å; T807-E811 PolarHBondContact O-N 3.38Å; T807-V1321 HydrophobicContact CG2-CG1 4.45Å; T807-E1322 WeakPolarHBondContact CB-OE1 3.4Å; T807-E1322 WeakPolarHBondContact CB-OE2 3.43Å; T807-E1322 WeakPolarHBondContact CG2-OE2 3.45Å; T807-E1322 VanDerWaalsContact OG1-CD 3.29Å; T807-E1322 PolarHBondContact OG1-OE1 3.31Å; T807-E1322 PolarHBondContact OG1-OE2 3.12Å; T807-A1325 HydrophobicContact CG2-CB 3.94Å
808S94.2Very high92.4Very high4 Ų416.6 Ų16.63%0.0289%0.094CC..Hα-helixtrans-54.2-37.9179.7-49.90000113.3N716 M804 S812 I837N716-S808 PolarHBondContact ND2-OG 2.94Å; M804-S808 WeakPolarHBondContact O-CB 3.36Å; M804-S808 PolarHBondContact O-N 3.2Å; M804-S808 VanDerWaalsContact O-N 3.16Å; M804-S808 PolarHBondContact O-OG 3.08Å; S808-S812 WeakPolarHBondContact O-CB 3.39Å; S808-S812 PolarHBondContact O-N 3.45Å; S808-I837 WeakPolarHBondContact O-CG2 3.31Å
809L94.3Very high92.4Very high66 Ų6617 Ų1735%0.34610%0.097SC..Hα-helixtrans-72.5-43.6175.7-17764.9000111.8L805 T807 E811 S812 V813 V1268 F1272L805-L809 HydrophobicContact CD1-CB 4.49Å; L805-L809 WeakPolarHBondContact O-CB 3.46Å; L805-L809 PolarHBondContact O-N 3.03Å; T807-L809 VanDerWaalsContact C-N 3.25Å; T807-L809 PolarHBondContact O-N 3.34Å; T807-L809 VanDerWaalsContact O-N 3.14Å; L809-E811 VanDerWaalsContact C-N 3.32Å; L809-E811 PolarHBondContact O-N 2.94Å; L809-S812 PolarHBondContact O-N 3.4Å; L809-V813 HydrophobicContact CD1-CG2 3.83Å; L809-V813 HydrophobicContact CG-CG2 4.22Å; L809-V813 WeakPolarHBondContact O-CB 3.46Å; L809-V813 VanDerWaalsContact O-CG2 3.26Å; L809-V813 WeakPolarHBondContact O-CG2 3.32Å; L809-V813 PolarHBondContact O-N 3.32Å; L809-V1268 HydrophobicContact CB-CG1 4.41Å; L809-V1268 HydrophobicContact CD2-CG1 4.1Å; L809-V1268 HydrophobicContact CG-CG1 4.17Å; L809-F1272 HydrophobicContact CD2-CE2 3.83Å; L809-F1272 HydrophobicContact CD2-CZ 4.12Å
810S94.1Very high92.6Very high0 Ų020.1 Ų20.10%011%0.11CC..Hα-helixtrans-62.7-39.6179.569.90000112.2L806 T807 A814 V1321L806-S810 VanDerWaalsContact O-CB 3.29Å; L806-S810 WeakPolarHBondContact O-CB 3.38Å; L806-S810 PolarHBondContact O-N 3.33Å; L806-S810 PolarHBondContact O-OG 2.8Å; T807-S810 PolarHBondContact O-N 2.92Å; T807-S810 PolarHBondContact O-OG 3.31Å; S810-A814 VanDerWaalsContact O-CB 3.24Å; S810-A814 WeakPolarHBondContact O-CB 3.02Å; S810-A814 PolarHBondContact O-N 3.05Å; S810-V1321 WeakPolarHBondContact OG-CG1 3.47Å
811E93.3Very high92.4Very high0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-68.2-51.2173.8-65.1-171.9123.200111.5I712 T807 L809 V813 A814 F815 I837I712-E811 WeakPolarHBondContact CD1-OE1 3.49Å; I712-E811 WeakPolarHBondContact CD1-OE2 3.45Å; I712-E811 WeakPolarHBondContact CG1-OE1 3.4Å; I712-E811 VanDerWaalsContact CG1-OE2 3.26Å; I712-E811 WeakPolarHBondContact CG1-OE2 3.14Å; I712-E811 WeakPolarHBondContact CG2-OE2 3.31Å; T807-E811 WeakPolarHBondContact O-CG 3.26Å; T807-E811 PolarHBondContact O-N 3.38Å; L809-E811 VanDerWaalsContact C-N 3.32Å; L809-E811 PolarHBondContact O-N 2.94Å; E811-V813 VanDerWaalsContact C-N 3.33Å; E811-V813 PolarHBondContact O-N 3.06Å; E811-A814 CarbonylContact O-C 3.49Å; E811-A814 WeakPolarHBondContact O-CB 3.02Å; E811-A814 PolarHBondContact O-N 3.01Å; E811-A814 VanDerWaalsContact O-N 3.1Å; E811-F815 HydrophobicContact CB-CD2 4.4Å; E811-F815 HydrophobicContact CB-CE2 4.3Å; E811-F815 WeakPolarHBondContact O-CD2 3.5Å; E811-F815 PolarHBondContact O-N 2.89Å; E811-I837 HydrophobicContact CB-CD1 4Å
812S94.8Very high92Very high4 Ų424.1 Ų24.13%0.02813%0.134CC..Hα-helixtrans-58.6-43.5-179.11760000112.1S808 L809 F815 F816 A834 V838S808-S812 WeakPolarHBondContact O-CB 3.39Å; S808-S812 PolarHBondContact O-N 3.45Å; L809-S812 PolarHBondContact O-N 3.4Å; S812-F815 PolarHBondContact O-N 3.39Å; S812-F816 WeakPolarHBondContact O-CD2 3.36Å; S812-F816 PolarHBondContact O-N 3.21Å; S812-F816 WeakPolarHBondContact OG-CE2 3.44Å; S812-A834 PolarHBondContact OG-O 2.77Å; S812-V838 VanDerWaalsContact OG-CG2 3.24Å; S812-V838 WeakPolarHBondContact OG-CG2 3.47Å
813V94.9Very high91.6Very high48 Ų4824.6 Ų24.629%0.29114%0.137SC..Hα-helixtrans-67.8-37.9175.9-179.40000111.1L809 E811 F816 C817 A1264 V1268L809-V813 HydrophobicContact CD1-CG2 3.83Å; L809-V813 HydrophobicContact CG-CG2 4.22Å; L809-V813 WeakPolarHBondContact O-CB 3.46Å; L809-V813 VanDerWaalsContact O-CG2 3.26Å; L809-V813 WeakPolarHBondContact O-CG2 3.32Å; L809-V813 PolarHBondContact O-N 3.32Å; E811-V813 VanDerWaalsContact C-N 3.33Å; E811-V813 PolarHBondContact O-N 3.06Å; V813-F816 PolarHBondContact O-N 2.7Å; V813-C817 PolarHBondContact O-N 3.31Å; V813-C817 PolarHBondContact O-SG 3.39Å; V813-A1264 HydrophobicContact CG1-CB 4.02Å; V813-V1268 HydrophobicContact CB-CG2 4.41Å; V813-V1268 HydrophobicContact CG2-CG2 4.44Å
814A93.5Very high91.4Very high3 Ų325.5 Ų25.53%0.02514%0.142CC..Hα-helixtrans-61.7-43.9172.900000112.1S810 E811 C817 G818 C1261 I1265S810-A814 VanDerWaalsContact O-CB 3.24Å; S810-A814 WeakPolarHBondContact O-CB 3.02Å; S810-A814 PolarHBondContact O-N 3.05Å; E811-A814 CarbonylContact O-C 3.49Å; E811-A814 WeakPolarHBondContact O-CB 3.02Å; E811-A814 PolarHBondContact O-N 3.01Å; E811-A814 VanDerWaalsContact O-N 3.1Å; A814-C817 PolarHBondContact O-N 3.42Å; A814-G818 PolarHBondContact O-N 3.3Å; A814-C1261 HydrophobicContact CB-CB 4.29Å; A814-C1261 PolarHBondContact O-SG 3.33Å; A814-I1265 HydrophobicContact CB-CD1 4.38Å; A814-I1265 HydrophobicContact CB-CG1 4.12Å
815F93.8Very high91Very high3 Ų325.6 Ų25.61%0.01314%0.144CC..Hα-helixtrans-67.5-36174.6-72.5-67.1000112.5L708 E811 S812 G818 A819 F829 A830 A833 A834 I837 V1314 V1315L708-F815 HydrophobicContact CD1-CE1 4.37Å; L708-F815 HydrophobicContact CD1-CE2 4.4Å; L708-F815 HydrophobicContact CD1-CZ 3.79Å; E811-F815 HydrophobicContact CB-CD2 4.4Å; E811-F815 HydrophobicContact CB-CE2 4.3Å; E811-F815 WeakPolarHBondContact O-CD2 3.5Å; E811-F815 PolarHBondContact O-N 2.89Å; S812-F815 PolarHBondContact O-N 3.39Å; F815-G818 CarbonylContact O-C 3.59Å; F815-G818 WeakPolarHBondContact O-CA 3.48Å; F815-G818 PolarHBondContact O-N 2.85Å; F815-G818 VanDerWaalsContact O-N 3.1Å; F815-A819 PolarHBondContact O-N 3.17Å; F815-A819 VanDerWaalsContact O-N 3.1Å; F815-F829 HydrophobicContact CD1-CE1 4.46Å; F815-F829 HydrophobicContact CE1-CE1 4.1Å; F815-A830 WeakPolarHBondContact O-CB 3.45Å; F815-A833 HydrophobicContact CD1-CB 4.13Å; F815-A833 HydrophobicContact CE1-CB 4.49Å; F815-A833 HydrophobicContact CG-CB 4.18Å; F815-A834 HydrophobicContact CB-CB 3.76Å; F815-I837 HydrophobicContact CD2-CD1 3.45Å; F815-I837 VanDerWaalsContact CD2-CD1 3.45Å; F815-I837 HydrophobicContact CE2-CD1 3.57Å; F815-V1314 HydrophobicContact CD1-CG1 3.93Å; F815-V1314 HydrophobicContact CE1-CG1 3.82Å; F815-V1315 HydrophobicContact CE1-CG2 4.18Å; F815-V1315 HydrophobicContact CZ-CG2 4.29Å
816F94.6Very high90.5Very high82 Ų8223.9 Ų23.936%0.3614%0.135SC..Hα-helixtrans-64.4-41.2171.8-82.2-57.5000112.5S812 V813 G818 A819 L831 A834 M835S812-F816 WeakPolarHBondContact O-CD2 3.36Å; S812-F816 PolarHBondContact O-N 3.21Å; S812-F816 WeakPolarHBondContact OG-CE2 3.44Å; V813-F816 PolarHBondContact O-N 2.7Å; F816-G818 VanDerWaalsContact C-N 3.26Å; F816-G818 PolarHBondContact O-N 2.77Å; F816-A819 WeakPolarHBondContact O-CB 3.26Å; F816-A819 PolarHBondContact O-N 2.93Å; F816-A819 VanDerWaalsContact O-N 3.15Å; F816-L831 HydrophobicContact CD1-CD2 4.36Å; F816-L831 HydrophobicContact CE1-CD2 4.43Å; F816-A834 HydrophobicContact CD1-CB 3.81Å; F816-A834 HydrophobicContact CD2-CB 3.69Å; F816-A834 HydrophobicContact CE1-CB 3.8Å; F816-A834 HydrophobicContact CE2-CB 3.69Å; F816-A834 HydrophobicContact CG-CB 3.75Å; F816-A834 HydrophobicContact CZ-CB 3.74Å; F816-M835 HydrophobicContact CZ-CG 4.25Å; F816-M835 HydrophobicContact CZ-SD 3.82Å
817C92.2Very high90.4Very high30 Ų3030.1 Ų30.120%0.20316%0.158CC..Hα-helixtrans-61.8-36.6169.2-73.10000111.5V813 A814 A819 L820 I1260V813-C817 PolarHBondContact O-N 3.31Å; V813-C817 PolarHBondContact O-SG 3.39Å; A814-C817 PolarHBondContact O-N 3.42Å; C817-A819 PolarHBondContact O-N 2.86Å; C817-L820 WeakPolarHBondContact O-CB 2.93Å; C817-L820 WeakPolarHBondContact O-CD1 3.38Å; C817-L820 VanDerWaalsContact O-CG 3.32Å; C817-L820 WeakPolarHBondContact O-CG 3.46Å; C817-L820 PolarHBondContact O-N 3.09Å; C817-I1260 HydrophobicContact CB-CG1 4.19Å; C817-I1260 HydrophobicContact CB-CG2 4.24Å
818G88.2Confident90.3Very high0 Ų031.4 Ų31.40%017%0.166CC..Hα-helixtrans-64.6-14.5173.900000115.1A814 F815 F816 L820 Q1257A814-G818 PolarHBondContact O-N 3.3Å; F815-G818 CarbonylContact O-C 3.59Å; F815-G818 WeakPolarHBondContact O-CA 3.48Å; F815-G818 PolarHBondContact O-N 2.85Å; F815-G818 VanDerWaalsContact O-N 3.1Å; F816-G818 VanDerWaalsContact C-N 3.26Å; F816-G818 PolarHBondContact O-N 2.77Å; G818-L820 PolarHBondContact O-N 3.11Å; G818-Q1257 VanDerWaalsContact CA-NE2 3.33Å; G818-Q1257 PolarHBondContact O-NE2 3.06Å; G818-Q1257 PolarHBondContact O-OE1 3.34Å
819A91.2Very high90.1Very high11 Ų1131.3 Ų31.39%0.09117%0.165CC..THydrogen-bonded Turntrans-79.70.1173.800000113.9F815 F816 C817 R827 A830 L831F815-A819 PolarHBondContact O-N 3.17Å; F815-A819 VanDerWaalsContact O-N 3.1Å; F816-A819 WeakPolarHBondContact O-CB 3.26Å; F816-A819 PolarHBondContact O-N 2.93Å; F816-A819 VanDerWaalsContact O-N 3.15Å; C817-A819 PolarHBondContact O-N 2.86Å; A819-R827 WeakPolarHBondContact O-CD 3.37Å; A819-R827 VanDerWaalsContact O-CG 3.32Å; A819-R827 WeakPolarHBondContact O-CG 3.4Å; A819-A830 HydrophobicContact CB-CB 4.3Å; A819-L831 HydrophobicContact CB-CD2 3.66Å; A819-L831 HydrophobicContact CB-CG 3.75Å
820L89.8Confident90Very high109 Ų10928.3 Ų28.357%0.57115%0.149SC*.THydrogen-bonded Turntrans-84.2-10.7-179.4-64.5171000114.3C817 G818 I1260C817-L820 WeakPolarHBondContact O-CB 2.93Å; C817-L820 WeakPolarHBondContact O-CD1 3.38Å; C817-L820 VanDerWaalsContact O-CG 3.32Å; C817-L820 WeakPolarHBondContact O-CG 3.46Å; C817-L820 PolarHBondContact O-N 3.09Å; G818-L820 PolarHBondContact O-N 3.11Å; L820-I1260 HydrophobicContact CD1-CD1 3.73Å
821T85.9Confident90Very high2 Ų229.8 Ų29.81%0.01216%0.157CC..SBendtrans-66.1151.5176.9-179.50000113M823 V826 R827 E1253T821-M823 VanDerWaalsContact C-N 3.26Å; T821-M823 PolarHBondContact O-N 3.31Å; T821-M823 PolarHBondContact OG1-N 2.97Å; T821-V826 HydrophobicContact CG2-CB 3.79Å; T821-V826 HydrophobicContact CG2-CG1 3.77Å; T821-R827 HydrophobicContact CG2-CB 4.31Å; T821-E1253 WeakPolarHBondContact CB-OE2 3.34Å; T821-E1253 PolarHBondContact OG1-OE2 3.09Å
822T84Confident90.1Very high91 Ų9129.9 Ų29.956%0.55816%0.157SC*.SBendtrans-72.4-15.1176.758.60000113.9P824 E1253T822-P824 WeakPolarHBondContact O-CD 3.45Å; T822-E1253 WeakPolarHBondContact CB-OE1 3.43Å; T822-E1253 VanDerWaalsContact CG2-OE1 3.25Å; T822-E1253 WeakPolarHBondContact CG2-OE1 3.24Å; T822-E1253 PolarHBondContact N-OE2 3.06Å; T822-E1253 VanDerWaalsContact OG1-CD 3.23Å; T822-E1253 PolarHBondContact OG1-OE1 2.79Å
823M81.8Confident90Very high10 Ų1029.7 Ų29.75%0.04916%0.156CC..  trans-81.1116.8-174.4-59.5-168.9-17800112.4T821 A825 V826 R827 Q1246 L1250 E1253 A1307T821-M823 VanDerWaalsContact C-N 3.26Å; T821-M823 PolarHBondContact O-N 3.31Å; T821-M823 PolarHBondContact OG1-N 2.97Å; M823-A825 PolarHBondContact O-N 2.89Å; M823-V826 HydrophobicContact CB-CB 4.15Å; M823-V826 HydrophobicContact CB-CG2 3.76Å; M823-V826 PolarHBondContact O-N 3.13Å; M823-V826 HydrophobicContact SD-CG2 4.38Å; M823-R827 WeakPolarHBondContact O-CB 3.46Å; M823-R827 PolarHBondContact O-N 2.76Å; M823-Q1246 HydrophobicContact CE-CB 4.11Å; M823-L1250 HydrophobicContact CE-CB 4.25Å; M823-L1250 HydrophobicContact CE-CD1 3.75Å; M823-L1250 HydrophobicContact SD-CD1 4.37Å; M823-E1253 HydrophobicContact CE-CB 4.33Å; M823-E1253 HydrophobicContact CE-CG 4.33Å; M823-A1307 HydrophobicContact SD-CB 4.05Å
824P86.8Confident90Very high29 Ų2927.4 Ų27.419%0.18814%0.142CC..Hα-helixtrans-59.1-49.7-172.3-25.934.7000114.3T822 V826 R827 V828T822-P824 WeakPolarHBondContact O-CD 3.45Å; P824-V826 VanDerWaalsContact C-N 3.3Å; P824-V826 PolarHBondContact O-N 3.45Å; P824-R827 PolarHBondContact O-N 2.86Å; P824-V828 WeakPolarHBondContact O-CG2 3.3Å; P824-V828 PolarHBondContact O-N 3.33Å
825A82.8Confident90.1Very high4 Ų428.5 Ų28.53%0.03315%0.147CC..Hα-helixtrans-56.6-42.4179.700000112.7L387 W388 I700 M823 F829L387-A825 WeakPolarHBondContact O-CB 3.36Å; L387-A825 PolarHBondContact O-N 2.93Å; W388-A825 HydrophobicContact CE3-CB 4.27Å; W388-A825 HydrophobicContact CZ3-CB 3.91Å; I700-A825 HydrophobicContact CD1-CB 4.31Å; M823-A825 PolarHBondContact O-N 2.89Å; A825-F829 WeakPolarHBondContact O-CB 3.3Å; A825-F829 PolarHBondContact O-N 2.64Å
826V84.5Confident90.2Very high3 Ų328.3 Ų28.32%0.01815%0.146CC..Hα-helixtrans-69.8-45.1179.6-170.30000110.8T821 M823 P824 F829 A830 A1307 V1311T821-V826 HydrophobicContact CG2-CB 3.79Å; T821-V826 HydrophobicContact CG2-CG1 3.77Å; M823-V826 HydrophobicContact CB-CB 4.15Å; M823-V826 HydrophobicContact CB-CG2 3.76Å; M823-V826 PolarHBondContact O-N 3.13Å; M823-V826 HydrophobicContact SD-CG2 4.38Å; P824-V826 VanDerWaalsContact C-N 3.3Å; P824-V826 PolarHBondContact O-N 3.45Å; V826-F829 PolarHBondContact O-N 2.94Å; V826-A830 VanDerWaalsContact O-CB 3.31Å; V826-A830 WeakPolarHBondContact O-CB 3.33Å; V826-A830 PolarHBondContact O-N 3.03Å; V826-A1307 HydrophobicContact CG2-CB 4.13Å; V826-V1311 HydrophobicContact CB-CG2 4.16Å; V826-V1311 HydrophobicContact CG1-CG2 3.88Å; V826-V1311 HydrophobicContact CG2-CG2 3.99Å
827R90.1Very high90.2Very high134 Ų13424.5 Ų24.551%0.50613%0.13SC..Hα-helixtrans-63.3-46.8179.8173166.5176.8-167.5-0.9112.7A819 T821 M823 P824 A830 L831A819-R827 WeakPolarHBondContact O-CD 3.37Å; A819-R827 VanDerWaalsContact O-CG 3.32Å; A819-R827 WeakPolarHBondContact O-CG 3.4Å; T821-R827 HydrophobicContact CG2-CB 4.31Å; M823-R827 WeakPolarHBondContact O-CB 3.46Å; M823-R827 PolarHBondContact O-N 2.76Å; P824-R827 PolarHBondContact O-N 2.86Å; R827-A830 PolarHBondContact O-N 2.96Å; R827-L831 HydrophobicContact CG-CD1 4.43Å; R827-L831 WeakPolarHBondContact O-CG 3.2Å; R827-L831 PolarHBondContact O-N 2.84Å; R827-L831 VanDerWaalsContact O-N 3.11Å
828V91.1Very high90.4Very high26 Ų2625.3 Ų25.316%0.15813%0.133CC..Hα-helixtrans-69.5-39.9178.7-175.50000110.4I701 P824 A830 L831 Y832I701-V828 HydrophobicContact CD1-CB 4.26Å; I701-V828 HydrophobicContact CD1-CG1 3.67Å; P824-V828 WeakPolarHBondContact O-CG2 3.3Å; P824-V828 PolarHBondContact O-N 3.33Å; V828-A830 VanDerWaalsContact C-N 3.35Å; V828-A830 PolarHBondContact O-N 3.33Å; V828-L831 PolarHBondContact O-N 3.12Å; V828-Y832 HydrophobicContact CG1-CD2 3.76Å; V828-Y832 HydrophobicContact CG1-CE2 3.53Å; V828-Y832 VanDerWaalsContact O-CD2 3.24Å; V828-Y832 WeakPolarHBondContact O-CD2 3.45Å; V828-Y832 PolarHBondContact O-N 2.89Å
829F91Very high90.8Very high3 Ų326.5 Ų26.51%0.01314%0.139CC..Hα-helixtrans-55.3-49.6172169.8-92.6000111.9I700 I701 V704 I705 L708 F815 A825 V826 L831 Y832 A833 V1311 V1315I700-F829 HydrophobicContact CG2-CD2 4.43Å; I701-F829 HydrophobicContact CG1-CB 4.19Å; I701-F829 HydrophobicContact CG1-CD2 4.24Å; V704-F829 HydrophobicContact CB-CE2 3.88Å; V704-F829 HydrophobicContact CG1-CE2 3.54Å; V704-F829 HydrophobicContact CG1-CZ 3.87Å; I705-F829 HydrophobicContact CD1-CD2 4.12Å; I705-F829 HydrophobicContact CD1-CE2 4.17Å; I705-F829 HydrophobicContact CG1-CD2 3.93Å; I705-F829 HydrophobicContact CG1-CE2 3.59Å; I705-F829 HydrophobicContact CG1-CZ 4.48Å; L708-F829 HydrophobicContact CD1-CZ 4.07Å; F815-F829 HydrophobicContact CD1-CE1 4.46Å; F815-F829 HydrophobicContact CE1-CE1 4.1Å; A825-F829 WeakPolarHBondContact O-CB 3.3Å; A825-F829 PolarHBondContact O-N 2.64Å; V826-F829 PolarHBondContact O-N 2.94Å; F829-L831 PolarHBondContact O-N 3.01Å; F829-Y832 PolarHBondContact O-N 3.21Å; F829-A833 HydrophobicContact CE1-CB 4.31Å; F829-A833 HydrophobicContact CZ-CB 4.32Å; F829-A833 VanDerWaalsContact O-CB 3.32Å; F829-A833 WeakPolarHBondContact O-CB 3.29Å; F829-A833 PolarHBondContact O-N 2.8Å; F829-V1311 HydrophobicContact CD1-CG1 3.72Å; F829-V1311 HydrophobicContact CD1-CG2 4.14Å; F829-V1311 HydrophobicContact CD2-CG1 4.33Å; F829-V1311 HydrophobicContact CE1-CG1 3.58Å; F829-V1311 HydrophobicContact CE2-CG1 4.19Å; F829-V1311 HydrophobicContact CG-CG1 4.11Å; F829-V1311 HydrophobicContact CG-CG2 4.44Å; F829-V1311 HydrophobicContact CZ-CG1 3.83Å; F829-V1315 HydrophobicContact CE1-CG2 3.92Å; F829-V1315 HydrophobicContact CZ-CG2 3.73Å
830A92.1Very high91Very high2 Ų226 Ų262%0.01713%0.134CC..Hα-helixtrans-64.3-39.3-176.700000112.4F815 A819 V826 R827 V828 A833 A834F815-A830 WeakPolarHBondContact O-CB 3.45Å; A819-A830 HydrophobicContact CB-CB 4.3Å; V826-A830 VanDerWaalsContact O-CB 3.31Å; V826-A830 WeakPolarHBondContact O-CB 3.33Å; V826-A830 PolarHBondContact O-N 3.03Å; R827-A830 PolarHBondContact O-N 2.96Å; V828-A830 VanDerWaalsContact C-N 3.35Å; V828-A830 PolarHBondContact O-N 3.33Å; A830-A833 PolarHBondContact O-N 3.07Å; A830-A834 VanDerWaalsContact O-CB 3.29Å; A830-A834 WeakPolarHBondContact O-CB 3.47Å; A830-A834 PolarHBondContact O-N 3.3Å
831L93.9Very high91.3Very high32 Ų3221.8 Ų21.817%0.16811%0.112CC..Hα-helixtrans-63.6-43.8173.9-73173.1000113.1W690 L695 F816 A819 R827 V828 F829 M835W690-L831 HydrophobicContact CH2-CB 4.36Å; W690-L831 HydrophobicContact CH2-CD2 4.08Å; W690-L831 HydrophobicContact CZ2-CB 3.76Å; W690-L831 HydrophobicContact CZ2-CD2 4.07Å; W690-L831 HydrophobicContact CZ2-CG 4.39Å; W690-L831 PolarHBondContact NE1-O 3.36Å; L695-L831 HydrophobicContact CD1-CD1 4.38Å; F816-L831 HydrophobicContact CD1-CD2 4.36Å; F816-L831 HydrophobicContact CE1-CD2 4.43Å; A819-L831 HydrophobicContact CB-CD2 3.66Å; A819-L831 HydrophobicContact CB-CG 3.75Å; R827-L831 HydrophobicContact CG-CD1 4.43Å; R827-L831 WeakPolarHBondContact O-CG 3.2Å; R827-L831 PolarHBondContact O-N 2.84Å; R827-L831 VanDerWaalsContact O-N 3.11Å; V828-L831 PolarHBondContact O-N 3.12Å; F829-L831 PolarHBondContact O-N 3.01Å; L831-M835 PolarHBondContact O-N 2.63Å
832Y94.7Very high91.7Very high1 Ų124.8 Ų24.80%0.00413%0.127CC..Hα-helixtrans-68.1-38.8176.8-83.4-121.3000111.4S686 V687 W690 L695 I697 I701 V828 F829 A836S686-Y832 PolarHBondContact OG-O 2.95Å; V687-Y832 HydrophobicContact CB-CE1 4.2Å; V687-Y832 HydrophobicContact CG1-CE1 4.25Å; V687-Y832 HydrophobicContact CG2-CD1 3.94Å; V687-Y832 HydrophobicContact CG2-CE1 3.95Å; W690-Y832 HydrophobicContact CB-CD2 4.13Å; W690-Y832 HydrophobicContact CB-CE1 4.03Å; W690-Y832 HydrophobicContact CB-CE2 3.46Å; W690-Y832 VanDerWaalsContact CB-CE2 3.46Å; W690-Y832 VanDerWaalsContact CB-CZ 3.41Å; W690-Y832 AromaticContact CD1-CD1 3.99Å; W690-Y832 AromaticContact CD1-CD2 3.42Å; W690-Y832 VanDerWaalsContact CD1-CD2 3.42Å; W690-Y832 AromaticContact CD1-CE2 3.71Å; W690-Y832 AromaticContact CD1-CG 3.58Å; W690-Y832 AromaticContact CG-CD2 3.8Å; W690-Y832 HydrophobicContact CG-CD2 3.8Å; W690-Y832 AromaticContact CG-CE2 3.63Å; W690-Y832 HydrophobicContact CG-CE2 3.63Å; W690-Y832 HydrophobicContact CG-CG 4.33Å; W690-Y832 AromaticContact NE1-CD2 3.97Å; L695-Y832 HydrophobicContact CB-CE2 4.39Å; L695-Y832 PolarHBondContact O-OH 2.85Å; I697-Y832 HydrophobicContact CB-CE1 4.47Å; I697-Y832 HydrophobicContact CD1-CE1 4.37Å; I697-Y832 HydrophobicContact CG1-CE1 4.29Å; I701-Y832 HydrophobicContact CD1-CD1 4.46Å; I701-Y832 HydrophobicContact CD1-CD2 4.17Å; I701-Y832 HydrophobicContact CD1-CE2 4.5Å; I701-Y832 HydrophobicContact CD1-CG 4.14Å; I701-Y832 HydrophobicContact CG2-CD1 3.63Å; I701-Y832 HydrophobicContact CG2-CE1 4.19Å; I701-Y832 HydrophobicContact CG2-CG 4.11Å; V828-Y832 HydrophobicContact CG1-CD2 3.76Å; V828-Y832 HydrophobicContact CG1-CE2 3.53Å; V828-Y832 VanDerWaalsContact O-CD2 3.24Å; V828-Y832 WeakPolarHBondContact O-CD2 3.45Å; V828-Y832 PolarHBondContact O-N 2.89Å; F829-Y832 PolarHBondContact O-N 3.21Å; Y832-A836 VanDerWaalsContact O-CB 3.26Å; Y832-A836 WeakPolarHBondContact O-CB 3.36Å; Y832-A836 PolarHBondContact O-N 2.87Å
833A93.6Very high92.3Very high0 Ų021.1 Ų21.10%010%0.104CC..Hα-helixtrans-67.6-48.4179.800000111.4I705 F815 F829 A830 M835 A836 I837I705-A833 HydrophobicContact CD1-CB 4.08Å; F815-A833 HydrophobicContact CD1-CB 4.13Å; F815-A833 HydrophobicContact CE1-CB 4.49Å; F815-A833 HydrophobicContact CG-CB 4.18Å; F829-A833 HydrophobicContact CE1-CB 4.31Å; F829-A833 HydrophobicContact CZ-CB 4.32Å; F829-A833 VanDerWaalsContact O-CB 3.32Å; F829-A833 WeakPolarHBondContact O-CB 3.29Å; F829-A833 PolarHBondContact O-N 2.8Å; A830-A833 PolarHBondContact O-N 3.07Å; A833-M835 VanDerWaalsContact C-N 3.32Å; A833-M835 PolarHBondContact O-N 3.14Å; A833-A836 PolarHBondContact O-N 2.77Å; A833-I837 VanDerWaalsContact O-CG1 3.31Å; A833-I837 WeakPolarHBondContact O-CG1 3.23Å; A833-I837 PolarHBondContact O-N 3.41Å
834A94.9Very high92.9Very high0 Ų020.7 Ų20.70%010%0.102CC..Hα-helixtrans-56.7-43.8177.700000112.4S812 F815 F816 A830 V838S812-A834 PolarHBondContact OG-O 2.77Å; F815-A834 HydrophobicContact CB-CB 3.76Å; F816-A834 HydrophobicContact CD1-CB 3.81Å; F816-A834 HydrophobicContact CD2-CB 3.69Å; F816-A834 HydrophobicContact CE1-CB 3.8Å; F816-A834 HydrophobicContact CE2-CB 3.69Å; F816-A834 HydrophobicContact CG-CB 3.75Å; F816-A834 HydrophobicContact CZ-CB 3.74Å; A830-A834 VanDerWaalsContact O-CB 3.29Å; A830-A834 WeakPolarHBondContact O-CB 3.47Å; A830-A834 PolarHBondContact O-N 3.3Å; A834-V838 WeakPolarHBondContact O-CG2 3.34Å; A834-V838 PolarHBondContact O-N 2.9Å
835M95.3Very high93.2Very high26 Ų2620 Ų2013%0.12810%0.097CC..Hα-helixtrans-71.2-36.9176.4-74.9-58-57.400113.2S686 F689 W690 F816 L831 A833 I837 V838 F839S686-M835 WeakPolarHBondContact OG-CB 3.18Å; F689-M835 HydrophobicContact CD1-CE 4.09Å; F689-M835 HydrophobicContact CD1-CG 4.41Å; F689-M835 HydrophobicContact CE1-CE 4.06Å; F689-M835 HydrophobicContact CE1-CG 4.4Å; F689-M835 HydrophobicContact CE1-SD 4.45Å; F689-M835 HydrophobicContact CG-CE 4.48Å; F689-M835 HydrophobicContact CZ-CE 4.41Å; W690-M835 HydrophobicContact CZ2-CG 3.59Å; F816-M835 HydrophobicContact CZ-CG 4.25Å; F816-M835 HydrophobicContact CZ-SD 3.82Å; L831-M835 PolarHBondContact O-N 2.63Å; A833-M835 VanDerWaalsContact C-N 3.32Å; A833-M835 PolarHBondContact O-N 3.14Å; M835-I837 VanDerWaalsContact C-N 3.34Å; M835-V838 PolarHBondContact O-N 3.48Å; M835-F839 HydrophobicContact CE-CD2 4.44Å; M835-F839 HydrophobicContact CE-CE1 3.78Å; M835-F839 HydrophobicContact CE-CE2 3.68Å; M835-F839 HydrophobicContact CE-CZ 3.3Å; M835-F839 WeakPolarHBondContact O-CD2 3.43Å; M835-F839 WeakPolarHBondContact O-CG 3.48Å; M835-F839 PolarHBondContact O-N 2.85Å
836A96Very high93.8Very high0 Ų023.7 Ų23.70%011%0.112CC..Hα-helixtrans-68-34.8178.200000112S686 I705 V709 Y832 A833 N840S686-A836 PolarHBondContact OG-N 2.87Å; I705-A836 HydrophobicContact CG2-CB 3.89Å; V709-A836 HydrophobicContact CG2-CB 3.72Å; Y832-A836 VanDerWaalsContact O-CB 3.26Å; Y832-A836 WeakPolarHBondContact O-CB 3.36Å; Y832-A836 PolarHBondContact O-N 2.87Å; A833-A836 PolarHBondContact O-N 2.77Å; A836-N840 WeakPolarHBondContact O-CB 3.42Å; A836-N840 PolarHBondContact O-N 3.48Å
837I95.4Very high94.3Very high1 Ų123.8 Ų23.81%0.00511%0.113CC..Hα-helixtrans-66-44.7172.3-64.6165.7000110.7L708 I712 S808 E811 F815 A833 M835 N840 F841L708-I837 HydrophobicContact CD2-CD1 4.1Å; L708-I837 HydrophobicContact CD2-CG1 4.18Å; I712-I837 HydrophobicContact CD1-CD1 4.05Å; I712-I837 HydrophobicContact CD1-CG1 4.02Å; S808-I837 WeakPolarHBondContact O-CG2 3.31Å; E811-I837 HydrophobicContact CB-CD1 4Å; F815-I837 HydrophobicContact CD2-CD1 3.45Å; F815-I837 VanDerWaalsContact CD2-CD1 3.45Å; F815-I837 HydrophobicContact CE2-CD1 3.57Å; A833-I837 VanDerWaalsContact O-CG1 3.31Å; A833-I837 WeakPolarHBondContact O-CG1 3.23Å; A833-I837 PolarHBondContact O-N 3.41Å; M835-I837 VanDerWaalsContact C-N 3.34Å; I837-N840 PolarHBondContact O-N 2.86Å; I837-F841 WeakPolarHBondContact O-CB 3.4Å; I837-F841 PolarHBondContact O-N 3.44Å
838V95.6Very high94.6Very high47 Ų4717.4 Ų17.429%0.2859%0.089SC..Hα-helixtrans-60-48.7175.9169.50000111.3S812 A834 M835 N840 F841 L842S812-V838 VanDerWaalsContact OG-CG2 3.24Å; S812-V838 WeakPolarHBondContact OG-CG2 3.47Å; A834-V838 WeakPolarHBondContact O-CG2 3.34Å; A834-V838 PolarHBondContact O-N 2.9Å; M835-V838 PolarHBondContact O-N 3.48Å; V838-N840 VanDerWaalsContact C-N 3.34Å; V838-N840 PolarHBondContact O-N 3.23Å; V838-F841 PolarHBondContact O-N 2.86Å; V838-L842 HydrophobicContact CG1-CD1 3.88Å; V838-L842 WeakPolarHBondContact O-CB 3.41Å; V838-L842 VanDerWaalsContact O-CG 3.27Å; V838-L842 WeakPolarHBondContact O-CG 3.3Å; V838-L842 PolarHBondContact O-N 3.45Å
839F96.1Very high94.7Very high25 Ų2516.2 Ų16.211%0.118%0.082CC..Hα-helixtrans-66.5-34.7177-66.5-33.1000112.4L371 A685 F689 M835 L842 L843L371-F839 HydrophobicContact CD1-CD1 4.22Å; L371-F839 HydrophobicContact CD1-CE1 3.77Å; L371-F839 HydrophobicContact CD1-CE2 4.13Å; L371-F839 HydrophobicContact CD1-CZ 3.71Å; L371-F839 HydrophobicContact CD2-CZ 4.03Å; L371-F839 HydrophobicContact CG-CZ 4.5Å; A685-F839 HydrophobicContact CB-CD2 3.88Å; A685-F839 HydrophobicContact CB-CE2 4.28Å; A685-F839 HydrophobicContact CB-CG 4.42Å; F689-F839 HydrophobicContact CB-CE2 4.03Å; F689-F839 HydrophobicContact CB-CZ 4.33Å; F689-F839 HydrophobicContact CD2-CZ 4.46Å; F689-F839 HydrophobicContact CG-CE2 4.4Å; F689-F839 HydrophobicContact CG-CZ 4.33Å; M835-F839 HydrophobicContact CE-CD2 4.44Å; M835-F839 HydrophobicContact CE-CE1 3.78Å; M835-F839 HydrophobicContact CE-CE2 3.68Å; M835-F839 HydrophobicContact CE-CZ 3.3Å; M835-F839 WeakPolarHBondContact O-CD2 3.43Å; M835-F839 WeakPolarHBondContact O-CG 3.48Å; M835-F839 PolarHBondContact O-N 2.85Å; F839-L842 HydrophobicContact CD1-CD1 4.43Å; F839-L842 PolarHBondContact O-N 2.7Å; F839-L843 WeakPolarHBondContact O-CB 3.36Å; F839-L843 VanDerWaalsContact O-CG 3.26Å; F839-L843 WeakPolarHBondContact O-CG 3.47Å; F839-L843 PolarHBondContact O-N 3.26Å
840N95.7Very high94.9Very high0 Ų016.1 Ų16.10%08%0.081CC..Hα-helixtrans-62.1-53.2174.2177.964000110.8S682 V709 G713 A836 I837 V838 L842 L843 Q844S682-N840 VanDerWaalsContact CB-N 3.31Å; V709-N840 HydrophobicContact CG1-CB 3.68Å; G713-N840 WeakPolarHBondContact CA-ND2 3.49Å; A836-N840 WeakPolarHBondContact O-CB 3.42Å; A836-N840 PolarHBondContact O-N 3.48Å; I837-N840 PolarHBondContact O-N 2.86Å; V838-N840 VanDerWaalsContact C-N 3.34Å; V838-N840 PolarHBondContact O-N 3.23Å; N840-L842 VanDerWaalsContact C-N 3.33Å; N840-L842 PolarHBondContact O-N 2.82Å; N840-L843 PolarHBondContact O-N 3.06Å; N840-Q844 PolarHBondContact ND2-OE1 2.95Å; N840-Q844 WeakPolarHBondContact O-CB 3.42Å; N840-Q844 VanDerWaalsContact O-CG 3.24Å; N840-Q844 WeakPolarHBondContact O-CG 3.36Å; N840-Q844 PolarHBondContact O-N 3.49Å
841F95.4Very high95Very high21 Ų2118.2 Ų18.29%0.0929%0.092CC..Hα-helixtrans-55.9-47177172.9-100.2000111.6F346 M804 L805 I837 V838 Q844 I845F346-F841 HydrophobicContact CE1-CZ 4.5Å; F346-F841 HydrophobicContact CZ-CZ 4.33Å; M804-F841 HydrophobicContact CB-CD2 4.46Å; M804-F841 HydrophobicContact CB-CE2 4.14Å; L805-F841 HydrophobicContact CB-CE2 3.99Å; L805-F841 HydrophobicContact CB-CZ 3.89Å; L805-F841 HydrophobicContact CD1-CE1 3.83Å; L805-F841 HydrophobicContact CD1-CE2 4.29Å; L805-F841 HydrophobicContact CD1-CZ 3.6Å; L805-F841 HydrophobicContact CG-CZ 4.29Å; I837-F841 WeakPolarHBondContact O-CB 3.4Å; I837-F841 PolarHBondContact O-N 3.44Å; V838-F841 PolarHBondContact O-N 2.86Å; F841-Q844 PolarHBondContact O-N 3.02Å; F841-I845 HydrophobicContact CD1-CD1 4.47Å; F841-I845 HydrophobicContact CD2-CG2 4.08Å; F841-I845 HydrophobicContact CE1-CD1 3.77Å; F841-I845 HydrophobicContact CE1-CG1 4.49Å; F841-I845 HydrophobicContact CE1-CG2 4.2Å; F841-I845 HydrophobicContact CE2-CG2 3.59Å; F841-I845 HydrophobicContact CZ-CD1 4.04Å; F841-I845 HydrophobicContact CZ-CG2 3.65Å; F841-I845 WeakPolarHBondContact O-CG2 3.37Å; F841-I845 PolarHBondContact O-N 3.44Å
842L95.4Very high94.9Very high66 Ų6616.7 Ų16.735%0.3468%0.084SC..Hα-helixtrans-60.7-49.7177.8-71.9171.5000112.2V838 F839 N840 Q844 I845 F846V838-L842 HydrophobicContact CG1-CD1 3.88Å; V838-L842 WeakPolarHBondContact O-CB 3.41Å; V838-L842 VanDerWaalsContact O-CG 3.27Å; V838-L842 WeakPolarHBondContact O-CG 3.3Å; V838-L842 PolarHBondContact O-N 3.45Å; F839-L842 HydrophobicContact CD1-CD1 4.43Å; F839-L842 PolarHBondContact O-N 2.7Å; N840-L842 VanDerWaalsContact C-N 3.33Å; N840-L842 PolarHBondContact O-N 2.82Å; L842-Q844 PolarHBondContact O-N 3.5Å; L842-I845 HydrophobicContact CD2-CD1 4.43Å; L842-I845 WeakPolarHBondContact O-CG1 3.19Å; L842-I845 PolarHBondContact O-N 3.45Å; L842-F846 HydrophobicContact CD2-CE2 4.24Å; L842-F846 WeakPolarHBondContact O-CB 3.38Å; L842-F846 VanDerWaalsContact O-CD2 3.29Å; L842-F846 WeakPolarHBondContact O-CD2 3.31Å; L842-F846 PolarHBondContact O-N 3.31Å
843L95.5Very high94.7Very high14 Ų1416.7 Ų16.77%0.0738%0.084CC..Hα-helixtrans-66.5-27.3179-65.8180000112.6I368 I678 A681 F839 N840 A847 F848I368-L843 HydrophobicContact CD1-CD1 3.84Å; I368-L843 HydrophobicContact CD1-CD2 3.77Å; I368-L843 HydrophobicContact CD1-CG 4.46Å; I368-L843 HydrophobicContact CG1-CD1 3.79Å; I368-L843 HydrophobicContact CG1-CD2 3.76Å; I368-L843 HydrophobicContact CG1-CG 4.43Å; I678-L843 HydrophobicContact CG2-CB 3.72Å; A681-L843 HydrophobicContact CB-CD1 4.27Å; F839-L843 WeakPolarHBondContact O-CB 3.36Å; F839-L843 VanDerWaalsContact O-CG 3.26Å; F839-L843 WeakPolarHBondContact O-CG 3.47Å; F839-L843 PolarHBondContact O-N 3.26Å; N840-L843 PolarHBondContact O-N 3.06Å; L843-A847 WeakPolarHBondContact O-CA 3.22Å; L843-A847 VanDerWaalsContact O-CB 3.31Å; L843-A847 WeakPolarHBondContact O-CB 3.13Å; L843-A847 PolarHBondContact O-N 3.32Å; L843-F848 PolarHBondContact O-N 2.93Å
844Q94.9Very high94.6Very high1 Ų119.5 Ų19.51%0.00510%0.099CC..Iπ-helixtrans-68.5-54.9171-73.4-179.5-20.100111.8I678 G713 N716 M804 N840 F841 L842 F846 F848 V849I678-Q844 HydrophobicContact CG2-CG 4.34Å; G713-Q844 VanDerWaalsContact C-NE2 3.33Å; G713-Q844 PolarHBondContact O-NE2 3.01Å; N716-Q844 PolarHBondContact ND2-OE1 2.93Å; N716-Q844 VanDerWaalsContact ND2-OE1 3.09Å; M804-Q844 HydrophobicContact CE-CB 4.08Å; N840-Q844 PolarHBondContact ND2-OE1 2.95Å; N840-Q844 WeakPolarHBondContact O-CB 3.42Å; N840-Q844 VanDerWaalsContact O-CG 3.24Å; N840-Q844 WeakPolarHBondContact O-CG 3.36Å; N840-Q844 PolarHBondContact O-N 3.49Å; F841-Q844 PolarHBondContact O-N 3.02Å; L842-Q844 PolarHBondContact O-N 3.5Å; Q844-F846 PolarHBondContact O-N 2.91Å; Q844-F848 WeakPolarHBondContact O-CB 3.39Å; Q844-F848 PolarHBondContact O-N 3.43Å; Q844-V849 PolarHBondContact O-N 3.42Å
845I94.1Very high94.3Very high14 Ų1419.9 Ų19.97%0.07210%0.101CC..Iπ-helixtrans-67.7-17.2-177.272.4168.3000113.5H349 I353 M797 M804 F841 L842H349-I845 PolarHBondContact NE2-O 3.12Å; I353-I845 WeakPolarHBondContact CD1-O 3.22Å; M797-I845 HydrophobicContact CE-CB 3.82Å; M797-I845 HydrophobicContact CE-CG2 3.62Å; M804-I845 HydrophobicContact CE-CG2 4.49Å; F841-I845 HydrophobicContact CD1-CD1 4.47Å; F841-I845 HydrophobicContact CD2-CG2 4.08Å; F841-I845 HydrophobicContact CE1-CD1 3.77Å; F841-I845 HydrophobicContact CE1-CG1 4.49Å; F841-I845 HydrophobicContact CE1-CG2 4.2Å; F841-I845 HydrophobicContact CE2-CG2 3.59Å; F841-I845 HydrophobicContact CZ-CD1 4.04Å; F841-I845 HydrophobicContact CZ-CG2 3.65Å; F841-I845 WeakPolarHBondContact O-CG2 3.37Å; F841-I845 PolarHBondContact O-N 3.44Å; L842-I845 HydrophobicContact CD2-CD1 4.43Å; L842-I845 WeakPolarHBondContact O-CG1 3.19Å; L842-I845 PolarHBondContact O-N 3.45Å
846F95.4Very high93.8Very high82 Ų8218.8 Ų18.836%0.3610%0.096SC..Iπ-helixtrans-104.8-70.3175.4-73.6-72.1000113.1H349 I353 V360 L842 Q844 A850H349-F846 AromaticContact CE1-CE1 3.57Å; H349-F846 AromaticContact CE1-CZ 3.76Å; I353-F846 HydrophobicContact CD1-CD1 3.89Å; I353-F846 HydrophobicContact CD1-CE1 4.46Å; I353-F846 HydrophobicContact CG1-CD1 4.43Å; V360-F846 HydrophobicContact CG1-CB 4.01Å; V360-F846 HydrophobicContact CG1-CD1 4.21Å; L842-F846 HydrophobicContact CD2-CE2 4.24Å; L842-F846 WeakPolarHBondContact O-CB 3.38Å; L842-F846 VanDerWaalsContact O-CD2 3.29Å; L842-F846 WeakPolarHBondContact O-CD2 3.31Å; L842-F846 PolarHBondContact O-N 3.31Å; Q844-F846 PolarHBondContact O-N 2.91Å; F846-A850 WeakPolarHBondContact O-CB 3.39Å; F846-A850 PolarHBondContact O-N 3.24Å; F846-A850 VanDerWaalsContact O-N 3.13Å
847A95Very high93.2Very high4 Ų421.5 Ų21.53%0.03311%0.106CC..Iπ-helixtrans-73.7-42.5-171.200000112.7L361 I678 L843 A850 L851L361-A847 HydrophobicContact CD2-CB 3.94Å; I678-A847 HydrophobicContact CD1-CB 3.81Å; I678-A847 HydrophobicContact CG1-CB 4.46Å; L843-A847 WeakPolarHBondContact O-CA 3.22Å; L843-A847 VanDerWaalsContact O-CB 3.31Å; L843-A847 WeakPolarHBondContact O-CB 3.13Å; L843-A847 PolarHBondContact O-N 3.32Å; A847-A850 WeakPolarHBondContact O-CB 3.41Å; A847-A850 PolarHBondContact O-N 2.97Å; A847-L851 WeakPolarHBondContact O-CD1 3.29Å; A847-L851 WeakPolarHBondContact O-CG 3.32Å; A847-L851 PolarHBondContact O-N 2.92Å
848F94.8Very high92.8Very high1 Ų122.8 Ų22.80%0.00411%0.111CC..Iπ-helixtrans-68.5-39.5179.4-170.4-96.4000112L671 I678 I717 L720 V721 L843 Q844 A850 L851 L852L671-F848 HydrophobicContact CD1-CD2 4.35Å; L671-F848 HydrophobicContact CD1-CE2 3.63Å; L671-F848 HydrophobicContact CD1-CZ 3.78Å; L671-F848 HydrophobicContact CD2-CZ 4.07Å; L671-F848 HydrophobicContact CG-CE2 3.82Å; L671-F848 HydrophobicContact CG-CZ 3.8Å; I678-F848 HydrophobicContact CD1-CB 3.9Å; I678-F848 HydrophobicContact CD1-CD2 4.37Å; I717-F848 HydrophobicContact CB-CE1 4.42Å; I717-F848 HydrophobicContact CB-CZ 4.28Å; I717-F848 HydrophobicContact CD1-CD2 4.17Å; I717-F848 HydrophobicContact CD1-CE2 4.19Å; I717-F848 HydrophobicContact CG1-CD1 4.12Å; I717-F848 HydrophobicContact CG1-CD2 4.15Å; I717-F848 HydrophobicContact CG1-CE1 4.04Å; I717-F848 HydrophobicContact CG1-CE2 4.06Å; I717-F848 HydrophobicContact CG1-CG 4.19Å; I717-F848 HydrophobicContact CG1-CZ 4.01Å; I717-F848 HydrophobicContact CG2-CE1 4.12Å; I717-F848 HydrophobicContact CG2-CE2 4.02Å; I717-F848 HydrophobicContact CG2-CZ 3.58Å; L720-F848 HydrophobicContact CD2-CD1 4.08Å; L720-F848 HydrophobicContact CD2-CE1 4.35Å; V721-F848 HydrophobicContact CG2-CE1 3.93Å; V721-F848 HydrophobicContact CG2-CZ 3.87Å; L843-F848 PolarHBondContact O-N 2.93Å; Q844-F848 WeakPolarHBondContact O-CB 3.39Å; Q844-F848 PolarHBondContact O-N 3.43Å; F848-A850 VanDerWaalsContact C-N 3.31Å; F848-A850 PolarHBondContact O-N 2.63Å; F848-L851 PolarHBondContact O-N 2.95Å; F848-L852 WeakPolarHBondContact O-CB 3.34Å; F848-L852 PolarHBondContact O-N 2.97Å
849V94.9Very high92.1Very high1 Ų123 Ų231%0.00611%0.107CC..Hα-helixtrans-60.4-39.6171.9175.60000111.8I353 L720 I793 M797 Q844 L852 T853I353-V849 HydrophobicContact CB-CG1 4.13Å; I353-V849 HydrophobicContact CD1-CB 4.41Å; I353-V849 HydrophobicContact CD1-CG1 4.29Å; I353-V849 HydrophobicContact CG2-CB 4.21Å; I353-V849 HydrophobicContact CG2-CG1 3.81Å; L720-V849 HydrophobicContact CD2-CG2 4.12Å; I793-V849 HydrophobicContact CG2-CG1 3.66Å; M797-V849 HydrophobicContact CE-CG2 4.4Å; M797-V849 HydrophobicContact SD-CG2 3.78Å; Q844-V849 PolarHBondContact O-N 3.42Å; V849-L852 PolarHBondContact O-N 2.94Å; V849-T853 PolarHBondContact O-N 3.14Å; V849-T853 PolarHBondContact O-OG1 2.91Å
850A94.7Very high91.1Very high0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-65.5-41175.100000112.6I353 P357 V360 L361 F846 A847 F848 T853 L854I353-A850 HydrophobicContact CG2-CB 3.79Å; P357-A850 HydrophobicContact CB-CB 3.75Å; V360-A850 HydrophobicContact CB-CB 4.31Å; V360-A850 HydrophobicContact CG1-CB 4.22Å; L361-A850 HydrophobicContact CD1-CB 4.18Å; L361-A850 HydrophobicContact CD2-CB 4.14Å; L361-A850 HydrophobicContact CG-CB 3.79Å; F846-A850 WeakPolarHBondContact O-CB 3.39Å; F846-A850 PolarHBondContact O-N 3.24Å; F846-A850 VanDerWaalsContact O-N 3.13Å; A847-A850 WeakPolarHBondContact O-CB 3.41Å; A847-A850 PolarHBondContact O-N 2.97Å; F848-A850 VanDerWaalsContact C-N 3.31Å; F848-A850 PolarHBondContact O-N 2.63Å; A850-T853 WeakPolarHBondContact O-CB 3.29Å; A850-T853 PolarHBondContact O-N 3.44Å; A850-L854 WeakPolarHBondContact O-CG 3.37Å; A850-L854 PolarHBondContact O-N 2.82Å; A850-L854 VanDerWaalsContact O-N 3.16Å
851L93.3Very high90Very high46 Ų4625.3 Ų25.324%0.24113%0.126CC..Hα-helixtrans-66.6-43.1174.5-74.3157.5000112.3L361 L671 A674 I678 A847 F848 T853 L854 D855L361-L851 HydrophobicContact CD1-CD2 4.23Å; L361-L851 HydrophobicContact CD1-CG 4.29Å; L361-L851 HydrophobicContact CD2-CD1 4.25Å; L361-L851 HydrophobicContact CD2-CD2 4.45Å; L361-L851 HydrophobicContact CD2-CG 3.93Å; L671-L851 HydrophobicContact CD1-CB 4.08Å; A674-L851 HydrophobicContact CB-CD1 3.71Å; A674-L851 HydrophobicContact CB-CD2 4.41Å; I678-L851 HydrophobicContact CD1-CD1 3.73Å; A847-L851 WeakPolarHBondContact O-CD1 3.29Å; A847-L851 WeakPolarHBondContact O-CG 3.32Å; A847-L851 PolarHBondContact O-N 2.92Å; F848-L851 PolarHBondContact O-N 2.95Å; L851-T853 VanDerWaalsContact C-N 3.25Å; L851-T853 PolarHBondContact O-N 2.98Å; L851-L854 CarbonylContact O-C 3.52Å; L851-L854 PolarHBondContact O-N 3.43Å; L851-D855 PolarHBondContact O-N 3.04Å
852L92.1Very high89Confident1 Ų130 Ų301%0.00514%0.143CC..Hα-helixtrans-61.1-35.1175.6-175.962.8000111.6L671 L720 V721 F724 I793 F848 V849 G856L671-L852 HydrophobicContact CD1-CB 4.48Å; L671-L852 HydrophobicContact CD2-CD1 3.81Å; L720-L852 HydrophobicContact CD2-CD2 4.37Å; L720-L852 HydrophobicContact CG-CD2 4.18Å; V721-L852 HydrophobicContact CG2-CD1 4.15Å; F724-L852 HydrophobicContact CB-CD2 4.3Å; F724-L852 HydrophobicContact CD1-CD1 3.9Å; F724-L852 HydrophobicContact CD1-CG 4.36Å; F724-L852 HydrophobicContact CE1-CD1 4.15Å; F724-L852 HydrophobicContact CG-CD1 4.36Å; F724-L852 HydrophobicContact CG-CD2 4.24Å; F724-L852 HydrophobicContact CG-CG 4.42Å; I793-L852 HydrophobicContact CD1-CB 4.19Å; I793-L852 HydrophobicContact CD1-CD2 3.81Å; I793-L852 HydrophobicContact CD1-CG 3.72Å; F848-L852 WeakPolarHBondContact O-CB 3.34Å; F848-L852 PolarHBondContact O-N 2.97Å; V849-L852 PolarHBondContact O-N 2.94Å; L852-G856 PolarHBondContact O-N 3.09Å
853T91.6Very high88.2Confident0 Ų032.9 Ų32.90%015%0.15CC..Hα-helixtrans-63.2-43.2170.9-55.30000111.6A354 P357 V789 V849 A850 L851 R857A354-T853 HydrophobicContact CB-CG2 3.87Å; P357-T853 HydrophobicContact CB-CG2 4.48Å; P357-T853 HydrophobicContact CG-CG2 4.16Å; V789-T853 HydrophobicContact CG1-CG2 4.08Å; V849-T853 PolarHBondContact O-N 3.14Å; V849-T853 PolarHBondContact O-OG1 2.91Å; A850-T853 WeakPolarHBondContact O-CB 3.29Å; A850-T853 PolarHBondContact O-N 3.44Å; L851-T853 VanDerWaalsContact C-N 3.25Å; L851-T853 PolarHBondContact O-N 2.98Å; T853-R857 WeakPolarHBondContact O-CG 3.35Å; T853-R857 PolarHBondContact O-N 3.43Å
854L90.4Very high87.5Confident60 Ų6034.2 Ų34.231%0.31416%0.155SC..Hα-helixtrans-71.3-40.6180-68.6173.6000112.2P357 I358 L361 A850 L851 R857 R858P357-L854 HydrophobicContact CB-CG 4.26Å; P357-L854 HydrophobicContact CG-CD2 4.02Å; P357-L854 HydrophobicContact CG-CG 4.26Å; I358-L854 HydrophobicContact CG1-CD2 4.48Å; L361-L854 HydrophobicContact CD1-CD1 3.68Å; A850-L854 WeakPolarHBondContact O-CG 3.37Å; A850-L854 PolarHBondContact O-N 2.82Å; A850-L854 VanDerWaalsContact O-N 3.16Å; L851-L854 CarbonylContact O-C 3.52Å; L851-L854 PolarHBondContact O-N 3.43Å; L854-R857 PolarHBondContact O-N 3.48Å; L854-R858 PolarHBondContact O-N 2.64Å
855D88.7Confident86.7Confident8 Ų834.6 Ų34.64%0.04316%0.157CC..Hα-helixtrans-63.7-42.5171.6179.145.6000111.5R668 L851 R857 R858 Y859R668-D855 IonicContact CZ-OD2 2.7Å; R668-D855 IonicContact NH1-OD2 3.2Å; R668-D855 PolarHBondContact NH1-OD2 2.86Å; L851-D855 PolarHBondContact O-N 3.04Å; D855-R857 VanDerWaalsContact C-N 3.29Å; D855-R857 PolarHBondContact O-N 3.01Å; D855-R858 WeakPolarHBondContact O-CB 3.21Å; D855-R858 PolarHBondContact O-N 3.4Å; D855-R858 VanDerWaalsContact O-N 3.11Å; D855-R858 IonicContact OD1-CZ 2.75Å; D855-R858 IonicContact OD1-NE 2.74Å; D855-R858 PolarHBondContact OD1-NE 3.03Å; D855-R858 IonicContact OD1-NH2 3.18Å; D855-R858 PolarHBondContact OD1-NH2 2.83Å; D855-Y859 WeakPolarHBondContact O-CB 3.22Å; D855-Y859 PolarHBondContact O-N 2.83Å
856G84.1Confident85.7Confident3 Ų338.2 Ų38.23%0.03118%0.179CC..Hα-helixtrans-55.7-42.8172.400000112.6L852 V860L852-G856 PolarHBondContact O-N 3.09Å; G856-V860 WeakPolarHBondContact O-CG2 3.4Å; G856-V860 PolarHBondContact O-N 2.68Å
857R85.2Confident84.6Confident56 Ų5639 Ų3921%0.21119%0.187CC..Hα-helixtrans-68.5-39.9174.2-70.9174.2-178.5156.34.8112.3A354 V789 E790 T853 L854 D855 A861A354-R857 PolarHBondContact O-NH2 3.29Å; V789-R857 HydrophobicContact CB-CG 4.34Å; V789-R857 HydrophobicContact CG1-CG 4.35Å; V789-R857 HydrophobicContact CG2-CG 4.22Å; E790-R857 IonicContact OE1-CZ 2.74Å; E790-R857 IonicContact OE1-NH2 3.98Å; E790-R857 PolarHBondContact OE1-NH2 3.44Å; T853-R857 WeakPolarHBondContact O-CG 3.35Å; T853-R857 PolarHBondContact O-N 3.43Å; L854-R857 PolarHBondContact O-N 3.48Å; D855-R857 VanDerWaalsContact C-N 3.29Å; D855-R857 PolarHBondContact O-N 3.01Å; R857-A861 VanDerWaalsContact O-CB 3.25Å; R857-A861 WeakPolarHBondContact O-CB 3.44Å; R857-A861 PolarHBondContact O-N 3.29Å
858R86Confident83.3Confident28 Ų2845.2 Ų45.211%0.10621%0.213CC..Hα-helixtrans-59.7-49.9173.9177.4-150.660.997.1-13111.7V665 L854 D855 A861 R862 R863 D865V665-R858 PolarHBondContact O-NH1 3.24Å; V665-R858 PolarHBondContact O-NH2 3.46Å; V665-R858 VanDerWaalsContact O-NH2 3.08Å; L854-R858 PolarHBondContact O-N 2.64Å; D855-R858 WeakPolarHBondContact O-CB 3.21Å; D855-R858 PolarHBondContact O-N 3.4Å; D855-R858 VanDerWaalsContact O-N 3.11Å; D855-R858 IonicContact OD1-CZ 2.75Å; D855-R858 IonicContact OD1-NE 2.74Å; D855-R858 PolarHBondContact OD1-NE 3.03Å; D855-R858 IonicContact OD1-NH2 3.18Å; D855-R858 PolarHBondContact OD1-NH2 2.83Å; R858-A861 CarbonylContact O-C 3.54Å; R858-A861 WeakPolarHBondContact O-CA 3.35Å; R858-A861 WeakPolarHBondContact O-CB 3.38Å; R858-A861 PolarHBondContact O-N 2.94Å; R858-A861 VanDerWaalsContact O-N 3.16Å; R858-R862 PolarHBondContact O-N 2.79Å; R858-R862 VanDerWaalsContact O-N 3.16Å; R858-R863 HydrophobicContact CG-CB 3.99Å; R858-R863 PolarHBondContact NH1-O 3.06Å; R858-R863 PolarHBondContact O-N 2.83Å; R858-D865 IonicContact NE-OD1 3.87Å
859Y80.1Confident82Confident51 Ų5150 Ų5020%0.225%0.246CC..Hα-helixtrans-60.3-50.1-177.2-176.2-106.2000111.1V665 D666 H728 D855 A861 R862V665-Y859 HydrophobicContact CG1-CD2 3.99Å; V665-Y859 HydrophobicContact CG1-CE2 4.13Å; D666-Y859 WeakPolarHBondContact OD1-CE2 2.98Å; D666-Y859 PolarHBondContact OD1-OH 2.72Å; D666-Y859 VanDerWaalsContact OD1-OH 3.12Å; H728-Y859 AromaticContact CE1-CE1 3.82Å; D855-Y859 WeakPolarHBondContact O-CB 3.22Å; D855-Y859 PolarHBondContact O-N 2.83Å; Y859-A861 VanDerWaalsContact C-N 3.26Å; Y859-A861 PolarHBondContact O-N 2.71Å; Y859-R862 PolarHBondContact O-N 2.71Å
860V76.5Confident80.8Confident48 Ų4855.9 Ų55.929%0.29127%0.272SS..Hα-helixtrans-64.5-31.6176.51800000111.7I785 V789 G856 R862I785-V860 HydrophobicContact CB-CG1 4.26Å; I785-V860 HydrophobicContact CD1-CG1 4.01Å; I785-V860 HydrophobicContact CG1-CG1 3.77Å; I785-V860 HydrophobicContact CG2-CB 3.98Å; I785-V860 HydrophobicContact CG2-CG1 3.67Å; V789-V860 HydrophobicContact CG2-CG2 4.48Å; G856-V860 WeakPolarHBondContact O-CG2 3.4Å; G856-V860 PolarHBondContact O-N 2.68Å; V860-R862 PolarHBondContact O-N 3.49Å
861A72.4Confident79.6Confident27 Ų2762.2 Ų62.222%0.22330%0.299CS..THydrogen-bonded Turntrans-74.8-2.1172.800000115R857 R858 Y859 R863 K871R857-A861 VanDerWaalsContact O-CB 3.25Å; R857-A861 WeakPolarHBondContact O-CB 3.44Å; R857-A861 PolarHBondContact O-N 3.29Å; R858-A861 CarbonylContact O-C 3.54Å; R858-A861 WeakPolarHBondContact O-CA 3.35Å; R858-A861 WeakPolarHBondContact O-CB 3.38Å; R858-A861 PolarHBondContact O-N 2.94Å; R858-A861 VanDerWaalsContact O-N 3.16Å; Y859-A861 VanDerWaalsContact C-N 3.26Å; Y859-A861 PolarHBondContact O-N 2.71Å; A861-R863 VanDerWaalsContact C-N 3.29Å; A861-R863 HydrophobicContact CB-CG 4.27Å; A861-R863 PolarHBondContact O-N 3.24Å; A861-K871 VanDerWaalsContact O-CE 3.31Å; A861-K871 WeakPolarHBondContact O-CE 3.3Å
862R73.8Confident78.3Confident118 Ų11863.3 Ų63.345%0.44531%0.305SS..THydrogen-bonded Turntrans51.839.6-177.1-63.8-173.6176.6169.31.6114.4R858 Y859 V860 K871 L872 H874R858-R862 PolarHBondContact O-N 2.79Å; R858-R862 VanDerWaalsContact O-N 3.16Å; Y859-R862 PolarHBondContact O-N 2.71Å; V860-R862 PolarHBondContact O-N 3.49Å; R862-K871 WeakPolarHBondContact O-CG 3.29Å; R862-L872 PolarHBondContact O-N 2.92Å; R862-H874 PolarHBondContact NH1-CD2 3.49Å; R862-H874 VanDerWaalsContact NH1-CD2 3.34Å; R862-H874 PolarHBondContact NH1-NE2 3.37Å
863R77.8Confident76.6Confident128 Ų12872.8 Ų72.848%0.48335%0.346SS..BIsolated β-bridgetrans-89.4145.8170.8-58.1-173.4-170.6-164.73.6110.6R858 A861 F870R858-R863 HydrophobicContact CG-CB 3.99Å; R858-R863 PolarHBondContact NH1-O 3.06Å; R858-R863 PolarHBondContact O-N 2.83Å; A861-R863 VanDerWaalsContact C-N 3.29Å; A861-R863 HydrophobicContact CB-CG 4.27Å; A861-R863 PolarHBondContact O-N 3.24Å; R863-F870 WeakPolarHBondContact CA-O 3.4Å
864F81.9Confident74.7Confident41 Ų4177.7 Ų77.718%0.1837%0.369CS..  trans-62.9153.2171.3-62.4-20.6000110.7L664 V665 L867 F870 L872L664-F864 HydrophobicContact CB-CD1 3.8Å; L664-F864 HydrophobicContact CB-CE1 4.04Å; L664-F864 HydrophobicContact CB-CG 4.12Å; L664-F864 HydrophobicContact CD1-CE2 4.31Å; L664-F864 HydrophobicContact CD1-CZ 4.38Å; L664-F864 VanDerWaalsContact O-CA 3.31Å; L664-F864 WeakPolarHBondContact O-CA 3.46Å; V665-F864 HydrophobicContact CG2-CD1 3.76Å; V665-F864 HydrophobicContact CG2-CE1 4.05Å; F864-L867 HydrophobicContact CB-CB 4.16Å; F864-L867 HydrophobicContact CD2-CB 4.39Å; F864-F870 HydrophobicContact CD2-CB 3.48Å; F864-F870 VanDerWaalsContact CD2-CB 3.48Å; F864-F870 HydrophobicContact CD2-CG 4.4Å; F864-F870 HydrophobicContact CE2-CB 3.83Å; F864-F870 HydrophobicContact CG-CB 4.27Å; F864-F870 PolarHBondContact N-O 3.11Å; F864-L872 HydrophobicContact CE1-CB 4.16Å; F864-L872 HydrophobicContact CE1-CD1 4.18Å; F864-L872 HydrophobicContact CZ-CD1 4.34Å
865D78.4Confident72.3Confident10 Ų1081.7 Ų81.75%0.05339%0.386CS..SBendtrans-68.5-76.1-174.1-175.840.9000112.5L664 M667 I669 T670 R858 L867L664-D865 PolarHBondContact O-N 3.17Å; M667-D865 WeakPolarHBondContact O-CB 3.39Å; I669-D865 WeakPolarHBondContact CA-OD2 3.44Å; I669-D865 WeakPolarHBondContact CB-OD2 3.49Å; I669-D865 PolarHBondContact N-OD2 2.81Å; T670-D865 WeakPolarHBondContact CB-OD1 3.43Å; T670-D865 VanDerWaalsContact CG2-OD1 3.28Å; T670-D865 WeakPolarHBondContact CG2-OD1 3.43Å; T670-D865 PolarHBondContact N-OD2 3.03Å; T670-D865 PolarHBondContact OG1-OD1 3.13Å; R858-D865 IonicContact NE-OD1 3.87Å; D865-L867 VanDerWaalsContact C-N 3.33Å; D865-L867 PolarHBondContact O-N 2.83Å
866V72.9Confident69.9Low89 Ų8986.9 Ų86.954%0.53941%0.408SS..THydrogen-bonded Turntrans-66.6-34.7177.4-179.40000112.1I669 T670 F868I669-V866 HydrophobicContact CB-CG2 4.41Å; I669-V866 HydrophobicContact CG2-CG2 4.37Å; T670-V866 HydrophobicContact CG2-CG2 4.26Å; V866-F868 PolarHBondContact O-N 3.04Å
867L71.5Confident67.5Low99 Ų9993.3 Ų93.352%0.51844%0.442SS..THydrogen-bonded Turntrans-99.955.5-175.2-68.4177.2000111.7F864 D865 C869 F870F864-L867 HydrophobicContact CB-CB 4.16Å; F864-L867 HydrophobicContact CD2-CB 4.39Å; D865-L867 VanDerWaalsContact C-N 3.33Å; D865-L867 PolarHBondContact O-N 2.83Å; L867-C869 PolarHBondContact O-N 2.9Å; L867-F870 HydrophobicContact CB-CD2 3.95Å; L867-F870 PolarHBondContact O-N 3.03Å
868F68.2Low65Low134 Ų13496.9 Ų96.959%0.58847%0.465SS*.THydrogen-bonded Turntrans-53.7-20-171.562.3-93.9000116.7V866 F870V866-F868 PolarHBondContact O-N 3.04Å; F868-F870 VanDerWaalsContact C-N 3.27Å
869C67.7Low62.7Low101 Ų101100.1 Ų100.168%0.68248%0.484SS*.THydrogen-bonded Turntrans-68.7-24.4172.7-630000113.1L867L867-C869 PolarHBondContact O-N 2.9Å
