A0A087XDB6_POEFO Loading...

Cytohesin 4b

AlphaFold DB , UniProt , Accession A0A087XDB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 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
1M60.7Low80.3Confident197 Ų197125.6 Ų125.697%0.9760%0.598SS**  0-710-103.4165.665.800110.2K3 K4 D5M1-K3 PolarHBondContact O-N 3.31Å; M1-K4 WeakPolarHBondContact O-CB 3.49Å; M1-K4 PolarHBondContact O-N 3.06Å; M1-D5 PolarHBondContact O-N 3.27Å
2Y69.3Low81Confident193 Ų193126.8 Ų126.876%0.75760%0.599SS**Hα-helixtrans-47.3-43.5-172.9-130.5-96.7000117.4K4 L6Y2-K4 VanDerWaalsContact C-N 3.34Å; Y2-K4 PolarHBondContact O-N 2.93Å; Y2-L6 HydrophobicContact CD1-CD1 3.67Å; Y2-L6 HydrophobicContact CE1-CD1 3.95Å; Y2-L6 WeakPolarHBondContact O-CD1 3.43Å; Y2-L6 PolarHBondContact O-N 3.09Å; Y2-L6 VanDerWaalsContact O-N 3.09Å
3K76.9Confident81.5Confident176 Ų176124.6 Ų124.677%0.76559%0.593SS**Hα-helixtrans-70.6-28.3-179-164.5178.8-178.9-177.70113.5M1 L7M1-K3 PolarHBondContact O-N 3.31Å; K3-L7 WeakPolarHBondContact O-CD1 3.39Å; K3-L7 WeakPolarHBondContact O-CG 3.44Å; K3-L7 PolarHBondContact O-N 3.47Å
4K80.9Confident81.9Confident146 Ų146125.8 Ų125.864%0.63559%0.594SS**Hα-helixtrans-78.2-42.5178.8-169.5175.9178.8176.70110.1M1 Y2 L6 L7 D8M1-K4 WeakPolarHBondContact O-CB 3.49Å; M1-K4 PolarHBondContact O-N 3.06Å; Y2-K4 VanDerWaalsContact C-N 3.34Å; Y2-K4 PolarHBondContact O-N 2.93Å; K4-L6 VanDerWaalsContact C-N 3.33Å; K4-L6 PolarHBondContact O-N 3.45Å; K4-L7 WeakPolarHBondContact O-CB 3.41Å; K4-L7 PolarHBondContact O-N 3Å; K4-L7 VanDerWaalsContact O-N 3.1Å; K4-D8 PolarHBondContact O-N 3.37Å
5D81.4Confident82.2Confident78 Ų78125.9 Ų125.942%0.41760%0.599SS.*Hα-helixtrans-61.4-42.6175.6-55.3-31.6000111M1 L7 D8 D9M1-D5 PolarHBondContact O-N 3.27Å; D5-L7 VanDerWaalsContact C-N 3.32Å; D5-L7 PolarHBondContact O-N 3.02Å; D5-D8 PolarHBondContact O-N 3.1Å; D5-D9 PolarHBondContact O-N 2.93Å
6L83.7Confident82.6Confident86 Ų86125.1 Ų125.145%0.4560%0.595SS.*Hα-helixtrans-62.2-35173.6-105.9119.8000113.7Y2 K4 I10Y2-L6 HydrophobicContact CD1-CD1 3.67Å; Y2-L6 HydrophobicContact CE1-CD1 3.95Å; Y2-L6 WeakPolarHBondContact O-CD1 3.43Å; Y2-L6 PolarHBondContact O-N 3.09Å; Y2-L6 VanDerWaalsContact O-N 3.09Å; K4-L6 VanDerWaalsContact C-N 3.33Å; K4-L6 PolarHBondContact O-N 3.45Å; L6-I10 WeakPolarHBondContact O-CB 3.18Å; L6-I10 WeakPolarHBondContact O-CD1 3.44Å; L6-I10 WeakPolarHBondContact O-CG1 3.39Å; L6-I10 PolarHBondContact O-N 3.26Å
7L84.8Confident82.8Confident99 Ų99123.5 Ų123.552%0.51859%0.589SS.*Hα-helixtrans-71.4-38.8177.8-84.2162.6000111.4K3 K4 D5 I10 Q11K3-L7 WeakPolarHBondContact O-CD1 3.39Å; K3-L7 WeakPolarHBondContact O-CG 3.44Å; K3-L7 PolarHBondContact O-N 3.47Å; K4-L7 WeakPolarHBondContact O-CB 3.41Å; K4-L7 PolarHBondContact O-N 3Å; K4-L7 VanDerWaalsContact O-N 3.1Å; D5-L7 VanDerWaalsContact C-N 3.32Å; D5-L7 PolarHBondContact O-N 3.02Å; L7-I10 PolarHBondContact O-N 2.99Å; L7-Q11 PolarHBondContact O-N 2.95Å
8D86.9Confident83Confident84 Ų84121.6 Ų121.645%0.44958%0.583SS.*Hα-helixtrans-65.9-42.2175-74.6-3.8000110.6K4 D5 Q11 K12K4-D8 PolarHBondContact O-N 3.37Å; D5-D8 PolarHBondContact O-N 3.1Å; D8-Q11 PolarHBondContact O-N 3.38Å; D8-K12 WeakPolarHBondContact O-CB 3.49Å; D8-K12 PolarHBondContact O-N 3.47Å
9D87.7Confident83.2Confident96 Ų96120.3 Ų120.351%0.51358%0.58SS.*Hα-helixtrans-63.3-42.5175.4-76-19.5000112.3D5 Q11 K12 L13D5-D9 PolarHBondContact O-N 2.93Å; D9-Q11 VanDerWaalsContact C-N 3.33Å; D9-Q11 PolarHBondContact O-N 3.28Å; D9-K12 PolarHBondContact O-N 3.01Å; D9-L13 WeakPolarHBondContact O-CG 3.46Å; D9-L13 PolarHBondContact O-N 3.24Å
10I85.9Confident83.4Confident96 Ų96118.2 Ų118.249%0.49257%0.574SS.*Hα-helixtrans-62.6-41.4175-71.9165.6000110.8L6 L7 K12 K14L6-I10 WeakPolarHBondContact O-CB 3.18Å; L6-I10 WeakPolarHBondContact O-CD1 3.44Å; L6-I10 WeakPolarHBondContact O-CG1 3.39Å; L6-I10 PolarHBondContact O-N 3.26Å; L7-I10 PolarHBondContact O-N 2.99Å; I10-K12 VanDerWaalsContact C-N 3.32Å; I10-K14 WeakPolarHBondContact O-CB 3.45Å; I10-K14 PolarHBondContact O-N 2.92Å
11Q85.1Confident83.3Confident131 Ų131117.4 Ų117.461%0.61257%0.57SS**Hα-helixtrans-63.2-40.5175.6-96.2-176.2-22.200111.9L7 D8 D9 K14 L15L7-Q11 PolarHBondContact O-N 2.95Å; D8-Q11 PolarHBondContact O-N 3.38Å; D9-Q11 VanDerWaalsContact C-N 3.33Å; D9-Q11 PolarHBondContact O-N 3.28Å; Q11-K14 PolarHBondContact O-N 3.04Å; Q11-L15 PolarHBondContact O-N 3.32Å
12K88.9Confident84.2Confident139 Ų139110.6 Ų110.660%0.60455%0.546SS*.Hα-helixtrans-65.3-46179.4-148.3177.9-174-176.30111.8D8 D9 I10 K14 L15 E16D8-K12 WeakPolarHBondContact O-CB 3.49Å; D8-K12 PolarHBondContact O-N 3.47Å; D9-K12 PolarHBondContact O-N 3.01Å; I10-K12 VanDerWaalsContact C-N 3.32Å; K12-K14 VanDerWaalsContact C-N 3.29Å; K12-K14 PolarHBondContact O-N 2.96Å; K12-L15 WeakPolarHBondContact O-CB 3.26Å; K12-L15 PolarHBondContact O-N 2.97Å; K12-E16 PolarHBondContact O-N 2.93Å
13L87.4Confident84.8Confident99 Ų99106.8 Ų106.852%0.51854%0.535SS..Hα-helixtrans-61.1-38.3174.5-74.7169.4000112D9 L15 E16 I17D9-L13 WeakPolarHBondContact O-CG 3.46Å; D9-L13 PolarHBondContact O-N 3.24Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-E16 PolarHBondContact O-N 3.48Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å; L13-I17 PolarHBondContact O-N 3.21Å
14K86.4Confident84.7Confident141 Ų141102.3 Ų102.361%0.61352%0.519SS*.Hα-helixtrans-64.7-40.6177.1-155176.1-174.8-174.60111.8I10 Q11 K12 I17 D18I10-K14 WeakPolarHBondContact O-CB 3.45Å; I10-K14 PolarHBondContact O-N 2.92Å; Q11-K14 PolarHBondContact O-N 3.04Å; K12-K14 VanDerWaalsContact C-N 3.29Å; K12-K14 PolarHBondContact O-N 2.96Å; K14-I17 PolarHBondContact O-N 3.5Å; K14-D18 VanDerWaalsContact O-CG 3.3Å; K14-D18 PolarHBondContact O-N 3.4Å
15L86.5Confident84.5Confident128 Ų128100.7 Ų100.767%0.6752%0.516SS*.Hα-helixtrans-66.4-39.1176.4-126.5141.2000112.2Q11 K12 L13 N19Q11-L15 PolarHBondContact O-N 3.32Å; K12-L15 WeakPolarHBondContact O-CB 3.26Å; K12-L15 PolarHBondContact O-N 2.97Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L15-N19 WeakPolarHBondContact O-CB 3.3Å; L15-N19 PolarHBondContact O-N 3.05Å
16E89.6Confident84.2Confident113 Ų113100 Ų10053%0.52852%0.517SS..Hα-helixtrans-64.4-43.8173.1-76.7176.9-179.800111.7K12 L13 D18 N19 V20K12-E16 PolarHBondContact O-N 2.93Å; L13-E16 PolarHBondContact O-N 3.48Å; E16-D18 PolarHBondContact O-N 3.36Å; E16-N19 PolarHBondContact O-N 2.94Å; E16-V20 VanDerWaalsContact O-CG2 3.3Å; E16-V20 WeakPolarHBondContact O-CG2 3.48Å; E16-V20 PolarHBondContact O-N 3.29Å
17I85.6Confident83.8Confident98 Ų98101.8 Ų101.850%0.50352%0.522SS..Hα-helixtrans-61.3-45.5176.6-71.8166.3000111.2L13 K14 N19 V20 M21L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å; L13-I17 PolarHBondContact O-N 3.21Å; K14-I17 PolarHBondContact O-N 3.5Å; I17-N19 VanDerWaalsContact C-N 3.3Å; I17-N19 PolarHBondContact O-N 2.92Å; I17-V20 PolarHBondContact O-N 3.35Å; I17-M21 HydrophobicContact CG2-CE 3.82Å; I17-M21 WeakPolarHBondContact O-CG 3.42Å; I17-M21 PolarHBondContact O-N 3.42Å
18D86.8Confident83.2Confident89 Ų89102 Ų10248%0.47652%0.52SS..Hα-helixtrans-63.5-37.5179.1-71.1-21.9000111.4K14 E16 M21 A22K14-D18 VanDerWaalsContact O-CG 3.3Å; K14-D18 PolarHBondContact O-N 3.4Å; E16-D18 PolarHBondContact O-N 3.36Å; D18-M21 PolarHBondContact O-N 3.27Å; D18-A22 PolarHBondContact O-N 3.49Å
19N86.1Confident82.4Confident97 Ų97100.5 Ų100.552%0.51952%0.516SS..Hα-helixtrans-69.1-42.2177.2-16053.1000112.1L15 E16 I17 M21 A22 E23L15-N19 WeakPolarHBondContact O-CB 3.3Å; L15-N19 PolarHBondContact O-N 3.05Å; E16-N19 PolarHBondContact O-N 2.94Å; I17-N19 VanDerWaalsContact C-N 3.3Å; I17-N19 PolarHBondContact O-N 2.92Å; N19-M21 VanDerWaalsContact C-N 3.35Å; N19-M21 PolarHBondContact O-N 3.41Å; N19-A22 PolarHBondContact O-N 3Å; N19-E23 PolarHBondContact O-N 2.99Å
20V87.4Confident81.7Confident77 Ų7799 Ų9947%0.46751%0.51SS..Hα-helixtrans-63.4-40.6175171.50000111.1E16 I17 A22 E23 I24E16-V20 VanDerWaalsContact O-CG2 3.3Å; E16-V20 WeakPolarHBondContact O-CG2 3.48Å; E16-V20 PolarHBondContact O-N 3.29Å; I17-V20 PolarHBondContact O-N 3.35Å; V20-A22 VanDerWaalsContact C-N 3.35Å; V20-A22 PolarHBondContact O-N 3.33Å; V20-E23 PolarHBondContact O-N 3.49Å; V20-I24 HydrophobicContact CG1-CD1 3.92Å; V20-I24 VanDerWaalsContact O-CG1 3.3Å; V20-I24 WeakPolarHBondContact O-CG1 3.3Å; V20-I24 PolarHBondContact O-N 3.04Å