870F69.8Low60.5Low126 Ų126104.1 Ų104.155%0.55351%0.509SS*.  trans-95.9127.1-175.8-65-96.3000110.7R863 F864 L867 F868R863-F870 WeakPolarHBondContact CA-O 3.4Å; F864-F870 HydrophobicContact CD2-CB 3.48Å; F864-F870 VanDerWaalsContact CD2-CB 3.48Å; F864-F870 HydrophobicContact CD2-CG 4.4Å; F864-F870 HydrophobicContact CE2-CB 3.83Å; F864-F870 HydrophobicContact CG-CB 4.27Å; F864-F870 PolarHBondContact N-O 3.11Å; L867-F870 HydrophobicContact CB-CD2 3.95Å; L867-F870 PolarHBondContact O-N 3.03Å; F868-F870 VanDerWaalsContact C-N 3.27Å
871K69.1Low58.6Low132 Ų132109.4 Ų109.457%0.57453%0.531SS*.BIsolated β-bridgetrans-109.4136.3173.4-173.7-179.1-179.3-179.90108.7A861 R862 K873A861-K871 VanDerWaalsContact O-CE 3.31Å; A861-K871 WeakPolarHBondContact O-CE 3.3Å; R862-K871 WeakPolarHBondContact O-CG 3.29Å; K871-K873 PolarHBondContact O-N 2.56Å
872L67.1Low57Low69 Ų69113.2 Ų113.236%0.36155%0.551SS.*  trans-66.3106.4173.7-170.666.5000108.7V665 R862 F864V665-L872 HydrophobicContact CG2-CB 4.49Å; R862-L872 PolarHBondContact O-N 2.92Å; F864-L872 HydrophobicContact CE1-CB 4.16Å; F864-L872 HydrophobicContact CE1-CD1 4.18Å; F864-L872 HydrophobicContact CZ-CD1 4.34Å
873K56.3Low55.3Low201 Ų201115.8 Ų115.887%0.87457%0.568SS**  trans-65.3149.2-178.5-161.1178.2179.3-171.50109.9K871 E875K871-K873 PolarHBondContact O-N 2.56Å; K873-E875 PolarHBondContact O-N 3.43Å
874H51.2Low53.2Low102 Ų102117.7 Ų117.747%0.47258%0.583SS.*  trans-81.5111.5-162.2-152.2-112.6000112.5R862 F876R862-H874 PolarHBondContact NH1-CD2 3.49Å; R862-H874 VanDerWaalsContact NH1-CD2 3.34Å; R862-H874 PolarHBondContact NH1-NE2 3.37Å; H874-F876 AromaticContact CE1-CD2 3.38Å; H874-F876 WeakPolarHBondContact CE1-CD2 3.4Å; H874-F876 AromaticContact CE1-CG 3.43Å; H874-F876 VanDerWaalsContact CE1-CG 3.43Å; H874-F876 WeakPolarHBondContact CE1-CG 3.33Å; H874-F876 WeakPolarHBondContact ND1-CB 3.41Å; H874-F876 AromaticContact ND1-CD2 3.83Å; H874-F876 AromaticContact ND1-CG 3.79Å; H874-F876 AromaticContact NE2-CD2 3.91Å; H874-F876 PolarHBondContact O-N 2.93Å
875E38.9Very low50.9Low144 Ų144124.7 Ų124.767%0.67361%0.613SS**  trans-78.948.6174.1-159.1-179.9171.800111.3K661 K873K661-E875 IonicContact NZ-OE1 2.72Å; K661-E875 PolarHBondContact NZ-OE1 2.92Å; K661-E875 IonicContact NZ-OE2 2.76Å; K661-E875 PolarHBondContact NZ-OE2 3.39Å; K873-E875 PolarHBondContact O-N 3.43Å
876F39.4Very low48.7Very low117 Ų117131.7 Ų131.751%0.51365%0.651SS.*  trans-128.867.6169.5-72.8-133.9000110.4H874 L879H874-F876 AromaticContact CE1-CD2 3.38Å; H874-F876 WeakPolarHBondContact CE1-CD2 3.4Å; H874-F876 AromaticContact CE1-CG 3.43Å; H874-F876 VanDerWaalsContact CE1-CG 3.43Å; H874-F876 WeakPolarHBondContact CE1-CG 3.33Å; H874-F876 WeakPolarHBondContact ND1-CB 3.41Å; H874-F876 AromaticContact ND1-CD2 3.83Å; H874-F876 AromaticContact ND1-CG 3.79Å; H874-F876 AromaticContact NE2-CD2 3.91Å; H874-F876 PolarHBondContact O-N 2.93Å; F876-L879 HydrophobicContact CD1-CB 4.42Å; F876-L879 HydrophobicContact CD1-CD1 3.46Å; F876-L879 VanDerWaalsContact CD1-CD1 3.46Å; F876-L879 HydrophobicContact CE1-CD1 3.5Å; F876-L879 HydrophobicContact CG-CD1 4.21Å; F876-L879 HydrophobicContact CZ-CD1 4.28Å
877D33Very low46.8Very low138 Ų138133.6 Ų133.674%0.73866%0.663SS**SBendtrans-97.9-22.3154.5-65.5-49.6000110.6L879D877-L879 VanDerWaalsContact C-N 3.32Å; D877-L879 PolarHBondContact O-N 3.32Å
878N33.1Very low44.9Very low132 Ų132134.3 Ų134.371%0.70668%0.676SS**THydrogen-bonded Turntrans-82.411.7-172.8-62.6-15.2000116
879L38Very low43.3Very low95 Ų95136 Ų13650%0.49769%0.691SS.*THydrogen-bonded Turntrans-113.6-5.5-173.8-100.5164.5000115.4F876 D877F876-L879 HydrophobicContact CD1-CB 4.42Å; F876-L879 HydrophobicContact CD1-CD1 3.46Å; F876-L879 VanDerWaalsContact CD1-CD1 3.46Å; F876-L879 HydrophobicContact CE1-CD1 3.5Å; F876-L879 HydrophobicContact CG-CD1 4.21Å; F876-L879 HydrophobicContact CZ-CD1 4.28Å; D877-L879 VanDerWaalsContact C-N 3.32Å; D877-L879 PolarHBondContact O-N 3.32Å
880N34.2Very low41.9Very low136 Ų136138.4 Ų138.473%0.72770%0.698SS**SBendtrans-94.2-32.3176.7-73.4-11.5000113.1T882N880-T882 VanDerWaalsContact C-N 3.32Å; N880-T882 PolarHBondContact O-N 3.16Å
881E36.7Very low40.3Very low159 Ų159140.9 Ų140.974%0.74371%0.71SS**G310 helixtrans-69.6-26.4-178-64.1-167.3133.500113.6Q883E881-Q883 VanDerWaalsContact C-N 3.26Å; E881-Q883 PolarHBondContact O-N 3.43Å
882T37.7Very low38.8Very low107 Ų107140.3 Ų140.366%0.65672%0.72SS**G310 helixtrans-77.4-1.7-176.426.90000115N880N880-T882 VanDerWaalsContact C-N 3.32Å; N880-T882 PolarHBondContact O-N 3.16Å
883Q38.4Very low37.4Very low171 Ų171141.9 Ų141.980%0.79973%0.734SS**G310 helixtrans-108.6-5.6178.4-67.1-164.1-12.900115.3E881E881-Q883 VanDerWaalsContact C-N 3.26Å; E881-Q883 PolarHBondContact O-N 3.43Å
884Q34.6Very low36.3Very low168 Ų168140 Ų14079%0.78573%0.733SS**SBendtrans-99.5-2-178.4-83.3-176.7-39.200115.6
885F32.1Very low35.6Very low188 Ų188140.6 Ų140.683%0.82574%0.744SS**SBendtrans-100.99.2-170.4-124.4-84.3000116.6
886N32.1Very low35.4Very low157 Ų157139.9 Ų139.984%0.8475%0.745SS**SBendtrans-130.430.8-170.2-93.9-24.7000115.6
887T33.7Very low35.2Very low129 Ų129140.5 Ų140.579%0.79175%0.754SS**SBendtrans-138.151.2173.446.80000113.9
888S31Very low35.3Very low115 Ų115140.3 Ų140.380%0.80475%0.752SS**  trans-159.3101.1160.5-83.30000112.5
889N36.3Very low35.4Very low168 Ų168140.5 Ų140.590%0.89875%0.754SS**  trans-171.4152.8141.8-98.7-38.3000110.8
890N37.8Very low35.2Very low153 Ų153141.9 Ų141.982%0.81877%0.766SS**  trans-91.6172.4-172.6-69.9-58.1000113.5
891H36.4Very low35.2Very low177 Ų177142.3 Ų142.382%0.81977%0.768SS**  trans-32.4150.1176.8-64.5-78.5000117.6
892P37.9Very low35Very low121 Ų121141.4 Ų141.479%0.78677%0.768SS**  -121.2151.4113.635.8-33.9000112.9
893P36.7Very low34.7Very low101 Ų101143.1 Ų143.166%0.65678%0.779SS**  trans-101.9148.4179.937.3-32.6000114.3
894L33.9Very low34.3Very low161 Ų161142.2 Ų142.284%0.84378%0.779SS**  trans54.9130.2142.1-59.1169.9000118.3
895T36.6Very low34Very low116 Ų116141.7 Ų141.771%0.71278%0.781SS**  cis-163163.843.442.60000114.3
896N35Very low33.8Very low129 Ų129138.1 Ų138.169%0.6978%0.775SS**  trans54.4110.8139.5-6813.4000124
897N34.4Very low33.6Very low129 Ų129138.9 Ų138.969%0.6978%0.777SS**  87.1131.6111.7-68.18.8000123.4
898N35.2Very low33.4Very low134 Ų134135.5 Ų135.572%0.71777%0.768SS**  trans92.4152.5139.9-70.913000121.7
899D35.5Very low33.3Very low137 Ų137139.8 Ų139.873%0.73378%0.775SS**  trans71.472.3157.1-53.1-23.8000120.2
900V33.9Very low33Very low123 Ų123138.2 Ų138.275%0.74577%0.767SS**  24103.1113.1-1720000116.5
901N34.1Very low32.5Very low145 Ų145136.9 Ų136.978%0.77576%0.76SS**  -174.8164.6115.8-106.3-60.6000114.5
902N31.8Very low32Very low140 Ų140140.2 Ų140.275%0.74977%0.765SS**  trans-66.1143.5174.9-59.8-52.1000112.7
903T32.4Very low31.4Very low144 Ų144143.3 Ų143.388%0.88377%0.766SS**  -171.4154.3113.218.20000112.4
904N28.9Very low30.9Very low151 Ų151145.2 Ų145.281%0.80778%0.776SS**  trans-87.2139178.5-59.6-53.9000111.6
905L28.1Very low30.5Very low158 Ų158146.7 Ų146.783%0.82778%0.776SS**  trans-177.697.2137.8-116.573.9000105.4
906T28.2Very low30Very low112 Ų112144.6 Ų144.669%0.68777%0.766SS**  62.9154.385.469.30000115.9
907I27.4Very low29.7Very low173 Ų173143.5 Ų143.589%0.88777%0.768SS**  trans74.1131.8177.3-48.2171000114.4
908G29.8Very low29.5Very low59 Ų59144.2 Ų144.261%0.60877%0.772SS**  trans161.9-41.7160.800000118.8N910G908-N910 PolarHBondContact O-N 2.9Å
909Q29.2Very low29.4Very low204 Ų204143 Ų14395%0.95378%0.775SS**  trans-81.792.8-169.5-75.5-163.3-16.100114
910N30.4Very low29.2Very low135 Ų135143.6 Ų143.672%0.72278%0.778SS**  trans-58.5130.8163.2-80.9-63.9000111.4G908G908-N910 PolarHBondContact O-N 2.9Å
911N26.8Very low29.3Very low126 Ų126142.4 Ų142.467%0.67478%0.775SS**  66.881.474.4-69.7-45.8000115.5
912R26.5Very low29.1Very low246 Ų246143.2 Ų143.293%0.92878%0.778SS**  trans-115.6103.7136.9-71-180174.3178-2.4105.5
913K24.5Very low29.1Very low186 Ų186141 Ų14181%0.80977%0.774SS**  59.4113.961.6-74.5-165.9169.8-175.60114.3
914V25.7Very low29.2Very low141 Ų141141.5 Ų141.586%0.85577%0.77SS**  trans141.4128.8161.5155.50000106.2
915F25.9Very low29.3Very low192 Ų192138.9 Ų138.984%0.84276%0.764SS**  cis174.4156.1-13.3-148.5-105000104.5
916S26.1Very low29.6Very low73 Ų73136 Ų13651%0.5176%0.757SS.*  -160.5-171.1-53.458.40000107.7
917S29.7Very low29.7Very low105 Ų105137 Ų13773%0.73476%0.763SS**  trans74109.9-179.872.10000115.7
918D28.8Very low29.9Very low144 Ų144133.4 Ų133.477%0.7776%0.759SS**  cis109.6155.19.1-56.3-52.6000114.8
919S34.9Very low30Very low110 Ų110139.3 Ų139.377%0.76977%0.773SS**  trans75.6136.6173.574.30000118.8
920D30.5Very low30.2Very low148 Ų148137.5 Ų137.579%0.79177%0.77SS**  cis-165.8174.7-26-129-50.6000113.6
921S35.1Very low30.2Very low99 Ų99138.8 Ų138.869%0.69278%0.777SS**  trans72.4147.6160.678.90000118.5
922L31.6Very low30.6Very low162 Ų162135.8 Ų135.885%0.84878%0.776SS**  cis-148.6171.1-7.7-124.8167000110.2
923S31.2Very low30.9Very low94 Ų94131 Ų13166%0.65777%0.769SS**  trans-132.8166.2-156.6580000115.4
924L33.4Very low31.1Very low153 Ų153128.3 Ų128.380%0.80176%0.762SS**  trans-179.2117.9140.1-116.768.5000108.8
925S31.6Very low31.6Very low97 Ų97128 Ų12868%0.67875%0.751SS**  77.9138.591.373.60000116.2
926S34Very low31.9Very low97 Ų97126.2 Ų126.268%0.67875%0.745SS**  cis-175.2168.4-1255.30000111.2
927T30.6Very low32.2Very low134 Ų134128.9 Ų128.982%0.82275%0.752SS**  trans61.2148.8148.345.30000120.7
928A32.3Very low32.4Very low96 Ų96130 Ų13079%0.79375%0.749SS**  cis-161.3177.5-10.800000111
929M31.4Very low32.5Very low184 Ų184129.9 Ų129.991%0.90675%0.748SS**  trans-74.4162.4176.7-57.6158.1165.700113.3
930D33.1Very low32.5Very low165 Ų165128.7 Ų128.788%0.88275%0.745SS**  -157.4167109.1-145.3-14.5000111
931D31.5Very low32.6Very low163 Ų163129.4 Ų129.487%0.87274%0.743SS**  trans-126160.2-162.6-120-39.4000115.5
932G34Very low32.5Very low63 Ų63132.1 Ų132.165%0.64975%0.745SS**  trans118.2162.9155.300000119.3
933N32.5Very low32.3Very low146 Ų146133 Ų13378%0.78175%0.745SS**  cis-166.2149.3-14.3-150.9-4.3000112.2
934I30Very low32.3Very low129 Ų129134.3 Ų134.366%0.66275%0.751SS**  trans54.7161.6165.916.2178.7000117.7
935H34.5Very low32Very low135 Ų135134.5 Ų134.563%0.62575%0.753SS**  cis-146.1145.219.8-108.1-87.4000112.2
936E33.2Very low32Very low154 Ų154139.3 Ų139.372%0.7276%0.764SS**  trans50.6155140.9-68.9175.3132.300121
937I31.6Very low31.8Very low128 Ų128142 Ų14266%0.65677%0.771SS**  cis-166.71562.1-115167.8000104.8
938D33.8Very low31.6Very low128 Ų128141.8 Ų141.868%0.68477%0.769SS**  cis-164.2-172-0.9-106.3-15.1000106.3
939L32.1Very low31.5Very low143 Ų143144.2 Ų144.275%0.74976%0.764SS**  cis-175.8158.6-42.3-167.9142.9000107.2
940A34.9Very low31.5Very low84 Ų84142.9 Ų142.969%0.69476%0.761SS**  trans77.7145.9177.800000117.6
941E31.9Very low31.3Very low163 Ų163145.1 Ų145.176%0.76276%0.763SS**  cis-172.4154.4-30.9-115.5-179178.200105.1
942H33.1Very low31.1Very low157 Ų157145.3 Ų145.373%0.72776%0.756SS**  cis-156.9156.627.5-130.990.8000108
943Q27.4Very low30.8Very low181 Ų181151.9 Ų151.985%0.84676%0.762SS**  trans-133156.9178.6-96.1-170.4-37.700112.8
944P31.5Very low30.6Very low121 Ų121154.2 Ų154.279%0.78677%0.765SS**  trans-128.2103.3150.434.9-21.2000113.3
945N26.4Very low30.6Very low156 Ų156153.5 Ų153.583%0.83477%0.772SS**  trans43.877.7140.2-56.1-17.2000120.1
946E32.5Very low30.9Very low198 Ų198150.8 Ų150.893%0.92577%0.765SS**  trans-119.6103.8143.6-80.1-167.4137.300109.2
947L29Very low31.5Very low154 Ų154145.6 Ų145.681%0.80675%0.745SS**  trans-135.9135.6-177.6-147.482.7000111.4
948T27.6Very low32.6Very low130 Ų130144.1 Ų144.180%0.79874%0.735SS**SBendtrans69.547161.949.10000120.7
949E30.1Very low34.1Very low147 Ų147139 Ų13969%0.68771%0.71SS**SBendtrans-118-32.6153.4-74.4-128.4103.900115K951 K952E949-K951 PolarHBondContact O-N 3.28Å; E949-K952 VanDerWaalsContact O-CB 3.3Å; E949-K952 WeakPolarHBondContact O-CB 3.44Å; E949-K952 PolarHBondContact O-N 3.26Å
950D30.3Very low36.1Very low155 Ų155138.1 Ų138.183%0.82970%0.696SS**G310 helixtrans-61.2-12.5-173-92-20.2000116.9K952D950-K952 PolarHBondContact O-N 3.38Å
951K29.5Very low38.2Very low213 Ų213134.7 Ų134.793%0.92667%0.667SS**G310 helixtrans-77.9-4.7171.4-73.8-172.6177178.20113.7E949E949-K951 PolarHBondContact O-N 3.28Å
952K26.8Very low40.5Very low166 Ų166127.9 Ų127.972%0.72264%0.635SS**G310 helixtrans-96.4-9.8-175.1-148.1172.3-175.8179.20114.7E949 D950E949-K952 VanDerWaalsContact O-CB 3.3Å; E949-K952 WeakPolarHBondContact O-CB 3.44Å; E949-K952 PolarHBondContact O-N 3.26Å; D950-K952 PolarHBondContact O-N 3.38Å
953Y27.5Very low42.8Very low202 Ų202127.7 Ų127.779%0.79263%0.629SS**SBendtrans-106.916.8-173.1-110.3-85.9000115.4
954K29Very low45.6Very low194 Ų194122 Ų12284%0.84361%0.606SS**  trans-123.646.5-171.8-108.3176.8-178.1171.20115.7
955S29.4Very low48.2Very low115 Ų115116.3 Ų116.380%0.80457%0.569SS**  trans-106.438164.260.60000113.1S957S955-S957 PolarHBondContact O-N 2.91Å
956V41Very low51Low77 Ų77109.8 Ų109.847%0.46754%0.537SS..  trans-59.6124166.6-178.70000108.1H958V956-H958 PolarHBondContact O-N 3.38Å
957S46.7Very low53.7Low45 Ų45104.9 Ų104.932%0.31552%0.517SS..  trans-76.456.1-173.471.10000112.9R658 S955 S959R658-S957 PolarHBondContact NE-OG 3.45Å; R658-S957 PolarHBondContact NH2-OG 3.34Å; S955-S957 PolarHBondContact O-N 2.91Å; S957-S959 PolarHBondContact O-N 3.07Å
958H54.5Low56.5Low97 Ų97105.5 Ų105.545%0.44951%0.51SS..  trans-58.2129.8164.9-67.6-91.1000108.3V956 H962V956-H958 PolarHBondContact O-N 3.38Å; H958-H962 AromaticContact CE1-CE1 3.99Å; H958-H962 AromaticContact CG-ND1 3.79Å; H958-H962 AromaticContact ND1-CE1 3.54Å; H958-H962 AromaticContact ND1-ND1 3.3Å; H958-H962 PolarHBondContact ND1-ND1 2.82Å
959S64.6Low59.5Low20 Ų20101.7 Ų101.714%0.1448%0.484CS..  trans-66.6145.6179.1-157.50000110.4S957 L961 H962 R1356S957-S959 PolarHBondContact O-N 3.07Å; S959-L961 PolarHBondContact O-N 3.06Å; S959-H962 WeakPolarHBondContact O-CB 3.4Å; S959-H962 PolarHBondContact O-N 3.32Å; S959-R1356 PolarHBondContact OG-NH1 3.14Å; S959-R1356 PolarHBondContact OG-NH2 3.37Å
960W75.2Confident62.3Low125 Ų12594.7 Ų94.747%0.47345%0.451SS..Hα-helixtrans-49.6-32.5-166.967.9-95.1000115Y963 V964W960-Y963 WeakPolarHBondContact O-CB 3.47Å; W960-Y963 PolarHBondContact O-N 2.82Å; W960-V964 HydrophobicContact CE3-CG2 4.17Å; W960-V964 HydrophobicContact CZ3-CG2 4.47Å; W960-V964 WeakPolarHBondContact O-CG2 3.49Å; W960-V964 PolarHBondContact O-N 3.11Å; W960-V964 VanDerWaalsContact O-N 3.11Å
961L77.8Confident65.1Low13 Ų1389.7 Ų89.77%0.06843%0.427CS..Hα-helixtrans-71-36-179.7-170.966.9000112.6S959 Y963 V964 V965 L1355 R1356S959-L961 PolarHBondContact O-N 3.06Å; L961-Y963 VanDerWaalsContact C-N 3.28Å; L961-Y963 PolarHBondContact O-N 2.96Å; L961-V964 PolarHBondContact O-N 2.82Å; L961-V965 HydrophobicContact CD1-CG2 4.47Å; L961-V965 HydrophobicContact CG-CG2 4.29Å; L961-V965 WeakPolarHBondContact O-CG2 3.29Å; L961-V965 PolarHBondContact O-N 3.29Å; L961-L1355 HydrophobicContact CD1-CD1 4.26Å; L961-L1355 HydrophobicContact CD2-CB 3.69Å; L961-L1355 HydrophobicContact CD2-CD1 4.2Å; L961-L1355 HydrophobicContact CG-CD1 4.42Å; L961-R1356 HydrophobicContact CD2-CG 3.62Å
962H80.1Confident68Low19 Ų1982.8 Ų82.89%0.08840%0.403CS..Hα-helixtrans-60.9-41.2173.3178.6-90.6000110.6H958 S959 V964 V965 A966 S1348 E1349H958-H962 AromaticContact CE1-CE1 3.99Å; H958-H962 AromaticContact CG-ND1 3.79Å; H958-H962 AromaticContact ND1-CE1 3.54Å; H958-H962 AromaticContact ND1-ND1 3.3Å; H958-H962 PolarHBondContact ND1-ND1 2.82Å; S959-H962 WeakPolarHBondContact O-CB 3.4Å; S959-H962 PolarHBondContact O-N 3.32Å; H962-V964 PolarHBondContact O-N 3.4Å; H962-V965 PolarHBondContact O-N 3.09Å; H962-A966 WeakPolarHBondContact O-CB 3.44Å; H962-A966 PolarHBondContact O-N 3.47Å; H962-S1348 PolarHBondContact CD2-O 3.46Å; H962-S1348 VanDerWaalsContact CD2-O 3.22Å; H962-E1349 IonicContact NE2-OE1 2.77Å
963Y82.1Confident71.1Confident154 Ų15475.3 Ų75.360%0.60437%0.371SS*.Hα-helixtrans-59.9-44.6173.7-178.8-82.4000112.1W960 L961 N967W960-Y963 WeakPolarHBondContact O-CB 3.47Å; W960-Y963 PolarHBondContact O-N 2.82Å; L961-Y963 VanDerWaalsContact C-N 3.28Å; L961-Y963 PolarHBondContact O-N 2.96Å; Y963-N967 WeakPolarHBondContact CD2-ND2 3.27Å; Y963-N967 WeakPolarHBondContact CE2-ND2 3.3Å; Y963-N967 VanDerWaalsContact O-CB 3.27Å; Y963-N967 WeakPolarHBondContact O-CB 3.27Å; Y963-N967 PolarHBondContact O-N 3.02Å; Y963-N967 PolarHBondContact O-ND2 2.97Å
964V85.9Confident74.2Confident61 Ų6166.4 Ų66.437%0.3734%0.337SS..Hα-helixtrans-64.4-45.8177172.20000111.9W960 L961 H962 Y968 L969W960-V964 HydrophobicContact CE3-CG2 4.17Å; W960-V964 HydrophobicContact CZ3-CG2 4.47Å; W960-V964 WeakPolarHBondContact O-CG2 3.49Å; W960-V964 PolarHBondContact O-N 3.11Å; W960-V964 VanDerWaalsContact O-N 3.11Å; L961-V964 PolarHBondContact O-N 2.82Å; H962-V964 PolarHBondContact O-N 3.4Å; V964-Y968 WeakPolarHBondContact O-CB 3.41Å; V964-Y968 PolarHBondContact O-N 3.24Å; V964-L969 PolarHBondContact O-N 2.68Å; V964-L969 VanDerWaalsContact O-N 3.14Å
965V87.1Confident77Confident1 Ų158.4 Ų58.41%0.00631%0.305CS..Iπ-helixtrans-66.9-45-178.8177.60000111.1L961 H962 L969 S970 L1347 L1355L961-V965 HydrophobicContact CD1-CG2 4.47Å; L961-V965 HydrophobicContact CG-CG2 4.29Å; L961-V965 WeakPolarHBondContact O-CG2 3.29Å; L961-V965 PolarHBondContact O-N 3.29Å; H962-V965 PolarHBondContact O-N 3.09Å; V965-L969 HydrophobicContact CG1-CD2 4.4Å; V965-L969 HydrophobicContact CG2-CD2 4.36Å; V965-S970 VanDerWaalsContact O-CB 3.23Å; V965-S970 WeakPolarHBondContact O-CB 3.02Å; V965-S970 PolarHBondContact O-N 3.21Å; V965-L1347 HydrophobicContact CG1-CG 4.43Å; V965-L1347 WeakPolarHBondContact CG1-O 3.41Å; V965-L1355 HydrophobicContact CG2-CD1 3.77Å
966A84.9Confident79.7Confident19 Ų1956.1 Ų56.116%0.15730%0.3CS..Iπ-helixtrans-71-40.1-177.700000113.8H962 P971H962-A966 WeakPolarHBondContact O-CB 3.44Å; H962-A966 PolarHBondContact O-N 3.47Å; A966-P971 WeakPolarHBondContact O-CD 3.32Å
967N87.6Confident81.9Confident95 Ų9561.2 Ų61.251%0.50831%0.311SS..Iπ-helixtrans-98.3-23.6-171.8-62.9-43.2000114.5Y963Y963-N967 WeakPolarHBondContact CD2-ND2 3.27Å; Y963-N967 WeakPolarHBondContact CE2-ND2 3.3Å; Y963-N967 VanDerWaalsContact O-CB 3.27Å; Y963-N967 WeakPolarHBondContact O-CB 3.27Å; Y963-N967 PolarHBondContact O-N 3.02Å; Y963-N967 PolarHBondContact O-ND2 2.97Å
968Y88.6Confident84.1Confident167 Ų16759.4 Ų59.466%0.65530%0.299SS*.Iπ-helixtrans-115.3-57.5-178.5-171.4-99.9000112.3V964 V972V964-Y968 WeakPolarHBondContact O-CB 3.41Å; V964-Y968 PolarHBondContact O-N 3.24Å; Y968-V972 WeakPolarHBondContact O-CB 3.27Å; Y968-V972 VanDerWaalsContact O-CG2 3.23Å; Y968-V972 WeakPolarHBondContact O-CG2 3.36Å; Y968-V972 PolarHBondContact O-N 3.17Å
969L89.8Confident85.9Confident50 Ų5056 Ų5626%0.26228%0.282SS..Iπ-helixtrans-67.1-52.6-172-168.764.4000112.5V964 V965 V972 I973V964-L969 PolarHBondContact O-N 2.68Å; V964-L969 VanDerWaalsContact O-N 3.14Å; V965-L969 HydrophobicContact CG1-CD2 4.4Å; V965-L969 HydrophobicContact CG2-CD2 4.36Å; L969-V972 PolarHBondContact O-N 2.84Å; L969-I973 HydrophobicContact CD1-CD1 3.68Å; L969-I973 HydrophobicContact CD1-CG1 4.4Å; L969-I973 HydrophobicContact CG-CD1 3.7Å; L969-I973 WeakPolarHBondContact O-CG1 3.49Å; L969-I973 PolarHBondContact O-N 2.9Å; L969-I973 VanDerWaalsContact O-N 3.11Å
970S89.4Confident87.1Confident0 Ų056.3 Ų56.30%028%0.284CS..Hα-helixtrans-64.6-44.1-174.8-173.90000113.3V965 V972 L974 K1344V965-S970 VanDerWaalsContact O-CB 3.23Å; V965-S970 WeakPolarHBondContact O-CB 3.02Å; V965-S970 PolarHBondContact O-N 3.21Å; S970-V972 PolarHBondContact O-N 3.19Å; S970-L974 WeakPolarHBondContact O-CB 3.41Å; S970-L974 PolarHBondContact O-N 3.48Å; S970-K1344 WeakPolarHBondContact OG-CA 3.47Å; S970-K1344 WeakPolarHBondContact OG-CG 3.45Å; S970-K1344 PolarHBondContact OG-O 3.08Å; S970-K1344 VanDerWaalsContact OG-O 3.12Å
971P89.4Confident88Confident50 Ų5053.4 Ų53.433%0.32528%0.281SS..Hα-helixtrans-64.6-36.2174.9-24.136.4000114.5A966 S975A966-P971 WeakPolarHBondContact O-CD 3.32Å; P971-S975 PolarHBondContact O-N 2.91Å
972V91.1Very high88.7Confident68 Ų6854.1 Ų54.141%0.41229%0.285SS..Hα-helixtrans-70.5-49.9-179.3170.20000111Y968 L969 S970 L974 S975 A978Y968-V972 WeakPolarHBondContact O-CB 3.27Å; Y968-V972 VanDerWaalsContact O-CG2 3.23Å; Y968-V972 WeakPolarHBondContact O-CG2 3.36Å; Y968-V972 PolarHBondContact O-N 3.17Å; L969-V972 PolarHBondContact O-N 2.84Å; S970-V972 PolarHBondContact O-N 3.19Å; V972-L974 VanDerWaalsContact C-N 3.34Å; V972-L974 PolarHBondContact O-N 3.12Å; V972-S975 VanDerWaalsContact O-CB 3.28Å; V972-S975 WeakPolarHBondContact O-CB 3.09Å; V972-S975 PolarHBondContact O-N 2.73Å; V972-S975 PolarHBondContact O-OG 3.18Å; V972-A978 WeakPolarHBondContact O-CB 3.42Å
973I91.9Very high89.4Confident10 Ų1053.7 Ų53.75%0.05128%0.283CS..Hα-helixtrans-61.4-41.2-179.1-70.1173.1000111.8L969 S975 R979 I982 L1347 I1398 V1402L969-I973 HydrophobicContact CD1-CD1 3.68Å; L969-I973 HydrophobicContact CD1-CG1 4.4Å; L969-I973 HydrophobicContact CG-CD1 3.7Å; L969-I973 WeakPolarHBondContact O-CG1 3.49Å; L969-I973 PolarHBondContact O-N 2.9Å; L969-I973 VanDerWaalsContact O-N 3.11Å; I973-S975 VanDerWaalsContact C-N 3.31Å; I973-S975 PolarHBondContact O-N 3.26Å; I973-R979 WeakPolarHBondContact O-CG 3.46Å; I973-I982 HydrophobicContact CG2-CD1 4.14Å; I973-L1347 HydrophobicContact CD1-CD2 4.4Å; I973-I1398 HydrophobicContact CD1-CB 4.27Å; I973-I1398 HydrophobicContact CD1-CG1 3.9Å; I973-I1398 HydrophobicContact CD1-CG2 4.14Å; I973-I1398 HydrophobicContact CG1-CG2 4.33Å; I973-I1398 HydrophobicContact CG2-CG2 4.36Å; I973-V1402 HydrophobicContact CG2-CG2 3.52Å
974L91.4Very high89.9Confident15 Ų1549.9 Ų49.98%0.07927%0.273CS..THydrogen-bonded Turntrans-88.96.6-177.2-63172000113.7S970 V972 R979 V1340 A1343 K1344S970-L974 WeakPolarHBondContact O-CB 3.41Å; S970-L974 PolarHBondContact O-N 3.48Å; V972-L974 VanDerWaalsContact C-N 3.34Å; V972-L974 PolarHBondContact O-N 3.12Å; L974-R979 WeakPolarHBondContact O-CD 3.48Å; L974-V1340 HydrophobicContact CB-CG1 4.33Å; L974-A1343 HydrophobicContact CD1-CB 4.09Å; L974-A1343 HydrophobicContact CD2-CB 4.16Å; L974-K1344 VanDerWaalsContact CD1-CA 3.43Å; L974-K1344 HydrophobicContact CD1-CB 3.73Å; L974-K1344 HydrophobicContact CD1-CG 4.25Å
975S89.2Confident90.3Very high26 Ų2652.5 Ų52.518%0.18228%0.284CS..SBendtrans-62.7154.3174.671.30000112.5P971 V972 I973 W977 A978 R979P971-S975 PolarHBondContact O-N 2.91Å; V972-S975 VanDerWaalsContact O-CB 3.28Å; V972-S975 WeakPolarHBondContact O-CB 3.09Å; V972-S975 PolarHBondContact O-N 2.73Å; V972-S975 PolarHBondContact O-OG 3.18Å; I973-S975 VanDerWaalsContact C-N 3.31Å; I973-S975 PolarHBondContact O-N 3.26Å; S975-W977 PolarHBondContact O-N 3.25Å; S975-A978 PolarHBondContact O-N 2.86Å; S975-A978 WeakPolarHBondContact OG-CB 3.45Å; S975-A978 PolarHBondContact OG-N 3.32Å; S975-R979 WeakPolarHBondContact O-CD 3.49Å; S975-R979 VanDerWaalsContact O-CG 3.28Å; S975-R979 WeakPolarHBondContact O-CG 3.18Å; S975-R979 PolarHBondContact O-N 3.03Å
976G84.4Confident90.6Very high67 Ų6752.6 Ų52.669%0.69128%0.284SS*.THydrogen-bonded Turntrans-60.6-29-172.900000114.9P980G976-P980 VanDerWaalsContact O-CD 3.29Å; G976-P980 WeakPolarHBondContact O-CD 3.36Å
977W88.3Confident91.1Very high184 Ų18452.8 Ų52.870%0.69728%0.283SS*.THydrogen-bonded Turntrans-96.9-34.3-179.165.9-95.5000113.2S975 R979 P980 C981S975-W977 PolarHBondContact O-N 3.25Å; W977-R979 PolarHBondContact O-N 3.24Å; W977-P980 VanDerWaalsContact O-CD 3.26Å; W977-P980 WeakPolarHBondContact O-CD 3.42Å; W977-P980 VanDerWaalsContact O-CG 3.31Å; W977-P980 WeakPolarHBondContact O-CG 3.45Å; W977-C981 PolarHBondContact O-SG 3.1Å; W977-C981 VanDerWaalsContact O-SG 3.37Å
978A91.7Very high91.4Very high7 Ų750.1 Ų50.16%0.05827%0.273CS..Hα-helixtrans-67.3-39179.700000111.7V972 S975 C981 I982V972-A978 WeakPolarHBondContact O-CB 3.42Å; S975-A978 PolarHBondContact O-N 2.86Å; S975-A978 WeakPolarHBondContact OG-CB 3.45Å; S975-A978 PolarHBondContact OG-N 3.32Å; A978-C981 PolarHBondContact O-N 3.25Å; A978-C981 VanDerWaalsContact O-N 3.17Å; A978-I982 HydrophobicContact CB-CD1 4.27Å; A978-I982 VanDerWaalsContact O-CG1 3.3Å; A978-I982 WeakPolarHBondContact O-CG1 3.47Å; A978-I982 PolarHBondContact O-N 2.95Å
979R92.7Very high91.7Very high24 Ų2445.3 Ų45.39%0.09125%0.254CS..Hα-helixtrans-51.5-54.1179.7-75.7173.565.5-165.64.9114.6I973 L974 S975 W977 I983 V1402 S1405 Y1406I973-R979 WeakPolarHBondContact O-CG 3.46Å; L974-R979 WeakPolarHBondContact O-CD 3.48Å; S975-R979 WeakPolarHBondContact O-CD 3.49Å; S975-R979 VanDerWaalsContact O-CG 3.28Å; S975-R979 WeakPolarHBondContact O-CG 3.18Å; S975-R979 PolarHBondContact O-N 3.03Å; W977-R979 PolarHBondContact O-N 3.24Å; R979-I983 PolarHBondContact O-N 2.8Å; R979-V1402 HydrophobicContact CB-CG1 4.24Å; R979-V1402 HydrophobicContact CG-CG1 4.28Å; R979-V1402 HydrophobicContact CG-CG2 4.32Å; R979-S1405 PolarHBondContact NE-OG 3.22Å; R979-S1405 PolarHBondContact NH2-O 2.95Å; R979-S1405 PolarHBondContact NH2-OG 3.08Å; R979-Y1406 HydrophobicContact CB-CE2 4.07Å
980P91.1Very high91.9Very high28 Ų2844.4 Ų44.418%0.18225%0.249CC..Hα-helixtrans-66.6-36.2175.924.1-33.5000113.2F279 G976 W977 I983 I984F279-P980 HydrophobicContact CE1-CB 4.07Å; F279-P980 HydrophobicContact CZ-CB 4.31Å; G976-P980 VanDerWaalsContact O-CD 3.29Å; G976-P980 WeakPolarHBondContact O-CD 3.36Å; W977-P980 VanDerWaalsContact O-CD 3.26Å; W977-P980 WeakPolarHBondContact O-CD 3.42Å; W977-P980 VanDerWaalsContact O-CG 3.31Å; W977-P980 WeakPolarHBondContact O-CG 3.45Å; P980-I983 PolarHBondContact O-N 3.49Å; P980-I984 WeakPolarHBondContact O-CG1 3.36Å; P980-I984 PolarHBondContact O-N 3.14Å
981C92.5Very high92.1Very high63 Ų6345 Ų4543%0.42625%0.253SS..Hα-helixtrans-62.2-45.1176.2-66.40000112W977 A978 I983 I984 I985W977-C981 PolarHBondContact O-SG 3.1Å; W977-C981 VanDerWaalsContact O-SG 3.37Å; A978-C981 PolarHBondContact O-N 3.25Å; A978-C981 VanDerWaalsContact O-N 3.17Å; C981-I983 VanDerWaalsContact C-N 3.33Å; C981-I983 PolarHBondContact O-N 3.12Å; C981-I984 PolarHBondContact O-N 2.95Å; C981-I985 VanDerWaalsContact O-CG1 3.29Å; C981-I985 WeakPolarHBondContact O-CG1 3.44Å; C981-I985 PolarHBondContact O-N 3.26Å
982I94.5Very high92.3Very high29 Ų2946.7 Ų46.715%0.14926%0.255CS..Hα-helixtrans-59.3-43.4177-70.2164.1000110.7I973 A978 I985 S986 I1398 V1402I973-I982 HydrophobicContact CG2-CD1 4.14Å; A978-I982 HydrophobicContact CB-CD1 4.27Å; A978-I982 VanDerWaalsContact O-CG1 3.3Å; A978-I982 WeakPolarHBondContact O-CG1 3.47Å; A978-I982 PolarHBondContact O-N 2.95Å; I982-I985 PolarHBondContact O-N 3.34Å; I982-S986 WeakPolarHBondContact O-CB 3.48Å; I982-S986 PolarHBondContact O-N 3.27Å; I982-S986 PolarHBondContact O-OG 3.12Å; I982-I1398 HydrophobicContact CD1-CG2 3.96Å; I982-I1398 HydrophobicContact CG1-CG2 4.43Å; I982-I1398 HydrophobicContact CG2-CG2 4.27Å; I982-V1402 HydrophobicContact CB-CG1 4.47Å; I982-V1402 HydrophobicContact CD1-CG2 3.95Å; I982-V1402 HydrophobicContact CG2-CB 4.28Å; I982-V1402 HydrophobicContact CG2-CG1 4.28Å; I982-V1402 HydrophobicContact CG2-CG2 4.17Å
983I93.2Very high92.4Very high9 Ų943.4 Ų43.45%0.04624%0.236CC..Hα-helixtrans-66.2-40.9177.9-69.3167.4000112F279 R979 P980 C981 I985 S986 L987 V1402 Y1403 Y1406F279-I983 HydrophobicContact CD1-CG2 4.14Å; F279-I983 HydrophobicContact CD2-CG2 4.09Å; F279-I983 HydrophobicContact CE1-CB 3.91Å; F279-I983 HydrophobicContact CE1-CG2 3.71Å; F279-I983 HydrophobicContact CE2-CB 4.25Å; F279-I983 HydrophobicContact CE2-CD1 3.86Å; F279-I983 HydrophobicContact CE2-CG2 3.67Å; F279-I983 HydrophobicContact CG-CG2 4.3Å; F279-I983 HydrophobicContact CZ-CB 3.58Å; F279-I983 HydrophobicContact CZ-CD1 3.61Å; F279-I983 HydrophobicContact CZ-CG1 4.18Å; F279-I983 HydrophobicContact CZ-CG2 3.42Å; F279-I983 VanDerWaalsContact CZ-CG2 3.42Å; R979-I983 PolarHBondContact O-N 2.8Å; P980-I983 PolarHBondContact O-N 3.49Å; C981-I983 VanDerWaalsContact C-N 3.33Å; C981-I983 PolarHBondContact O-N 3.12Å; I983-I985 VanDerWaalsContact C-N 3.33Å; I983-I985 PolarHBondContact O-N 3.27Å; I983-S986 WeakPolarHBondContact CA-OG 3.44Å; I983-S986 PolarHBondContact O-N 3.11Å; I983-S986 PolarHBondContact O-OG 3.17Å; I983-S986 VanDerWaalsContact O-OG 3.1Å; I983-L987 HydrophobicContact CG2-CD1 3.81Å; I983-L987 HydrophobicContact CG2-CG 4.24Å; I983-L987 WeakPolarHBondContact O-CB 3.26Å; I983-L987 WeakPolarHBondContact O-CG 3.35Å; I983-L987 PolarHBondContact O-N 3.46Å; I983-V1402 HydrophobicContact CD1-CG1 3.82Å; I983-V1402 HydrophobicContact CG1-CG1 3.75Å; I983-Y1403 HydrophobicContact CG1-CD2 4.27Å; I983-Y1403 HydrophobicContact CG1-CE2 3.85Å; I983-Y1406 HydrophobicContact CD1-CD2 3.55Å; I983-Y1406 HydrophobicContact CD1-CE2 3.49Å; I983-Y1406 VanDerWaalsContact CD1-CE2 3.49Å; I983-Y1406 HydrophobicContact CD1-CG 4.49Å
984I93.3Very high92.4Very high75 Ų7545.2 Ų45.239%0.38525%0.252SS..Hα-helixtrans-64.6-40.7177.2-68.2164.8000110.6T276 F279 P980 C981 L987 A988T276-I984 HydrophobicContact CG2-CG2 4.45Å; F279-I984 HydrophobicContact CD1-CD1 4.41Å; F279-I984 HydrophobicContact CD1-CG1 3.93Å; F279-I984 HydrophobicContact CE1-CD1 4.39Å; F279-I984 HydrophobicContact CE1-CG1 3.99Å; P980-I984 WeakPolarHBondContact O-CG1 3.36Å; P980-I984 PolarHBondContact O-N 3.14Å; C981-I984 PolarHBondContact O-N 2.95Å; I984-L987 PolarHBondContact O-N 3.14Å; I984-A988 WeakPolarHBondContact O-CB 3.36Å; I984-A988 PolarHBondContact O-N 2.86Å
985I94.4Very high92.5Very high116 Ų11645 Ų4560%0.59525%0.252SS*.Hα-helixtrans-66.7-43.4176.7-67.5165.2000111.3C981 I982 I983 A988 W989C981-I985 VanDerWaalsContact O-CG1 3.29Å; C981-I985 WeakPolarHBondContact O-CG1 3.44Å; C981-I985 PolarHBondContact O-N 3.26Å; I982-I985 PolarHBondContact O-N 3.34Å; I983-I985 VanDerWaalsContact C-N 3.33Å; I983-I985 PolarHBondContact O-N 3.27Å; I985-A988 PolarHBondContact O-N 2.89Å; I985-W989 WeakPolarHBondContact O-CB 3.41Å; I985-W989 PolarHBondContact O-N 2.83Å
986S94.2Very high92.6Very high3 Ų345 Ų452%0.02125%0.249CC..Hα-helixtrans-69.1-32.817861.90000112.7I982 I983 I990 Y1289 Y1403I982-S986 WeakPolarHBondContact O-CB 3.48Å; I982-S986 PolarHBondContact O-N 3.27Å; I982-S986 PolarHBondContact O-OG 3.12Å; I983-S986 WeakPolarHBondContact CA-OG 3.44Å; I983-S986 PolarHBondContact O-N 3.11Å; I983-S986 PolarHBondContact O-OG 3.17Å; I983-S986 VanDerWaalsContact O-OG 3.1Å; S986-I990 WeakPolarHBondContact O-CB 3.36Å; S986-I990 WeakPolarHBondContact O-CG2 3.43Å; S986-I990 PolarHBondContact O-N 3.12Å; S986-Y1289 WeakPolarHBondContact CA-OH 3.42Å; S986-Y1289 WeakPolarHBondContact CB-OH 3.41Å; S986-Y1289 PolarHBondContact O-OH 2.03Å; S986-Y1403 WeakPolarHBondContact OG-CE2 3.47Å; S986-Y1403 PolarHBondContact OG-OH 2.78Å
987L93.6Very high92.8Very high23 Ų2343.3 Ų43.312%0.1223%0.225CC..Hα-helixtrans-68.8-40.4171.4-72.4174.1000112L275 I983 I984 C991L275-L987 HydrophobicContact CB-CD1 4.48Å; L275-L987 HydrophobicContact CD1-CD2 4.23Å; I983-L987 HydrophobicContact CG2-CD1 3.81Å; I983-L987 HydrophobicContact CG2-CG 4.24Å; I983-L987 WeakPolarHBondContact O-CB 3.26Å; I983-L987 WeakPolarHBondContact O-CG 3.35Å; I983-L987 PolarHBondContact O-N 3.46Å; I984-L987 PolarHBondContact O-N 3.14Å; L987-C991 WeakPolarHBondContact O-CB 3.12Å; L987-C991 PolarHBondContact O-N 2.92Å; L987-C991 VanDerWaalsContact O-N 3.11Å; L987-C991 PolarHBondContact O-SG 2.92Å; L987-C991 VanDerWaalsContact O-SG 3.38Å
988A94.2Very high92.7Very high38 Ų3837.4 Ų37.431%0.31421%0.21SC..Hα-helixtrans-61.3-48174.400000111.1F272 I984 I985 F992F272-A988 HydrophobicContact CD2-CB 4.2Å; F272-A988 HydrophobicContact CE2-CB 3.49Å; F272-A988 VanDerWaalsContact CE2-CB 3.49Å; F272-A988 HydrophobicContact CZ-CB 3.86Å; I984-A988 WeakPolarHBondContact O-CB 3.36Å; I984-A988 PolarHBondContact O-N 2.86Å; I985-A988 PolarHBondContact O-N 2.89Å; A988-F992 WeakPolarHBondContact O-CB 3.41Å; A988-F992 PolarHBondContact O-N 3.05Å
989W94.8Very high92Very high66 Ų6640.4 Ų40.425%0.2523%0.225CC..Hα-helixtrans-61.7-48.8177.8178.9-99.9000112.2I985 C991 F992 A993 Y1289 S1293 V1297 L1300 F1391I985-W989 WeakPolarHBondContact O-CB 3.41Å; I985-W989 PolarHBondContact O-N 2.83Å; W989-C991 PolarHBondContact O-N 2.81Å; W989-F992 HydrophobicContact CZ3-CD1 4.48Å; W989-F992 PolarHBondContact O-N 3.36Å; W989-A993 WeakPolarHBondContact O-CB 3.39Å; W989-A993 PolarHBondContact O-N 3.25Å; W989-Y1289 AromaticContact CD1-CZ 3.88Å; W989-S1293 PolarHBondContact NE1-OG 3.18Å; W989-V1297 HydrophobicContact CZ2-CG2 4.41Å; W989-L1300 HydrophobicContact CH2-CD1 3.96Å; W989-F1391 AromaticContact CE2-CE1 3.65Å; W989-F1391 AromaticContact CE2-CZ 3.78Å; W989-F1391 HydrophobicContact CH2-CZ 4.04Å; W989-F1391 AromaticContact CZ2-CE1 3.76Å; W989-F1391 HydrophobicContact CZ2-CE1 3.76Å; W989-F1391 HydrophobicContact CZ2-CE2 4.29Å; W989-F1391 AromaticContact CZ2-CZ 3.37Å; W989-F1391 HydrophobicContact CZ2-CZ 3.37Å; W989-F1391 AromaticContact NE1-CE1 3.51Å
990I93.6Very high91.3Very high32 Ų3240.1 Ų40.116%0.16423%0.23CC..Hα-helixtrans-69.4-33.9-175.4-156.667000112.9S986 A994 Y1289 I1292S986-I990 WeakPolarHBondContact O-CB 3.36Å; S986-I990 WeakPolarHBondContact O-CG2 3.43Å; S986-I990 PolarHBondContact O-N 3.12Å; I990-A994 VanDerWaalsContact O-CB 3.25Å; I990-A994 WeakPolarHBondContact O-CB 3.41Å; I990-A994 PolarHBondContact O-N 3.26Å; I990-Y1289 HydrophobicContact CB-CD2 4.29Å; I990-Y1289 HydrophobicContact CB-CE2 3.88Å; I990-Y1289 HydrophobicContact CD1-CD2 3.75Å; I990-Y1289 HydrophobicContact CD1-CE2 4.01Å; I990-Y1289 HydrophobicContact CD1-CG 4.19Å; I990-Y1289 HydrophobicContact CG1-CD2 4.11Å; I990-Y1289 HydrophobicContact CG1-CE2 4.21Å; I990-I1292 HydrophobicContact CD1-CB 3.82Å; I990-I1292 HydrophobicContact CD1-CD1 4.3Å; I990-I1292 HydrophobicContact CD1-CG2 3.57Å; I990-I1292 HydrophobicContact CG1-CG2 4.47Å
991C94.4Very high90.8Very high12 Ų1240.6 Ų40.68%0.08123%0.231CC..Hα-helixtrans-71.9-37.3175.1-700000112.3F272 L987 W989 S995F272-C991 HydrophobicContact CB-CB 3.79Å; L987-C991 WeakPolarHBondContact O-CB 3.12Å; L987-C991 PolarHBondContact O-N 2.92Å; L987-C991 VanDerWaalsContact O-N 3.11Å; L987-C991 PolarHBondContact O-SG 2.92Å; L987-C991 VanDerWaalsContact O-SG 3.38Å; W989-C991 PolarHBondContact O-N 2.81Å; C991-S995 WeakPolarHBondContact O-CB 3.18Å; C991-S995 PolarHBondContact O-N 3.09Å; C991-S995 PolarHBondContact O-OG 2.8Å
992F93.7Very high90.2Very high85 Ų8543.5 Ų43.537%0.37324%0.238SC..Hα-helixtrans-64.9-49.7170.5175.5-107.9000110.9A988 W989 A994 S995 I996 L1300A988-F992 WeakPolarHBondContact O-CB 3.41Å; A988-F992 PolarHBondContact O-N 3.05Å; W989-F992 HydrophobicContact CZ3-CD1 4.48Å; W989-F992 PolarHBondContact O-N 3.36Å; F992-A994 PolarHBondContact O-N 2.89Å; F992-S995 PolarHBondContact O-N 2.94Å; F992-S995 PolarHBondContact O-OG 3.1Å; F992-I996 HydrophobicContact CD2-CG2 4.4Å; F992-I996 HydrophobicContact CE1-CD1 4.18Å; F992-I996 HydrophobicContact CE2-CG2 3.96Å; F992-I996 HydrophobicContact CZ-CD1 4.34Å; F992-I996 HydrophobicContact CZ-CG2 4.16Å; F992-I996 PolarHBondContact O-N 3.37Å; F992-L1300 HydrophobicContact CE1-CD1 4.27Å; F992-L1300 HydrophobicContact CE1-CD2 4.13Å; F992-L1300 HydrophobicContact CZ-CD2 4.14Å
993A94.1Very high89.4Confident0 Ų045 Ų450%025%0.245CC..Hα-helixtrans-56.2-50.6179.600000111.9W989 S995 I996 L997 I1292 A1296W989-A993 WeakPolarHBondContact O-CB 3.39Å; W989-A993 PolarHBondContact O-N 3.25Å; A993-S995 VanDerWaalsContact C-N 3.3Å; A993-S995 PolarHBondContact O-N 2.86Å; A993-I996 WeakPolarHBondContact O-CG1 3.41Å; A993-L997 WeakPolarHBondContact O-CG 3.47Å; A993-I1292 HydrophobicContact CB-CG2 3.86Å; A993-A1296 HydrophobicContact CB-CB 3.47Å; A993-A1296 VanDerWaalsContact CB-CB 3.47Å
994A92Very high88.8Confident48 Ų4845 Ų4540%0.39725%0.246SC..Hα-helixtrans-65.9-27.9-179.800000113.9I990 F992I990-A994 VanDerWaalsContact O-CB 3.25Å; I990-A994 WeakPolarHBondContact O-CB 3.41Å; I990-A994 PolarHBondContact O-N 3.26Å; F992-A994 PolarHBondContact O-N 2.89Å
995S91.7Very high88.1Confident11 Ų1142.7 Ų42.78%0.07723%0.234CC..Hα-helixtrans-83.8-21.1-177.1520000114.7W264 C991 F992 A993W264-S995 WeakPolarHBondContact CB-O 3.18Å; W264-S995 WeakPolarHBondContact O-CB 3.36Å; C991-S995 WeakPolarHBondContact O-CB 3.18Å; C991-S995 PolarHBondContact O-N 3.09Å; C991-S995 PolarHBondContact O-OG 2.8Å; F992-S995 PolarHBondContact O-N 2.94Å; F992-S995 PolarHBondContact O-OG 3.1Å; A993-S995 VanDerWaalsContact C-N 3.3Å; A993-S995 PolarHBondContact O-N 2.86Å
996I91.9Very high87.5Confident24 Ų2439.6 Ų39.612%0.12322%0.219CC..Hα-helixtrans-86.5-17.817665.7173.5000114.1F992 A993 G1000 A1296 V1299 L1300F992-I996 HydrophobicContact CD2-CG2 4.4Å; F992-I996 HydrophobicContact CE1-CD1 4.18Å; F992-I996 HydrophobicContact CE2-CG2 3.96Å; F992-I996 HydrophobicContact CZ-CD1 4.34Å; F992-I996 HydrophobicContact CZ-CG2 4.16Å; F992-I996 PolarHBondContact O-N 3.37Å; A993-I996 WeakPolarHBondContact O-CG1 3.41Å; I996-G1000 WeakPolarHBondContact O-CA 3.35Å; I996-G1000 PolarHBondContact O-N 3.15Å; I996-A1296 HydrophobicContact CD1-CB 4.06Å; I996-A1296 HydrophobicContact CG1-CB 4.38Å; I996-V1299 HydrophobicContact CB-CG1 4.33Å; I996-V1299 HydrophobicContact CD1-CB 3.98Å; I996-V1299 HydrophobicContact CD1-CG1 4.05Å; I996-V1299 HydrophobicContact CG1-CB 4.34Å; I996-V1299 HydrophobicContact CG1-CG1 4.33Å; I996-L1300 HydrophobicContact CD1-CD2 4.07Å; I996-L1300 HydrophobicContact CD1-CG 3.95Å
997L89.5Confident87Confident32 Ų3242.3 Ų42.317%0.16823%0.231CC..Hα-helixtrans-61.3-49.3-176.4-55.9-177000114.6A993 N999 G1000 L1001 I1292 S1295 A1296 V1299A993-L997 WeakPolarHBondContact O-CG 3.47Å; L997-N999 VanDerWaalsContact C-N 3.32Å; L997-N999 PolarHBondContact O-N 2.77Å; L997-G1000 PolarHBondContact O-N 3.45Å; L997-L1001 HydrophobicContact CB-CD1 3.98Å; L997-L1001 HydrophobicContact CB-CG 4.48Å; L997-L1001 HydrophobicContact CD2-CD1 4.25Å; L997-L1001 HydrophobicContact CD2-CG 4.46Å; L997-L1001 WeakPolarHBondContact O-CB 3.29Å; L997-L1001 WeakPolarHBondContact O-CG 3.39Å; L997-L1001 PolarHBondContact O-N 2.67Å; L997-I1292 HydrophobicContact CD1-CG2 4.46Å; L997-S1295 VanDerWaalsContact CD2-C 3.44Å; L997-S1295 WeakPolarHBondContact CD2-O 3.04Å; L997-A1296 HydrophobicContact CD2-CB 4.35Å; L997-V1299 HydrophobicContact CD2-CG2 4.19Å
998P84.9Confident86.6Confident60 Ų6043 Ų4339%0.3923%0.233SC..Hα-helixtrans-65.6-33.5-164.6-25.137.1000114.1W264W264-P998 HydrophobicContact CB-CG 4.35Å; W264-P998 HydrophobicContact CD2-CB 3.92Å; W264-P998 HydrophobicContact CD2-CG 3.68Å; W264-P998 HydrophobicContact CE3-CG 4.07Å; W264-P998 HydrophobicContact CG-CB 3.92Å; W264-P998 HydrophobicContact CG-CG 3.8Å; W264-P998 HydrophobicContact CZ2-CB 4.26Å
999N78.8Confident86.1Confident70 Ų7043 Ų4337%0.37423%0.228SC..Hα-helixtrans-109-11.3-178.9-68.2-3.4000113.2P255 D262 L997P255-N999 WeakPolarHBondContact CB-ND2 3.45Å; D262-N999 PolarHBondContact OD1-ND2 3.38Å; D262-N999 PolarHBondContact OD2-ND2 3.15Å; L997-N999 VanDerWaalsContact C-N 3.32Å; L997-N999 PolarHBondContact O-N 2.77Å
1000G77.8Confident85.5Confident19 Ų1941 Ų4120%0.19622%0.224CC..Hα-helixtrans-97.5-18-179.400000115.6I996 L997 H1002I996-G1000 WeakPolarHBondContact O-CA 3.35Å; I996-G1000 PolarHBondContact O-N 3.15Å; L997-G1000 PolarHBondContact O-N 3.45Å; G1000-H1002 PolarHBondContact O-N 3.44Å; G1000-H1002 VanDerWaalsContact O-N 3.08Å
1001L79.7Confident85.1Confident37 Ų3739.6 Ų39.619%0.19422%0.216CC..  trans-80.285.2178.5-73.2173000111.8L997 L1003 M1298 V1299L997-L1001 HydrophobicContact CB-CD1 3.98Å; L997-L1001 HydrophobicContact CB-CG 4.48Å; L997-L1001 HydrophobicContact CD2-CD1 4.25Å; L997-L1001 HydrophobicContact CD2-CG 4.46Å; L997-L1001 WeakPolarHBondContact O-CB 3.29Å; L997-L1001 WeakPolarHBondContact O-CG 3.39Å; L997-L1001 PolarHBondContact O-N 2.67Å; L1001-L1003 PolarHBondContact O-N 2.94Å; L1001-M1298 HydrophobicContact CD2-CB 4.34Å; L1001-M1298 HydrophobicContact CD2-CE 4.41Å; L1001-V1299 HydrophobicContact CD2-CG2 3.7Å; L1001-V1299 HydrophobicContact CG-CG2 3.84Å
1002H80.2Confident84.6Confident124 Ų12439 Ų3957%0.57421%0.212SC*.  trans-59.3128.5169.4-69.3-82.9000111.1G1000 I1004 T1304 L1305G1000-H1002 PolarHBondContact O-N 3.44Å; G1000-H1002 VanDerWaalsContact O-N 3.08Å; H1002-I1004 PolarHBondContact O-N 2.86Å; H1002-T1304 HydrophobicContact CB-CG2 4.06Å; H1002-T1304 CarbonylContact O-C 3.56Å; H1002-T1304 VanDerWaalsContact O-CA 3.32Å; H1002-T1304 WeakPolarHBondContact O-CA 3.32Å; H1002-T1304 VanDerWaalsContact O-CB 3.31Å; H1002-T1304 WeakPolarHBondContact O-CB 3.26Å; H1002-L1305 PolarHBondContact O-N 3.42Å
1003L78.1Confident84.2Confident60 Ų6038.6 Ų38.631%0.31422%0.217SC..  trans-91.79.5-164-66.2176.7000116.1L1001 Y1247 L1250 L1305L1001-L1003 PolarHBondContact O-N 2.94Å; L1003-Y1247 WeakPolarHBondContact O-CD1 3.32Å; L1003-Y1247 WeakPolarHBondContact O-CE1 3.42Å; L1003-L1250 WeakPolarHBondContact O-CD2 3.39Å; L1003-L1305 CarbonylContact C-O 3.45Å; L1003-L1305 WeakPolarHBondContact CA-O 3.17Å; L1003-L1305 HydrophobicContact CD2-CB 4.32Å; L1003-L1305 HydrophobicContact CD2-CD2 3.87Å; L1003-L1305 HydrophobicContact CD2-CG 4.48Å
1004I79.4Confident83.9Confident10 Ų1043.9 Ų43.95%0.05125%0.245CC..  trans-136.7138.7-163.8-44.4175.5000111.5H1002 P1196 D1197 V1200 Y1244 Y1247 T1304H1002-I1004 PolarHBondContact O-N 2.86Å; I1004-P1196 HydrophobicContact CB-CB 3.79Å; I1004-P1196 HydrophobicContact CD1-CB 4.26Å; I1004-P1196 WeakPolarHBondContact CD1-O 3.21Å; I1004-P1196 HydrophobicContact CG2-CB 3.47Å; I1004-P1196 VanDerWaalsContact CG2-CB 3.47Å; I1004-D1197 HydrophobicContact CD1-CB 4.42Å; I1004-D1197 WeakPolarHBondContact CD1-OD1 3.31Å; I1004-V1200 HydrophobicContact CD1-CB 4.24Å; I1004-V1200 HydrophobicContact CD1-CG2 3.65Å; I1004-V1200 HydrophobicContact CG1-CG2 4.36Å; I1004-Y1244 HydrophobicContact CG2-CD1 4.23Å; I1004-Y1244 HydrophobicContact CG2-CE1 3.91Å; I1004-Y1247 HydrophobicContact CG1-CG 4.31Å; I1004-Y1247 HydrophobicContact CG2-CD2 3.92Å; I1004-Y1247 HydrophobicContact CG2-CE1 4.35Å; I1004-Y1247 HydrophobicContact CG2-CE2 3.72Å; I1004-Y1247 HydrophobicContact CG2-CG 4.33Å; I1004-T1304 WeakPolarHBondContact O-CB 3.46Å; I1004-T1304 VanDerWaalsContact O-CG2 3.29Å; I1004-T1304 WeakPolarHBondContact O-CG2 3.42Å; I1004-T1304 PolarHBondContact O-OG1 2.99Å
1005L80Confident83.8Confident27 Ų2741.9 Ų41.914%0.14123%0.228CC..  trans-81.4127.5169.1-179.163.1000110.5L1009 Y1247 N1306 F1380L1005-L1009 HydrophobicContact CD1-CB 4.28Å; L1005-L1009 HydrophobicContact CD1-CD1 4.28Å; L1005-Y1247 WeakPolarHBondContact CB-OH 3.34Å; L1005-Y1247 PolarHBondContact N-OH 3.27Å; L1005-N1306 HydrophobicContact CB-CB 4.23Å; L1005-F1380 HydrophobicContact CD1-CE2 3.57Å; L1005-F1380 HydrophobicContact CD1-CZ 3.62Å
1006D81.3Confident83.8Confident51 Ų5143.2 Ų43.227%0.27323%0.232SC..  trans-77.5126.4167.2177.94.4000110.1K1008 L1009 P1196D1006-K1008 PolarHBondContact O-N 2.95Å; D1006-K1008 VanDerWaalsContact O-N 3.17Å; D1006-K1008 WeakPolarHBondContact OD1-CB 3.4Å; D1006-K1008 WeakPolarHBondContact OD1-CG 3.27Å; D1006-K1008 PolarHBondContact OD1-N 3.16Å; D1006-L1009 HydrophobicContact CB-CD1 4.17Å; D1006-L1009 HydrophobicContact CB-CG 4.15Å; D1006-L1009 WeakPolarHBondContact O-CB 3.24Å; D1006-L1009 PolarHBondContact O-N 3.43Å; D1006-P1196 HydrophobicContact CB-CG 3.93Å
1007Q83.7Confident83.8Confident60 Ų6042.2 Ų42.228%0.2823%0.227SC..G310 helixtrans-60-20.2176.365.9-171-4.100113.7L1009 S1010 F1021Q1007-L1009 PolarHBondContact O-N 3.47Å; Q1007-S1010 PolarHBondContact O-OG 2.97Å; Q1007-S1010 VanDerWaalsContact O-OG 3.06Å; Q1007-F1021 HydrophobicContact CB-CZ 4.4Å; Q1007-F1021 HydrophobicContact CG-CD2 4.46Å; Q1007-F1021 HydrophobicContact CG-CE1 4.19Å; Q1007-F1021 HydrophobicContact CG-CE2 4.06Å; Q1007-F1021 HydrophobicContact CG-CZ 3.92Å
1008K85Confident84Confident38 Ų3841.6 Ų41.617%0.16522%0.223CC..G310 helixtrans-70.6-12.8171.7-58.9-179.4-177.5-169.40113.3D1006 L1018 F1021 N1022 D1025D1006-K1008 PolarHBondContact O-N 2.95Å; D1006-K1008 VanDerWaalsContact O-N 3.17Å; D1006-K1008 WeakPolarHBondContact OD1-CB 3.4Å; D1006-K1008 WeakPolarHBondContact OD1-CG 3.27Å; D1006-K1008 PolarHBondContact OD1-N 3.16Å; K1008-L1018 HydrophobicContact CB-CD2 4Å; K1008-L1018 HydrophobicContact CG-CD2 4.44Å; K1008-F1021 HydrophobicContact CD-CB 4.43Å; K1008-F1021 HydrophobicContact CG-CB 4.16Å; K1008-F1021 HydrophobicContact CG-CD2 3.92Å; K1008-F1021 HydrophobicContact CG-CG 4.37Å; K1008-N1022 PolarHBondContact NZ-OD1 3.5Å; K1008-D1025 IonicContact NZ-OD2 2.74Å; K1008-D1025 PolarHBondContact NZ-OD2 2.95Å
1009L83.7Confident84.3Confident38 Ų3842.5 Ų42.520%0.19923%0.225CC..G310 helixtrans-90-22.3178.9-62176.5000113.8L1005 D1006 Q1007 M1011 I1379 F1380L1005-L1009 HydrophobicContact CD1-CB 4.28Å; L1005-L1009 HydrophobicContact CD1-CD1 4.28Å; D1006-L1009 HydrophobicContact CB-CD1 4.17Å; D1006-L1009 HydrophobicContact CB-CG 4.15Å; D1006-L1009 WeakPolarHBondContact O-CB 3.24Å; D1006-L1009 PolarHBondContact O-N 3.43Å; Q1007-L1009 PolarHBondContact O-N 3.47Å; L1009-M1011 VanDerWaalsContact C-N 3.33Å; L1009-I1379 HydrophobicContact CD2-CD1 3.99Å; L1009-F1380 HydrophobicContact CD1-CE2 4.44Å; L1009-F1380 HydrophobicContact CD1-CZ 4.47Å
1010S81.6Confident85.1Confident24 Ų2440.1 Ų40.117%0.16821%0.211CC..THydrogen-bonded Turntrans-80.5-14.6172.949.50000113.3Q1007Q1007-S1010 PolarHBondContact O-OG 2.97Å; Q1007-S1010 VanDerWaalsContact O-OG 3.06Å
1011M85.2Confident85.7Confident1 Ų139.9 Ų39.91%0.00520%0.204CC..SBendtrans-82.7145177.4-62.2-57.2174.900112.8V624 E627 L1009 M1017 L1018 F1021V624-M1011 HydrophobicContact CB-CE 4.29Å; V624-M1011 HydrophobicContact CG1-CE 4.05Å; V624-M1011 HydrophobicContact CG2-CE 3.98Å; E627-M1011 HydrophobicContact CB-SD 4.05Å; L1009-M1011 VanDerWaalsContact C-N 3.33Å; M1011-M1017 HydrophobicContact CE-CB 3.9Å; M1011-M1017 HydrophobicContact CE-CE 4.23Å; M1011-M1017 HydrophobicContact CE-CG 3.99Å; M1011-M1017 HydrophobicContact CG-CB 3.92Å; M1011-M1017 HydrophobicContact SD-CB 3.75Å; M1011-M1017 HydrophobicContact SD-CG 3.99Å; M1011-L1018 HydrophobicContact CB-CD2 3.98Å; M1011-L1018 HydrophobicContact CB-CG 4.22Å; M1011-F1021 HydrophobicContact CE-CE2 3.73Å; M1011-F1021 HydrophobicContact CE-CZ 3.82Å; M1011-F1021 HydrophobicContact CG-CE2 3.84Å
1012P85.3Confident86.3Confident0 Ų041.7 Ų41.70%022%0.215CC..  trans-54.7152.3166-25.834000114.2R630 Q631 D1014 S1015 L1018R630-P1012 VanDerWaalsContact NH2-CB 3.33Å; Q631-P1012 HydrophobicContact CB-CG 4.15Å; Q631-P1012 VanDerWaalsContact NE2-CA 3.34Å; P1012-D1014 WeakPolarHBondContact CB-OD1 3.32Å; P1012-D1014 PolarHBondContact O-N 3.41Å; P1012-S1015 WeakPolarHBondContact O-CB 3.18Å; P1012-S1015 PolarHBondContact O-N 3.23Å; P1012-S1015 VanDerWaalsContact O-N 3.13Å; P1012-L1018 VanDerWaalsContact O-CD1 3.28Å; P1012-L1018 WeakPolarHBondContact O-CD1 3.41Å
1013T83.9Confident86.9Confident77 Ų7736.1 Ų36.147%0.47219%0.19SC..THydrogen-bonded Turntrans-65.5-22.8179.347.30000113.9R1375T1013-R1375 HydrophobicContact CG2-CG 3.95Å
1014D87.9Confident87.5Confident111 Ų11134.6 Ų34.659%0.59418%0.182SC*.THydrogen-bonded Turntrans-100.98.8177.664.2-12.3000112.9R630 P1012R630-D1014 IonicContact CZ-OD1 3.87Å; R630-D1014 IonicContact CZ-OD2 3.76Å; R630-D1014 IonicContact NH1-OD1 3.67Å; R630-D1014 PolarHBondContact NH1-OD1 2.86Å; R630-D1014 IonicContact NH1-OD2 2.68Å; R630-D1014 PolarHBondContact NH1-OD2 2.96Å; R630-D1014 IonicContact NH2-OD1 3.67Å; R630-D1014 PolarHBondContact NH2-OD1 3.26Å; R630-D1014 IonicContact NH2-OD2 3.58Å; P1012-D1014 WeakPolarHBondContact CB-OD1 3.32Å; P1012-D1014 PolarHBondContact O-N 3.41Å
1015S90.1Very high88Confident5 Ų535.3 Ų35.34%0.03519%0.186CC..  trans-74.6132.4-173.2-170.60000113.5E627 P1012 M1017 L1018E627-S1015 WeakPolarHBondContact OE2-CA 3.32Å; E627-S1015 WeakPolarHBondContact OE2-CB 3.3Å; E627-S1015 PolarHBondContact OE2-OG 3.21Å; P1012-S1015 WeakPolarHBondContact O-CB 3.18Å; P1012-S1015 PolarHBondContact O-N 3.23Å; P1012-S1015 VanDerWaalsContact O-N 3.13Å; S1015-M1017 PolarHBondContact O-N 3.14Å; S1015-M1017 WeakPolarHBondContact OG-CB 3.09Å; S1015-M1017 PolarHBondContact OG-N 2.99Å; S1015-L1018 WeakPolarHBondContact O-CB 3.29Å; S1015-L1018 PolarHBondContact O-N 3.04Å
1016Y92.6Very high88.5Confident40 Ų4039 Ų3916%0.15721%0.205CC..Hα-helixtrans-62.8-19.2169.767.2-84.5000112.8L601 Y618 S623 E627 L1018 D1019 Y1020L601-Y1016 HydrophobicContact CD2-CE2 4.23Å; Y618-Y1016 AromaticContact CD2-CD2 3.94Å; Y618-Y1016 HydrophobicContact CD2-CD2 3.94Å; Y618-Y1016 HydrophobicContact CD2-CE2 4Å; Y618-Y1016 HydrophobicContact CE1-CD2 4.32Å; Y618-Y1016 AromaticContact CE2-CD2 3.43Å; Y618-Y1016 HydrophobicContact CE2-CD2 3.43Å; Y618-Y1016 VanDerWaalsContact CE2-CD2 3.43Å; Y618-Y1016 AromaticContact CE2-CE2 3.55Å; Y618-Y1016 HydrophobicContact CE2-CE2 3.55Å; Y618-Y1016 HydrophobicContact CE2-CG 4.12Å; Y618-Y1016 AromaticContact CZ-CD2 3.65Å; Y618-Y1016 AromaticContact CZ-CG 3.91Å; S623-Y1016 WeakPolarHBondContact CB-OH 3.45Å; S623-Y1016 PolarHBondContact OG-OH 3.42Å; E627-Y1016 HydrophobicContact CG-CE1 3.93Å; Y1016-L1018 PolarHBondContact O-N 3.26Å; Y1016-D1019 WeakPolarHBondContact O-CB 3.48Å; Y1016-D1019 PolarHBondContact O-N 2.97Å; Y1016-Y1020 PolarHBondContact O-N 3.35Å; Y1016-Y1020 VanDerWaalsContact O-N 3.12Å
1017M92.3Very high88.9Confident2 Ų237.2 Ų37.21%0.0120%0.196CC..Hα-helixtrans-66.2-24.2173.2-66.5-58.5-6400112.6T619 S623 V624 E627 M1011 S1015 Y1020 F1021T619-M1017 WeakPolarHBondContact OG1-CE 3.4Å; S623-M1017 VanDerWaalsContact CB-SD 3.54Å; V624-M1017 HydrophobicContact CG2-CE 4.05Å; E627-M1017 HydrophobicContact CG-CG 4.21Å; M1011-M1017 HydrophobicContact CE-CB 3.9Å; M1011-M1017 HydrophobicContact CE-CE 4.23Å; M1011-M1017 HydrophobicContact CE-CG 3.99Å; M1011-M1017 HydrophobicContact CG-CB 3.92Å; M1011-M1017 HydrophobicContact SD-CB 3.75Å; M1011-M1017 HydrophobicContact SD-CG 3.99Å; S1015-M1017 PolarHBondContact O-N 3.14Å; S1015-M1017 WeakPolarHBondContact OG-CB 3.09Å; S1015-M1017 PolarHBondContact OG-N 2.99Å; M1017-Y1020 HydrophobicContact CE-CD1 4Å; M1017-Y1020 PolarHBondContact O-N 2.86Å; M1017-F1021 HydrophobicContact CB-CE2 4.28Å; M1017-F1021 HydrophobicContact CE-CE1 4.23Å; M1017-F1021 HydrophobicContact CE-CZ 4.01Å; M1017-F1021 WeakPolarHBondContact O-CD2 3.47Å; M1017-F1021 WeakPolarHBondContact O-CG 3.41Å; M1017-F1021 PolarHBondContact O-N 3.09Å
1018L92.1Very high89.2Confident19 Ų1935 Ų3510%0.09919%0.186CC..Hα-helixtrans-71.4-40173.1-64179.5000111.7K1008 M1011 P1012 S1015 Y1016 Y1020 N1022K1008-L1018 HydrophobicContact CB-CD2 4Å; K1008-L1018 HydrophobicContact CG-CD2 4.44Å; M1011-L1018 HydrophobicContact CB-CD2 3.98Å; M1011-L1018 HydrophobicContact CB-CG 4.22Å; P1012-L1018 VanDerWaalsContact O-CD1 3.28Å; P1012-L1018 WeakPolarHBondContact O-CD1 3.41Å; S1015-L1018 WeakPolarHBondContact O-CB 3.29Å; S1015-L1018 PolarHBondContact O-N 3.04Å; Y1016-L1018 PolarHBondContact O-N 3.26Å; L1018-Y1020 VanDerWaalsContact C-N 3.26Å; L1018-Y1020 PolarHBondContact O-N 3.1Å; L1018-N1022 VanDerWaalsContact O-CB 3.32Å; L1018-N1022 WeakPolarHBondContact O-CB 3.13Å; L1018-N1022 PolarHBondContact O-N 3.33Å; L1018-N1022 VanDerWaalsContact O-N 3.08Å; L1018-N1022 PolarHBondContact O-ND2 3.13Å; L1018-N1022 VanDerWaalsContact O-ND2 3.08Å
1019D92.6Very high89.3Confident79 Ų7936.3 Ų36.342%0.42219%0.19SC..Hα-helixtrans-58.8-40.9170-77-2.8000110.6K608 S617 Y1016 A1023K608-D1019 IonicContact NZ-OD2 2.68Å; K608-D1019 PolarHBondContact NZ-OD2 3.31Å; S617-D1019 VanDerWaalsContact OG-C 3.28Å; S617-D1019 PolarHBondContact OG-O 2.95Å; Y1016-D1019 WeakPolarHBondContact O-CB 3.48Å; Y1016-D1019 PolarHBondContact O-N 2.97Å; D1019-A1023 WeakPolarHBondContact O-CB 3.47Å; D1019-A1023 PolarHBondContact O-N 2.85Å
1020Y94.1Very high89.5Confident21 Ų2135 Ų358%0.08218%0.184CC..Hα-helixtrans-67-52.6179.2177.7-103.2000113Q414 I416 T619 Y1016 M1017 L1018 N1022 A1023 L1024Q414-Y1020 HydrophobicContact CB-CE2 4.46Å; Q414-Y1020 HydrophobicContact CG-CE2 4.44Å; Q414-Y1020 PolarHBondContact OE1-OH 2.81Å; I416-Y1020 HydrophobicContact CD1-CE2 4.32Å; T619-Y1020 HydrophobicContact CG2-CD1 4.38Å; T619-Y1020 HydrophobicContact CG2-CD2 4.29Å; T619-Y1020 HydrophobicContact CG2-CE1 3.81Å; T619-Y1020 HydrophobicContact CG2-CE2 3.7Å; T619-Y1020 VanDerWaalsContact CG2-CZ 3.42Å; Y1016-Y1020 PolarHBondContact O-N 3.35Å; Y1016-Y1020 VanDerWaalsContact O-N 3.12Å; M1017-Y1020 HydrophobicContact CE-CD1 4Å; M1017-Y1020 PolarHBondContact O-N 2.86Å; L1018-Y1020 VanDerWaalsContact C-N 3.26Å; L1018-Y1020 PolarHBondContact O-N 3.1Å; Y1020-N1022 VanDerWaalsContact C-N 3.25Å; Y1020-N1022 PolarHBondContact O-N 3.37Å; Y1020-A1023 PolarHBondContact O-N 3.08Å; Y1020-L1024 HydrophobicContact CE1-CD1 4.19Å; Y1020-L1024 PolarHBondContact O-N 2.87Å
1021F91.7Very high90Very high13 Ų1334.5 Ų34.56%0.05718%0.182CC..Hα-helixtrans-62.8-32.8178.6-62.5-46.6000112.6Q1007 K1008 M1011 M1017 L1024 D1025Q1007-F1021 HydrophobicContact CB-CZ 4.4Å; Q1007-F1021 HydrophobicContact CG-CD2 4.46Å; Q1007-F1021 HydrophobicContact CG-CE1 4.19Å; Q1007-F1021 HydrophobicContact CG-CE2 4.06Å; Q1007-F1021 HydrophobicContact CG-CZ 3.92Å; K1008-F1021 HydrophobicContact CD-CB 4.43Å; K1008-F1021 HydrophobicContact CG-CB 4.16Å; K1008-F1021 HydrophobicContact CG-CD2 3.92Å; K1008-F1021 HydrophobicContact CG-CG 4.37Å; M1011-F1021 HydrophobicContact CE-CE2 3.73Å; M1011-F1021 HydrophobicContact CE-CZ 3.82Å; M1011-F1021 HydrophobicContact CG-CE2 3.84Å; M1017-F1021 HydrophobicContact CB-CE2 4.28Å; M1017-F1021 HydrophobicContact CE-CE1 4.23Å; M1017-F1021 HydrophobicContact CE-CZ 4.01Å; M1017-F1021 WeakPolarHBondContact O-CD2 3.47Å; M1017-F1021 WeakPolarHBondContact O-CG 3.41Å; M1017-F1021 PolarHBondContact O-N 3.09Å; F1021-L1024 PolarHBondContact O-N 3.34Å; F1021-D1025 PolarHBondContact O-N 3.12Å; F1021-D1025 VanDerWaalsContact O-N 3.14Å
1022N92.1Very high90.3Very high76 Ų7636.1 Ų36.141%0.40619%0.192SC..Hα-helixtrans-73.4-27175.2-68.4-24.6000113K1008 L1018 Y1020 N1026K1008-N1022 PolarHBondContact NZ-OD1 3.5Å; L1018-N1022 VanDerWaalsContact O-CB 3.32Å; L1018-N1022 WeakPolarHBondContact O-CB 3.13Å; L1018-N1022 PolarHBondContact O-N 3.33Å; L1018-N1022 VanDerWaalsContact O-N 3.08Å; L1018-N1022 PolarHBondContact O-ND2 3.13Å; L1018-N1022 VanDerWaalsContact O-ND2 3.08Å; Y1020-N1022 VanDerWaalsContact C-N 3.25Å; Y1020-N1022 PolarHBondContact O-N 3.37Å; N1022-N1026 PolarHBondContact O-ND2 2.81Å
1023A92.5Very high90.7Very high6 Ų637 Ų375%0.0520%0.198CC..Hα-helixtrans-73.7-42.4169.500000111.2I416 D1019 Y1020 D1025 N1026 D1027I416-A1023 HydrophobicContact CB-CB 4.27Å; I416-A1023 HydrophobicContact CD1-CB 3.86Å; I416-A1023 HydrophobicContact CG2-CB 4.21Å; D1019-A1023 WeakPolarHBondContact O-CB 3.47Å; D1019-A1023 PolarHBondContact O-N 2.85Å; Y1020-A1023 PolarHBondContact O-N 3.08Å; A1023-D1025 VanDerWaalsContact C-N 3.29Å; A1023-D1025 PolarHBondContact O-N 3.28Å; A1023-N1026 PolarHBondContact O-N 3.12Å; A1023-N1026 VanDerWaalsContact O-N 3.07Å; A1023-D1027 WeakPolarHBondContact O-CB 3.33Å; A1023-D1027 PolarHBondContact O-N 2.95Å
1024L91Very high91.2Very high29 Ų2933.3 Ų33.315%0.15218%0.176CC..Hα-helixtrans-55.2-42.2175.8-172.2154.8000112.1Y1020 F1021 N1026 L1028 V1192Y1020-L1024 HydrophobicContact CE1-CD1 4.19Å; Y1020-L1024 PolarHBondContact O-N 2.87Å; F1021-L1024 PolarHBondContact O-N 3.34Å; L1024-N1026 VanDerWaalsContact C-N 3.33Å; L1024-N1026 PolarHBondContact O-N 3.49Å; L1024-L1028 HydrophobicContact CG-CD2 4.05Å; L1024-L1028 WeakPolarHBondContact O-CB 3.41Å; L1024-V1192 HydrophobicContact CD2-CG1 4.29Å
1025D89.7Confident91.6Very high25 Ų2528.5 Ų28.513%0.13415%0.149CC..Hα-helixtrans-66-27.5177.4-78.2-28.9000114.7K1008 F1021 A1023 K1194K1008-D1025 IonicContact NZ-OD2 2.74Å; K1008-D1025 PolarHBondContact NZ-OD2 2.95Å; F1021-D1025 PolarHBondContact O-N 3.12Å; F1021-D1025 VanDerWaalsContact O-N 3.14Å; A1023-D1025 VanDerWaalsContact C-N 3.29Å; A1023-D1025 PolarHBondContact O-N 3.28Å; D1025-K1194 WeakPolarHBondContact O-CD 3.46Å; D1025-K1194 WeakPolarHBondContact O-CE 3.17Å; D1025-K1194 PolarHBondContact O-NZ 3.42Å; D1025-K1194 WeakPolarHBondContact OD1-CA 3.35Å; D1025-K1194 WeakPolarHBondContact OD1-CB 3.42Å
1026N89.4Confident91.8Very high103 Ų10328.3 Ų28.355%0.55115%0.148SC*.Hα-helixtrans-111.1-46-168.3-71.9-64000112.9N1022 A1023 L1024 R1029N1022-N1026 PolarHBondContact O-ND2 2.81Å; A1023-N1026 PolarHBondContact O-N 3.12Å; A1023-N1026 VanDerWaalsContact O-N 3.07Å; L1024-N1026 VanDerWaalsContact C-N 3.33Å; L1024-N1026 PolarHBondContact O-N 3.49Å; N1026-R1029 PolarHBondContact O-NH1 3.49Å
1027D90.6Very high92Very high14 Ų1426.4 Ų26.48%0.07514%0.14CC..THydrogen-bonded Turntrans-93.7-35.6-169.7-59.4-51.9000111.9I416 R418 G560 S561 A572 A1023I416-D1027 HydrophobicContact CG2-CB 3.92Å; R418-D1027 IonicContact NE-OD2 3.58Å; G560-D1027 CarbonylContact C-O 3.56Å; G560-D1027 WeakPolarHBondContact CA-O 3.39Å; S561-D1027 PolarHBondContact N-O 3.38Å; A572-D1027 HydrophobicContact CB-CB 3.95Å; A1023-D1027 WeakPolarHBondContact O-CB 3.33Å; A1023-D1027 PolarHBondContact O-N 2.95Å
1028L90Very high92.1Very high14 Ų1426.3 Ų26.37%0.07314%0.14CC..  trans-71.3158-179.6-158.562.7000112V574 L1024 V1030V574-L1028 HydrophobicContact CG1-CD1 4.45Å; V574-L1028 HydrophobicContact CG2-CD1 3.99Å; L1024-L1028 HydrophobicContact CG-CD2 4.05Å; L1024-L1028 WeakPolarHBondContact O-CB 3.41Å; L1028-V1030 WeakPolarHBondContact CD2-O 3.41Å; L1028-V1030 WeakPolarHBondContact CG-O 3.47Å
1029R87.2Confident92Very high65 Ų6526.2 Ų26.225%0.24514%0.14CC..  trans-128.1-16.6-177.2-70.4-61-172.7-1016.2116.3S561 F562 N1026 V1192S561-R1029 VanDerWaalsContact C-NH2 3.33Å; S561-R1029 PolarHBondContact O-NH2 3.36Å; F562-R1029 HydrophobicContact CD1-CG 4.12Å; F562-R1029 HydrophobicContact CD2-CG 4.43Å; F562-R1029 HydrophobicContact CE1-CB 3.94Å; F562-R1029 HydrophobicContact CE1-CG 3.73Å; F562-R1029 HydrophobicContact CE2-CB 4.23Å; F562-R1029 HydrophobicContact CE2-CG 4.06Å; F562-R1029 HydrophobicContact CG-CG 4.45Å; F562-R1029 HydrophobicContact CZ-CB 3.61Å; F562-R1029 HydrophobicContact CZ-CG 3.69Å; F562-R1029 VanDerWaalsContact O-CZ 3.28Å; F562-R1029 PolarHBondContact O-NE 2.83Å; F562-R1029 PolarHBondContact O-NH2 3.49Å; N1026-R1029 PolarHBondContact O-NH1 3.49Å; R1029-V1192 VanDerWaalsContact C-CG2 3.43Å
1030V88.7Confident91.7Very high12 Ų1225.7 Ų25.77%0.07314%0.135CC..  trans-118.8155.4165.5-67.60000110.3Q556 V557 L1028 Y1189Q556-V1030 HydrophobicContact CB-CG1 3.79Å; V557-V1030 HydrophobicContact CG1-CG2 3.96Å; L1028-V1030 WeakPolarHBondContact CD2-O 3.41Å; L1028-V1030 WeakPolarHBondContact CG-O 3.47Å; V1030-Y1189 HydrophobicContact CB-CD1 4.36Å; V1030-Y1189 HydrophobicContact CB-CG 4.49Å; V1030-Y1189 HydrophobicContact CG2-CD1 4.19Å
1031G90.7Very high91Very high13 Ų1326.3 Ų26.313%0.13415%0.147CC..  trans-92.1-164.7170.500000112.3H1190 G1191G1031-H1190 PolarHBondContact N-O 3.25Å; G1031-G1191 WeakPolarHBondContact CA-O 3.35Å; G1031-G1191 PolarHBondContact N-O 2.99Å
1032P92.5Very high90.8Very high34 Ų3426.2 Ų26.222%0.22115%0.147CC..  trans-58.9149.9176.5-23.134.3000112.6H1190 F1240P1032-H1190 WeakPolarHBondContact O-CB 3.5Å; P1032-H1190 PolarHBondContact O-N 3.41Å; P1032-F1240 HydrophobicContact CB-CD1 4.02Å; P1032-F1240 HydrophobicContact CB-CE1 3.99Å; P1032-F1240 HydrophobicContact CG-CD1 3.88Å; P1032-F1240 HydrophobicContact CG-CE1 3.92Å
1033P93.3Very high90.5Very high18 Ų1826.3 Ų26.312%0.11715%0.148CC..EExtended strand (participates in β ladder)trans-66.4151.6172.729.4-35.3000111.5F409 Y1035 M1187 A1188 Y1189 S1238F409-P1033 HydrophobicContact CE2-CG 3.82Å; F409-P1033 HydrophobicContact CZ-CG 3.9Å; P1033-Y1035 HydrophobicContact CB-CE2 3.99Å; P1033-Y1035 HydrophobicContact CG-CE2 4.01Å; P1033-M1187 HydrophobicContact CB-CE 3.6Å; P1033-M1187 HydrophobicContact CG-CE 4.36Å; P1033-A1188 CarbonylContact C-O 3.6Å; P1033-A1188 WeakPolarHBondContact CA-O 3.29Å; P1033-Y1189 HydrophobicContact CB-CD1 4.24Å; P1033-Y1189 HydrophobicContact CB-CE1 4.11Å; P1033-S1238 VanDerWaalsContact O-CB 3.29Å; P1033-S1238 WeakPolarHBondContact O-CB 3.44Å; P1033-S1238 PolarHBondContact O-OG 3.06Å
1034V94.7Very high90.3Very high0 Ų026.3 Ų26.30%015%0.147CC..EExtended strand (participates in β ladder)trans-126.2130.1173.357.60000109.6F1036 A1188 P1236 Y1237 Y1241V1034-F1036 HydrophobicContact CG1-CE2 3.99Å; V1034-F1036 HydrophobicContact CG2-CD2 4.5Å; V1034-F1036 HydrophobicContact CG2-CE2 4.08Å; V1034-F1036 HydrophobicContact CG2-CZ 4.35Å; V1034-A1188 HydrophobicContact CG1-CB 4.13Å; V1034-A1188 PolarHBondContact N-O 3.36Å; V1034-A1188 PolarHBondContact O-N 3.36Å; V1034-P1236 HydrophobicContact CG2-CB 4.03Å; V1034-Y1237 WeakPolarHBondContact CA-O 3.46Å; V1034-Y1241 WeakPolarHBondContact CG2-OH 3.2Å
1035Y95.2Very high90.1Very high11 Ų1126.8 Ų26.84%0.04315%0.151CC..EExtended strand (participates in β ladder)trans-108.4111-177.7-61.1-87.2000108.8F402 F409 P1033 V1037 Y1185 M1187 P1236 Y1237F402-Y1035 HydrophobicContact CE2-CD1 4.3Å; F402-Y1035 HydrophobicContact CE2-CD2 4.27Å; F402-Y1035 AromaticContact CE2-CG 3.91Å; F402-Y1035 HydrophobicContact CE2-CG 3.91Å; F402-Y1035 HydrophobicContact CZ-CD2 4.42Å; F402-Y1035 HydrophobicContact CZ-CG 4.33Å; F409-Y1035 AromaticContact CD2-CE2 3.89Å; F409-Y1035 HydrophobicContact CD2-CE2 3.89Å; F409-Y1035 AromaticContact CE2-CE2 3.73Å; F409-Y1035 HydrophobicContact CE2-CE2 3.73Å; P1033-Y1035 HydrophobicContact CB-CE2 3.99Å; P1033-Y1035 HydrophobicContact CG-CE2 4.01Å; Y1035-V1037 PolarHBondContact O-N 2.71Å; Y1035-Y1185 HydrophobicContact CD1-CD1 4.17Å; Y1035-Y1185 AromaticContact CD1-CD2 3.62Å; Y1035-Y1185 HydrophobicContact CD1-CD2 3.62Å; Y1035-Y1185 HydrophobicContact CD1-CE1 4.32Å; Y1035-Y1185 AromaticContact CD1-CE2 3.83Å; Y1035-Y1185 HydrophobicContact CD1-CE2 3.83Å; Y1035-Y1185 AromaticContact CD1-CG 3.84Å; Y1035-Y1185 HydrophobicContact CD1-CG 3.84Å; Y1035-Y1185 HydrophobicContact CE1-CD2 4.2Å; Y1035-Y1185 AromaticContact CE1-CE2 3.92Å; Y1035-Y1185 HydrophobicContact CE1-CE2 3.92Å; Y1035-M1187 HydrophobicContact CD1-CB 3.99Å; Y1035-M1187 HydrophobicContact CD1-CG 4.04Å; Y1035-M1187 HydrophobicContact CE1-CB 3.9Å; Y1035-M1187 HydrophobicContact CE1-CE 4.42Å; Y1035-M1187 HydrophobicContact CE1-CG 3.58Å; Y1035-M1187 HydrophobicContact CE1-SD 3.65Å; Y1035-P1236 CarbonylContact O-C 3.42Å; Y1035-P1236 WeakPolarHBondContact O-CA 3.34Å; Y1035-Y1237 HydrophobicContact CD2-CD1 4.04Å; Y1035-Y1237 PolarHBondContact N-O 2.86Å; Y1035-Y1237 PolarHBondContact O-N 3.14Å
1036F95.5Very high89.9Confident0 Ų028.3 Ų28.30%016%0.161CC..EExtended strand (participates in β ladder)trans-8299.9170.5-69-89.5000108.2V1034 L1064 I1068 I1080 Y1185 F1186 A1210 V1234 P1236V1034-F1036 HydrophobicContact CG1-CE2 3.99Å; V1034-F1036 HydrophobicContact CG2-CD2 4.5Å; V1034-F1036 HydrophobicContact CG2-CE2 4.08Å; V1034-F1036 HydrophobicContact CG2-CZ 4.35Å; F1036-L1064 HydrophobicContact CB-CD1 4.22Å; F1036-I1068 HydrophobicContact CB-CD1 3.95Å; F1036-I1068 HydrophobicContact CD1-CD1 4.13Å; F1036-I1068 HydrophobicContact CD1-CG1 4.46Å; F1036-I1068 HydrophobicContact CD2-CD1 3.45Å; F1036-I1068 VanDerWaalsContact CD2-CD1 3.45Å; F1036-I1068 HydrophobicContact CD2-CG1 4.05Å; F1036-I1068 HydrophobicContact CE1-CG1 4.42Å; F1036-I1068 HydrophobicContact CE2-CD1 3.92Å; F1036-I1068 HydrophobicContact CE2-CG1 4Å; F1036-I1068 HydrophobicContact CE2-CG2 4.21Å; F1036-I1068 HydrophobicContact CG-CD1 3.56Å; F1036-I1068 HydrophobicContact CG-CG1 4.28Å; F1036-I1068 HydrophobicContact CZ-CD1 4.44Å; F1036-I1068 HydrophobicContact CZ-CG1 4.19Å; F1036-I1080 HydrophobicContact CE2-CD1 4.33Å; F1036-I1080 HydrophobicContact CZ-CD1 3.9Å; F1036-Y1185 WeakPolarHBondContact O-CA 3.47Å; F1036-F1186 HydrophobicContact CB-CB 4.5Å; F1036-F1186 PolarHBondContact N-O 2.89Å; F1036-F1186 PolarHBondContact O-N 2.82Å; F1036-A1210 HydrophobicContact CD1-CB 4.43Å; F1036-A1210 HydrophobicContact CE1-CB 4.48Å; F1036-V1234 HydrophobicContact CB-CG1 4.29Å; F1036-V1234 HydrophobicContact CD1-CG1 4.3Å; F1036-P1236 HydrophobicContact CD1-CB 4.22Å; F1036-P1236 HydrophobicContact CE1-CB 4.08Å
1037V95.4Very high89.8Confident0 Ų027.2 Ų27.20%016%0.155CC..EExtended strand (participates in β ladder)trans-86.7127.7-176.8-1770000109.5Y401 F402 F406 Y1035 N1184 V1234 F1235Y401-V1037 HydrophobicContact CD1-CG1 4.49Å; Y401-V1037 HydrophobicContact CE1-CG1 4.3Å; F402-V1037 HydrophobicContact CD2-CG2 3.87Å; F402-V1037 HydrophobicContact CE2-CG2 4.42Å; F406-V1037 HydrophobicContact CE2-CG1 3.89Å; F406-V1037 HydrophobicContact CE2-CG2 4.27Å; F406-V1037 HydrophobicContact CZ-CG1 4.18Å; Y1035-V1037 PolarHBondContact O-N 2.71Å; V1037-N1184 WeakPolarHBondContact CA-O 3.36Å; V1037-V1234 WeakPolarHBondContact O-CA 3.1Å; V1037-F1235 HydrophobicContact CB-CD1 4.12Å; V1037-F1235 HydrophobicContact CB-CD2 4.33Å; V1037-F1235 HydrophobicContact CB-CE1 3.73Å; V1037-F1235 HydrophobicContact CB-CE2 3.97Å; V1037-F1235 HydrophobicContact CB-CG 4.41Å; V1037-F1235 HydrophobicContact CB-CZ 3.66Å; V1037-F1235 HydrophobicContact CG1-CD1 4.39Å; V1037-F1235 HydrophobicContact CG1-CE1 3.63Å; V1037-F1235 HydrophobicContact CG1-CE2 4.47Å; V1037-F1235 HydrophobicContact CG1-CZ 3.68Å; V1037-F1235 HydrophobicContact CG2-CD2 4.46Å; V1037-F1235 HydrophobicContact CG2-CE1 4.47Å; V1037-F1235 HydrophobicContact CG2-CE2 3.88Å; V1037-F1235 HydrophobicContact CG2-CZ 3.89Å; V1037-F1235 PolarHBondContact N-O 2.91Å; V1037-F1235 PolarHBondContact O-N 3.12Å; V1037-F1235 VanDerWaalsContact O-N 3.1Å
1038I94.5Very high89.5Confident0 Ų029.6 Ų29.60%017%0.167CC..EExtended strand (participates in β ladder)trans-91.8122.7164-54.4-175.5000107.8H1042 F1044 V1053 L1064 A1183 N1184 F1186 W1217I1038-H1042 HydrophobicContact CG2-CB 3.78Å; I1038-F1044 HydrophobicContact CD1-CE1 4.26Å; I1038-F1044 HydrophobicContact CD1-CZ 3.89Å; I1038-F1044 HydrophobicContact CG2-CZ 4.28Å; I1038-V1053 HydrophobicContact CD1-CG1 4.03Å; I1038-V1053 HydrophobicContact CD1-CG2 3.86Å; I1038-L1064 HydrophobicContact CD1-CD2 3.69Å; I1038-L1064 HydrophobicContact CG1-CD2 3.88Å; I1038-A1183 WeakPolarHBondContact O-CA 3.35Å; I1038-N1184 PolarHBondContact N-O 3.27Å; I1038-N1184 PolarHBondContact O-N 3.37Å; I1038-F1186 HydrophobicContact CD1-CD2 4.29Å; I1038-F1186 HydrophobicContact CD1-CE2 3.64Å; I1038-F1186 HydrophobicContact CG1-CD2 4.45Å; I1038-F1186 HydrophobicContact CG1-CE2 4.21Å; I1038-W1217 HydrophobicContact CD1-CH2 3.89Å; I1038-W1217 HydrophobicContact CD1-CZ2 4.37Å; I1038-W1217 HydrophobicContact CG1-CH2 3.98Å; I1038-W1217 HydrophobicContact CG2-CH2 3.9Å; I1038-W1217 HydrophobicContact CG2-CZ3 4.19Å
1039T91.2Very high89.4Confident17 Ų1729 Ų2910%0.10417%0.165CC..PPolyproline II helixtrans-69.7152.4173.262.30000111.8Y401 G1041 N1232 T1233 F1235Y401-T1039 HydrophobicContact CE1-CG2 4.17Å; T1039-G1041 PolarHBondContact O-N 3.34Å; T1039-N1232 WeakPolarHBondContact OG1-CA 3.45Å; T1039-T1233 WeakPolarHBondContact CG2-OG1 3.44Å; T1039-T1233 PolarHBondContact N-O 3.18Å; T1039-T1233 VanDerWaalsContact N-O 3.12Å; T1039-T1233 PolarHBondContact OG1-N 3.29Å; T1039-T1233 PolarHBondContact OG1-O 2.74Å; T1039-F1235 HydrophobicContact CG2-CD1 4.13Å; T1039-F1235 HydrophobicContact CG2-CE1 4Å
1040E85.5Confident89.5Confident69 Ų6926 Ų2632%0.32215%0.154SC..THydrogen-bonded Turntrans-44.5138.6170.1-68.7176.8-159.500113.4Y401 Q405 L1171 A1183Y401-E1040 PolarHBondContact OH-N 3.25Å; Y401-E1040 VanDerWaalsContact OH-N 3.13Å; Q405-E1040 PolarHBondContact NE2-OE1 3.07Å; E1040-L1171 HydrophobicContact CG-CD1 4.32Å; E1040-A1183 HydrophobicContact CG-CB 4.28Å
1041G80.4Confident89.5Confident33 Ų3326.3 Ų26.334%0.3416%0.155SC..THydrogen-bonded Turntrans113.7-12.4174.800000115.6T1039T1039-G1041 PolarHBondContact O-N 3.34Å
1042H86.2Confident89.4Confident11 Ų1126.3 Ų26.35%0.05115%0.152CC..  trans-68.2137166.5-177.388.3000110.4I1038 F1044 G1049 Q1052 N1232I1038-H1042 HydrophobicContact CG2-CB 3.78Å; H1042-F1044 HydrophobicContact CB-CE2 3.96Å; H1042-F1044 HydrophobicContact CB-CZ 4.26Å; H1042-F1044 AromaticContact CD2-CD1 3.89Å; H1042-F1044 AromaticContact CD2-CD2 3.8Å; H1042-F1044 AromaticContact CD2-CE1 3.65Å; H1042-F1044 AromaticContact CD2-CE2 3.56Å; H1042-F1044 AromaticContact CD2-CG 3.96Å; H1042-F1044 AromaticContact CD2-CZ 3.46Å; H1042-F1044 VanDerWaalsContact CD2-CZ 3.46Å; H1042-F1044 WeakPolarHBondContact CD2-CZ 3.42Å; H1042-F1044 WeakPolarHBondContact O-CD2 3.43Å; H1042-F1044 PolarHBondContact O-N 3.2Å; H1042-G1049 WeakPolarHBondContact NE2-CA 3.23Å; H1042-G1049 PolarHBondContact NE2-O 3.18Å; H1042-Q1052 PolarHBondContact CE1-OE1 3.04Å; H1042-N1232 HydrophobicContact CB-CB 4.14Å; H1042-N1232 PolarHBondContact ND1-ND2 2.99Å
1043N85.9Confident89.4Confident79 Ų7924.7 Ų24.742%0.42214%0.141SC..  trans-98.891.3-172.4-171.5-3000113.1T1045 T1046N1043-T1045 PolarHBondContact O-N 3.43Å; N1043-T1045 PolarHBondContact OD1-N 3.15Å; N1043-T1045 PolarHBondContact OD1-OG1 2.91Å; N1043-T1046 PolarHBondContact O-OG1 3.23Å
1044F88.9Confident89.2Confident6 Ų623.8 Ų23.83%0.02614%0.136CC..THydrogen-bonded Turntrans-70.5-7.2178.1-61.6-87.7000114.9I1038 H1042 Q1050 V1053 W1087 I1088 F1140 V1181 N1184I1038-F1044 HydrophobicContact CD1-CE1 4.26Å; I1038-F1044 HydrophobicContact CD1-CZ 3.89Å; I1038-F1044 HydrophobicContact CG2-CZ 4.28Å; H1042-F1044 HydrophobicContact CB-CE2 3.96Å; H1042-F1044 HydrophobicContact CB-CZ 4.26Å; H1042-F1044 AromaticContact CD2-CD1 3.89Å; H1042-F1044 AromaticContact CD2-CD2 3.8Å; H1042-F1044 AromaticContact CD2-CE1 3.65Å; H1042-F1044 AromaticContact CD2-CE2 3.56Å; H1042-F1044 AromaticContact CD2-CG 3.96Å; H1042-F1044 AromaticContact CD2-CZ 3.46Å; H1042-F1044 VanDerWaalsContact CD2-CZ 3.46Å; H1042-F1044 WeakPolarHBondContact CD2-CZ 3.42Å; H1042-F1044 WeakPolarHBondContact O-CD2 3.43Å; H1042-F1044 PolarHBondContact O-N 3.2Å; F1044-Q1050 VanDerWaalsContact O-CG 3.23Å; F1044-Q1050 WeakPolarHBondContact O-CG 3.45Å; F1044-Q1050 PolarHBondContact O-NE2 2.81Å; F1044-V1053 HydrophobicContact CE1-CG1 4.38Å; F1044-V1053 HydrophobicContact CE1-CG2 4.03Å; F1044-W1087 AromaticContact CD1-CH2 3.92Å; F1044-W1087 HydrophobicContact CD1-CH2 3.92Å; F1044-W1087 AromaticContact CD1-CZ2 3.88Å; F1044-W1087 HydrophobicContact CD1-CZ2 3.88Å; F1044-W1087 HydrophobicContact CE1-CH2 4.27Å; F1044-W1087 AromaticContact CE1-CZ2 3.75Å; F1044-W1087 HydrophobicContact CE1-CZ2 3.75Å; F1044-W1087 HydrophobicContact CG-CH2 4.32Å; F1044-W1087 HydrophobicContact CZ-CZ2 4.29Å; F1044-I1088 HydrophobicContact CD1-CD1 4.06Å; F1044-F1140 HydrophobicContact CB-CE1 3.88Å; F1044-F1140 HydrophobicContact CB-CE2 4.43Å; F1044-F1140 HydrophobicContact CB-CZ 3.63Å; F1044-V1181 HydrophobicContact CB-CB 4.44Å; F1044-V1181 HydrophobicContact CB-CG2 4.46Å; F1044-V1181 HydrophobicContact CD2-CB 3.6Å; F1044-V1181 HydrophobicContact CD2-CG1 3.59Å; F1044-V1181 HydrophobicContact CD2-CG2 4.43Å; F1044-V1181 HydrophobicContact CE2-CB 4.17Å; F1044-V1181 HydrophobicContact CE2-CG1 3.66Å; F1044-V1181 HydrophobicContact CG-CB 4.18Å; F1044-V1181 HydrophobicContact CG-CG1 4.23Å; F1044-V1181 HydrophobicContact CZ-CG1 4.36Å; F1044-N1184 VanDerWaalsContact CE2-ND2 3.35Å; F1044-N1184 WeakPolarHBondContact CE2-ND2 3.43Å; F1044-N1184 WeakPolarHBondContact CZ-ND2 3.23Å
1045T86.2Confident88.6Confident39 Ų3924.2 Ų24.224%0.23914%0.139CC..THydrogen-bonded Turntrans-88.7-9-179.369.90000113.8N1043 F1140N1043-T1045 PolarHBondContact O-N 3.43Å; N1043-T1045 PolarHBondContact OD1-N 3.15Å; N1043-T1045 PolarHBondContact OD1-OG1 2.91Å; T1045-F1140 HydrophobicContact CG2-CD1 4.15Å
1046T86.2Confident87.6Confident57 Ų5724.1 Ų24.135%0.3514%0.142SC..SBendtrans-102.1147.3174.661.80000111.5N1043 D1048 G1049 Q1050N1043-T1046 PolarHBondContact O-OG1 3.23Å; T1046-D1048 PolarHBondContact O-N 3.17Å; T1046-G1049 PolarHBondContact O-N 2.99Å; T1046-G1049 PolarHBondContact OG1-N 3.19Å; T1046-Q1050 VanDerWaalsContact O-CG 3.3Å; T1046-Q1050 WeakPolarHBondContact O-CG 3.18Å; T1046-Q1050 PolarHBondContact O-N 3.38Å
1047L86.5Confident86.8Confident80 Ų8025.2 Ų25.242%0.41915%0.149SC..Hα-helixtrans-57.4-37178-17961.9000112.7N1051 R1134L1047-N1051 WeakPolarHBondContact O-CB 3.23Å; L1047-N1051 PolarHBondContact O-N 2.83Å; L1047-N1051 PolarHBondContact O-ND2 2.95Å; L1047-R1134 HydrophobicContact CD1-CB 3.98Å; L1047-R1134 HydrophobicContact CD1-CG 3.68Å
1048D85.3Confident85.9Confident63 Ų6327.3 Ų27.334%0.33717%0.17SC..Hα-helixtrans-65.7-49176.4173.648.1000111.9T1046 Q1050 N1051 Q1052T1046-D1048 PolarHBondContact O-N 3.17Å; D1048-Q1050 VanDerWaalsContact C-N 3.34Å; D1048-Q1050 PolarHBondContact O-N 2.73Å; D1048-N1051 CarbonylContact O-C 3.6Å; D1048-N1051 PolarHBondContact O-N 3.14Å; D1048-N1051 VanDerWaalsContact O-N 3.13Å; D1048-Q1052 VanDerWaalsContact O-CG 3.31Å; D1048-Q1052 WeakPolarHBondContact O-CG 3.29Å; D1048-Q1052 PolarHBondContact O-N 2.76Å; D1048-Q1052 PolarHBondContact OD1-NE2 3.31Å; D1048-Q1052 VanDerWaalsContact OD1-NE2 3.09Å; D1048-Q1052 PolarHBondContact OD2-NE2 3.33Å
1049G86.9Confident85.3Confident3 Ų328.2 Ų28.23%0.03118%0.176CC..Hα-helixtrans-60.4-43.3176.500000112.4H1042 T1046 N1051 Q1052 V1053H1042-G1049 WeakPolarHBondContact NE2-CA 3.23Å; H1042-G1049 PolarHBondContact NE2-O 3.18Å; T1046-G1049 PolarHBondContact O-N 2.99Å; T1046-G1049 PolarHBondContact OG1-N 3.19Å; G1049-N1051 PolarHBondContact O-N 3.2Å; G1049-Q1052 WeakPolarHBondContact O-CB 3.46Å; G1049-Q1052 PolarHBondContact O-N 3.13Å; G1049-V1053 PolarHBondContact O-N 2.82Å
1050Q90.2Very high84.9Confident2 Ų232.3 Ų32.31%0.00919%0.191CC..Hα-helixtrans-55.4-49.1172.6-68.2169.94.800111.5F1044 T1046 D1048 Q1052 V1053 C1054 I1088 F1092F1044-Q1050 VanDerWaalsContact O-CG 3.23Å; F1044-Q1050 WeakPolarHBondContact O-CG 3.45Å; F1044-Q1050 PolarHBondContact O-NE2 2.81Å; T1046-Q1050 VanDerWaalsContact O-CG 3.3Å; T1046-Q1050 WeakPolarHBondContact O-CG 3.18Å; T1046-Q1050 PolarHBondContact O-N 3.38Å; D1048-Q1050 VanDerWaalsContact C-N 3.34Å; D1048-Q1050 PolarHBondContact O-N 2.73Å; Q1050-Q1052 VanDerWaalsContact C-N 3.33Å; Q1050-Q1052 PolarHBondContact O-N 2.97Å; Q1050-V1053 PolarHBondContact O-N 3.38Å; Q1050-V1053 VanDerWaalsContact O-N 3.16Å; Q1050-C1054 WeakPolarHBondContact O-CB 3.33Å; Q1050-C1054 PolarHBondContact O-N 2.93Å; Q1050-C1054 PolarHBondContact O-SG 2.83Å; Q1050-I1088 HydrophobicContact CB-CD1 4.48Å; Q1050-I1088 HydrophobicContact CG-CD1 4.39Å; Q1050-F1092 HydrophobicContact CB-CZ 4.02Å; Q1050-F1092 HydrophobicContact CG-CZ 3.96Å
1051N88.8Confident84.4Confident17 Ų1733.5 Ų33.59%0.09120%0.199CC..Hα-helixtrans-71.1-21.8-179.2-70.4-12.7000114.5L1047 D1048 G1049 V1053 G1058 Y1060L1047-N1051 WeakPolarHBondContact O-CB 3.23Å; L1047-N1051 PolarHBondContact O-N 2.83Å; L1047-N1051 PolarHBondContact O-ND2 2.95Å; D1048-N1051 CarbonylContact O-C 3.6Å; D1048-N1051 PolarHBondContact O-N 3.14Å; D1048-N1051 VanDerWaalsContact O-N 3.13Å; G1049-N1051 PolarHBondContact O-N 3.2Å; N1051-V1053 VanDerWaalsContact C-N 3.26Å; N1051-V1053 PolarHBondContact O-N 2.96Å; N1051-G1058 PolarHBondContact ND2-O 2.93Å; N1051-G1058 PolarHBondContact OD1-O 3.25Å; N1051-Y1060 HydrophobicContact CB-CD2 3.82Å; N1051-Y1060 HydrophobicContact CB-CE2 3.69Å; N1051-Y1060 HydrophobicContact CB-CG 4.46Å; N1051-Y1060 WeakPolarHBondContact O-CD2 3.29Å; N1051-Y1060 PolarHBondContact O-N 3.34Å; N1051-Y1060 VanDerWaalsContact O-N 3.12Å
1052Q88.7Confident84.4Confident13 Ų1335.4 Ų35.46%0.06120%0.204CC..Hα-helixtrans-72.2-16.1171.1-75.9175.825.400113.4H1042 D1048 G1049 Q1050 Y1060 S1063 L1064 W1217H1042-Q1052 PolarHBondContact CE1-OE1 3.04Å; D1048-Q1052 VanDerWaalsContact O-CG 3.31Å; D1048-Q1052 WeakPolarHBondContact O-CG 3.29Å; D1048-Q1052 PolarHBondContact O-N 2.76Å; D1048-Q1052 PolarHBondContact OD1-NE2 3.31Å; D1048-Q1052 VanDerWaalsContact OD1-NE2 3.09Å; D1048-Q1052 PolarHBondContact OD2-NE2 3.33Å; G1049-Q1052 WeakPolarHBondContact O-CB 3.46Å; G1049-Q1052 PolarHBondContact O-N 3.13Å; Q1050-Q1052 VanDerWaalsContact C-N 3.33Å; Q1050-Q1052 PolarHBondContact O-N 2.97Å; Q1052-Y1060 HydrophobicContact CG-CD2 4.37Å; Q1052-Y1060 HydrophobicContact CG-CE2 4.41Å; Q1052-S1063 VanDerWaalsContact O-CA 3.31Å; Q1052-S1063 WeakPolarHBondContact O-CA 3.23Å; Q1052-L1064 PolarHBondContact O-N 3.13Å; Q1052-W1217 PolarHBondContact O-NE1 3.38Å
1053V91.1Very high84.5Confident0 Ų035 Ų350%020%0.203CC..Hα-helixtrans-114.5-48-175.6-179.70000112.5I1038 F1044 G1049 Q1050 N1051 L1064 I1065 I1088 F1186 W1217I1038-V1053 HydrophobicContact CD1-CG1 4.03Å; I1038-V1053 HydrophobicContact CD1-CG2 3.86Å; F1044-V1053 HydrophobicContact CE1-CG1 4.38Å; F1044-V1053 HydrophobicContact CE1-CG2 4.03Å; G1049-V1053 PolarHBondContact O-N 2.82Å; Q1050-V1053 PolarHBondContact O-N 3.38Å; Q1050-V1053 VanDerWaalsContact O-N 3.16Å; N1051-V1053 VanDerWaalsContact C-N 3.26Å; N1051-V1053 PolarHBondContact O-N 2.96Å; V1053-L1064 HydrophobicContact CG1-CB 4.42Å; V1053-L1064 HydrophobicContact CG1-CD2 4.28Å; V1053-I1065 WeakPolarHBondContact O-CG1 3.27Å; V1053-I1065 PolarHBondContact O-N 3.28Å; V1053-I1088 HydrophobicContact CG1-CG2 4.18Å; V1053-F1186 HydrophobicContact CG1-CE1 4.19Å; V1053-F1186 HydrophobicContact CG1-CE2 3.75Å; V1053-F1186 HydrophobicContact CG1-CZ 3.38Å; V1053-W1217 HydrophobicContact CG2-CZ2 4.16Å
1054C89.6Confident84.7Confident0 Ų031.2 Ų31.20%018%0.183CC..  trans-64.7159.5-168.4670000115Q1050 C1059 S1063 I1088 D1089 F1092 R1134Q1050-C1054 WeakPolarHBondContact O-CB 3.33Å; Q1050-C1054 PolarHBondContact O-N 2.93Å; Q1050-C1054 PolarHBondContact O-SG 2.83Å; C1054-C1059 HydrophobicContact CB-CB 4.21Å; C1054-C1059 WeakPolarHBondContact CB-SG 3.3Å; C1054-C1059 WeakPolarHBondContact O-CB 3.26Å; C1054-C1059 WeakPolarHBondContact SG-CB 3.17Å; C1054-C1059 CovalentContact SG-SG 2.03Å; C1054-C1059 PolarHBondContact SG-SG 3.08Å; C1054-S1063 VanDerWaalsContact O-CB 3.29Å; C1054-S1063 WeakPolarHBondContact O-CB 3.42Å; C1054-S1063 PolarHBondContact O-OG 2.94Å; C1054-I1088 HydrophobicContact CB-CG2 4.08Å; C1054-D1089 WeakPolarHBondContact CB-OD1 3.21Å; C1054-F1092 HydrophobicContact CB-CE2 4.08Å; C1054-R1134 PolarHBondContact SG-NH2 3.1Å
1055G81.7Confident84.8Confident8 Ų831.1 Ų31.18%0.08218%0.182CC..  trans-112.4-12.418000000115.5D1089G1055-D1089 PolarHBondContact N-OD1 2.84Å; G1055-D1089 VanDerWaalsContact N-OD1 3.09Å; G1055-D1089 PolarHBondContact N-OD2 2.99Å
1056G75.3Confident84.7Confident9 Ų930.3 Ų30.39%0.09318%0.182CC..SBendtrans-75.3-160.1178.600000114.5C1059 D1089G1056-C1059 PolarHBondContact N-SG 2.91Å; G1056-C1059 PolarHBondContact O-SG 3.06Å; G1056-D1089 PolarHBondContact N-OD1 3.32Å
1057T77.5Confident84.7Confident23 Ų2329.2 Ų29.214%0.14117%0.172CC..THydrogen-bonded Turntrans-73.1138-17832.90000113R95 A231 C232 C1059 R1134R95-T1057 WeakPolarHBondContact O-CG2 3.19Å; R95-T1057 PolarHBondContact O-OG1 3.2Å; A231-T1057 WeakPolarHBondContact O-CG2 3.42Å; C232-T1057 HydrophobicContact CB-CG2 4.49Å; T1057-C1059 VanDerWaalsContact C-N 3.33Å; T1057-R1134 PolarHBondContact O-NH2 2.92Å
1058G76.9Confident84.8Confident44 Ų4425.4 Ų25.445%0.45415%0.152SC..THydrogen-bonded Turntrans85.6-8.1-177.400000115.7N1051N1051-G1058 PolarHBondContact ND2-O 2.93Å; N1051-G1058 PolarHBondContact OD1-O 3.25Å
1059C83Confident84.7Confident19 Ų1923.5 Ų23.513%0.12814%0.143CC..  trans-74161.6175.1-47.70000111.7C1054 G1056 T1057 R1134C1054-C1059 HydrophobicContact CB-CB 4.21Å; C1054-C1059 WeakPolarHBondContact CB-SG 3.3Å; C1054-C1059 WeakPolarHBondContact O-CB 3.26Å; C1054-C1059 WeakPolarHBondContact SG-CB 3.17Å; C1054-C1059 CovalentContact SG-SG 2.03Å; C1054-C1059 PolarHBondContact SG-SG 3.08Å; G1056-C1059 PolarHBondContact N-SG 2.91Å; G1056-C1059 PolarHBondContact O-SG 3.06Å; T1057-C1059 VanDerWaalsContact C-N 3.33Å; C1059-R1134 PolarHBondContact SG-NH2 2.69Å
1060Y82.4Confident84.5Confident104 Ų10425.2 Ų25.241%0.40816%0.158SC..  trans-78.6141.9176.8-62.2-55.8000112.1N1051 Q1052 T1062 S1063N1051-Y1060 HydrophobicContact CB-CD2 3.82Å; N1051-Y1060 HydrophobicContact CB-CE2 3.69Å; N1051-Y1060 HydrophobicContact CB-CG 4.46Å; N1051-Y1060 WeakPolarHBondContact O-CD2 3.29Å; N1051-Y1060 PolarHBondContact O-N 3.34Å; N1051-Y1060 VanDerWaalsContact O-N 3.12Å; Q1052-Y1060 HydrophobicContact CG-CD2 4.37Å; Q1052-Y1060 HydrophobicContact CG-CE2 4.41Å; Y1060-T1062 PolarHBondContact O-N 3.47Å; Y1060-S1063 WeakPolarHBondContact O-CB 3.33Å; Y1060-S1063 PolarHBondContact O-N 2.93Å; Y1060-S1063 PolarHBondContact O-OG 3.47Å
1061N75.4Confident84.2Confident93 Ų9325.2 Ų25.250%0.49716%0.158SC..THydrogen-bonded Turntrans-57.8-21.5171.4-69.69.5000112.8
1062T80.7Confident84Confident74 Ų7425 Ų2545%0.45416%0.159SC..THydrogen-bonded Turntrans-89.33.7176.949.60000114.3Y1060 K1067Y1060-T1062 PolarHBondContact O-N 3.47Å; T1062-K1067 WeakPolarHBondContact O-CD 3.21Å; T1062-K1067 WeakPolarHBondContact O-CE 3.16Å; T1062-K1067 PolarHBondContact O-NZ 2.97Å
1063S88.2Confident83.6Confident2 Ų228.4 Ų28.41%0.01418%0.184CC..SBendtrans-63.7166-178.277.80000113.3Q1052 C1054 Y1060 G1066 K1067Q1052-S1063 VanDerWaalsContact O-CA 3.31Å; Q1052-S1063 WeakPolarHBondContact O-CA 3.23Å; C1054-S1063 VanDerWaalsContact O-CB 3.29Å; C1054-S1063 WeakPolarHBondContact O-CB 3.42Å; C1054-S1063 PolarHBondContact O-OG 2.94Å; Y1060-S1063 WeakPolarHBondContact O-CB 3.33Å; Y1060-S1063 PolarHBondContact O-N 2.93Å; Y1060-S1063 PolarHBondContact O-OG 3.47Å; S1063-G1066 PolarHBondContact O-N 3.02Å; S1063-G1066 PolarHBondContact OG-N 3.2Å; S1063-K1067 WeakPolarHBondContact O-CB 3.34Å; S1063-K1067 PolarHBondContact O-N 2.94Å
1064L90.2Very high83.3Confident0 Ų033.8 Ų33.80%021%0.205CC..Hα-helixtrans-54.8-55.8175.917858.2000111.9F1036 I1038 Q1052 V1053 I1068 F1186 I1213 V1234F1036-L1064 HydrophobicContact CB-CD1 4.22Å; I1038-L1064 HydrophobicContact CD1-CD2 3.69Å; I1038-L1064 HydrophobicContact CG1-CD2 3.88Å; Q1052-L1064 PolarHBondContact O-N 3.13Å; V1053-L1064 HydrophobicContact CG1-CB 4.42Å; V1053-L1064 HydrophobicContact CG1-CD2 4.28Å; L1064-I1068 HydrophobicContact CD1-CD1 3.53Å; L1064-I1068 HydrophobicContact CD1-CG1 4.3Å; L1064-I1068 HydrophobicContact CG-CD1 3.93Å; L1064-I1068 WeakPolarHBondContact O-CD1 3.49Å; L1064-I1068 VanDerWaalsContact O-CG1 3.31Å; L1064-I1068 WeakPolarHBondContact O-CG1 3.45Å; L1064-I1068 PolarHBondContact O-N 3.13Å; L1064-I1068 VanDerWaalsContact O-N 3.07Å; L1064-F1186 HydrophobicContact CD2-CB 4.49Å; L1064-F1186 HydrophobicContact CD2-CD2 3.35Å; L1064-F1186 HydrophobicContact CD2-CE2 3.7Å; L1064-F1186 HydrophobicContact CD2-CG 3.99Å; L1064-F1186 HydrophobicContact CG-CD2 4.47Å; L1064-I1213 HydrophobicContact CB-CG2 4.45Å; L1064-I1213 HydrophobicContact CD1-CD1 3.54Å; L1064-I1213 HydrophobicContact CD1-CG1 4.43Å; L1064-I1213 HydrophobicContact CD1-CG2 4.22Å; L1064-V1234 HydrophobicContact CD1-CG1 4.07Å
1065I89Confident83Confident4 Ų436 Ų362%0.02122%0.219CC..Hα-helixtrans-67.2-40.3-179.4-64.5-62000111.6M235 V1053 K1067 I1068 S1069 A1084 F1186M235-I1065 HydrophobicContact CE-CG2 3.68Å; V1053-I1065 WeakPolarHBondContact O-CG1 3.27Å; V1053-I1065 PolarHBondContact O-N 3.28Å; I1065-K1067 PolarHBondContact O-N 2.61Å; I1065-I1068 PolarHBondContact O-N 3.42Å; I1065-S1069 WeakPolarHBondContact O-CB 3.3Å; I1065-S1069 PolarHBondContact O-N 3.31Å; I1065-A1084 HydrophobicContact CD1-CB 3.85Å; I1065-F1186 HydrophobicContact CD1-CB 4.4Å; I1065-F1186 HydrophobicContact CD1-CD1 3.6Å; I1065-F1186 HydrophobicContact CD1-CE1 4.17Å; I1065-F1186 HydrophobicContact CD1-CG 4.2Å; I1065-F1186 HydrophobicContact CG1-CD1 4.35Å; I1065-F1186 HydrophobicContact CG1-CE1 4.46Å
1066G84.3Confident83.1Confident22 Ų2242.8 Ų42.823%0.22725%0.254CS..Hα-helixtrans-57.5-48.3177.500000112.2S1063 A1070S1063-G1066 PolarHBondContact O-N 3.02Å; S1063-G1066 PolarHBondContact OG-N 3.2Å; G1066-A1070 WeakPolarHBondContact O-CB 3.13Å; G1066-A1070 PolarHBondContact O-N 3.28Å
1067K86.4Confident83.5Confident33 Ų3346.7 Ų46.714%0.14327%0.266CS..Hα-helixtrans-67-40.3177.6-77.2176.8170.9167.70113.3T1062 S1063 I1065 A1070 A1071 K1212 I1213 S1216T1062-K1067 WeakPolarHBondContact O-CD 3.21Å; T1062-K1067 WeakPolarHBondContact O-CE 3.16Å; T1062-K1067 PolarHBondContact O-NZ 2.97Å; S1063-K1067 WeakPolarHBondContact O-CB 3.34Å; S1063-K1067 PolarHBondContact O-N 2.94Å; I1065-K1067 PolarHBondContact O-N 2.61Å; K1067-A1070 PolarHBondContact O-N 3.11Å; K1067-A1071 WeakPolarHBondContact O-CB 3.43Å; K1067-A1071 PolarHBondContact O-N 3.4Å; K1067-K1212 PolarHBondContact NZ-O 2.9Å; K1067-I1213 HydrophobicContact CB-CD1 4.37Å; K1067-I1213 HydrophobicContact CB-CG1 4.1Å; K1067-I1213 HydrophobicContact CD-CG1 3.54Å; K1067-I1213 HydrophobicContact CG-CG1 4.45Å; K1067-S1216 PolarHBondContact NZ-OG 3.44Å
1068I88.1Confident84Confident1 Ų145.6 Ų45.61%0.00526%0.259CS..Hα-helixtrans-67.8-41.5177.6-63.7162.3000110.9F1036 L1064 I1065 A1071 A1072 A1084 A1188F1036-I1068 HydrophobicContact CB-CD1 3.95Å; F1036-I1068 HydrophobicContact CD1-CD1 4.13Å; F1036-I1068 HydrophobicContact CD1-CG1 4.46Å; F1036-I1068 HydrophobicContact CD2-CD1 3.45Å; F1036-I1068 VanDerWaalsContact CD2-CD1 3.45Å; F1036-I1068 HydrophobicContact CD2-CG1 4.05Å; F1036-I1068 HydrophobicContact CE1-CG1 4.42Å; F1036-I1068 HydrophobicContact CE2-CD1 3.92Å; F1036-I1068 HydrophobicContact CE2-CG1 4Å; F1036-I1068 HydrophobicContact CE2-CG2 4.21Å; F1036-I1068 HydrophobicContact CG-CD1 3.56Å; F1036-I1068 HydrophobicContact CG-CG1 4.28Å; F1036-I1068 HydrophobicContact CZ-CD1 4.44Å; F1036-I1068 HydrophobicContact CZ-CG1 4.19Å; L1064-I1068 HydrophobicContact CD1-CD1 3.53Å; L1064-I1068 HydrophobicContact CD1-CG1 4.3Å; L1064-I1068 HydrophobicContact CG-CD1 3.93Å; L1064-I1068 WeakPolarHBondContact O-CD1 3.49Å; L1064-I1068 VanDerWaalsContact O-CG1 3.31Å; L1064-I1068 WeakPolarHBondContact O-CG1 3.45Å; L1064-I1068 PolarHBondContact O-N 3.13Å; L1064-I1068 VanDerWaalsContact O-N 3.07Å; I1065-I1068 PolarHBondContact O-N 3.42Å; I1068-A1071 WeakPolarHBondContact O-CB 3.36Å; I1068-A1071 PolarHBondContact O-N 3.21Å; I1068-A1072 PolarHBondContact O-N 3.17Å; I1068-A1084 HydrophobicContact CD1-CB 4.18Å; I1068-A1084 HydrophobicContact CG2-CB 3.95Å; I1068-A1188 HydrophobicContact CG2-CB 4.36Å
1069S83.9Confident84.7Confident22 Ų2246 Ų4615%0.15425%0.247CC..Hα-helixtrans-64.8-40.7176.4-166.60000112.2M235 I1065 A1071 A1072 S1073M235-S1069 VanDerWaalsContact CE-OG 3.26Å; M235-S1069 WeakPolarHBondContact CE-OG 3.31Å; I1065-S1069 WeakPolarHBondContact O-CB 3.3Å; I1065-S1069 PolarHBondContact O-N 3.31Å; S1069-A1071 VanDerWaalsContact C-N 3.26Å; S1069-A1071 PolarHBondContact O-N 3.02Å; S1069-A1072 WeakPolarHBondContact O-CB 3.15Å; S1069-A1072 PolarHBondContact O-N 3.43Å; S1069-S1073 PolarHBondContact O-N 2.85Å; S1069-S1073 PolarHBondContact O-OG 2.86Å
1070A82.2Confident85Confident40 Ų4045.1 Ų45.133%0.33124%0.241SC..Hα-helixtrans-62.5-34.1173.600000112G1066 K1067 Y1074G1066-A1070 WeakPolarHBondContact O-CB 3.13Å; G1066-A1070 PolarHBondContact O-N 3.28Å; K1067-A1070 PolarHBondContact O-N 3.11Å; A1070-Y1074 WeakPolarHBondContact O-CD2 3.41Å
1071A85.4Confident85.1Confident1 Ų143 Ų431%0.00824%0.239CC..Hα-helixtrans-70.7-36.1173.600000112.9K1067 I1068 S1069 S1073 Y1074 S1078 I1080 Y1209K1067-A1071 WeakPolarHBondContact O-CB 3.43Å; K1067-A1071 PolarHBondContact O-N 3.4Å; I1068-A1071 WeakPolarHBondContact O-CB 3.36Å; I1068-A1071 PolarHBondContact O-N 3.21Å; S1069-A1071 VanDerWaalsContact C-N 3.26Å; S1069-A1071 PolarHBondContact O-N 3.02Å; A1071-S1073 VanDerWaalsContact C-N 3.26Å; A1071-S1073 PolarHBondContact O-N 3.1Å; A1071-Y1074 PolarHBondContact O-N 3.34Å; A1071-Y1074 VanDerWaalsContact O-N 3.12Å; A1071-S1078 WeakPolarHBondContact O-CB 3.4Å; A1071-S1078 PolarHBondContact O-OG 2.04Å; A1071-I1080 HydrophobicContact CB-CD1 4.25Å; A1071-Y1209 HydrophobicContact CB-CD1 4.38Å; A1071-Y1209 HydrophobicContact CB-CD2 4.07Å; A1071-Y1209 HydrophobicContact CB-CE1 3.96Å; A1071-Y1209 HydrophobicContact CB-CE2 3.62Å; A1071-Y1209 HydrophobicContact CB-CG 4.45Å
1072A84.9Confident85.3Confident14 Ų1439.9 Ų39.912%0.11622%0.224CC..Hα-helixtrans-63.3-29.2177.900000113.1I1068 S1069 Y1074 P1075 I1080 S1082I1068-A1072 PolarHBondContact O-N 3.17Å; S1069-A1072 WeakPolarHBondContact O-CB 3.15Å; S1069-A1072 PolarHBondContact O-N 3.43Å; A1072-Y1074 PolarHBondContact O-N 3.41Å; A1072-P1075 WeakPolarHBondContact O-CD 3.3Å; A1072-I1080 HydrophobicContact CB-CG2 4.25Å; A1072-S1082 VanDerWaalsContact CB-C 3.49Å; A1072-S1082 WeakPolarHBondContact CB-O 3.42Å
1073S79.4Confident85.4Confident84 Ų8439.2 Ų39.259%0.58722%0.221SC*.THydrogen-bonded Turntrans-67.3-13.2174.2-57.60000114.5S1069 A1071 P1075S1069-S1073 PolarHBondContact O-N 2.85Å; S1069-S1073 PolarHBondContact O-OG 2.86Å; A1071-S1073 VanDerWaalsContact C-N 3.26Å; A1071-S1073 PolarHBondContact O-N 3.1Å; S1073-P1075 VanDerWaalsContact C-CD 3.47Å
1074Y84.5Confident85.3Confident112 Ų11239.7 Ų39.744%0.43923%0.225SC..  trans-128.557.5-177.5-63.3-86000112.4P246 L248 A1070 A1071 A1072 N1076 R1077 S1078P246-Y1074 HydrophobicContact CG-CD2 3.95Å; P246-Y1074 HydrophobicContact CG-CE2 3.6Å; L248-Y1074 HydrophobicContact CD2-CG 4.18Å; A1070-Y1074 WeakPolarHBondContact O-CD2 3.41Å; A1071-Y1074 PolarHBondContact O-N 3.34Å; A1071-Y1074 VanDerWaalsContact O-N 3.12Å; A1072-Y1074 PolarHBondContact O-N 3.41Å; Y1074-N1076 PolarHBondContact O-N 2.84Å; Y1074-N1076 VanDerWaalsContact O-N 3.1Å; Y1074-R1077 PolarHBondContact O-N 3Å; Y1074-S1078 PolarHBondContact O-N 3.01Å; Y1074-S1078 PolarHBondContact O-OG 3.28Å; Y1074-S1078 VanDerWaalsContact O-OG 3.11Å
1075P83.7Confident85Confident47 Ų4742.1 Ų42.131%0.30524%0.242SC..Hα-helixtrans-59.5-31.7-169.925.3-35.1000113.2A1072 S1073 R1077 S1078 W1079 I1080 V1081A1072-P1075 WeakPolarHBondContact O-CD 3.3Å; S1073-P1075 VanDerWaalsContact C-CD 3.47Å; P1075-R1077 PolarHBondContact O-N 3.39Å; P1075-R1077 VanDerWaalsContact O-N 3.08Å; P1075-S1078 WeakPolarHBondContact CA-OG 2.96Å; P1075-W1079 VanDerWaalsContact O-CA 3.3Å; P1075-W1079 WeakPolarHBondContact O-CA 3.42Å; P1075-W1079 PolarHBondContact O-N 2.88Å; P1075-I1080 WeakPolarHBondContact CA-O 3.3Å; P1075-I1080 WeakPolarHBondContact CB-O 3.35Å; P1075-V1081 HydrophobicContact CB-CG2 3.72Å
1076N83.9Confident84.9Confident150 Ų15042.5 Ų42.580%0.80225%0.245SC*.Hα-helixtrans-67.2-3.7176.8-62.7-10.8000114.4Y1074Y1074-N1076 PolarHBondContact O-N 2.84Å; Y1074-N1076 VanDerWaalsContact O-N 3.1Å
1077R83.8Confident85.3Confident92 Ų9241.5 Ų41.535%0.34723%0.234SC..Hα-helixtrans-132.1-29176.1-68.7-174.8178.6-141.5-2.3113.5L248 P249 Y1074 P1075 W1079L248-R1077 HydrophobicContact CD2-CB 4.16Å; P249-R1077 WeakPolarHBondContact CG-O 3.26Å; Y1074-R1077 PolarHBondContact O-N 3Å; P1075-R1077 PolarHBondContact O-N 3.39Å; P1075-R1077 VanDerWaalsContact O-N 3.08Å; R1077-W1079 VanDerWaalsContact O-CE3 3.27Å; R1077-W1079 WeakPolarHBondContact O-CZ3 3.18Å
1078S87.3Confident85.5Confident0 Ų040 Ų400%023%0.228CC..Hα-helixtrans-87.3-22.1176.262.10000113.3A1071 Y1074 P1075 I1080 A1205A1071-S1078 WeakPolarHBondContact O-CB 3.4Å; A1071-S1078 PolarHBondContact O-OG 2.04Å; Y1074-S1078 PolarHBondContact O-N 3.01Å; Y1074-S1078 PolarHBondContact O-OG 3.28Å; Y1074-S1078 VanDerWaalsContact O-OG 3.11Å; P1075-S1078 WeakPolarHBondContact CA-OG 2.96Å; S1078-I1080 PolarHBondContact O-N 3.23Å; S1078-I1080 PolarHBondContact OG-N 3.38Å; S1078-I1080 PolarHBondContact OG-O 3.32Å; S1078-A1205 VanDerWaalsContact O-CB 3.3Å; S1078-A1205 WeakPolarHBondContact O-CB 3.15Å
1079W91.1Very high85.5Confident52 Ų5240.7 Ų40.720%0.19723%0.232CC..  trans51.123.9-161.5-69.2-100.9000113.1P1075 R1077 H1190 G1191 L1193 D1198 N1201 A1202 A1205P1075-W1079 VanDerWaalsContact O-CA 3.3Å; P1075-W1079 WeakPolarHBondContact O-CA 3.42Å; P1075-W1079 PolarHBondContact O-N 2.88Å; R1077-W1079 VanDerWaalsContact O-CE3 3.27Å; R1077-W1079 WeakPolarHBondContact O-CZ3 3.18Å; W1079-H1190 CarbonylContact O-C 3.57Å; W1079-H1190 WeakPolarHBondContact O-CA 3.23Å; W1079-H1190 WeakPolarHBondContact O-CB 3.42Å; W1079-H1190 PolarHBondContact O-ND1 3.29Å; W1079-G1191 PolarHBondContact O-N 3.23Å; W1079-L1193 HydrophobicContact CB-CD2 4.46Å; W1079-L1193 HydrophobicContact CG-CD2 4.42Å; W1079-D1198 PolarHBondContact NE1-OD1 3.06Å; W1079-D1198 VanDerWaalsContact NE1-OD1 3.14Å; W1079-N1201 HydrophobicContact CD2-CB 4.33Å; W1079-N1201 HydrophobicContact CE3-CB 4.21Å; W1079-N1201 HydrophobicContact CH2-CB 3.6Å; W1079-N1201 HydrophobicContact CZ2-CB 3.68Å; W1079-N1201 HydrophobicContact CZ3-CB 3.86Å; W1079-A1202 HydrophobicContact CB-CB 3.65Å; W1079-A1202 HydrophobicContact CG-CB 4.01Å; W1079-A1205 HydrophobicContact CE3-CB 4.24Å
1080I89.4Confident85.5Confident0 Ų041.1 Ų41.10%023%0.232CC..BIsolated β-bridgetrans-112.7129.6173.7-62.6169.1000107.3F1036 A1071 A1072 P1075 S1078 S1082 A1188 Y1209F1036-I1080 HydrophobicContact CE2-CD1 4.33Å; F1036-I1080 HydrophobicContact CZ-CD1 3.9Å; A1071-I1080 HydrophobicContact CB-CD1 4.25Å; A1072-I1080 HydrophobicContact CB-CG2 4.25Å; P1075-I1080 WeakPolarHBondContact CA-O 3.3Å; P1075-I1080 WeakPolarHBondContact CB-O 3.35Å; S1078-I1080 PolarHBondContact O-N 3.23Å; S1078-I1080 PolarHBondContact OG-N 3.38Å; S1078-I1080 PolarHBondContact OG-O 3.32Å; I1080-S1082 WeakPolarHBondContact CG2-O 3.28Å; I1080-A1188 HydrophobicContact CG2-CB 4.45Å; I1080-Y1209 HydrophobicContact CD1-CD2 4.4Å
1081V86.1Confident85.9Confident61 Ų6139.2 Ų39.237%0.3722%0.217SC..  trans-111.2-30.7-174.6168.40000113P1075 Y1189 G1191P1075-V1081 HydrophobicContact CB-CG2 3.72Å; V1081-Y1189 PolarHBondContact N-O 3.01Å; V1081-G1191 VanDerWaalsContact CG2-CA 3.44Å
1082S79.7Confident86Confident27 Ų2739.7 Ų39.719%0.18922%0.218CC..SBendtrans-102.9150.9175.780.50000111.6A1072 I1080 A1188 Y1189A1072-S1082 VanDerWaalsContact CB-C 3.49Å; A1072-S1082 WeakPolarHBondContact CB-O 3.42Å; I1080-S1082 WeakPolarHBondContact CG2-O 3.28Å; S1082-A1188 WeakPolarHBondContact OG-CA 3.1Å; S1082-Y1189 PolarHBondContact OG-N 2.92Å
1083P82Confident85.8Confident59 Ų5940.3 Ų40.338%0.38322%0.22SC..PPolyproline II helixtrans-60.2167.2155.230.7-35.3000110
1084A85.9Confident86.1Confident12 Ų1236.3 Ų36.310%0.09919%0.192CC..PPolyproline II helixtrans-88.3140.3175.200000112I1065 I1068 F1186 M1187 A1188I1065-A1084 HydrophobicContact CD1-CB 3.85Å; I1068-A1084 HydrophobicContact CD1-CB 4.18Å; I1068-A1084 HydrophobicContact CG2-CB 3.95Å; A1084-F1186 HydrophobicContact CB-CB 4.18Å; A1084-M1187 CarbonylContact C-O 3.52Å; A1084-M1187 VanDerWaalsContact CA-O 3.23Å; A1084-M1187 WeakPolarHBondContact CA-O 3.49Å; A1084-A1188 HydrophobicContact CB-CB 4.16Å
1085S83.2Confident86.2Confident51 Ų5131 Ų3136%0.35717%0.171SC..BIsolated β-bridgetrans-66.7132.9169.161.10000110.3F1186 M1187S1085-F1186 WeakPolarHBondContact O-CD1 3.41Å; S1085-M1187 PolarHBondContact N-O 3.44Å; S1085-M1187 PolarHBondContact OG-O 3.23Å
1086S88.6Confident86.1Confident12 Ų1229.5 Ų29.58%0.08416%0.16CC..  trans-121.598.6-169.3-171.10000113I1088 D1089 D1090 Y1164S1086-I1088 PolarHBondContact O-N 3.3Å; S1086-I1088 WeakPolarHBondContact OG-CG2 3.01Å; S1086-D1089 VanDerWaalsContact CB-OD2 3.25Å; S1086-D1089 WeakPolarHBondContact CB-OD2 3.46Å; S1086-D1089 PolarHBondContact O-N 3.12Å; S1086-D1089 PolarHBondContact OG-OD2 2.96Å; S1086-D1090 PolarHBondContact O-N 2.95Å; S1086-D1090 VanDerWaalsContact O-N 3.16Å; S1086-Y1164 PolarHBondContact N-OH 2.78Å