21M81.6Confident81.2Confident102 Ų10298.3 Ų98.350%0.50251%0.505SS..Hα-helixtrans-64.1-39175.5-77.3-155.8-84.100112.3I17 D18 N19 I24 L25I17-M21 HydrophobicContact CG2-CE 3.82Å; I17-M21 WeakPolarHBondContact O-CG 3.42Å; I17-M21 PolarHBondContact O-N 3.42Å; D18-M21 PolarHBondContact O-N 3.27Å; N19-M21 VanDerWaalsContact C-N 3.35Å; N19-M21 PolarHBondContact O-N 3.41Å; M21-I24 PolarHBondContact O-N 3.09Å; M21-L25 WeakPolarHBondContact O-CG 3.35Å; M21-L25 PolarHBondContact O-N 3.48Å; M21-L25 VanDerWaalsContact O-N 3.09Å
22A80.2Confident80.6Confident55 Ų5598.4 Ų98.446%0.45551%0.506SS..Hα-helixtrans-64.8-40.3175.200000112.3D18 N19 V20 S26D18-A22 PolarHBondContact O-N 3.49Å; N19-A22 PolarHBondContact O-N 3Å; V20-A22 VanDerWaalsContact C-N 3.35Å; V20-A22 PolarHBondContact O-N 3.33Å; A22-S26 WeakPolarHBondContact O-CB 3.39Å; A22-S26 PolarHBondContact O-N 2.89Å
23E80.2Confident80.1Confident112 Ų11296.3 Ų96.352%0.52350%0.501SS..Hα-helixtrans-63-43.8174.9-76.1179.3-173.900111.8N19 V20 S26 F27N19-E23 PolarHBondContact O-N 2.99Å; V20-E23 PolarHBondContact O-N 3.49Å; E23-S26 PolarHBondContact O-N 3.15Å; E23-S26 PolarHBondContact O-OG 2.91Å; E23-F27 WeakPolarHBondContact O-CB 3.46Å; E23-F27 PolarHBondContact O-N 3.37Å
24I76.3Confident79.7Confident83 Ų8397.3 Ų97.343%0.42650%0.501SS..Hα-helixtrans-59.5-49.6177-69.9166.3000111V20 M21 S26 F27 E28V20-I24 HydrophobicContact CG1-CD1 3.92Å; V20-I24 VanDerWaalsContact O-CG1 3.3Å; V20-I24 WeakPolarHBondContact O-CG1 3.3Å; V20-I24 PolarHBondContact O-N 3.04Å; M21-I24 PolarHBondContact O-N 3.09Å; I24-S26 VanDerWaalsContact C-N 3.31Å; I24-S26 PolarHBondContact O-N 2.75Å; I24-F27 PolarHBondContact O-N 3.28Å; I24-F27 VanDerWaalsContact O-N 3.15Å; I24-E28 HydrophobicContact CG2-CG 4.45Å; I24-E28 WeakPolarHBondContact O-CG 3.47Å; I24-E28 PolarHBondContact O-N 3.01Å
25L75.6Confident79.4Confident112 Ų11294 Ų9459%0.58649%0.493SS*.Hα-helixtrans-62.8-37.7179-69168.3000112.1M21 S29M21-L25 WeakPolarHBondContact O-CG 3.35Å; M21-L25 PolarHBondContact O-N 3.48Å; M21-L25 VanDerWaalsContact O-N 3.09Å; L25-S29 PolarHBondContact O-N 3.06Å; L25-S29 PolarHBondContact O-OG 3.29Å
26S75.9Confident79.2Confident62 Ų6292.7 Ų92.743%0.43449%0.485SS..Hα-helixtrans-67.5-37.7175.280.20000112.3A22 E23 I24 S29 T30A22-S26 WeakPolarHBondContact O-CB 3.39Å; A22-S26 PolarHBondContact O-N 2.89Å; E23-S26 PolarHBondContact O-N 3.15Å; E23-S26 PolarHBondContact O-OG 2.91Å; I24-S26 VanDerWaalsContact C-N 3.31Å; I24-S26 PolarHBondContact O-N 2.75Å; S26-S29 PolarHBondContact O-OG 2.87Å; S26-T30 WeakPolarHBondContact O-CG2 3.43Å; S26-T30 PolarHBondContact O-N 3.12Å; S26-T30 PolarHBondContact O-OG1 2.91Å
27F75.1Confident78.8Confident125 Ų12592 Ų9255%0.54848%0.482SS..Hα-helixtrans-68.4-44.3177.4-175.2-97.9000111E23 I24 S29 T30 E31E23-F27 WeakPolarHBondContact O-CB 3.46Å; E23-F27 PolarHBondContact O-N 3.37Å; I24-F27 PolarHBondContact O-N 3.28Å; I24-F27 VanDerWaalsContact O-N 3.15Å; F27-S29 PolarHBondContact O-N 3.24Å; F27-T30 WeakPolarHBondContact CA-OG1 3.5Å; F27-T30 PolarHBondContact O-N 3.48Å; F27-T30 PolarHBondContact O-OG1 2.91Å; F27-E31 HydrophobicContact CD1-CG 4.13Å; F27-E31 HydrophobicContact CE1-CG 3.7Å; F27-E31 HydrophobicContact CE2-CG 4.4Å; F27-E31 HydrophobicContact CZ-CG 3.84Å; F27-E31 WeakPolarHBondContact O-CB 3.39Å; F27-E31 WeakPolarHBondContact O-CG 3.44Å; F27-E31 PolarHBondContact O-N 3.34Å
28E71.8Confident78.8Confident104 Ų10493.1 Ų93.149%0.48648%0.483SS..Hα-helixtrans-59-47.7175.2-73175.3168.300111.6I24 T30 E31 E32I24-E28 HydrophobicContact CG2-CG 4.45Å; I24-E28 WeakPolarHBondContact O-CG 3.47Å; I24-E28 PolarHBondContact O-N 3.01Å; E28-T30 VanDerWaalsContact C-N 3.31Å; E28-T30 PolarHBondContact O-N 3.35Å; E28-E31 PolarHBondContact O-N 2.92Å; E28-E32 WeakPolarHBondContact O-CB 3.41Å; E28-E32 WeakPolarHBondContact O-CG 3.45Å; E28-E32 PolarHBondContact O-N 2.89Å
29S71.1Confident78.7Confident51 Ų5193.2 Ų93.236%0.35748%0.484SS..Hα-helixtrans-65.4-31.117867.80000113.8L25 S26 F27 N33L25-S29 PolarHBondContact O-N 3.06Å; L25-S29 PolarHBondContact O-OG 3.29Å; S26-S29 PolarHBondContact O-OG 2.87Å; F27-S29 PolarHBondContact O-N 3.24Å; S29-N33 WeakPolarHBondContact O-CB 3.37Å; S29-N33 PolarHBondContact O-N 3.06Å; S29-N33 VanDerWaalsContact O-N 3.12Å; S29-N33 PolarHBondContact O-ND2 2.86Å
30T73.1Confident78.5Confident65 Ų6595 Ų9540%0.39949%0.489SS..Hα-helixtrans-77.8-36.2176.847.30000112.2S26 F27 E28 K34S26-T30 WeakPolarHBondContact O-CG2 3.43Å; S26-T30 PolarHBondContact O-N 3.12Å; S26-T30 PolarHBondContact O-OG1 2.91Å; F27-T30 WeakPolarHBondContact CA-OG1 3.5Å; F27-T30 PolarHBondContact O-N 3.48Å; F27-T30 PolarHBondContact O-OG1 2.91Å; E28-T30 VanDerWaalsContact C-N 3.31Å; E28-T30 PolarHBondContact O-N 3.35Å; T30-K34 VanDerWaalsContact O-CG 3.28Å; T30-K34 WeakPolarHBondContact O-CG 3.46Å; T30-K34 PolarHBondContact O-N 3.04Å
31E75.2Confident78.5Confident82 Ų8297 Ų9738%0.38349%0.489SS..Hα-helixtrans-64.9-41.8171.2-77.6-72.3118.700112F27 E28 K34 T35F27-E31 HydrophobicContact CD1-CG 4.13Å; F27-E31 HydrophobicContact CE1-CG 3.7Å; F27-E31 HydrophobicContact CE2-CG 4.4Å; F27-E31 HydrophobicContact CZ-CG 3.84Å; F27-E31 WeakPolarHBondContact O-CB 3.39Å; F27-E31 WeakPolarHBondContact O-CG 3.44Å; F27-E31 PolarHBondContact O-N 3.34Å; E28-E31 PolarHBondContact O-N 2.92Å; E31-K34 PolarHBondContact O-N 2.96Å; E31-K34 IonicContact OE1-NZ 3.82Å; E31-K34 PolarHBondContact OE1-NZ 3.42Å; E31-T35 WeakPolarHBondContact O-CB 3.45Å; E31-T35 PolarHBondContact O-N 2.83Å; E31-T35 PolarHBondContact O-OG1 3.43Å
32E72.6Confident79Confident133 Ų13394.3 Ų94.362%0.62147%0.474SS*.Hα-helixtrans-61.1-47.5174.1-79.4-174.9163.100111.7E28 K34 T35 I36E28-E32 WeakPolarHBondContact O-CB 3.41Å; E28-E32 WeakPolarHBondContact O-CG 3.45Å; E28-E32 PolarHBondContact O-N 2.89Å; E32-K34 PolarHBondContact O-N 3.15Å; E32-T35 WeakPolarHBondContact O-CB 3.34Å; E32-T35 PolarHBondContact O-N 3.44Å; E32-T35 VanDerWaalsContact O-N 3.15Å; E32-I36 WeakPolarHBondContact O-CG1 3.32Å; E32-I36 PolarHBondContact O-N 3.43Å
33N77.8Confident79.1Confident95 Ų9596.3 Ų96.351%0.50848%0.477SS..Hα-helixtrans-62.2-41.7178.1-79.6-45.7000112.6S29 T35 I36 E37S29-N33 WeakPolarHBondContact O-CB 3.37Å; S29-N33 PolarHBondContact O-N 3.06Å; S29-N33 VanDerWaalsContact O-N 3.12Å; S29-N33 PolarHBondContact O-ND2 2.86Å; N33-T35 VanDerWaalsContact C-N 3.29Å; N33-T35 PolarHBondContact O-N 2.99Å; N33-I36 PolarHBondContact O-N 3.33Å; N33-E37 PolarHBondContact O-N 2.94Å
34K79.7Confident79.2Confident119 Ų11994.4 Ų94.452%0.51747%0.47SS..Hα-helixtrans-61.9-38.7174.3-74.4172-169.3165.90112T30 E31 E32 E37 K38T30-K34 VanDerWaalsContact O-CG 3.28Å; T30-K34 WeakPolarHBondContact O-CG 3.46Å; T30-K34 PolarHBondContact O-N 3.04Å; E31-K34 PolarHBondContact O-N 2.96Å; E31-K34 IonicContact OE1-NZ 3.82Å; E31-K34 PolarHBondContact OE1-NZ 3.42Å; E32-K34 PolarHBondContact O-N 3.15Å; K34-E37 PolarHBondContact O-N 3.47Å; K34-K38 VanDerWaalsContact O-CB 3.32Å; K34-K38 WeakPolarHBondContact O-CB 3.45Å; K34-K38 PolarHBondContact O-N 3.35Å
35T80.3Confident79.7Confident71 Ų7190.5 Ų90.544%0.43645%0.45SS..Hα-helixtrans-66-43.5178.6-59.40000111E31 E32 N33 K38 N39E31-T35 WeakPolarHBondContact O-CB 3.45Å; E31-T35 PolarHBondContact O-N 2.83Å; E31-T35 PolarHBondContact O-OG1 3.43Å; E32-T35 WeakPolarHBondContact O-CB 3.34Å; E32-T35 PolarHBondContact O-N 3.44Å; E32-T35 VanDerWaalsContact O-N 3.15Å; N33-T35 VanDerWaalsContact C-N 3.29Å; N33-T35 PolarHBondContact O-N 2.99Å; T35-K38 PolarHBondContact O-N 2.92Å; T35-N39 WeakPolarHBondContact O-CB 3.5Å; T35-N39 VanDerWaalsContact O-CG 3.25Å; T35-N39 PolarHBondContact O-N 3.48Å; T35-N39 PolarHBondContact O-ND2 3.42Å
36I80.8Confident80.3Confident101 Ų10186.2 Ų86.252%0.51843%0.426SS..Hα-helixtrans-61.3-47.6175.8-66.9165.2000110.8E32 N33 K38 N39 Q40E32-I36 WeakPolarHBondContact O-CG1 3.32Å; E32-I36 PolarHBondContact O-N 3.43Å; N33-I36 PolarHBondContact O-N 3.33Å; I36-K38 PolarHBondContact O-N 3.48Å; I36-N39 PolarHBondContact O-N 2.99Å; I36-Q40 WeakPolarHBondContact O-CB 3.28Å; I36-Q40 PolarHBondContact O-N 2.96Å
37E82.3Confident80.5Confident99 Ų9989.8 Ų89.846%0.46343%0.434SS..Hα-helixtrans-61.5-43.5177.3-77.7-167.9-164.500112.4N33 K34 N39 Q40 R41N33-E37 PolarHBondContact O-N 2.94Å; K34-E37 PolarHBondContact O-N 3.47Å; E37-N39 VanDerWaalsContact C-N 3.34Å; E37-N39 PolarHBondContact O-N 3.34Å; E37-Q40 PolarHBondContact O-N 2.61Å; E37-R41 VanDerWaalsContact O-CG 3.32Å; E37-R41 WeakPolarHBondContact O-CG 3.48Å; E37-R41 PolarHBondContact O-N 2.93Å; E37-R41 IonicContact OE2-CZ 2.69Å; E37-R41 IonicContact OE2-NH2 3.92Å; E37-R41 PolarHBondContact OE2-NH2 3.49Å