1087W91Very high85.7Confident2 Ų224.4 Ų24.41%0.00814%0.136CC..Hα-helixtrans-58.5-31177.471-98.9000113.2F1044 Y1091 F1140 L1144 Y1164 V1168 V1181 N1184 F1186F1044-W1087 AromaticContact CD1-CH2 3.92Å; F1044-W1087 HydrophobicContact CD1-CH2 3.92Å; F1044-W1087 AromaticContact CD1-CZ2 3.88Å; F1044-W1087 HydrophobicContact CD1-CZ2 3.88Å; F1044-W1087 HydrophobicContact CE1-CH2 4.27Å; F1044-W1087 AromaticContact CE1-CZ2 3.75Å; F1044-W1087 HydrophobicContact CE1-CZ2 3.75Å; F1044-W1087 HydrophobicContact CG-CH2 4.32Å; F1044-W1087 HydrophobicContact CZ-CZ2 4.29Å; W1087-Y1091 WeakPolarHBondContact O-CB 3.47Å; W1087-Y1091 PolarHBondContact O-N 3.27Å; W1087-F1140 HydrophobicContact CH2-CZ 4.12Å; W1087-F1140 HydrophobicContact CZ3-CZ 4.2Å; W1087-L1144 HydrophobicContact CE3-CD1 4.2Å; W1087-L1144 HydrophobicContact CZ3-CD1 3.86Å; W1087-L1144 HydrophobicContact CZ3-CD2 4.17Å; W1087-Y1164 HydrophobicContact CB-CD1 3.59Å; W1087-Y1164 HydrophobicContact CB-CD2 3.8Å; W1087-Y1164 HydrophobicContact CB-CE1 4.01Å; W1087-Y1164 HydrophobicContact CB-CE2 4.21Å; W1087-Y1164 HydrophobicContact CB-CG 3.46Å; W1087-Y1164 VanDerWaalsContact CB-CG 3.46Å; W1087-V1168 HydrophobicContact CB-CG2 3.98Å; W1087-V1168 HydrophobicContact CD2-CG1 4.47Å; W1087-V1168 HydrophobicContact CD2-CG2 3.52Å; W1087-V1168 HydrophobicContact CE3-CG2 4.09Å; W1087-V1168 HydrophobicContact CG-CG2 3.45Å; W1087-V1168 VanDerWaalsContact CG-CG2 3.45Å; W1087-V1168 HydrophobicContact CH2-CG1 4.41Å; W1087-V1168 HydrophobicContact CZ2-CG1 4.35Å; W1087-V1168 HydrophobicContact CZ3-CG1 4.48Å; W1087-V1181 HydrophobicContact CH2-CG1 4.22Å; W1087-V1181 HydrophobicContact CH2-CG2 4.15Å; W1087-V1181 HydrophobicContact CZ2-CG1 4.17Å; W1087-N1184 PolarHBondContact NE1-OD1 3.49Å; W1087-N1184 VanDerWaalsContact NE1-OD1 3.17Å; W1087-F1186 AromaticContact CD1-CE1 3.57Å; W1087-F1186 AromaticContact CD1-CZ 3.53Å; W1087-F1186 AromaticContact CE2-CZ 3.98Å; W1087-F1186 HydrophobicContact CG-CE1 4.39Å; W1087-F1186 HydrophobicContact CG-CZ 4.47Å; W1087-F1186 AromaticContact NE1-CE1 3.73Å; W1087-F1186 AromaticContact NE1-CE2 3.62Å; W1087-F1186 AromaticContact NE1-CZ 3.15Å
1088I91.1Very high84.8Confident0 Ų023.4 Ų23.40%014%0.143CC..Hα-helixtrans-78.2-36.6-176.5-165.2177.1000112.1F1044 Q1050 V1053 C1054 S1086 F1092 F1186F1044-I1088 HydrophobicContact CD1-CD1 4.06Å; Q1050-I1088 HydrophobicContact CB-CD1 4.48Å; Q1050-I1088 HydrophobicContact CG-CD1 4.39Å; V1053-I1088 HydrophobicContact CG1-CG2 4.18Å; C1054-I1088 HydrophobicContact CB-CG2 4.08Å; S1086-I1088 PolarHBondContact O-N 3.3Å; S1086-I1088 WeakPolarHBondContact OG-CG2 3.01Å; I1088-F1092 HydrophobicContact CD1-CE2 4.18Å; I1088-F1092 HydrophobicContact CD1-CZ 3.83Å; I1088-F1092 HydrophobicContact CG1-CE1 4.17Å; I1088-F1092 HydrophobicContact CG1-CE2 3.73Å; I1088-F1092 HydrophobicContact CG1-CZ 3.52Å; I1088-F1092 WeakPolarHBondContact O-CD2 3.06Å; I1088-F1092 VanDerWaalsContact O-CG 3.23Å; I1088-F1092 WeakPolarHBondContact O-CG 3.3Å; I1088-F1092 PolarHBondContact O-N 3.21Å; I1088-F1092 VanDerWaalsContact O-N 3.13Å; I1088-F1186 HydrophobicContact CG2-CE1 4.19Å; I1088-F1186 HydrophobicContact CG2-CZ 4.28Å
1089D87.6Confident83.6Confident17 Ų1723.8 Ų23.89%0.09115%0.145CC..Hα-helixtrans-72.3-44.1176.1-66.2-72.5000110.9C1054 G1055 G1056 S1086 Y1091 F1092 D1093C1054-D1089 WeakPolarHBondContact CB-OD1 3.21Å; G1055-D1089 PolarHBondContact N-OD1 2.84Å; G1055-D1089 VanDerWaalsContact N-OD1 3.09Å; G1055-D1089 PolarHBondContact N-OD2 2.99Å; G1056-D1089 PolarHBondContact N-OD1 3.32Å; S1086-D1089 VanDerWaalsContact CB-OD2 3.25Å; S1086-D1089 WeakPolarHBondContact CB-OD2 3.46Å; S1086-D1089 PolarHBondContact O-N 3.12Å; S1086-D1089 PolarHBondContact OG-OD2 2.96Å; D1089-Y1091 VanDerWaalsContact C-N 3.3Å; D1089-Y1091 PolarHBondContact O-N 3.31Å; D1089-F1092 PolarHBondContact O-N 3.14Å; D1089-D1093 PolarHBondContact O-N 3.11Å; D1089-D1093 VanDerWaalsContact O-N 3.16Å
1090D85.7Confident82.4Confident31 Ų3121.7 Ų21.717%0.16614%0.139CC..Hα-helixtrans-63.1-35.1174-78.8-40.5000112.3S1086 D1093 W1094 F1147 K1158 Y1164S1086-D1090 PolarHBondContact O-N 2.95Å; S1086-D1090 VanDerWaalsContact O-N 3.16Å; D1090-D1093 PolarHBondContact O-N 3.47Å; D1090-W1094 WeakPolarHBondContact O-CB 3.44Å; D1090-W1094 PolarHBondContact O-N 3.48Å; D1090-F1147 HydrophobicContact CB-CE2 4.38Å; D1090-F1147 HydrophobicContact CB-CZ 4.06Å; D1090-K1158 VanDerWaalsContact OD1-CE 3.27Å; D1090-K1158 WeakPolarHBondContact OD1-CE 3.4Å; D1090-Y1164 HydrophobicContact CB-CE2 3.96Å; D1090-Y1164 WeakPolarHBondContact OD2-CE2 3.34Å; D1090-Y1164 PolarHBondContact OD2-OH 2.67Å
1091Y89.9Confident81.4Confident0 Ų024.2 Ų24.20%016%0.156CC..Hα-helixtrans-63.9-41.7173.6175.5-126.6000112.5W1087 D1089 D1093 W1094 I1095 P1135 F1140 L1144 F1147W1087-Y1091 WeakPolarHBondContact O-CB 3.47Å; W1087-Y1091 PolarHBondContact O-N 3.27Å; D1089-Y1091 VanDerWaalsContact C-N 3.3Å; D1089-Y1091 PolarHBondContact O-N 3.31Å; Y1091-D1093 VanDerWaalsContact C-N 3.31Å; Y1091-D1093 PolarHBondContact O-N 3.07Å; Y1091-W1094 HydrophobicContact CD2-CE3 4.16Å; Y1091-W1094 HydrophobicContact CE2-CE3 4.12Å; Y1091-W1094 HydrophobicContact CE2-CZ3 4.26Å; Y1091-W1094 PolarHBondContact O-N 3.42Å; Y1091-I1095 HydrophobicContact CE2-CB 4.25Å; Y1091-I1095 HydrophobicContact CE2-CD1 4.18Å; Y1091-I1095 VanDerWaalsContact O-CG2 3.29Å; Y1091-I1095 WeakPolarHBondContact O-CG2 3.31Å; Y1091-I1095 PolarHBondContact O-N 3.39Å; Y1091-P1135 HydrophobicContact CE1-CG 4.49Å; Y1091-F1140 HydrophobicContact CD1-CD2 4.37Å; Y1091-F1140 HydrophobicContact CD1-CE2 4.04Å; Y1091-F1140 AromaticContact CE1-CD2 3.67Å; Y1091-F1140 HydrophobicContact CE1-CD2 3.67Å; Y1091-F1140 AromaticContact CE1-CE2 3.73Å; Y1091-F1140 HydrophobicContact CE1-CE2 3.73Å; Y1091-F1140 HydrophobicContact CE1-CG 4.27Å; Y1091-F1140 HydrophobicContact CE1-CZ 4.39Å; Y1091-F1140 PolarHBondContact OH-O 3.33Å; Y1091-L1144 HydrophobicContact CD1-CD1 4.09Å; Y1091-L1144 HydrophobicContact CD2-CD1 4.11Å; Y1091-L1144 HydrophobicContact CE1-CB 4.26Å; Y1091-L1144 HydrophobicContact CE1-CD1 4.18Å; Y1091-L1144 HydrophobicContact CE2-CB 4.22Å; Y1091-L1144 HydrophobicContact CE2-CD1 4.23Å; Y1091-L1144 HydrophobicContact CG-CD1 4.04Å; Y1091-L1144 PolarHBondContact OH-N 3.03Å; Y1091-F1147 HydrophobicContact CD2-CB 3.65Å; Y1091-F1147 AromaticContact CD2-CD1 3.85Å; Y1091-F1147 HydrophobicContact CD2-CD1 3.85Å; Y1091-F1147 HydrophobicContact CD2-CD2 4.21Å; Y1091-F1147 AromaticContact CD2-CG 3.64Å; Y1091-F1147 HydrophobicContact CD2-CG 3.64Å; Y1091-F1147 HydrophobicContact CE2-CB 3.98Å; Y1091-F1147 HydrophobicContact CE2-CG 4.46Å; Y1091-F1147 HydrophobicContact CG-CD1 4.21Å; Y1091-F1147 HydrophobicContact CG-CG 4.39Å
1092F87.7Confident80.9Confident11 Ų1124.8 Ų24.85%0.04816%0.157CC..Hα-helixtrans-63.2-36.5176-63-33.6000112.3Q1050 C1054 I1088 D1089 D1096 R1134 P1135 F1140Q1050-F1092 HydrophobicContact CB-CZ 4.02Å; Q1050-F1092 HydrophobicContact CG-CZ 3.96Å; C1054-F1092 HydrophobicContact CB-CE2 4.08Å; I1088-F1092 HydrophobicContact CD1-CE2 4.18Å; I1088-F1092 HydrophobicContact CD1-CZ 3.83Å; I1088-F1092 HydrophobicContact CG1-CE1 4.17Å; I1088-F1092 HydrophobicContact CG1-CE2 3.73Å; I1088-F1092 HydrophobicContact CG1-CZ 3.52Å; I1088-F1092 WeakPolarHBondContact O-CD2 3.06Å; I1088-F1092 VanDerWaalsContact O-CG 3.23Å; I1088-F1092 WeakPolarHBondContact O-CG 3.3Å; I1088-F1092 PolarHBondContact O-N 3.21Å; I1088-F1092 VanDerWaalsContact O-N 3.13Å; D1089-F1092 PolarHBondContact O-N 3.14Å; F1092-D1096 WeakPolarHBondContact O-CB 3.44Å; F1092-D1096 PolarHBondContact O-N 3.26Å; F1092-R1134 VanDerWaalsContact CE2-CD 3.43Å; F1092-P1135 HydrophobicContact CD1-CG 4.34Å; F1092-P1135 HydrophobicContact CE1-CG 4.25Å; F1092-F1140 HydrophobicContact CE1-CE2 4.45Å
1093D79.9Confident81.1Confident26 Ų2623.5 Ų23.514%0.13915%0.148CC..Hα-helixtrans-74.4-28.7174.7-81.7-35.4000113.8D1089 D1090 Y1091 S1100 K1158D1089-D1093 PolarHBondContact O-N 3.11Å; D1089-D1093 VanDerWaalsContact O-N 3.16Å; D1090-D1093 PolarHBondContact O-N 3.47Å; Y1091-D1093 VanDerWaalsContact C-N 3.31Å; Y1091-D1093 PolarHBondContact O-N 3.07Å; D1093-S1100 PolarHBondContact O-OG 2.79Å; D1093-K1158 HydrophobicContact CB-CD 3.75Å; D1093-K1158 VanDerWaalsContact CG-NZ 3.33Å; D1093-K1158 IonicContact OD2-NZ 3.54Å; D1093-K1158 PolarHBondContact OD2-NZ 3.07Å
1094W85.6Confident81.4Confident0 Ų020.8 Ų20.80%013%0.13CC..Hα-helixtrans-77.8-35.5177.4177.997.8000113.2D1090 Y1091 S1100 C1103 C1104 F1113 F1147 E1150 C1156 K1158D1090-W1094 WeakPolarHBondContact O-CB 3.44Å; D1090-W1094 PolarHBondContact O-N 3.48Å; Y1091-W1094 HydrophobicContact CD2-CE3 4.16Å; Y1091-W1094 HydrophobicContact CE2-CE3 4.12Å; Y1091-W1094 HydrophobicContact CE2-CZ3 4.26Å; Y1091-W1094 PolarHBondContact O-N 3.42Å; W1094-S1100 WeakPolarHBondContact CA-OG 3.4Å; W1094-S1100 PolarHBondContact O-OG 2.97Å; W1094-C1103 HydrophobicContact CG-CB 4.15Å; W1094-C1104 HydrophobicContact CD2-CB 4.46Å; W1094-C1104 HydrophobicContact CE3-CB 4.07Å; W1094-C1104 HydrophobicContact CH2-CB 3.98Å; W1094-C1104 HydrophobicContact CZ2-CB 4.4Å; W1094-C1104 HydrophobicContact CZ3-CB 3.81Å; W1094-C1104 WeakPolarHBondContact CZ3-SG 3.45Å; W1094-C1104 WeakPolarHBondContact O-CB 3.22Å; W1094-F1113 HydrophobicContact CH2-CD2 4.4Å; W1094-F1113 AromaticContact CH2-CE2 3.72Å; W1094-F1113 HydrophobicContact CH2-CE2 3.72Å; W1094-F1113 HydrophobicContact CH2-CZ 4.45Å; W1094-F1113 AromaticContact CZ2-CE2 3.5Å; W1094-F1113 HydrophobicContact CZ2-CE2 3.5Å; W1094-F1113 VanDerWaalsContact CZ2-CE2 3.5Å; W1094-F1113 AromaticContact CZ2-CZ 3.79Å; W1094-F1113 HydrophobicContact CZ2-CZ 3.79Å; W1094-F1147 HydrophobicContact CB-CD2 3.78Å; W1094-F1147 HydrophobicContact CB-CE2 4.04Å; W1094-F1147 AromaticContact CD1-CD2 3.92Å; W1094-F1147 HydrophobicContact CD2-CB 3.99Å; W1094-F1147 AromaticContact CD2-CD2 3.81Å; W1094-F1147 HydrophobicContact CD2-CD2 3.81Å; W1094-F1147 HydrophobicContact CD2-CG 4.37Å; W1094-F1147 HydrophobicContact CE3-CB 3.81Å; W1094-F1147 HydrophobicContact CE3-CD2 4.29Å; W1094-F1147 HydrophobicContact CE3-CG 4.46Å; W1094-F1147 AromaticContact CG-CD2 3.57Å; W1094-F1147 HydrophobicContact CG-CD2 3.57Å; W1094-F1147 HydrophobicContact CG-CE2 4.23Å; W1094-F1147 HydrophobicContact CH2-CB 4.24Å; W1094-F1147 HydrophobicContact CZ2-CB 4.38Å; W1094-F1147 HydrophobicContact CZ3-CB 3.95Å; W1094-E1150 HydrophobicContact CZ2-CB 4.45Å; W1094-C1156 VanDerWaalsContact CD1-SG 3.58Å; W1094-K1158 VanDerWaalsContact CD1-O 3.27Å
1095I88.1Confident81.5Confident1 Ų121.1 Ų21.11%0.00513%0.129CC..Hα-helixtrans-80.7-23.5-179.9-164.6168.1000112.8Y1091 P1097 V1128 L1130 P1135 Y1143Y1091-I1095 HydrophobicContact CE2-CB 4.25Å; Y1091-I1095 HydrophobicContact CE2-CD1 4.18Å; Y1091-I1095 VanDerWaalsContact O-CG2 3.29Å; Y1091-I1095 WeakPolarHBondContact O-CG2 3.31Å; Y1091-I1095 PolarHBondContact O-N 3.39Å; I1095-P1097 WeakPolarHBondContact O-CD 3.22Å; I1095-V1128 HydrophobicContact CD1-CG1 4.01Å; I1095-V1128 HydrophobicContact CG1-CG1 3.89Å; I1095-L1130 HydrophobicContact CG2-CD2 4.46Å; I1095-P1135 HydrophobicContact CD1-CB 4.06Å; I1095-P1135 HydrophobicContact CD1-CG 4.37Å; I1095-Y1143 HydrophobicContact CD1-CD2 3.94Å; I1095-Y1143 HydrophobicContact CD1-CG 4.17Å
1096D80.7Confident81.7Confident15 Ų1519 Ų198%0.0811%0.114CC..  trans-73.9109.1-177.8178.6-1.1000112K94 F1092 S1098 S1099 S1100 L1130K94-D1096 WeakPolarHBondContact CE-OD2 3.29Å; K94-D1096 IonicContact NZ-OD1 2.72Å; K94-D1096 IonicContact NZ-OD2 3.5Å; K94-D1096 PolarHBondContact NZ-OD2 2.9Å; F1092-D1096 WeakPolarHBondContact O-CB 3.44Å; F1092-D1096 PolarHBondContact O-N 3.26Å; D1096-S1098 PolarHBondContact O-N 3Å; D1096-S1098 WeakPolarHBondContact OD1-CA 3.36Å; D1096-S1098 WeakPolarHBondContact OD1-CB 3.39Å; D1096-S1098 PolarHBondContact OD1-N 3.04Å; D1096-S1098 PolarHBondContact OD1-OG 3.37Å; D1096-S1099 PolarHBondContact O-N 2.69Å; D1096-S1099 PolarHBondContact OD1-N 2.64Å; D1096-S1100 PolarHBondContact O-N 3.05Å; D1096-L1130 HydrophobicContact CB-CD1 3.93Å
1097P75.2Confident81.7Confident44 Ų4419.6 Ų19.629%0.28612%0.116SC..THydrogen-bonded Turntrans-68.9-9.8-177.532.5-37.5000112.9I1095 S1101 V1128I1095-P1097 WeakPolarHBondContact O-CD 3.22Å; P1097-S1101 WeakPolarHBondContact O-CA 3.45Å; P1097-S1101 VanDerWaalsContact O-CB 3.28Å; P1097-S1101 WeakPolarHBondContact O-CB 3.34Å; P1097-V1128 HydrophobicContact CG-CG2 4.2Å
1098S65.5Low81.4Confident71 Ų7127.7 Ų27.750%0.49715%0.146SC..THydrogen-bonded Turntrans-103.62.1173.165.60000113.3S90 K94 D1096S90-S1098 PolarHBondContact OG-O 2.88Å; S90-S1098 VanDerWaalsContact OG-O 3.05Å; K94-S1098 PolarHBondContact NZ-O 3.14Å; K94-S1098 PolarHBondContact NZ-OG 3.28Å; D1096-S1098 PolarHBondContact O-N 3Å; D1096-S1098 WeakPolarHBondContact OD1-CA 3.36Å; D1096-S1098 WeakPolarHBondContact OD1-CB 3.39Å; D1096-S1098 PolarHBondContact OD1-N 3.04Å; D1096-S1098 PolarHBondContact OD1-OG 3.37Å
1099S61.6Low81.2Confident7 Ų733 Ų335%0.04918%0.175CC..THydrogen-bonded Turntrans-102.3-48.5165.1-165.80000109.6D1096D1096-S1099 PolarHBondContact O-N 2.69Å; D1096-S1099 PolarHBondContact OD1-N 2.64Å
1100S65.7Low81Confident9 Ų936.1 Ų36.16%0.06319%0.194CC..  trans-138.869.4-174.960.40000112.1D1093 W1094 D1096 L1102 C1103D1093-S1100 PolarHBondContact O-OG 2.79Å; W1094-S1100 WeakPolarHBondContact CA-OG 3.4Å; W1094-S1100 PolarHBondContact O-OG 2.97Å; D1096-S1100 PolarHBondContact O-N 3.05Å; S1100-L1102 PolarHBondContact O-N 2.79Å; S1100-C1103 VanDerWaalsContact CB-SG 3.58Å; S1100-C1103 PolarHBondContact O-N 2.9Å; S1100-C1103 WeakPolarHBondContact OG-CB 3.28Å
1101S67.7Low80.8Confident53 Ų5341.1 Ų41.137%0.37122%0.216SC..THydrogen-bonded Turntrans-53.9-22.3-177.258.90000115.6P1097 S1125P1097-S1101 WeakPolarHBondContact O-CA 3.45Å; P1097-S1101 VanDerWaalsContact O-CB 3.28Å; P1097-S1101 WeakPolarHBondContact O-CB 3.34Å; S1101-S1125 PolarHBondContact O-OG 3.16Å
1102L76.8Confident80.6Confident72 Ų7248 Ų4838%0.37725%0.246SC..THydrogen-bonded Turntrans-91-16.8177.3-64.5174.4000114.5S1100 R1105 P1116 N1155S1100-L1102 PolarHBondContact O-N 2.79Å; L1102-R1105 WeakPolarHBondContact O-CD 3.43Å; L1102-P1116 WeakPolarHBondContact O-CA 3.36Å; L1102-P1116 WeakPolarHBondContact O-CB 3.46Å; L1102-N1155 HydrophobicContact CB-CB 4.47Å; L1102-N1155 HydrophobicContact CD1-CB 4.19Å
1103C83.6Confident80.6Confident0 Ų049.2 Ų49.20%025%0.251CS..THydrogen-bonded Turntrans-76.6-80.4-179.5-76.90000111.7W1094 S1100 R1105 C1156W1094-C1103 HydrophobicContact CG-CB 4.15Å; S1100-C1103 VanDerWaalsContact CB-SG 3.58Å; S1100-C1103 PolarHBondContact O-N 2.9Å; S1100-C1103 WeakPolarHBondContact OG-CB 3.28Å; C1103-R1105 PolarHBondContact O-N 3.02Å; C1103-C1156 HydrophobicContact CB-CB 4.11Å; C1103-C1156 WeakPolarHBondContact CB-SG 3.22Å; C1103-C1156 VanDerWaalsContact SG-CA 3.56Å; C1103-C1156 WeakPolarHBondContact SG-CB 3.4Å; C1103-C1156 CovalentContact SG-SG 2.04Å; C1103-C1156 PolarHBondContact SG-SG 2.56Å
1104C88.2Confident80.9Confident2 Ų248.1 Ų48.11%0.01425%0.246CC..SBendtrans-74.8103.4-179.9-161.40000110.8W1094 S1125 C1126W1094-C1104 HydrophobicContact CD2-CB 4.46Å; W1094-C1104 HydrophobicContact CE3-CB 4.07Å; W1094-C1104 HydrophobicContact CH2-CB 3.98Å; W1094-C1104 HydrophobicContact CZ2-CB 4.4Å; W1094-C1104 HydrophobicContact CZ3-CB 3.81Å; W1094-C1104 WeakPolarHBondContact CZ3-SG 3.45Å; W1094-C1104 WeakPolarHBondContact O-CB 3.22Å; C1104-S1125 CarbonylContact O-C 2.96Å; C1104-S1125 WeakPolarHBondContact O-CA 3.34Å; C1104-C1126 VanDerWaalsContact CA-SG 3.51Å; C1104-C1126 HydrophobicContact CB-CB 3.81Å; C1104-C1126 WeakPolarHBondContact CB-SG 3.43Å; C1104-C1126 PolarHBondContact O-N 3.4Å; C1104-C1126 PolarHBondContact O-SG 3.27Å; C1104-C1126 VanDerWaalsContact O-SG 3.32Å; C1104-C1126 WeakPolarHBondContact SG-CB 3.22Å; C1104-C1126 CovalentContact SG-SG 2.04Å; C1104-C1126 PolarHBondContact SG-SG 3.24Å
1105R87.7Confident80.7Confident20 Ų2051.2 Ų51.28%0.07527%0.266CS..EExtended strand (participates in β ladder)trans-131.8148.3175.7-75.5163.951.8-154.7-12.1112.2L1102 C1103 F1113 C1114 P1116 L1118 C1123 I1124 C1126L1102-R1105 WeakPolarHBondContact O-CD 3.43Å; C1103-R1105 PolarHBondContact O-N 3.02Å; R1105-F1113 WeakPolarHBondContact O-CA 3.47Å; R1105-F1113 WeakPolarHBondContact O-CD2 3.38Å; R1105-C1114 HydrophobicContact CB-CB 3.92Å; R1105-C1114 PolarHBondContact O-N 2.91Å; R1105-P1116 PolarHBondContact NH1-O 3.43Å; R1105-L1118 PolarHBondContact NH2-O 3.05Å; R1105-C1123 VanDerWaalsContact NH2-CB 3.26Å; R1105-I1124 CarbonylContact C-O 3.6Å; R1105-I1124 VanDerWaalsContact CA-O 3.23Å; R1105-I1124 WeakPolarHBondContact CA-O 3.3Å; R1105-C1126 PolarHBondContact N-SG 3.47Å
1106I88.3Confident80.3Confident7 Ų751.5 Ų51.54%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-129.4146.4172.162.2169.1000111.3R1108 K1112 C1114 C1123 I1124 P1127 Y1143I1106-R1108 PolarHBondContact O-N 2.84Å; I1106-K1112 CarbonylContact C-O 3.3Å; I1106-K1112 VanDerWaalsContact CA-O 3.31Å; I1106-K1112 WeakPolarHBondContact CA-O 3.37Å; I1106-C1114 VanDerWaalsContact C-SG 3.59Å; I1106-C1123 WeakPolarHBondContact O-CA 3.32Å; I1106-I1124 HydrophobicContact CG1-CG1 4.02Å; I1106-I1124 PolarHBondContact N-O 2.8Å; I1106-I1124 WeakPolarHBondContact O-CG1 3.2Å; I1106-I1124 PolarHBondContact O-N 2.67Å; I1106-P1127 HydrophobicContact CD1-CG 3.96Å; I1106-Y1143 HydrophobicContact CG2-CE1 4.28Å
1107N88Confident79.9Confident23 Ų2355.3 Ų55.312%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-76.1120.9173.1177.2-77.9000109.3N1109 T1110 H1111 K1112 C1114 D1120 N1122N1107-N1109 PolarHBondContact O-N 2.77Å; N1107-N1109 PolarHBondContact OD1-N 2.91Å; N1107-N1109 VanDerWaalsContact OD1-N 3.12Å; N1107-T1110 WeakPolarHBondContact CB-OG1 3.47Å; N1107-T1110 PolarHBondContact O-N 3.28Å; N1107-T1110 PolarHBondContact OD1-N 3.12Å; N1107-T1110 VanDerWaalsContact OD1-N 3.14Å; N1107-T1110 PolarHBondContact OD1-OG1 3.12Å; N1107-T1110 VanDerWaalsContact OD1-OG1 3.11Å; N1107-H1111 WeakPolarHBondContact O-CA 3.31Å; N1107-H1111 PolarHBondContact O-N 2.74Å; N1107-K1112 PolarHBondContact N-O 3.17Å; N1107-C1114 PolarHBondContact N-SG 3.39Å; N1107-D1120 PolarHBondContact ND2-OD2 3.2Å; N1107-N1122 WeakPolarHBondContact ND2-CB 3.45Å
1108R85.3Confident80.1Confident173 Ų17357.1 Ų57.165%0.65330%0.295SS*.THydrogen-bonded Turntrans-54.4-27.4-173.6-177.4177.9178.9-177.10.3114.7I1106 N1122 I1124I1106-R1108 PolarHBondContact O-N 2.84Å; R1108-N1122 VanDerWaalsContact CB-O 3.3Å; R1108-N1122 WeakPolarHBondContact CB-O 3.05Å; R1108-N1122 PolarHBondContact N-O 3.31Å; R1108-I1124 HydrophobicContact CB-CD1 4.46Å
1109N86.3Confident80.5Confident112 Ų11261.6 Ų61.660%0.59931%0.312SS*.THydrogen-bonded Turntrans-99-25.3-172.7-56-27.7000112.9N1107 N1122N1107-N1109 PolarHBondContact O-N 2.77Å; N1107-N1109 PolarHBondContact OD1-N 2.91Å; N1107-N1109 VanDerWaalsContact OD1-N 3.12Å; N1109-N1122 PolarHBondContact ND2-OD1 3.44Å; N1109-N1122 VanDerWaalsContact ND2-OD1 3.15Å
1110T84.6Confident81.1Confident81 Ų8163.4 Ų63.450%0.49732%0.321SS..THydrogen-bonded Turntrans-113-10.6-175.861.40000113.8N1107 K1112N1107-T1110 WeakPolarHBondContact CB-OG1 3.47Å; N1107-T1110 PolarHBondContact O-N 3.28Å; N1107-T1110 PolarHBondContact OD1-N 3.12Å; N1107-T1110 VanDerWaalsContact OD1-N 3.14Å; N1107-T1110 PolarHBondContact OD1-OG1 3.12Å; N1107-T1110 VanDerWaalsContact OD1-OG1 3.11Å; T1110-K1112 PolarHBondContact O-N 3.09Å
1111H81.2Confident81.7Confident136 Ų13670.7 Ų70.763%0.6336%0.359SS*.  trans54.611.9-172.4-61.1-77.5000115.2N1107N1107-H1111 WeakPolarHBondContact O-CA 3.31Å; N1107-H1111 PolarHBondContact O-N 2.74Å
1112K85.3Confident82.5Confident146 Ų14671.4 Ų71.464%0.63536%0.359SS*.  trans-79.2149.5172.4-64.8-174.1178.4-174.90110.3I1106 N1107 T1110I1106-K1112 CarbonylContact C-O 3.3Å; I1106-K1112 VanDerWaalsContact CA-O 3.31Å; I1106-K1112 WeakPolarHBondContact CA-O 3.37Å; N1107-K1112 PolarHBondContact N-O 3.17Å; T1110-K1112 PolarHBondContact O-N 3.09Å
1113F86.7Confident82.8Confident35 Ų3568.9 Ų68.915%0.15435%0.347CS..BIsolated β-bridgetrans-57.8140.3172.1-178.1-97.1000111.8W1094 R1105 Y1146 E1150W1094-F1113 HydrophobicContact CH2-CD2 4.4Å; W1094-F1113 AromaticContact CH2-CE2 3.72Å; W1094-F1113 HydrophobicContact CH2-CE2 3.72Å; W1094-F1113 HydrophobicContact CH2-CZ 4.45Å; W1094-F1113 AromaticContact CZ2-CE2 3.5Å; W1094-F1113 HydrophobicContact CZ2-CE2 3.5Å; W1094-F1113 VanDerWaalsContact CZ2-CE2 3.5Å; W1094-F1113 AromaticContact CZ2-CZ 3.79Å; W1094-F1113 HydrophobicContact CZ2-CZ 3.79Å; R1105-F1113 WeakPolarHBondContact O-CA 3.47Å; R1105-F1113 WeakPolarHBondContact O-CD2 3.38Å; F1113-Y1146 HydrophobicContact CB-CD1 3.55Å; F1113-Y1146 HydrophobicContact CB-CD2 4.38Å; F1113-Y1146 HydrophobicContact CB-CE1 3.68Å; F1113-Y1146 HydrophobicContact CB-CE2 4.49Å; F1113-Y1146 HydrophobicContact CB-CG 3.94Å; F1113-Y1146 HydrophobicContact CD2-CD1 4.39Å; F1113-Y1146 HydrophobicContact CD2-CD2 4.43Å; F1113-Y1146 AromaticContact CD2-CG 4Å; F1113-Y1146 HydrophobicContact CD2-CG 4Å; F1113-Y1146 AromaticContact CG-CD1 3.98Å; F1113-Y1146 HydrophobicContact CG-CD1 3.98Å; F1113-Y1146 HydrophobicContact CG-CG 4.06Å; F1113-E1150 WeakPolarHBondContact CE1-OE2 3.37Å
1114C86.8Confident82.9Confident3 Ų372.5 Ų72.52%0.0237%0.366CS..  trans-105.7125.2173.2-71.80000110.1R1105 I1106 N1107 C1123R1105-C1114 HydrophobicContact CB-CB 3.92Å; R1105-C1114 PolarHBondContact O-N 2.91Å; I1106-C1114 VanDerWaalsContact C-SG 3.59Å; N1107-C1114 PolarHBondContact N-SG 3.39Å; C1114-C1123 HydrophobicContact CB-CB 3.74Å; C1114-C1123 WeakPolarHBondContact CB-SG 3.29Å; C1114-C1123 WeakPolarHBondContact SG-CB 3.38Å; C1114-C1123 CovalentContact SG-SG 2.04Å; C1114-C1123 PolarHBondContact SG-SG 3.42Å
1115P82.5Confident82.6Confident66 Ų6674.8 Ų74.843%0.42938%0.381SS..  trans-54.9142169.5-25.735.3000112D1117 L1118P1115-D1117 VanDerWaalsContact C-N 3.29Å; P1115-D1117 PolarHBondContact O-N 2.91Å; P1115-L1118 HydrophobicContact CB-CB 4.41Å; P1115-L1118 WeakPolarHBondContact O-CB 3.07Å; P1115-L1118 PolarHBondContact O-N 2.97Å; P1115-L1118 VanDerWaalsContact O-N 3.13Å
1116P77.7Confident82.5Confident7 Ų774 Ų745%0.04538%0.379CS..THydrogen-bonded Turntrans-54.3-42179.8-29.437.1000113.5L1102 R1105 L1118 E1150 N1155 C1156L1102-P1116 WeakPolarHBondContact O-CA 3.36Å; L1102-P1116 WeakPolarHBondContact O-CB 3.46Å; R1105-P1116 PolarHBondContact NH1-O 3.43Å; P1116-L1118 VanDerWaalsContact C-N 3.26Å; P1116-L1118 PolarHBondContact O-N 2.76Å; P1116-E1150 WeakPolarHBondContact CD-OE1 3.46Å; P1116-E1150 VanDerWaalsContact CG-OE1 3.3Å; P1116-E1150 WeakPolarHBondContact CG-OE1 3.45Å; P1116-N1155 HydrophobicContact CB-CB 4.05Å; P1116-C1156 HydrophobicContact CB-CB 3.86Å; P1116-C1156 HydrophobicContact CG-CB 3.54Å
1117D74.1Confident82.4Confident94 Ų9477.3 Ų77.350%0.50340%0.401SS..THydrogen-bonded Turntrans-77.5-7.6-176.1-55.6-36.1000113.7P1115 I1119 N1155P1115-D1117 VanDerWaalsContact C-N 3.29Å; P1115-D1117 PolarHBondContact O-N 2.91Å; D1117-I1119 PolarHBondContact O-N 3.27Å; D1117-N1155 PolarHBondContact OD1-ND2 3.32Å
1118L79.6Confident82.2Confident82 Ų8277.5 Ų77.543%0.42940%0.403SS..  trans-77112.3177.2-179.765.5000110.7R1105 P1115 P1116 D1120R1105-L1118 PolarHBondContact NH2-O 3.05Å; P1115-L1118 HydrophobicContact CB-CB 4.41Å; P1115-L1118 WeakPolarHBondContact O-CB 3.07Å; P1115-L1118 PolarHBondContact O-N 2.97Å; P1115-L1118 VanDerWaalsContact O-N 3.13Å; P1116-L1118 VanDerWaalsContact C-N 3.26Å; P1116-L1118 PolarHBondContact O-N 2.76Å; L1118-D1120 HydrophobicContact CD2-CB 4.18Å; L1118-D1120 HydrophobicContact CG-CB 4.05Å; L1118-D1120 PolarHBondContact O-N 3.05Å; L1118-D1120 VanDerWaalsContact O-N 3.08Å
1119I72.7Confident82.1Confident166 Ų16676.4 Ų76.485%0.85141%0.405SS*.  trans-84.579.4174.8-49.5179.2000109.8D1117D1117-I1119 PolarHBondContact O-N 3.27Å
1120D75.2Confident81.6Confident44 Ų4473.8 Ų73.824%0.23539%0.39CS..  trans-120.4121.8174170.223.4000111.1N1107 L1118 N1122 C1123N1107-D1120 PolarHBondContact ND2-OD2 3.2Å; L1118-D1120 HydrophobicContact CD2-CB 4.18Å; L1118-D1120 HydrophobicContact CG-CB 4.05Å; L1118-D1120 PolarHBondContact O-N 3.05Å; L1118-D1120 VanDerWaalsContact O-N 3.08Å; D1120-N1122 PolarHBondContact O-N 2.89Å; D1120-N1122 VanDerWaalsContact O-N 3.13Å; D1120-N1122 WeakPolarHBondContact OD1-CB 3.43Å; D1120-N1122 PolarHBondContact OD1-N 2.9Å; D1120-N1122 PolarHBondContact OD1-ND2 2.9Å; D1120-C1123 WeakPolarHBondContact O-CB 3.33Å; D1120-C1123 PolarHBondContact O-N 3.27Å
1121N78Confident81.3Confident163 Ų16374.8 Ų74.887%0.87239%0.393SS*.THydrogen-bonded Turntrans-62.4-15.4178.5-66.4-18.6000114
1122N83.6Confident80.8Confident67 Ų6771.8 Ų71.836%0.35838%0.381SS..THydrogen-bonded Turntrans-84.1-10.2174.5-59-88.2000113N1107 R1108 N1109 D1120N1107-N1122 WeakPolarHBondContact ND2-CB 3.45Å; R1108-N1122 VanDerWaalsContact CB-O 3.3Å; R1108-N1122 WeakPolarHBondContact CB-O 3.05Å; R1108-N1122 PolarHBondContact N-O 3.31Å; N1109-N1122 PolarHBondContact ND2-OD1 3.44Å; N1109-N1122 VanDerWaalsContact ND2-OD1 3.15Å; D1120-N1122 PolarHBondContact O-N 2.89Å; D1120-N1122 VanDerWaalsContact O-N 3.13Å; D1120-N1122 WeakPolarHBondContact OD1-CB 3.43Å; D1120-N1122 PolarHBondContact OD1-N 2.9Å; D1120-N1122 PolarHBondContact OD1-ND2 2.9Å
1123C83.7Confident80.2Confident19 Ų1966.2 Ų66.213%0.12837%0.365CS..EExtended strand (participates in β ladder)trans-82.8115.8177.6-650000111.1R1105 I1106 C1114 D1120R1105-C1123 VanDerWaalsContact NH2-CB 3.26Å; I1106-C1123 WeakPolarHBondContact O-CA 3.32Å; C1114-C1123 HydrophobicContact CB-CB 3.74Å; C1114-C1123 WeakPolarHBondContact CB-SG 3.29Å; C1114-C1123 WeakPolarHBondContact SG-CB 3.38Å; C1114-C1123 CovalentContact SG-SG 2.04Å; C1114-C1123 PolarHBondContact SG-SG 3.42Å; D1120-C1123 WeakPolarHBondContact O-CB 3.33Å; D1120-C1123 PolarHBondContact O-N 3.27Å
1124I84.8Confident80Confident77 Ų7765.5 Ų65.540%0.39536%0.362SS..EExtended strand (participates in β ladder)trans-103.8152.6173.458.8174.9000109.7R1105 I1106 R1108R1105-I1124 CarbonylContact C-O 3.6Å; R1105-I1124 VanDerWaalsContact CA-O 3.23Å; R1105-I1124 WeakPolarHBondContact CA-O 3.3Å; I1106-I1124 HydrophobicContact CG1-CG1 4.02Å; I1106-I1124 PolarHBondContact N-O 2.8Å; I1106-I1124 WeakPolarHBondContact O-CG1 3.2Å; I1106-I1124 PolarHBondContact O-N 2.67Å; R1108-I1124 HydrophobicContact CB-CD1 4.46Å
1125S82.4Confident80.1Confident49 Ų4965.6 Ų65.634%0.34336%0.362SS..EExtended strand (participates in β ladder)trans-60.1148.9169.9-49.50000110.5S1101 C1104S1101-S1125 PolarHBondContact O-OG 3.16Å; C1104-S1125 CarbonylContact O-C 2.96Å; C1104-S1125 WeakPolarHBondContact O-CA 3.34Å
1126C86.1Confident80.4Confident4 Ų465.3 Ų65.33%0.02736%0.357CS..PPolyproline II helixtrans-55.1126.9-175.1-69.20000112.1C1104 R1105 V1128 Y1143C1104-C1126 VanDerWaalsContact CA-SG 3.51Å; C1104-C1126 HydrophobicContact CB-CB 3.81Å; C1104-C1126 WeakPolarHBondContact CB-SG 3.43Å; C1104-C1126 PolarHBondContact O-N 3.4Å; C1104-C1126 PolarHBondContact O-SG 3.27Å; C1104-C1126 VanDerWaalsContact O-SG 3.32Å; C1104-C1126 WeakPolarHBondContact SG-CB 3.22Å; C1104-C1126 CovalentContact SG-SG 2.04Å; C1104-C1126 PolarHBondContact SG-SG 3.24Å; R1105-C1126 PolarHBondContact N-SG 3.47Å; C1126-V1128 HydrophobicContact CB-CG1 4.09Å; C1126-V1128 PolarHBondContact O-N 3.44Å; C1126-V1128 VanDerWaalsContact O-N 3.14Å; C1126-Y1143 HydrophobicContact CB-CD1 4.36Å; C1126-Y1143 HydrophobicContact CB-CE1 3.83Å; C1126-Y1143 VanDerWaalsContact SG-CE1 3.56Å
1127P84.9Confident80.8Confident77 Ų7767.1 Ų67.150%0.537%0.373SS..  trans-70.4108.5169.328.2-32000108.9I1106 Y1143I1106-P1127 HydrophobicContact CD1-CG 3.96Å; P1127-Y1143 WeakPolarHBondContact CD-OH 3.02Å; P1127-Y1143 PolarHBondContact O-OH 3.4Å
1128V84.1Confident81.4Confident26 Ų2668.4 Ų68.416%0.15838%0.379CS..  trans-135143.2-178.4-680000111.4I1095 P1097 C1126 L1130 D1139 Y1143I1095-V1128 HydrophobicContact CD1-CG1 4.01Å; I1095-V1128 HydrophobicContact CG1-CG1 3.89Å; P1097-V1128 HydrophobicContact CG-CG2 4.2Å; C1126-V1128 HydrophobicContact CB-CG1 4.09Å; C1126-V1128 PolarHBondContact O-N 3.44Å; C1126-V1128 VanDerWaalsContact O-N 3.14Å; V1128-L1130 HydrophobicContact CB-CD2 4.49Å; V1128-L1130 HydrophobicContact CG2-CD1 4.33Å; V1128-L1130 HydrophobicContact CG2-CD2 4.26Å; V1128-L1130 HydrophobicContact CG2-CG 4.04Å; V1128-D1139 WeakPolarHBondContact CA-OD2 3.49Å; V1128-D1139 HydrophobicContact CG1-CB 4.42Å; V1128-Y1143 HydrophobicContact CG1-CD2 3.75Å; V1128-Y1143 HydrophobicContact CG1-CE2 3.42Å; V1128-Y1143 VanDerWaalsContact CG1-CE2 3.42Å
1129H83.1Confident81.8Confident151 Ų15165 Ų6570%0.69936%0.361SS*.  trans-103.793.5175.3-68.1-67.5000109.9D1139H1129-D1139 PolarHBondContact N-OD2 2.7Å
1130L77.8Confident82.7Confident56 Ų5657.2 Ų57.229%0.29332%0.321SS..EExtended strand (participates in β ladder)trans-88.6124.1178.8-56.7176.8000111.4I1095 D1096 V1128 R1134 P1135I1095-L1130 HydrophobicContact CG2-CD2 4.46Å; D1096-L1130 HydrophobicContact CB-CD1 3.93Å; V1128-L1130 HydrophobicContact CB-CD2 4.49Å; V1128-L1130 HydrophobicContact CG2-CD1 4.33Å; V1128-L1130 HydrophobicContact CG2-CD2 4.26Å; V1128-L1130 HydrophobicContact CG2-CG 4.04Å; L1130-R1134 CarbonylContact C-O 3.54Å; L1130-R1134 WeakPolarHBondContact CA-O 3.26Å; L1130-P1135 HydrophobicContact CD2-CB 4.05Å
1131N76.9Confident83.2Confident103 Ų10356.1 Ų56.155%0.55132%0.317SS*.EExtended strand (participates in β ladder)trans-98.9111169.4-175.727.5000109.1G1133 R1134N1131-G1133 PolarHBondContact O-N 2.77Å; N1131-G1133 VanDerWaalsContact O-N 3.07Å; N1131-R1134 PolarHBondContact N-O 2.98Å; N1131-R1134 WeakPolarHBondContact O-CB 3.46Å; N1131-R1134 PolarHBondContact O-N 3.24Å
1132D70.7Confident83.7Confident72 Ų7252.8 Ų52.839%0.38530%0.296SS..THydrogen-bonded Turntrans41.842.3-173.1-77.310.8000113.6R219 K222R219-D1132 IonicContact NH2-OD2 2.71Å; R219-D1132 PolarHBondContact NH2-OD2 2.04Å; K222-D1132 IonicContact NZ-OD1 3.86Å; K222-D1132 PolarHBondContact NZ-OD1 3.36Å
1133G72.4Confident84Confident29 Ų2949.8 Ų49.830%0.29928%0.28SS..THydrogen-bonded Turntrans85.220.317900000115.6N1131N1131-G1133 PolarHBondContact O-N 2.77Å; N1131-G1133 VanDerWaalsContact O-N 3.07Å
1134R83.7Confident84.4Confident20 Ų2049 Ų498%0.07528%0.275CS..EExtended strand (participates in β ladder)trans-125.3129.4176-63.4-65.9-177.9-82.5-6.2112.1L1047 C1054 T1057 C1059 F1092 L1130 N1131L1047-R1134 HydrophobicContact CD1-CB 3.98Å; L1047-R1134 HydrophobicContact CD1-CG 3.68Å; C1054-R1134 PolarHBondContact SG-NH2 3.1Å; T1057-R1134 PolarHBondContact O-NH2 2.92Å; C1059-R1134 PolarHBondContact SG-NH2 2.69Å; F1092-R1134 VanDerWaalsContact CE2-CD 3.43Å; L1130-R1134 CarbonylContact C-O 3.54Å; L1130-R1134 WeakPolarHBondContact CA-O 3.26Å; N1131-R1134 PolarHBondContact N-O 2.98Å; N1131-R1134 WeakPolarHBondContact O-CB 3.46Å; N1131-R1134 PolarHBondContact O-N 3.24Å
1135P88.3Confident84.7Confident5 Ų547 Ų473%0.03227%0.267CS..EExtended strand (participates in β ladder)trans-70.8151.5176.730.9-35.6000111.7Y1091 F1092 I1095 L1130 D1139 F1140Y1091-P1135 HydrophobicContact CE1-CG 4.49Å; F1092-P1135 HydrophobicContact CD1-CG 4.34Å; F1092-P1135 HydrophobicContact CE1-CG 4.25Å; I1095-P1135 HydrophobicContact CD1-CB 4.06Å; I1095-P1135 HydrophobicContact CD1-CG 4.37Å; L1130-P1135 HydrophobicContact CD2-CB 4.05Å; P1135-D1139 HydrophobicContact CB-CB 3.97Å; P1135-F1140 HydrophobicContact CG-CB 4.19Å; P1135-F1140 HydrophobicContact CG-CD2 4.03Å
1136N88Confident85.1Confident60 Ų6048.2 Ų48.232%0.32126%0.264SS..  trans-71169.1171.580.869.2000111.6L1138 D1139 F1140N1136-L1138 VanDerWaalsContact C-N 3.3Å; N1136-L1138 PolarHBondContact O-N 3.3Å; N1136-L1138 WeakPolarHBondContact OD1-CA 3.36Å; N1136-L1138 VanDerWaalsContact OD1-CB 3.32Å; N1136-L1138 WeakPolarHBondContact OD1-CB 3.46Å; N1136-L1138 PolarHBondContact OD1-N 3.46Å; N1136-D1139 PolarHBondContact ND2-OD1 3.11Å; N1136-D1139 PolarHBondContact ND2-OD2 2.99Å; N1136-D1139 PolarHBondContact O-N 2.96Å; N1136-D1139 PolarHBondContact OD1-N 2.71Å; N1136-F1140 VanDerWaalsContact O-CB 3.25Å; N1136-F1140 WeakPolarHBondContact O-CB 3.47Å; N1136-F1140 PolarHBondContact O-N 2.93Å
1137A86.7Confident85.3Confident46 Ų4648 Ų4838%0.3826%0.263SS..Hα-helixtrans-58-34.7-175.500000115S1141A1137-S1141 WeakPolarHBondContact O-CB 3.46Å; A1137-S1141 PolarHBondContact O-N 2.86Å; A1137-S1141 PolarHBondContact O-OG 2.92Å
1138L86.4Confident85.6Confident121 Ų12145.1 Ų45.163%0.63424%0.243SC*.Hα-helixtrans-72.7-53.7178.1-176.566.2000110.4N1136 F1140 S1141 Q1142N1136-L1138 VanDerWaalsContact C-N 3.3Å; N1136-L1138 PolarHBondContact O-N 3.3Å; N1136-L1138 WeakPolarHBondContact OD1-CA 3.36Å; N1136-L1138 VanDerWaalsContact OD1-CB 3.32Å; N1136-L1138 WeakPolarHBondContact OD1-CB 3.46Å; N1136-L1138 PolarHBondContact OD1-N 3.46Å; L1138-F1140 VanDerWaalsContact C-N 3.31Å; L1138-F1140 PolarHBondContact O-N 2.89Å; L1138-S1141 PolarHBondContact O-N 3.22Å; L1138-S1141 VanDerWaalsContact O-N 3.14Å; L1138-Q1142 WeakPolarHBondContact O-CB 3.31Å; L1138-Q1142 PolarHBondContact O-N 3.21Å
1139D88.8Confident85.9Confident10 Ų1046.8 Ų46.85%0.05326%0.256CS..Hα-helixtrans-56.5-45.9177.8-59.19.9000110.9V1128 H1129 P1135 N1136 S1141 Q1142 Y1143V1128-D1139 WeakPolarHBondContact CA-OD2 3.49Å; V1128-D1139 HydrophobicContact CG1-CB 4.42Å; H1129-D1139 PolarHBondContact N-OD2 2.7Å; P1135-D1139 HydrophobicContact CB-CB 3.97Å; N1136-D1139 PolarHBondContact ND2-OD1 3.11Å; N1136-D1139 PolarHBondContact ND2-OD2 2.99Å; N1136-D1139 PolarHBondContact O-N 2.96Å; N1136-D1139 PolarHBondContact OD1-N 2.71Å; D1139-S1141 VanDerWaalsContact C-N 3.31Å; D1139-S1141 PolarHBondContact O-N 3.23Å; D1139-Q1142 PolarHBondContact O-N 3.25Å; D1139-Y1143 HydrophobicContact CB-CD2 4.11Å; D1139-Y1143 HydrophobicContact CB-CE2 4.26Å; D1139-Y1143 WeakPolarHBondContact O-CD2 3.41Å; D1139-Y1143 PolarHBondContact O-N 3.17Å
1140F90.5Very high86.2Confident2 Ų240.7 Ų40.71%0.00923%0.228CC..Hα-helixtrans-54.8-48.2177.6-176.6-79.9000111.1F1044 T1045 W1087 Y1091 F1092 P1135 N1136 L1138 L1144 V1181F1044-F1140 HydrophobicContact CB-CE1 3.88Å; F1044-F1140 HydrophobicContact CB-CE2 4.43Å; F1044-F1140 HydrophobicContact CB-CZ 3.63Å; T1045-F1140 HydrophobicContact CG2-CD1 4.15Å; W1087-F1140 HydrophobicContact CH2-CZ 4.12Å; W1087-F1140 HydrophobicContact CZ3-CZ 4.2Å; Y1091-F1140 HydrophobicContact CD1-CD2 4.37Å; Y1091-F1140 HydrophobicContact CD1-CE2 4.04Å; Y1091-F1140 AromaticContact CE1-CD2 3.67Å; Y1091-F1140 HydrophobicContact CE1-CD2 3.67Å; Y1091-F1140 AromaticContact CE1-CE2 3.73Å; Y1091-F1140 HydrophobicContact CE1-CE2 3.73Å; Y1091-F1140 HydrophobicContact CE1-CG 4.27Å; Y1091-F1140 HydrophobicContact CE1-CZ 4.39Å; Y1091-F1140 PolarHBondContact OH-O 3.33Å; F1092-F1140 HydrophobicContact CE1-CE2 4.45Å; P1135-F1140 HydrophobicContact CG-CB 4.19Å; P1135-F1140 HydrophobicContact CG-CD2 4.03Å; N1136-F1140 VanDerWaalsContact O-CB 3.25Å; N1136-F1140 WeakPolarHBondContact O-CB 3.47Å; N1136-F1140 PolarHBondContact O-N 2.93Å; L1138-F1140 VanDerWaalsContact C-N 3.31Å; L1138-F1140 PolarHBondContact O-N 2.89Å; F1140-L1144 HydrophobicContact CE1-CD2 3.85Å; F1140-L1144 HydrophobicContact CZ-CD2 4.12Å; F1140-L1144 WeakPolarHBondContact O-CB 3.38Å; F1140-L1144 PolarHBondContact O-N 3.3Å; F1140-V1181 HydrophobicContact CE1-CG2 3.91Å; F1140-V1181 HydrophobicContact CZ-CG2 4.33Å
1141S86.8Confident86.6Confident21 Ų2140.1 Ų40.115%0.14723%0.225CC..Hα-helixtrans-72.5-32.2-178.1-520000112.6A1137 L1138 D1139 P1145 V1179A1137-S1141 WeakPolarHBondContact O-CB 3.46Å; A1137-S1141 PolarHBondContact O-N 2.86Å; A1137-S1141 PolarHBondContact O-OG 2.92Å; L1138-S1141 PolarHBondContact O-N 3.22Å; L1138-S1141 VanDerWaalsContact O-N 3.14Å; D1139-S1141 VanDerWaalsContact C-N 3.31Å; D1139-S1141 PolarHBondContact O-N 3.23Å; S1141-P1145 WeakPolarHBondContact O-CD 3.46Å; S1141-V1179 WeakPolarHBondContact CB-O 3.38Å; S1141-V1179 PolarHBondContact OG-O 3.05Å
1142Q87.6Confident86.8Confident93 Ų9336.5 Ų36.544%0.43521%0.207SC..Hα-helixtrans-75.9-41.9-178.7178.4177.1-1600113.1L1138 D1139L1138-Q1142 WeakPolarHBondContact O-CB 3.31Å; L1138-Q1142 PolarHBondContact O-N 3.21Å; D1139-Q1142 PolarHBondContact O-N 3.25Å
1143Y90.1Very high87Confident4 Ų433.7 Ų33.72%0.01620%0.195CC..Hα-helixtrans-98.2-19.9-169.6-64-70.7000114.4I1095 I1106 C1126 P1127 V1128 D1139 P1145 Y1146 F1147I1095-Y1143 HydrophobicContact CD1-CD2 3.94Å; I1095-Y1143 HydrophobicContact CD1-CG 4.17Å; I1106-Y1143 HydrophobicContact CG2-CE1 4.28Å; C1126-Y1143 HydrophobicContact CB-CD1 4.36Å; C1126-Y1143 HydrophobicContact CB-CE1 3.83Å; C1126-Y1143 VanDerWaalsContact SG-CE1 3.56Å; P1127-Y1143 WeakPolarHBondContact CD-OH 3.02Å; P1127-Y1143 PolarHBondContact O-OH 3.4Å; V1128-Y1143 HydrophobicContact CG1-CD2 3.75Å; V1128-Y1143 HydrophobicContact CG1-CE2 3.42Å; V1128-Y1143 VanDerWaalsContact CG1-CE2 3.42Å; D1139-Y1143 HydrophobicContact CB-CD2 4.11Å; D1139-Y1143 HydrophobicContact CB-CE2 4.26Å; D1139-Y1143 WeakPolarHBondContact O-CD2 3.41Å; D1139-Y1143 PolarHBondContact O-N 3.17Å; Y1143-P1145 VanDerWaalsContact C-CD 3.46Å; Y1143-Y1146 HydrophobicContact CD1-CD2 4.22Å; Y1143-Y1146 PolarHBondContact O-N 2.75Å; Y1143-Y1146 VanDerWaalsContact O-N 3.09Å; Y1143-F1147 PolarHBondContact O-N 3.27Å
1144L91.6Very high87Confident3 Ų336.1 Ų36.12%0.01621%0.208CC..Hα-helixtrans-58.3-38.5177.5-179.464.8000114.1W1087 Y1091 F1140 Y1146 F1147 L1148 L1170 V1181W1087-L1144 HydrophobicContact CE3-CD1 4.2Å; W1087-L1144 HydrophobicContact CZ3-CD1 3.86Å; W1087-L1144 HydrophobicContact CZ3-CD2 4.17Å; Y1091-L1144 HydrophobicContact CD1-CD1 4.09Å; Y1091-L1144 HydrophobicContact CD2-CD1 4.11Å; Y1091-L1144 HydrophobicContact CE1-CB 4.26Å; Y1091-L1144 HydrophobicContact CE1-CD1 4.18Å; Y1091-L1144 HydrophobicContact CE2-CB 4.22Å; Y1091-L1144 HydrophobicContact CE2-CD1 4.23Å; Y1091-L1144 HydrophobicContact CG-CD1 4.04Å; Y1091-L1144 PolarHBondContact OH-N 3.03Å; F1140-L1144 HydrophobicContact CE1-CD2 3.85Å; F1140-L1144 HydrophobicContact CZ-CD2 4.12Å; F1140-L1144 WeakPolarHBondContact O-CB 3.38Å; F1140-L1144 PolarHBondContact O-N 3.3Å; L1144-Y1146 VanDerWaalsContact C-N 3.26Å; L1144-Y1146 PolarHBondContact O-N 2.74Å; L1144-F1147 HydrophobicContact CD1-CD1 3.97Å; L1144-F1147 PolarHBondContact O-N 2.87Å; L1144-L1148 HydrophobicContact CD1-CD1 4.11Å; L1144-L1148 HydrophobicContact CD1-CG 4.17Å; L1144-L1148 HydrophobicContact CG-CD1 4.04Å; L1144-L1148 PolarHBondContact O-N 3.45Å; L1144-L1148 VanDerWaalsContact O-N 3.12Å; L1144-L1170 HydrophobicContact CD2-CD2 3.9Å; L1144-L1170 HydrophobicContact CG-CD2 4.29Å; L1144-V1181 HydrophobicContact CD2-CG2 3.4Å
1145P91.3Very high86.6Confident35 Ų3538.6 Ų38.623%0.22722%0.222CC..Hα-helixtrans-61.5-32.6175-23.634.8000113.4S1141 Y1143 S1149 L1170 V1179S1141-P1145 WeakPolarHBondContact O-CD 3.46Å; Y1143-P1145 VanDerWaalsContact C-CD 3.46Å; P1145-S1149 PolarHBondContact O-N 2.96Å; P1145-S1149 PolarHBondContact O-OG 3.08Å; P1145-S1149 VanDerWaalsContact O-OG 3.08Å; P1145-L1170 HydrophobicContact CB-CD1 4.22Å; P1145-L1170 HydrophobicContact CG-CD1 4.22Å; P1145-V1179 HydrophobicContact CG-CB 4.39Å; P1145-V1179 HydrophobicContact CG-CG1 4.23Å; P1145-V1179 HydrophobicContact CG-CG2 4.11Å
1146Y91.1Very high86.1Confident75 Ų7538.4 Ų38.429%0.29422%0.221SC..Hα-helixtrans-71.8-47.1177.5-62.8-56.6000110.9F1113 Y1143 L1144 L1148 S1149 E1150F1113-Y1146 HydrophobicContact CB-CD1 3.55Å; F1113-Y1146 HydrophobicContact CB-CD2 4.38Å; F1113-Y1146 HydrophobicContact CB-CE1 3.68Å; F1113-Y1146 HydrophobicContact CB-CE2 4.49Å; F1113-Y1146 HydrophobicContact CB-CG 3.94Å; F1113-Y1146 HydrophobicContact CD2-CD1 4.39Å; F1113-Y1146 HydrophobicContact CD2-CD2 4.43Å; F1113-Y1146 AromaticContact CD2-CG 4Å; F1113-Y1146 HydrophobicContact CD2-CG 4Å; F1113-Y1146 AromaticContact CG-CD1 3.98Å; F1113-Y1146 HydrophobicContact CG-CD1 3.98Å; F1113-Y1146 HydrophobicContact CG-CG 4.06Å; Y1143-Y1146 HydrophobicContact CD1-CD2 4.22Å; Y1143-Y1146 PolarHBondContact O-N 2.75Å; Y1143-Y1146 VanDerWaalsContact O-N 3.09Å; L1144-Y1146 VanDerWaalsContact C-N 3.26Å; L1144-Y1146 PolarHBondContact O-N 2.74Å; Y1146-L1148 VanDerWaalsContact C-N 3.33Å; Y1146-L1148 PolarHBondContact O-N 3.07Å; Y1146-S1149 WeakPolarHBondContact CA-OG 3.47Å; Y1146-S1149 CarbonylContact O-C 3.37Å; Y1146-S1149 WeakPolarHBondContact O-CA 3.4Å; Y1146-S1149 PolarHBondContact O-N 3.39Å; Y1146-S1149 PolarHBondContact O-OG 2.71Å; Y1146-E1150 PolarHBondContact O-N 2.73Å
1147F91.7Very high85.4Confident0 Ų037 Ų370%022%0.216CC..Hα-helixtrans-52.3-47173.8168.3-108.4000113D1090 Y1091 W1094 Y1143 L1144 S1149 E1150 K1158 G1160 Y1164D1090-F1147 HydrophobicContact CB-CE2 4.38Å; D1090-F1147 HydrophobicContact CB-CZ 4.06Å; Y1091-F1147 HydrophobicContact CD2-CB 3.65Å; Y1091-F1147 AromaticContact CD2-CD1 3.85Å; Y1091-F1147 HydrophobicContact CD2-CD1 3.85Å; Y1091-F1147 HydrophobicContact CD2-CD2 4.21Å; Y1091-F1147 AromaticContact CD2-CG 3.64Å; Y1091-F1147 HydrophobicContact CD2-CG 3.64Å; Y1091-F1147 HydrophobicContact CE2-CB 3.98Å; Y1091-F1147 HydrophobicContact CE2-CG 4.46Å; Y1091-F1147 HydrophobicContact CG-CD1 4.21Å; Y1091-F1147 HydrophobicContact CG-CG 4.39Å; W1094-F1147 HydrophobicContact CB-CD2 3.78Å; W1094-F1147 HydrophobicContact CB-CE2 4.04Å; W1094-F1147 AromaticContact CD1-CD2 3.92Å; W1094-F1147 HydrophobicContact CD2-CB 3.99Å; W1094-F1147 AromaticContact CD2-CD2 3.81Å; W1094-F1147 HydrophobicContact CD2-CD2 3.81Å; W1094-F1147 HydrophobicContact CD2-CG 4.37Å; W1094-F1147 HydrophobicContact CE3-CB 3.81Å; W1094-F1147 HydrophobicContact CE3-CD2 4.29Å; W1094-F1147 HydrophobicContact CE3-CG 4.46Å; W1094-F1147 AromaticContact CG-CD2 3.57Å; W1094-F1147 HydrophobicContact CG-CD2 3.57Å; W1094-F1147 HydrophobicContact CG-CE2 4.23Å; W1094-F1147 HydrophobicContact CH2-CB 4.24Å; W1094-F1147 HydrophobicContact CZ2-CB 4.38Å; W1094-F1147 HydrophobicContact CZ3-CB 3.95Å; Y1143-F1147 PolarHBondContact O-N 3.27Å; L1144-F1147 HydrophobicContact CD1-CD1 3.97Å; L1144-F1147 PolarHBondContact O-N 2.87Å; F1147-S1149 PolarHBondContact O-N 3.32Å; F1147-E1150 PolarHBondContact O-N 2.89Å; F1147-K1158 WeakPolarHBondContact CE2-O 3.5Å; F1147-G1160 VanDerWaalsContact O-CA 3.26Å; F1147-G1160 WeakPolarHBondContact O-CA 3.49Å; F1147-G1160 PolarHBondContact O-N 3.34Å; F1147-G1160 VanDerWaalsContact O-N 3.11Å; F1147-Y1164 HydrophobicContact CE1-CD2 4.11Å; F1147-Y1164 AromaticContact CZ-CD2 3.8Å; F1147-Y1164 HydrophobicContact CZ-CD2 3.8Å; F1147-Y1164 HydrophobicContact CZ-CE2 4.22Å
1148L91.2Very high84.8Confident16 Ų1635.8 Ų35.88%0.08420%0.202CC..THydrogen-bonded Turntrans-72.5-9.3179.8-65.5173.1000113.9L1144 Y1146 K1161 V1168 L1170L1144-L1148 HydrophobicContact CD1-CD1 4.11Å; L1144-L1148 HydrophobicContact CD1-CG 4.17Å; L1144-L1148 HydrophobicContact CG-CD1 4.04Å; L1144-L1148 PolarHBondContact O-N 3.45Å; L1144-L1148 VanDerWaalsContact O-N 3.12Å; Y1146-L1148 VanDerWaalsContact C-N 3.33Å; Y1146-L1148 PolarHBondContact O-N 3.07Å; L1148-K1161 WeakPolarHBondContact O-CA 3.32Å; L1148-V1168 HydrophobicContact CD1-CB 3.84Å; L1148-V1168 HydrophobicContact CD1-CG1 3.88Å; L1148-V1168 HydrophobicContact CD2-CB 4.13Å; L1148-V1168 HydrophobicContact CD2-CG2 4.15Å; L1148-L1170 HydrophobicContact CD1-CD1 4.1Å; L1148-L1170 HydrophobicContact CD1-CD2 3.92Å; L1148-L1170 HydrophobicContact CD1-CG 4.1Å
1149S89.5Confident84.6Confident61 Ų6130.5 Ų30.543%0.42718%0.176SC..THydrogen-bonded Turntrans-106.2-5.5172.863.40000114.2P1145 Y1146 F1147 K1161P1145-S1149 PolarHBondContact O-N 2.96Å; P1145-S1149 PolarHBondContact O-OG 3.08Å; P1145-S1149 VanDerWaalsContact O-OG 3.08Å; Y1146-S1149 WeakPolarHBondContact CA-OG 3.47Å; Y1146-S1149 CarbonylContact O-C 3.37Å; Y1146-S1149 WeakPolarHBondContact O-CA 3.4Å; Y1146-S1149 PolarHBondContact O-N 3.39Å; Y1146-S1149 PolarHBondContact O-OG 2.71Å; F1147-S1149 PolarHBondContact O-N 3.32Å; S1149-K1161 WeakPolarHBondContact O-CD 3.48Å
1150E89.1Confident84.4Confident22 Ų2230 Ų3010%0.10317%0.173CC..PPolyproline II helixtrans-83.6129.3-176.7-174.854.6-153.600112.1W1094 F1113 P1116 Y1146 F1147 G1159 G1160 K1161W1094-E1150 HydrophobicContact CZ2-CB 4.45Å; F1113-E1150 WeakPolarHBondContact CE1-OE2 3.37Å; P1116-E1150 WeakPolarHBondContact CD-OE1 3.46Å; P1116-E1150 VanDerWaalsContact CG-OE1 3.3Å; P1116-E1150 WeakPolarHBondContact CG-OE1 3.45Å; Y1146-E1150 PolarHBondContact O-N 2.73Å; F1147-E1150 PolarHBondContact O-N 2.89Å; E1150-G1159 CarbonylContact O-C 3.58Å; E1150-G1159 VanDerWaalsContact O-CA 3.27Å; E1150-G1159 WeakPolarHBondContact O-CA 3.32Å; E1150-G1160 PolarHBondContact O-N 2.04Å; E1150-K1161 WeakPolarHBondContact O-CB 3.39Å; E1150-K1161 PolarHBondContact O-N 2.95Å
1151N86.9Confident84.4Confident45 Ų4530.9 Ų30.924%0.24118%0.177CC..PPolyproline II helixtrans-80147.4177.4-58.7-46.7000110.6D485 G1153 K1161D485-N1151 PolarHBondContact OD2-ND2 3.25Å; D485-N1151 PolarHBondContact OD2-OD1 3.36Å; N1151-G1153 PolarHBondContact O-N 3.16Å; N1151-K1161 VanDerWaalsContact OD1-CD 3.31Å; N1151-K1161 WeakPolarHBondContact OD1-CD 3.49Å; N1151-K1161 WeakPolarHBondContact OD1-CE 3.22Å; N1151-K1161 PolarHBondContact OD1-NZ 3.4Å; N1151-K1161 VanDerWaalsContact OD1-NZ 3.15Å
1152P80.3Confident84.3Confident26 Ų2630.3 Ų30.317%0.16917%0.174CC..PPolyproline II helixtrans-69.5129.5171.729.4-34.1000110.8L546 A1162L546-P1152 HydrophobicContact CD1-CB 4.25Å; L546-P1152 HydrophobicContact CD1-CG 4.06Å; P1152-A1162 HydrophobicContact CG-CB 4.13Å
1153G76Confident84.2Confident14 Ų1427.8 Ų27.814%0.14417%0.169CC..  trans-135.7-178-178.500000113.8T534 N1151 C1156 P1157T534-G1153 WeakPolarHBondContact CB-O 3.43Å; T534-G1153 WeakPolarHBondContact CG2-O 3.49Å; T534-G1153 PolarHBondContact OG1-O 3.16Å; N1151-G1153 PolarHBondContact O-N 3.16Å; G1153-C1156 PolarHBondContact N-O 3.21Å; G1153-C1156 CarbonylContact O-C 3.57Å; G1153-C1156 VanDerWaalsContact O-C 3.27Å; G1153-P1157 WeakPolarHBondContact O-CA 3.34Å; G1153-P1157 WeakPolarHBondContact O-CD 3.27Å
1154S71.1Confident84.2Confident80 Ų8028.7 Ų28.756%0.55917%0.172SC*.SBendtrans-70.7-40.1177.755.40000112.3T534T534-S1154 WeakPolarHBondContact OG1-CA 3.35Å
1155N75Confident84Confident71 Ų7130.6 Ų30.638%0.3819%0.186SC..SBendtrans-80.2-20.8175.5-67.2-64.7000113.5L1102 P1116 D1117L1102-N1155 HydrophobicContact CB-CB 4.47Å; L1102-N1155 HydrophobicContact CD1-CB 4.19Å; P1116-N1155 HydrophobicContact CB-CB 4.05Å; D1117-N1155 PolarHBondContact OD1-ND2 3.32Å
1156C78.7Confident83.8Confident1 Ų131.2 Ų31.21%0.00719%0.189CC..  trans-143.782.4178.1-171.50000112W1094 C1103 P1116 G1153 K1158W1094-C1156 VanDerWaalsContact CD1-SG 3.58Å; C1103-C1156 HydrophobicContact CB-CB 4.11Å; C1103-C1156 WeakPolarHBondContact CB-SG 3.22Å; C1103-C1156 VanDerWaalsContact SG-CA 3.56Å; C1103-C1156 WeakPolarHBondContact SG-CB 3.4Å; C1103-C1156 CovalentContact SG-SG 2.04Å; C1103-C1156 PolarHBondContact SG-SG 2.56Å; P1116-C1156 HydrophobicContact CB-CB 3.86Å; P1116-C1156 HydrophobicContact CG-CB 3.54Å; G1153-C1156 PolarHBondContact N-O 3.21Å; G1153-C1156 CarbonylContact O-C 3.57Å; G1153-C1156 VanDerWaalsContact O-C 3.27Å; C1156-K1158 PolarHBondContact O-N 2.87Å
1157P72.7Confident83.7Confident32 Ų3227.8 Ų27.821%0.20818%0.176CC..SBendtrans-59.8-28176.1-2732000115M91 G1153 G1159M91-P1157 HydrophobicContact CE-CB 4.12Å; M91-P1157 HydrophobicContact CE-CG 4.11Å; M91-P1157 HydrophobicContact SD-CG 4.28Å; G1153-P1157 WeakPolarHBondContact O-CA 3.34Å; G1153-P1157 WeakPolarHBondContact O-CD 3.27Å; P1157-G1159 VanDerWaalsContact C-N 3.25Å; P1157-G1159 PolarHBondContact O-N 3.46Å; P1157-G1159 VanDerWaalsContact O-N 3.13Å
1158K74.9Confident83.8Confident20 Ų2028.1 Ų28.19%0.08718%0.178CC..  trans-86.241.3-175.9-75.2-179.4172170.10113.7M91 D1090 D1093 W1094 F1147 C1156 G1160M91-K1158 HydrophobicContact CE-CB 4.05Å; M91-K1158 HydrophobicContact CE-CD 3.82Å; M91-K1158 HydrophobicContact CE-CG 3.67Å; D1090-K1158 VanDerWaalsContact OD1-CE 3.27Å; D1090-K1158 WeakPolarHBondContact OD1-CE 3.4Å; D1093-K1158 HydrophobicContact CB-CD 3.75Å; D1093-K1158 VanDerWaalsContact CG-NZ 3.33Å; D1093-K1158 IonicContact OD2-NZ 3.54Å; D1093-K1158 PolarHBondContact OD2-NZ 3.07Å; W1094-K1158 VanDerWaalsContact CD1-O 3.27Å; F1147-K1158 WeakPolarHBondContact CE2-O 3.5Å; C1156-K1158 PolarHBondContact O-N 2.87Å; K1158-G1160 PolarHBondContact O-N 3.17Å
1159G80.6Confident83.9Confident9 Ų932.2 Ų32.29%0.09319%0.193CC..  trans-72.2116.4173.400000111.7E1150 P1157 K1161E1150-G1159 CarbonylContact O-C 3.58Å; E1150-G1159 VanDerWaalsContact O-CA 3.27Å; E1150-G1159 WeakPolarHBondContact O-CA 3.32Å; P1157-G1159 VanDerWaalsContact C-N 3.25Å; P1157-G1159 PolarHBondContact O-N 3.46Å; P1157-G1159 VanDerWaalsContact O-N 3.13Å; G1159-K1161 VanDerWaalsContact C-N 3.28Å; G1159-K1161 PolarHBondContact O-N 3.18Å
1160G85.9Confident83.9Confident0 Ų032.1 Ų32.10%019%0.187CC..Hα-helixtrans-71.3-15.2-171.600000115.2F1147 E1150 K1158 A1162 Y1164 S1165F1147-G1160 VanDerWaalsContact O-CA 3.26Å; F1147-G1160 WeakPolarHBondContact O-CA 3.49Å; F1147-G1160 PolarHBondContact O-N 3.34Å; F1147-G1160 VanDerWaalsContact O-N 3.11Å; E1150-G1160 PolarHBondContact O-N 2.04Å; K1158-G1160 PolarHBondContact O-N 3.17Å; G1160-A1162 PolarHBondContact O-N 2.91Å; G1160-Y1164 WeakPolarHBondContact O-CA 3.42Å; G1160-Y1164 WeakPolarHBondContact O-CB 3.03Å; G1160-Y1164 PolarHBondContact O-N 3.16Å; G1160-S1165 PolarHBondContact O-N 2.89Å
1161K89.3Confident83.8Confident21 Ų2133.8 Ų33.89%0.09120%0.196CC..Hα-helixtrans-65.1-39.2-172.2-176.4167.4150.8-168.20113.9L482 D485 L1148 S1149 E1150 N1151 G1159 S1165L482-K1161 HydrophobicContact CD2-CB 4.26Å; L482-K1161 HydrophobicContact CD2-CD 4.45Å; L482-K1161 HydrophobicContact CD2-CG 4Å; L482-K1161 WeakPolarHBondContact O-CE 3.26Å; L482-K1161 PolarHBondContact O-NZ 2.91Å; D485-K1161 IonicContact OD1-NZ 2.65Å; D485-K1161 PolarHBondContact OD1-NZ 2.99Å; D485-K1161 IonicContact OD2-NZ 2.73Å; D485-K1161 PolarHBondContact OD2-NZ 3.11Å; L1148-K1161 WeakPolarHBondContact O-CA 3.32Å; S1149-K1161 WeakPolarHBondContact O-CD 3.48Å; E1150-K1161 WeakPolarHBondContact O-CB 3.39Å; E1150-K1161 PolarHBondContact O-N 2.95Å; N1151-K1161 VanDerWaalsContact OD1-CD 3.31Å; N1151-K1161 WeakPolarHBondContact OD1-CD 3.49Å; N1151-K1161 WeakPolarHBondContact OD1-CE 3.22Å; N1151-K1161 PolarHBondContact OD1-NZ 3.4Å; N1151-K1161 VanDerWaalsContact OD1-NZ 3.15Å; G1159-K1161 VanDerWaalsContact C-N 3.28Å; G1159-K1161 PolarHBondContact O-N 3.18Å; K1161-S1165 VanDerWaalsContact O-CB 3.24Å; K1161-S1165 WeakPolarHBondContact O-CB 3.06Å; K1161-S1165 PolarHBondContact O-OG 3.47Å
1162A85.6Confident83.6Confident8 Ų840.3 Ų40.37%0.06622%0.218CC..Hα-helixtrans-64.6-49.9-178.800000112.4L482 M551 P1152 G1160L482-A1162 HydrophobicContact CD2-CB 3.9Å; M551-A1162 HydrophobicContact SD-CB 3.94Å; P1152-A1162 HydrophobicContact CG-CB 4.13Å; G1160-A1162 PolarHBondContact O-N 2.91Å
1163A84.7Confident83.4Confident41 Ų4141.9 Ų41.934%0.33923%0.225SC..Hα-helixtrans-93.9-29.4-170.200000114.4
1164Y90.4Very high83.3Confident22 Ų2249.1 Ų49.19%0.08626%0.26CS..Hα-helixtrans-125.7-12.3-161.9-52.1-50.8000115.4S1086 W1087 D1090 F1147 G1160 T1166 G1167 V1168S1086-Y1164 PolarHBondContact N-OH 2.78Å; W1087-Y1164 HydrophobicContact CB-CD1 3.59Å; W1087-Y1164 HydrophobicContact CB-CD2 3.8Å; W1087-Y1164 HydrophobicContact CB-CE1 4.01Å; W1087-Y1164 HydrophobicContact CB-CE2 4.21Å; W1087-Y1164 HydrophobicContact CB-CG 3.46Å; W1087-Y1164 VanDerWaalsContact CB-CG 3.46Å; D1090-Y1164 HydrophobicContact CB-CE2 3.96Å; D1090-Y1164 WeakPolarHBondContact OD2-CE2 3.34Å; D1090-Y1164 PolarHBondContact OD2-OH 2.67Å; F1147-Y1164 HydrophobicContact CE1-CD2 4.11Å; F1147-Y1164 AromaticContact CZ-CD2 3.8Å; F1147-Y1164 HydrophobicContact CZ-CD2 3.8Å; F1147-Y1164 HydrophobicContact CZ-CE2 4.22Å; G1160-Y1164 WeakPolarHBondContact O-CA 3.42Å; G1160-Y1164 WeakPolarHBondContact O-CB 3.03Å; G1160-Y1164 PolarHBondContact O-N 3.16Å; Y1164-T1166 VanDerWaalsContact C-N 3.27Å; Y1164-T1166 PolarHBondContact O-N 2.8Å; Y1164-G1167 PolarHBondContact O-N 3.13Å; Y1164-V1168 PolarHBondContact O-N 3.07Å; Y1164-V1168 VanDerWaalsContact O-N 3.14Å
1165S88.2Confident83.4Confident44 Ų4452.9 Ų52.931%0.30827%0.272SS..THydrogen-bonded Turntrans-56.7-36.8-179.559.70000114G1160 K1161G1160-S1165 PolarHBondContact O-N 2.89Å; K1161-S1165 VanDerWaalsContact O-CB 3.24Å; K1161-S1165 WeakPolarHBondContact O-CB 3.06Å; K1161-S1165 PolarHBondContact O-OG 3.47Å
1166T86.9Confident83.1Confident48 Ų4852.8 Ų52.829%0.29428%0.277SS..THydrogen-bonded Turntrans-85.5-14.6175.750.50000113.4F406 F479 Y1164 Y1185F406-T1166 WeakPolarHBondContact CD1-O 3.49Å; F479-T1166 HydrophobicContact CE2-CG2 4.2Å; F479-T1166 HydrophobicContact CZ-CG2 4.24Å; Y1164-T1166 VanDerWaalsContact C-N 3.27Å; Y1164-T1166 PolarHBondContact O-N 2.8Å; T1166-Y1185 PolarHBondContact OG1-OH 3Å
1167G89.7Confident82.6Confident2 Ų258.6 Ų58.62%0.02131%0.308CS..THydrogen-bonded Turntrans-100.2-8-174.400000115.8Y1164 N1184 Y1185Y1164-G1167 PolarHBondContact O-N 3.13Å; G1167-N1184 CarbonylContact O-C 3.48Å; G1167-N1184 WeakPolarHBondContact O-CA 3.25Å; G1167-N1184 VanDerWaalsContact O-CB 3.29Å; G1167-N1184 WeakPolarHBondContact O-CB 3.45Å; G1167-Y1185 VanDerWaalsContact CA-CE1 3.42Å; G1167-Y1185 VanDerWaalsContact CA-CZ 3.41Å; G1167-Y1185 PolarHBondContact O-N 2.84Å
1168V93.5Very high82.7Confident7 Ų759.2 Ų59.24%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-127.8102180-173.40000110.2W1087 L1148 Y1164 L1170 V1181 N1184W1087-V1168 HydrophobicContact CB-CG2 3.98Å; W1087-V1168 HydrophobicContact CD2-CG1 4.47Å; W1087-V1168 HydrophobicContact CD2-CG2 3.52Å; W1087-V1168 HydrophobicContact CE3-CG2 4.09Å; W1087-V1168 HydrophobicContact CG-CG2 3.45Å; W1087-V1168 VanDerWaalsContact CG-CG2 3.45Å; W1087-V1168 HydrophobicContact CH2-CG1 4.41Å; W1087-V1168 HydrophobicContact CZ2-CG1 4.35Å; W1087-V1168 HydrophobicContact CZ3-CG1 4.48Å; L1148-V1168 HydrophobicContact CD1-CB 3.84Å; L1148-V1168 HydrophobicContact CD1-CG1 3.88Å; L1148-V1168 HydrophobicContact CD2-CB 4.13Å; L1148-V1168 HydrophobicContact CD2-CG2 4.15Å; Y1164-V1168 PolarHBondContact O-N 3.07Å; Y1164-V1168 VanDerWaalsContact O-N 3.14Å; V1168-L1170 HydrophobicContact CG1-CD2 4.42Å; V1168-L1170 PolarHBondContact O-N 2.95Å; V1168-V1181 HydrophobicContact CG1-CG1 4.11Å; V1168-N1184 HydrophobicContact CG1-CB 4.43Å; V1168-N1184 HydrophobicContact CG2-CB 4.37Å
1169R92.1Very high83Confident103 Ų10359.4 Ų59.439%0.38932%0.316SS..EExtended strand (participates in β ladder)trans-79.4123.7178.6-168.5178.2-179.1127-18110.7Q404 Q405 G1182 A1183Q404-R1169 PolarHBondContact O-NH1 3.32Å; Q404-R1169 VanDerWaalsContact O-NH1 3.13Å; Q405-R1169 PolarHBondContact O-NH1 2.04Å; R1169-G1182 PolarHBondContact O-N 2.86Å; R1169-A1183 VanDerWaalsContact CB-O 3.29Å; R1169-A1183 WeakPolarHBondContact CB-O 3.44Å; R1169-A1183 PolarHBondContact N-O 3.46Å
1170L90.8Very high83.2Confident59 Ų5961.8 Ų61.831%0.30933%0.329SS..EExtended strand (participates in β ladder)trans-92.4124.8175.5-60-179.5000110.7L1144 P1145 L1148 V1168 V1179L1144-L1170 HydrophobicContact CD2-CD2 3.9Å; L1144-L1170 HydrophobicContact CG-CD2 4.29Å; P1145-L1170 HydrophobicContact CB-CD1 4.22Å; P1145-L1170 HydrophobicContact CG-CD1 4.22Å; L1148-L1170 HydrophobicContact CD1-CD1 4.1Å; L1148-L1170 HydrophobicContact CD1-CD2 3.92Å; L1148-L1170 HydrophobicContact CD1-CG 4.1Å; V1168-L1170 HydrophobicContact CG1-CD2 4.42Å; V1168-L1170 PolarHBondContact O-N 2.95Å; L1170-V1179 HydrophobicContact CB-CG1 3.81Å; L1170-V1179 HydrophobicContact CD1-CG1 4.1Å; L1170-V1179 HydrophobicContact CD2-CG1 3.88Å; L1170-V1179 HydrophobicContact CG-CG1 4.14Å
1171L86.2Confident83.3Confident56 Ų5662.5 Ų62.529%0.29333%0.333SS..EExtended strand (participates in β ladder)trans-104114.4174.7-61.5177.6000108.9E1040 T1180E1040-L1171 HydrophobicContact CG-CD1 4.32Å; L1171-T1180 PolarHBondContact N-O 3.13Å; L1171-T1180 PolarHBondContact O-N 3.17Å; L1171-T1180 PolarHBondContact O-OG1 2.95Å; L1171-T1180 VanDerWaalsContact O-OG1 3.04Å
1172R83Confident83.4Confident183 Ų18361.6 Ų61.669%0.69133%0.33SS*.EExtended strand (participates in β ladder)trans-87129.1171.9-60.9-171.4-172.5172.12.5109.9V1179R1172-V1179 HydrophobicContact CG-CG2 4.41Å
1173D75.7Confident83.7Confident58 Ų5861.2 Ų61.231%0.3133%0.327SS..  trans-81.6120.1166.9168.735000110.3I1175 S1176 D1177 S1178D1173-I1175 PolarHBondContact O-N 3.37Å; D1173-I1175 VanDerWaalsContact O-N 3.11Å; D1173-I1175 PolarHBondContact OD1-N 3.23Å; D1173-S1176 PolarHBondContact O-N 3.41Å; D1173-S1176 VanDerWaalsContact OD2-CB 3.3Å; D1173-S1176 WeakPolarHBondContact OD2-CB 3.41Å; D1173-S1176 PolarHBondContact OD2-N 3.5Å; D1173-S1176 PolarHBondContact OD2-OG 3.45Å; D1173-D1177 VanDerWaalsContact O-CA 3.27Å; D1173-D1177 WeakPolarHBondContact O-CA 3.31Å; D1173-D1177 PolarHBondContact O-N 2.88Å; D1173-S1178 PolarHBondContact N-O 3.16Å
1174N75Confident84.2Confident166 Ų16659.3 Ų59.389%0.88831%0.311SS*.THydrogen-bonded Turntrans-62.5-15.8178.7-66.4-26.4000114
1175I73Confident84.4Confident160 Ų16059.4 Ų59.482%0.82131%0.311SS*.THydrogen-bonded Turntrans-91.3-44.4-178-57.9176.3000111.5D1173D1173-I1175 PolarHBondContact O-N 3.37Å; D1173-I1175 VanDerWaalsContact O-N 3.11Å; D1173-I1175 PolarHBondContact OD1-N 3.23Å
1176S67.3Low84.6Confident69 Ų6957.3 Ų57.348%0.48330%0.296SS..THydrogen-bonded Turntrans-101.2-8.7-176.859.20000115.1D1173 S1178D1173-S1176 PolarHBondContact O-N 3.41Å; D1173-S1176 VanDerWaalsContact OD2-CB 3.3Å; D1173-S1176 WeakPolarHBondContact OD2-CB 3.41Å; D1173-S1176 PolarHBondContact OD2-N 3.5Å; D1173-S1176 PolarHBondContact OD2-OG 3.45Å; S1176-S1178 PolarHBondContact O-N 3.33Å; S1176-S1178 WeakPolarHBondContact OG-CB 3.37Å; S1176-S1178 PolarHBondContact OG-N 3.23Å; S1176-S1178 PolarHBondContact OG-OG 2.72Å
1177D70Confident84.9Confident123 Ų12357 Ų5766%0.65829%0.292SS*.  trans51.517.6-164.5-155.427.3000113.4D1173D1173-D1177 VanDerWaalsContact O-CA 3.27Å; D1173-D1177 WeakPolarHBondContact O-CA 3.31Å; D1173-D1177 PolarHBondContact O-N 2.88Å
1178S73.1Confident84.9Confident45 Ų4556.9 Ų56.932%0.31529%0.291SS..  trans-76.4138.2178.668.70000110.8D1173 S1176D1173-S1178 PolarHBondContact N-O 3.16Å; S1176-S1178 PolarHBondContact O-N 3.33Å; S1176-S1178 WeakPolarHBondContact OG-CB 3.37Å; S1176-S1178 PolarHBondContact OG-N 3.23Å; S1176-S1178 PolarHBondContact OG-OG 2.72Å
1179V82.1Confident84.8Confident23 Ų2358.7 Ų58.714%0.13930%0.298CS..EExtended strand (participates in β ladder)trans-93.7112.6177.1-170.90000108.9S1141 P1145 L1170 R1172S1141-V1179 WeakPolarHBondContact CB-O 3.38Å; S1141-V1179 PolarHBondContact OG-O 3.05Å; P1145-V1179 HydrophobicContact CG-CB 4.39Å; P1145-V1179 HydrophobicContact CG-CG1 4.23Å; P1145-V1179 HydrophobicContact CG-CG2 4.11Å; L1170-V1179 HydrophobicContact CB-CG1 3.81Å; L1170-V1179 HydrophobicContact CD1-CG1 4.1Å; L1170-V1179 HydrophobicContact CD2-CG1 3.88Å; L1170-V1179 HydrophobicContact CG-CG1 4.14Å; R1172-V1179 HydrophobicContact CG-CG2 4.41Å
1180T84.4Confident84.8Confident60 Ų6053.8 Ų53.837%0.36828%0.279SS..EExtended strand (participates in β ladder)trans-105.4152.1174.359.50000110.5L1171L1171-T1180 PolarHBondContact N-O 3.13Å; L1171-T1180 PolarHBondContact O-N 3.17Å; L1171-T1180 PolarHBondContact O-OG1 2.95Å; L1171-T1180 VanDerWaalsContact O-OG1 3.04Å
1181V89.4Confident84.8Confident15 Ų1551.5 Ų51.59%0.09127%0.269CS..EExtended strand (participates in β ladder)trans-84.9123.3176.8175.20000109.1F1044 W1087 F1140 L1144 V1168 N1184F1044-V1181 HydrophobicContact CB-CB 4.44Å; F1044-V1181 HydrophobicContact CB-CG2 4.46Å; F1044-V1181 HydrophobicContact CD2-CB 3.6Å; F1044-V1181 HydrophobicContact CD2-CG1 3.59Å; F1044-V1181 HydrophobicContact CD2-CG2 4.43Å; F1044-V1181 HydrophobicContact CE2-CB 4.17Å; F1044-V1181 HydrophobicContact CE2-CG1 3.66Å; F1044-V1181 HydrophobicContact CG-CB 4.18Å; F1044-V1181 HydrophobicContact CG-CG1 4.23Å; F1044-V1181 HydrophobicContact CZ-CG1 4.36Å; W1087-V1181 HydrophobicContact CH2-CG1 4.22Å; W1087-V1181 HydrophobicContact CH2-CG2 4.15Å; W1087-V1181 HydrophobicContact CZ2-CG1 4.17Å; F1140-V1181 HydrophobicContact CE1-CG2 3.91Å; F1140-V1181 HydrophobicContact CZ-CG2 4.33Å; L1144-V1181 HydrophobicContact CD2-CG2 3.4Å; V1168-V1181 HydrophobicContact CG1-CG1 4.11Å; V1181-N1184 WeakPolarHBondContact CG1-ND2 3.35Å
1182G89.6Confident84.9Confident2 Ų250.2 Ų50.22%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-87.9-141.1173.400000112R1169 N1184R1169-G1182 PolarHBondContact O-N 2.86Å; G1182-N1184 PolarHBondContact O-N 3.11Å; G1182-N1184 PolarHBondContact O-ND2 3.15Å; G1182-N1184 VanDerWaalsContact O-ND2 3.13Å
1183A92.7Very high85.3Confident0 Ų041.6 Ų41.60%023%0.231CC..EExtended strand (participates in β ladder)trans-59.5138171.800000110.9Y401 Q405 F406 I1038 E1040 R1169Y401-A1183 HydrophobicContact CE1-CB 4.09Å; Q405-A1183 HydrophobicContact CB-CB 3.95Å; Q405-A1183 HydrophobicContact CG-CB 3.79Å; F406-A1183 HydrophobicContact CE1-CB 4.37Å; F406-A1183 HydrophobicContact CZ-CB 3.86Å; I1038-A1183 WeakPolarHBondContact O-CA 3.35Å; E1040-A1183 HydrophobicContact CG-CB 4.28Å; R1169-A1183 VanDerWaalsContact CB-O 3.29Å; R1169-A1183 WeakPolarHBondContact CB-O 3.44Å; R1169-A1183 PolarHBondContact N-O 3.46Å
1184N94.5Very high85.7Confident0 Ų043.8 Ų43.80%024%0.238CC..EExtended strand (participates in β ladder)trans-146.4160.3173.758.695.8000110.9V1037 I1038 F1044 W1087 G1167 V1168 V1181 G1182 F1186V1037-N1184 WeakPolarHBondContact CA-O 3.36Å; I1038-N1184 PolarHBondContact N-O 3.27Å; I1038-N1184 PolarHBondContact O-N 3.37Å; F1044-N1184 VanDerWaalsContact CE2-ND2 3.35Å; F1044-N1184 WeakPolarHBondContact CE2-ND2 3.43Å; F1044-N1184 WeakPolarHBondContact CZ-ND2 3.23Å; W1087-N1184 PolarHBondContact NE1-OD1 3.49Å; W1087-N1184 VanDerWaalsContact NE1-OD1 3.17Å; G1167-N1184 CarbonylContact O-C 3.48Å; G1167-N1184 WeakPolarHBondContact O-CA 3.25Å; G1167-N1184 VanDerWaalsContact O-CB 3.29Å; G1167-N1184 WeakPolarHBondContact O-CB 3.45Å; V1168-N1184 HydrophobicContact CG1-CB 4.43Å; V1168-N1184 HydrophobicContact CG2-CB 4.37Å; V1181-N1184 WeakPolarHBondContact CG1-ND2 3.35Å; G1182-N1184 PolarHBondContact O-N 3.11Å; G1182-N1184 PolarHBondContact O-ND2 3.15Å; G1182-N1184 VanDerWaalsContact O-ND2 3.13Å; N1184-F1186 VanDerWaalsContact OD1-CE2 3.3Å; N1184-F1186 WeakPolarHBondContact OD1-CE2 3.02Å
1185Y94.7Very high86.1Confident24 Ų2442.4 Ų42.49%0.09422%0.224CC..EExtended strand (participates in β ladder)trans-125.7158.9178.167-120000113.5F402 F406 Y1035 F1036 T1166 G1167 M1187F402-Y1185 AromaticContact CE2-CD1 3.97Å; F402-Y1185 HydrophobicContact CE2-CD1 3.97Å; F402-Y1185 HydrophobicContact CE2-CE1 4.41Å; F402-Y1185 HydrophobicContact CZ-CD1 4.36Å; F402-Y1185 HydrophobicContact CZ-CE1 4.35Å; F406-Y1185 HydrophobicContact CB-CE1 4.31Å; F406-Y1185 AromaticContact CD1-CD1 3.84Å; F406-Y1185 HydrophobicContact CD1-CD1 3.84Å; F406-Y1185 HydrophobicContact CD1-CE1 4.07Å; F406-Y1185 AromaticContact CD2-CD1 3.96Å; F406-Y1185 HydrophobicContact CD2-CD1 3.96Å; F406-Y1185 AromaticContact CE1-CD1 3.96Å; F406-Y1185 HydrophobicContact CE1-CD1 3.96Å; F406-Y1185 HydrophobicContact CE2-CD1 4.06Å; F406-Y1185 AromaticContact CG-CD1 3.84Å; F406-Y1185 HydrophobicContact CG-CD1 3.84Å; F406-Y1185 HydrophobicContact CG-CE1 4.04Å; F406-Y1185 HydrophobicContact CZ-CD1 4.06Å; Y1035-Y1185 HydrophobicContact CD1-CD1 4.17Å; Y1035-Y1185 AromaticContact CD1-CD2 3.62Å; Y1035-Y1185 HydrophobicContact CD1-CD2 3.62Å; Y1035-Y1185 HydrophobicContact CD1-CE1 4.32Å; Y1035-Y1185 AromaticContact CD1-CE2 3.83Å; Y1035-Y1185 HydrophobicContact CD1-CE2 3.83Å; Y1035-Y1185 AromaticContact CD1-CG 3.84Å; Y1035-Y1185 HydrophobicContact CD1-CG 3.84Å; Y1035-Y1185 HydrophobicContact CE1-CD2 4.2Å; Y1035-Y1185 AromaticContact CE1-CE2 3.92Å; Y1035-Y1185 HydrophobicContact CE1-CE2 3.92Å; F1036-Y1185 WeakPolarHBondContact O-CA 3.47Å; T1166-Y1185 PolarHBondContact OG1-OH 3Å; G1167-Y1185 VanDerWaalsContact CA-CE1 3.42Å; G1167-Y1185 VanDerWaalsContact CA-CZ 3.41Å; G1167-Y1185 PolarHBondContact O-N 2.84Å; Y1185-M1187 HydrophobicContact CD2-CB 4.42Å; Y1185-M1187 HydrophobicContact CE2-CB 4.39Å
1186F93.5Very high86.6Confident0 Ų036.3 Ų36.30%020%0.195CC..EExtended strand (participates in β ladder)trans-122.8120.3169.8-66-91.1000108.7F1036 I1038 V1053 L1064 I1065 A1084 S1085 W1087 I1088 N1184F1036-F1186 HydrophobicContact CB-CB 4.5Å; F1036-F1186 PolarHBondContact N-O 2.89Å; F1036-F1186 PolarHBondContact O-N 2.82Å; I1038-F1186 HydrophobicContact CD1-CD2 4.29Å; I1038-F1186 HydrophobicContact CD1-CE2 3.64Å; I1038-F1186 HydrophobicContact CG1-CD2 4.45Å; I1038-F1186 HydrophobicContact CG1-CE2 4.21Å; V1053-F1186 HydrophobicContact CG1-CE1 4.19Å; V1053-F1186 HydrophobicContact CG1-CE2 3.75Å; V1053-F1186 HydrophobicContact CG1-CZ 3.38Å; L1064-F1186 HydrophobicContact CD2-CB 4.49Å; L1064-F1186 HydrophobicContact CD2-CD2 3.35Å; L1064-F1186 HydrophobicContact CD2-CE2 3.7Å; L1064-F1186 HydrophobicContact CD2-CG 3.99Å; L1064-F1186 HydrophobicContact CG-CD2 4.47Å; I1065-F1186 HydrophobicContact CD1-CB 4.4Å; I1065-F1186 HydrophobicContact CD1-CD1 3.6Å; I1065-F1186 HydrophobicContact CD1-CE1 4.17Å; I1065-F1186 HydrophobicContact CD1-CG 4.2Å; I1065-F1186 HydrophobicContact CG1-CD1 4.35Å; I1065-F1186 HydrophobicContact CG1-CE1 4.46Å; A1084-F1186 HydrophobicContact CB-CB 4.18Å; S1085-F1186 WeakPolarHBondContact O-CD1 3.41Å; W1087-F1186 AromaticContact CD1-CE1 3.57Å; W1087-F1186 AromaticContact CD1-CZ 3.53Å; W1087-F1186 AromaticContact CE2-CZ 3.98Å; W1087-F1186 HydrophobicContact CG-CE1 4.39Å; W1087-F1186 HydrophobicContact CG-CZ 4.47Å; W1087-F1186 AromaticContact NE1-CE1 3.73Å; W1087-F1186 AromaticContact NE1-CE2 3.62Å; W1087-F1186 AromaticContact NE1-CZ 3.15Å; I1088-F1186 HydrophobicContact CG2-CE1 4.19Å; I1088-F1186 HydrophobicContact CG2-CZ 4.28Å; N1184-F1186 VanDerWaalsContact OD1-CE2 3.3Å; N1184-F1186 WeakPolarHBondContact OD1-CE2 3.02Å
1187M91.6Very high87.5Confident42 Ų4236.4 Ų36.421%0.20719%0.19CC..EExtended strand (participates in β ladder)trans-97.9128-170.2-177.4-178.5174.400111.2P1033 Y1035 A1084 S1085 Y1185 Y1189P1033-M1187 HydrophobicContact CB-CE 3.6Å; P1033-M1187 HydrophobicContact CG-CE 4.36Å; Y1035-M1187 HydrophobicContact CD1-CB 3.99Å; Y1035-M1187 HydrophobicContact CD1-CG 4.04Å; Y1035-M1187 HydrophobicContact CE1-CB 3.9Å; Y1035-M1187 HydrophobicContact CE1-CE 4.42Å; Y1035-M1187 HydrophobicContact CE1-CG 3.58Å; Y1035-M1187 HydrophobicContact CE1-SD 3.65Å; A1084-M1187 CarbonylContact C-O 3.52Å; A1084-M1187 VanDerWaalsContact CA-O 3.23Å; A1084-M1187 WeakPolarHBondContact CA-O 3.49Å; S1085-M1187 PolarHBondContact N-O 3.44Å; S1085-M1187 PolarHBondContact OG-O 3.23Å; Y1185-M1187 HydrophobicContact CD2-CB 4.42Å; Y1185-M1187 HydrophobicContact CE2-CB 4.39Å; M1187-Y1189 HydrophobicContact CE-CE1 4.23Å; M1187-Y1189 HydrophobicContact CE-CE2 4.16Å; M1187-Y1189 WeakPolarHBondContact CE-OH 3.17Å
1188A90.8Very high88.4Confident0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-132.7176.1170.200000110.2P1033 V1034 I1068 I1080 S1082 A1084P1033-A1188 CarbonylContact C-O 3.6Å; P1033-A1188 WeakPolarHBondContact CA-O 3.29Å; V1034-A1188 HydrophobicContact CG1-CB 4.13Å; V1034-A1188 PolarHBondContact N-O 3.36Å; V1034-A1188 PolarHBondContact O-N 3.36Å; I1068-A1188 HydrophobicContact CG2-CB 4.36Å; I1080-A1188 HydrophobicContact CG2-CB 4.45Å; S1082-A1188 WeakPolarHBondContact OG-CA 3.1Å; A1084-A1188 HydrophobicContact CB-CB 4.16Å
1189Y91.2Very high89.3Confident45 Ų4530.8 Ų30.818%0.17616%0.155CC..EExtended strand (participates in β ladder)trans-114.6138.7176.8-71-89.8000112.6L554 V557 V1030 P1033 V1081 S1082 M1187L554-Y1189 HydrophobicContact CD1-CE2 4.11Å; V557-Y1189 HydrophobicContact CG1-CE1 4.13Å; V1030-Y1189 HydrophobicContact CB-CD1 4.36Å; V1030-Y1189 HydrophobicContact CB-CG 4.49Å; V1030-Y1189 HydrophobicContact CG2-CD1 4.19Å; P1033-Y1189 HydrophobicContact CB-CD1 4.24Å; P1033-Y1189 HydrophobicContact CB-CE1 4.11Å; V1081-Y1189 PolarHBondContact N-O 3.01Å; S1082-Y1189 PolarHBondContact OG-N 2.92Å; M1187-Y1189 HydrophobicContact CE-CE1 4.23Å; M1187-Y1189 HydrophobicContact CE-CE2 4.16Å; M1187-Y1189 WeakPolarHBondContact CE-OH 3.17Å
1190H93.3Very high89.7Confident0 Ų030 Ų300%015%0.151CC..BIsolated β-bridgetrans-69.1163165.4-80.1-60.1000111.6G1031 P1032 W1079 F1240 Y1241G1031-H1190 PolarHBondContact N-O 3.25Å; P1032-H1190 WeakPolarHBondContact O-CB 3.5Å; P1032-H1190 PolarHBondContact O-N 3.41Å; W1079-H1190 CarbonylContact O-C 3.57Å; W1079-H1190 WeakPolarHBondContact O-CA 3.23Å; W1079-H1190 WeakPolarHBondContact O-CB 3.42Å; W1079-H1190 PolarHBondContact O-ND1 3.29Å; H1190-F1240 AromaticContact CD2-CE1 3.84Å; H1190-F1240 AromaticContact CD2-CZ 3.89Å; H1190-F1240 AromaticContact NE2-CZ 3.97Å; H1190-Y1241 AromaticContact NE2-CE1 3.79Å; H1190-Y1241 AromaticContact NE2-CZ 3.75Å; H1190-Y1241 PolarHBondContact NE2-OH 2.75Å
1191G89.5Confident90Very high10 Ų1028.5 Ų28.510%0.10314%0.14CC..PPolyproline II helixtrans-72.3168.3163.100000112.3G1031 W1079 V1081 L1193G1031-G1191 WeakPolarHBondContact CA-O 3.35Å; G1031-G1191 PolarHBondContact N-O 2.99Å; W1079-G1191 PolarHBondContact O-N 3.23Å; V1081-G1191 VanDerWaalsContact CG2-CA 3.44Å; G1191-L1193 WeakPolarHBondContact O-CD2 3.48Å; G1191-L1193 WeakPolarHBondContact O-CG 3.3Å; G1191-L1193 PolarHBondContact O-N 3.38Å
1192V89.2Confident90.1Very high29 Ų2927.8 Ų27.818%0.17614%0.136CC..PPolyproline II helixtrans-64.4116.2178-171.30000110L1024 R1029 K1194L1024-V1192 HydrophobicContact CD2-CG1 4.29Å; R1029-V1192 VanDerWaalsContact C-CG2 3.43Å; V1192-K1194 HydrophobicContact CG1-CD 4.5Å; V1192-K1194 HydrophobicContact CG1-CG 3.89Å; V1192-K1194 PolarHBondContact O-N 3.41Å
1193L90Very high90.3Very high2 Ų227.7 Ų27.71%0.0114%0.135CC..  trans-92.996.6-175.9-51.1178.3000109.3W1079 G1191 D1198 Y1199 A1202 F1240W1079-L1193 HydrophobicContact CB-CD2 4.46Å; W1079-L1193 HydrophobicContact CG-CD2 4.42Å; G1191-L1193 WeakPolarHBondContact O-CD2 3.48Å; G1191-L1193 WeakPolarHBondContact O-CG 3.3Å; G1191-L1193 PolarHBondContact O-N 3.38Å; L1193-D1198 HydrophobicContact CB-CB 4.05Å; L1193-D1198 HydrophobicContact CD2-CB 4.03Å; L1193-Y1199 HydrophobicContact CB-CD1 4.1Å; L1193-Y1199 HydrophobicContact CB-CD2 3.94Å; L1193-Y1199 HydrophobicContact CB-CE1 3.84Å; L1193-Y1199 HydrophobicContact CB-CE2 3.63Å; L1193-Y1199 HydrophobicContact CB-CG 4.14Å; L1193-Y1199 HydrophobicContact CD1-CD1 3.58Å; L1193-Y1199 HydrophobicContact CD1-CE1 3.79Å; L1193-Y1199 HydrophobicContact CD1-CG 4.08Å; L1193-Y1199 HydrophobicContact CG-CD1 4.49Å; L1193-Y1199 HydrophobicContact CG-CE1 4.44Å; L1193-Y1199 VanDerWaalsContact O-CE2 3.22Å; L1193-Y1199 WeakPolarHBondContact O-CE2 3.38Å; L1193-Y1199 PolarHBondContact O-OH 2.76Å; L1193-A1202 HydrophobicContact CD1-CB 4.36Å; L1193-A1202 HydrophobicContact CD2-CB 3.9Å; L1193-F1240 HydrophobicContact CD1-CE1 3.72Å; L1193-F1240 HydrophobicContact CD1-CE2 4.1Å; L1193-F1240 HydrophobicContact CD1-CZ 3.44Å; L1193-F1240 VanDerWaalsContact CD1-CZ 3.44Å
1194K85.1Confident90.3Very high105 Ų10532.7 Ų32.746%0.45716%0.157SC..  trans-96.4-41.4-169.2-54.8-169.8-171-163.30112.8D1025 V1192 D1198D1025-K1194 WeakPolarHBondContact O-CD 3.46Å; D1025-K1194 WeakPolarHBondContact O-CE 3.17Å; D1025-K1194 PolarHBondContact O-NZ 3.42Å; D1025-K1194 WeakPolarHBondContact OD1-CA 3.35Å; D1025-K1194 WeakPolarHBondContact OD1-CB 3.42Å; V1192-K1194 HydrophobicContact CG1-CD 4.5Å; V1192-K1194 HydrophobicContact CG1-CG 3.89Å; V1192-K1194 PolarHBondContact O-N 3.41Å; K1194-D1198 PolarHBondContact N-OD2 3.49Å; K1194-D1198 VanDerWaalsContact N-OD2 3.14Å
1195K84.1Confident90.1Very high136 Ų13632.8 Ų32.859%0.59116%0.157SC*.SBendtrans-90.3150.1176.3-62.8-178.3-179.9-179.80110D1197 D1198 Y1199K1195-D1197 PolarHBondContact O-N 3.09Å; K1195-D1197 VanDerWaalsContact O-N 3.14Å; K1195-D1198 WeakPolarHBondContact CB-OD2 3.41Å; K1195-D1198 PolarHBondContact N-OD2 3.13Å; K1195-D1198 WeakPolarHBondContact O-CB 3.49Å; K1195-D1198 PolarHBondContact O-N 2.86Å; K1195-Y1199 WeakPolarHBondContact O-CD2 3.3Å
1196P83.5Confident90Very high32 Ų3231.6 Ų31.621%0.20815%0.153CC..Hα-helixtrans-54.4-32.9170.9-25.134.7000112.9I1004 D1006 D1198I1004-P1196 HydrophobicContact CB-CB 3.79Å; I1004-P1196 HydrophobicContact CD1-CB 4.26Å; I1004-P1196 WeakPolarHBondContact CD1-O 3.21Å; I1004-P1196 HydrophobicContact CG2-CB 3.47Å; I1004-P1196 VanDerWaalsContact CG2-CB 3.47Å; D1006-P1196 HydrophobicContact CB-CG 3.93Å; P1196-D1198 VanDerWaalsContact C-N 3.33Å; P1196-D1198 PolarHBondContact O-N 3.19Å
1197D86Confident90Very high72 Ų7232.7 Ų32.739%0.38516%0.157SC..Hα-helixtrans-63.8-31.4174.8-58.5-61.8000113.7I1004 K1195 Y1199 V1200 N1201I1004-D1197 HydrophobicContact CD1-CB 4.42Å; I1004-D1197 WeakPolarHBondContact CD1-OD1 3.31Å; K1195-D1197 PolarHBondContact O-N 3.09Å; K1195-D1197 VanDerWaalsContact O-N 3.14Å; D1197-Y1199 VanDerWaalsContact C-N 3.32Å; D1197-Y1199 PolarHBondContact O-N 2.99Å; D1197-V1200 PolarHBondContact O-N 3.08Å; D1197-N1201 WeakPolarHBondContact O-CB 3.23Å; D1197-N1201 VanDerWaalsContact O-CG 3.26Å; D1197-N1201 PolarHBondContact O-N 3.11Å; D1197-N1201 PolarHBondContact O-ND2 2.96Å; D1197-N1201 VanDerWaalsContact O-ND2 3.12Å
1198D88.9Confident90.1Very high29 Ų2933.4 Ų33.416%0.15516%0.158CC..Hα-helixtrans-63.9-39.3-178.3-68.2-43.2000111W1079 L1193 K1194 K1195 P1196 N1201 A1202W1079-D1198 PolarHBondContact NE1-OD1 3.06Å; W1079-D1198 VanDerWaalsContact NE1-OD1 3.14Å; L1193-D1198 HydrophobicContact CB-CB 4.05Å; L1193-D1198 HydrophobicContact CD2-CB 4.03Å; K1194-D1198 PolarHBondContact N-OD2 3.49Å; K1194-D1198 VanDerWaalsContact N-OD2 3.14Å; K1195-D1198 WeakPolarHBondContact CB-OD2 3.41Å; K1195-D1198 PolarHBondContact N-OD2 3.13Å; K1195-D1198 WeakPolarHBondContact O-CB 3.49Å; K1195-D1198 PolarHBondContact O-N 2.86Å; P1196-D1198 VanDerWaalsContact C-N 3.33Å; P1196-D1198 PolarHBondContact O-N 3.19Å; D1198-N1201 PolarHBondContact O-N 3.26Å; D1198-A1202 WeakPolarHBondContact O-CB 3.39Å; D1198-A1202 PolarHBondContact O-N 2.8Å
1199Y91.1Very high90Very high20 Ų2034 Ų348%0.07816%0.16CC..Hα-helixtrans-62.2-44.8176.2-65.5-95.3000111.9L1193 K1195 D1197 L1203 F1240 Y1244L1193-Y1199 HydrophobicContact CB-CD1 4.1Å; L1193-Y1199 HydrophobicContact CB-CD2 3.94Å; L1193-Y1199 HydrophobicContact CB-CE1 3.84Å; L1193-Y1199 HydrophobicContact CB-CE2 3.63Å; L1193-Y1199 HydrophobicContact CB-CG 4.14Å; L1193-Y1199 HydrophobicContact CD1-CD1 3.58Å; L1193-Y1199 HydrophobicContact CD1-CE1 3.79Å; L1193-Y1199 HydrophobicContact CD1-CG 4.08Å; L1193-Y1199 HydrophobicContact CG-CD1 4.49Å; L1193-Y1199 HydrophobicContact CG-CE1 4.44Å; L1193-Y1199 VanDerWaalsContact O-CE2 3.22Å; L1193-Y1199 WeakPolarHBondContact O-CE2 3.38Å; L1193-Y1199 PolarHBondContact O-OH 2.76Å; K1195-Y1199 WeakPolarHBondContact O-CD2 3.3Å; D1197-Y1199 VanDerWaalsContact C-N 3.32Å; D1197-Y1199 PolarHBondContact O-N 2.99Å; Y1199-L1203 WeakPolarHBondContact O-CB 3.25Å; Y1199-L1203 PolarHBondContact O-N 2.99Å; Y1199-L1203 VanDerWaalsContact O-N 3.09Å; Y1199-F1240 HydrophobicContact CD1-CB 4.39Å; Y1199-F1240 HydrophobicContact CD1-CD1 4.41Å; Y1199-F1240 AromaticContact CD1-CD2 3.68Å; Y1199-F1240 HydrophobicContact CD1-CD2 3.68Å; Y1199-F1240 AromaticContact CD1-CE2 3.93Å; Y1199-F1240 HydrophobicContact CD1-CE2 3.93Å; Y1199-F1240 AromaticContact CD1-CG 3.92Å; Y1199-F1240 HydrophobicContact CD1-CG 3.92Å; Y1199-F1240 HydrophobicContact CD1-CZ 4.39Å; Y1199-F1240 HydrophobicContact CG-CD2 4.41Å; Y1199-F1240 HydrophobicContact CG-CE2 4.47Å; Y1199-F1240 WeakPolarHBondContact O-CE2 3.41Å; Y1199-Y1244 HydrophobicContact CD1-CD2 4.21Å; Y1199-Y1244 AromaticContact CD1-CE2 3.74Å; Y1199-Y1244 HydrophobicContact CD1-CE2 3.74Å; Y1199-Y1244 AromaticContact CD1-CZ 3.99Å; Y1199-Y1244 HydrophobicContact CD2-CE1 4.25Å; Y1199-Y1244 HydrophobicContact CE1-CE2 4.4Å; Y1199-Y1244 HydrophobicContact CG-CD1 4.37Å; Y1199-Y1244 HydrophobicContact CG-CD2 4.27Å; Y1199-Y1244 AromaticContact CG-CE1 3.96Å; Y1199-Y1244 HydrophobicContact CG-CE1 3.96Å; Y1199-Y1244 AromaticContact CG-CE2 3.84Å; Y1199-Y1244 HydrophobicContact CG-CE2 3.84Å; Y1199-Y1244 AromaticContact CG-CZ 3.67Å
1200V90.6Very high90.1Very high7 Ų731.8 Ų31.84%0.04215%0.152CC..Hα-helixtrans-68.9-36.31791760000111.2I1004 D1197 K1204 Y1244 Y1247 L1248I1004-V1200 HydrophobicContact CD1-CB 4.24Å; I1004-V1200 HydrophobicContact CD1-CG2 3.65Å; I1004-V1200 HydrophobicContact CG1-CG2 4.36Å; D1197-V1200 PolarHBondContact O-N 3.08Å; V1200-K1204 HydrophobicContact CG1-CD 4.44Å; V1200-K1204 VanDerWaalsContact O-CG 3.29Å; V1200-K1204 WeakPolarHBondContact O-CG 3.49Å; V1200-K1204 PolarHBondContact O-N 2.85Å; V1200-K1204 VanDerWaalsContact O-N 3.09Å; V1200-Y1244 HydrophobicContact CG2-CD1 3.92Å; V1200-Y1247 HydrophobicContact CG2-CD2 4.07Å; V1200-Y1247 HydrophobicContact CG2-CG 4.37Å; V1200-L1248 HydrophobicContact CG1-CD2 3.85Å
1201N90Very high90Very high29 Ų2934.9 Ų34.916%0.15517%0.168CC..Hα-helixtrans-77.2-36179.2-66.1-30.9000112.8W1079 D1197 D1198 K1204 A1205W1079-N1201 HydrophobicContact CD2-CB 4.33Å; W1079-N1201 HydrophobicContact CE3-CB 4.21Å; W1079-N1201 HydrophobicContact CH2-CB 3.6Å; W1079-N1201 HydrophobicContact CZ2-CB 3.68Å; W1079-N1201 HydrophobicContact CZ3-CB 3.86Å; D1197-N1201 WeakPolarHBondContact O-CB 3.23Å; D1197-N1201 VanDerWaalsContact O-CG 3.26Å; D1197-N1201 PolarHBondContact O-N 3.11Å; D1197-N1201 PolarHBondContact O-ND2 2.96Å; D1197-N1201 VanDerWaalsContact O-ND2 3.12Å; D1198-N1201 PolarHBondContact O-N 3.26Å; N1201-K1204 PolarHBondContact O-N 3.25Å; N1201-K1204 PolarHBondContact OD1-NZ 2.85Å; N1201-A1205 WeakPolarHBondContact O-CB 3.31Å; N1201-A1205 PolarHBondContact O-N 2.88Å
1202A92.5Very high89.9Confident0 Ų037.1 Ų37.10%018%0.175CC..Hα-helixtrans-61.2-43.3170.600000112.1W1079 L1193 D1198 A1205 A1206 F1240W1079-A1202 HydrophobicContact CB-CB 3.65Å; W1079-A1202 HydrophobicContact CG-CB 4.01Å; L1193-A1202 HydrophobicContact CD1-CB 4.36Å; L1193-A1202 HydrophobicContact CD2-CB 3.9Å; D1198-A1202 WeakPolarHBondContact O-CB 3.39Å; D1198-A1202 PolarHBondContact O-N 2.8Å; A1202-A1205 PolarHBondContact O-N 3.32Å; A1202-A1206 WeakPolarHBondContact O-CB 3.34Å; A1202-A1206 PolarHBondContact O-N 3.13Å; A1202-F1240 HydrophobicContact CB-CZ 4.35Å
1203L93.1Very high89.8Confident0 Ų035.8 Ų35.80%017%0.167CC..Hα-helixtrans-59.9-45.1172.6172.660000112Y1199 R1207 Y1241 E1245 L1248Y1199-L1203 WeakPolarHBondContact O-CB 3.25Å; Y1199-L1203 PolarHBondContact O-N 2.99Å; Y1199-L1203 VanDerWaalsContact O-N 3.09Å; L1203-R1207 HydrophobicContact CD1-CG 4.22Å; L1203-R1207 WeakPolarHBondContact O-CB 3.49Å; L1203-R1207 WeakPolarHBondContact O-CG 3.32Å; L1203-R1207 PolarHBondContact O-N 3.35Å; L1203-R1207 VanDerWaalsContact O-N 3.1Å; L1203-Y1241 HydrophobicContact CB-CD1 4.38Å; L1203-Y1241 HydrophobicContact CB-CE1 4.33Å; L1203-Y1241 HydrophobicContact CD1-CD1 3.82Å; L1203-Y1241 HydrophobicContact CD1-CD2 3.68Å; L1203-Y1241 HydrophobicContact CD1-CE1 4.12Å; L1203-Y1241 HydrophobicContact CD1-CE2 3.98Å; L1203-Y1241 HydrophobicContact CD1-CG 3.6Å; L1203-E1245 HydrophobicContact CD2-CB 4.35Å; L1203-L1248 HydrophobicContact CD2-CD1 3.9Å; L1203-L1248 HydrophobicContact CD2-CG 4.37Å; L1203-L1248 HydrophobicContact CG-CD1 4.34Å
1204K92.2Very high89.8Confident104 Ų10436.3 Ų36.345%0.45217%0.17SC..Hα-helixtrans-61.8-46.9175.5-72.8167.2-172.11630111.8V1200 N1201 R1207 Y1208 L1248V1200-K1204 HydrophobicContact CG1-CD 4.44Å; V1200-K1204 VanDerWaalsContact O-CG 3.29Å; V1200-K1204 WeakPolarHBondContact O-CG 3.49Å; V1200-K1204 PolarHBondContact O-N 2.85Å; V1200-K1204 VanDerWaalsContact O-N 3.09Å; N1201-K1204 PolarHBondContact O-N 3.25Å; N1201-K1204 PolarHBondContact OD1-NZ 2.85Å; K1204-R1207 PolarHBondContact O-N 2.84Å; K1204-Y1208 WeakPolarHBondContact O-CB 3.45Å; K1204-Y1208 PolarHBondContact O-N 3.04Å; K1204-L1248 HydrophobicContact CD-CD2 4.3Å; K1204-L1248 HydrophobicContact CG-CD2 3.79Å
1205A91.7Very high89.8Confident2 Ų236.6 Ų36.62%0.01717%0.173CC..Hα-helixtrans-64.9-48.1-177.800000111.9P249 S1078 W1079 N1201 A1202 R1207 Y1208 Y1209P249-A1205 HydrophobicContact CG-CB 4.28Å; S1078-A1205 VanDerWaalsContact O-CB 3.3Å; S1078-A1205 WeakPolarHBondContact O-CB 3.15Å; W1079-A1205 HydrophobicContact CE3-CB 4.24Å; N1201-A1205 WeakPolarHBondContact O-CB 3.31Å; N1201-A1205 PolarHBondContact O-N 2.88Å; A1202-A1205 PolarHBondContact O-N 3.32Å; A1205-R1207 PolarHBondContact O-N 3.24Å; A1205-Y1208 WeakPolarHBondContact O-CB 3.47Å; A1205-Y1208 PolarHBondContact O-N 3.4Å; A1205-Y1209 WeakPolarHBondContact O-CD2 3.44Å; A1205-Y1209 PolarHBondContact O-N 2.85Å
1206A93.1Very high89.7Confident0 Ų031 Ų310%015%0.151CC..Hα-helixtrans-61.1-43.317700000112A1202 Y1209 A1210 P1236 Y1241A1202-A1206 WeakPolarHBondContact O-CB 3.34Å; A1202-A1206 PolarHBondContact O-N 3.13Å; A1206-Y1209 PolarHBondContact O-N 3.21Å; A1206-A1210 WeakPolarHBondContact O-CB 3.48Å; A1206-A1210 PolarHBondContact O-N 3.28Å; A1206-P1236 HydrophobicContact CB-CB 3.83Å; A1206-P1236 HydrophobicContact CB-CG 3.94Å; A1206-Y1241 WeakPolarHBondContact CB-OH 3.43Å
1207R93Very high89.7Confident22 Ų2229.7 Ų29.78%0.08314%0.142CC..Hα-helixtrans-66.3-35.3175.5-77.6-179.1163.2178.2-2.5112.6S395 E398 L1203 K1204 A1205 N1211 P1236 E1245S395-R1207 PolarHBondContact OG-NH2 3.12Å; E398-R1207 IonicContact OE2-CZ 2.74Å; E398-R1207 IonicContact OE2-NE 3.83Å; E398-R1207 IonicContact OE2-NH2 2.68Å; E398-R1207 PolarHBondContact OE2-NH2 2.98Å; L1203-R1207 HydrophobicContact CD1-CG 4.22Å; L1203-R1207 WeakPolarHBondContact O-CB 3.49Å; L1203-R1207 WeakPolarHBondContact O-CG 3.32Å; L1203-R1207 PolarHBondContact O-N 3.35Å; L1203-R1207 VanDerWaalsContact O-N 3.1Å; K1204-R1207 PolarHBondContact O-N 2.84Å; A1205-R1207 PolarHBondContact O-N 3.24Å; R1207-N1211 VanDerWaalsContact O-CB 3.27Å; R1207-N1211 WeakPolarHBondContact O-CB 3.16Å; R1207-N1211 PolarHBondContact O-N 2.81Å; R1207-N1211 PolarHBondContact O-ND2 2.91Å; R1207-N1211 VanDerWaalsContact O-ND2 3.16Å; R1207-P1236 HydrophobicContact CB-CG 4.5Å; R1207-P1236 HydrophobicContact CG-CG 3.76Å; R1207-E1245 IonicContact CZ-OE1 3.57Å; R1207-E1245 IonicContact NH1-OE1 2.75Å; R1207-E1245 PolarHBondContact NH1-OE1 3.46Å; R1207-E1245 IonicContact NH2-OE1 2.66Å; R1207-E1245 PolarHBondContact NH2-OE1 3.27Å
1208Y92.3Very high89.2Confident58 Ų5829.5 Ų29.523%0.22714%0.136CC..Hα-helixtrans-59.5-51.5172.9173.8-90.6000111.1D247 P249 K1204 A1205 N1211 K1212D247-Y1208 HydrophobicContact CB-CE1 4.33Å; D247-Y1208 PolarHBondContact OD1-OH 3.12Å; P249-Y1208 HydrophobicContact CB-CD1 4.19Å; P249-Y1208 HydrophobicContact CB-CG 4.33Å; K1204-Y1208 WeakPolarHBondContact O-CB 3.45Å; K1204-Y1208 PolarHBondContact O-N 3.04Å; A1205-Y1208 WeakPolarHBondContact O-CB 3.47Å; A1205-Y1208 PolarHBondContact O-N 3.4Å; Y1208-N1211 PolarHBondContact O-N 3.39Å; Y1208-K1212 HydrophobicContact CD1-CG 4.46Å; Y1208-K1212 HydrophobicContact CE1-CG 4.13Å; Y1208-K1212 HydrophobicContact CE2-CG 4.46Å; Y1208-K1212 WeakPolarHBondContact O-CB 3.45Å; Y1208-K1212 WeakPolarHBondContact O-CG 3.42Å; Y1208-K1212 PolarHBondContact O-N 2.88Å; Y1208-K1212 VanDerWaalsContact OH-CE 3.32Å; Y1208-K1212 WeakPolarHBondContact OH-CE 3.16Å
1209Y90.5Very high88.3Confident11 Ų1132.8 Ų32.84%0.04316%0.158CC..Hα-helixtrans-61.4-48.4177.5-72.1-62.8000112.3D247 P249 A1071 I1080 A1205 A1206 N1211 K1212 I1213D247-Y1209 VanDerWaalsContact O-CE1 3.22Å; D247-Y1209 WeakPolarHBondContact O-CE1 3.32Å; D247-Y1209 PolarHBondContact O-OH 3.17Å; P249-Y1209 WeakPolarHBondContact CD-OH 3.21Å; A1071-Y1209 HydrophobicContact CB-CD1 4.38Å; A1071-Y1209 HydrophobicContact CB-CD2 4.07Å; A1071-Y1209 HydrophobicContact CB-CE1 3.96Å; A1071-Y1209 HydrophobicContact CB-CE2 3.62Å; A1071-Y1209 HydrophobicContact CB-CG 4.45Å; I1080-Y1209 HydrophobicContact CD1-CD2 4.4Å; A1205-Y1209 WeakPolarHBondContact O-CD2 3.44Å; A1205-Y1209 PolarHBondContact O-N 2.85Å; A1206-Y1209 PolarHBondContact O-N 3.21Å; Y1209-N1211 PolarHBondContact O-N 2.58Å; Y1209-K1212 CarbonylContact O-C 3.55Å; Y1209-K1212 WeakPolarHBondContact O-CB 3.43Å; Y1209-K1212 PolarHBondContact O-N 2.91Å; Y1209-K1212 VanDerWaalsContact O-N 3.1Å; Y1209-I1213 WeakPolarHBondContact O-CD1 3.47Å; Y1209-I1213 VanDerWaalsContact O-CG1 3.3Å; Y1209-I1213 WeakPolarHBondContact O-CG1 3.22Å; Y1209-I1213 PolarHBondContact O-N 3.33Å
1210A91.9Very high86.8Confident0 Ų034.7 Ų34.70%017%0.171CC..Hα-helixtrans-61-40.6179.600000113.1F1036 A1206 I1213 T1214 V1234 P1236F1036-A1210 HydrophobicContact CD1-CB 4.43Å; F1036-A1210 HydrophobicContact CE1-CB 4.48Å; A1206-A1210 WeakPolarHBondContact O-CB 3.48Å; A1206-A1210 PolarHBondContact O-N 3.28Å; A1210-I1213 PolarHBondContact O-N 3.35Å; A1210-T1214 WeakPolarHBondContact O-CB 3.05Å; A1210-T1214 PolarHBondContact O-N 3.25Å; A1210-T1214 PolarHBondContact O-OG1 3.15Å; A1210-V1234 HydrophobicContact CB-CB 4.45Å; A1210-V1234 HydrophobicContact CB-CG1 4.1Å; A1210-P1236 HydrophobicContact CB-CG 4.17Å
1211N90.9Very high85.2Confident64 Ų6436.1 Ų36.134%0.34218%0.18SC..Hα-helixtrans-63.9-43.9172.5-68-20.5000111.1R1207 Y1208 Y1209 I1213 T1214 Q1215R1207-N1211 VanDerWaalsContact O-CB 3.27Å; R1207-N1211 WeakPolarHBondContact O-CB 3.16Å; R1207-N1211 PolarHBondContact O-N 2.81Å; R1207-N1211 PolarHBondContact O-ND2 2.91Å; R1207-N1211 VanDerWaalsContact O-ND2 3.16Å; Y1208-N1211 PolarHBondContact O-N 3.39Å; Y1209-N1211 PolarHBondContact O-N 2.58Å; N1211-I1213 VanDerWaalsContact C-N 3.32Å; N1211-I1213 PolarHBondContact O-N 2.83Å; N1211-T1214 PolarHBondContact O-N 2.83Å; N1211-Q1215 WeakPolarHBondContact O-CB 3.36Å; N1211-Q1215 VanDerWaalsContact O-CG 3.28Å; N1211-Q1215 WeakPolarHBondContact O-CG 3.25Å; N1211-Q1215 PolarHBondContact O-N 3.07Å
1212K88Confident83.4Confident58 Ų5839.9 Ų39.925%0.25220%0.2SC..Hα-helixtrans-66.4-25.7176.9-83-82.1-160154.30114D247 K1067 Y1208 Y1209 S1216D247-K1212 IonicContact OD1-NZ 2.78Å; D247-K1212 PolarHBondContact OD1-NZ 3Å; D247-K1212 WeakPolarHBondContact OD2-CE 3.43Å; D247-K1212 IonicContact OD2-NZ 3.85Å; D247-K1212 PolarHBondContact OD2-NZ 3.12Å; K1067-K1212 PolarHBondContact NZ-O 2.9Å; Y1208-K1212 HydrophobicContact CD1-CG 4.46Å; Y1208-K1212 HydrophobicContact CE1-CG 4.13Å; Y1208-K1212 HydrophobicContact CE2-CG 4.46Å; Y1208-K1212 WeakPolarHBondContact O-CB 3.45Å; Y1208-K1212 WeakPolarHBondContact O-CG 3.42Å; Y1208-K1212 PolarHBondContact O-N 2.88Å; Y1208-K1212 VanDerWaalsContact OH-CE 3.32Å; Y1208-K1212 WeakPolarHBondContact OH-CE 3.16Å; Y1209-K1212 CarbonylContact O-C 3.55Å; Y1209-K1212 WeakPolarHBondContact O-CB 3.43Å; Y1209-K1212 PolarHBondContact O-N 2.91Å; Y1209-K1212 VanDerWaalsContact O-N 3.1Å; K1212-S1216 PolarHBondContact O-OG 3.26Å
1213I88.4Confident81.4Confident0 Ų046.7 Ų46.70%024%0.237CC..Hα-helixtrans-75.6-50.5171.4-65.6150.3000109.5L1064 K1067 Y1209 A1210 N1211 Q1215 S1216 W1217 V1234L1064-I1213 HydrophobicContact CB-CG2 4.45Å; L1064-I1213 HydrophobicContact CD1-CD1 3.54Å; L1064-I1213 HydrophobicContact CD1-CG1 4.43Å; L1064-I1213 HydrophobicContact CD1-CG2 4.22Å; K1067-I1213 HydrophobicContact CB-CD1 4.37Å; K1067-I1213 HydrophobicContact CB-CG1 4.1Å; K1067-I1213 HydrophobicContact CD-CG1 3.54Å; K1067-I1213 HydrophobicContact CG-CG1 4.45Å; Y1209-I1213 WeakPolarHBondContact O-CD1 3.47Å; Y1209-I1213 VanDerWaalsContact O-CG1 3.3Å; Y1209-I1213 WeakPolarHBondContact O-CG1 3.22Å; Y1209-I1213 PolarHBondContact O-N 3.33Å; A1210-I1213 PolarHBondContact O-N 3.35Å; N1211-I1213 VanDerWaalsContact C-N 3.32Å; N1211-I1213 PolarHBondContact O-N 2.83Å; I1213-Q1215 VanDerWaalsContact C-N 3.29Å; I1213-Q1215 PolarHBondContact O-N 3.47Å; I1213-S1216 PolarHBondContact O-N 2.64Å; I1213-S1216 PolarHBondContact O-OG 2.82Å; I1213-W1217 HydrophobicContact CG2-CZ2 4.07Å; I1213-W1217 PolarHBondContact O-N 2.97Å; I1213-V1234 HydrophobicContact CB-CG2 4.4Å; I1213-V1234 HydrophobicContact CG2-CG2 3.76Å
1214T88.8Confident79.2Confident13 Ų1356 Ų568%0.0827%0.273CS..Hα-helixtrans-56.6-42177.7-57.70000112A1210 N1211 S1216 W1217 Y1218 T1233 V1234A1210-T1214 WeakPolarHBondContact O-CB 3.05Å; A1210-T1214 PolarHBondContact O-N 3.25Å; A1210-T1214 PolarHBondContact O-OG1 3.15Å; N1211-T1214 PolarHBondContact O-N 2.83Å; T1214-S1216 PolarHBondContact O-N 2.75Å; T1214-W1217 PolarHBondContact O-N 3.39Å; T1214-Y1218 HydrophobicContact CG2-CD2 4.18Å; T1214-Y1218 HydrophobicContact CG2-CE2 3.54Å; T1214-Y1218 WeakPolarHBondContact O-CD2 3.26Å; T1214-Y1218 PolarHBondContact O-N 2.96Å; T1214-T1233 HydrophobicContact CG2-CG2 3.92Å; T1214-V1234 PolarHBondContact OG1-N 2.03Å; T1214-V1234 PolarHBondContact OG1-O 3.5Å
1215Q85.3Confident76.7Confident111 Ų11158.6 Ų58.652%0.51929%0.289SS..Hα-helixtrans-60.1-43.6174.6-78171.7-15.500112.6N1211 I1213 W1217 Y1218 T1219N1211-Q1215 WeakPolarHBondContact O-CB 3.36Å; N1211-Q1215 VanDerWaalsContact O-CG 3.28Å; N1211-Q1215 WeakPolarHBondContact O-CG 3.25Å; N1211-Q1215 PolarHBondContact O-N 3.07Å; I1213-Q1215 VanDerWaalsContact C-N 3.29Å; I1213-Q1215 PolarHBondContact O-N 3.47Å; Q1215-W1217 VanDerWaalsContact C-N 3.26Å; Q1215-W1217 PolarHBondContact O-N 3.06Å; Q1215-Y1218 PolarHBondContact O-N 3.42Å; Q1215-T1219 PolarHBondContact O-N 2.97Å; Q1215-T1219 VanDerWaalsContact O-N 3.11Å; Q1215-T1219 PolarHBondContact O-OG1 3.49Å
1216S82.7Confident74.3Confident19 Ų1966.6 Ų66.613%0.13333%0.331CS..Hα-helixtrans-67.5-22.3178.744.10000114.3K1067 K1212 I1213 T1214 T1219 T1220K1067-S1216 PolarHBondContact NZ-OG 3.44Å; K1212-S1216 PolarHBondContact O-OG 3.26Å; I1213-S1216 PolarHBondContact O-N 2.64Å; I1213-S1216 PolarHBondContact O-OG 2.82Å; T1214-S1216 PolarHBondContact O-N 2.75Å; S1216-T1219 WeakPolarHBondContact CA-OG1 3.43Å; S1216-T1219 PolarHBondContact O-OG1 3.45Å; S1216-T1219 VanDerWaalsContact O-OG1 3.06Å; S1216-T1220 PolarHBondContact O-OG1 2.92Å; S1216-T1220 VanDerWaalsContact O-OG1 3.11Å
1217W82.4Confident72Confident4 Ų468.8 Ų68.82%0.01535%0.353CS..Hα-helixtrans-74-44.6172-63.8-13.7000111.4I1038 Q1052 V1053 I1213 T1214 Q1215 T1219 T1220 T1221 N1232 V1234I1038-W1217 HydrophobicContact CD1-CH2 3.89Å; I1038-W1217 HydrophobicContact CD1-CZ2 4.37Å; I1038-W1217 HydrophobicContact CG1-CH2 3.98Å; I1038-W1217 HydrophobicContact CG2-CH2 3.9Å; I1038-W1217 HydrophobicContact CG2-CZ3 4.19Å; Q1052-W1217 PolarHBondContact O-NE1 3.38Å; V1053-W1217 HydrophobicContact CG2-CZ2 4.16Å; I1213-W1217 HydrophobicContact CG2-CZ2 4.07Å; I1213-W1217 PolarHBondContact O-N 2.97Å; T1214-W1217 PolarHBondContact O-N 3.39Å; Q1215-W1217 VanDerWaalsContact C-N 3.26Å; Q1215-W1217 PolarHBondContact O-N 3.06Å; W1217-T1219 PolarHBondContact O-N 2.9Å; W1217-T1220 PolarHBondContact O-N 2.81Å; W1217-T1221 PolarHBondContact O-N 2.73Å; W1217-T1221 VanDerWaalsContact O-N 3.08Å; W1217-T1221 PolarHBondContact O-OG1 2.94Å; W1217-N1232 WeakPolarHBondContact CZ3-ND2 3.46Å; W1217-V1234 HydrophobicContact CE3-CG2 4.19Å; W1217-V1234 HydrophobicContact CH2-CG2 3.23Å; W1217-V1234 HydrophobicContact CZ2-CG2 3.8Å; W1217-V1234 HydrophobicContact CZ3-CG2 3.44Å; W1217-V1234 VanDerWaalsContact CZ3-CG2 3.44Å
1218Y76.3Confident69.5Low69 Ų6974 Ų7427%0.27139%0.39SS..Hα-helixtrans-62.1-43.3177.1-64.9-46.1000112.5T1214 Q1215 T1220 T1221 D1222T1214-Y1218 HydrophobicContact CG2-CD2 4.18Å; T1214-Y1218 HydrophobicContact CG2-CE2 3.54Å; T1214-Y1218 WeakPolarHBondContact O-CD2 3.26Å; T1214-Y1218 PolarHBondContact O-N 2.96Å; Q1215-Y1218 PolarHBondContact O-N 3.42Å; Y1218-T1220 PolarHBondContact O-N 3.09Å; Y1218-T1221 PolarHBondContact O-N 3.26Å; Y1218-D1222 PolarHBondContact O-N 2.7Å
1219T68.8Low67.3Low98 Ų9875 Ų7560%0.60140%0.399SS*.Hα-helixtrans-61-27.8177.551.50000114.2Q1215 S1216 W1217Q1215-T1219 PolarHBondContact O-N 2.97Å; Q1215-T1219 VanDerWaalsContact O-N 3.11Å; Q1215-T1219 PolarHBondContact O-OG1 3.49Å; S1216-T1219 WeakPolarHBondContact CA-OG1 3.43Å; S1216-T1219 PolarHBondContact O-OG1 3.45Å; S1216-T1219 VanDerWaalsContact O-OG1 3.06Å; W1217-T1219 PolarHBondContact O-N 2.9Å
1220T61Low65.5Low60 Ų6083.3 Ų83.337%0.36843%0.43SS..Hα-helixtrans-79-36.1173.8-56.60000111.2S1216 W1217 Y1218S1216-T1220 PolarHBondContact O-OG1 2.92Å; S1216-T1220 VanDerWaalsContact O-OG1 3.11Å; W1217-T1220 PolarHBondContact O-N 2.81Å; Y1218-T1220 PolarHBondContact O-N 3.09Å
1221T57.6Low64.1Low37 Ų3793.4 Ų93.423%0.22747%0.468CS..Hα-helixtrans-78.2-31.6-173.5-48.30000113.2W1217 Y1218 N1223 Y1224 I1229W1217-T1221 PolarHBondContact O-N 2.73Å; W1217-T1221 VanDerWaalsContact O-N 3.08Å; W1217-T1221 PolarHBondContact O-OG1 2.94Å; Y1218-T1221 PolarHBondContact O-N 3.26Å; T1221-N1223 PolarHBondContact O-N 2.68Å; T1221-Y1224 PolarHBondContact O-N 3.49Å; T1221-I1229 HydrophobicContact CG2-CD1 3.84Å; T1221-I1229 HydrophobicContact CG2-CG1 4.3Å; T1221-I1229 HydrophobicContact CG2-CG2 4.35Å
1222D52.2Low63.4Low108 Ų10891.1 Ų91.158%0.57846%0.456SS*.THydrogen-bonded Turntrans-62.4-15.6-176.7-77-27.8000114.4Y1218 Y1224Y1218-D1222 PolarHBondContact O-N 2.7Å; D1222-Y1224 PolarHBondContact O-N 3.21Å
1223N50Low63.4Low142 Ų14290.6 Ų90.676%0.75946%0.457SS*.THydrogen-bonded Turntrans-71-14.1170.2-72.4-54.8000113.7T1221T1221-N1223 PolarHBondContact O-N 2.68Å
1224Y46.7Very low63.6Low196 Ų19690.7 Ų90.777%0.76946%0.458SS*.SBendtrans-108.771175.6-84-87.9000111.2T1221 D1222T1221-Y1224 PolarHBondContact O-N 3.49Å; D1222-Y1224 PolarHBondContact O-N 3.21Å
1225M39.5Very low63.9Low159 Ų15990.7 Ų90.778%0.78346%0.457SS*.  trans-59154.2172.9-70.2-168.9-178.100112.8
1226N41.5Very low64.4Low170 Ų17085.4 Ų85.491%0.90943%0.432SS*.SBendtrans8030.4170-49.5-38.6000117.7
1227G44.8Very low65Low45 Ų4584.7 Ų84.746%0.46443%0.427SS..SBendtrans-112153.4160.300000112.6I1229G1227-I1229 PolarHBondContact O-N 2.92Å
1228P40.6Very low65.7Low132 Ų13284.5 Ų84.586%0.85743%0.426SS*.  trans-74.177.7165.732.2-33.5000109.3R1230P1228-R1230 PolarHBondContact O-N 3.04Å
1229I46.1Very low66.4Low78 Ų7883.8 Ų83.840%0.443%0.429SS..  trans-58.6109-177.5-60.4167.6000109T1221 G1227 R1231T1221-I1229 HydrophobicContact CG2-CD1 3.84Å; T1221-I1229 HydrophobicContact CG2-CG1 4.3Å; T1221-I1229 HydrophobicContact CG2-CG2 4.35Å; G1227-I1229 PolarHBondContact O-N 2.92Å; I1229-R1231 PolarHBondContact O-N 2.98Å
1230R52.5Low67.5Low187 Ų18779.6 Ų79.671%0.70640%0.402SS*.  trans-63.8120.5168.5-68-172-179.3-162.73.2106.9P1228 N1232P1228-R1230 PolarHBondContact O-N 3.04Å; R1230-N1232 VanDerWaalsContact C-N 3.27Å; R1230-N1232 PolarHBondContact O-N 3.05Å; R1230-N1232 PolarHBondContact O-OD1 3.38Å
1231R62.2Low69.1Low212 Ų21276.9 Ų76.980%0.839%0.385SS*.  trans-70.978.8-176.4-62.4-178-169.6167.32.5110.9I1229 T1233I1229-R1231 PolarHBondContact O-N 2.98Å; R1231-T1233 PolarHBondContact O-N 3.46Å
1232N76.6Confident70.8Confident15 Ų1575.3 Ų75.38%0.0838%0.376CS..  trans-68.4127.7170.660.7-54.6000109.5T1039 H1042 W1217 R1230T1039-N1232 WeakPolarHBondContact OG1-CA 3.45Å; H1042-N1232 HydrophobicContact CB-CB 4.14Å; H1042-N1232 PolarHBondContact ND1-ND2 2.99Å; W1217-N1232 WeakPolarHBondContact CZ3-ND2 3.46Å; R1230-N1232 VanDerWaalsContact C-N 3.27Å; R1230-N1232 PolarHBondContact O-N 3.05Å; R1230-N1232 PolarHBondContact O-OD1 3.38Å
1233T88.3Confident72.6Confident47 Ų4772.8 Ų72.829%0.28836%0.36SS..  trans-126.7153.8178.459.10000110.6T1039 T1214 R1231T1039-T1233 WeakPolarHBondContact CG2-OG1 3.44Å; T1039-T1233 PolarHBondContact N-O 3.18Å; T1039-T1233 VanDerWaalsContact N-O 3.12Å; T1039-T1233 PolarHBondContact OG1-N 3.29Å; T1039-T1233 PolarHBondContact OG1-O 2.74Å; T1214-T1233 HydrophobicContact CG2-CG2 3.92Å; R1231-T1233 PolarHBondContact O-N 3.46Å
1234V92.4Very high74.5Confident3 Ų366.9 Ų66.92%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-99.6130.8164.5-174.30000108.1F1036 V1037 L1064 A1210 I1213 T1214 W1217F1036-V1234 HydrophobicContact CB-CG1 4.29Å; F1036-V1234 HydrophobicContact CD1-CG1 4.3Å; V1037-V1234 WeakPolarHBondContact O-CA 3.1Å; L1064-V1234 HydrophobicContact CD1-CG1 4.07Å; A1210-V1234 HydrophobicContact CB-CB 4.45Å; A1210-V1234 HydrophobicContact CB-CG1 4.1Å; I1213-V1234 HydrophobicContact CB-CG2 4.4Å; I1213-V1234 HydrophobicContact CG2-CG2 3.76Å; T1214-V1234 PolarHBondContact OG1-N 2.03Å; T1214-V1234 PolarHBondContact OG1-O 3.5Å; W1217-V1234 HydrophobicContact CE3-CG2 4.19Å; W1217-V1234 HydrophobicContact CH2-CG2 3.23Å; W1217-V1234 HydrophobicContact CZ2-CG2 3.8Å; W1217-V1234 HydrophobicContact CZ3-CG2 3.44Å; W1217-V1234 VanDerWaalsContact CZ3-CG2 3.44Å