38K86.1Confident80.9Confident121 Ų12187.5 Ų87.553%0.52642%0.424SS..Hα-helixtrans-60.6-45.4177.9-171.1-178.5178.7-176.50110.9K34 T35 I36 Q40 R41 F42 L65K34-K38 VanDerWaalsContact O-CB 3.32Å; K34-K38 WeakPolarHBondContact O-CB 3.45Å; K34-K38 PolarHBondContact O-N 3.35Å; T35-K38 PolarHBondContact O-N 2.92Å; I36-K38 PolarHBondContact O-N 3.48Å; K38-Q40 PolarHBondContact O-N 2.69Å; K38-R41 PolarHBondContact O-N 3.26Å; K38-F42 WeakPolarHBondContact O-CB 3.48Å; K38-F42 PolarHBondContact O-N 3.33Å; K38-L65 HydrophobicContact CD-CD2 4.43Å; K38-L65 HydrophobicContact CG-CD2 3.59Å
39N84.6Confident81.9Confident91 Ų9182.5 Ų82.549%0.48740%0.401SS..Hα-helixtrans-62.4-41.5176.6-72-15.6000111.7T35 I36 E37 R41 F42 L43T35-N39 WeakPolarHBondContact O-CB 3.5Å; T35-N39 VanDerWaalsContact O-CG 3.25Å; T35-N39 PolarHBondContact O-N 3.48Å; T35-N39 PolarHBondContact O-ND2 3.42Å; I36-N39 PolarHBondContact O-N 2.99Å; E37-N39 VanDerWaalsContact C-N 3.34Å; E37-N39 PolarHBondContact O-N 3.34Å; N39-R41 PolarHBondContact O-N 2.93Å; N39-F42 PolarHBondContact O-N 2.95Å; N39-L43 WeakPolarHBondContact O-CG 3.5Å; N39-L43 PolarHBondContact O-N 3Å
40Q80.4Confident82.5Confident136 Ų13682.9 Ų82.964%0.63640%0.399SS*.Hα-helixtrans-65.1-40.2177.9-166.8173.119.500112.3I36 E37 K38 L43 N44I36-Q40 WeakPolarHBondContact O-CB 3.28Å; I36-Q40 PolarHBondContact O-N 2.96Å; E37-Q40 PolarHBondContact O-N 2.61Å; K38-Q40 PolarHBondContact O-N 2.69Å; Q40-L43 PolarHBondContact O-N 3.48Å; Q40-N44 WeakPolarHBondContact O-CB 3.48Å; Q40-N44 PolarHBondContact O-N 3.48Å
41R88.9Confident82.8Confident119 Ų11987 Ų8745%0.44942%0.415SS..Hα-helixtrans-65.4-39.9174.1-66.2175.4-162.1-168.89111.3E37 K38 N39 N44 G45 F59 L65E37-R41 VanDerWaalsContact O-CG 3.32Å; E37-R41 WeakPolarHBondContact O-CG 3.48Å; E37-R41 PolarHBondContact O-N 2.93Å; E37-R41 IonicContact OE2-CZ 2.69Å; E37-R41 IonicContact OE2-NH2 3.92Å; E37-R41 PolarHBondContact OE2-NH2 3.49Å; K38-R41 PolarHBondContact O-N 3.26Å; N39-R41 PolarHBondContact O-N 2.93Å; R41-N44 WeakPolarHBondContact O-CB 3.32Å; R41-N44 PolarHBondContact O-N 3.27Å; R41-G45 PolarHBondContact O-N 3.31Å; R41-F59 WeakPolarHBondContact O-CE1 3.48Å; R41-L65 HydrophobicContact CB-CD1 3.83Å
42F90.4Very high83.5Confident45 Ų4585.3 Ų85.320%0.19741%0.409CS..Hα-helixtrans-62.1-46.6175.9-170.2-109.4000112.1K38 N39 N44 G45 K46 L60 L65 F76 E80K38-F42 WeakPolarHBondContact O-CB 3.48Å; K38-F42 PolarHBondContact O-N 3.33Å; N39-F42 PolarHBondContact O-N 2.95Å; F42-N44 VanDerWaalsContact C-N 3.3Å; F42-N44 PolarHBondContact O-N 2.92Å; F42-G45 WeakPolarHBondContact O-CA 3.32Å; F42-G45 PolarHBondContact O-N 3.46Å; F42-K46 HydrophobicContact CD1-CD 4.03Å; F42-K46 HydrophobicContact CE1-CD 3.85Å; F42-K46 HydrophobicContact CE1-CG 4.5Å; F42-K46 PolarHBondContact O-N 3.29Å; F42-L60 HydrophobicContact CD2-CD2 3.65Å; F42-L60 HydrophobicContact CE2-CD2 4.01Å; F42-L65 HydrophobicContact CB-CD1 4.45Å; F42-L65 HydrophobicContact CD2-CB 4.12Å; F42-F76 HydrophobicContact CE2-CD2 4.4Å; F42-F76 HydrophobicContact CE2-CE2 4.08Å; F42-F76 HydrophobicContact CZ-CD2 4.07Å; F42-F76 AromaticContact CZ-CE2 3.77Å; F42-F76 HydrophobicContact CZ-CE2 3.77Å; F42-E80 HydrophobicContact CE1-CG 4.27Å; F42-E80 WeakPolarHBondContact CE1-OE1 3.41Å; F42-E80 HydrophobicContact CZ-CG 4.3Å
43L83.3Confident84.5Confident97 Ų9779.6 Ų79.651%0.50838%0.383SS..Hα-helixtrans-59.8-38.5173.8-70.4173000112.5N39 Q40 G45 K46 K47N39-L43 WeakPolarHBondContact O-CG 3.5Å; N39-L43 PolarHBondContact O-N 3Å; Q40-L43 PolarHBondContact O-N 3.48Å; L43-G45 VanDerWaalsContact C-N 3.35Å; L43-K46 HydrophobicContact CD2-CD 4.49Å; L43-K46 PolarHBondContact O-N 2.97Å; L43-K47 WeakPolarHBondContact O-CG 3.36Å; L43-K47 PolarHBondContact O-N 3.03Å
44N81.8Confident85.3Confident72 Ų7278.3 Ų78.339%0.38537%0.373SS..Hα-helixtrans-65.1-39.3173.8-169.821.7000111.8Q40 R41 F42 K46 K47 K48Q40-N44 WeakPolarHBondContact O-CB 3.48Å; Q40-N44 PolarHBondContact O-N 3.48Å; R41-N44 WeakPolarHBondContact O-CB 3.32Å; R41-N44 PolarHBondContact O-N 3.27Å; F42-N44 VanDerWaalsContact C-N 3.3Å; F42-N44 PolarHBondContact O-N 2.92Å; N44-K46 PolarHBondContact O-N 3.41Å; N44-K47 PolarHBondContact O-N 2.94Å; N44-K48 WeakPolarHBondContact O-CG 3.44Å; N44-K48 PolarHBondContact O-N 3.4Å
45G86.3Confident86Confident0 Ų079.1 Ų79.10%038%0.377CS..Hα-helixtrans-59.6-42.9173.400000112.7R41 F42 L43 K48 F49R41-G45 PolarHBondContact O-N 3.31Å; F42-G45 WeakPolarHBondContact O-CA 3.32Å; F42-G45 PolarHBondContact O-N 3.46Å; L43-G45 VanDerWaalsContact C-N 3.35Å; G45-K48 WeakPolarHBondContact O-CB 3.48Å; G45-K48 PolarHBondContact O-N 2.99Å; G45-F49 PolarHBondContact O-N 3.5Å
46K88.1Confident86.6Confident22 Ų2275.8 Ų75.810%0.09636%0.356CS..Hα-helixtrans-62.2-43.8173.9-65.5171.262.3172.90112.4F42 L43 N44 K48 F49 N50 F76 E80 E81 L83F42-K46 HydrophobicContact CD1-CD 4.03Å; F42-K46 HydrophobicContact CE1-CD 3.85Å; F42-K46 HydrophobicContact CE1-CG 4.5Å; F42-K46 PolarHBondContact O-N 3.29Å; L43-K46 HydrophobicContact CD2-CD 4.49Å; L43-K46 PolarHBondContact O-N 2.97Å; N44-K46 PolarHBondContact O-N 3.41Å; K46-K48 VanDerWaalsContact C-N 3.31Å; K46-K48 PolarHBondContact O-N 3.21Å; K46-F49 WeakPolarHBondContact O-CB 3.5Å; K46-F49 PolarHBondContact O-N 2.9Å; K46-N50 PolarHBondContact O-N 3.39Å; K46-N50 PolarHBondContact O-OD1 3.28Å; K46-F76 HydrophobicContact CG-CE2 4.36Å; K46-F76 HydrophobicContact CG-CZ 4.33Å; K46-E80 HydrophobicContact CD-CG 4.02Å; K46-E80 WeakPolarHBondContact CE-OE1 3.35Å; K46-E80 IonicContact NZ-OE1 3.85Å; K46-E80 PolarHBondContact NZ-OE1 3.13Å; K46-E81 WeakPolarHBondContact CE-O 3.06Å; K46-E81 PolarHBondContact NZ-O 3.35Å; K46-L83 HydrophobicContact CB-CD2 4.06Å; K46-L83 HydrophobicContact CG-CD2 3.92Å
47K80.1Confident87.4Confident138 Ų13871.1 Ų71.160%0.633%0.332SS*.Hα-helixtrans-59.9-42.2173.9-72.1-179.7-179.4-178.10111.9L43 N44 N50 M51L43-K47 WeakPolarHBondContact O-CG 3.36Å; L43-K47 PolarHBondContact O-N 3.03Å; N44-K47 PolarHBondContact O-N 2.94Å; K47-N50 PolarHBondContact O-N 2.94Å; K47-M51 HydrophobicContact CB-CE 4.22Å; K47-M51 WeakPolarHBondContact O-CE 3.35Å; K47-M51 PolarHBondContact O-N 3.33Å
48K83.3Confident88Confident76 Ų7670.8 Ų70.833%0.3333%0.334SS..Hα-helixtrans-62.8-43.4175-73.7173.8178.5-68.20111.5N44 G45 K46 N50 M51 D52 F59N44-K48 WeakPolarHBondContact O-CG 3.44Å; N44-K48 PolarHBondContact O-N 3.4Å; G45-K48 WeakPolarHBondContact O-CB 3.48Å; G45-K48 PolarHBondContact O-N 2.99Å; K46-K48 VanDerWaalsContact C-N 3.31Å; K46-K48 PolarHBondContact O-N 3.21Å; K48-N50 PolarHBondContact O-N 3.43Å; K48-M51 PolarHBondContact O-N 3.49Å; K48-M51 VanDerWaalsContact O-N 3.15Å; K48-D52 CarbonylContact O-C 3.49Å; K48-D52 PolarHBondContact O-N 3.31Å; K48-D52 VanDerWaalsContact O-O 3.07Å; K48-F59 HydrophobicContact CD-CB 3.98Å; K48-F59 HydrophobicContact CD-CD1 4.01Å; K48-F59 HydrophobicContact CD-CD2 3.79Å; K48-F59 HydrophobicContact CD-CE1 4.49Å; K48-F59 HydrophobicContact CD-CE2 4.29Å; K48-F59 HydrophobicContact CD-CG 3.63Å
49F93.7Very high88.5Confident0 Ų066.9 Ų66.90%032%0.317CS..Hα-helixtrans-58.2-46.7175.7179-88.6000111.9G45 K46 M51 D52 P53 I57 F76 L77 L83 A87 I88 F91G45-F49 PolarHBondContact O-N 3.5Å; K46-F49 WeakPolarHBondContact O-CB 3.5Å; K46-F49 PolarHBondContact O-N 2.9Å; F49-M51 PolarHBondContact O-N 2.82Å; F49-D52 CarbonylContact O-C 3.52Å; F49-D52 VanDerWaalsContact O-C 3.3Å; F49-D52 PolarHBondContact O-N 2.96Å; F49-P53 HydrophobicContact CD2-CB 4.05Å; F49-P53 WeakPolarHBondContact CD2-O 3.27Å; F49-P53 HydrophobicContact CE2-CB 3.66Å; F49-P53 HydrophobicContact CZ-CB 4.02Å; F49-P53 WeakPolarHBondContact O-CA 3.42Å; F49-I57 HydrophobicContact CD2-CD1 3.91Å; F49-I57 HydrophobicContact CD2-CG1 3.92Å; F49-I57 HydrophobicContact CE2-CD1 4.03Å; F49-I57 HydrophobicContact CE2-CG1 4Å; F49-F76 HydrophobicContact CD2-CE1 4.41Å; F49-L77 HydrophobicContact CE1-CD2 4.15Å; F49-L77 HydrophobicContact CE2-CD2 3.56Å; F49-L77 HydrophobicContact CZ-CD2 3.31Å; F49-L83 HydrophobicContact CD1-CB 4.48Å; F49-L83 HydrophobicContact CD1-CD2 3.82Å; F49-L83 HydrophobicContact CE1-CB 4.4Å; F49-L83 HydrophobicContact CE1-CD2 4.42Å; F49-L83 HydrophobicContact CG-CD2 4.33Å; F49-A87 HydrophobicContact CD1-CB 4.16Å; F49-A87 HydrophobicContact CE1-CB 3.7Å; F49-A87 HydrophobicContact CZ-CB 4.36Å; F49-I88 HydrophobicContact CE1-CG1 3.96Å; F49-I88 HydrophobicContact CZ-CG1 4.15Å; F49-F91 HydrophobicContact CE2-CB 4.5Å; F49-F91 HydrophobicContact CE2-CD2 4.38Å; F49-F91 HydrophobicContact CE2-CG 4.47Å; F49-F91 HydrophobicContact CZ-CB 4.47Å