1235F94.8Very high76.7Confident12 Ų1258.7 Ų58.75%0.05330%0.296CS..EExtended strand (participates in β ladder)trans-131.1147.2167.171-92.6000111.1E398 Y401 V1037 T1039E398-F1235 HydrophobicContact CB-CD2 3.64Å; E398-F1235 HydrophobicContact CB-CE2 3.65Å; E398-F1235 HydrophobicContact CB-CG 4.47Å; E398-F1235 HydrophobicContact CB-CZ 4.49Å; E398-F1235 HydrophobicContact CG-CB 4.19Å; E398-F1235 HydrophobicContact CG-CD2 3.54Å; E398-F1235 HydrophobicContact CG-CE2 4Å; E398-F1235 HydrophobicContact CG-CG 3.91Å; E398-F1235 WeakPolarHBondContact O-CE2 3.32Å; E398-F1235 WeakPolarHBondContact OE1-CB 3.29Å; Y401-F1235 AromaticContact CD1-CE1 3.77Å; Y401-F1235 HydrophobicContact CD1-CE1 3.77Å; Y401-F1235 AromaticContact CD1-CZ 3.72Å; Y401-F1235 HydrophobicContact CD1-CZ 3.72Å; Y401-F1235 HydrophobicContact CE1-CE1 4.18Å; Y401-F1235 HydrophobicContact CE1-CZ 4.5Å; Y401-F1235 HydrophobicContact CG-CE1 4.46Å; Y401-F1235 HydrophobicContact CG-CZ 4.38Å; V1037-F1235 HydrophobicContact CB-CD1 4.12Å; V1037-F1235 HydrophobicContact CB-CD2 4.33Å; V1037-F1235 HydrophobicContact CB-CE1 3.73Å; V1037-F1235 HydrophobicContact CB-CE2 3.97Å; V1037-F1235 HydrophobicContact CB-CG 4.41Å; V1037-F1235 HydrophobicContact CB-CZ 3.66Å; V1037-F1235 HydrophobicContact CG1-CD1 4.39Å; V1037-F1235 HydrophobicContact CG1-CE1 3.63Å; V1037-F1235 HydrophobicContact CG1-CE2 4.47Å; V1037-F1235 HydrophobicContact CG1-CZ 3.68Å; V1037-F1235 HydrophobicContact CG2-CD2 4.46Å; V1037-F1235 HydrophobicContact CG2-CE1 4.47Å; V1037-F1235 HydrophobicContact CG2-CE2 3.88Å; V1037-F1235 HydrophobicContact CG2-CZ 3.89Å; V1037-F1235 PolarHBondContact N-O 2.91Å; V1037-F1235 PolarHBondContact O-N 3.12Å; V1037-F1235 VanDerWaalsContact O-N 3.1Å; T1039-F1235 HydrophobicContact CG2-CD1 4.13Å; T1039-F1235 HydrophobicContact CG2-CE1 4Å
1236P95.8Very high79Confident0 Ų052 Ų520%026%0.263CS..EExtended strand (participates in β ladder)trans-90.7136.3174.936.9-29.4000109.4V1034 Y1035 F1036 A1206 R1207 A1210 Y1241V1034-P1236 HydrophobicContact CG2-CB 4.03Å; Y1035-P1236 CarbonylContact O-C 3.42Å; Y1035-P1236 WeakPolarHBondContact O-CA 3.34Å; F1036-P1236 HydrophobicContact CD1-CB 4.22Å; F1036-P1236 HydrophobicContact CE1-CB 4.08Å; A1206-P1236 HydrophobicContact CB-CB 3.83Å; A1206-P1236 HydrophobicContact CB-CG 3.94Å; R1207-P1236 HydrophobicContact CB-CG 4.5Å; R1207-P1236 HydrophobicContact CG-CG 3.76Å; A1210-P1236 HydrophobicContact CB-CG 4.17Å; P1236-Y1241 HydrophobicContact CB-CE2 3.89Å; P1236-Y1241 HydrophobicContact CG-CE2 3.97Å; P1236-Y1241 WeakPolarHBondContact O-CD2 3.17Å; P1236-Y1241 VanDerWaalsContact O-CE2 3.3Å; P1236-Y1241 WeakPolarHBondContact O-CE2 3.34Å
1237Y95.9Very high81.3Confident4 Ų445.2 Ų45.22%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-120.2133.3172171.6-107.2000110.4K399 F402 F409 V1034 Y1035K399-Y1237 HydrophobicContact CB-CD2 4.33Å; K399-Y1237 HydrophobicContact CB-CE2 3.73Å; K399-Y1237 HydrophobicContact CD-CE2 4.18Å; K399-Y1237 HydrophobicContact CG-CE2 3.82Å; K399-Y1237 PolarHBondContact NZ-OH 2.92Å; F402-Y1237 HydrophobicContact CB-CD1 4.13Å; F402-Y1237 HydrophobicContact CB-CD2 4.43Å; F402-Y1237 HydrophobicContact CB-CE1 4.29Å; F402-Y1237 HydrophobicContact CB-CG 4.19Å; F402-Y1237 AromaticContact CD1-CD1 3.84Å; F402-Y1237 HydrophobicContact CD1-CD1 3.84Å; F402-Y1237 AromaticContact CD1-CE1 3.46Å; F402-Y1237 HydrophobicContact CD1-CE1 3.46Å; F402-Y1237 VanDerWaalsContact CD1-CE1 3.46Å; F402-Y1237 AromaticContact CD2-CD1 3.35Å; F402-Y1237 HydrophobicContact CD2-CD1 3.35Å; F402-Y1237 AromaticContact CD2-CE1 3.9Å; F402-Y1237 HydrophobicContact CD2-CE1 3.9Å; F402-Y1237 AromaticContact CD2-CG 3.93Å; F402-Y1237 HydrophobicContact CD2-CG 3.93Å; F402-Y1237 HydrophobicContact CE1-CD1 4.08Å; F402-Y1237 AromaticContact CE1-CE1 3.67Å; F402-Y1237 HydrophobicContact CE1-CE1 3.67Å; F402-Y1237 AromaticContact CE2-CD1 3.62Å; F402-Y1237 HydrophobicContact CE2-CD1 3.62Å; F402-Y1237 HydrophobicContact CE2-CE1 4.08Å; F402-Y1237 AromaticContact CG-CD1 3.48Å; F402-Y1237 HydrophobicContact CG-CD1 3.48Å; F402-Y1237 VanDerWaalsContact CG-CD1 3.48Å; F402-Y1237 AromaticContact CG-CE1 3.6Å; F402-Y1237 HydrophobicContact CG-CE1 3.6Å; F402-Y1237 HydrophobicContact CG-CG 4.02Å; F402-Y1237 AromaticContact CZ-CD1 3.98Å; F402-Y1237 HydrophobicContact CZ-CD1 3.98Å; F402-Y1237 AromaticContact CZ-CE1 3.97Å; F402-Y1237 HydrophobicContact CZ-CE1 3.97Å; F409-Y1237 HydrophobicContact CB-CE1 4.31Å; V1034-Y1237 WeakPolarHBondContact CA-O 3.46Å; Y1035-Y1237 HydrophobicContact CD2-CD1 4.04Å; Y1035-Y1237 PolarHBondContact N-O 2.86Å; Y1035-Y1237 PolarHBondContact O-N 3.14Å
1238S95.5Very high83.3Confident1 Ų146.1 Ų46.11%0.00722%0.218CC..  trans-147.3152.5165.7-170.20000108.9P1033 F1240 Y1241P1033-S1238 VanDerWaalsContact O-CB 3.29Å; P1033-S1238 WeakPolarHBondContact O-CB 3.44Å; P1033-S1238 PolarHBondContact O-OG 3.06Å; S1238-F1240 PolarHBondContact O-N 2.97Å; S1238-F1240 VanDerWaalsContact O-N 3.08Å; S1238-F1240 WeakPolarHBondContact OG-CE1 3.38Å; S1238-Y1241 WeakPolarHBondContact O-CB 3.48Å; S1238-Y1241 PolarHBondContact O-N 3.37Å
1239V91.7Very high85.6Confident53 Ų5342.9 Ų42.932%0.32120%0.196SC..THydrogen-bonded Turntrans-54.9-33.4-170.965.90000113.5F409F409-V1239 HydrophobicContact CD1-CB 4.25Å; F409-V1239 HydrophobicContact CD1-CG2 4.27Å; F409-V1239 HydrophobicContact CE1-CB 4.27Å
1240F92.2Very high87.6Confident10 Ų1039.1 Ų39.14%0.04418%0.177CC..THydrogen-bonded Turntrans-83.4-11.4-177.668.9-92.3000114.8P1032 H1190 L1193 Y1199 A1202 S1238 V1242 F1243 Y1244P1032-F1240 HydrophobicContact CB-CD1 4.02Å; P1032-F1240 HydrophobicContact CB-CE1 3.99Å; P1032-F1240 HydrophobicContact CG-CD1 3.88Å; P1032-F1240 HydrophobicContact CG-CE1 3.92Å; H1190-F1240 AromaticContact CD2-CE1 3.84Å; H1190-F1240 AromaticContact CD2-CZ 3.89Å; H1190-F1240 AromaticContact NE2-CZ 3.97Å; L1193-F1240 HydrophobicContact CD1-CE1 3.72Å; L1193-F1240 HydrophobicContact CD1-CE2 4.1Å; L1193-F1240 HydrophobicContact CD1-CZ 3.44Å; L1193-F1240 VanDerWaalsContact CD1-CZ 3.44Å; Y1199-F1240 HydrophobicContact CD1-CB 4.39Å; Y1199-F1240 HydrophobicContact CD1-CD1 4.41Å; Y1199-F1240 AromaticContact CD1-CD2 3.68Å; Y1199-F1240 HydrophobicContact CD1-CD2 3.68Å; Y1199-F1240 AromaticContact CD1-CE2 3.93Å; Y1199-F1240 HydrophobicContact CD1-CE2 3.93Å; Y1199-F1240 AromaticContact CD1-CG 3.92Å; Y1199-F1240 HydrophobicContact CD1-CG 3.92Å; Y1199-F1240 HydrophobicContact CD1-CZ 4.39Å; Y1199-F1240 HydrophobicContact CG-CD2 4.41Å; Y1199-F1240 HydrophobicContact CG-CE2 4.47Å; Y1199-F1240 WeakPolarHBondContact O-CE2 3.41Å; A1202-F1240 HydrophobicContact CB-CZ 4.35Å; S1238-F1240 PolarHBondContact O-N 2.97Å; S1238-F1240 VanDerWaalsContact O-N 3.08Å; S1238-F1240 WeakPolarHBondContact OG-CE1 3.38Å; F1240-V1242 PolarHBondContact O-N 3.01Å; F1240-F1243 PolarHBondContact O-N 2.89Å; F1240-Y1244 HydrophobicContact CB-CD2 4.04Å; F1240-Y1244 HydrophobicContact CB-CE2 4.28Å; F1240-Y1244 AromaticContact CD2-CD2 3.87Å; F1240-Y1244 HydrophobicContact CD2-CD2 3.87Å; F1240-Y1244 HydrophobicContact CD2-CG 4.47Å; F1240-Y1244 HydrophobicContact CG-CD2 4.43Å; F1240-Y1244 WeakPolarHBondContact O-CD2 3.08Å; F1240-Y1244 PolarHBondContact O-N 3.33Å
1241Y94.9Very high89.3Confident3 Ų336.1 Ų36.11%0.01217%0.169CC..Hα-helixtrans-63.5-27.2-173.1-72.85.8000113.4S395 V1034 H1190 L1203 A1206 P1236 S1238 E1245S395-Y1241 VanDerWaalsContact CB-O 3.26Å; S395-Y1241 WeakPolarHBondContact CB-O 3.29Å; S395-Y1241 PolarHBondContact OG-O 2.99Å; V1034-Y1241 WeakPolarHBondContact CG2-OH 3.2Å; H1190-Y1241 AromaticContact NE2-CE1 3.79Å; H1190-Y1241 AromaticContact NE2-CZ 3.75Å; H1190-Y1241 PolarHBondContact NE2-OH 2.75Å; L1203-Y1241 HydrophobicContact CB-CD1 4.38Å; L1203-Y1241 HydrophobicContact CB-CE1 4.33Å; L1203-Y1241 HydrophobicContact CD1-CD1 3.82Å; L1203-Y1241 HydrophobicContact CD1-CD2 3.68Å; L1203-Y1241 HydrophobicContact CD1-CE1 4.12Å; L1203-Y1241 HydrophobicContact CD1-CE2 3.98Å; L1203-Y1241 HydrophobicContact CD1-CG 3.6Å; A1206-Y1241 WeakPolarHBondContact CB-OH 3.43Å; P1236-Y1241 HydrophobicContact CB-CE2 3.89Å; P1236-Y1241 HydrophobicContact CG-CE2 3.97Å; P1236-Y1241 WeakPolarHBondContact O-CD2 3.17Å; P1236-Y1241 VanDerWaalsContact O-CE2 3.3Å; P1236-Y1241 WeakPolarHBondContact O-CE2 3.34Å; S1238-Y1241 WeakPolarHBondContact O-CB 3.48Å; S1238-Y1241 PolarHBondContact O-N 3.37Å; Y1241-E1245 WeakPolarHBondContact O-CB 3.17Å; Y1241-E1245 PolarHBondContact O-N 2.95Å
1242V92Very high90.5Very high4 Ų431.4 Ų31.42%0.02416%0.16CC..Hα-helixtrans-70.6-28.3175.4-660000113.1V385 S389 K399 F1240V385-V1242 HydrophobicContact CG1-CB 4.43Å; V385-V1242 HydrophobicContact CG1-CG2 4.21Å; V385-V1242 HydrophobicContact CG2-CG2 4.35Å; S389-V1242 WeakPolarHBondContact CB-O 3.06Å; K399-V1242 HydrophobicContact CB-CG1 4.01Å; K399-V1242 HydrophobicContact CD-CG1 3.97Å; F1240-V1242 PolarHBondContact O-N 3.01Å
1243F90.1Very high91.1Very high56 Ų5632.2 Ų32.225%0.24616%0.163CC..Hα-helixtrans-87.4-38.8-179.3-53.6-59.3000112.3P384 V385 W388 F1240 Q1246P384-F1243 HydrophobicContact CB-CE1 3.88Å; P384-F1243 HydrophobicContact CB-CZ 4.47Å; P384-F1243 HydrophobicContact CG-CE1 4.15Å; P384-F1243 HydrophobicContact CG-CZ 4.27Å; V385-F1243 HydrophobicContact CB-CE1 4.42Å; V385-F1243 HydrophobicContact CG2-CE1 3.76Å; V385-F1243 HydrophobicContact CG2-CZ 3.69Å; W388-F1243 HydrophobicContact CB-CD1 4.49Å; F1240-F1243 PolarHBondContact O-N 2.89Å; F1243-Q1246 PolarHBondContact O-NE2 3.33Å
1244Y91.3Very high91.2Very high18 Ų1830.3 Ų30.37%0.07115%0.152CC..Hα-helixtrans-90.8-9.2-173.5-72.7-89.1000114.7I1004 Y1199 V1200 F1240 Q1246 Y1247I1004-Y1244 HydrophobicContact CG2-CD1 4.23Å; I1004-Y1244 HydrophobicContact CG2-CE1 3.91Å; Y1199-Y1244 HydrophobicContact CD1-CD2 4.21Å; Y1199-Y1244 AromaticContact CD1-CE2 3.74Å; Y1199-Y1244 HydrophobicContact CD1-CE2 3.74Å; Y1199-Y1244 AromaticContact CD1-CZ 3.99Å; Y1199-Y1244 HydrophobicContact CD2-CE1 4.25Å; Y1199-Y1244 HydrophobicContact CE1-CE2 4.4Å; Y1199-Y1244 HydrophobicContact CG-CD1 4.37Å; Y1199-Y1244 HydrophobicContact CG-CD2 4.27Å; Y1199-Y1244 AromaticContact CG-CE1 3.96Å; Y1199-Y1244 HydrophobicContact CG-CE1 3.96Å; Y1199-Y1244 AromaticContact CG-CE2 3.84Å; Y1199-Y1244 HydrophobicContact CG-CE2 3.84Å; Y1199-Y1244 AromaticContact CG-CZ 3.67Å; V1200-Y1244 HydrophobicContact CG2-CD1 3.92Å; F1240-Y1244 HydrophobicContact CB-CD2 4.04Å; F1240-Y1244 HydrophobicContact CB-CE2 4.28Å; F1240-Y1244 AromaticContact CD2-CD2 3.87Å; F1240-Y1244 HydrophobicContact CD2-CD2 3.87Å; F1240-Y1244 HydrophobicContact CD2-CG 4.47Å; F1240-Y1244 HydrophobicContact CG-CD2 4.43Å; F1240-Y1244 WeakPolarHBondContact O-CD2 3.08Å; F1240-Y1244 PolarHBondContact O-N 3.33Å; Y1244-Q1246 VanDerWaalsContact C-N 3.3Å; Y1244-Q1246 PolarHBondContact O-N 3.41Å; Y1244-Y1247 AromaticContact CD1-CD2 3.71Å; Y1244-Y1247 HydrophobicContact CD1-CD2 3.71Å; Y1244-Y1247 AromaticContact CD1-CE2 3.7Å; Y1244-Y1247 HydrophobicContact CD1-CE2 3.7Å; Y1244-Y1247 HydrophobicContact CE1-CE2 4.16Å; Y1244-Y1247 HydrophobicContact CG-CD2 4.32Å; Y1244-Y1247 HydrophobicContact CG-CE2 4.35Å; Y1244-Y1247 PolarHBondContact O-N 3Å
1245E91.1Very high91.1Very high24 Ų2432.9 Ų32.911%0.11217%0.173CC..G310 helixtrans-60.8-35.9175.4171.8164.5-10500113.3S393 R394 S395 L1203 R1207 Y1241 Y1247 L1248S393-E1245 WeakPolarHBondContact CB-OE2 3.43Å; S393-E1245 PolarHBondContact OG-OE2 3.03Å; R394-E1245 WeakPolarHBondContact CB-OE1 3.34Å; R394-E1245 PolarHBondContact N-OE2 2.83Å; S395-E1245 VanDerWaalsContact CB-OE2 3.29Å; S395-E1245 WeakPolarHBondContact CB-OE2 3.31Å; S395-E1245 PolarHBondContact N-OE1 3.4Å; S395-E1245 VanDerWaalsContact N-OE1 3.17Å; S395-E1245 PolarHBondContact N-OE2 3.39Å; S395-E1245 WeakPolarHBondContact OG-CB 3.36Å; S395-E1245 VanDerWaalsContact OG-CD 3.28Å; S395-E1245 PolarHBondContact OG-OE1 2.6Å; S395-E1245 PolarHBondContact OG-OE2 2.96Å; L1203-E1245 HydrophobicContact CD2-CB 4.35Å; R1207-E1245 IonicContact CZ-OE1 3.57Å; R1207-E1245 IonicContact NH1-OE1 2.75Å; R1207-E1245 PolarHBondContact NH1-OE1 3.46Å; R1207-E1245 IonicContact NH2-OE1 2.66Å; R1207-E1245 PolarHBondContact NH2-OE1 3.27Å; Y1241-E1245 WeakPolarHBondContact O-CB 3.17Å; Y1241-E1245 PolarHBondContact O-N 2.95Å; E1245-Y1247 PolarHBondContact O-N 3.16Å; E1245-Y1247 VanDerWaalsContact O-N 3.08Å; E1245-L1248 VanDerWaalsContact O-CB 3.3Å; E1245-L1248 WeakPolarHBondContact O-CB 3.33Å; E1245-L1248 WeakPolarHBondContact O-CG 3.5Å; E1245-L1248 PolarHBondContact O-N 2.87Å
1246Q89Confident90.9Very high19 Ų1937.9 Ų37.99%0.08920%0.195CC..G310 helixtrans-55.3-31.4-179.672.7-173-71.300112.8M823 F1243 Y1244 L1248 T1249 L1250M823-Q1246 HydrophobicContact CE-CB 4.11Å; F1243-Q1246 PolarHBondContact O-NE2 3.33Å; Y1244-Q1246 VanDerWaalsContact C-N 3.3Å; Y1244-Q1246 PolarHBondContact O-N 3.41Å; Q1246-L1248 PolarHBondContact O-N 3.16Å; Q1246-T1249 PolarHBondContact O-N 3.01Å; Q1246-L1250 WeakPolarHBondContact O-CB 3.31Å; Q1246-L1250 PolarHBondContact O-N 3Å
1247Y89.1Confident90.7Very high27 Ų2737.9 Ų37.911%0.10620%0.196CC..G310 helixtrans-75.8-9.3-179.2-53.9-59.2000113.7L1003 I1004 L1005 V1200 Y1244 E1245 L1250 N1306L1003-Y1247 WeakPolarHBondContact O-CD1 3.32Å; L1003-Y1247 WeakPolarHBondContact O-CE1 3.42Å; I1004-Y1247 HydrophobicContact CG1-CG 4.31Å; I1004-Y1247 HydrophobicContact CG2-CD2 3.92Å; I1004-Y1247 HydrophobicContact CG2-CE1 4.35Å; I1004-Y1247 HydrophobicContact CG2-CE2 3.72Å; I1004-Y1247 HydrophobicContact CG2-CG 4.33Å; L1005-Y1247 WeakPolarHBondContact CB-OH 3.34Å; L1005-Y1247 PolarHBondContact N-OH 3.27Å; V1200-Y1247 HydrophobicContact CG2-CD2 4.07Å; V1200-Y1247 HydrophobicContact CG2-CG 4.37Å; Y1244-Y1247 AromaticContact CD1-CD2 3.71Å; Y1244-Y1247 HydrophobicContact CD1-CD2 3.71Å; Y1244-Y1247 AromaticContact CD1-CE2 3.7Å; Y1244-Y1247 HydrophobicContact CD1-CE2 3.7Å; Y1244-Y1247 HydrophobicContact CE1-CE2 4.16Å; Y1244-Y1247 HydrophobicContact CG-CD2 4.32Å; Y1244-Y1247 HydrophobicContact CG-CE2 4.35Å; Y1244-Y1247 PolarHBondContact O-N 3Å; E1245-Y1247 PolarHBondContact O-N 3.16Å; E1245-Y1247 VanDerWaalsContact O-N 3.08Å; Y1247-L1250 HydrophobicContact CD1-CD2 3.85Å; Y1247-L1250 HydrophobicContact CE1-CD2 4.28Å; Y1247-N1306 HydrophobicContact CE1-CB 4.28Å
1248L88.3Confident90.5Very high63 Ų6339.2 Ų39.233%0.3320%0.203SC..G310 helixtrans-75.3-26172.2-58.5178.9000112.4V1200 L1203 K1204 E1245 Q1246V1200-L1248 HydrophobicContact CG1-CD2 3.85Å; L1203-L1248 HydrophobicContact CD2-CD1 3.9Å; L1203-L1248 HydrophobicContact CD2-CG 4.37Å; L1203-L1248 HydrophobicContact CG-CD1 4.34Å; K1204-L1248 HydrophobicContact CD-CD2 4.3Å; K1204-L1248 HydrophobicContact CG-CD2 3.79Å; E1245-L1248 VanDerWaalsContact O-CB 3.3Å; E1245-L1248 WeakPolarHBondContact O-CB 3.33Å; E1245-L1248 WeakPolarHBondContact O-CG 3.5Å; E1245-L1248 PolarHBondContact O-N 2.87Å; Q1246-L1248 PolarHBondContact O-N 3.16Å
1249T88.1Confident90.4Very high64 Ų6441 Ų4139%0.39322%0.221SC..THydrogen-bonded Turntrans-120.4-12.2-177.954.10000114.2Q1246 F1251 N1252 E1253Q1246-T1249 PolarHBondContact O-N 3.01Å; T1249-F1251 VanDerWaalsContact C-N 3.28Å; T1249-F1251 PolarHBondContact O-N 3.46Å; T1249-N1252 PolarHBondContact O-N 3.4Å; T1249-E1253 PolarHBondContact O-N 3.37Å
1250L88.4Confident90.5Very high0 Ų040.2 Ų40.20%022%0.215CC..Hα-helixtrans-45.5-42.8-173.7174.263.6000114.8M823 L1003 Q1246 Y1247 A1254 L1305 L1310M823-L1250 HydrophobicContact CE-CB 4.25Å; M823-L1250 HydrophobicContact CE-CD1 3.75Å; M823-L1250 HydrophobicContact SD-CD1 4.37Å; L1003-L1250 WeakPolarHBondContact O-CD2 3.39Å; Q1246-L1250 WeakPolarHBondContact O-CB 3.31Å; Q1246-L1250 PolarHBondContact O-N 3Å; Y1247-L1250 HydrophobicContact CD1-CD2 3.85Å; Y1247-L1250 HydrophobicContact CE1-CD2 4.28Å; L1250-A1254 WeakPolarHBondContact O-CB 3.25Å; L1250-A1254 PolarHBondContact O-N 2.84Å; L1250-L1305 HydrophobicContact CD2-CG 4.33Å; L1250-L1305 VanDerWaalsContact CD2-O 3.26Å; L1250-L1305 WeakPolarHBondContact CD2-O 3.13Å; L1250-L1310 HydrophobicContact CD1-CD2 4.18Å
1251F87Confident90.6Very high123 Ų12339.7 Ų39.754%0.53921%0.212SC..Hα-helixtrans-64.1-42.4179.4-178.5-92.6000112.3T1249 A1254 A1255T1249-F1251 VanDerWaalsContact C-N 3.28Å; T1249-F1251 PolarHBondContact O-N 3.46Å; F1251-A1254 PolarHBondContact O-N 3.38Å; F1251-A1255 WeakPolarHBondContact O-CB 3.35Å; F1251-A1255 PolarHBondContact O-N 3.13Å
1252N88.9Confident90.6Very high114 Ų11441.6 Ų41.661%0.6122%0.223SC*.Hα-helixtrans-71-41.7178.9-65.2-15.9000111.1T1249 F1256T1249-N1252 PolarHBondContact O-N 3.4Å; N1252-F1256 VanDerWaalsContact O-CB 3.28Å; N1252-F1256 WeakPolarHBondContact O-CB 3.41Å; N1252-F1256 PolarHBondContact O-N 3.28Å
1253E88.1Confident90.8Very high32 Ų3246 Ų4615%0.1525%0.245CC..Hα-helixtrans-58.6-48.6172.2-74.6-85.4167.900110.8T821 T822 M823 T1249 F1256 Q1257T821-E1253 WeakPolarHBondContact CB-OE2 3.34Å; T821-E1253 PolarHBondContact OG1-OE2 3.09Å; T822-E1253 WeakPolarHBondContact CB-OE1 3.43Å; T822-E1253 VanDerWaalsContact CG2-OE1 3.25Å; T822-E1253 WeakPolarHBondContact CG2-OE1 3.24Å; T822-E1253 PolarHBondContact N-OE2 3.06Å; T822-E1253 VanDerWaalsContact OG1-CD 3.23Å; T822-E1253 PolarHBondContact OG1-OE1 2.79Å; M823-E1253 HydrophobicContact CE-CB 4.33Å; M823-E1253 HydrophobicContact CE-CG 4.33Å; T1249-E1253 PolarHBondContact O-N 3.37Å; E1253-F1256 PolarHBondContact O-N 3.13Å; E1253-Q1257 WeakPolarHBondContact O-CB 3.47Å; E1253-Q1257 PolarHBondContact O-N 3.31Å
1254A89.6Confident91Very high6 Ų643.7 Ų43.75%0.0524%0.236CC..Hα-helixtrans-63.8-43.5179.600000112.6L1250 F1251 Q1257 L1258 L1305 L1310L1250-A1254 WeakPolarHBondContact O-CB 3.25Å; L1250-A1254 PolarHBondContact O-N 2.84Å; F1251-A1254 PolarHBondContact O-N 3.38Å; A1254-Q1257 PolarHBondContact O-N 2.64Å; A1254-L1258 WeakPolarHBondContact O-CB 3.45Å; A1254-L1258 VanDerWaalsContact O-CG 3.3Å; A1254-L1258 WeakPolarHBondContact O-CG 3.43Å; A1254-L1258 PolarHBondContact O-N 3.24Å; A1254-L1305 HydrophobicContact CB-CD2 4.48Å; A1254-L1310 HydrophobicContact CB-CD1 3.78Å; A1254-L1310 HydrophobicContact CB-CD2 4.24Å
1255A90.9Very high91.2Very high57 Ų5742.8 Ų42.847%0.47123%0.233SC..Hα-helixtrans-64-42.8176.800000112F1251 G1259F1251-A1255 WeakPolarHBondContact O-CB 3.35Å; F1251-A1255 PolarHBondContact O-N 3.13Å; A1255-G1259 PolarHBondContact O-N 2.92Å
1256F91.6Very high91.5Very high117 Ų11744.4 Ų44.451%0.51324%0.24SC..Hα-helixtrans-63.4-48.4174.6178-100.6000111.7N1252 E1253 G1259 I1260N1252-F1256 VanDerWaalsContact O-CB 3.28Å; N1252-F1256 WeakPolarHBondContact O-CB 3.41Å; N1252-F1256 PolarHBondContact O-N 3.28Å; E1253-F1256 PolarHBondContact O-N 3.13Å; F1256-G1259 PolarHBondContact O-N 3.25Å; F1256-I1260 HydrophobicContact CE1-CD1 4.43Å; F1256-I1260 HydrophobicContact CZ-CD1 3.98Å; F1256-I1260 WeakPolarHBondContact O-CG2 3.39Å; F1256-I1260 PolarHBondContact O-N 3.49Å
1257Q90.5Very high91.8Very high1 Ų147.4 Ų47.41%0.00526%0.256CS..Hα-helixtrans-58.5-51.5-179.7-175.880.1-26.300112G818 E1253 A1254 G1259 I1260 C1261 L1310 V1314G818-Q1257 VanDerWaalsContact CA-NE2 3.33Å; G818-Q1257 PolarHBondContact O-NE2 3.06Å; G818-Q1257 PolarHBondContact O-OE1 3.34Å; E1253-Q1257 WeakPolarHBondContact O-CB 3.47Å; E1253-Q1257 PolarHBondContact O-N 3.31Å; A1254-Q1257 PolarHBondContact O-N 2.64Å; Q1257-G1259 VanDerWaalsContact C-N 3.34Å; Q1257-G1259 PolarHBondContact O-N 3.46Å; Q1257-I1260 WeakPolarHBondContact O-CG2 3.45Å; Q1257-C1261 WeakPolarHBondContact O-CB 3.4Å; Q1257-C1261 PolarHBondContact O-N 3.12Å; Q1257-C1261 VanDerWaalsContact O-N 3.08Å; Q1257-C1261 PolarHBondContact O-SG 2.95Å; Q1257-L1310 HydrophobicContact CB-CD1 4.48Å; Q1257-L1310 HydrophobicContact CG-CD1 4.3Å; Q1257-V1314 HydrophobicContact CG-CG2 3.65Å
1258L92.5Very high92Very high31 Ų3146.8 Ų46.816%0.16225%0.254CS..Hα-helixtrans-67.4-37.3179.1-63.3174.6000111A1254 L1262 L1313 V1314 L1317A1254-L1258 WeakPolarHBondContact O-CB 3.45Å; A1254-L1258 VanDerWaalsContact O-CG 3.3Å; A1254-L1258 WeakPolarHBondContact O-CG 3.43Å; A1254-L1258 PolarHBondContact O-N 3.24Å; L1258-L1262 WeakPolarHBondContact O-CB 3.49Å; L1258-L1262 VanDerWaalsContact O-CG 3.3Å; L1258-L1262 WeakPolarHBondContact O-CG 3.49Å; L1258-L1262 PolarHBondContact O-N 3.14Å; L1258-L1313 HydrophobicContact CD2-CB 4.06Å; L1258-V1314 HydrophobicContact CD2-CG2 4.27Å; L1258-L1317 HydrophobicContact CB-CD1 4.37Å; L1258-L1317 HydrophobicContact CD2-CD1 3.57Å; L1258-L1317 HydrophobicContact CD2-CG 4.27Å
1259G94Very high92.2Very high38 Ų3843.8 Ų43.839%0.39224%0.239SC..Hα-helixtrans-63-46.1175.600000113.7A1255 F1256 Q1257 L1262 L1263A1255-G1259 PolarHBondContact O-N 2.92Å; F1256-G1259 PolarHBondContact O-N 3.25Å; Q1257-G1259 VanDerWaalsContact C-N 3.34Å; Q1257-G1259 PolarHBondContact O-N 3.46Å; G1259-L1262 PolarHBondContact O-N 3.09Å; G1259-L1263 WeakPolarHBondContact O-CB 3.5Å; G1259-L1263 PolarHBondContact O-N 3.02Å
1260I93.8Very high92.5Very high37 Ų3742 Ų4219%0.1923%0.227CC..Hα-helixtrans-72.5-33.4-179.5-161.3161.1000112.2C817 L820 F1256 Q1257 L1263 A1264C817-I1260 HydrophobicContact CB-CG1 4.19Å; C817-I1260 HydrophobicContact CB-CG2 4.24Å; L820-I1260 HydrophobicContact CD1-CD1 3.73Å; F1256-I1260 HydrophobicContact CE1-CD1 4.43Å; F1256-I1260 HydrophobicContact CZ-CD1 3.98Å; F1256-I1260 WeakPolarHBondContact O-CG2 3.39Å; F1256-I1260 PolarHBondContact O-N 3.49Å; Q1257-I1260 WeakPolarHBondContact O-CG2 3.45Å; I1260-L1263 PolarHBondContact O-N 3.12Å; I1260-A1264 PolarHBondContact O-N 2.61Å
1261C94.2Very high92.6Very high0 Ų045.4 Ų45.40%024%0.244CC..Hα-helixtrans-67.1-42.4171.9-65.60000111.9A814 Q1257 L1263 A1264 I1265 L1317A814-C1261 HydrophobicContact CB-CB 4.29Å; A814-C1261 PolarHBondContact O-SG 3.33Å; Q1257-C1261 WeakPolarHBondContact O-CB 3.4Å; Q1257-C1261 PolarHBondContact O-N 3.12Å; Q1257-C1261 VanDerWaalsContact O-N 3.08Å; Q1257-C1261 PolarHBondContact O-SG 2.95Å; C1261-L1263 VanDerWaalsContact C-N 3.34Å; C1261-L1263 PolarHBondContact O-N 3.04Å; C1261-A1264 WeakPolarHBondContact O-CB 3.43Å; C1261-A1264 PolarHBondContact O-N 2.96Å; C1261-I1265 WeakPolarHBondContact O-CG1 3.29Å; C1261-I1265 PolarHBondContact O-N 3.1Å; C1261-L1317 HydrophobicContact CB-CD1 3.51Å
1262L95Very high92.7Very high43 Ų4341.1 Ų41.123%0.22523%0.226CC..Hα-helixtrans-62.6-39.3173.2-79.2167.3000112.3L1258 G1259 I1265 F1266 V1287 V1288 L1317L1258-L1262 WeakPolarHBondContact O-CB 3.49Å; L1258-L1262 VanDerWaalsContact O-CG 3.3Å; L1258-L1262 WeakPolarHBondContact O-CG 3.49Å; L1258-L1262 PolarHBondContact O-N 3.14Å; G1259-L1262 PolarHBondContact O-N 3.09Å; L1262-I1265 PolarHBondContact O-N 3.13Å; L1262-F1266 WeakPolarHBondContact O-CB 2.99Å; L1262-F1266 PolarHBondContact O-N 2.87Å; L1262-V1287 HydrophobicContact CD2-CG1 3.84Å; L1262-V1288 HydrophobicContact CD1-CG2 4.04Å; L1262-V1288 HydrophobicContact CD2-CG2 3.75Å; L1262-L1317 HydrophobicContact CD1-CD2 4.44Å; L1262-L1317 HydrophobicContact CD2-CD2 3.5Å; L1262-L1317 HydrophobicContact CG-CD1 4.47Å; L1262-L1317 HydrophobicContact CG-CD2 3.71Å
1263L95.2Very high92.7Very high96 Ų9636.1 Ų36.150%0.50320%0.198SC..Hα-helixtrans-64.1-41.2175-179.860.8000111.9G1259 I1260 C1261 F1266 I1267G1259-L1263 WeakPolarHBondContact O-CB 3.5Å; G1259-L1263 PolarHBondContact O-N 3.02Å; I1260-L1263 PolarHBondContact O-N 3.12Å; C1261-L1263 VanDerWaalsContact C-N 3.34Å; C1261-L1263 PolarHBondContact O-N 3.04Å; L1263-F1266 PolarHBondContact O-N 2.04Å; L1263-I1267 HydrophobicContact CD1-CD1 4.01Å; L1263-I1267 HydrophobicContact CD1-CG1 4.28Å; L1263-I1267 HydrophobicContact CG-CD1 3.95Å; L1263-I1267 VanDerWaalsContact O-CG1 3.3Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.42Å; L1263-I1267 PolarHBondContact O-N 2.9Å
1264A95Very high92.4Very high7 Ų734.8 Ų34.86%0.05819%0.193CC..Hα-helixtrans-59.7-49.3174.100000111.9V813 I1260 C1261 F1266 I1267 V1268V813-A1264 HydrophobicContact CG1-CB 4.02Å; I1260-A1264 PolarHBondContact O-N 2.61Å; C1261-A1264 WeakPolarHBondContact O-CB 3.43Å; C1261-A1264 PolarHBondContact O-N 2.96Å; A1264-F1266 VanDerWaalsContact C-N 3.32Å; A1264-F1266 PolarHBondContact O-N 3.36Å; A1264-I1267 PolarHBondContact O-N 3.01Å; A1264-V1268 WeakPolarHBondContact O-CG2 3.07Å; A1264-V1268 PolarHBondContact O-N 3.23Å
1265I95.5Very high92.2Very high0 Ų039.4 Ų39.40%021%0.212CC..Hα-helixtrans-60.1-43.2176.8-63.7164.4000110.4A814 C1261 L1262 V1268 T1269 I1284 V1287 L1317 V1321A814-I1265 HydrophobicContact CB-CD1 4.38Å; A814-I1265 HydrophobicContact CB-CG1 4.12Å; C1261-I1265 WeakPolarHBondContact O-CG1 3.29Å; C1261-I1265 PolarHBondContact O-N 3.1Å; L1262-I1265 PolarHBondContact O-N 3.13Å; I1265-V1268 PolarHBondContact O-N 3.28Å; I1265-T1269 HydrophobicContact CG2-CG2 4.19Å; I1265-T1269 WeakPolarHBondContact O-CB 3.32Å; I1265-T1269 WeakPolarHBondContact O-CG2 3.46Å; I1265-T1269 PolarHBondContact O-N 2.74Å; I1265-T1269 PolarHBondContact O-OG1 3.28Å; I1265-I1284 HydrophobicContact CB-CD1 4.15Å; I1265-I1284 HydrophobicContact CG2-CD1 3.75Å; I1265-V1287 HydrophobicContact CD1-CG1 4.49Å; I1265-L1317 HydrophobicContact CD1-CB 4.26Å; I1265-V1321 HydrophobicContact CD1-CG2 3.83Å; I1265-V1321 HydrophobicContact CG1-CG2 4.1Å; I1265-V1321 HydrophobicContact CG2-CG2 3.8Å
1266F95.9Very high91.9Very high57 Ų5738.6 Ų38.625%0.2520%0.2CC..Hα-helixtrans-60.3-46176.9174.9-93.6000112L1262 L1263 A1264 T1269 L1270 L1277 T1280 I1284L1262-F1266 WeakPolarHBondContact O-CB 2.99Å; L1262-F1266 PolarHBondContact O-N 2.87Å; L1263-F1266 PolarHBondContact O-N 2.04Å; A1264-F1266 VanDerWaalsContact C-N 3.32Å; A1264-F1266 PolarHBondContact O-N 3.36Å; F1266-T1269 PolarHBondContact O-OG1 3.41Å; F1266-L1270 HydrophobicContact CE1-CD2 4.02Å; F1266-L1270 HydrophobicContact CZ-CD2 4.19Å; F1266-L1270 WeakPolarHBondContact O-CB 3.14Å; F1266-L1270 PolarHBondContact O-N 3.07Å; F1266-L1277 HydrophobicContact CZ-CD2 4.28Å; F1266-T1280 HydrophobicContact CD2-CG2 3.5Å; F1266-T1280 VanDerWaalsContact CD2-CG2 3.5Å; F1266-T1280 HydrophobicContact CE2-CG2 3.62Å; F1266-T1280 HydrophobicContact CG-CG2 4.27Å; F1266-T1280 HydrophobicContact CZ-CG2 4.46Å; F1266-I1284 HydrophobicContact CB-CD1 4.07Å; F1266-I1284 HydrophobicContact CB-CG1 4.19Å; F1266-I1284 HydrophobicContact CD2-CG1 4.14Å
1267I95.4Very high91.8Very high83 Ų8337.7 Ų37.743%0.42620%0.2SC..Hα-helixtrans-64.5-47-180-69.1166000111.2L1263 A1264 L1270 I1271L1263-I1267 HydrophobicContact CD1-CD1 4.01Å; L1263-I1267 HydrophobicContact CD1-CG1 4.28Å; L1263-I1267 HydrophobicContact CG-CD1 3.95Å; L1263-I1267 VanDerWaalsContact O-CG1 3.3Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.42Å; L1263-I1267 PolarHBondContact O-N 2.9Å; A1264-I1267 PolarHBondContact O-N 3.01Å; I1267-L1270 PolarHBondContact O-N 3.05Å; I1267-I1271 HydrophobicContact CG2-CD1 4.04Å; I1267-I1271 WeakPolarHBondContact O-CG1 3.09Å; I1267-I1271 PolarHBondContact O-N 2.89Å
1268V94.6Very high91.8Very high13 Ų1340.5 Ų40.58%0.07922%0.217CC..Hα-helixtrans-65.5-47-179.61770000111L806 L809 V813 A1264 I1265 L1270 I1271 F1272L806-V1268 HydrophobicContact CD1-CG1 4.16Å; L809-V1268 HydrophobicContact CB-CG1 4.41Å; L809-V1268 HydrophobicContact CD2-CG1 4.1Å; L809-V1268 HydrophobicContact CG-CG1 4.17Å; V813-V1268 HydrophobicContact CB-CG2 4.41Å; V813-V1268 HydrophobicContact CG2-CG2 4.44Å; A1264-V1268 WeakPolarHBondContact O-CG2 3.07Å; A1264-V1268 PolarHBondContact O-N 3.23Å; I1265-V1268 PolarHBondContact O-N 3.28Å; V1268-L1270 PolarHBondContact O-N 3.23Å; V1268-I1271 PolarHBondContact O-N 2.61Å; V1268-F1272 HydrophobicContact CG1-CD2 4.14Å; V1268-F1272 HydrophobicContact CG1-CE2 4.3Å; V1268-F1272 WeakPolarHBondContact O-CD2 3.45Å; V1268-F1272 PolarHBondContact O-N 3.16Å; V1268-F1272 VanDerWaalsContact O-N 3.09Å
1269T92.9Very high91.7Very high0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-64.6-38.4178.752.70000112.5L806 I1265 F1266 I1271 F1272 F1273 V1283L806-T1269 HydrophobicContact CD1-CG2 4.01Å; I1265-T1269 HydrophobicContact CG2-CG2 4.19Å; I1265-T1269 WeakPolarHBondContact O-CB 3.32Å; I1265-T1269 WeakPolarHBondContact O-CG2 3.46Å; I1265-T1269 PolarHBondContact O-N 2.74Å; I1265-T1269 PolarHBondContact O-OG1 3.28Å; F1266-T1269 PolarHBondContact O-OG1 3.41Å; T1269-I1271 VanDerWaalsContact C-N 3.34Å; T1269-I1271 PolarHBondContact O-N 2.8Å; T1269-F1272 PolarHBondContact O-N 2.64Å; T1269-F1273 HydrophobicContact CG2-CE2 4.34Å; T1269-F1273 WeakPolarHBondContact O-CB 3.39Å; T1269-F1273 WeakPolarHBondContact O-CD2 3.33Å; T1269-F1273 PolarHBondContact O-N 3.44Å; T1269-V1283 HydrophobicContact CG2-CG1 4.18Å
1270L92.6Very high91.7Very high26 Ų2637.2 Ų37.214%0.13619%0.191CC..Hα-helixtrans-60.5-41.6176-174.765.8000112.6F1266 I1267 V1268 G1274 F1275 L1277 T1280F1266-L1270 HydrophobicContact CE1-CD2 4.02Å; F1266-L1270 HydrophobicContact CZ-CD2 4.19Å; F1266-L1270 WeakPolarHBondContact O-CB 3.14Å; F1266-L1270 PolarHBondContact O-N 3.07Å; I1267-L1270 PolarHBondContact O-N 3.05Å; V1268-L1270 PolarHBondContact O-N 3.23Å; L1270-G1274 PolarHBondContact O-N 3.3Å; L1270-F1275 HydrophobicContact CD1-CB 4.49Å; L1270-F1275 HydrophobicContact CD1-CD1 4.33Å; L1270-F1275 HydrophobicContact CD2-CD1 4.02Å; L1270-F1275 HydrophobicContact CD2-CE1 4.34Å; L1270-F1275 HydrophobicContact CG-CD1 3.83Å; L1270-F1275 HydrophobicContact CG-CE1 4.36Å; L1270-F1275 WeakPolarHBondContact O-CA 3.43Å; L1270-F1275 PolarHBondContact O-N 2.68Å; L1270-L1277 HydrophobicContact CD1-CD2 3.69Å; L1270-L1277 HydrophobicContact CD1-CG 4.16Å; L1270-T1280 WeakPolarHBondContact CA-OG1 3.43Å; L1270-T1280 HydrophobicContact CB-CG2 3.94Å; L1270-T1280 HydrophobicContact CD1-CG2 4.25Å; L1270-T1280 WeakPolarHBondContact CD1-OG1 3.4Å
1271I91.1Very high91.8Very high73 Ų7340.1 Ų40.137%0.37421%0.206SC..Hα-helixtrans-65.7-47.6176.9-68.1165.2000110.2F338 I1267 V1268 T1269 G1274F338-I1271 HydrophobicContact CZ-CG2 4.34Å; I1267-I1271 HydrophobicContact CG2-CD1 4.04Å; I1267-I1271 WeakPolarHBondContact O-CG1 3.09Å; I1267-I1271 PolarHBondContact O-N 2.89Å; V1268-I1271 PolarHBondContact O-N 2.61Å; T1269-I1271 VanDerWaalsContact C-N 3.34Å; T1269-I1271 PolarHBondContact O-N 2.8Å; I1271-G1274 WeakPolarHBondContact O-CA 3.28Å; I1271-G1274 PolarHBondContact O-N 2.91Å
1272F90.3Very high91.8Very high33 Ų3340.9 Ų40.915%0.14521%0.21CC..Hα-helixtrans-72-31-175.5-86.1-108.2000114.3L342 L805 L806 L809 V1268 T1269 G1274L342-F1272 HydrophobicContact CD1-CD1 4.03Å; L342-F1272 HydrophobicContact CD1-CE1 3.94Å; L805-F1272 HydrophobicContact CB-CE1 4.32Å; L805-F1272 HydrophobicContact CD2-CE1 3.87Å; L805-F1272 HydrophobicContact CD2-CZ 3.76Å; L805-F1272 HydrophobicContact CG-CE1 3.89Å; L805-F1272 HydrophobicContact CG-CZ 3.77Å; L806-F1272 HydrophobicContact CB-CB 4.47Å; L806-F1272 HydrophobicContact CB-CD1 3.72Å; L806-F1272 HydrophobicContact CB-CE1 4.19Å; L806-F1272 HydrophobicContact CB-CG 4.16Å; L806-F1272 HydrophobicContact CD1-CB 3.64Å; L806-F1272 HydrophobicContact CD1-CD1 4.29Å; L806-F1272 HydrophobicContact CD1-CD2 4.3Å; L806-F1272 HydrophobicContact CD1-CG 3.83Å; L806-F1272 HydrophobicContact CD2-CB 4.16Å; L806-F1272 HydrophobicContact CG-CB 4.3Å; L806-F1272 HydrophobicContact CG-CD1 4.45Å; L806-F1272 HydrophobicContact CG-CG 4.44Å; L809-F1272 HydrophobicContact CD2-CE2 3.83Å; L809-F1272 HydrophobicContact CD2-CZ 4.12Å; V1268-F1272 HydrophobicContact CG1-CD2 4.14Å; V1268-F1272 HydrophobicContact CG1-CE2 4.3Å; V1268-F1272 WeakPolarHBondContact O-CD2 3.45Å; V1268-F1272 PolarHBondContact O-N 3.16Å; V1268-F1272 VanDerWaalsContact O-N 3.09Å; T1269-F1272 PolarHBondContact O-N 2.64Å; F1272-G1274 PolarHBondContact O-N 2.91Å
1273F87.6Confident91.8Very high8 Ų838.9 Ų38.94%0.03520%0.199CC..THydrogen-bonded Turntrans-80.512.5168.1-61.6-53.6000113.1T335 L806 T1269 F1275 D1276 A1279 V1283 V1328 R1329T335-F1273 WeakPolarHBondContact CG2-O 3.37Å; L806-F1273 HydrophobicContact CD2-CE1 4.33Å; L806-F1273 HydrophobicContact CD2-CZ 4.17Å; T1269-F1273 HydrophobicContact CG2-CE2 4.34Å; T1269-F1273 WeakPolarHBondContact O-CB 3.39Å; T1269-F1273 WeakPolarHBondContact O-CD2 3.33Å; T1269-F1273 PolarHBondContact O-N 3.44Å; F1273-F1275 VanDerWaalsContact C-N 3.32Å; F1273-F1275 PolarHBondContact O-N 3.14Å; F1273-D1276 HydrophobicContact CB-CB 4.22Å; F1273-D1276 WeakPolarHBondContact O-CB 3.35Å; F1273-D1276 PolarHBondContact O-N 2.03Å; F1273-D1276 VanDerWaalsContact O-N 3.09Å; F1273-A1279 HydrophobicContact CB-CB 4.03Å; F1273-A1279 HydrophobicContact CD1-CB 4.14Å; F1273-A1279 HydrophobicContact CD2-CB 3.9Å; F1273-A1279 HydrophobicContact CE2-CB 4.4Å; F1273-A1279 HydrophobicContact CG-CB 3.77Å; F1273-V1283 HydrophobicContact CE2-CG2 3.73Å; F1273-V1283 HydrophobicContact CZ-CG2 3.94Å; F1273-V1328 HydrophobicContact CE1-CG1 4.04Å; F1273-V1328 HydrophobicContact CE2-CG1 4.21Å; F1273-V1328 HydrophobicContact CZ-CB 4.11Å; F1273-V1328 HydrophobicContact CZ-CG1 3.72Å; F1273-R1329 HydrophobicContact CE1-CB 4.06Å
1274G82.4Confident91.8Very high4 Ų435.6 Ų35.64%0.04118%0.182CC..THydrogen-bonded Turntrans59.640.5174.800000113.3T335 L1270 I1271 F1272 D1276T335-G1274 PolarHBondContact OG1-O 2.87Å; T335-G1274 VanDerWaalsContact OG1-O 3.08Å; L1270-G1274 PolarHBondContact O-N 3.3Å; I1271-G1274 WeakPolarHBondContact O-CA 3.28Å; I1271-G1274 PolarHBondContact O-N 2.91Å; F1272-G1274 PolarHBondContact O-N 2.91Å; G1274-D1276 VanDerWaalsContact C-N 3.32Å; G1274-D1276 PolarHBondContact O-N 3.37Å
1275F84.6Confident91.8Very high103 Ų10338.2 Ų38.245%0.45219%0.192SC..THydrogen-bonded Turntrans65.421.1-174.9-57.5-88000115.9L331 L1270 F1273 L1277L331-F1275 HydrophobicContact CD2-CB 3.73Å; L1270-F1275 HydrophobicContact CD1-CB 4.49Å; L1270-F1275 HydrophobicContact CD1-CD1 4.33Å; L1270-F1275 HydrophobicContact CD2-CD1 4.02Å; L1270-F1275 HydrophobicContact CD2-CE1 4.34Å; L1270-F1275 HydrophobicContact CG-CD1 3.83Å; L1270-F1275 HydrophobicContact CG-CE1 4.36Å; L1270-F1275 WeakPolarHBondContact O-CA 3.43Å; L1270-F1275 PolarHBondContact O-N 2.68Å; F1273-F1275 VanDerWaalsContact C-N 3.32Å; F1273-F1275 PolarHBondContact O-N 3.14Å; F1275-L1277 PolarHBondContact O-N 3.12Å
1276D85.3Confident91.8Very high40 Ų4038.2 Ų38.221%0.21419%0.192CC..  trans-7094.5163.7-172.7-19.1000110.5F1273 G1274 V1278 A1279 T1280 P1409F1273-D1276 HydrophobicContact CB-CB 4.22Å; F1273-D1276 WeakPolarHBondContact O-CB 3.35Å; F1273-D1276 PolarHBondContact O-N 2.03Å; F1273-D1276 VanDerWaalsContact O-N 3.09Å; G1274-D1276 VanDerWaalsContact C-N 3.32Å; G1274-D1276 PolarHBondContact O-N 3.37Å; D1276-V1278 PolarHBondContact O-N 2.8Å; D1276-V1278 WeakPolarHBondContact OD1-CA 3.42Å; D1276-V1278 WeakPolarHBondContact OD1-CB 3.45Å; D1276-V1278 PolarHBondContact OD1-N 3.18Å; D1276-A1279 HydrophobicContact CB-CB 3.97Å; D1276-A1279 PolarHBondContact O-N 2.75Å; D1276-A1279 PolarHBondContact OD1-N 3.42Å; D1276-T1280 WeakPolarHBondContact O-CB 3.23Å; D1276-T1280 PolarHBondContact O-N 3.06Å; D1276-T1280 PolarHBondContact O-OG1 3.48Å; D1276-P1409 WeakPolarHBondContact OD2-CB 3.48Å
1277L89.2Confident91.8Very high99 Ų9935.5 Ų35.552%0.51818%0.18SC..Hα-helixtrans-58.8-29.5175.6-72.9165.2000113F1266 L1270 F1275 L1281F1266-L1277 HydrophobicContact CZ-CD2 4.28Å; L1270-L1277 HydrophobicContact CD1-CD2 3.69Å; L1270-L1277 HydrophobicContact CD1-CG 4.16Å; F1275-L1277 PolarHBondContact O-N 3.12Å; L1277-L1281 VanDerWaalsContact O-CB 3.27Å; L1277-L1281 WeakPolarHBondContact O-CB 3.44Å; L1277-L1281 WeakPolarHBondContact O-CD1 3.02Å; L1277-L1281 WeakPolarHBondContact O-CG 3.04Å; L1277-L1281 PolarHBondContact O-N 3.1Å
1278V90.5Very high91.9Very high60 Ų6033.8 Ų33.836%0.36417%0.174SC..Hα-helixtrans-75.6-44.3-179.2-1730000110.1D1276 T1280 L1281 M1282 L1407 P1409D1276-V1278 PolarHBondContact O-N 2.8Å; D1276-V1278 WeakPolarHBondContact OD1-CA 3.42Å; D1276-V1278 WeakPolarHBondContact OD1-CB 3.45Å; D1276-V1278 PolarHBondContact OD1-N 3.18Å; V1278-T1280 VanDerWaalsContact C-N 3.34Å; V1278-L1281 PolarHBondContact O-N 3.19Å; V1278-M1282 WeakPolarHBondContact O-CG 3.28Å; V1278-M1282 PolarHBondContact O-N 2.62Å; V1278-L1407 WeakPolarHBondContact CG1-O 3.29Å; V1278-P1409 HydrophobicContact CB-CB 4.28Å; V1278-P1409 HydrophobicContact CG1-CB 4.45Å
1279A91.1Very high91.9Very high0 Ų033.6 Ų33.60%017%0.172CC..Hα-helixtrans-58.3-47.7171.900000111.4F1273 D1276 L1281 M1282 V1283 V1328 T1332 P1409F1273-A1279 HydrophobicContact CB-CB 4.03Å; F1273-A1279 HydrophobicContact CD1-CB 4.14Å; F1273-A1279 HydrophobicContact CD2-CB 3.9Å; F1273-A1279 HydrophobicContact CE2-CB 4.4Å; F1273-A1279 HydrophobicContact CG-CB 3.77Å; D1276-A1279 HydrophobicContact CB-CB 3.97Å; D1276-A1279 PolarHBondContact O-N 2.75Å; D1276-A1279 PolarHBondContact OD1-N 3.42Å; A1279-L1281 PolarHBondContact O-N 3.34Å; A1279-M1282 PolarHBondContact O-N 3.06Å; A1279-V1283 PolarHBondContact O-N 2.92Å; A1279-V1328 HydrophobicContact CB-CG1 3.85Å; A1279-T1332 HydrophobicContact CB-CG2 3.82Å; A1279-P1409 HydrophobicContact CB-CG 4.29Å
1280T93.7Very high92.1Very high0 Ų033.6 Ų33.60%017%0.172CC..Hα-helixtrans-57.2-49.8178.2-52.40000111.8F1266 L1270 D1276 V1278 M1282 V1283 I1284F1266-T1280 HydrophobicContact CD2-CG2 3.5Å; F1266-T1280 VanDerWaalsContact CD2-CG2 3.5Å; F1266-T1280 HydrophobicContact CE2-CG2 3.62Å; F1266-T1280 HydrophobicContact CG-CG2 4.27Å; F1266-T1280 HydrophobicContact CZ-CG2 4.46Å; L1270-T1280 WeakPolarHBondContact CA-OG1 3.43Å; L1270-T1280 HydrophobicContact CB-CG2 3.94Å; L1270-T1280 HydrophobicContact CD1-CG2 4.25Å; L1270-T1280 WeakPolarHBondContact CD1-OG1 3.4Å; D1276-T1280 WeakPolarHBondContact O-CB 3.23Å; D1276-T1280 PolarHBondContact O-N 3.06Å; D1276-T1280 PolarHBondContact O-OG1 3.48Å; V1278-T1280 VanDerWaalsContact C-N 3.34Å; T1280-M1282 VanDerWaalsContact C-N 3.29Å; T1280-M1282 PolarHBondContact O-N 2.77Å; T1280-V1283 PolarHBondContact O-N 3.17Å; T1280-I1284 PolarHBondContact O-N 3.48Å; T1280-I1284 VanDerWaalsContact O-N 3.07Å
1281L95Very high92.2Very high97 Ų9733 Ų3351%0.50817%0.169SC..Hα-helixtrans-67.2-26.6179.5-72.7169.2000113.1L1277 V1278 A1279 F1285L1277-L1281 VanDerWaalsContact O-CB 3.27Å; L1277-L1281 WeakPolarHBondContact O-CB 3.44Å; L1277-L1281 WeakPolarHBondContact O-CD1 3.02Å; L1277-L1281 WeakPolarHBondContact O-CG 3.04Å; L1277-L1281 PolarHBondContact O-N 3.1Å; V1278-L1281 PolarHBondContact O-N 3.19Å; A1279-L1281 PolarHBondContact O-N 3.34Å; L1281-F1285 WeakPolarHBondContact O-CB 3.5Å; L1281-F1285 PolarHBondContact O-N 3.24Å
1282M94.9Very high92.4Very high17 Ų1731.5 Ų31.58%0.08416%0.161CC..Hα-helixtrans-70.2-38.3173.6-69.1-72.4136.200112.2V1278 A1279 T1280 G1286 V1328 L1400 L1404 L1407V1278-M1282 WeakPolarHBondContact O-CG 3.28Å; V1278-M1282 PolarHBondContact O-N 2.62Å; A1279-M1282 PolarHBondContact O-N 3.06Å; T1280-M1282 VanDerWaalsContact C-N 3.29Å; T1280-M1282 PolarHBondContact O-N 2.77Å; M1282-G1286 PolarHBondContact O-N 2.99Å; M1282-G1286 VanDerWaalsContact O-N 3.11Å; M1282-V1328 HydrophobicContact CB-CG2 4.13Å; M1282-L1400 HydrophobicContact CB-CD1 4.32Å; M1282-L1404 HydrophobicContact CB-CD2 4.07Å; M1282-L1404 HydrophobicContact CG-CD2 3.82Å; M1282-L1404 HydrophobicContact SD-CD2 4.23Å; M1282-L1407 HydrophobicContact CE-CB 3.5Å; M1282-L1407 VanDerWaalsContact CE-CB 3.5Å; M1282-L1407 HydrophobicContact CE-CD1 4.17Å; M1282-L1407 HydrophobicContact CE-CG 4.5Å; M1282-L1407 HydrophobicContact SD-CB 4.45Å
1283V95.2Very high92.6Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-66.4-48.2173.1177.40000110.6T1269 F1273 A1279 T1280 F1285 G1286 V1287 V1321 C1324 V1328T1269-V1283 HydrophobicContact CG2-CG1 4.18Å; F1273-V1283 HydrophobicContact CE2-CG2 3.73Å; F1273-V1283 HydrophobicContact CZ-CG2 3.94Å; A1279-V1283 PolarHBondContact O-N 2.92Å; T1280-V1283 PolarHBondContact O-N 3.17Å; V1283-F1285 VanDerWaalsContact C-N 3.32Å; V1283-F1285 PolarHBondContact O-N 3.28Å; V1283-G1286 PolarHBondContact O-N 3.38Å; V1283-G1286 VanDerWaalsContact O-N 3.16Å; V1283-V1287 HydrophobicContact CG1-CG2 4.23Å; V1283-V1287 WeakPolarHBondContact O-CG2 3.45Å; V1283-V1287 PolarHBondContact O-N 3.3Å; V1283-V1321 HydrophobicContact CG1-CG1 4.48Å; V1283-C1324 HydrophobicContact CG1-CB 4.17Å; V1283-V1328 HydrophobicContact CG2-CB 3.79Å; V1283-V1328 HydrophobicContact CG2-CG1 4.08Å; V1283-V1328 HydrophobicContact CG2-CG2 3.64Å
1284I95.9Very high93Very high27 Ų2729.7 Ų29.714%0.13815%0.153CC..Hα-helixtrans-62.8-37.8178-64.4-59.1000112I1265 F1266 T1280 V1287 V1288I1265-I1284 HydrophobicContact CB-CD1 4.15Å; I1265-I1284 HydrophobicContact CG2-CD1 3.75Å; F1266-I1284 HydrophobicContact CB-CD1 4.07Å; F1266-I1284 HydrophobicContact CB-CG1 4.19Å; F1266-I1284 HydrophobicContact CD2-CG1 4.14Å; T1280-I1284 PolarHBondContact O-N 3.48Å; T1280-I1284 VanDerWaalsContact O-N 3.07Å; I1284-V1287 PolarHBondContact O-N 2.9Å; I1284-V1288 HydrophobicContact CG2-CG2 4.06Å; I1284-V1288 WeakPolarHBondContact O-CB 3.44Å; I1284-V1288 VanDerWaalsContact O-CG2 3.27Å; I1284-V1288 WeakPolarHBondContact O-CG2 3.48Å; I1284-V1288 PolarHBondContact O-N 3.4Å
1285F95.4Very high93.5Very high62 Ų6230 Ų3027%0.27216%0.156SC..Hα-helixtrans-58.1-48.3172.3169-103.5000111.8L1281 V1283 Y1289 I1399 Y1403L1281-F1285 WeakPolarHBondContact O-CB 3.5Å; L1281-F1285 PolarHBondContact O-N 3.24Å; V1283-F1285 VanDerWaalsContact C-N 3.32Å; V1283-F1285 PolarHBondContact O-N 3.28Å; F1285-Y1289 HydrophobicContact CE2-CD2 4.45Å; F1285-Y1289 HydrophobicContact CZ-CD2 4.19Å; F1285-Y1289 VanDerWaalsContact O-CB 3.22Å; F1285-Y1289 WeakPolarHBondContact O-CB 3.45Å; F1285-Y1289 PolarHBondContact O-N 3.18Å; F1285-I1399 HydrophobicContact CE1-CG2 4.48Å; F1285-Y1403 HydrophobicContact CD1-CD1 4.34Å; F1285-Y1403 AromaticContact CE1-CD1 3.56Å; F1285-Y1403 HydrophobicContact CE1-CD1 3.56Å; F1285-Y1403 HydrophobicContact CE1-CD2 4.03Å; F1285-Y1403 AromaticContact CE1-CE1 3.85Å; F1285-Y1403 HydrophobicContact CE1-CE1 3.85Å; F1285-Y1403 HydrophobicContact CE1-CE2 4.28Å; F1285-Y1403 AromaticContact CE1-CG 3.66Å; F1285-Y1403 HydrophobicContact CE1-CG 3.66Å; F1285-Y1403 HydrophobicContact CE2-CD1 4.43Å; F1285-Y1403 HydrophobicContact CE2-CE1 4.06Å; F1285-Y1403 AromaticContact CZ-CD1 3.63Å; F1285-Y1403 HydrophobicContact CZ-CD1 3.63Å; F1285-Y1403 HydrophobicContact CZ-CD2 4.27Å; F1285-Y1403 AromaticContact CZ-CE1 3.39Å; F1285-Y1403 HydrophobicContact CZ-CE1 3.39Å; F1285-Y1403 HydrophobicContact CZ-CE2 4.06Å; F1285-Y1403 HydrophobicContact CZ-CG 4.07Å; F1285-Y1403 AromaticContact CZ-CZ 3.61Å
1286G95.4Very high94Very high0 Ų025.1 Ų25.10%013%0.134CC..Hα-helixtrans-60.7-48.5177.100000112.7M1282 V1283 Y1289 I1290M1282-G1286 PolarHBondContact O-N 2.99Å; M1282-G1286 VanDerWaalsContact O-N 3.11Å; V1283-G1286 PolarHBondContact O-N 3.38Å; V1283-G1286 VanDerWaalsContact O-N 3.16Å; G1286-Y1289 PolarHBondContact O-N 3.12Å; G1286-I1290 WeakPolarHBondContact O-CD1 3.34Å; G1286-I1290 VanDerWaalsContact O-CG1 3.3Å; G1286-I1290 WeakPolarHBondContact O-CG1 3.15Å; G1286-I1290 PolarHBondContact O-N 3.4Å
1287V96Very high94.4Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-60.5-47.1178.81730000111.8L1262 I1265 V1283 I1284 I1290 V1291 L1317 V1321L1262-V1287 HydrophobicContact CD2-CG1 3.84Å; I1265-V1287 HydrophobicContact CD1-CG1 4.49Å; V1283-V1287 HydrophobicContact CG1-CG2 4.23Å; V1283-V1287 WeakPolarHBondContact O-CG2 3.45Å; V1283-V1287 PolarHBondContact O-N 3.3Å; I1284-V1287 PolarHBondContact O-N 2.9Å; V1287-I1290 PolarHBondContact O-N 3.05Å; V1287-V1291 WeakPolarHBondContact O-CG2 3.19Å; V1287-V1291 PolarHBondContact O-N 2.91Å; V1287-L1317 HydrophobicContact CG1-CD2 3.5Å; V1287-L1317 VanDerWaalsContact CG1-CD2 3.5Å; V1287-V1321 HydrophobicContact CG2-CG2 4.18Å
1288V95.6Very high94.6Very high48 Ų4819.2 Ų19.229%0.29110%0.103SC..Hα-helixtrans-66.1-38.6177.81710000111.4L1262 I1284 I1290 V1291 I1292L1262-V1288 HydrophobicContact CD1-CG2 4.04Å; L1262-V1288 HydrophobicContact CD2-CG2 3.75Å; I1284-V1288 HydrophobicContact CG2-CG2 4.06Å; I1284-V1288 WeakPolarHBondContact O-CB 3.44Å; I1284-V1288 VanDerWaalsContact O-CG2 3.27Å; I1284-V1288 WeakPolarHBondContact O-CG2 3.48Å; I1284-V1288 PolarHBondContact O-N 3.4Å; V1288-I1290 PolarHBondContact O-N 3.13Å; V1288-V1291 PolarHBondContact O-N 2.04Å; V1288-I1292 HydrophobicContact CG1-CD1 3.62Å; V1288-I1292 HydrophobicContact CG1-CG1 4.24Å; V1288-I1292 WeakPolarHBondContact O-CB 3.4Å; V1288-I1292 WeakPolarHBondContact O-CG1 3.01Å; V1288-I1292 PolarHBondContact O-N 3.28Å
1289Y96.1Very high94.7Very high9 Ų917.7 Ų17.74%0.0359%0.094CC..Hα-helixtrans-61.4-43.1176-171.3-78.2000111.7S986 W989 I990 F1285 G1286 S1293 T1395 I1399S986-Y1289 WeakPolarHBondContact CA-OH 3.42Å; S986-Y1289 WeakPolarHBondContact CB-OH 3.41Å; S986-Y1289 PolarHBondContact O-OH 2.03Å; W989-Y1289 AromaticContact CD1-CZ 3.88Å; I990-Y1289 HydrophobicContact CB-CD2 4.29Å; I990-Y1289 HydrophobicContact CB-CE2 3.88Å; I990-Y1289 HydrophobicContact CD1-CD2 3.75Å; I990-Y1289 HydrophobicContact CD1-CE2 4.01Å; I990-Y1289 HydrophobicContact CD1-CG 4.19Å; I990-Y1289 HydrophobicContact CG1-CD2 4.11Å; I990-Y1289 HydrophobicContact CG1-CE2 4.21Å; F1285-Y1289 HydrophobicContact CE2-CD2 4.45Å; F1285-Y1289 HydrophobicContact CZ-CD2 4.19Å; F1285-Y1289 VanDerWaalsContact O-CB 3.22Å; F1285-Y1289 WeakPolarHBondContact O-CB 3.45Å; F1285-Y1289 PolarHBondContact O-N 3.18Å; G1286-Y1289 PolarHBondContact O-N 3.12Å; Y1289-S1293 VanDerWaalsContact O-CB 3.3Å; Y1289-S1293 WeakPolarHBondContact O-CB 3.24Å; Y1289-S1293 PolarHBondContact O-N 2.85Å; Y1289-S1293 PolarHBondContact O-OG 3.09Å; Y1289-T1395 HydrophobicContact CD1-CG2 4.07Å; Y1289-T1395 WeakPolarHBondContact CD1-OG1 3.4Å; Y1289-T1395 HydrophobicContact CG-CG2 4.47Å; Y1289-I1399 HydrophobicContact CD1-CD1 4.13Å; Y1289-I1399 HydrophobicContact CE1-CD1 3.37Å; Y1289-I1399 HydrophobicContact CE2-CD1 4.41Å
1290I96.1Very high94.8Very high0 Ų021.7 Ų21.70%012%0.115CC..Hα-helixtrans-65-48.9176.4-63.5157.5000110.4G1286 V1287 V1288 I1292 S1293 V1294 S1320 F1391 T1395G1286-I1290 WeakPolarHBondContact O-CD1 3.34Å; G1286-I1290 VanDerWaalsContact O-CG1 3.3Å; G1286-I1290 WeakPolarHBondContact O-CG1 3.15Å; G1286-I1290 PolarHBondContact O-N 3.4Å; V1287-I1290 PolarHBondContact O-N 3.05Å; V1288-I1290 PolarHBondContact O-N 3.13Å; I1290-I1292 PolarHBondContact O-N 3.36Å; I1290-S1293 WeakPolarHBondContact O-CB 3.42Å; I1290-S1293 PolarHBondContact O-N 2.66Å; I1290-S1293 VanDerWaalsContact O-N 3.13Å; I1290-V1294 HydrophobicContact CG2-CG2 4.25Å; I1290-V1294 WeakPolarHBondContact O-CG2 3.08Å; I1290-V1294 PolarHBondContact O-N 2.62Å; I1290-S1320 WeakPolarHBondContact CB-OG 3.36Å; I1290-S1320 WeakPolarHBondContact CD1-OG 3.46Å; I1290-S1320 VanDerWaalsContact CG2-OG 3.27Å; I1290-S1320 WeakPolarHBondContact CG2-OG 3.33Å; I1290-F1391 HydrophobicContact CG2-CB 4.39Å; I1290-T1395 HydrophobicContact CD1-CG2 4.22Å; I1290-T1395 HydrophobicContact CG1-CG2 3.99Å; I1290-T1395 WeakPolarHBondContact CG1-OG1 3.48Å
1291V95.1Very high94.7Very high13 Ų1326.7 Ų26.78%0.07913%0.134CC..Hα-helixtrans-64.3-40.8-177.7171.90000112.6V1287 V1288 S1293 V1294 S1295 L1313 A1316 L1317V1287-V1291 WeakPolarHBondContact O-CG2 3.19Å; V1287-V1291 PolarHBondContact O-N 2.91Å; V1288-V1291 PolarHBondContact O-N 2.04Å; V1291-S1293 VanDerWaalsContact C-N 3.31Å; V1291-S1293 PolarHBondContact O-N 2.75Å; V1291-V1294 PolarHBondContact O-N 2.88Å; V1291-S1295 WeakPolarHBondContact O-CB 3.47Å; V1291-S1295 PolarHBondContact O-N 3.09Å; V1291-S1295 PolarHBondContact O-OG 3.18Å; V1291-L1313 HydrophobicContact CG1-CD2 4.46Å; V1291-A1316 HydrophobicContact CG2-CB 4.32Å; V1291-L1317 HydrophobicContact CG2-CD2 3.65Å; V1291-L1317 HydrophobicContact CG2-CG 3.92Å
1292I94.9Very high94.5Very high42 Ų4227 Ų2722%0.21514%0.144CC..Hα-helixtrans-65.1-39174.6-67.9172.9000110.2I990 A993 L997 V1288 I1290 S1295 A1296I990-I1292 HydrophobicContact CD1-CB 3.82Å; I990-I1292 HydrophobicContact CD1-CD1 4.3Å; I990-I1292 HydrophobicContact CD1-CG2 3.57Å; I990-I1292 HydrophobicContact CG1-CG2 4.47Å; A993-I1292 HydrophobicContact CB-CG2 3.86Å; L997-I1292 HydrophobicContact CD1-CG2 4.46Å; V1288-I1292 HydrophobicContact CG1-CD1 3.62Å; V1288-I1292 HydrophobicContact CG1-CG1 4.24Å; V1288-I1292 WeakPolarHBondContact O-CB 3.4Å; V1288-I1292 WeakPolarHBondContact O-CG1 3.01Å; V1288-I1292 PolarHBondContact O-N 3.28Å; I1290-I1292 PolarHBondContact O-N 3.36Å; I1292-S1295 PolarHBondContact O-N 2.85Å; I1292-A1296 WeakPolarHBondContact O-CB 3.27Å; I1292-A1296 PolarHBondContact O-N 2.91Å
1293S95.8Very high94.2Very high0 Ų026.5 Ų26.50%014%0.142CC..Hα-helixtrans-65.1-44.5176.8-60.30000112.7W989 Y1289 I1290 V1291 A1296 V1297 F1391W989-S1293 PolarHBondContact NE1-OG 3.18Å; Y1289-S1293 VanDerWaalsContact O-CB 3.3Å; Y1289-S1293 WeakPolarHBondContact O-CB 3.24Å; Y1289-S1293 PolarHBondContact O-N 2.85Å; Y1289-S1293 PolarHBondContact O-OG 3.09Å; I1290-S1293 WeakPolarHBondContact O-CB 3.42Å; I1290-S1293 PolarHBondContact O-N 2.66Å; I1290-S1293 VanDerWaalsContact O-N 3.13Å; V1291-S1293 VanDerWaalsContact C-N 3.31Å; V1291-S1293 PolarHBondContact O-N 2.75Å; S1293-A1296 PolarHBondContact O-N 3.5Å; S1293-V1297 WeakPolarHBondContact O-CG2 3.17Å; S1293-V1297 PolarHBondContact O-N 3.4Å; S1293-F1391 VanDerWaalsContact CB-CD1 3.44Å
1294V95.1Very high94Very high2 Ų227.6 Ų27.61%0.01215%0.148CC..Hα-helixtrans-62.2-43.8174.5173.10000110.5I1290 V1291 A1296 V1297 M1298 L1313 M1384 M1388I1290-V1294 HydrophobicContact CG2-CG2 4.25Å; I1290-V1294 WeakPolarHBondContact O-CG2 3.08Å; I1290-V1294 PolarHBondContact O-N 2.62Å; V1291-V1294 PolarHBondContact O-N 2.88Å; V1294-A1296 VanDerWaalsContact C-N 3.32Å; V1294-A1296 PolarHBondContact O-N 2.93Å; V1294-V1297 PolarHBondContact O-N 2.87Å; V1294-M1298 WeakPolarHBondContact O-CG 3.4Å; V1294-M1298 PolarHBondContact O-N 3.28Å; V1294-L1313 HydrophobicContact CG1-CD2 3.98Å; V1294-M1384 HydrophobicContact CG1-CE 4.38Å; V1294-M1388 HydrophobicContact CG2-CB 4.28Å
1295S93.7Very high93.7Very high12 Ų1226.7 Ų26.78%0.08414%0.144CC..Hα-helixtrans-63.2-36.1176.7-54.80000112.5L997 V1291 I1292 M1298 V1299L997-S1295 VanDerWaalsContact CD2-C 3.44Å; L997-S1295 WeakPolarHBondContact CD2-O 3.04Å; V1291-S1295 WeakPolarHBondContact O-CB 3.47Å; V1291-S1295 PolarHBondContact O-N 3.09Å; V1291-S1295 PolarHBondContact O-OG 3.18Å; I1292-S1295 PolarHBondContact O-N 2.85Å; S1295-M1298 WeakPolarHBondContact O-CB 3.43Å; S1295-M1298 PolarHBondContact O-N 3.19Å; S1295-V1299 PolarHBondContact O-N 2.94Å
1296A94.2Very high93.4Very high0 Ų023.9 Ų23.90%013%0.132CC..Hα-helixtrans-70.5-38.3174.800000111.9A993 I996 L997 I1292 S1293 V1294 M1298 V1299 L1300A993-A1296 HydrophobicContact CB-CB 3.47Å; A993-A1296 VanDerWaalsContact CB-CB 3.47Å; I996-A1296 HydrophobicContact CD1-CB 4.06Å; I996-A1296 HydrophobicContact CG1-CB 4.38Å; L997-A1296 HydrophobicContact CD2-CB 4.35Å; I1292-A1296 WeakPolarHBondContact O-CB 3.27Å; I1292-A1296 PolarHBondContact O-N 2.91Å; S1293-A1296 PolarHBondContact O-N 3.5Å; V1294-A1296 VanDerWaalsContact C-N 3.32Å; V1294-A1296 PolarHBondContact O-N 2.93Å; A1296-M1298 VanDerWaalsContact C-N 3.26Å; A1296-M1298 PolarHBondContact O-N 3.46Å; A1296-V1299 PolarHBondContact O-N 3.49Å; A1296-L1300 WeakPolarHBondContact O-CG 3.03Å; A1296-L1300 PolarHBondContact O-N 3.47Å
1297V94.2Very high92.9Very high12 Ų1224 Ų247%0.07313%0.133CC..Hα-helixtrans-63.6-32.3171.3172.20000111.8W989 S1293 V1294 V1299 L1300 W1301 S1387 F1391W989-V1297 HydrophobicContact CZ2-CG2 4.41Å; S1293-V1297 WeakPolarHBondContact O-CG2 3.17Å; S1293-V1297 PolarHBondContact O-N 3.4Å; V1294-V1297 PolarHBondContact O-N 2.87Å; V1297-V1299 VanDerWaalsContact C-N 3.35Å; V1297-V1299 PolarHBondContact O-N 3.47Å; V1297-L1300 PolarHBondContact O-N 3.16Å; V1297-W1301 HydrophobicContact CG1-CD2 3.67Å; V1297-W1301 HydrophobicContact CG1-CE3 3.38Å; V1297-W1301 HydrophobicContact CG1-CG 4.23Å; V1297-W1301 HydrophobicContact CG1-CH2 4.4Å; V1297-W1301 HydrophobicContact CG1-CZ3 3.79Å; V1297-W1301 WeakPolarHBondContact O-CB 3.28Å; V1297-W1301 PolarHBondContact O-N 3.03Å; V1297-S1387 WeakPolarHBondContact CB-OG 3.07Å; V1297-F1391 HydrophobicContact CG2-CE2 3.71Å; V1297-F1391 HydrophobicContact CG2-CZ 4.33Å
1298M93.9Very high92.5Very high2 Ų224.3 Ų24.31%0.0113%0.134CC..Hα-helixtrans-57.9-47.1171-69.7171.158.300111.4L1001 V1294 S1295 A1296 S1302 I1303 L1305 L1313 M1384L1001-M1298 HydrophobicContact CD2-CB 4.34Å; L1001-M1298 HydrophobicContact CD2-CE 4.41Å; V1294-M1298 WeakPolarHBondContact O-CG 3.4Å; V1294-M1298 PolarHBondContact O-N 3.28Å; S1295-M1298 WeakPolarHBondContact O-CB 3.43Å; S1295-M1298 PolarHBondContact O-N 3.19Å; A1296-M1298 VanDerWaalsContact C-N 3.26Å; A1296-M1298 PolarHBondContact O-N 3.46Å; M1298-S1302 PolarHBondContact O-N 3.34Å; M1298-S1302 VanDerWaalsContact O-N 3.08Å; M1298-I1303 HydrophobicContact CB-CB 3.96Å; M1298-I1303 HydrophobicContact CE-CG2 4.46Å; M1298-I1303 HydrophobicContact CG-CB 4.09Å; M1298-I1303 HydrophobicContact CG-CD1 4.37Å; M1298-I1303 HydrophobicContact CG-CG2 4.24Å; M1298-I1303 PolarHBondContact O-N 3.04Å; M1298-L1305 HydrophobicContact CE-CB 4.36Å; M1298-L1305 HydrophobicContact CE-CD1 4.14Å; M1298-L1313 HydrophobicContact CE-CD1 4.45Å; M1298-L1313 HydrophobicContact SD-CD1 3.99Å; M1298-L1313 HydrophobicContact SD-CD2 4.05Å; M1298-L1313 HydrophobicContact SD-CG 4.14Å; M1298-M1384 HydrophobicContact CE-CE 4.46Å; M1298-M1384 HydrophobicContact CG-CE 4.11Å; M1298-M1384 HydrophobicContact SD-CE 3.56Å; M1298-M1384 VanDerWaalsContact SD-CE 3.56Å; M1298-M1384 HydrophobicContact SD-SD 4.45Å
1299V92.5Very high92.2Very high29 Ų2922 Ų2218%0.17612%0.121CC..Hα-helixtrans-61.4-50.8174.4-179.30000111.3I996 L997 L1001 S1295 A1296 V1297 W1301 S1302I996-V1299 HydrophobicContact CB-CG1 4.33Å; I996-V1299 HydrophobicContact CD1-CB 3.98Å; I996-V1299 HydrophobicContact CD1-CG1 4.05Å; I996-V1299 HydrophobicContact CG1-CB 4.34Å; I996-V1299 HydrophobicContact CG1-CG1 4.33Å; L997-V1299 HydrophobicContact CD2-CG2 4.19Å; L1001-V1299 HydrophobicContact CD2-CG2 3.7Å; L1001-V1299 HydrophobicContact CG-CG2 3.84Å; S1295-V1299 PolarHBondContact O-N 2.94Å; A1296-V1299 PolarHBondContact O-N 3.49Å; V1297-V1299 VanDerWaalsContact C-N 3.35Å; V1297-V1299 PolarHBondContact O-N 3.47Å; V1299-W1301 VanDerWaalsContact C-N 3.26Å; V1299-W1301 PolarHBondContact O-N 3.49Å; V1299-S1302 PolarHBondContact O-N 3.18Å; V1299-S1302 VanDerWaalsContact O-N 3.14Å
1300L92.3Very high91.9Very high83 Ų8321.6 Ų21.644%0.43512%0.119SC..Hα-helixtrans-64-26.1-176.3-66.3170000114.2W989 F992 I996 A1296 V1297W989-L1300 HydrophobicContact CH2-CD1 3.96Å; F992-L1300 HydrophobicContact CE1-CD1 4.27Å; F992-L1300 HydrophobicContact CE1-CD2 4.13Å; F992-L1300 HydrophobicContact CZ-CD2 4.14Å; I996-L1300 HydrophobicContact CD1-CD2 4.07Å; I996-L1300 HydrophobicContact CD1-CG 3.95Å; A1296-L1300 WeakPolarHBondContact O-CG 3.03Å; A1296-L1300 PolarHBondContact O-N 3.47Å; V1297-L1300 PolarHBondContact O-N 3.16Å
1301W92.2Very high91.5Very high106 Ų10621.9 Ų21.940%0.40212%0.12SC..THydrogen-bonded Turntrans-107.613.9177.3-71.7-9.9000113.6V1297 V1299 I1303 R1383 L1386V1297-W1301 HydrophobicContact CG1-CD2 3.67Å; V1297-W1301 HydrophobicContact CG1-CE3 3.38Å; V1297-W1301 HydrophobicContact CG1-CG 4.23Å; V1297-W1301 HydrophobicContact CG1-CH2 4.4Å; V1297-W1301 HydrophobicContact CG1-CZ3 3.79Å; V1297-W1301 WeakPolarHBondContact O-CB 3.28Å; V1297-W1301 PolarHBondContact O-N 3.03Å; V1299-W1301 VanDerWaalsContact C-N 3.26Å; V1299-W1301 PolarHBondContact O-N 3.49Å; W1301-I1303 HydrophobicContact CB-CD1 4.27Å; W1301-I1303 HydrophobicContact CB-CG1 4.11Å; W1301-I1303 PolarHBondContact O-N 2.64Å; W1301-R1383 HydrophobicContact CE3-CB 3.66Å; W1301-R1383 HydrophobicContact CE3-CG 3.67Å; W1301-R1383 HydrophobicContact CZ3-CB 3.73Å; W1301-R1383 HydrophobicContact CZ3-CG 3.8Å; W1301-R1383 PolarHBondContact O-NH1 2.71Å; W1301-L1386 HydrophobicContact CH2-CD2 4.46Å
1302S89.5Confident91.3Very high104 Ų10421.2 Ų21.273%0.72712%0.117SC*.THydrogen-bonded Turntrans54.536.3177.9-48.30000114.2M1298 V1299M1298-S1302 PolarHBondContact O-N 3.34Å; M1298-S1302 VanDerWaalsContact O-N 3.08Å; V1299-S1302 PolarHBondContact O-N 3.18Å; V1299-S1302 VanDerWaalsContact O-N 3.14Å
1303I89.5Confident91.2Very high6 Ų619.5 Ų19.53%0.03111%0.108CC..  trans-83.8118.2173.7-48.9178.5000107.7M1298 W1301 I1379 F1380 R1383 M1384M1298-I1303 HydrophobicContact CB-CB 3.96Å; M1298-I1303 HydrophobicContact CE-CG2 4.46Å; M1298-I1303 HydrophobicContact CG-CB 4.09Å; M1298-I1303 HydrophobicContact CG-CD1 4.37Å; M1298-I1303 HydrophobicContact CG-CG2 4.24Å; M1298-I1303 PolarHBondContact O-N 3.04Å; W1301-I1303 HydrophobicContact CB-CD1 4.27Å; W1301-I1303 HydrophobicContact CB-CG1 4.11Å; W1301-I1303 PolarHBondContact O-N 2.64Å; I1303-I1379 HydrophobicContact CG1-CG2 4.15Å; I1303-I1379 HydrophobicContact CG2-CG2 4.3Å; I1303-F1380 HydrophobicContact CG2-CD1 3.56Å; I1303-F1380 HydrophobicContact CG2-CE1 3.56Å; I1303-R1383 HydrophobicContact CD1-CB 3.96Å; I1303-M1384 HydrophobicContact CD1-CG 3.9Å; I1303-M1384 HydrophobicContact CG2-CG 4.38Å; I1303-M1384 HydrophobicContact CG2-SD 4.12Å
1304T90.6Very high90.9Very high22 Ų2219.8 Ų19.814%0.13511%0.109CC..  trans-75.6144.7-178.266.40000111.6H1002 I1004 N1306 S1309H1002-T1304 HydrophobicContact CB-CG2 4.06Å; H1002-T1304 CarbonylContact O-C 3.56Å; H1002-T1304 VanDerWaalsContact O-CA 3.32Å; H1002-T1304 WeakPolarHBondContact O-CA 3.32Å; H1002-T1304 VanDerWaalsContact O-CB 3.31Å; H1002-T1304 WeakPolarHBondContact O-CB 3.26Å; I1004-T1304 WeakPolarHBondContact O-CB 3.46Å; I1004-T1304 VanDerWaalsContact O-CG2 3.29Å; I1004-T1304 WeakPolarHBondContact O-CG2 3.42Å; I1004-T1304 PolarHBondContact O-OG1 2.99Å; T1304-N1306 PolarHBondContact O-N 2.03Å; T1304-N1306 PolarHBondContact O-ND2 3.27Å; T1304-N1306 PolarHBondContact OG1-ND2 2.69Å; T1304-S1309 PolarHBondContact O-OG 2.82Å
1305L89.8Confident90.6Very high9 Ų919.8 Ų19.85%0.04711%0.109CC..  trans-74.5115.1169.6-176.865.1000108.2H1002 L1003 L1250 A1254 M1298 S1309 L1313H1002-L1305 PolarHBondContact O-N 3.42Å; L1003-L1305 CarbonylContact C-O 3.45Å; L1003-L1305 WeakPolarHBondContact CA-O 3.17Å; L1003-L1305 HydrophobicContact CD2-CB 4.32Å; L1003-L1305 HydrophobicContact CD2-CD2 3.87Å; L1003-L1305 HydrophobicContact CD2-CG 4.48Å; L1250-L1305 HydrophobicContact CD2-CG 4.33Å; L1250-L1305 VanDerWaalsContact CD2-O 3.26Å; L1250-L1305 WeakPolarHBondContact CD2-O 3.13Å; A1254-L1305 HydrophobicContact CB-CD2 4.48Å; M1298-L1305 HydrophobicContact CE-CB 4.36Å; M1298-L1305 HydrophobicContact CE-CD1 4.14Å; L1305-S1309 WeakPolarHBondContact CA-OG 3.02Å; L1305-L1313 HydrophobicContact CD1-CD1 3.94Å
1306N88.3Confident90.6Very high2 Ų219.2 Ų19.21%0.01111%0.105CC..SBendtrans-147.2-177.8176.462.459.1000109.7L1005 Y1247 T1304 L1308 S1309 L1310 F1380L1005-N1306 HydrophobicContact CB-CB 4.23Å; Y1247-N1306 HydrophobicContact CE1-CB 4.28Å; T1304-N1306 PolarHBondContact O-N 2.03Å; T1304-N1306 PolarHBondContact O-ND2 3.27Å; T1304-N1306 PolarHBondContact OG1-ND2 2.69Å; N1306-L1308 VanDerWaalsContact C-N 3.31Å; N1306-L1308 PolarHBondContact O-N 3.44Å; N1306-L1308 WeakPolarHBondContact OD1-CA 3.18Å; N1306-L1308 WeakPolarHBondContact OD1-CB 3.1Å; N1306-L1308 PolarHBondContact OD1-N 3.14Å; N1306-S1309 PolarHBondContact N-OG 3.05Å; N1306-S1309 PolarHBondContact O-N 3.17Å; N1306-S1309 PolarHBondContact O-OG 2.9Å; N1306-S1309 PolarHBondContact OD1-N 2.96Å; N1306-L1310 WeakPolarHBondContact O-CB 3.33Å; N1306-L1310 PolarHBondContact O-N 3.48Å; N1306-F1380 WeakPolarHBondContact ND2-CE1 3.48Å; N1306-F1380 VanDerWaalsContact ND2-CZ 3.33Å; N1306-F1380 WeakPolarHBondContact ND2-CZ 3.23Å
1307A85.6Confident90.5Very high3 Ų319.2 Ų19.23%0.02511%0.105CC..Hα-helixtrans-59.6-33.7-178.100000114.3W388 M823 V826 V1311W388-A1307 HydrophobicContact CE3-CB 4.16Å; W388-A1307 HydrophobicContact CZ3-CB 3.72Å; M823-A1307 HydrophobicContact SD-CB 4.05Å; V826-A1307 HydrophobicContact CG2-CB 4.13Å; A1307-V1311 WeakPolarHBondContact O-CG2 3.4Å; A1307-V1311 PolarHBondContact O-N 2.91Å
1308L86.5Confident90.3Very high7 Ų718.7 Ų18.74%0.03710%0.102CC..Hα-helixtrans-70.3-45.7176.4-64.1171.1000111.5W388 I700 N1306 L1310 V1311 N1312 L1376W388-L1308 HydrophobicContact CH2-CD2 3.87Å; W388-L1308 HydrophobicContact CH2-CG 4.01Å; I700-L1308 HydrophobicContact CD1-CD2 3.6Å; I700-L1308 HydrophobicContact CG1-CD2 3.98Å; N1306-L1308 VanDerWaalsContact C-N 3.31Å; N1306-L1308 PolarHBondContact O-N 3.44Å; N1306-L1308 WeakPolarHBondContact OD1-CA 3.18Å; N1306-L1308 WeakPolarHBondContact OD1-CB 3.1Å; N1306-L1308 PolarHBondContact OD1-N 3.14Å; L1308-L1310 VanDerWaalsContact C-N 3.29Å; L1308-L1310 PolarHBondContact O-N 2.89Å; L1308-V1311 WeakPolarHBondContact O-CB 3.28Å; L1308-V1311 PolarHBondContact O-N 3.29Å; L1308-N1312 PolarHBondContact O-N 3.04Å; L1308-L1376 HydrophobicContact CD1-CD1 4.17Å; L1308-L1376 HydrophobicContact CD1-CD2 4.07Å; L1308-L1376 HydrophobicContact CD1-CG 4.23Å
1309S90.7Very high90.1Very high0 Ų018.8 Ų18.80%010%0.103CC..Hα-helixtrans-67.9-31.2176640000112T1304 L1305 N1306 N1312 L1313T1304-S1309 PolarHBondContact O-OG 2.82Å; L1305-S1309 WeakPolarHBondContact CA-OG 3.02Å; N1306-S1309 PolarHBondContact N-OG 3.05Å; N1306-S1309 PolarHBondContact O-N 3.17Å; N1306-S1309 PolarHBondContact O-OG 2.9Å; N1306-S1309 PolarHBondContact OD1-N 2.96Å; S1309-N1312 CarbonylContact O-C 3.47Å; S1309-N1312 PolarHBondContact O-N 3.2Å; S1309-L1313 WeakPolarHBondContact O-CG 3.37Å; S1309-L1313 PolarHBondContact O-N 3.45Å
1310L89.8Confident90.1Very high0 Ų017.4 Ų17.40%010%0.095CC..Hα-helixtrans-65.8-42.9174.717957.4000111.1L1250 A1254 Q1257 N1306 L1308 N1312 L1313 V1314L1250-L1310 HydrophobicContact CD1-CD2 4.18Å; A1254-L1310 HydrophobicContact CB-CD1 3.78Å; A1254-L1310 HydrophobicContact CB-CD2 4.24Å; Q1257-L1310 HydrophobicContact CB-CD1 4.48Å; Q1257-L1310 HydrophobicContact CG-CD1 4.3Å; N1306-L1310 WeakPolarHBondContact O-CB 3.33Å; N1306-L1310 PolarHBondContact O-N 3.48Å; L1308-L1310 VanDerWaalsContact C-N 3.29Å; L1308-L1310 PolarHBondContact O-N 2.89Å; L1310-N1312 VanDerWaalsContact C-N 3.32Å; L1310-N1312 PolarHBondContact O-N 3.35Å; L1310-L1313 PolarHBondContact O-N 2.88Å; L1310-V1314 WeakPolarHBondContact O-CG2 3.39Å; L1310-V1314 PolarHBondContact O-N 2.92Å
1311V88.3Confident90.2Very high5 Ų513.5 Ų13.53%0.037%0.074CC..Hα-helixtrans-53.2-51.6167.3163.40000110V826 F829 A1307 L1308 L1313 V1314 V1315V826-V1311 HydrophobicContact CB-CG2 4.16Å; V826-V1311 HydrophobicContact CG1-CG2 3.88Å; V826-V1311 HydrophobicContact CG2-CG2 3.99Å; F829-V1311 HydrophobicContact CD1-CG1 3.72Å; F829-V1311 HydrophobicContact CD1-CG2 4.14Å; F829-V1311 HydrophobicContact CD2-CG1 4.33Å; F829-V1311 HydrophobicContact CE1-CG1 3.58Å; F829-V1311 HydrophobicContact CE2-CG1 4.19Å; F829-V1311 HydrophobicContact CG-CG1 4.11Å; F829-V1311 HydrophobicContact CG-CG2 4.44Å; F829-V1311 HydrophobicContact CZ-CG1 3.83Å; A1307-V1311 WeakPolarHBondContact O-CG2 3.4Å; A1307-V1311 PolarHBondContact O-N 2.91Å; L1308-V1311 WeakPolarHBondContact O-CB 3.28Å; L1308-V1311 PolarHBondContact O-N 3.29Å; V1311-L1313 VanDerWaalsContact C-N 3.28Å; V1311-L1313 PolarHBondContact O-N 3.19Å; V1311-V1314 PolarHBondContact O-N 3.49Å; V1311-V1314 VanDerWaalsContact O-N 3.09Å; V1311-V1315 HydrophobicContact CG1-CG2 4.37Å; V1311-V1315 WeakPolarHBondContact O-CG2 3.06Å; V1311-V1315 PolarHBondContact O-N 3.46Å
1312N90Very high90.1Very high0 Ų08.6 Ų8.60%06%0.056CC..Hα-helixtrans-68.4-21.8-177.3-71.2-18.2000114.2L1308 S1309 L1310 A1316 F1380 Y1381 M1384 Y1385 M1388L1308-N1312 PolarHBondContact O-N 3.04Å; S1309-N1312 CarbonylContact O-C 3.47Å; S1309-N1312 PolarHBondContact O-N 3.2Å; L1310-N1312 VanDerWaalsContact C-N 3.32Å; L1310-N1312 PolarHBondContact O-N 3.35Å; N1312-A1316 WeakPolarHBondContact O-CB 3.39Å; N1312-A1316 PolarHBondContact O-N 3.44Å; N1312-F1380 PolarHBondContact ND2-O 3.1Å; N1312-Y1381 VanDerWaalsContact ND2-CD1 3.28Å; N1312-Y1381 WeakPolarHBondContact ND2-CD1 3.15Å; N1312-Y1381 VanDerWaalsContact ND2-CE1 3.26Å; N1312-Y1381 WeakPolarHBondContact ND2-CE1 3.29Å; N1312-M1384 HydrophobicContact CB-CE 3.7Å; N1312-M1384 HydrophobicContact CB-SD 3.97Å; N1312-Y1385 HydrophobicContact CB-CE1 4.02Å; N1312-Y1385 VanDerWaalsContact CG-CE1 3.47Å; N1312-Y1385 VanDerWaalsContact OD1-CE1 3.3Å; N1312-Y1385 WeakPolarHBondContact OD1-CE1 3.17Å; N1312-Y1385 PolarHBondContact OD1-OH 2.9Å; N1312-M1388 WeakPolarHBondContact O-CE 3.5Å
1313L91.8Very high90.3Very high5 Ų53.7 Ų3.73%0.0262%0.021CC..Hα-helixtrans-78.1-34.3169.4-73169.6000112.7L1258 V1291 V1294 M1298 L1305 S1309 L1310 V1311 A1316 L1317 M1384L1258-L1313 HydrophobicContact CD2-CB 4.06Å; V1291-L1313 HydrophobicContact CG1-CD2 4.46Å; V1294-L1313 HydrophobicContact CG1-CD2 3.98Å; M1298-L1313 HydrophobicContact CE-CD1 4.45Å; M1298-L1313 HydrophobicContact SD-CD1 3.99Å; M1298-L1313 HydrophobicContact SD-CD2 4.05Å; M1298-L1313 HydrophobicContact SD-CG 4.14Å; L1305-L1313 HydrophobicContact CD1-CD1 3.94Å; S1309-L1313 WeakPolarHBondContact O-CG 3.37Å; S1309-L1313 PolarHBondContact O-N 3.45Å; L1310-L1313 PolarHBondContact O-N 2.88Å; V1311-L1313 VanDerWaalsContact C-N 3.28Å; V1311-L1313 PolarHBondContact O-N 3.19Å; L1313-A1316 WeakPolarHBondContact O-CB 3.29Å; L1313-A1316 PolarHBondContact O-N 3.31Å; L1313-L1317 PolarHBondContact O-N 2.8Å; L1313-M1384 HydrophobicContact CD2-CE 4.46Å; L1313-M1384 HydrophobicContact CG-CE 4.22Å
1314V90.2Very high90.5Very high6 Ų63.4 Ų3.44%0.0362%0.02CC..Hα-helixtrans-69.7-36.7170.6177.60000110.7F815 Q1257 L1258 L1310 V1311 A1316 L1317 G1318F815-V1314 HydrophobicContact CD1-CG1 3.93Å; F815-V1314 HydrophobicContact CE1-CG1 3.82Å; Q1257-V1314 HydrophobicContact CG-CG2 3.65Å; L1258-V1314 HydrophobicContact CD2-CG2 4.27Å; L1310-V1314 WeakPolarHBondContact O-CG2 3.39Å; L1310-V1314 PolarHBondContact O-N 2.92Å; V1311-V1314 PolarHBondContact O-N 3.49Å; V1311-V1314 VanDerWaalsContact O-N 3.09Å; V1314-A1316 VanDerWaalsContact C-N 3.33Å; V1314-L1317 WeakPolarHBondContact O-CB 3.24Å; V1314-L1317 PolarHBondContact O-N 3.46Å; V1314-G1318 PolarHBondContact O-N 3.32Å
1315V90Very high90.6Very high2 Ų22.4 Ų2.41%0.0121%0.014CC..Hα-helixtrans-63.8-38.2169.2176.10000111.4L708 F815 F829 V1311 L1317 G1318 I1319 M1388L708-V1315 HydrophobicContact CD1-CB 4.32Å; L708-V1315 HydrophobicContact CD1-CG1 3.85Å; L708-V1315 HydrophobicContact CD1-CG2 3.62Å; F815-V1315 HydrophobicContact CE1-CG2 4.18Å; F815-V1315 HydrophobicContact CZ-CG2 4.29Å; F829-V1315 HydrophobicContact CE1-CG2 3.92Å; F829-V1315 HydrophobicContact CZ-CG2 3.73Å; V1311-V1315 HydrophobicContact CG1-CG2 4.37Å; V1311-V1315 WeakPolarHBondContact O-CG2 3.06Å; V1311-V1315 PolarHBondContact O-N 3.46Å; V1315-L1317 VanDerWaalsContact C-N 3.33Å; V1315-L1317 PolarHBondContact O-N 2.85Å; V1315-G1318 PolarHBondContact O-N 3.43Å; V1315-I1319 HydrophobicContact CG1-CD1 3.72Å; V1315-I1319 HydrophobicContact CG1-CG1 4.31Å; V1315-I1319 PolarHBondContact O-N 2.83Å; V1315-M1388 HydrophobicContact CB-CE 4.31Å; V1315-M1388 HydrophobicContact CG1-CE 3.94Å; V1315-M1388 HydrophobicContact CG1-SD 4.31Å
1316A92.8Very high90.7Very high0 Ų02.1 Ų2.10%01%0.012CC..Hα-helixtrans-61.2-40.2173.100000112V1291 N1312 L1313 V1314 S1320 M1388V1291-A1316 HydrophobicContact CG2-CB 4.32Å; N1312-A1316 WeakPolarHBondContact O-CB 3.39Å; N1312-A1316 PolarHBondContact O-N 3.44Å; L1313-A1316 WeakPolarHBondContact O-CB 3.29Å; L1313-A1316 PolarHBondContact O-N 3.31Å; V1314-A1316 VanDerWaalsContact C-N 3.33Å; A1316-S1320 WeakPolarHBondContact O-CB 3.42Å; A1316-S1320 PolarHBondContact O-N 3.13Å; A1316-S1320 PolarHBondContact O-OG 2.92Å; A1316-M1388 HydrophobicContact CB-CE 3.89Å; A1316-M1388 HydrophobicContact CB-CG 4.03Å; A1316-M1388 HydrophobicContact CB-SD 4.35Å
1317L92.9Very high90.9Very high0 Ų02 Ų20%01%0.012CC..Hα-helixtrans-59.2-47.5174.9-79.7173.8000112.2L1258 C1261 L1262 I1265 V1287 V1291 L1313 V1314 V1315L1258-L1317 HydrophobicContact CB-CD1 4.37Å; L1258-L1317 HydrophobicContact CD2-CD1 3.57Å; L1258-L1317 HydrophobicContact CD2-CG 4.27Å; C1261-L1317 HydrophobicContact CB-CD1 3.51Å; L1262-L1317 HydrophobicContact CD1-CD2 4.44Å; L1262-L1317 HydrophobicContact CD2-CD2 3.5Å; L1262-L1317 HydrophobicContact CG-CD1 4.47Å; L1262-L1317 HydrophobicContact CG-CD2 3.71Å; I1265-L1317 HydrophobicContact CD1-CB 4.26Å; V1287-L1317 HydrophobicContact CG1-CD2 3.5Å; V1287-L1317 VanDerWaalsContact CG1-CD2 3.5Å; V1291-L1317 HydrophobicContact CG2-CD2 3.65Å; V1291-L1317 HydrophobicContact CG2-CG 3.92Å; L1313-L1317 PolarHBondContact O-N 2.8Å; V1314-L1317 WeakPolarHBondContact O-CB 3.24Å; V1314-L1317 PolarHBondContact O-N 3.46Å; V1315-L1317 VanDerWaalsContact C-N 3.33Å; V1315-L1317 PolarHBondContact O-N 2.85Å
1318G89.1Confident91.2Very high1 Ų11.9 Ų1.91%0.011%0.011CC..Hα-helixtrans-61.8-60.7178.700000112.5V1314 V1315 S1320 V1321V1314-G1318 PolarHBondContact O-N 3.32Å; V1315-G1318 PolarHBondContact O-N 3.43Å; G1318-S1320 PolarHBondContact O-N 3.12Å; G1318-S1320 VanDerWaalsContact O-N 3.1Å; G1318-V1321 WeakPolarHBondContact O-CB 3.21Å; G1318-V1321 PolarHBondContact O-N 2.85Å
1319I89.3Confident91.4Very high4 Ų42.8 Ų2.82%0.0211%0.014CC..Hα-helixtrans-61.3-26.9-176.5-67.3179.8000112.1A711 V1315 V1321 E1322 F1323 M1388 I1389A711-I1319 HydrophobicContact CB-CD1 4.46Å; V1315-I1319 HydrophobicContact CG1-CD1 3.72Å; V1315-I1319 HydrophobicContact CG1-CG1 4.31Å; V1315-I1319 PolarHBondContact O-N 2.83Å; I1319-V1321 PolarHBondContact O-N 2.92Å; I1319-E1322 PolarHBondContact O-N 3.31Å; I1319-F1323 HydrophobicContact CG2-CD2 4.23Å; I1319-F1323 HydrophobicContact CG2-CE2 3.87Å; I1319-F1323 WeakPolarHBondContact O-CD2 3.08Å; I1319-M1388 HydrophobicContact CB-SD 4.06Å; I1319-M1388 HydrophobicContact CD1-SD 3.9Å; I1319-M1388 HydrophobicContact CG1-SD 4.48Å; I1319-M1388 HydrophobicContact CG2-SD 4.17Å; I1319-I1389 HydrophobicContact CG2-CD1 4.15Å
1320S93.5Very high91.3Very high1 Ų14 Ų41%0.0072%0.022CC..Hα-helixtrans-63.7-26.9172.6-65.90000113.7I1290 A1316 G1318 C1324I1290-S1320 WeakPolarHBondContact CB-OG 3.36Å; I1290-S1320 WeakPolarHBondContact CD1-OG 3.46Å; I1290-S1320 VanDerWaalsContact CG2-OG 3.27Å; I1290-S1320 WeakPolarHBondContact CG2-OG 3.33Å; A1316-S1320 WeakPolarHBondContact O-CB 3.42Å; A1316-S1320 PolarHBondContact O-N 3.13Å; A1316-S1320 PolarHBondContact O-OG 2.92Å; G1318-S1320 PolarHBondContact O-N 3.12Å; G1318-S1320 VanDerWaalsContact O-N 3.1Å; S1320-C1324 WeakPolarHBondContact O-CB 3.26Å; S1320-C1324 PolarHBondContact O-N 3.03Å; S1320-C1324 PolarHBondContact O-SG 2.74Å
1321V93.4Very high91.4Very high0 Ų04 Ų40%02%0.022CC..Hα-helixtrans-68.7-42178.1-170.80000110.6T807 S810 I1265 V1283 V1287 G1318 I1319 F1323 C1324 A1325T807-V1321 HydrophobicContact CG2-CG1 4.45Å; S810-V1321 WeakPolarHBondContact OG-CG1 3.47Å; I1265-V1321 HydrophobicContact CD1-CG2 3.83Å; I1265-V1321 HydrophobicContact CG1-CG2 4.1Å; I1265-V1321 HydrophobicContact CG2-CG2 3.8Å; V1283-V1321 HydrophobicContact CG1-CG1 4.48Å; V1287-V1321 HydrophobicContact CG2-CG2 4.18Å; G1318-V1321 WeakPolarHBondContact O-CB 3.21Å; G1318-V1321 PolarHBondContact O-N 2.85Å; I1319-V1321 PolarHBondContact O-N 2.92Å; V1321-F1323 VanDerWaalsContact C-N 3.34Å; V1321-F1323 PolarHBondContact O-N 3.42Å; V1321-C1324 PolarHBondContact O-N 3.37Å; V1321-A1325 HydrophobicContact CG1-CB 3.77Å; V1321-A1325 VanDerWaalsContact O-CB 3.24Å; V1321-A1325 WeakPolarHBondContact O-CB 3.22Å; V1321-A1325 PolarHBondContact O-N 2.73Å
1322E91Very high91.4Very high4 Ų44.8 Ų4.82%0.0193%0.027CC..Hα-helixtrans-57.9-44.5176.8-66.1-68176.400111.7T807 I1319 C1324 H1326 I1358T807-E1322 WeakPolarHBondContact CB-OE1 3.4Å; T807-E1322 WeakPolarHBondContact CB-OE2 3.43Å; T807-E1322 WeakPolarHBondContact CG2-OE2 3.45Å; T807-E1322 VanDerWaalsContact OG1-CD 3.29Å; T807-E1322 PolarHBondContact OG1-OE1 3.31Å; T807-E1322 PolarHBondContact OG1-OE2 3.12Å; I1319-E1322 PolarHBondContact O-N 3.31Å; E1322-C1324 VanDerWaalsContact C-N 3.25Å; E1322-C1324 PolarHBondContact O-N 3.42Å; E1322-H1326 PolarHBondContact O-CD2 3.16Å; E1322-H1326 VanDerWaalsContact O-CD2 3.23Å; E1322-H1326 IonicContact OE2-CD2 2.63Å; E1322-H1326 IonicContact OE2-CE1 3.85Å; E1322-H1326 IonicContact OE2-NE2 3.61Å; E1322-H1326 PolarHBondContact OE2-NE2 2.84Å; E1322-I1358 HydrophobicContact CB-CD1 3.61Å
1323F92.2Very high91.2Very high0 Ų06.2 Ų6.20%03%0.034CC..Hα-helixtrans-63.1-25.5175.7-76-70.3000114.6I1319 V1321 I1354 I1358 I1389 G1392 A1393I1319-F1323 HydrophobicContact CG2-CD2 4.23Å; I1319-F1323 HydrophobicContact CG2-CE2 3.87Å; I1319-F1323 WeakPolarHBondContact O-CD2 3.08Å; V1321-F1323 VanDerWaalsContact C-N 3.34Å; V1321-F1323 PolarHBondContact O-N 3.42Å; F1323-I1354 HydrophobicContact CD1-CG2 3.62Å; F1323-I1354 HydrophobicContact CE1-CG2 3.92Å; F1323-I1358 HydrophobicContact CD1-CD1 4.06Å; F1323-I1358 HydrophobicContact CD2-CD1 4.46Å; F1323-I1358 HydrophobicContact CE1-CB 4.17Å; F1323-I1358 HydrophobicContact CE1-CD1 4.12Å; F1323-I1358 HydrophobicContact CE1-CG2 4.11Å; F1323-I1358 HydrophobicContact CE2-CG2 3.9Å; F1323-I1358 HydrophobicContact CG-CD1 4.24Å; F1323-I1358 HydrophobicContact CZ-CB 4.09Å; F1323-I1358 HydrophobicContact CZ-CD1 4.36Å; F1323-I1358 HydrophobicContact CZ-CG2 3.53Å; F1323-I1389 HydrophobicContact CE2-CD1 4.05Å; F1323-I1389 HydrophobicContact CZ-CD1 4.11Å; F1323-I1389 HydrophobicContact CZ-CG2 4.48Å; F1323-G1392 VanDerWaalsContact CD1-C 3.48Å; F1323-G1392 WeakPolarHBondContact CD1-O 3.35Å; F1323-A1393 HydrophobicContact CE1-CB 4.01Å
1324C94.3Very high90.9Very high0 Ų06.4 Ų6.40%04%0.036CC..Hα-helixtrans-108.3-43.8-169.9-670000113.5V1283 S1320 V1321 E1322 I1327 V1328 L1400V1283-C1324 HydrophobicContact CG1-CB 4.17Å; S1320-C1324 WeakPolarHBondContact O-CB 3.26Å; S1320-C1324 PolarHBondContact O-N 3.03Å; S1320-C1324 PolarHBondContact O-SG 2.74Å; V1321-C1324 PolarHBondContact O-N 3.37Å; E1322-C1324 VanDerWaalsContact C-N 3.25Å; E1322-C1324 PolarHBondContact O-N 3.42Å; C1324-I1327 PolarHBondContact O-N 3.17Å; C1324-V1328 WeakPolarHBondContact O-CG2 3.36Å; C1324-V1328 PolarHBondContact O-N 3.05Å; C1324-V1328 VanDerWaalsContact O-N 3.08Å; C1324-L1400 HydrophobicContact CB-CD2 3.93Å
1325A93.2Very high90.6Very high1 Ų18.7 Ų8.71%0.0085%0.05CC..Hα-helixtrans-68.3-40.9-170.400000113L806 T807 V1321 I1327 V1328 R1329L806-A1325 HydrophobicContact CD2-CB 4.38Å; T807-A1325 HydrophobicContact CG2-CB 3.94Å; V1321-A1325 HydrophobicContact CG1-CB 3.77Å; V1321-A1325 VanDerWaalsContact O-CB 3.24Å; V1321-A1325 WeakPolarHBondContact O-CB 3.22Å; V1321-A1325 PolarHBondContact O-N 2.73Å; A1325-I1327 VanDerWaalsContact C-N 3.35Å; A1325-I1327 PolarHBondContact O-N 3.07Å; A1325-V1328 PolarHBondContact O-N 3.07Å; A1325-R1329 WeakPolarHBondContact O-CB 3.47Å; A1325-R1329 PolarHBondContact O-N 3.48Å
1326H90.9Very high90.4Very high4 Ų411.5 Ų11.52%0.0196%0.064CC..Hα-helixtrans-62.4-41.7177.9-63.4-44.4000112E1322 R1329 S1330 M1350 I1354E1322-H1326 PolarHBondContact O-CD2 3.16Å; E1322-H1326 VanDerWaalsContact O-CD2 3.23Å; E1322-H1326 IonicContact OE2-CD2 2.63Å; E1322-H1326 IonicContact OE2-CE1 3.85Å; E1322-H1326 IonicContact OE2-NE2 3.61Å; E1322-H1326 PolarHBondContact OE2-NE2 2.84Å; H1326-R1329 PolarHBondContact O-N 2.85Å; H1326-S1330 VanDerWaalsContact O-CB 3.31Å; H1326-S1330 WeakPolarHBondContact O-CB 3.36Å; H1326-S1330 PolarHBondContact O-N 2.52Å; H1326-M1350 HydrophobicContact CB-SD 4.45Å; H1326-I1354 HydrophobicContact CB-CD1 4.38Å
1327I92.5Very high89.7Confident0 Ų016.1 Ų16.10%09%0.094CC..Hα-helixtrans-68.5-43179.2-59.9-178.9000110.8C1324 A1325 F1331 M1350 I1354 G1396 L1400 L1404C1324-I1327 PolarHBondContact O-N 3.17Å; A1325-I1327 VanDerWaalsContact C-N 3.35Å; A1325-I1327 PolarHBondContact O-N 3.07Å; I1327-F1331 WeakPolarHBondContact O-CB 3.35Å; I1327-F1331 PolarHBondContact O-N 2.79Å; I1327-M1350 HydrophobicContact CG1-CB 4.35Å; I1327-I1354 HydrophobicContact CD1-CD1 3.66Å; I1327-I1354 HydrophobicContact CG1-CD1 3.51Å; I1327-G1396 WeakPolarHBondContact CD1-O 3.34Å; I1327-L1400 HydrophobicContact CB-CD2 4.4Å; I1327-L1400 HydrophobicContact CG2-CD2 4.49Å; I1327-L1404 HydrophobicContact CG2-CD1 4.14Å
1328V93.6Very high89.5Confident0 Ų019.2 Ų19.20%011%0.113CC..Hα-helixtrans-66-41.5174.9177.30000111.7F1273 A1279 M1282 V1283 C1324 A1325 F1331 T1332 L1400 L1404F1273-V1328 HydrophobicContact CE1-CG1 4.04Å; F1273-V1328 HydrophobicContact CE2-CG1 4.21Å; F1273-V1328 HydrophobicContact CZ-CB 4.11Å; F1273-V1328 HydrophobicContact CZ-CG1 3.72Å; A1279-V1328 HydrophobicContact CB-CG1 3.85Å; M1282-V1328 HydrophobicContact CB-CG2 4.13Å; V1283-V1328 HydrophobicContact CG2-CB 3.79Å; V1283-V1328 HydrophobicContact CG2-CG1 4.08Å; V1283-V1328 HydrophobicContact CG2-CG2 3.64Å; C1324-V1328 WeakPolarHBondContact O-CG2 3.36Å; C1324-V1328 PolarHBondContact O-N 3.05Å; C1324-V1328 VanDerWaalsContact O-N 3.08Å; A1325-V1328 PolarHBondContact O-N 3.07Å; V1328-F1331 PolarHBondContact O-N 3.16Å; V1328-T1332 HydrophobicContact CG1-CG2 4.47Å; V1328-T1332 WeakPolarHBondContact O-CG2 3.48Å; V1328-T1332 PolarHBondContact O-N 3.04Å; V1328-T1332 PolarHBondContact O-OG1 3.08Å; V1328-L1400 HydrophobicContact CG2-CD1 4.34Å; V1328-L1400 HydrophobicContact CG2-CD2 4.12Å; V1328-L1404 HydrophobicContact CG2-CD1 4.37Å; V1328-L1404 HydrophobicContact CG2-CD2 4.46Å
1329R90.6Very high89.5Confident26 Ų2623.4 Ų23.410%0.09813%0.129CC..Hα-helixtrans-64.9-40.5177.1-175.1172.8179.2-103.3-11.2112N339 S799 S803 F1273 A1325 H1326 T1332 I1333N339-R1329 PolarHBondContact OD1-NH2 3.4Å; S799-R1329 PolarHBondContact O-NH1 2.03Å; S803-R1329 WeakPolarHBondContact OG-CD 3.21Å; S803-R1329 PolarHBondContact OG-NH1 3.46Å; F1273-R1329 HydrophobicContact CE1-CB 4.06Å; A1325-R1329 WeakPolarHBondContact O-CB 3.47Å; A1325-R1329 PolarHBondContact O-N 3.48Å; H1326-R1329 PolarHBondContact O-N 2.85Å; R1329-T1332 WeakPolarHBondContact CA-OG1 3.4Å; R1329-T1332 PolarHBondContact O-N 3.01Å; R1329-T1332 PolarHBondContact O-OG1 3.18Å; R1329-I1333 HydrophobicContact CG-CD1 3.68Å; R1329-I1333 HydrophobicContact CG-CG1 4.41Å; R1329-I1333 WeakPolarHBondContact O-CB 3.3Å; R1329-I1333 VanDerWaalsContact O-CG1 3.3Å; R1329-I1333 WeakPolarHBondContact O-CG1 3.41Å; R1329-I1333 PolarHBondContact O-N 3.35Å
1330S88.5Confident89.6Confident24 Ų2425.6 Ų25.617%0.16814%0.142CC..Hα-helixtrans-63.8-41.9174179.30000111.4H1326 T1332 I1333 S1334 S1346 M1350H1326-S1330 VanDerWaalsContact O-CB 3.31Å; H1326-S1330 WeakPolarHBondContact O-CB 3.36Å; H1326-S1330 PolarHBondContact O-N 2.52Å; S1330-T1332 PolarHBondContact O-N 2.81Å; S1330-I1333 PolarHBondContact O-N 3.46Å; S1330-S1334 WeakPolarHBondContact O-CB 3.48Å; S1330-S1334 PolarHBondContact O-N 2.83Å; S1330-S1346 WeakPolarHBondContact OG-CA 3.41Å; S1330-S1346 WeakPolarHBondContact OG-CB 3.27Å; S1330-M1350 VanDerWaalsContact CB-CG 3.47Å
1331F91.8Very high89.5Confident0 Ų029.3 Ų29.30%016%0.159CC..Hα-helixtrans-64-35.2175.9-176.4-85.2000114.1I1327 V1328 R1339 R1342 A1343 L1404 P1409I1327-F1331 WeakPolarHBondContact O-CB 3.35Å; I1327-F1331 PolarHBondContact O-N 2.79Å; V1328-F1331 PolarHBondContact O-N 3.16Å; F1331-R1339 WeakPolarHBondContact CE2-O 3.4Å; F1331-R1339 HydrophobicContact CZ-CB 4.35Å; F1331-R1339 HydrophobicContact CZ-CG 4.29Å; F1331-R1342 HydrophobicContact CD2-CB 3.82Å; F1331-R1342 HydrophobicContact CE2-CB 3.72Å; F1331-R1342 HydrophobicContact CG-CB 4.49Å; F1331-R1342 HydrophobicContact CZ-CB 4.32Å; F1331-R1342 PolarHBondContact O-NH1 2.99Å; F1331-A1343 HydrophobicContact CD2-CB 4.22Å; F1331-A1343 HydrophobicContact CE2-CB 4.03Å; F1331-L1404 HydrophobicContact CB-CD1 4.21Å; F1331-L1404 HydrophobicContact CD1-CD2 4.05Å; F1331-L1404 HydrophobicContact CD2-CB 4.08Å; F1331-L1404 HydrophobicContact CD2-CD1 4.22Å; F1331-L1404 HydrophobicContact CE1-CD2 4.28Å; F1331-L1404 HydrophobicContact CE2-CB 3.93Å; F1331-L1404 HydrophobicContact CG-CD1 4.18Å; F1331-L1404 HydrophobicContact CG-CD2 4.21Å; F1331-L1404 HydrophobicContact CZ-CB 4.27Å; F1331-P1409 HydrophobicContact CD1-CG 4.08Å; F1331-P1409 HydrophobicContact CE1-CG 4.01Å
1332T88.5Confident89.4Confident23 Ų2329.5 Ų29.514%0.14116%0.16CC..Hα-helixtrans-78.3-29.8177.352.40000113.3A1279 V1328 R1329 S1330 P1409A1279-T1332 HydrophobicContact CB-CG2 3.82Å; V1328-T1332 HydrophobicContact CG1-CG2 4.47Å; V1328-T1332 WeakPolarHBondContact O-CG2 3.48Å; V1328-T1332 PolarHBondContact O-N 3.04Å; V1328-T1332 PolarHBondContact O-OG1 3.08Å; R1329-T1332 WeakPolarHBondContact CA-OG1 3.4Å; R1329-T1332 PolarHBondContact O-N 3.01Å; R1329-T1332 PolarHBondContact O-OG1 3.18Å; S1330-T1332 PolarHBondContact O-N 2.81Å; T1332-P1409 HydrophobicContact CG2-CG 3.64Å
1333I85.3Confident89.5Confident30 Ų3029.3 Ų29.315%0.15416%0.159CC..Hα-helixtrans-81.5-26.8176.8-68.9173.8000112.3R1329 S1330 M1415R1329-I1333 HydrophobicContact CG-CD1 3.68Å; R1329-I1333 HydrophobicContact CG-CG1 4.41Å; R1329-I1333 WeakPolarHBondContact O-CB 3.3Å; R1329-I1333 VanDerWaalsContact O-CG1 3.3Å; R1329-I1333 WeakPolarHBondContact O-CG1 3.41Å; R1329-I1333 PolarHBondContact O-N 3.35Å; S1330-I1333 PolarHBondContact O-N 3.46Å; I1333-M1415 HydrophobicContact CB-CE 4.5Å; I1333-M1415 HydrophobicContact CG1-CE 3.85Å
1334S85.5Confident89.5Confident8 Ų834 Ų346%0.05618%0.18CC..  trans-58.4137.1177.6172.80000112.6S1330 L1336 R1342 E1345S1330-S1334 WeakPolarHBondContact O-CB 3.48Å; S1330-S1334 PolarHBondContact O-N 2.83Å; S1334-L1336 PolarHBondContact OG-N 3.2Å; S1334-R1342 WeakPolarHBondContact O-CD 3.41Å; S1334-R1342 VanDerWaalsContact OG-CG 3.24Å; S1334-R1342 WeakPolarHBondContact OG-CG 3.29Å; S1334-E1345 WeakPolarHBondContact CB-OE2 3.24Å; S1334-E1345 PolarHBondContact OG-OE2 2.96Å
1335V84.4Confident89.3Confident54 Ų5437 Ų3733%0.32719%0.194SC..  trans-99.31.1-177.8-63.10000113.8
1336L85.1Confident89.2Confident62 Ų6237 Ų3733%0.32519%0.193SC..  trans-68.1145.6-177.7-56.8174.7000111.6S1334 E1341 R1342 E1345S1334-L1336 PolarHBondContact OG-N 3.2Å; L1336-E1341 HydrophobicContact CB-CB 3.87Å; L1336-E1341 HydrophobicContact CD1-CB 3.94Å; L1336-R1342 HydrophobicContact CB-CG 3.85Å; L1336-R1342 WeakPolarHBondContact O-CD 3.36Å; L1336-R1342 WeakPolarHBondContact O-CG 3.02Å; L1336-R1342 PolarHBondContact O-NE 2.86Å; L1336-E1345 HydrophobicContact CD1-CB 3.91Å; L1336-E1345 HydrophobicContact CD1-CG 4.37Å; L1336-E1345 VanDerWaalsContact CD1-OE2 3.27Å; L1336-E1345 WeakPolarHBondContact CD1-OE2 3.02Å
1337P79Confident89.2Confident96 Ų9636.8 Ų36.862%0.62319%0.192SC*.SBendtrans-70.5-40.4-165.725.3-32.7000113.5E1341P1337-E1341 WeakPolarHBondContact CG-OE2 3.32Å
1338T88.6Confident88.9Confident65 Ų6537.6 Ų37.640%0.39920%0.198SC..SBendtrans-94.4151.3-177.876.10000113.2V1340 E1341 R1342T1338-V1340 PolarHBondContact O-N 3.47Å; T1338-V1340 PolarHBondContact OG1-N 2.8Å; T1338-E1341 WeakPolarHBondContact CB-OE2 3.46Å; T1338-E1341 VanDerWaalsContact CG2-OE2 3.24Å; T1338-E1341 WeakPolarHBondContact CG2-OE2 3.23Å; T1338-E1341 PolarHBondContact N-OE2 3.1Å; T1338-E1341 PolarHBondContact O-N 3.22Å; T1338-E1341 VanDerWaalsContact OG1-CG 3.27Å; T1338-E1341 WeakPolarHBondContact OG1-CG 3.19Å; T1338-E1341 PolarHBondContact OG1-N 3.15Å; T1338-E1341 VanDerWaalsContact OG1-N 3.14Å; T1338-E1341 PolarHBondContact OG1-OE2 2.65Å; T1338-R1342 WeakPolarHBondContact O-CG 3.48Å; T1338-R1342 PolarHBondContact O-N 3.19Å; T1338-R1342 VanDerWaalsContact O-N 3.12Å
1339R89.5Confident88.3Confident89 Ų8940 Ų4034%0.33621%0.21SC..Hα-helixtrans-58.3-26.6170.8-73.7-178166.5148.1-2.7113.2F1331 A1343 Y1406 G1408F1331-R1339 WeakPolarHBondContact CE2-O 3.4Å; F1331-R1339 HydrophobicContact CZ-CB 4.35Å; F1331-R1339 HydrophobicContact CZ-CG 4.29Å; R1339-A1343 WeakPolarHBondContact O-CB 3.47Å; R1339-A1343 PolarHBondContact O-N 3.25Å; R1339-Y1406 PolarHBondContact NH1-O 3.1Å; R1339-G1408 PolarHBondContact NE-O 2.87Å; R1339-G1408 PolarHBondContact NH2-O 3.49Å
1340V91.2Very high88.1Confident50 Ų5040.9 Ų40.930%0.30322%0.215SC..Hα-helixtrans-78.1-43.3-177.8-174.40000110.3L974 T1338 A1343 K1344L974-V1340 HydrophobicContact CB-CG1 4.33Å; T1338-V1340 PolarHBondContact O-N 3.47Å; T1338-V1340 PolarHBondContact OG1-N 2.8Å; V1340-A1343 PolarHBondContact O-N 2.78Å; V1340-K1344 WeakPolarHBondContact O-CB 3.44Å; V1340-K1344 PolarHBondContact O-N 2.85Å
1341E90.4Very high88Confident79 Ų7939.7 Ų39.737%0.36921%0.207SC..Hα-helixtrans-64.8-43.9175.5-67.4155.7143.300111.7L1336 P1337 T1338 A1343 K1344 E1345L1336-E1341 HydrophobicContact CB-CB 3.87Å; L1336-E1341 HydrophobicContact CD1-CB 3.94Å; P1337-E1341 WeakPolarHBondContact CG-OE2 3.32Å; T1338-E1341 WeakPolarHBondContact CB-OE2 3.46Å; T1338-E1341 VanDerWaalsContact CG2-OE2 3.24Å; T1338-E1341 WeakPolarHBondContact CG2-OE2 3.23Å; T1338-E1341 PolarHBondContact N-OE2 3.1Å; T1338-E1341 PolarHBondContact O-N 3.22Å; T1338-E1341 VanDerWaalsContact OG1-CG 3.27Å; T1338-E1341 WeakPolarHBondContact OG1-CG 3.19Å; T1338-E1341 PolarHBondContact OG1-N 3.15Å; T1338-E1341 VanDerWaalsContact OG1-N 3.14Å; T1338-E1341 PolarHBondContact OG1-OE2 2.65Å; E1341-A1343 VanDerWaalsContact C-N 3.32Å; E1341-A1343 PolarHBondContact O-N 2.72Å; E1341-K1344 WeakPolarHBondContact O-CA 3.33Å; E1341-K1344 WeakPolarHBondContact O-CB 3.47Å; E1341-K1344 PolarHBondContact O-N 3.5Å; E1341-E1345 PolarHBondContact O-N 2.81Å
1342R91.3Very high87.5Confident4 Ų440 Ų402%0.01521%0.209CC..Hα-helixtrans-61.9-37.7176.1-64.9-156.5-83.11254112.9F1331 S1334 L1336 T1338 K1344 S1346 P1409F1331-R1342 HydrophobicContact CD2-CB 3.82Å; F1331-R1342 HydrophobicContact CE2-CB 3.72Å; F1331-R1342 HydrophobicContact CG-CB 4.49Å; F1331-R1342 HydrophobicContact CZ-CB 4.32Å; F1331-R1342 PolarHBondContact O-NH1 2.99Å; S1334-R1342 WeakPolarHBondContact O-CD 3.41Å; S1334-R1342 VanDerWaalsContact OG-CG 3.24Å; S1334-R1342 WeakPolarHBondContact OG-CG 3.29Å; L1336-R1342 HydrophobicContact CB-CG 3.85Å; L1336-R1342 WeakPolarHBondContact O-CD 3.36Å; L1336-R1342 WeakPolarHBondContact O-CG 3.02Å; L1336-R1342 PolarHBondContact O-NE 2.86Å; T1338-R1342 WeakPolarHBondContact O-CG 3.48Å; T1338-R1342 PolarHBondContact O-N 3.19Å; T1338-R1342 VanDerWaalsContact O-N 3.12Å; R1342-K1344 VanDerWaalsContact C-N 3.34Å; R1342-S1346 WeakPolarHBondContact O-CB 3.21Å; R1342-S1346 PolarHBondContact O-N 3.31Å; R1342-S1346 PolarHBondContact O-OG 3.03Å; R1342-P1409 PolarHBondContact NH2-O 2.83Å
1343A92.8Very high87.3Confident0 Ų039.2 Ų39.20%020%0.204CC..Hα-helixtrans-69.7-31172.500000112.6L974 F1331 R1339 V1340 E1341 S1346 L1347L974-A1343 HydrophobicContact CD1-CB 4.09Å; L974-A1343 HydrophobicContact CD2-CB 4.16Å; F1331-A1343 HydrophobicContact CD2-CB 4.22Å; F1331-A1343 HydrophobicContact CE2-CB 4.03Å; R1339-A1343 WeakPolarHBondContact O-CB 3.47Å; R1339-A1343 PolarHBondContact O-N 3.25Å; V1340-A1343 PolarHBondContact O-N 2.78Å; E1341-A1343 VanDerWaalsContact C-N 3.32Å; E1341-A1343 PolarHBondContact O-N 2.72Å; A1343-S1346 PolarHBondContact O-OG 2.85Å; A1343-L1347 VanDerWaalsContact O-CB 3.23Å; A1343-L1347 WeakPolarHBondContact O-CB 3.25Å; A1343-L1347 PolarHBondContact O-N 2.89Å
1344K92.6Very high87.3Confident99 Ų9937.8 Ų37.843%0.4320%0.197SC..Hα-helixtrans-69.6-45.8177.8-166.4-170177.7-175.90111.4S970 L974 V1340 E1341 R1342 S1348S970-K1344 WeakPolarHBondContact OG-CA 3.47Å; S970-K1344 WeakPolarHBondContact OG-CG 3.45Å; S970-K1344 PolarHBondContact OG-O 3.08Å; S970-K1344 VanDerWaalsContact OG-O 3.12Å; L974-K1344 VanDerWaalsContact CD1-CA 3.43Å; L974-K1344 HydrophobicContact CD1-CB 3.73Å; L974-K1344 HydrophobicContact CD1-CG 4.25Å; V1340-K1344 WeakPolarHBondContact O-CB 3.44Å; V1340-K1344 PolarHBondContact O-N 2.85Å; E1341-K1344 WeakPolarHBondContact O-CA 3.33Å; E1341-K1344 WeakPolarHBondContact O-CB 3.47Å; E1341-K1344 PolarHBondContact O-N 3.5Å; R1342-K1344 VanDerWaalsContact C-N 3.34Å; K1344-S1348 PolarHBondContact O-N 2.04Å; K1344-S1348 PolarHBondContact O-OG 3Å
1345E89.3Confident87.4Confident63 Ų6338.9 Ų38.929%0.29420%0.202SC..Hα-helixtrans-66.2-47.7176.9-175.9-176.4-155.100111.6S1334 L1336 E1341 L1347 S1348 E1349S1334-E1345 WeakPolarHBondContact CB-OE2 3.24Å; S1334-E1345 PolarHBondContact OG-OE2 2.96Å; L1336-E1345 HydrophobicContact CD1-CB 3.91Å; L1336-E1345 HydrophobicContact CD1-CG 4.37Å; L1336-E1345 VanDerWaalsContact CD1-OE2 3.27Å; L1336-E1345 WeakPolarHBondContact CD1-OE2 3.02Å; E1341-E1345 PolarHBondContact O-N 2.81Å; E1345-L1347 PolarHBondContact O-N 3.45Å; E1345-S1348 WeakPolarHBondContact CA-OG 2.98Å; E1345-S1348 PolarHBondContact O-N 3.4Å; E1345-S1348 VanDerWaalsContact O-N 3.16Å; E1345-S1348 PolarHBondContact O-OG 3.08Å; E1345-E1349 PolarHBondContact O-N 2.73Å
1346S91.1Very high87.3Confident0 Ų037.8 Ų37.80%019%0.192CC..Hα-helixtrans-63.8-32.6179.870.30000112.7S1330 R1342 A1343 M1350S1330-S1346 WeakPolarHBondContact OG-CA 3.41Å; S1330-S1346 WeakPolarHBondContact OG-CB 3.27Å; R1342-S1346 WeakPolarHBondContact O-CB 3.21Å; R1342-S1346 PolarHBondContact O-N 3.31Å; R1342-S1346 PolarHBondContact O-OG 3.03Å; A1343-S1346 PolarHBondContact O-OG 2.85Å; S1346-M1350 WeakPolarHBondContact O-CB 3.24Å; S1346-M1350 PolarHBondContact O-N 2.73Å
1347L91.6Very high87.1Confident0 Ų034.8 Ų34.80%018%0.177CC..Hα-helixtrans-75.2-37.1173.5-177.357.2000112.8V965 I973 A1343 E1345 G1351 L1397 P1401V965-L1347 HydrophobicContact CG1-CG 4.43Å; V965-L1347 WeakPolarHBondContact CG1-O 3.41Å; I973-L1347 HydrophobicContact CD1-CD2 4.4Å; A1343-L1347 VanDerWaalsContact O-CB 3.23Å; A1343-L1347 WeakPolarHBondContact O-CB 3.25Å; A1343-L1347 PolarHBondContact O-N 2.89Å; E1345-L1347 PolarHBondContact O-N 3.45Å; L1347-G1351 VanDerWaalsContact O-CA 3.27Å; L1347-G1351 WeakPolarHBondContact O-CA 3.49Å; L1347-G1351 PolarHBondContact O-N 2.93Å; L1347-G1351 VanDerWaalsContact O-N 3.11Å; L1347-L1397 HydrophobicContact CD1-CB 4.35Å; L1347-L1397 HydrophobicContact CD1-CD2 4.07Å; L1347-L1397 WeakPolarHBondContact CD1-O 3.45Å; L1347-P1401 HydrophobicContact CD1-CG 4.25Å; L1347-P1401 HydrophobicContact CD2-CB 4.31Å; L1347-P1401 HydrophobicContact CD2-CG 4.29Å
1348S87.4Confident87.4Confident17 Ų1730.4 Ų30.412%0.11915%0.148CC..Hα-helixtrans-67.1-48.6178.453.30000112.6H962 K1344 E1345H962-S1348 PolarHBondContact CD2-O 3.46Å; H962-S1348 VanDerWaalsContact CD2-O 3.22Å; K1344-S1348 PolarHBondContact O-N 2.04Å; K1344-S1348 PolarHBondContact O-OG 3Å; E1345-S1348 WeakPolarHBondContact CA-OG 2.98Å; E1345-S1348 PolarHBondContact O-N 3.4Å; E1345-S1348 VanDerWaalsContact O-N 3.16Å; E1345-S1348 PolarHBondContact O-OG 3.08Å
1349E80.7Confident87.4Confident52 Ų5228.1 Ų28.124%0.24313%0.134CC..Hα-helixtrans-70.9-67.7-179-61.1-66.3145.500110.2H962 E1345 G1351 S1352H962-E1349 IonicContact NE2-OE1 2.77Å; E1345-E1349 PolarHBondContact O-N 2.73Å; E1349-G1351 PolarHBondContact O-N 3.46Å; E1349-S1352 PolarHBondContact O-N 3.39Å; E1349-S1352 PolarHBondContact O-OG 3.47Å
1350M85.9Confident87.4Confident43 Ų4327 Ų2721%0.21213%0.134CC..Hα-helixtrans-71.5-35.4-171.2-55.6-67.291.600113.2H1326 I1327 S1330 S1346 S1352 S1353 I1354H1326-M1350 HydrophobicContact CB-SD 4.45Å; I1327-M1350 HydrophobicContact CG1-CB 4.35Å; S1330-M1350 VanDerWaalsContact CB-CG 3.47Å; S1346-M1350 WeakPolarHBondContact O-CB 3.24Å; S1346-M1350 PolarHBondContact O-N 2.73Å; M1350-S1352 PolarHBondContact O-N 2.91Å; M1350-S1353 PolarHBondContact O-N 2.91Å; M1350-I1354 HydrophobicContact CB-CD1 4.32Å; M1350-I1354 WeakPolarHBondContact O-CG1 3.09Å; M1350-I1354 PolarHBondContact O-N 2.8Å
1351G85.5Confident87.2Confident0 Ų024.8 Ų24.80%012%0.12CC..Hα-helixtrans-62.9-28.7-178.600000113.2L1347 E1349 S1353 L1355L1347-G1351 VanDerWaalsContact O-CA 3.27Å; L1347-G1351 WeakPolarHBondContact O-CA 3.49Å; L1347-G1351 PolarHBondContact O-N 2.93Å; L1347-G1351 VanDerWaalsContact O-N 3.11Å; E1349-G1351 PolarHBondContact O-N 3.46Å; G1351-S1353 VanDerWaalsContact C-N 3.34Å; G1351-L1355 WeakPolarHBondContact O-CB 3.39Å; G1351-L1355 WeakPolarHBondContact O-CG 3.44Å; G1351-L1355 PolarHBondContact O-N 3.42Å
1352S82.6Confident87Confident5 Ų521 Ų214%0.03510%0.103CC..Hα-helixtrans-70.5-29.6173.979.60000113.3E1349 M1350E1349-S1352 PolarHBondContact O-N 3.39Å; E1349-S1352 PolarHBondContact O-OG 3.47Å; M1350-S1352 PolarHBondContact O-N 2.91Å
1353S83.2Confident86.8Confident7 Ų723.7 Ų23.75%0.04912%0.117CC..Hα-helixtrans-79.6-50.1175.9-159.80000111.6I719 M1350 G1351 L1355 R1356 G1357I719-S1353 WeakPolarHBondContact CG1-OG 3.05Å; M1350-S1353 PolarHBondContact O-N 2.91Å; G1351-S1353 VanDerWaalsContact C-N 3.34Å; S1353-L1355 PolarHBondContact O-N 3.17Å; S1353-R1356 CarbonylContact O-C 3.27Å; S1353-R1356 WeakPolarHBondContact O-CA 3.22Å; S1353-R1356 PolarHBondContact O-N 3.38Å; S1353-G1357 PolarHBondContact O-N 3.11Å
1354I86.5Confident86.4Confident1 Ų125 Ų251%0.00513%0.13CC..Hα-helixtrans-56.8-35179.6-70.7165.8000112.6F1323 H1326 I1327 M1350 R1356 I1358 T1359 L1397F1323-I1354 HydrophobicContact CD1-CG2 3.62Å; F1323-I1354 HydrophobicContact CE1-CG2 3.92Å; H1326-I1354 HydrophobicContact CB-CD1 4.38Å; I1327-I1354 HydrophobicContact CD1-CD1 3.66Å; I1327-I1354 HydrophobicContact CG1-CD1 3.51Å; M1350-I1354 HydrophobicContact CB-CD1 4.32Å; M1350-I1354 WeakPolarHBondContact O-CG1 3.09Å; M1350-I1354 PolarHBondContact O-N 2.8Å; I1354-R1356 VanDerWaalsContact C-N 3.34Å; I1354-I1358 HydrophobicContact CG2-CD1 4.28Å; I1354-I1358 PolarHBondContact O-N 3.36Å; I1354-T1359 PolarHBondContact O-N 3.14Å; I1354-T1359 PolarHBondContact O-OG1 2.86Å; I1354-L1397 HydrophobicContact CB-CD2 4.5Å; I1354-L1397 HydrophobicContact CG2-CD2 4.27Å
1355L86.9Confident86Confident31 Ų3120.2 Ų20.216%0.16211%0.11CC..Iπ-helixtrans-66.9-33.4173.4-81.3170.9000112.9L961 V965 G1351 S1353 T1359 L1360 L1397L961-L1355 HydrophobicContact CD1-CD1 4.26Å; L961-L1355 HydrophobicContact CD2-CB 3.69Å; L961-L1355 HydrophobicContact CD2-CD1 4.2Å; L961-L1355 HydrophobicContact CG-CD1 4.42Å; V965-L1355 HydrophobicContact CG2-CD1 3.77Å; G1351-L1355 WeakPolarHBondContact O-CB 3.39Å; G1351-L1355 WeakPolarHBondContact O-CG 3.44Å; G1351-L1355 PolarHBondContact O-N 3.42Å; S1353-L1355 PolarHBondContact O-N 3.17Å; L1355-T1359 HydrophobicContact CD2-CG2 4.31Å; L1355-L1360 VanDerWaalsContact O-CB 3.3Å; L1355-L1360 WeakPolarHBondContact O-CB 3.26Å; L1355-L1360 WeakPolarHBondContact O-CD1 3.37Å; L1355-L1360 WeakPolarHBondContact O-CG 3.07Å; L1355-L1360 PolarHBondContact O-N 2.04Å; L1355-L1397 HydrophobicContact CD1-CD1 4.18Å; L1355-L1397 HydrophobicContact CD2-CD1 3.42Å; L1355-L1397 VanDerWaalsContact CD2-CD1 3.42Å; L1355-L1397 HydrophobicContact CG-CD1 3.58Å
1356R82.8Confident86Confident30 Ų3017.3 Ų17.311%0.11310%0.096CC..Iπ-helixtrans-89.7-51.6-176.3-79.2169.4173.6-150.3-1.9113.5Y649 S959 L961 S1353 I1354 T1361Y649-R1356 WeakPolarHBondContact CE1-O 3.45Å; Y649-R1356 PolarHBondContact OH-O 3.09Å; S959-R1356 PolarHBondContact OG-NH1 3.14Å; S959-R1356 PolarHBondContact OG-NH2 3.37Å; L961-R1356 HydrophobicContact CD2-CG 3.62Å; S1353-R1356 CarbonylContact O-C 3.27Å; S1353-R1356 WeakPolarHBondContact O-CA 3.22Å; S1353-R1356 PolarHBondContact O-N 3.38Å; I1354-R1356 VanDerWaalsContact C-N 3.34Å; R1356-T1361 PolarHBondContact O-OG1 3.11Å
1357G80Confident85.9Confident0 Ų021.3 Ų21.30%012%0.12CC..Iπ-helixtrans-70.2-61.7-177.400000111.1D715 S1353 T1361D715-G1357 WeakPolarHBondContact OD1-CA 3.37Å; S1353-G1357 PolarHBondContact O-N 3.11Å; G1357-T1361 WeakPolarHBondContact O-CB 3.26Å; G1357-T1361 PolarHBondContact O-OG1 3.37Å