50N84.6Confident89.1Confident59 Ų5962.6 Ų62.632%0.31629%0.294SS..Hα-helixtrans-64.7-20.5179.6-66-6000113.3K46 K47 K48 G82 L83 N84K46-N50 PolarHBondContact O-N 3.39Å; K46-N50 PolarHBondContact O-OD1 3.28Å; K47-N50 PolarHBondContact O-N 2.94Å; K48-N50 PolarHBondContact O-N 3.43Å; N50-G82 PolarHBondContact ND2-O 3.36Å; N50-L83 WeakPolarHBondContact OD1-CA 3.28Å; N50-N84 HydrophobicContact CB-CB 4.02Å; N50-N84 PolarHBondContact OD1-N 3.38Å
51M79.1Confident89.9Confident150 Ų15058.5 Ų58.574%0.73928%0.278SS*.Hα-helixtrans-93.5-38.3175.1-71.2-178.2-90.200112.8K47 K48 F49K47-M51 HydrophobicContact CB-CE 4.22Å; K47-M51 WeakPolarHBondContact O-CE 3.35Å; K47-M51 PolarHBondContact O-N 3.33Å; K48-M51 PolarHBondContact O-N 3.49Å; K48-M51 VanDerWaalsContact O-N 3.15Å; F49-M51 PolarHBondContact O-N 2.82Å
52D89.1Confident90.2Very high47 Ų4760 Ų6025%0.25129%0.29SS..  trans-153.6101.8-179.1-178.6-39000107.8K48 F49 K54 K55 G56K48-D52 CarbonylContact O-C 3.49Å; K48-D52 PolarHBondContact O-N 3.31Å; K48-D52 VanDerWaalsContact O-O 3.07Å; F49-D52 CarbonylContact O-C 3.52Å; F49-D52 VanDerWaalsContact O-C 3.3Å; F49-D52 PolarHBondContact O-N 2.96Å; D52-K54 VanDerWaalsContact C-N 3.3Å; D52-K54 PolarHBondContact O-N 2.9Å; D52-K54 PolarHBondContact OD1-N 3.05Å; D52-K55 HydrophobicContact CB-CB 4.03Å; D52-K55 HydrophobicContact CB-CD 4.24Å; D52-K55 HydrophobicContact CB-CG 4.26Å; D52-K55 PolarHBondContact O-N 2.84Å; D52-K55 PolarHBondContact OD1-N 3.22Å; D52-K55 VanDerWaalsContact OD2-CD 3.28Å; D52-K55 WeakPolarHBondContact OD2-CD 3.43Å; D52-K55 WeakPolarHBondContact OD2-CE 3.25Å; D52-K55 WeakPolarHBondContact OD2-CG 3.29Å; D52-K55 IonicContact OD2-NZ 3.39Å; D52-K55 PolarHBondContact OD2-NZ 3.37Å; D52-G56 PolarHBondContact O-N 3.43Å
53P94Very high90.4Very high13 Ų1360.7 Ų60.78%0.08430%0.296CS..Hα-helixtrans-57-41.8-172.3-2834.2000113.3F49 G56 I57 A87 F91F49-P53 HydrophobicContact CD2-CB 4.05Å; F49-P53 WeakPolarHBondContact CD2-O 3.27Å; F49-P53 HydrophobicContact CE2-CB 3.66Å; F49-P53 HydrophobicContact CZ-CB 4.02Å; F49-P53 WeakPolarHBondContact O-CA 3.42Å; P53-G56 PolarHBondContact O-N 2.7Å; P53-I57 WeakPolarHBondContact O-CG1 3.15Å; P53-I57 PolarHBondContact O-N 3.29Å; P53-A87 HydrophobicContact CG-CB 3.87Å; P53-A87 WeakPolarHBondContact CG-O 3.47Å; P53-F91 HydrophobicContact CB-CB 3.82Å; P53-F91 HydrophobicContact CB-CD2 3.74Å; P53-F91 HydrophobicContact CB-CG 4.24Å
54K94.8Very high90.9Very high68 Ų6865 Ų6530%0.29631%0.311SS..Hα-helixtrans-66.4-46-179.2-64.9-169-176.7-168.40111.1D52 G56 I57 N58 E96D52-K54 VanDerWaalsContact C-N 3.3Å; D52-K54 PolarHBondContact O-N 2.9Å; D52-K54 PolarHBondContact OD1-N 3.05Å; K54-G56 VanDerWaalsContact C-N 3.32Å; K54-G56 PolarHBondContact O-N 3.11Å; K54-I57 PolarHBondContact O-N 3.38Å; K54-N58 WeakPolarHBondContact O-CB 3.43Å; K54-N58 VanDerWaalsContact O-CG 3.23Å; K54-N58 PolarHBondContact O-N 2.9Å; K54-N58 PolarHBondContact O-ND2 3.19Å; K54-E96 IonicContact NZ-OE1 3.03Å; K54-E96 PolarHBondContact NZ-OE1 3.25Å; K54-E96 IonicContact NZ-OE2 2.63Å; K54-E96 PolarHBondContact NZ-OE2 3.47Å
55K93.1Very high91.5Very high137 Ų13763.1 Ų63.160%0.59630%0.3SS*.Hα-helixtrans-65.3-35.7176.2-70.2-173.7-173.5115.60112.4D52 F59D52-K55 HydrophobicContact CB-CB 4.03Å; D52-K55 HydrophobicContact CB-CD 4.24Å; D52-K55 HydrophobicContact CB-CG 4.26Å; D52-K55 PolarHBondContact O-N 2.84Å; D52-K55 PolarHBondContact OD1-N 3.22Å; D52-K55 VanDerWaalsContact OD2-CD 3.28Å; D52-K55 WeakPolarHBondContact OD2-CD 3.43Å; D52-K55 WeakPolarHBondContact OD2-CE 3.25Å; D52-K55 WeakPolarHBondContact OD2-CG 3.29Å; D52-K55 IonicContact OD2-NZ 3.39Å; D52-K55 PolarHBondContact OD2-NZ 3.37Å; K55-F59 VanDerWaalsContact O-CB 3.3Å; K55-F59 WeakPolarHBondContact O-CB 3.29Å; K55-F59 PolarHBondContact O-N 3.36Å
56G93.6Very high92Very high0 Ų064.1 Ų64.10%031%0.305CS..Hα-helixtrans-61.8-51.1175.900000112.7D52 P53 K54 F59 L60D52-G56 PolarHBondContact O-N 3.43Å; P53-G56 PolarHBondContact O-N 2.7Å; K54-G56 VanDerWaalsContact C-N 3.32Å; K54-G56 PolarHBondContact O-N 3.11Å; G56-F59 PolarHBondContact O-N 3.03Å; G56-L60 WeakPolarHBondContact O-CG 2.94Å; G56-L60 PolarHBondContact O-N 3.05Å
57I97.7Very high92.3Very high4 Ų467.9 Ų67.92%0.02133%0.327CS..Hα-helixtrans-60.6-48.1176.2-65.8-55.6000110.7F49 P53 K54 F59 L60 V61 L66 I73 F76 F91F49-I57 HydrophobicContact CD2-CD1 3.91Å; F49-I57 HydrophobicContact CD2-CG1 3.92Å; F49-I57 HydrophobicContact CE2-CD1 4.03Å; F49-I57 HydrophobicContact CE2-CG1 4Å; P53-I57 WeakPolarHBondContact O-CG1 3.15Å; P53-I57 PolarHBondContact O-N 3.29Å; K54-I57 PolarHBondContact O-N 3.38Å; I57-F59 VanDerWaalsContact C-N 3.32Å; I57-F59 PolarHBondContact O-N 3.49Å; I57-L60 PolarHBondContact O-N 2.99Å; I57-L60 VanDerWaalsContact O-N 3.12Å; I57-V61 HydrophobicContact CG2-CG2 4.24Å; I57-V61 WeakPolarHBondContact O-CG2 3.36Å; I57-V61 PolarHBondContact O-N 3.05Å; I57-L66 HydrophobicContact CD1-CD2 3.94Å; I57-I73 HydrophobicContact CD1-CG2 4Å; I57-I73 HydrophobicContact CG1-CG2 4.41Å; I57-I73 HydrophobicContact CG2-CD1 3.88Å; I57-I73 HydrophobicContact CG2-CG1 4.17Å; I57-F76 HydrophobicContact CD1-CD1 3.83Å; I57-F76 HydrophobicContact CD1-CE1 3.71Å; I57-F91 HydrophobicContact CB-CE2 4.23Å; I57-F91 HydrophobicContact CG1-CD2 4.28Å; I57-F91 HydrophobicContact CG1-CE2 3.66Å; I57-F91 HydrophobicContact CG1-CZ 3.96Å
58N96.1Very high93.1Very high92 Ų9262.9 Ų62.949%0.49231%0.314SS..Hα-helixtrans-57.8-44.9178.6-71.6-10.9000111.9K54 L60 V61 E62K54-N58 WeakPolarHBondContact O-CB 3.43Å; K54-N58 VanDerWaalsContact O-CG 3.23Å; K54-N58 PolarHBondContact O-N 2.9Å; K54-N58 PolarHBondContact O-ND2 3.19Å; N58-L60 VanDerWaalsContact C-N 3.35Å; N58-L60 PolarHBondContact O-N 3.04Å; N58-V61 PolarHBondContact O-N 3.12Å; N58-E62 WeakPolarHBondContact O-CB 3.07Å; N58-E62 VanDerWaalsContact O-CG 3.29Å; N58-E62 WeakPolarHBondContact O-CG 3.4Å; N58-E62 PolarHBondContact O-N 2.89Å
59F96Very high93.7Very high39 Ų3961.8 Ų61.817%0.17132%0.316CS..Hα-helixtrans-59.5-44.4176.6175.1-89.4000112R41 K48 K55 G56 I57 V61 N63R41-F59 WeakPolarHBondContact O-CE1 3.48Å; K48-F59 HydrophobicContact CD-CB 3.98Å; K48-F59 HydrophobicContact CD-CD1 4.01Å; K48-F59 HydrophobicContact CD-CD2 3.79Å; K48-F59 HydrophobicContact CD-CE1 4.49Å; K48-F59 HydrophobicContact CD-CE2 4.29Å; K48-F59 HydrophobicContact CD-CG 3.63Å; K55-F59 VanDerWaalsContact O-CB 3.3Å; K55-F59 WeakPolarHBondContact O-CB 3.29Å; K55-F59 PolarHBondContact O-N 3.36Å; G56-F59 PolarHBondContact O-N 3.03Å; I57-F59 VanDerWaalsContact C-N 3.32Å; I57-F59 PolarHBondContact O-N 3.49Å; F59-V61 VanDerWaalsContact C-N 3.35Å; F59-N63 WeakPolarHBondContact CD2-ND2 3.48Å; F59-N63 WeakPolarHBondContact CE2-ND2 3.36Å; F59-N63 WeakPolarHBondContact O-CB 3.43Å; F59-N63 PolarHBondContact O-N 3.42Å; F59-N63 VanDerWaalsContact O-N 3.11Å; F59-N63 PolarHBondContact O-ND2 3.24Å
60L96.4Very high94Very high0 Ų062.5 Ų62.50%032%0.322CS..Hα-helixtrans-64.4-40.3179.2-71.6166.6000111.6F42 G56 I57 N58 K64 L65 L66 F76F42-L60 HydrophobicContact CD2-CD2 3.65Å; F42-L60 HydrophobicContact CE2-CD2 4.01Å; G56-L60 WeakPolarHBondContact O-CG 2.94Å; G56-L60 PolarHBondContact O-N 3.05Å; I57-L60 PolarHBondContact O-N 2.99Å; I57-L60 VanDerWaalsContact O-N 3.12Å; N58-L60 VanDerWaalsContact C-N 3.35Å; N58-L60 PolarHBondContact O-N 3.04Å; L60-K64 PolarHBondContact O-N 3.06Å; L60-L65 HydrophobicContact CD2-CB 3.98Å; L60-L65 HydrophobicContact CD2-CD1 4.05Å; L60-L65 WeakPolarHBondContact O-CA 3.48Å; L60-L65 WeakPolarHBondContact O-CB 3.44Å; L60-L65 PolarHBondContact O-N 3.28Å; L60-L66 HydrophobicContact CB-CB 3.75Å; L60-L66 HydrophobicContact CB-CD2 4.33Å; L60-L66 HydrophobicContact CD1-CD2 4.34Å; L60-L66 PolarHBondContact O-N 3.5Å; L60-F76 HydrophobicContact CD1-CE1 3.98Å; L60-F76 HydrophobicContact CD1-CE2 3.9Å; L60-F76 HydrophobicContact CD1-CZ 3.47Å; L60-F76 VanDerWaalsContact CD1-CZ 3.47Å
61V96.9Very high94.6Very high50 Ų5066.1 Ų66.130%0.30334%0.335SS..Hα-helixtrans-69.1-48.5178.61750000111.7I57 N58 F59 N63 K64 L66I57-V61 HydrophobicContact CG2-CG2 4.24Å; I57-V61 WeakPolarHBondContact O-CG2 3.36Å; I57-V61 PolarHBondContact O-N 3.05Å; N58-V61 PolarHBondContact O-N 3.12Å; F59-V61 VanDerWaalsContact C-N 3.35Å; V61-N63 PolarHBondContact O-N 2.88Å; V61-K64 PolarHBondContact O-N 3.28Å; V61-L66 WeakPolarHBondContact CA-O 3.45Å; V61-L66 HydrophobicContact CG2-CB 4.48Å