1358I85.6Confident85.7Confident4 Ų422.6 Ų22.62%0.02113%0.128CC..Iπ-helixtrans-75.5-68.9176.1-34.6179.6000112.2D715 E1322 F1323 I1354 L1360 K1362 I1389D715-I1358 HydrophobicContact CB-CG1 3.81Å; D715-I1358 VanDerWaalsContact OD1-CG1 3.27Å; D715-I1358 WeakPolarHBondContact OD1-CG1 3.33Å; D715-I1358 PolarHBondContact OD1-N 3.34Å; D715-I1358 VanDerWaalsContact OD1-N 3.08Å; D715-I1358 WeakPolarHBondContact OD2-CG1 3.18Å; E1322-I1358 HydrophobicContact CB-CD1 3.61Å; F1323-I1358 HydrophobicContact CD1-CD1 4.06Å; F1323-I1358 HydrophobicContact CD2-CD1 4.46Å; F1323-I1358 HydrophobicContact CE1-CB 4.17Å; F1323-I1358 HydrophobicContact CE1-CD1 4.12Å; F1323-I1358 HydrophobicContact CE1-CG2 4.11Å; F1323-I1358 HydrophobicContact CE2-CG2 3.9Å; F1323-I1358 HydrophobicContact CG-CD1 4.24Å; F1323-I1358 HydrophobicContact CZ-CB 4.09Å; F1323-I1358 HydrophobicContact CZ-CD1 4.36Å; F1323-I1358 HydrophobicContact CZ-CG2 3.53Å; I1354-I1358 HydrophobicContact CG2-CD1 4.28Å; I1354-I1358 PolarHBondContact O-N 3.36Å; I1358-L1360 PolarHBondContact O-N 2.03Å; I1358-K1362 HydrophobicContact CG2-CG 4.14Å; I1358-K1362 VanDerWaalsContact O-CB 3.23Å; I1358-K1362 WeakPolarHBondContact O-CB 3.41Å; I1358-K1362 VanDerWaalsContact O-CG 3.24Å; I1358-K1362 WeakPolarHBondContact O-CG 3.38Å; I1358-K1362 PolarHBondContact O-N 2.85Å; I1358-I1389 HydrophobicContact CG2-CD1 4.24Å
1359T89.6Confident85.5Confident17 Ų1722.4 Ų22.410%0.10413%0.126CC..Iπ-helixtrans-65.5-54.5-153.2-50.40000112.4I1354 L1355 L1363 I1389 A1393I1354-T1359 PolarHBondContact O-N 3.14Å; I1354-T1359 PolarHBondContact O-OG1 2.86Å; L1355-T1359 HydrophobicContact CD2-CG2 4.31Å; T1359-L1363 VanDerWaalsContact O-CB 3.24Å; T1359-L1363 WeakPolarHBondContact O-CB 3.06Å; T1359-L1363 PolarHBondContact O-N 2.82Å; T1359-I1389 HydrophobicContact CG2-CG2 4.26Å; T1359-A1393 HydrophobicContact CG2-CB 3.74Å
1360L88.3Confident85.8Confident66 Ų6622 Ų2235%0.34613%0.131SC..Iπ-helixtrans-72.1-39.5-177.3-72.2169.3000112.5Y649 L1355 I1358 K1362 L1363 G1364Y649-L1360 HydrophobicContact CE2-CB 3.99Å; Y649-L1360 VanDerWaalsContact OH-CB 3.3Å; Y649-L1360 WeakPolarHBondContact OH-CB 3.34Å; L1355-L1360 VanDerWaalsContact O-CB 3.3Å; L1355-L1360 WeakPolarHBondContact O-CB 3.26Å; L1355-L1360 WeakPolarHBondContact O-CD1 3.37Å; L1355-L1360 WeakPolarHBondContact O-CG 3.07Å; L1355-L1360 PolarHBondContact O-N 2.04Å; I1358-L1360 PolarHBondContact O-N 2.03Å; L1360-K1362 PolarHBondContact O-N 2.94Å; L1360-L1363 PolarHBondContact O-N 3.41Å; L1360-G1364 PolarHBondContact O-N 2.71Å
1361T86.3Confident85.9Confident2 Ų223.5 Ų23.51%0.01215%0.151CC..Hα-helixtrans-57.5-49.8173.2-50.10000111M646 Y649 V650 V714 R1356 G1357 G1364 G1365M646-T1361 HydrophobicContact CB-CG2 4.26Å; M646-T1361 HydrophobicContact CG-CG2 4.04Å; M646-T1361 HydrophobicContact SD-CG2 4.35Å; Y649-T1361 HydrophobicContact CD1-CG2 4.22Å; Y649-T1361 WeakPolarHBondContact CD1-OG1 3.3Å; Y649-T1361 WeakPolarHBondContact CE1-OG1 3.07Å; V650-T1361 HydrophobicContact CG2-CG2 4.5Å; V714-T1361 HydrophobicContact CG1-CG2 4.13Å; R1356-T1361 PolarHBondContact O-OG1 3.11Å; G1357-T1361 WeakPolarHBondContact O-CB 3.26Å; G1357-T1361 PolarHBondContact O-OG1 3.37Å; T1361-G1364 PolarHBondContact O-N 3.13Å; T1361-G1365 PolarHBondContact O-N 3.09Å; T1361-G1365 VanDerWaalsContact O-N 3.14Å
1362K86.3Confident85.8Confident0 Ų023.7 Ų23.70%015%0.152CC..Hα-helixtrans-68-42.2-179.1-70.9-66.4104.41800111.8F707 A711 I1358 L1360 G1364 G1365 I1366 I1389F707-K1362 HydrophobicContact CE1-CD 4.04Å; F707-K1362 HydrophobicContact CE2-CD 4.05Å; F707-K1362 HydrophobicContact CZ-CD 3.57Å; F707-K1362 PolarHBondContact O-NZ 2.74Å; A711-K1362 HydrophobicContact CB-CD 3.55Å; A711-K1362 HydrophobicContact CB-CG 4.19Å; I1358-K1362 HydrophobicContact CG2-CG 4.14Å; I1358-K1362 VanDerWaalsContact O-CB 3.23Å; I1358-K1362 WeakPolarHBondContact O-CB 3.41Å; I1358-K1362 VanDerWaalsContact O-CG 3.24Å; I1358-K1362 WeakPolarHBondContact O-CG 3.38Å; I1358-K1362 PolarHBondContact O-N 2.85Å; L1360-K1362 PolarHBondContact O-N 2.94Å; K1362-G1364 VanDerWaalsContact C-N 3.33Å; K1362-G1364 PolarHBondContact O-N 2.94Å; K1362-G1365 PolarHBondContact O-N 3.09Å; K1362-I1366 HydrophobicContact CB-CD1 4.24Å; K1362-I1366 WeakPolarHBondContact O-CB 3.48Å; K1362-I1366 WeakPolarHBondContact O-CD1 3.44Å; K1362-I1366 WeakPolarHBondContact O-CG1 3.44Å; K1362-I1366 PolarHBondContact O-N 3.48Å; K1362-I1389 HydrophobicContact CB-CD1 3.78Å; K1362-I1389 HydrophobicContact CB-CG1 3.87Å; K1362-I1389 HydrophobicContact CB-CG2 4.22Å; K1362-I1389 HydrophobicContact CG-CD1 3.86Å; K1362-I1389 HydrophobicContact CG-CG1 4.45Å
1363L88.7Confident85.6Confident60 Ų6029.9 Ų29.931%0.31418%0.178SC..Hα-helixtrans-57.6-46.3175.3-169.976.8000111.1T1359 L1360 G1365 I1366 V1367 L1386T1359-L1363 VanDerWaalsContact O-CB 3.24Å; T1359-L1363 WeakPolarHBondContact O-CB 3.06Å; T1359-L1363 PolarHBondContact O-N 2.82Å; L1360-L1363 PolarHBondContact O-N 3.41Å; L1363-G1365 PolarHBondContact O-N 2.88Å; L1363-I1366 PolarHBondContact O-N 2.9Å; L1363-V1367 HydrophobicContact CD1-CG2 4.45Å; L1363-V1367 HydrophobicContact CG-CG2 4.29Å; L1363-V1367 WeakPolarHBondContact O-CB 3.04Å; L1363-V1367 VanDerWaalsContact O-CG2 3.26Å; L1363-V1367 WeakPolarHBondContact O-CG2 3.03Å; L1363-V1367 PolarHBondContact O-N 2.87Å; L1363-L1386 HydrophobicContact CD1-CD1 4.09Å
1364G84.4Confident85.5Confident27 Ų2729.6 Ų29.628%0.27818%0.177SC..Hα-helixtrans-57.9-45.6176.600000112.9L1360 T1361 K1362L1360-G1364 PolarHBondContact O-N 2.71Å; T1361-G1364 PolarHBondContact O-N 3.13Å; K1362-G1364 VanDerWaalsContact C-N 3.33Å; K1362-G1364 PolarHBondContact O-N 2.94Å
1365G83.9Confident85.4Confident0 Ų033.8 Ų33.80%019%0.192CC..Hα-helixtrans-66-43.6175.600000113.8S642 T1361 K1362 L1363 V1368S642-G1365 VanDerWaalsContact OG-C 3.27Å; S642-G1365 WeakPolarHBondContact OG-CA 3.43Å; S642-G1365 PolarHBondContact OG-O 2.82Å; T1361-G1365 PolarHBondContact O-N 3.09Å; T1361-G1365 VanDerWaalsContact O-N 3.14Å; K1362-G1365 PolarHBondContact O-N 3.09Å; L1363-G1365 PolarHBondContact O-N 2.88Å; G1365-V1368 PolarHBondContact O-N 2.84Å
1366I88.3Confident85.2Confident1 Ų133.8 Ų33.81%0.00519%0.192CC..Hα-helixtrans-69.3-38.1-177.1-67.7161.3000111.6F707 K1362 L1363 V1368 L1369 A1370 F1382 L1386 I1389F707-I1366 HydrophobicContact CE2-CG1 4.1Å; F707-I1366 HydrophobicContact CZ-CD1 4.02Å; F707-I1366 HydrophobicContact CZ-CG1 3.65Å; K1362-I1366 HydrophobicContact CB-CD1 4.24Å; K1362-I1366 WeakPolarHBondContact O-CB 3.48Å; K1362-I1366 WeakPolarHBondContact O-CD1 3.44Å; K1362-I1366 WeakPolarHBondContact O-CG1 3.44Å; K1362-I1366 PolarHBondContact O-N 3.48Å; L1363-I1366 PolarHBondContact O-N 2.9Å; I1366-V1368 PolarHBondContact O-N 2.92Å; I1366-L1369 WeakPolarHBondContact O-CB 3.46Å; I1366-L1369 PolarHBondContact O-N 2.91Å; I1366-A1370 PolarHBondContact O-N 2.88Å; I1366-F1382 HydrophobicContact CG2-CD2 3.68Å; I1366-F1382 HydrophobicContact CG2-CE2 4.05Å; I1366-F1382 WeakPolarHBondContact O-CD2 3.01Å; I1366-L1386 HydrophobicContact CG2-CB 4.08Å; I1366-I1389 HydrophobicContact CD1-CB 4.3Å; I1366-I1389 HydrophobicContact CD1-CG1 3.63Å
1367V88.7Confident85.1Confident84 Ų8433.2 Ų33.251%0.50919%0.191SC..Hα-helixtrans-62.6-30.8178.6168.10000111.7L1363 L1369 A1370L1363-V1367 HydrophobicContact CD1-CG2 4.45Å; L1363-V1367 HydrophobicContact CG-CG2 4.29Å; L1363-V1367 WeakPolarHBondContact O-CB 3.04Å; L1363-V1367 VanDerWaalsContact O-CG2 3.26Å; L1363-V1367 WeakPolarHBondContact O-CG2 3.03Å; L1363-V1367 PolarHBondContact O-N 2.87Å; V1367-L1369 VanDerWaalsContact C-N 3.35Å; V1367-A1370 VanDerWaalsContact O-CB 3.24Å; V1367-A1370 WeakPolarHBondContact O-CB 3.38Å; V1367-A1370 PolarHBondContact O-N 3.14Å
1368V87.9Confident85.4Confident27 Ų2736.4 Ų36.416%0.16421%0.205CC..Hα-helixtrans-65.3-37.6171.4177.90000111.7T638 I641 V645 G1365 I1366 A1370 A1371T638-V1368 HydrophobicContact CG2-CG1 4Å; T638-V1368 WeakPolarHBondContact CG2-O 3.27Å; T638-V1368 WeakPolarHBondContact O-CG1 3.41Å; I641-V1368 HydrophobicContact CB-CG1 4.12Å; I641-V1368 HydrophobicContact CG2-CG1 3.84Å; V645-V1368 HydrophobicContact CB-CG2 4.38Å; V645-V1368 HydrophobicContact CG2-CG2 4.07Å; G1365-V1368 PolarHBondContact O-N 2.84Å; I1366-V1368 PolarHBondContact O-N 2.92Å; V1368-A1370 PolarHBondContact O-N 3.33Å; V1368-A1371 WeakPolarHBondContact O-CB 3.42Å; V1368-A1371 PolarHBondContact O-N 3.2Å
1369L84.3Confident85.5Confident13 Ų1337.4 Ų37.47%0.06821%0.211CC..Hα-helixtrans-66.3-18.5178.5-56.9178.1000113.1T638 I639 I1366 V1367 A1371 S1372 F1382T638-L1369 HydrophobicContact CG2-CD2 4.47Å; I639-L1369 HydrophobicContact CG1-CD2 4.49Å; I1366-L1369 WeakPolarHBondContact O-CB 3.46Å; I1366-L1369 PolarHBondContact O-N 2.91Å; V1367-L1369 VanDerWaalsContact C-N 3.35Å; L1369-A1371 PolarHBondContact O-N 3.41Å; L1369-S1372 VanDerWaalsContact O-CB 3.32Å; L1369-S1372 WeakPolarHBondContact O-CB 3.41Å; L1369-S1372 PolarHBondContact O-N 3.24Å; L1369-S1372 VanDerWaalsContact O-N 3.1Å; L1369-F1382 HydrophobicContact CB-CB 4.34Å
1370A87.1Confident85.5Confident44 Ų4436.6 Ų36.636%0.36421%0.206SC..THydrogen-bonded Turntrans-60.4-24.3170.700000112.8I1366 V1367 V1368 F1382I1366-A1370 PolarHBondContact O-N 2.88Å; V1367-A1370 VanDerWaalsContact O-CB 3.24Å; V1367-A1370 WeakPolarHBondContact O-CB 3.38Å; V1367-A1370 PolarHBondContact O-N 3.14Å; V1368-A1370 PolarHBondContact O-N 3.33Å; A1370-F1382 HydrophobicContact CB-CD1 4.44Å; A1370-F1382 HydrophobicContact CB-CD2 3.91Å; A1370-F1382 HydrophobicContact CB-CE1 4.14Å; A1370-F1382 HydrophobicContact CB-CE2 3.59Å; A1370-F1382 HydrophobicContact CB-CG 4.34Å; A1370-F1382 HydrophobicContact CB-CZ 3.71Å
1371A87.3Confident85.5Confident75 Ų7533.7 Ų33.762%0.6219%0.19SC*.THydrogen-bonded Turntrans-91.83.6177.500000114V1368 L1369V1368-A1371 WeakPolarHBondContact O-CB 3.42Å; V1368-A1371 PolarHBondContact O-N 3.2Å; L1369-A1371 PolarHBondContact O-N 3.41Å
1372S82.7Confident85.7Confident4 Ų435.6 Ų35.63%0.02820%0.198CC..  trans-57.2142.8168.2166.50000110.3D635 L1369 S1374 Q1378D635-S1372 WeakPolarHBondContact OD1-CB 3.5Å; D635-S1372 PolarHBondContact OD1-OG 2.89Å; L1369-S1372 VanDerWaalsContact O-CB 3.32Å; L1369-S1372 WeakPolarHBondContact O-CB 3.41Å; L1369-S1372 PolarHBondContact O-N 3.24Å; L1369-S1372 VanDerWaalsContact O-N 3.1Å; S1372-S1374 PolarHBondContact O-N 2.87Å; S1372-S1374 WeakPolarHBondContact OG-CB 3.38Å; S1372-S1374 PolarHBondContact OG-N 3.48Å; S1372-Q1378 PolarHBondContact O-NE2 2.89Å
1373K79.6Confident86Confident134 Ų13439.7 Ų39.758%0.58321%0.214SC*.SBendtrans-78.2-11.6175.2-64.1-178.5-174.2168.10112.7
1374S80.2Confident86.2Confident2 Ų237 Ų371%0.01420%0.199CC..  trans-91.6125.6-170.2178.50000112.6Q631 D635 S1372 L1376 F1377 Q1378Q631-S1374 VanDerWaalsContact CD-CB 3.46Å; Q631-S1374 PolarHBondContact NE2-OG 3.16Å; D635-S1374 WeakPolarHBondContact OD2-CB 3.45Å; S1372-S1374 PolarHBondContact O-N 2.87Å; S1372-S1374 WeakPolarHBondContact OG-CB 3.38Å; S1372-S1374 PolarHBondContact OG-N 3.48Å; S1374-L1376 PolarHBondContact O-N 2.97Å; S1374-L1376 PolarHBondContact OG-N 3.14Å; S1374-F1377 PolarHBondContact O-N 3.18Å; S1374-F1377 WeakPolarHBondContact OG-CD2 3.29Å; S1374-F1377 PolarHBondContact OG-N 2.95Å; S1374-Q1378 WeakPolarHBondContact O-CB 3.43Å; S1374-Q1378 VanDerWaalsContact O-CG 3.31Å; S1374-Q1378 WeakPolarHBondContact O-CG 3.48Å; S1374-Q1378 PolarHBondContact O-N 3.49Å
1375R83.6Confident86.6Confident89 Ų8936 Ų3634%0.33619%0.187SC..Hα-helixtrans-58.4-36.6170.9-73.3-179.2173.6157.72.8111.6T1013 Q1378 I1379T1013-R1375 HydrophobicContact CG2-CG 3.95Å; R1375-Q1378 PolarHBondContact O-N 3.33Å; R1375-I1379 HydrophobicContact CB-CD1 4.33Å; R1375-I1379 VanDerWaalsContact O-CB 3.23Å; R1375-I1379 WeakPolarHBondContact O-CB 3.36Å; R1375-I1379 WeakPolarHBondContact O-CG1 3.41Å; R1375-I1379 PolarHBondContact O-N 2.7Å
1376L82.8Confident87Confident30 Ų3037.5 Ų37.516%0.15720%0.195CC..Hα-helixtrans-61.6-47178.5-167.5160.3000110.7L1308 S1374 F1380 Y1381L1308-L1376 HydrophobicContact CD1-CD1 4.17Å; L1308-L1376 HydrophobicContact CD1-CD2 4.07Å; L1308-L1376 HydrophobicContact CD1-CG 4.23Å; S1374-L1376 PolarHBondContact O-N 2.97Å; S1374-L1376 PolarHBondContact OG-N 3.14Å; L1376-F1380 HydrophobicContact CG-CD2 4.21Å; L1376-F1380 WeakPolarHBondContact O-CB 3.3Å; L1376-F1380 PolarHBondContact O-N 3.01Å; L1376-Y1381 HydrophobicContact CD2-CD2 4.01Å; L1376-Y1381 HydrophobicContact CD2-CE2 3.67Å
1377F81Confident87.2Confident18 Ų1837.6 Ų37.68%0.07920%0.196CC..Iπ-helixtrans-73-40.1177.4-66.8-63.9000113.3D635 E703 S1374 I1379 Y1381 F1382D635-F1377 HydrophobicContact CB-CD2 4.21Å; D635-F1377 HydrophobicContact CB-CE2 4.27Å; D635-F1377 VanDerWaalsContact OD2-CD2 3.25Å; D635-F1377 WeakPolarHBondContact OD2-CD2 3.15Å; E703-F1377 VanDerWaalsContact OE1-CD1 3.28Å; E703-F1377 WeakPolarHBondContact OE1-CD1 3.35Å; E703-F1377 WeakPolarHBondContact OE1-CE1 3.2Å; E703-F1377 WeakPolarHBondContact OE2-CE1 3.44Å; E703-F1377 WeakPolarHBondContact OE2-CZ 3.45Å; S1374-F1377 PolarHBondContact O-N 3.18Å; S1374-F1377 WeakPolarHBondContact OG-CD2 3.29Å; S1374-F1377 PolarHBondContact OG-N 2.95Å; F1377-I1379 VanDerWaalsContact C-N 3.31Å; F1377-I1379 PolarHBondContact O-N 3Å; F1377-Y1381 AromaticContact CD1-CD2 3.22Å; F1377-Y1381 HydrophobicContact CD1-CD2 3.22Å; F1377-Y1381 AromaticContact CD1-CE2 3.76Å; F1377-Y1381 HydrophobicContact CD1-CE2 3.76Å; F1377-Y1381 AromaticContact CD1-CG 3.8Å; F1377-Y1381 HydrophobicContact CD1-CG 3.8Å; F1377-Y1381 AromaticContact CE1-CD2 3.51Å; F1377-Y1381 HydrophobicContact CE1-CD2 3.51Å; F1377-Y1381 AromaticContact CE1-CE2 3.5Å; F1377-Y1381 HydrophobicContact CE1-CE2 3.5Å; F1377-Y1381 VanDerWaalsContact CE1-CE2 3.5Å; F1377-Y1381 HydrophobicContact CE1-CG 4.25Å; F1377-Y1381 HydrophobicContact CG-CD2 4.29Å; F1377-Y1381 CarbonylContact O-C 3.33Å; F1377-Y1381 WeakPolarHBondContact O-CB 3.33Å; F1377-Y1381 PolarHBondContact O-N 3.21Å; F1377-F1382 PolarHBondContact O-N 2.9Å
1378Q86.6Confident87.5Confident67 Ų6733.8 Ų33.831%0.31317%0.173SC..Iπ-helixtrans-58.9-40173.6-71.5177.86.800112.7S1372 S1374 R1375 R1383S1372-Q1378 PolarHBondContact O-NE2 2.89Å; S1374-Q1378 WeakPolarHBondContact O-CB 3.43Å; S1374-Q1378 VanDerWaalsContact O-CG 3.31Å; S1374-Q1378 WeakPolarHBondContact O-CG 3.48Å; S1374-Q1378 PolarHBondContact O-N 3.49Å; R1375-Q1378 PolarHBondContact O-N 3.33Å; Q1378-R1383 WeakPolarHBondContact O-CG 3.49Å; Q1378-R1383 PolarHBondContact O-N 3.45Å
1379I88.1Confident87.7Confident25 Ų2532.7 Ų32.713%0.12817%0.166CC..Iπ-helixtrans-90.4-49.9-172.9-64.3168.9000112.5L1009 I1303 R1375 F1377 R1383L1009-I1379 HydrophobicContact CD2-CD1 3.99Å; I1303-I1379 HydrophobicContact CG1-CG2 4.15Å; I1303-I1379 HydrophobicContact CG2-CG2 4.3Å; R1375-I1379 HydrophobicContact CB-CD1 4.33Å; R1375-I1379 VanDerWaalsContact O-CB 3.23Å; R1375-I1379 WeakPolarHBondContact O-CB 3.36Å; R1375-I1379 WeakPolarHBondContact O-CG1 3.41Å; R1375-I1379 PolarHBondContact O-N 2.7Å; F1377-I1379 VanDerWaalsContact C-N 3.31Å; F1377-I1379 PolarHBondContact O-N 3Å; I1379-R1383 WeakPolarHBondContact O-CB 3.03Å
1380F89Confident88.1Confident1 Ų136.4 Ų36.40%0.00419%0.186CC..Iπ-helixtrans-91.5-20.7-172.5-64.4-71.6000114L1005 L1009 I1303 N1306 N1312 L1376 M1384L1005-F1380 HydrophobicContact CD1-CE2 3.57Å; L1005-F1380 HydrophobicContact CD1-CZ 3.62Å; L1009-F1380 HydrophobicContact CD1-CE2 4.44Å; L1009-F1380 HydrophobicContact CD1-CZ 4.47Å; I1303-F1380 HydrophobicContact CG2-CD1 3.56Å; I1303-F1380 HydrophobicContact CG2-CE1 3.56Å; N1306-F1380 WeakPolarHBondContact ND2-CE1 3.48Å; N1306-F1380 VanDerWaalsContact ND2-CZ 3.33Å; N1306-F1380 WeakPolarHBondContact ND2-CZ 3.23Å; N1312-F1380 PolarHBondContact ND2-O 3.1Å; L1376-F1380 HydrophobicContact CG-CD2 4.21Å; L1376-F1380 WeakPolarHBondContact O-CB 3.3Å; L1376-F1380 PolarHBondContact O-N 3.01Å; F1380-M1384 WeakPolarHBondContact O-CB 3.43Å; F1380-M1384 VanDerWaalsContact O-CG 3.29Å; F1380-M1384 WeakPolarHBondContact O-CG 3.28Å
1381Y88.5Confident88.5Confident5 Ų536.5 Ų36.52%0.0218%0.178CC..Iπ-helixtrans-112.6-64.4-176.4-68.7-80.6000112.4V704 N1312 L1376 F1377 R1383 M1384 Y1385V704-Y1381 HydrophobicContact CG2-CD1 4.23Å; V704-Y1381 HydrophobicContact CG2-CE1 3.37Å; N1312-Y1381 VanDerWaalsContact ND2-CD1 3.28Å; N1312-Y1381 WeakPolarHBondContact ND2-CD1 3.15Å; N1312-Y1381 VanDerWaalsContact ND2-CE1 3.26Å; N1312-Y1381 WeakPolarHBondContact ND2-CE1 3.29Å; L1376-Y1381 HydrophobicContact CD2-CD2 4.01Å; L1376-Y1381 HydrophobicContact CD2-CE2 3.67Å; F1377-Y1381 AromaticContact CD1-CD2 3.22Å; F1377-Y1381 HydrophobicContact CD1-CD2 3.22Å; F1377-Y1381 AromaticContact CD1-CE2 3.76Å; F1377-Y1381 HydrophobicContact CD1-CE2 3.76Å; F1377-Y1381 AromaticContact CD1-CG 3.8Å; F1377-Y1381 HydrophobicContact CD1-CG 3.8Å; F1377-Y1381 AromaticContact CE1-CD2 3.51Å; F1377-Y1381 HydrophobicContact CE1-CD2 3.51Å; F1377-Y1381 AromaticContact CE1-CE2 3.5Å; F1377-Y1381 HydrophobicContact CE1-CE2 3.5Å; F1377-Y1381 VanDerWaalsContact CE1-CE2 3.5Å; F1377-Y1381 HydrophobicContact CE1-CG 4.25Å; F1377-Y1381 HydrophobicContact CG-CD2 4.29Å; F1377-Y1381 CarbonylContact O-C 3.33Å; F1377-Y1381 WeakPolarHBondContact O-CB 3.33Å; F1377-Y1381 PolarHBondContact O-N 3.21Å; Y1381-R1383 PolarHBondContact O-N 2.81Å; Y1381-M1384 PolarHBondContact O-N 2.93Å; Y1381-Y1385 HydrophobicContact CD1-CE1 4.32Å; Y1381-Y1385 AromaticContact CD1-CE2 3.85Å; Y1381-Y1385 HydrophobicContact CD1-CE2 3.85Å; Y1381-Y1385 AromaticContact CD1-CZ 3.62Å; Y1381-Y1385 WeakPolarHBondContact CD1-OH 3.4Å; Y1381-Y1385 WeakPolarHBondContact CE1-OH 3.48Å; Y1381-Y1385 VanDerWaalsContact O-CB 3.24Å; Y1381-Y1385 WeakPolarHBondContact O-CB 3.17Å; Y1381-Y1385 VanDerWaalsContact O-CG 3.3Å; Y1381-Y1385 PolarHBondContact O-N 2.89Å
1382F90.4Very high88.8Confident42 Ų4233 Ų3318%0.18415%0.148CC..Iπ-helixtrans-53.1-56178.8165.3-112000112.1I1366 L1369 A1370 F1377 L1386I1366-F1382 HydrophobicContact CG2-CD2 3.68Å; I1366-F1382 HydrophobicContact CG2-CE2 4.05Å; I1366-F1382 WeakPolarHBondContact O-CD2 3.01Å; L1369-F1382 HydrophobicContact CB-CB 4.34Å; A1370-F1382 HydrophobicContact CB-CD1 4.44Å; A1370-F1382 HydrophobicContact CB-CD2 3.91Å; A1370-F1382 HydrophobicContact CB-CE1 4.14Å; A1370-F1382 HydrophobicContact CB-CE2 3.59Å; A1370-F1382 HydrophobicContact CB-CG 4.34Å; A1370-F1382 HydrophobicContact CB-CZ 3.71Å; F1377-F1382 PolarHBondContact O-N 2.9Å; F1382-L1386 HydrophobicContact CE2-CD2 4.1Å; F1382-L1386 HydrophobicContact CZ-CD2 3.85Å; F1382-L1386 WeakPolarHBondContact O-CB 3.47Å; F1382-L1386 PolarHBondContact O-N 2.88Å
1383R92.8Very high89.3Confident86 Ų8633.3 Ų33.333%0.32515%0.151SC..Hα-helixtrans-61.6-47.7178.7-80.1179.6-162.5-171.51.8113.1W1301 I1303 Q1378 I1379 Y1381 S1387W1301-R1383 HydrophobicContact CE3-CB 3.66Å; W1301-R1383 HydrophobicContact CE3-CG 3.67Å; W1301-R1383 HydrophobicContact CZ3-CB 3.73Å; W1301-R1383 HydrophobicContact CZ3-CG 3.8Å; W1301-R1383 PolarHBondContact O-NH1 2.71Å; I1303-R1383 HydrophobicContact CD1-CB 3.96Å; Q1378-R1383 WeakPolarHBondContact O-CG 3.49Å; Q1378-R1383 PolarHBondContact O-N 3.45Å; I1379-R1383 WeakPolarHBondContact O-CB 3.03Å; Y1381-R1383 PolarHBondContact O-N 2.81Å; R1383-S1387 WeakPolarHBondContact O-CB 3.46Å; R1383-S1387 PolarHBondContact O-N 3.28Å
1384M93.2Very high90Very high2 Ų232.4 Ų32.41%0.0115%0.148CC..Hα-helixtrans-67.2-40.3-177.6-66.9-169.166.400112.1V1294 M1298 I1303 N1312 L1313 F1380 Y1381 S1387 M1388V1294-M1384 HydrophobicContact CG1-CE 4.38Å; M1298-M1384 HydrophobicContact CE-CE 4.46Å; M1298-M1384 HydrophobicContact CG-CE 4.11Å; M1298-M1384 HydrophobicContact SD-CE 3.56Å; M1298-M1384 VanDerWaalsContact SD-CE 3.56Å; M1298-M1384 HydrophobicContact SD-SD 4.45Å; I1303-M1384 HydrophobicContact CD1-CG 3.9Å; I1303-M1384 HydrophobicContact CG2-CG 4.38Å; I1303-M1384 HydrophobicContact CG2-SD 4.12Å; N1312-M1384 HydrophobicContact CB-CE 3.7Å; N1312-M1384 HydrophobicContact CB-SD 3.97Å; L1313-M1384 HydrophobicContact CD2-CE 4.46Å; L1313-M1384 HydrophobicContact CG-CE 4.22Å; F1380-M1384 WeakPolarHBondContact O-CB 3.43Å; F1380-M1384 VanDerWaalsContact O-CG 3.29Å; F1380-M1384 WeakPolarHBondContact O-CG 3.28Å; Y1381-M1384 PolarHBondContact O-N 2.93Å; M1384-S1387 PolarHBondContact O-N 2.97Å; M1384-M1388 VanDerWaalsContact O-CB 3.28Å; M1384-M1388 WeakPolarHBondContact O-CB 3.39Å; M1384-M1388 PolarHBondContact O-N 3.1Å
1385Y91.9Very high90.7Very high7 Ų732.3 Ų32.33%0.02715%0.147CC..Hα-helixtrans-74.2-36.3178.9-65.7-5.6000111.9V704 F707 N1312 Y1381 S1387 M1388 I1389V704-Y1385 VanDerWaalsContact CG1-OH 3.26Å; V704-Y1385 WeakPolarHBondContact CG1-OH 3.42Å; F707-Y1385 AromaticContact CD1-CD2 3.98Å; F707-Y1385 HydrophobicContact CD1-CD2 3.98Å; F707-Y1385 AromaticContact CD1-CE2 3.73Å; F707-Y1385 HydrophobicContact CD1-CE2 3.73Å; F707-Y1385 AromaticContact CE1-CD2 3.47Å; F707-Y1385 HydrophobicContact CE1-CD2 3.47Å; F707-Y1385 VanDerWaalsContact CE1-CD2 3.47Å; F707-Y1385 AromaticContact CE1-CE2 3.71Å; F707-Y1385 HydrophobicContact CE1-CE2 3.71Å; F707-Y1385 HydrophobicContact CE1-CG 4.27Å; F707-Y1385 AromaticContact CZ-CD2 4Å; F707-Y1385 HydrophobicContact CZ-CD2 4Å; N1312-Y1385 HydrophobicContact CB-CE1 4.02Å; N1312-Y1385 VanDerWaalsContact CG-CE1 3.47Å; N1312-Y1385 VanDerWaalsContact OD1-CE1 3.3Å; N1312-Y1385 WeakPolarHBondContact OD1-CE1 3.17Å; N1312-Y1385 PolarHBondContact OD1-OH 2.9Å; Y1381-Y1385 HydrophobicContact CD1-CE1 4.32Å; Y1381-Y1385 AromaticContact CD1-CE2 3.85Å; Y1381-Y1385 HydrophobicContact CD1-CE2 3.85Å; Y1381-Y1385 AromaticContact CD1-CZ 3.62Å; Y1381-Y1385 WeakPolarHBondContact CD1-OH 3.4Å; Y1381-Y1385 WeakPolarHBondContact CE1-OH 3.48Å; Y1381-Y1385 VanDerWaalsContact O-CB 3.24Å; Y1381-Y1385 WeakPolarHBondContact O-CB 3.17Å; Y1381-Y1385 VanDerWaalsContact O-CG 3.3Å; Y1381-Y1385 PolarHBondContact O-N 2.89Å; Y1385-S1387 VanDerWaalsContact C-N 3.33Å; Y1385-S1387 PolarHBondContact O-N 3.01Å; Y1385-M1388 HydrophobicContact CD1-CE 3.56Å; Y1385-M1388 HydrophobicContact CE1-CE 3.81Å; Y1385-M1388 PolarHBondContact O-N 3Å; Y1385-I1389 WeakPolarHBondContact O-CB 3.37Å; Y1385-I1389 WeakPolarHBondContact O-CG1 3.48Å; Y1385-I1389 PolarHBondContact O-N 3.15Å
1386L93.1Very high91.1Very high32 Ų3228 Ų2817%0.16813%0.131CC..Hα-helixtrans-59-46.5170.3-178.463.4000110.6W1301 L1363 I1366 F1382 L1390W1301-L1386 HydrophobicContact CH2-CD2 4.46Å; L1363-L1386 HydrophobicContact CD1-CD1 4.09Å; I1366-L1386 HydrophobicContact CG2-CB 4.08Å; F1382-L1386 HydrophobicContact CE2-CD2 4.1Å; F1382-L1386 HydrophobicContact CZ-CD2 3.85Å; F1382-L1386 WeakPolarHBondContact O-CB 3.47Å; F1382-L1386 PolarHBondContact O-N 2.88Å; L1386-L1390 HydrophobicContact CD1-CD1 3.81Å; L1386-L1390 HydrophobicContact CD1-CG 4.13Å; L1386-L1390 HydrophobicContact CG-CD1 3.88Å; L1386-L1390 VanDerWaalsContact O-CB 3.29Å; L1386-L1390 WeakPolarHBondContact O-CB 3.37Å; L1386-L1390 WeakPolarHBondContact O-CG 3.41Å; L1386-L1390 PolarHBondContact O-N 2.94Å
1387S93.1Very high91.6Very high3 Ų327.1 Ų27.12%0.02113%0.126CC..Hα-helixtrans-59.9-51174.3-173.90000111.8V1297 R1383 M1384 Y1385 I1389 L1390 F1391V1297-S1387 WeakPolarHBondContact CB-OG 3.07Å; R1383-S1387 WeakPolarHBondContact O-CB 3.46Å; R1383-S1387 PolarHBondContact O-N 3.28Å; M1384-S1387 PolarHBondContact O-N 2.97Å; Y1385-S1387 VanDerWaalsContact C-N 3.33Å; Y1385-S1387 PolarHBondContact O-N 3.01Å; S1387-I1389 PolarHBondContact O-N 3.13Å; S1387-L1390 PolarHBondContact O-N 3.27Å; S1387-F1391 WeakPolarHBondContact O-CB 3.31Å; S1387-F1391 WeakPolarHBondContact O-CD2 3.17Å; S1387-F1391 PolarHBondContact O-N 3.45Å
1388M93.3Very high92.2Very high4 Ų428 Ų282%0.0213%0.131CC..Hα-helixtrans-56.3-46.2180-175.3-161.1-58.600112.9V1294 N1312 V1315 A1316 I1319 M1384 Y1385 G1392V1294-M1388 HydrophobicContact CG2-CB 4.28Å; N1312-M1388 WeakPolarHBondContact O-CE 3.5Å; V1315-M1388 HydrophobicContact CB-CE 4.31Å; V1315-M1388 HydrophobicContact CG1-CE 3.94Å; V1315-M1388 HydrophobicContact CG1-SD 4.31Å; A1316-M1388 HydrophobicContact CB-CE 3.89Å; A1316-M1388 HydrophobicContact CB-CG 4.03Å; A1316-M1388 HydrophobicContact CB-SD 4.35Å; I1319-M1388 HydrophobicContact CB-SD 4.06Å; I1319-M1388 HydrophobicContact CD1-SD 3.9Å; I1319-M1388 HydrophobicContact CG1-SD 4.48Å; I1319-M1388 HydrophobicContact CG2-SD 4.17Å; M1384-M1388 VanDerWaalsContact O-CB 3.28Å; M1384-M1388 WeakPolarHBondContact O-CB 3.39Å; M1384-M1388 PolarHBondContact O-N 3.1Å; Y1385-M1388 HydrophobicContact CD1-CE 3.56Å; Y1385-M1388 HydrophobicContact CE1-CE 3.81Å; Y1385-M1388 PolarHBondContact O-N 3Å; M1388-G1392 WeakPolarHBondContact O-CA 3.36Å; M1388-G1392 PolarHBondContact O-N 2.8Å
1389I92.9Very high92.6Very high4 Ų425 Ų252%0.02112%0.118CC..Hα-helixtrans-74.9-37.8-179.1-63.2-61.5000111.7I1319 F1323 I1358 T1359 K1362 I1366 Y1385 S1387 A1393I1319-I1389 HydrophobicContact CG2-CD1 4.15Å; F1323-I1389 HydrophobicContact CE2-CD1 4.05Å; F1323-I1389 HydrophobicContact CZ-CD1 4.11Å; F1323-I1389 HydrophobicContact CZ-CG2 4.48Å; I1358-I1389 HydrophobicContact CG2-CD1 4.24Å; T1359-I1389 HydrophobicContact CG2-CG2 4.26Å; K1362-I1389 HydrophobicContact CB-CD1 3.78Å; K1362-I1389 HydrophobicContact CB-CG1 3.87Å; K1362-I1389 HydrophobicContact CB-CG2 4.22Å; K1362-I1389 HydrophobicContact CG-CD1 3.86Å; K1362-I1389 HydrophobicContact CG-CG1 4.45Å; I1366-I1389 HydrophobicContact CD1-CB 4.3Å; I1366-I1389 HydrophobicContact CD1-CG1 3.63Å; Y1385-I1389 WeakPolarHBondContact O-CB 3.37Å; Y1385-I1389 WeakPolarHBondContact O-CG1 3.48Å; Y1385-I1389 PolarHBondContact O-N 3.15Å; S1387-I1389 PolarHBondContact O-N 3.13Å; I1389-A1393 VanDerWaalsContact O-CB 3.28Å; I1389-A1393 WeakPolarHBondContact O-CB 3.4Å; I1389-A1393 PolarHBondContact O-N 2.03Å
1390L93.9Very high93Very high91 Ų9123.9 Ų23.948%0.47611%0.111SC..Hα-helixtrans-66.3-50.4175.5-71.3175.6000111.5L1386 S1387 A1393 F1394L1386-L1390 HydrophobicContact CD1-CD1 3.81Å; L1386-L1390 HydrophobicContact CD1-CG 4.13Å; L1386-L1390 HydrophobicContact CG-CD1 3.88Å; L1386-L1390 VanDerWaalsContact O-CB 3.29Å; L1386-L1390 WeakPolarHBondContact O-CB 3.37Å; L1386-L1390 WeakPolarHBondContact O-CG 3.41Å; L1386-L1390 PolarHBondContact O-N 2.94Å; S1387-L1390 PolarHBondContact O-N 3.27Å; L1390-A1393 PolarHBondContact O-N 3Å; L1390-F1394 VanDerWaalsContact O-CB 3.28Å; L1390-F1394 WeakPolarHBondContact O-CB 3.27Å; L1390-F1394 PolarHBondContact O-N 3.09Å
1391F95.1Very high93.2Very high46 Ų4623.8 Ų23.820%0.20211%0.111CC..Hα-helixtrans-68.9-32.4177.1-79.4-79.2000112.5W989 I1290 S1293 V1297 S1387 T1395W989-F1391 AromaticContact CE2-CE1 3.65Å; W989-F1391 AromaticContact CE2-CZ 3.78Å; W989-F1391 HydrophobicContact CH2-CZ 4.04Å; W989-F1391 AromaticContact CZ2-CE1 3.76Å; W989-F1391 HydrophobicContact CZ2-CE1 3.76Å; W989-F1391 HydrophobicContact CZ2-CE2 4.29Å; W989-F1391 AromaticContact CZ2-CZ 3.37Å; W989-F1391 HydrophobicContact CZ2-CZ 3.37Å; W989-F1391 AromaticContact NE1-CE1 3.51Å; I1290-F1391 HydrophobicContact CG2-CB 4.39Å; S1293-F1391 VanDerWaalsContact CB-CD1 3.44Å; V1297-F1391 HydrophobicContact CG2-CE2 3.71Å; V1297-F1391 HydrophobicContact CG2-CZ 4.33Å; S1387-F1391 WeakPolarHBondContact O-CB 3.31Å; S1387-F1391 WeakPolarHBondContact O-CD2 3.17Å; S1387-F1391 PolarHBondContact O-N 3.45Å; F1391-T1395 WeakPolarHBondContact O-CB 3.34Å; F1391-T1395 PolarHBondContact O-N 2.63Å; F1391-T1395 PolarHBondContact O-OG1 3.3Å
1392G93.8Very high93.5Very high0 Ų023.6 Ų23.60%011%0.11CC..Hα-helixtrans-59.9-53.5170.800000112F1323 M1388 T1395 G1396F1323-G1392 VanDerWaalsContact CD1-C 3.48Å; F1323-G1392 WeakPolarHBondContact CD1-O 3.35Å; M1388-G1392 WeakPolarHBondContact O-CA 3.36Å; M1388-G1392 PolarHBondContact O-N 2.8Å; G1392-T1395 PolarHBondContact O-N 3Å; G1392-G1396 PolarHBondContact O-N 3.5Å
1393A92.7Very high93.7Very high11 Ų1122.7 Ų22.79%0.09111%0.106CC..Hα-helixtrans-63.9-43.1177.600000112.5F1323 T1359 I1389 L1390 L1397F1323-A1393 HydrophobicContact CE1-CB 4.01Å; T1359-A1393 HydrophobicContact CG2-CB 3.74Å; I1389-A1393 VanDerWaalsContact O-CB 3.28Å; I1389-A1393 WeakPolarHBondContact O-CB 3.4Å; I1389-A1393 PolarHBondContact O-N 2.03Å; L1390-A1393 PolarHBondContact O-N 3Å; A1393-L1397 HydrophobicContact CB-CD1 4.29Å; A1393-L1397 WeakPolarHBondContact O-CB 3.02Å; A1393-L1397 VanDerWaalsContact O-CG 3.26Å; A1393-L1397 WeakPolarHBondContact O-CG 3.18Å; A1393-L1397 PolarHBondContact O-N 2.97Å
1394F94Very high93.8Very high115 Ų11518.6 Ų18.650%0.5049%0.091SC..Hα-helixtrans-66.1-39.8178.7-147-80.4000111.7L1390 I1398 I1399L1390-F1394 VanDerWaalsContact O-CB 3.28Å; L1390-F1394 WeakPolarHBondContact O-CB 3.27Å; L1390-F1394 PolarHBondContact O-N 3.09Å; F1394-I1398 HydrophobicContact CD1-CB 4.3Å; F1394-I1398 HydrophobicContact CD1-CD1 4.02Å; F1394-I1398 HydrophobicContact CD2-CD1 3.96Å; F1394-I1398 HydrophobicContact CE1-CB 4.42Å; F1394-I1398 HydrophobicContact CE1-CD1 3.9Å; F1394-I1398 HydrophobicContact CE1-CG2 4.45Å; F1394-I1398 HydrophobicContact CE2-CD1 3.83Å; F1394-I1398 HydrophobicContact CG-CD1 4.06Å; F1394-I1398 HydrophobicContact CZ-CD1 3.8Å; F1394-I1398 VanDerWaalsContact O-CB 3.3Å; F1394-I1398 WeakPolarHBondContact O-CB 3.46Å; F1394-I1398 PolarHBondContact O-N 3.31Å; F1394-I1398 VanDerWaalsContact O-N 3.1Å; F1394-I1399 HydrophobicContact CD1-CD1 4.21Å; F1394-I1399 HydrophobicContact CD1-CG1 4.24Å; F1394-I1399 PolarHBondContact O-N 2.7Å
1395T94.7Very high93.8Very high0 Ų018.8 Ų18.80%09%0.092CC..Iπ-helixtrans-70.7-48.9178-540000110.7Y1289 I1290 F1391 G1392 I1399 L1400Y1289-T1395 HydrophobicContact CD1-CG2 4.07Å; Y1289-T1395 WeakPolarHBondContact CD1-OG1 3.4Å; Y1289-T1395 HydrophobicContact CG-CG2 4.47Å; I1290-T1395 HydrophobicContact CD1-CG2 4.22Å; I1290-T1395 HydrophobicContact CG1-CG2 3.99Å; I1290-T1395 WeakPolarHBondContact CG1-OG1 3.48Å; F1391-T1395 WeakPolarHBondContact O-CB 3.34Å; F1391-T1395 PolarHBondContact O-N 2.63Å; F1391-T1395 PolarHBondContact O-OG1 3.3Å; G1392-T1395 PolarHBondContact O-N 3Å; T1395-I1399 HydrophobicContact CG2-CB 4.42Å; T1395-I1399 PolarHBondContact O-N 3.49Å; T1395-L1400 WeakPolarHBondContact O-CB 3.47Å; T1395-L1400 PolarHBondContact O-N 3.06Å
1396G92.4Very high93.7Very high0 Ų019.5 Ų19.50%010%0.095CC..Iπ-helixtrans-63.1-46.4179.200000113.4I1327 G1392 P1401I1327-G1396 WeakPolarHBondContact CD1-O 3.34Å; G1392-G1396 PolarHBondContact O-N 3.5Å; G1396-P1401 WeakPolarHBondContact O-CD 3.33Å; G1396-P1401 WeakPolarHBondContact O-CG 3.16Å
1397L93.2Very high93.6Very high11 Ų1122.5 Ų22.56%0.05811%0.11CC..Iπ-helixtrans-90.7-21.2-170.4-56.8168.9000114.5L1347 I1354 L1355 A1393L1347-L1397 HydrophobicContact CD1-CB 4.35Å; L1347-L1397 HydrophobicContact CD1-CD2 4.07Å; L1347-L1397 WeakPolarHBondContact CD1-O 3.45Å; I1354-L1397 HydrophobicContact CB-CD2 4.5Å; I1354-L1397 HydrophobicContact CG2-CD2 4.27Å; L1355-L1397 HydrophobicContact CD1-CD1 4.18Å; L1355-L1397 HydrophobicContact CD2-CD1 3.42Å; L1355-L1397 VanDerWaalsContact CD2-CD1 3.42Å; L1355-L1397 HydrophobicContact CG-CD1 3.58Å; A1393-L1397 HydrophobicContact CB-CD1 4.29Å; A1393-L1397 WeakPolarHBondContact O-CB 3.02Å; A1393-L1397 VanDerWaalsContact O-CG 3.26Å; A1393-L1397 WeakPolarHBondContact O-CG 3.18Å; A1393-L1397 PolarHBondContact O-N 2.97Å
1398I94.5Very high93.3Very high36 Ų3622.4 Ų22.419%0.18511%0.109CC..Iπ-helixtrans-121.5-53.9-173.6-46.8-176.8000111.8I973 I982 F1394 V1402I973-I1398 HydrophobicContact CD1-CB 4.27Å; I973-I1398 HydrophobicContact CD1-CG1 3.9Å; I973-I1398 HydrophobicContact CD1-CG2 4.14Å; I973-I1398 HydrophobicContact CG1-CG2 4.33Å; I973-I1398 HydrophobicContact CG2-CG2 4.36Å; I982-I1398 HydrophobicContact CD1-CG2 3.96Å; I982-I1398 HydrophobicContact CG1-CG2 4.43Å; I982-I1398 HydrophobicContact CG2-CG2 4.27Å; F1394-I1398 HydrophobicContact CD1-CB 4.3Å; F1394-I1398 HydrophobicContact CD1-CD1 4.02Å; F1394-I1398 HydrophobicContact CD2-CD1 3.96Å; F1394-I1398 HydrophobicContact CE1-CB 4.42Å; F1394-I1398 HydrophobicContact CE1-CD1 3.9Å; F1394-I1398 HydrophobicContact CE1-CG2 4.45Å; F1394-I1398 HydrophobicContact CE2-CD1 3.83Å; F1394-I1398 HydrophobicContact CG-CD1 4.06Å; F1394-I1398 HydrophobicContact CZ-CD1 3.8Å; F1394-I1398 VanDerWaalsContact O-CB 3.3Å; F1394-I1398 WeakPolarHBondContact O-CB 3.46Å; F1394-I1398 PolarHBondContact O-N 3.31Å; F1394-I1398 VanDerWaalsContact O-N 3.1Å; I1398-V1402 VanDerWaalsContact O-CG2 3.26Å; I1398-V1402 WeakPolarHBondContact O-CG2 3.29Å
1399I94.8Very high93Very high5 Ų522.5 Ų22.53%0.02611%0.111CC..Iπ-helixtrans-76.1-54-172.4-54.3178.1000110.8F1285 Y1289 F1394 T1395 V1402 Y1403F1285-I1399 HydrophobicContact CE1-CG2 4.48Å; Y1289-I1399 HydrophobicContact CD1-CD1 4.13Å; Y1289-I1399 HydrophobicContact CE1-CD1 3.37Å; Y1289-I1399 HydrophobicContact CE2-CD1 4.41Å; F1394-I1399 HydrophobicContact CD1-CD1 4.21Å; F1394-I1399 HydrophobicContact CD1-CG1 4.24Å; F1394-I1399 PolarHBondContact O-N 2.7Å; T1395-I1399 HydrophobicContact CG2-CB 4.42Å; T1395-I1399 PolarHBondContact O-N 3.49Å; I1399-V1402 PolarHBondContact O-N 2.95Å; I1399-V1402 VanDerWaalsContact O-N 3.13Å; I1399-Y1403 HydrophobicContact CG2-CD2 3.66Å; I1399-Y1403 HydrophobicContact CG2-CE2 3.63Å; I1399-Y1403 WeakPolarHBondContact O-CD2 3.26Å; I1399-Y1403 PolarHBondContact O-N 3.08Å
1400L94.7Very high92.4Very high0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-58.8-42.8-176.1-177.863.1000113.3M1282 C1324 I1327 V1328 T1395 V1402 Y1403 L1404M1282-L1400 HydrophobicContact CB-CD1 4.32Å; C1324-L1400 HydrophobicContact CB-CD2 3.93Å; I1327-L1400 HydrophobicContact CB-CD2 4.4Å; I1327-L1400 HydrophobicContact CG2-CD2 4.49Å; V1328-L1400 HydrophobicContact CG2-CD1 4.34Å; V1328-L1400 HydrophobicContact CG2-CD2 4.12Å; T1395-L1400 WeakPolarHBondContact O-CB 3.47Å; T1395-L1400 PolarHBondContact O-N 3.06Å; L1400-V1402 VanDerWaalsContact C-N 3.33Å; L1400-V1402 PolarHBondContact O-N 3.47Å; L1400-Y1403 PolarHBondContact O-N 2.63Å; L1400-L1404 HydrophobicContact CD1-CD1 4.41Å; L1400-L1404 HydrophobicContact CD1-CG 4.3Å; L1400-L1404 HydrophobicContact CG-CD1 4.09Å; L1400-L1404 HydrophobicContact CG-CG 4.45Å; L1400-L1404 WeakPolarHBondContact O-CB 3.18Å; L1400-L1404 VanDerWaalsContact O-CG 3.27Å; L1400-L1404 WeakPolarHBondContact O-CG 3.09Å; L1400-L1404 PolarHBondContact O-N 3.46Å
1401P94.4Very high91.7Very high0 Ų029.1 Ų29.10%014%0.137CC..Hα-helixtrans-66.2-35.1176.3-21.435.9000112.1L1347 G1396 S1405L1347-P1401 HydrophobicContact CD1-CG 4.25Å; L1347-P1401 HydrophobicContact CD2-CB 4.31Å; L1347-P1401 HydrophobicContact CD2-CG 4.29Å; G1396-P1401 WeakPolarHBondContact O-CD 3.33Å; G1396-P1401 WeakPolarHBondContact O-CG 3.16Å; P1401-S1405 WeakPolarHBondContact O-CB 3.38Å; P1401-S1405 PolarHBondContact O-N 2.94Å
1402V95.3Very high90.7Very high0 Ų028.2 Ų28.20%014%0.135CC..Hα-helixtrans-67.2-43.9173.9172.70000110.8I973 R979 I982 I983 I1398 I1399 L1400 S1405 Y1406I973-V1402 HydrophobicContact CG2-CG2 3.52Å; R979-V1402 HydrophobicContact CB-CG1 4.24Å; R979-V1402 HydrophobicContact CG-CG1 4.28Å; R979-V1402 HydrophobicContact CG-CG2 4.32Å; I982-V1402 HydrophobicContact CB-CG1 4.47Å; I982-V1402 HydrophobicContact CD1-CG2 3.95Å; I982-V1402 HydrophobicContact CG2-CB 4.28Å; I982-V1402 HydrophobicContact CG2-CG1 4.28Å; I982-V1402 HydrophobicContact CG2-CG2 4.17Å; I983-V1402 HydrophobicContact CD1-CG1 3.82Å; I983-V1402 HydrophobicContact CG1-CG1 3.75Å; I1398-V1402 VanDerWaalsContact O-CG2 3.26Å; I1398-V1402 WeakPolarHBondContact O-CG2 3.29Å; I1399-V1402 PolarHBondContact O-N 2.95Å; I1399-V1402 VanDerWaalsContact O-N 3.13Å; L1400-V1402 VanDerWaalsContact C-N 3.33Å; L1400-V1402 PolarHBondContact O-N 3.47Å; V1402-S1405 WeakPolarHBondContact O-CB 3.46Å; V1402-S1405 PolarHBondContact O-N 3.09Å; V1402-S1405 PolarHBondContact O-OG 3.06Å; V1402-Y1406 WeakPolarHBondContact O-CD2 3.17Å; V1402-Y1406 PolarHBondContact O-N 3.39Å
1403Y94.5Very high89.5Confident24 Ų2434.2 Ų34.29%0.09417%0.166CC..Hα-helixtrans-65.4-42.4175.4-85-108.6000111.9I983 S986 F1285 I1399 L1400 S1405 Y1406 L1407I983-Y1403 HydrophobicContact CG1-CD2 4.27Å; I983-Y1403 HydrophobicContact CG1-CE2 3.85Å; S986-Y1403 WeakPolarHBondContact OG-CE2 3.47Å; S986-Y1403 PolarHBondContact OG-OH 2.78Å; F1285-Y1403 HydrophobicContact CD1-CD1 4.34Å; F1285-Y1403 AromaticContact CE1-CD1 3.56Å; F1285-Y1403 HydrophobicContact CE1-CD1 3.56Å; F1285-Y1403 HydrophobicContact CE1-CD2 4.03Å; F1285-Y1403 AromaticContact CE1-CE1 3.85Å; F1285-Y1403 HydrophobicContact CE1-CE1 3.85Å; F1285-Y1403 HydrophobicContact CE1-CE2 4.28Å; F1285-Y1403 AromaticContact CE1-CG 3.66Å; F1285-Y1403 HydrophobicContact CE1-CG 3.66Å; F1285-Y1403 HydrophobicContact CE2-CD1 4.43Å; F1285-Y1403 HydrophobicContact CE2-CE1 4.06Å; F1285-Y1403 AromaticContact CZ-CD1 3.63Å; F1285-Y1403 HydrophobicContact CZ-CD1 3.63Å; F1285-Y1403 HydrophobicContact CZ-CD2 4.27Å; F1285-Y1403 AromaticContact CZ-CE1 3.39Å; F1285-Y1403 HydrophobicContact CZ-CE1 3.39Å; F1285-Y1403 HydrophobicContact CZ-CE2 4.06Å; F1285-Y1403 HydrophobicContact CZ-CG 4.07Å; F1285-Y1403 AromaticContact CZ-CZ 3.61Å; I1399-Y1403 HydrophobicContact CG2-CD2 3.66Å; I1399-Y1403 HydrophobicContact CG2-CE2 3.63Å; I1399-Y1403 WeakPolarHBondContact O-CD2 3.26Å; I1399-Y1403 PolarHBondContact O-N 3.08Å; L1400-Y1403 PolarHBondContact O-N 2.63Å; Y1403-S1405 VanDerWaalsContact C-N 3.3Å; Y1403-S1405 PolarHBondContact O-N 3.21Å; Y1403-Y1406 PolarHBondContact O-N 3.31Å; Y1403-Y1406 VanDerWaalsContact O-N 3.13Å; Y1403-L1407 HydrophobicContact CD1-CD1 4.32Å; Y1403-L1407 PolarHBondContact O-N 3.28Å
1404L94.1Very high88.2Confident0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-58-40172.6-74.6169.6000112.3M1282 I1327 V1328 F1331 L1400 Y1406 G1408M1282-L1404 HydrophobicContact CB-CD2 4.07Å; M1282-L1404 HydrophobicContact CG-CD2 3.82Å; M1282-L1404 HydrophobicContact SD-CD2 4.23Å; I1327-L1404 HydrophobicContact CG2-CD1 4.14Å; V1328-L1404 HydrophobicContact CG2-CD1 4.37Å; V1328-L1404 HydrophobicContact CG2-CD2 4.46Å; F1331-L1404 HydrophobicContact CB-CD1 4.21Å; F1331-L1404 HydrophobicContact CD1-CD2 4.05Å; F1331-L1404 HydrophobicContact CD2-CB 4.08Å; F1331-L1404 HydrophobicContact CD2-CD1 4.22Å; F1331-L1404 HydrophobicContact CE1-CD2 4.28Å; F1331-L1404 HydrophobicContact CE2-CB 3.93Å; F1331-L1404 HydrophobicContact CG-CD1 4.18Å; F1331-L1404 HydrophobicContact CG-CD2 4.21Å; F1331-L1404 HydrophobicContact CZ-CB 4.27Å; L1400-L1404 HydrophobicContact CD1-CD1 4.41Å; L1400-L1404 HydrophobicContact CD1-CG 4.3Å; L1400-L1404 HydrophobicContact CG-CD1 4.09Å; L1400-L1404 HydrophobicContact CG-CG 4.45Å; L1400-L1404 WeakPolarHBondContact O-CB 3.18Å; L1400-L1404 VanDerWaalsContact O-CG 3.27Å; L1400-L1404 WeakPolarHBondContact O-CG 3.09Å; L1400-L1404 PolarHBondContact O-N 3.46Å; L1404-Y1406 PolarHBondContact O-N 3.38Å; L1404-Y1406 VanDerWaalsContact O-N 3.16Å; L1404-G1408 WeakPolarHBondContact O-CA 3.33Å; L1404-G1408 PolarHBondContact O-N 3.31Å
1405S93.5Very high86.9Confident5 Ų530.5 Ų30.54%0.03515%0.154CC..Hα-helixtrans-62.5-20.7178.481.20000114.2R979 P1401 V1402 Y1403R979-S1405 PolarHBondContact NE-OG 3.22Å; R979-S1405 PolarHBondContact NH2-O 2.95Å; R979-S1405 PolarHBondContact NH2-OG 3.08Å; P1401-S1405 WeakPolarHBondContact O-CB 3.38Å; P1401-S1405 PolarHBondContact O-N 2.94Å; V1402-S1405 WeakPolarHBondContact O-CB 3.46Å; V1402-S1405 PolarHBondContact O-N 3.09Å; V1402-S1405 PolarHBondContact O-OG 3.06Å; Y1403-S1405 VanDerWaalsContact C-N 3.3Å; Y1403-S1405 PolarHBondContact O-N 3.21Å
1406Y90.3Very high85.2Confident23 Ų2332.5 Ų32.59%0.0917%0.168CC..Hα-helixtrans-100.7-49.8172.9-78.8-84.2000112.3Y282 Q283 R979 I983 R1339 V1402 Y1403 L1404Y282-Y1406 HydrophobicContact CE1-CD1 4.24Å; Y282-Y1406 HydrophobicContact CE1-CE1 4.21Å; Q283-Y1406 PolarHBondContact NE2-OH 3.44Å; R979-Y1406 HydrophobicContact CB-CE2 4.07Å; I983-Y1406 HydrophobicContact CD1-CD2 3.55Å; I983-Y1406 HydrophobicContact CD1-CE2 3.49Å; I983-Y1406 VanDerWaalsContact CD1-CE2 3.49Å; I983-Y1406 HydrophobicContact CD1-CG 4.49Å; R1339-Y1406 PolarHBondContact NH1-O 3.1Å; V1402-Y1406 WeakPolarHBondContact O-CD2 3.17Å; V1402-Y1406 PolarHBondContact O-N 3.39Å; Y1403-Y1406 PolarHBondContact O-N 3.31Å; Y1403-Y1406 VanDerWaalsContact O-N 3.13Å; L1404-Y1406 PolarHBondContact O-N 3.38Å; L1404-Y1406 VanDerWaalsContact O-N 3.16Å
1407L90.1Very high83.4Confident95 Ų9537.3 Ų37.350%0.49720%0.201SC..Hα-helixtrans-112-12.8-162.8-60.1178.9000114.7V1278 M1282 Y1403V1278-L1407 WeakPolarHBondContact CG1-O 3.29Å; M1282-L1407 HydrophobicContact CE-CB 3.5Å; M1282-L1407 VanDerWaalsContact CE-CB 3.5Å; M1282-L1407 HydrophobicContact CE-CD1 4.17Å; M1282-L1407 HydrophobicContact CE-CG 4.5Å; M1282-L1407 HydrophobicContact SD-CB 4.45Å; Y1403-L1407 HydrophobicContact CD1-CD1 4.32Å; Y1403-L1407 PolarHBondContact O-N 3.28Å
1408G87.2Confident81.5Confident0 Ų040.1 Ų40.10%022%0.222CC..SBendtrans-58.9161.3-173.100000114.2R1339 L1404R1339-G1408 PolarHBondContact NE-O 2.87Å; R1339-G1408 PolarHBondContact NH2-O 3.49Å; L1404-G1408 WeakPolarHBondContact O-CA 3.33Å; L1404-G1408 PolarHBondContact O-N 3.31Å
1409P85.7Confident79.4Confident7 Ų745.4 Ų45.45%0.04524%0.24CC..PPolyproline II helixtrans-54.9151.9-175.719.9-32000113.8D1276 V1278 A1279 F1331 T1332 R1342D1276-P1409 WeakPolarHBondContact OD2-CB 3.48Å; V1278-P1409 HydrophobicContact CB-CB 4.28Å; V1278-P1409 HydrophobicContact CG1-CB 4.45Å; A1279-P1409 HydrophobicContact CB-CG 4.29Å; F1331-P1409 HydrophobicContact CD1-CG 4.08Å; F1331-P1409 HydrophobicContact CE1-CG 4.01Å; T1332-P1409 HydrophobicContact CG2-CG 3.64Å; R1342-P1409 PolarHBondContact NH2-O 2.83Å
1410K82.2Confident76.5Confident181 Ų18150.5 Ų50.579%0.78727%0.273SS*.PPolyproline II helixtrans-65.9163174.3-68.4-174.1179-1780110.1N1412K1410-N1412 PolarHBondContact O-N 3.08Å
1411L79.2Confident73.6Confident52 Ų5258 Ų5827%0.27231%0.308SS..PPolyproline II helixtrans-63.6125.1177.4177.765.3000110.1L1413L1411-L1413 HydrophobicContact CD2-CD2 4.2Å; L1411-L1413 PolarHBondContact O-N 2.9Å
1412N73.4Confident70.6Confident27 Ų2764.4 Ų64.414%0.14435%0.347CS..  trans-8198.5174.2-172.5-10.1000110.1A332 K1410 A1414 M1415 S1416A332-N1412 PolarHBondContact O-ND2 3.38Å; K1410-N1412 PolarHBondContact O-N 3.08Å; N1412-A1414 PolarHBondContact O-N 3.48Å; N1412-A1414 VanDerWaalsContact O-N 3.15Å; N1412-A1414 WeakPolarHBondContact OD1-CB 3.47Å; N1412-A1414 PolarHBondContact OD1-N 3.47Å; N1412-A1414 VanDerWaalsContact OD1-N 3.07Å; N1412-M1415 HydrophobicContact CB-CB 4.27Å; N1412-M1415 HydrophobicContact CB-CG 4.09Å; N1412-M1415 HydrophobicContact CB-SD 3.93Å; N1412-M1415 PolarHBondContact ND2-SD 3.13Å; N1412-M1415 VanDerWaalsContact ND2-SD 3.43Å; N1412-M1415 PolarHBondContact O-N 2.92Å; N1412-S1416 PolarHBondContact O-N 2.99Å; N1412-S1416 VanDerWaalsContact O-N 3.15Å
1413L68.4Low67.6Low126 Ų12671.8 Ų71.866%0.6638%0.384SS*.Hα-helixtrans-57.6-28.1-179.6-64.4173.2000113.4L1411 M1415 S1416 S1417L1411-L1413 HydrophobicContact CD2-CD2 4.2Å; L1411-L1413 PolarHBondContact O-N 2.9Å; L1413-M1415 VanDerWaalsContact C-N 3.34Å; L1413-S1416 WeakPolarHBondContact O-CB 3.49Å; L1413-S1416 PolarHBondContact O-N 3.45Å; L1413-S1417 PolarHBondContact O-N 3.4Å; L1413-S1417 PolarHBondContact O-OG 3.36Å
1414A65.1Low64.5Low29 Ų2977.2 Ų77.224%0.2442%0.415CS..Hα-helixtrans-71.7-27.3176.600000113.2A336 N1412 S1417 S1418A336-A1414 HydrophobicContact CB-CB 3.95Å; N1412-A1414 PolarHBondContact O-N 3.48Å; N1412-A1414 VanDerWaalsContact O-N 3.15Å; N1412-A1414 WeakPolarHBondContact OD1-CB 3.47Å; N1412-A1414 PolarHBondContact OD1-N 3.47Å; N1412-A1414 VanDerWaalsContact OD1-N 3.07Å; A1414-S1417 WeakPolarHBondContact CA-OG 3.47Å; A1414-S1417 PolarHBondContact O-OG 2.94Å; A1414-S1417 VanDerWaalsContact O-OG 3.06Å; A1414-S1418 PolarHBondContact O-OG 3.27Å
1415M67.2Low61.4Low20 Ų2085.8 Ų85.810%0.09946%0.455CS..Hα-helixtrans-81.3-28.5172.6-63175.475.800111.4T335 A336 I1333 N1412 L1413 S1418T335-M1415 HydrophobicContact CG2-SD 4.38Å; A336-M1415 HydrophobicContact CB-CG 3.83Å; I1333-M1415 HydrophobicContact CB-CE 4.5Å; I1333-M1415 HydrophobicContact CG1-CE 3.85Å; N1412-M1415 HydrophobicContact CB-CB 4.27Å; N1412-M1415 HydrophobicContact CB-CG 4.09Å; N1412-M1415 HydrophobicContact CB-SD 3.93Å; N1412-M1415 PolarHBondContact ND2-SD 3.13Å; N1412-M1415 VanDerWaalsContact ND2-SD 3.43Å; N1412-M1415 PolarHBondContact O-N 2.92Å; L1413-M1415 VanDerWaalsContact C-N 3.34Å; M1415-S1418 WeakPolarHBondContact CA-OG 3.48Å; M1415-S1418 PolarHBondContact O-OG 3.45Å
1416S59.4Low58.3Low41 Ų4191.4 Ų91.429%0.28749%0.491SS..Hα-helixtrans-66.9-42.8170.2-170.10000112N1412 L1413 S1418N1412-S1416 PolarHBondContact O-N 2.99Å; N1412-S1416 VanDerWaalsContact O-N 3.15Å; L1413-S1416 WeakPolarHBondContact O-CB 3.49Å; L1413-S1416 PolarHBondContact O-N 3.45Å; S1416-S1418 VanDerWaalsContact C-N 3.25Å; S1416-S1418 PolarHBondContact O-N 3.15Å
1417S54Low55.4Low101 Ų10197.3 Ų97.371%0.70653%0.525SS*.THydrogen-bonded Turntrans-71.5-10.7-179.157.20000115.7L1413 A1414L1413-S1417 PolarHBondContact O-N 3.4Å; L1413-S1417 PolarHBondContact O-OG 3.36Å; A1414-S1417 WeakPolarHBondContact CA-OG 3.47Å; A1414-S1417 PolarHBondContact O-OG 2.94Å; A1414-S1417 VanDerWaalsContact O-OG 3.06Å
1418S53.9Low52.8Low70 Ų70104.1 Ų104.149%0.4954%0.543SS..THydrogen-bonded Turntrans-102.2-6.6-175.540.50000114.4A1414 M1415 S1416A1414-S1418 PolarHBondContact O-OG 3.27Å; M1415-S1418 WeakPolarHBondContact CA-OG 3.48Å; M1415-S1418 PolarHBondContact O-OG 3.45Å; S1416-S1418 VanDerWaalsContact C-N 3.25Å; S1416-S1418 PolarHBondContact O-N 3.15Å
1419R49Very low50.7Low148 Ų148110.6 Ų110.656%0.55858%0.578SS**SBendtrans-99.7120.2165.9-74.2-175.5171.8-172.9-2.6109.6
1420P35.6Very low48.4Very low111 Ų111117.4 Ų117.472%0.72161%0.614SS**  trans-65.6141.4172.827.9-33.6000110.5T1422P1420-T1422 PolarHBondContact O-N 3.35Å
1421H33.4Very low46.2Very low159 Ų159116.4 Ų116.474%0.73662%0.617SS**  trans-66.691179.5-80.7-84.7000112.1I1423H1421-I1423 PolarHBondContact O-N 3.4Å
1422T31.5Very low44.2Very low133 Ų133125.6 Ų125.682%0.81665%0.648SS**  trans-82.228.3169.346.10000113.3P1420P1420-T1422 PolarHBondContact O-N 3.35Å
1423I31.7Very low42.4Very low155 Ų155128.1 Ų128.180%0.79567%0.673SS**SBendtrans-125.871.3161.9-51179.6000107.7H1421H1421-I1423 PolarHBondContact O-N 3.4Å
1424N28.9Very low40.7Very low139 Ų139131.2 Ų131.274%0.74368%0.683SS**SBendtrans-157.9143.2160.5-95.8-47.5000106.3
1425H28.8Very low39.1Very low179 Ų179133 Ų13383%0.82970%0.704SS**  trans-57.2144.8-179.3-78.4-100.4000111.1N1427H1425-N1427 VanDerWaalsContact C-N 3.3Å; H1425-N1427 PolarHBondContact O-N 3.26Å
1426P28.9Very low37.5Very low123 Ų123137.5 Ų137.580%0.79974%0.738SS**  trans-65.591.6176.427.3-34.2000109.7R1428P1426-R1428 PolarHBondContact O-N 3.14Å
1427N30.8Very low36.1Very low148 Ų148147.9 Ų147.979%0.79177%0.77SS**  trans-65.2128.3-173-140.2-17.3000109.2H1425 N1429H1425-N1427 VanDerWaalsContact C-N 3.3Å; H1425-N1427 PolarHBondContact O-N 3.26Å; N1427-N1429 PolarHBondContact O-N 2.89Å
1428R35.5Very low35Very low237 Ų237148.3 Ų148.389%0.89477%0.773SS**THydrogen-bonded Turntrans-70.57.9-137.4-148.8171.8-177.3169.9-0.4117.1P1426P1426-R1428 PolarHBondContact O-N 3.14Å
1429N42.1Very low33.9Very low136 Ų136158.1 Ų158.173%0.72781%0.812SS**THydrogen-bonded Turntrans-121.4-16.6-155.5-64.7-13000116.3N1427N1427-N1429 PolarHBondContact O-N 2.89Å
1430N38.1Very low33.1Very low151 Ų151158.6 Ų158.681%0.80782%0.824SS**  trans-93.42.9-168-76.52.3000116.2R1432N1430-R1432 PolarHBondContact O-N 3.1Å
1431L35.7Very low33Very low159 Ų159161.1 Ų161.183%0.83283%0.83SS**THydrogen-bonded Turntrans-76.528.7-175-109.3162.5000115
1432R36.3Very low33Very low245 Ų245161.2 Ų161.293%0.92584%0.835SS**THydrogen-bonded Turntrans-119.1-0.9-173.5-92.8-173.3175.8-177.70116.4N1430N1430-R1432 PolarHBondContact O-N 3.1Å
1433A35.7Very low33.1Very low81 Ų81162.9 Ų162.967%0.66984%0.836SS**  trans-136.584.9-175.700000112.7
1434H33.7Very low33.1Very low191 Ų191163.4 Ų163.488%0.88484%0.838SS**  trans-174.153.2139.2-101.7-62.7000112.3
1435G29.9Very low33.4Very low65 Ų65165 Ų16567%0.6785%0.845SS**  trans-77.1148.4151.700000109.4
1436S35.2Very low33.8Very low116 Ų116164 Ų16481%0.81185%0.846SS**  trans68.697.7-177.173.30000116.9
1437R29.9Very low34.1Very low258 Ų258167.2 Ų167.297%0.97485%0.85SS**  -157.9143.695.5-145170-176.8150-0110
1438S30.9Very low34.4Very low110 Ų110168.8 Ų168.877%0.76985%0.854SS**  trans-119.6127.5-175.552.60000111.1
1439E29.8Very low34.3Very low276 Ų276162.5 Ų162.5100%1.2985%0.851SS**  trans-165.40143.9-108.3168.7-164.300108.8

Retrieved 1,439 of 1,439 residues in 961.3 ms (Link to these results)

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