62E96.2Very high95.5Very high151 Ų15160.2 Ų60.271%0.70631%0.308SS*.Hα-helixtrans-60.5-34.7179-73.9173.4177.500112.4N58 K64N58-E62 WeakPolarHBondContact O-CB 3.07Å; N58-E62 VanDerWaalsContact O-CG 3.29Å; N58-E62 WeakPolarHBondContact O-CG 3.4Å; N58-E62 PolarHBondContact O-N 2.89Å; E62-K64 VanDerWaalsContact C-N 3.26Å; E62-K64 PolarHBondContact O-N 3.47Å
63N93.6Very high96Very high60 Ų6058 Ų5832%0.32130%0.296SS..THydrogen-bonded Turntrans-85.36.9177.2-73.1-90.4000113.5F59 V61 L65F59-N63 WeakPolarHBondContact CD2-ND2 3.48Å; F59-N63 WeakPolarHBondContact CE2-ND2 3.36Å; F59-N63 WeakPolarHBondContact O-CB 3.43Å; F59-N63 PolarHBondContact O-N 3.42Å; F59-N63 VanDerWaalsContact O-N 3.11Å; F59-N63 PolarHBondContact O-ND2 3.24Å; V61-N63 PolarHBondContact O-N 2.88Å; N63-L65 HydrophobicContact CB-CD1 3.86Å; N63-L65 HydrophobicContact CB-CG 3.93Å; N63-L65 PolarHBondContact O-N 3.46Å
64K95.1Very high96.2Very high188 Ų18857.4 Ų57.482%0.81729%0.292SS*.THydrogen-bonded Turntrans56.632.3-178.9-52.2-180-178.8-179.40113.2L60 V61 E62L60-K64 PolarHBondContact O-N 3.06Å; V61-K64 PolarHBondContact O-N 3.28Å; E62-K64 VanDerWaalsContact C-N 3.26Å; E62-K64 PolarHBondContact O-N 3.47Å
65L93.9Very high96.3Very high31 Ų3157.3 Ų57.316%0.16229%0.293CS..SBendtrans-95.4-20.6177.2-60.5172.4000112K38 R41 F42 L60 N63K38-L65 HydrophobicContact CD-CD2 4.43Å; K38-L65 HydrophobicContact CG-CD2 3.59Å; R41-L65 HydrophobicContact CB-CD1 3.83Å; F42-L65 HydrophobicContact CB-CD1 4.45Å; F42-L65 HydrophobicContact CD2-CB 4.12Å; L60-L65 HydrophobicContact CD2-CB 3.98Å; L60-L65 HydrophobicContact CD2-CD1 4.05Å; L60-L65 WeakPolarHBondContact O-CA 3.48Å; L60-L65 WeakPolarHBondContact O-CB 3.44Å; L60-L65 PolarHBondContact O-N 3.28Å; N63-L65 HydrophobicContact CB-CD1 3.86Å; N63-L65 HydrophobicContact CB-CG 3.93Å; N63-L65 PolarHBondContact O-N 3.46Å
66L96.2Very high96.6Very high22 Ų2251.4 Ų51.412%0.11527%0.267CS..SBendtrans-139.8138.5176.3-175.664.3000108.8I57 L60 V61 S72 I73 F76I57-L66 HydrophobicContact CD1-CD2 3.94Å; L60-L66 HydrophobicContact CB-CB 3.75Å; L60-L66 HydrophobicContact CB-CD2 4.33Å; L60-L66 HydrophobicContact CD1-CD2 4.34Å; L60-L66 PolarHBondContact O-N 3.5Å; V61-L66 WeakPolarHBondContact CA-O 3.45Å; V61-L66 HydrophobicContact CG2-CB 4.48Å; L66-S72 VanDerWaalsContact CD1-OG 3.29Å; L66-S72 WeakPolarHBondContact CD1-OG 3.36Å; L66-I73 HydrophobicContact CD2-CG1 4.15Å; L66-F76 HydrophobicContact CD1-CB 3.71Å; L66-F76 HydrophobicContact CD1-CD2 4.46Å; L66-F76 HydrophobicContact CD1-CG 4.17Å; L66-F76 HydrophobicContact CD2-CB 4.21Å; L66-F76 HydrophobicContact CD2-CD1 4.1Å; L66-F76 HydrophobicContact CD2-CG 4.07Å
67D95.9Very high96.8Very high101 Ų10151.4 Ų51.454%0.5427%0.267SS..  trans-74.1138.5169.7173.878.7000109.9S69 S72D67-S69 PolarHBondContact O-N 3.03Å; D67-S69 WeakPolarHBondContact OD2-CB 3.46Å; D67-S69 PolarHBondContact OD2-N 3.12Å; D67-S69 PolarHBondContact OD2-OG 3.19Å; D67-S72 WeakPolarHBondContact CB-OG 3.45Å; D67-S72 PolarHBondContact N-OG 3.41Å; D67-S72 VanDerWaalsContact O-CB 3.25Å; D67-S72 WeakPolarHBondContact O-CB 3.48Å; D67-S72 PolarHBondContact O-OG 3.42Å
68G94.9Very high96.7Very high33 Ų3355 Ų5534%0.3428%0.281SS..  trans-77.83.1-173.400000115.3
69S97.9Very high96.6Very high53 Ų5357.1 Ų57.137%0.37129%0.286SS..SBendtrans-71.1148.2175.966.90000112.1D67 K71 S72 I73D67-S69 PolarHBondContact O-N 3.03Å; D67-S69 WeakPolarHBondContact OD2-CB 3.46Å; D67-S69 PolarHBondContact OD2-N 3.12Å; D67-S69 PolarHBondContact OD2-OG 3.19Å; S69-K71 PolarHBondContact O-N 3.07Å; S69-K71 VanDerWaalsContact O-N 3.17Å; S69-S72 PolarHBondContact O-N 2.98Å; S69-S72 VanDerWaalsContact O-N 3.13Å; S69-S72 WeakPolarHBondContact OG-CB 3.4Å; S69-S72 PolarHBondContact OG-N 2.87Å; S69-I73 WeakPolarHBondContact O-CG1 3.17Å; S69-I73 PolarHBondContact O-N 3.35Å
70A98.2Very high96.4Very high14 Ų1458.1 Ų58.112%0.11629%0.291CS..Hα-helixtrans-53.6-37.1177.200000113A74 L98 Q101A70-A74 VanDerWaalsContact O-CB 3.28Å; A70-A74 WeakPolarHBondContact O-CB 3.32Å; A70-A74 PolarHBondContact O-N 3.48Å; A70-L98 HydrophobicContact CB-CD1 4.29Å; A70-Q101 HydrophobicContact CB-CB 3.64Å
71K98Very high96Very high136 Ų13666 Ų6659%0.59133%0.328SS*.Hα-helixtrans-67.7-46.6178.3-173.1178.4178.5-179.30112.1S69 I73 A74 E75S69-K71 PolarHBondContact O-N 3.07Å; S69-K71 VanDerWaalsContact O-N 3.17Å; K71-I73 VanDerWaalsContact C-N 3.34Å; K71-I73 PolarHBondContact O-N 3.03Å; K71-A74 PolarHBondContact O-N 3.46Å; K71-E75 VanDerWaalsContact CE-OE1 3.27Å; K71-E75 WeakPolarHBondContact CE-OE1 3.28Å; K71-E75 WeakPolarHBondContact O-CG 3.43Å; K71-E75 PolarHBondContact O-N 3.38Å
72S98.2Very high95.4Very high25 Ų2566.4 Ų66.418%0.17534%0.342CS..Hα-helixtrans-61.2-43.9176.7166.80000111.4L66 D67 S69 E75 F76L66-S72 VanDerWaalsContact CD1-OG 3.29Å; L66-S72 WeakPolarHBondContact CD1-OG 3.36Å; D67-S72 WeakPolarHBondContact CB-OG 3.45Å; D67-S72 PolarHBondContact N-OG 3.41Å; D67-S72 VanDerWaalsContact O-CB 3.25Å; D67-S72 WeakPolarHBondContact O-CB 3.48Å; D67-S72 PolarHBondContact O-OG 3.42Å; S69-S72 PolarHBondContact O-N 2.98Å; S69-S72 VanDerWaalsContact O-N 3.13Å; S69-S72 WeakPolarHBondContact OG-CB 3.4Å; S69-S72 PolarHBondContact OG-N 2.87Å; S72-E75 PolarHBondContact O-N 2.91Å; S72-F76 PolarHBondContact O-N 3.22Å
73I98.5Very high95.1Very high1 Ų159.8 Ų59.81%0.00531%0.312CS..Hα-helixtrans-63.2-45.3176-62.1165.4000110.4I57 L66 S69 K71 E75 F76 L77 F91 L98 T102I57-I73 HydrophobicContact CD1-CG2 4Å; I57-I73 HydrophobicContact CG1-CG2 4.41Å; I57-I73 HydrophobicContact CG2-CD1 3.88Å; I57-I73 HydrophobicContact CG2-CG1 4.17Å; L66-I73 HydrophobicContact CD2-CG1 4.15Å; S69-I73 WeakPolarHBondContact O-CG1 3.17Å; S69-I73 PolarHBondContact O-N 3.35Å; K71-I73 VanDerWaalsContact C-N 3.34Å; K71-I73 PolarHBondContact O-N 3.03Å; I73-E75 VanDerWaalsContact C-N 3.35Å; I73-E75 PolarHBondContact O-N 3.45Å; I73-F76 WeakPolarHBondContact O-CB 3.46Å; I73-F76 PolarHBondContact O-N 2.92Å; I73-L77 HydrophobicContact CG2-CD1 4Å; I73-L77 HydrophobicContact CG2-CG 4.24Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.3Å; I73-L77 PolarHBondContact O-N 2.92Å; I73-F91 HydrophobicContact CG2-CE1 3.87Å; I73-F91 HydrophobicContact CG2-CZ 4.11Å; I73-L98 HydrophobicContact CD1-CD1 4.2Å; I73-L98 HydrophobicContact CD1-CD2 4.23Å; I73-L98 HydrophobicContact CD1-CG 4.46Å; I73-T102 HydrophobicContact CB-CG2 4.11Å; I73-T102 HydrophobicContact CG2-CG2 3.72Å
74A98.5Very high94.7Very high0 Ų058.7 Ų58.70%031%0.306CS..Hα-helixtrans-60-43.2177.900000112.4A70 K71 F76 L77 Y78 T102 A105 F106 L109A70-A74 VanDerWaalsContact O-CB 3.28Å; A70-A74 WeakPolarHBondContact O-CB 3.32Å; A70-A74 PolarHBondContact O-N 3.48Å; K71-A74 PolarHBondContact O-N 3.46Å; A74-F76 VanDerWaalsContact C-N 3.35Å; A74-F76 PolarHBondContact O-N 2.92Å; A74-L77 PolarHBondContact O-N 3.49Å; A74-Y78 VanDerWaalsContact O-CB 3.29Å; A74-Y78 WeakPolarHBondContact O-CB 3.3Å; A74-Y78 PolarHBondContact O-N 3.31Å; A74-T102 HydrophobicContact CB-CG2 4.05Å; A74-A105 HydrophobicContact CB-CB 3.62Å; A74-F106 HydrophobicContact CB-CB 4.06Å; A74-L109 HydrophobicContact CB-CD1 4.31Å
75E98.1Very high94.5Very high66 Ų6651.7 Ų51.731%0.30828%0.275SS..Hα-helixtrans-63-40.4175.8-73.6-179.1-157.300112K71 S72 I73 Y78 K79 L109K71-E75 VanDerWaalsContact CE-OE1 3.27Å; K71-E75 WeakPolarHBondContact CE-OE1 3.28Å; K71-E75 WeakPolarHBondContact O-CG 3.43Å; K71-E75 PolarHBondContact O-N 3.38Å; S72-E75 PolarHBondContact O-N 2.91Å; I73-E75 VanDerWaalsContact C-N 3.35Å; I73-E75 PolarHBondContact O-N 3.45Å; E75-Y78 PolarHBondContact O-N 3.46Å; E75-K79 VanDerWaalsContact O-CB 3.32Å; E75-K79 WeakPolarHBondContact O-CB 3.47Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.06Å; E75-K79 IonicContact OE2-NZ 3.42Å; E75-L109 HydrophobicContact CG-CD1 4.06Å; E75-L109 HydrophobicContact CG-CD2 4.16Å
76F97.9Very high94.2Very high13 Ų1352 Ų526%0.05728%0.279CS..Hα-helixtrans-60.5-49.3172.9167.2-101000111.6F42 K46 F49 I57 L60 L66 S72 I73 A74 Y78 E80 L83F42-F76 HydrophobicContact CE2-CD2 4.4Å; F42-F76 HydrophobicContact CE2-CE2 4.08Å; F42-F76 HydrophobicContact CZ-CD2 4.07Å; F42-F76 AromaticContact CZ-CE2 3.77Å; F42-F76 HydrophobicContact CZ-CE2 3.77Å; K46-F76 HydrophobicContact CG-CE2 4.36Å; K46-F76 HydrophobicContact CG-CZ 4.33Å; F49-F76 HydrophobicContact CD2-CE1 4.41Å; I57-F76 HydrophobicContact CD1-CD1 3.83Å; I57-F76 HydrophobicContact CD1-CE1 3.71Å; L60-F76 HydrophobicContact CD1-CE1 3.98Å; L60-F76 HydrophobicContact CD1-CE2 3.9Å; L60-F76 HydrophobicContact CD1-CZ 3.47Å; L60-F76 VanDerWaalsContact CD1-CZ 3.47Å; L66-F76 HydrophobicContact CD1-CB 3.71Å; L66-F76 HydrophobicContact CD1-CD2 4.46Å; L66-F76 HydrophobicContact CD1-CG 4.17Å; L66-F76 HydrophobicContact CD2-CB 4.21Å; L66-F76 HydrophobicContact CD2-CD1 4.1Å; L66-F76 HydrophobicContact CD2-CG 4.07Å; S72-F76 PolarHBondContact O-N 3.22Å; I73-F76 WeakPolarHBondContact O-CB 3.46Å; I73-F76 PolarHBondContact O-N 2.92Å; A74-F76 VanDerWaalsContact C-N 3.35Å; A74-F76 PolarHBondContact O-N 2.92Å; F76-Y78 VanDerWaalsContact C-N 3.26Å; F76-Y78 PolarHBondContact O-N 2.91Å; F76-E80 HydrophobicContact CD2-CB 3.89Å; F76-E80 HydrophobicContact CD2-CG 4.08Å; F76-E80 HydrophobicContact CE2-CB 4.07Å; F76-E80 HydrophobicContact CE2-CG 3.81Å; F76-E80 WeakPolarHBondContact O-CB 3.35Å; F76-E80 PolarHBondContact O-N 3.31Å; F76-L83 HydrophobicContact CD1-CD1 4.07Å; F76-L83 HydrophobicContact CE1-CD1 3.63Å; F76-L83 HydrophobicContact CE1-CD2 4.13Å; F76-L83 HydrophobicContact CE2-CD1 4.31Å; F76-L83 HydrophobicContact CE2-CD2 4.42Å; F76-L83 HydrophobicContact CZ-CD1 3.78Å; F76-L83 HydrophobicContact CZ-CD2 3.66Å; F76-L83 HydrophobicContact CZ-CG 4.3Å
77L97.9Very high94Very high0 Ų051.2 Ų51.20%028%0.276CS..Hα-helixtrans-64.1-31.7179.8-63.6176.3000112.6F49 I73 A74 L83 I88 F91 L92 T102 F106F49-L77 HydrophobicContact CE1-CD2 4.15Å; F49-L77 HydrophobicContact CE2-CD2 3.56Å; F49-L77 HydrophobicContact CZ-CD2 3.31Å; I73-L77 HydrophobicContact CG2-CD1 4Å; I73-L77 HydrophobicContact CG2-CG 4.24Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.3Å; I73-L77 PolarHBondContact O-N 2.92Å; A74-L77 PolarHBondContact O-N 3.49Å; L77-L83 HydrophobicContact CD2-CD1 4.3Å; L77-I88 HydrophobicContact CB-CG2 4.35Å; L77-I88 HydrophobicContact CD2-CG1 4.21Å; L77-F91 HydrophobicContact CD1-CD1 3.81Å; L77-F91 HydrophobicContact CD1-CE1 4.21Å; L77-L92 HydrophobicContact CD1-CD2 3.71Å; L77-L92 HydrophobicContact CD1-CG 4.19Å; L77-T102 HydrophobicContact CD1-CG2 3.96Å; L77-F106 HydrophobicContact CB-CD2 4.01Å; L77-F106 HydrophobicContact CB-CE2 3.87Å
78Y96.5Very high94Very high81 Ų8146.4 Ų46.432%0.31825%0.25SC..Hα-helixtrans-83.6-43.1-177.2-172.7-100.4000113A74 E75 F76 F106 L109 H110A74-Y78 VanDerWaalsContact O-CB 3.29Å; A74-Y78 WeakPolarHBondContact O-CB 3.3Å; A74-Y78 PolarHBondContact O-N 3.31Å; E75-Y78 PolarHBondContact O-N 3.46Å; F76-Y78 VanDerWaalsContact C-N 3.26Å; F76-Y78 PolarHBondContact O-N 2.91Å; Y78-F106 HydrophobicContact CD2-CD2 4.5Å; Y78-F106 HydrophobicContact CD2-CE2 4.05Å; Y78-F106 HydrophobicContact CD2-CZ 4.17Å; Y78-F106 HydrophobicContact CG-CE2 4.47Å; Y78-L109 HydrophobicContact CD1-CB 4.08Å; Y78-L109 HydrophobicContact CD1-CD1 4.18Å; Y78-L109 HydrophobicContact CD2-CB 4.25Å; Y78-L109 HydrophobicContact CE1-CB 4.29Å; Y78-L109 HydrophobicContact CE2-CB 4.46Å; Y78-L109 HydrophobicContact CG-CB 4.06Å; Y78-L109 HydrophobicContact CG-CD1 3.91Å; Y78-H110 AromaticContact CD2-CE1 3.72Å; Y78-H110 AromaticContact CE2-CE1 3.43Å; Y78-H110 VanDerWaalsContact CE2-CE1 3.43Å; Y78-H110 WeakPolarHBondContact CE2-CE1 3.26Å; Y78-H110 AromaticContact CE2-ND1 3.77Å; Y78-H110 AromaticContact CE2-NE2 3.62Å
79K93.2Very high93.9Very high136 Ų13644.9 Ų44.959%0.59123%0.234SC*.Hα-helixtrans-98.3-26.8-169.9-61.3179.2-179.1168.10114.2E75E75-K79 VanDerWaalsContact O-CB 3.32Å; E75-K79 WeakPolarHBondContact O-CB 3.47Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.06Å; E75-K79 IonicContact OE2-NZ 3.42Å
80E92.4Very high93.6Very high60 Ų6046.6 Ų46.628%0.2824%0.236SC..  trans-78127.1-172.4-17260-148.400111.7F42 K46 F76 L83F42-E80 HydrophobicContact CE1-CG 4.27Å; F42-E80 WeakPolarHBondContact CE1-OE1 3.41Å; F42-E80 HydrophobicContact CZ-CG 4.3Å; K46-E80 HydrophobicContact CD-CG 4.02Å; K46-E80 WeakPolarHBondContact CE-OE1 3.35Å; K46-E80 IonicContact NZ-OE1 3.85Å; K46-E80 PolarHBondContact NZ-OE1 3.13Å; F76-E80 HydrophobicContact CD2-CB 3.89Å; F76-E80 HydrophobicContact CD2-CG 4.08Å; F76-E80 HydrophobicContact CE2-CB 4.07Å; F76-E80 HydrophobicContact CE2-CG 3.81Å; F76-E80 WeakPolarHBondContact O-CB 3.35Å; F76-E80 PolarHBondContact O-N 3.31Å; E80-L83 HydrophobicContact CB-CD1 4.02Å; E80-L83 HydrophobicContact CB-CG 4.33Å; E80-L83 HydrophobicContact CG-CD1 4.46Å; E80-L83 HydrophobicContact CG-CG 4.33Å
81E88.1Confident93.6Very high164 Ų16446.1 Ų46.177%0.76623%0.231SC*.THydrogen-bonded Turntrans-75.1160.7177.4-63.7-173.2168.800112K46 L83K46-E81 WeakPolarHBondContact CE-O 3.06Å; K46-E81 PolarHBondContact NZ-O 3.35Å; E81-L83 PolarHBondContact O-N 3.29Å
82G83.8Confident93.6Very high59 Ų5939.7 Ų39.761%0.60820%0.203SC*.THydrogen-bonded Turntrans71.111.9173.900000115.5N50N50-G82 PolarHBondContact ND2-O 3.36Å
83L89.8Confident93.4Very high12 Ų1238.5 Ų38.56%0.06320%0.195CC..  trans-83.5135.4163-60.7-176.4000109.9K46 F49 N50 F76 L77 E80 E81 K85 I88K46-L83 HydrophobicContact CB-CD2 4.06Å; K46-L83 HydrophobicContact CG-CD2 3.92Å; F49-L83 HydrophobicContact CD1-CB 4.48Å; F49-L83 HydrophobicContact CD1-CD2 3.82Å; F49-L83 HydrophobicContact CE1-CB 4.4Å; F49-L83 HydrophobicContact CE1-CD2 4.42Å; F49-L83 HydrophobicContact CG-CD2 4.33Å; N50-L83 WeakPolarHBondContact OD1-CA 3.28Å; F76-L83 HydrophobicContact CD1-CD1 4.07Å; F76-L83 HydrophobicContact CE1-CD1 3.63Å; F76-L83 HydrophobicContact CE1-CD2 4.13Å; F76-L83 HydrophobicContact CE2-CD1 4.31Å; F76-L83 HydrophobicContact CE2-CD2 4.42Å; F76-L83 HydrophobicContact CZ-CD1 3.78Å; F76-L83 HydrophobicContact CZ-CD2 3.66Å; F76-L83 HydrophobicContact CZ-CG 4.3Å; L77-L83 HydrophobicContact CD2-CD1 4.3Å; E80-L83 HydrophobicContact CB-CD1 4.02Å; E80-L83 HydrophobicContact CB-CG 4.33Å; E80-L83 HydrophobicContact CG-CD1 4.46Å; E80-L83 HydrophobicContact CG-CG 4.33Å; E81-L83 PolarHBondContact O-N 3.29Å; L83-K85 PolarHBondContact O-N 3.42Å; L83-I88 HydrophobicContact CB-CD1 4.02Å; L83-I88 HydrophobicContact CB-CG1 4.36Å
84N85.6Confident93.3Very high37 Ų3740.4 Ų40.420%0.19820%0.204CC..  trans-69128.3175.6175.3-73.9000109.6N50 T86 A87 I88 D225N50-N84 HydrophobicContact CB-CB 4.02Å; N50-N84 PolarHBondContact OD1-N 3.38Å; N84-T86 VanDerWaalsContact C-N 3.33Å; N84-T86 PolarHBondContact O-N 3.08Å; N84-T86 WeakPolarHBondContact OD1-CA 3.15Å; N84-T86 WeakPolarHBondContact OD1-CB 3.43Å; N84-T86 PolarHBondContact OD1-N 2.79Å; N84-A87 HydrophobicContact CB-CB 4.02Å; N84-A87 WeakPolarHBondContact O-CB 3.29Å; N84-A87 PolarHBondContact O-N 3.35Å; N84-A87 PolarHBondContact OD1-N 3.17Å; N84-I88 WeakPolarHBondContact O-CG1 3.28Å; N84-I88 PolarHBondContact O-N 2.95Å; N84-I88 VanDerWaalsContact O-N 3.12Å; N84-D225 WeakPolarHBondContact CA-OD2 3.25Å; N84-D225 PolarHBondContact ND2-OD2 3.45Å
85K90.2Very high93.1Very high41 Ų4149.4 Ų49.418%0.17824%0.238CC..Hα-helixtrans-72.3-26.5-172.9-64.8-53.5-157.2175.10112.9L83 I88 G89 S127 R129 P223 D225L83-K85 PolarHBondContact O-N 3.42Å; K85-I88 HydrophobicContact CD-CD1 3.68Å; K85-G89 PolarHBondContact O-N 2.66Å; K85-G89 VanDerWaalsContact O-N 3.15Å; K85-S127 WeakPolarHBondContact CD-O 3.08Å; K85-S127 WeakPolarHBondContact CE-O 3.49Å; K85-S127 PolarHBondContact NZ-O 3.23Å; K85-R129 HydrophobicContact CB-CG 4Å; K85-R129 PolarHBondContact O-N 3.43Å; K85-P223 HydrophobicContact CB-CB 4.48Å; K85-P223 HydrophobicContact CB-CG 4.05Å; K85-P223 HydrophobicContact CG-CB 3.8Å; K85-P223 HydrophobicContact CG-CG 3.7Å; K85-D225 PolarHBondContact N-OD2 3.33Å
86T89Confident93Very high38 Ų3850.4 Ų50.423%0.23324%0.243CC..Hα-helixtrans-68.1-45.9171-52.50000111.1N84 I88 G89 E90N84-T86 VanDerWaalsContact C-N 3.33Å; N84-T86 PolarHBondContact O-N 3.08Å; N84-T86 WeakPolarHBondContact OD1-CA 3.15Å; N84-T86 WeakPolarHBondContact OD1-CB 3.43Å; N84-T86 PolarHBondContact OD1-N 2.79Å; T86-I88 VanDerWaalsContact C-N 3.28Å; T86-I88 PolarHBondContact O-N 3.35Å; T86-G89 PolarHBondContact O-N 3.12Å; T86-G89 VanDerWaalsContact O-N 3.09Å; T86-E90 PolarHBondContact O-N 3.31Å
87A90.8Very high92.9Very high6 Ų656.5 Ų56.55%0.0527%0.271CS..Hα-helixtrans-58.4-38.2174.400000112.6F49 P53 N84 F91F49-A87 HydrophobicContact CD1-CB 4.16Å; F49-A87 HydrophobicContact CE1-CB 3.7Å; F49-A87 HydrophobicContact CZ-CB 4.36Å; P53-A87 HydrophobicContact CG-CB 3.87Å; P53-A87 WeakPolarHBondContact CG-O 3.47Å; N84-A87 HydrophobicContact CB-CB 4.02Å; N84-A87 WeakPolarHBondContact O-CB 3.29Å; N84-A87 PolarHBondContact O-N 3.35Å; N84-A87 PolarHBondContact OD1-N 3.17Å; A87-F91 WeakPolarHBondContact O-CB 3.28Å; A87-F91 PolarHBondContact O-N 3.25Å
88I96.1Very high92.9Very high0 Ų059.8 Ų59.80%029%0.289CS..Hα-helixtrans-62.6-49.1173-62.5172000110.7F49 L77 L83 N84 K85 T86 E90 F91 L92 F106 F128F49-I88 HydrophobicContact CE1-CG1 3.96Å; F49-I88 HydrophobicContact CZ-CG1 4.15Å; L77-I88 HydrophobicContact CB-CG2 4.35Å; L77-I88 HydrophobicContact CD2-CG1 4.21Å; L83-I88 HydrophobicContact CB-CD1 4.02Å; L83-I88 HydrophobicContact CB-CG1 4.36Å; N84-I88 WeakPolarHBondContact O-CG1 3.28Å; N84-I88 PolarHBondContact O-N 2.95Å; N84-I88 VanDerWaalsContact O-N 3.12Å; K85-I88 HydrophobicContact CD-CD1 3.68Å; T86-I88 VanDerWaalsContact C-N 3.28Å; T86-I88 PolarHBondContact O-N 3.35Å; I88-E90 PolarHBondContact O-N 2.57Å; I88-F91 PolarHBondContact O-N 3.33Å; I88-L92 HydrophobicContact CG2-CD1 3.64Å; I88-L92 HydrophobicContact CG2-CG 4.15Å; I88-L92 WeakPolarHBondContact O-CB 3.44Å; I88-L92 WeakPolarHBondContact O-CG 3.35Å; I88-L92 PolarHBondContact O-N 3.26Å; I88-F106 HydrophobicContact CG2-CE2 4.39Å; I88-F106 HydrophobicContact CG2-CZ 4.31Å; I88-F128 HydrophobicContact CB-CB 4.08Å; I88-F128 HydrophobicContact CG2-CB 3.7Å
89G94Very high92.9Very high0 Ų056.2 Ų56.20%028%0.275CS..Hα-helixtrans-60.3-42.917900000113.1K85 T86 G93 R129K85-G89 PolarHBondContact O-N 2.66Å; K85-G89 VanDerWaalsContact O-N 3.15Å; T86-G89 PolarHBondContact O-N 3.12Å; T86-G89 VanDerWaalsContact O-N 3.09Å; G89-G93 PolarHBondContact O-N 2.83Å; G89-R129 WeakPolarHBondContact CA-O 3.2Å
90E91.9Very high93.2Very high89 Ų8953.3 Ų53.342%0.41627%0.265SS..Hα-helixtrans-60.1-47.9174.7-73.8-162.1171.900111.7T86 I88 G93T86-E90 PolarHBondContact O-N 3.31Å; I88-E90 PolarHBondContact O-N 2.57Å; E90-G93 PolarHBondContact O-N 3.09Å
91F97.1Very high93.4Very high5 Ų555.1 Ų55.12%0.02227%0.274CS..Hα-helixtrans-62.4-49.7179.5-172-85.7000111.7F49 P53 I57 I73 L77 A87 I88 G93 E94 H99 T102F49-F91 HydrophobicContact CE2-CB 4.5Å; F49-F91 HydrophobicContact CE2-CD2 4.38Å; F49-F91 HydrophobicContact CE2-CG 4.47Å; F49-F91 HydrophobicContact CZ-CB 4.47Å; P53-F91 HydrophobicContact CB-CB 3.82Å; P53-F91 HydrophobicContact CB-CD2 3.74Å; P53-F91 HydrophobicContact CB-CG 4.24Å; I57-F91 HydrophobicContact CB-CE2 4.23Å; I57-F91 HydrophobicContact CG1-CD2 4.28Å; I57-F91 HydrophobicContact CG1-CE2 3.66Å; I57-F91 HydrophobicContact CG1-CZ 3.96Å; I73-F91 HydrophobicContact CG2-CE1 3.87Å; I73-F91 HydrophobicContact CG2-CZ 4.11Å; L77-F91 HydrophobicContact CD1-CD1 3.81Å; L77-F91 HydrophobicContact CD1-CE1 4.21Å; A87-F91 WeakPolarHBondContact O-CB 3.28Å; A87-F91 PolarHBondContact O-N 3.25Å; I88-F91 PolarHBondContact O-N 3.33Å; F91-G93 PolarHBondContact O-N 2.86Å; F91-E94 PolarHBondContact O-N 3.38Å; F91-H99 AromaticContact CD1-ND1 3.55Å; F91-H99 AromaticContact CD2-CE1 3.37Å; F91-H99 WeakPolarHBondContact CD2-CE1 3.42Å; F91-H99 AromaticContact CD2-ND1 3.76Å; F91-H99 AromaticContact CE1-CE1 3.84Å; F91-H99 AromaticContact CE1-ND1 3.49Å; F91-H99 WeakPolarHBondContact CE1-ND1 3.39Å; F91-H99 AromaticContact CE2-CE1 3.18Å; F91-H99 WeakPolarHBondContact CE2-CE1 3.28Å; F91-H99 AromaticContact CE2-ND1 3.72Å; F91-H99 AromaticContact CG-CE1 3.78Å; F91-H99 AromaticContact CG-ND1 3.67Å; F91-H99 AromaticContact CZ-CE1 3.43Å; F91-H99 VanDerWaalsContact CZ-CE1 3.43Å; F91-H99 WeakPolarHBondContact CZ-CE1 3.41Å; F91-H99 AromaticContact CZ-ND1 3.58Å; F91-H99 PolarHBondContact O-ND1 3.32Å; F91-T102 HydrophobicContact CE1-CG2 4.11Å
92L97.8Very high93.9Very high0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-68.4-26.4-178-67.4178.1000112.7L77 I88 E94 T102 L103 F106 M140L77-L92 HydrophobicContact CD1-CD2 3.71Å; L77-L92 HydrophobicContact CD1-CG 4.19Å; I88-L92 HydrophobicContact CG2-CD1 3.64Å; I88-L92 HydrophobicContact CG2-CG 4.15Å; I88-L92 WeakPolarHBondContact O-CB 3.44Å; I88-L92 WeakPolarHBondContact O-CG 3.35Å; I88-L92 PolarHBondContact O-N 3.26Å; L92-E94 VanDerWaalsContact C-N 3.31Å; L92-E94 PolarHBondContact O-N 2.97Å; L92-T102 HydrophobicContact CD2-CG2 3.9Å; L92-L103 HydrophobicContact CB-CD1 4.26Å; L92-L103 HydrophobicContact CD2-CB 4.42Å; L92-F106 HydrophobicContact CD1-CB 4.47Å; L92-F106 HydrophobicContact CD1-CD1 3.6Å; L92-F106 HydrophobicContact CD1-CD2 4.04Å; L92-F106 HydrophobicContact CD1-CE1 3.65Å; L92-F106 HydrophobicContact CD1-CE2 4.08Å; L92-F106 HydrophobicContact CD1-CG 3.79Å; L92-F106 HydrophobicContact CD1-CZ 3.87Å; L92-F106 HydrophobicContact CD2-CB 4.16Å; L92-F106 HydrophobicContact CD2-CG 4.26Å; L92-M140 HydrophobicContact CB-CE 3.7Å; L92-M140 HydrophobicContact CD1-CE 4.03Å
93G94.6Very high94.6Very high0 Ų044.8 Ų44.80%021%0.21CC..THydrogen-bonded Turntrans-75.9-12.4179.600000114.4G89 E90 F91 K136 R139G89-G93 PolarHBondContact O-N 2.83Å; E90-G93 PolarHBondContact O-N 3.09Å; F91-G93 PolarHBondContact O-N 2.86Å; G93-K136 WeakPolarHBondContact O-CG 3.41Å; G93-R139 PolarHBondContact O-NE 2.99Å; G93-R139 PolarHBondContact O-NH2 3.48Å
94E96.1Very high95Very high42 Ų4250.1 Ų50.120%0.19623%0.232CC..  trans-66.8156.8-176.9-71-55.8146.200113.9F91 L92 H99 K136F91-E94 PolarHBondContact O-N 3.38Å; L92-E94 VanDerWaalsContact C-N 3.31Å; L92-E94 PolarHBondContact O-N 2.97Å; E94-H99 HydrophobicContact CB-CB 3.83Å; E94-K136 WeakPolarHBondContact OE1-CE 3.35Å; E94-K136 IonicContact OE1-NZ 3Å; E94-K136 PolarHBondContact OE1-NZ 3.13Å
95R94.1Very high95.6Very high189 Ų18949 Ų4971%0.71323%0.228SC*.  trans-90.8-7.2-175.167.9178.3179.1179.4-0.5114.8
96E95.9Very high96Very high87 Ų8747 Ų4741%0.40722%0.22SC..SBendtrans-72146.4-176.8-77.9153.2-146.500110.6K54 L98 H99 L100K54-E96 IonicContact NZ-OE1 3.03Å; K54-E96 PolarHBondContact NZ-OE1 3.25Å; K54-E96 IonicContact NZ-OE2 2.63Å; K54-E96 PolarHBondContact NZ-OE2 3.47Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.3Å; E96-H99 WeakPolarHBondContact O-CA 3.44Å; E96-H99 WeakPolarHBondContact O-CB 3.36Å; E96-H99 PolarHBondContact O-N 2.93Å; E96-H99 IonicContact OE2-CD2 3.79Å; E96-H99 IonicContact OE2-NE2 3.46Å; E96-H99 PolarHBondContact OE2-NE2 2.9Å; E96-L100 PolarHBondContact O-N 2.9Å
97E96.6Very high96.4Very high141 Ų14145.5 Ų45.566%0.65921%0.21SC*.Hα-helixtrans-58.8-41-168.7-177.6155.8-168.100113.8H99 L100 Q101E97-H99 VanDerWaalsContact C-N 3.27Å; E97-H99 PolarHBondContact O-N 3.35Å; E97-L100 PolarHBondContact O-N 3.19Å; E97-Q101 HydrophobicContact CG-CG 4.46Å; E97-Q101 WeakPolarHBondContact O-CG 3.42Å; E97-Q101 PolarHBondContact O-N 3.13Å; E97-Q101 PolarHBondContact OE1-NE2 3.25Å
98L97.1Very high96.8Very high69 Ų6949.5 Ų49.536%0.36123%0.228SC..Hα-helixtrans-57.8-41.7174.117965000111.8A70 I73 E96 T102A70-L98 HydrophobicContact CB-CD1 4.29Å; I73-L98 HydrophobicContact CD1-CD1 4.2Å; I73-L98 HydrophobicContact CD1-CD2 4.23Å; I73-L98 HydrophobicContact CD1-CG 4.46Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.3Å; L98-T102 VanDerWaalsContact O-CB 3.31Å; L98-T102 WeakPolarHBondContact O-CB 3.46Å; L98-T102 PolarHBondContact O-N 3.28Å; L98-T102 PolarHBondContact O-OG1 3.27Å
99H97.7Very high96.8Very high6 Ų651.7 Ų51.73%0.02824%0.239CC..Hα-helixtrans-70.1-40.3-179.2-67-98.9000111.3F91 E94 E96 E97 T102 L103F91-H99 AromaticContact CD1-ND1 3.55Å; F91-H99 AromaticContact CD2-CE1 3.37Å; F91-H99 WeakPolarHBondContact CD2-CE1 3.42Å; F91-H99 AromaticContact CD2-ND1 3.76Å; F91-H99 AromaticContact CE1-CE1 3.84Å; F91-H99 AromaticContact CE1-ND1 3.49Å; F91-H99 WeakPolarHBondContact CE1-ND1 3.39Å; F91-H99 AromaticContact CE2-CE1 3.18Å; F91-H99 WeakPolarHBondContact CE2-CE1 3.28Å; F91-H99 AromaticContact CE2-ND1 3.72Å; F91-H99 AromaticContact CG-CE1 3.78Å; F91-H99 AromaticContact CG-ND1 3.67Å; F91-H99 AromaticContact CZ-CE1 3.43Å; F91-H99 VanDerWaalsContact CZ-CE1 3.43Å; F91-H99 WeakPolarHBondContact CZ-CE1 3.41Å; F91-H99 AromaticContact CZ-ND1 3.58Å; F91-H99 PolarHBondContact O-ND1 3.32Å; E94-H99 HydrophobicContact CB-CB 3.83Å; E96-H99 WeakPolarHBondContact O-CA 3.44Å; E96-H99 WeakPolarHBondContact O-CB 3.36Å; E96-H99 PolarHBondContact O-N 2.93Å; E96-H99 IonicContact OE2-CD2 3.79Å; E96-H99 IonicContact OE2-NE2 3.46Å; E96-H99 PolarHBondContact OE2-NE2 2.9Å; E97-H99 VanDerWaalsContact C-N 3.27Å; E97-H99 PolarHBondContact O-N 3.35Å; H99-T102 PolarHBondContact O-N 2.96Å; H99-L103 WeakPolarHBondContact O-CB 3.45Å; H99-L103 PolarHBondContact O-N 3.11Å
100L97.6Very high97Very high74 Ų7451.7 Ų51.739%0.38724%0.239SC..Hα-helixtrans-62.6-44.6174.7-62.5178.3000112E96 E97 T102 L103 K104E96-L100 PolarHBondContact O-N 2.9Å; E97-L100 PolarHBondContact O-N 3.19Å; L100-T102 VanDerWaalsContact C-N 3.33Å; L100-L103 PolarHBondContact O-N 2.99Å; L100-K104 PolarHBondContact O-N 3.19Å
101Q98.3Very high97.2Very high99 Ų9955.3 Ų55.346%0.46326%0.256SS..Hα-helixtrans-65.4-38.1175.3-68.8177.87.700111.6A70 E97 K104 A105A70-Q101 HydrophobicContact CB-CB 3.64Å; E97-Q101 HydrophobicContact CG-CG 4.46Å; E97-Q101 WeakPolarHBondContact O-CG 3.42Å; E97-Q101 PolarHBondContact O-N 3.13Å; E97-Q101 PolarHBondContact OE1-NE2 3.25Å; Q101-K104 PolarHBondContact O-N 2.71Å; Q101-A105 PolarHBondContact O-N 3.49Å
102T98.6Very high97.2Very high0 Ų055.1 Ų55.10%026%0.255CS..Hα-helixtrans-65.8-43.6176.3-57.30000110.8I73 A74 L77 F91 L92 L98 H99 L100 K104 A105 F106I73-T102 HydrophobicContact CB-CG2 4.11Å; I73-T102 HydrophobicContact CG2-CG2 3.72Å; A74-T102 HydrophobicContact CB-CG2 4.05Å; L77-T102 HydrophobicContact CD1-CG2 3.96Å; F91-T102 HydrophobicContact CE1-CG2 4.11Å; L92-T102 HydrophobicContact CD2-CG2 3.9Å; L98-T102 VanDerWaalsContact O-CB 3.31Å; L98-T102 WeakPolarHBondContact O-CB 3.46Å; L98-T102 PolarHBondContact O-N 3.28Å; L98-T102 PolarHBondContact O-OG1 3.27Å; H99-T102 PolarHBondContact O-N 2.96Å; L100-T102 VanDerWaalsContact C-N 3.33Å; T102-K104 VanDerWaalsContact C-N 3.34Å; T102-K104 PolarHBondContact O-N 2.82Å; T102-A105 PolarHBondContact O-N 3.48Å; T102-F106 WeakPolarHBondContact O-CB 3.42Å; T102-F106 PolarHBondContact O-N 2.8Å
103L98.4Very high97Very high6 Ų657.8 Ų57.83%0.03128%0.278CS..Hα-helixtrans-59.2-44.4174.7172.262.4000111.4L92 H99 L100 F106 V107 R139 M140 A143L92-L103 HydrophobicContact CB-CD1 4.26Å; L92-L103 HydrophobicContact CD2-CB 4.42Å; H99-L103 WeakPolarHBondContact O-CB 3.45Å; H99-L103 PolarHBondContact O-N 3.11Å; L100-L103 PolarHBondContact O-N 2.99Å; L103-F106 WeakPolarHBondContact O-CB 3.43Å; L103-F106 PolarHBondContact O-N 3.12Å; L103-V107 HydrophobicContact CD1-CG1 4.2Å; L103-V107 PolarHBondContact O-N 2.85Å; L103-R139 HydrophobicContact CD2-CB 4.37Å; L103-M140 HydrophobicContact CD1-CE 4.33Å; L103-M140 HydrophobicContact CD1-CG 4.37Å; L103-M140 HydrophobicContact CD2-CG 4.39Å; L103-A143 HydrophobicContact CD1-CB 4.25Å; L103-A143 HydrophobicContact CD2-CB 3.93Å; L103-A143 HydrophobicContact CG-CB 3.88Å
104K98Very high96.9Very high124 Ų12465.2 Ų65.254%0.53932%0.317SS..Hα-helixtrans-59.2-50.8175.2-175.3176.1176.2177.50111.7L100 Q101 T102 F106 V107 E108L100-K104 PolarHBondContact O-N 3.19Å; Q101-K104 PolarHBondContact O-N 2.71Å; T102-K104 VanDerWaalsContact C-N 3.34Å; T102-K104 PolarHBondContact O-N 2.82Å; K104-F106 VanDerWaalsContact C-N 3.25Å; K104-F106 PolarHBondContact O-N 3.29Å; K104-V107 WeakPolarHBondContact O-CG2 3.29Å; K104-V107 PolarHBondContact O-N 2.95Å; K104-E108 WeakPolarHBondContact CE-OE1 3.14Å; K104-E108 VanDerWaalsContact O-CG 3.32Å; K104-E108 WeakPolarHBondContact O-CG 3.37Å; K104-E108 PolarHBondContact O-N 3.34Å; K104-E108 VanDerWaalsContact O-N 3.08Å
105A98.4Very high96.9Very high13 Ų1365 Ų6511%0.10732%0.317CS..Hα-helixtrans-62.5-34177.100000112.2A74 Q101 T102 E108 L109A74-A105 HydrophobicContact CB-CB 3.62Å; Q101-A105 PolarHBondContact O-N 3.49Å; T102-A105 PolarHBondContact O-N 3.48Å; A105-E108 PolarHBondContact O-N 3.49Å; A105-L109 WeakPolarHBondContact O-CG 3.44Å; A105-L109 PolarHBondContact O-N 3.36Å
106F98.6Very high96.9Very high0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-68.5-42178.8-175.8-90.7000112.4A74 L77 Y78 I88 L92 T102 L103 K104 E108 L109 H110 F128A74-F106 HydrophobicContact CB-CB 4.06Å; L77-F106 HydrophobicContact CB-CD2 4.01Å; L77-F106 HydrophobicContact CB-CE2 3.87Å; Y78-F106 HydrophobicContact CD2-CD2 4.5Å; Y78-F106 HydrophobicContact CD2-CE2 4.05Å; Y78-F106 HydrophobicContact CD2-CZ 4.17Å; Y78-F106 HydrophobicContact CG-CE2 4.47Å; I88-F106 HydrophobicContact CG2-CE2 4.39Å; I88-F106 HydrophobicContact CG2-CZ 4.31Å; L92-F106 HydrophobicContact CD1-CB 4.47Å; L92-F106 HydrophobicContact CD1-CD1 3.6Å; L92-F106 HydrophobicContact CD1-CD2 4.04Å; L92-F106 HydrophobicContact CD1-CE1 3.65Å; L92-F106 HydrophobicContact CD1-CE2 4.08Å; L92-F106 HydrophobicContact CD1-CG 3.79Å; L92-F106 HydrophobicContact CD1-CZ 3.87Å; L92-F106 HydrophobicContact CD2-CB 4.16Å; L92-F106 HydrophobicContact CD2-CG 4.26Å; T102-F106 WeakPolarHBondContact O-CB 3.42Å; T102-F106 PolarHBondContact O-N 2.8Å; L103-F106 WeakPolarHBondContact O-CB 3.43Å; L103-F106 PolarHBondContact O-N 3.12Å; K104-F106 VanDerWaalsContact C-N 3.25Å; K104-F106 PolarHBondContact O-N 3.29Å; F106-E108 VanDerWaalsContact C-N 3.31Å; F106-L109 WeakPolarHBondContact O-CB 3.39Å; F106-L109 PolarHBondContact O-N 2.87Å; F106-H110 AromaticContact CD1-CE1 3.79Å; F106-H110 AromaticContact CE1-CE1 3.51Å; F106-H110 PolarHBondContact O-CE1 3.44Å; F106-H110 PolarHBondContact O-ND1 3.42Å; F106-F128 AromaticContact CE1-CD1 3.84Å; F106-F128 HydrophobicContact CE1-CD1 3.84Å; F106-F128 HydrophobicContact CE1-CE1 4.33Å; F106-F128 HydrophobicContact CZ-CD1 4.27Å
107V97.8Very high96.9Very high6 Ų654.9 Ų54.94%0.03628%0.278CS..Hα-helixtrans-68.6-32.2173.9-62.80000111.8L103 K104 L109 H110 F124 A143 R147L103-V107 HydrophobicContact CD1-CG1 4.2Å; L103-V107 PolarHBondContact O-N 2.85Å; K104-V107 WeakPolarHBondContact O-CG2 3.29Å; K104-V107 PolarHBondContact O-N 2.95Å; V107-L109 PolarHBondContact O-N 3.12Å; V107-H110 WeakPolarHBondContact O-CB 3.2Å; V107-H110 PolarHBondContact O-N 3.28Å; V107-F124 HydrophobicContact CG1-CE2 3.68Å; V107-F124 HydrophobicContact CG1-CZ 4.25Å; V107-A143 HydrophobicContact CG1-CB 4.01Å; V107-A143 HydrophobicContact CG2-CB 4.34Å; V107-R147 HydrophobicContact CB-CB 4.19Å; V107-R147 HydrophobicContact CB-CG 4.27Å; V107-R147 HydrophobicContact CG2-CB 4.1Å; V107-R147 HydrophobicContact CG2-CG 4.41Å
108E97.4Very high96.9Very high89 Ų8948.1 Ų48.142%0.41625%0.247SC..Hα-helixtrans-63.4-27.7175.9-74.9170.2-173.300113K104 A105 F106 H110 R147K104-E108 WeakPolarHBondContact CE-OE1 3.14Å; K104-E108 VanDerWaalsContact O-CG 3.32Å; K104-E108 WeakPolarHBondContact O-CG 3.37Å; K104-E108 PolarHBondContact O-N 3.34Å; K104-E108 VanDerWaalsContact O-N 3.08Å; A105-E108 PolarHBondContact O-N 3.49Å; F106-E108 VanDerWaalsContact C-N 3.31Å; E108-H110 PolarHBondContact O-N 3.01Å; E108-R147 PolarHBondContact O-NH2 3.05Å; E108-R147 VanDerWaalsContact O-NH2 3.13Å
109L97.6Very high96.9Very high47 Ų4748 Ų4825%0.24625%0.246CC..THydrogen-bonded Turntrans-70.6-12.6173.6-66.3170.8000113.5A74 E75 Y78 A105 F106 V107A74-L109 HydrophobicContact CB-CD1 4.31Å; E75-L109 HydrophobicContact CG-CD1 4.06Å; E75-L109 HydrophobicContact CG-CD2 4.16Å; Y78-L109 HydrophobicContact CD1-CB 4.08Å; Y78-L109 HydrophobicContact CD1-CD1 4.18Å; Y78-L109 HydrophobicContact CD2-CB 4.25Å; Y78-L109 HydrophobicContact CE1-CB 4.29Å; Y78-L109 HydrophobicContact CE2-CB 4.46Å; Y78-L109 HydrophobicContact CG-CB 4.06Å; Y78-L109 HydrophobicContact CG-CD1 3.91Å; A105-L109 WeakPolarHBondContact O-CG 3.44Å; A105-L109 PolarHBondContact O-N 3.36Å; F106-L109 WeakPolarHBondContact O-CB 3.39Å; F106-L109 PolarHBondContact O-N 2.87Å; V107-L109 PolarHBondContact O-N 3.12Å
110H97.4Very high96.8Very high0 Ų047.8 Ų47.80%025%0.245CC..SBendtrans-87.2132.2175.3-63.367.6000111.1Y78 F106 V107 E108 F112 F124 S127Y78-H110 AromaticContact CD2-CE1 3.72Å; Y78-H110 AromaticContact CE2-CE1 3.43Å; Y78-H110 VanDerWaalsContact CE2-CE1 3.43Å; Y78-H110 WeakPolarHBondContact CE2-CE1 3.26Å; Y78-H110 AromaticContact CE2-ND1 3.77Å; Y78-H110 AromaticContact CE2-NE2 3.62Å; F106-H110 AromaticContact CD1-CE1 3.79Å; F106-H110 AromaticContact CE1-CE1 3.51Å; F106-H110 PolarHBondContact O-CE1 3.44Å; F106-H110 PolarHBondContact O-ND1 3.42Å; V107-H110 WeakPolarHBondContact O-CB 3.2Å; V107-H110 PolarHBondContact O-N 3.28Å; E108-H110 PolarHBondContact O-N 3.01Å; H110-F112 HydrophobicContact CB-CD1 3.98Å; H110-F112 HydrophobicContact CB-CD2 4.47Å; H110-F112 HydrophobicContact CB-CE1 3.38Å; H110-F112 HydrophobicContact CB-CE2 3.91Å; H110-F112 HydrophobicContact CB-CG 4.48Å; H110-F112 HydrophobicContact CB-CZ 3.31Å; H110-F112 AromaticContact CD2-CE1 3.94Å; H110-F112 AromaticContact CD2-CZ 3.92Å; H110-F112 AromaticContact CG-CE1 3.98Å; H110-F112 AromaticContact CG-CZ 3.74Å; H110-F112 PolarHBondContact O-N 2.8Å; H110-F124 AromaticContact NE2-CD2 3.89Å; H110-S127 PolarHBondContact NE2-OG 3.32Å
111E95.6Very high96.7Very high165 Ų16544.2 Ų44.277%0.77123%0.226SC*.  trans-93.887.7178.9-65-17717600110.3L115E111-L115 WeakPolarHBondContact O-CD1 3.29Å
112F97.3Very high96.6Very high0 Ų041 Ų410%021%0.21CC..  trans-92.3-2.5-178.6-60.1-32.3000114.9H110 D114 L115 A120 Q123 F124 F144 R147 Y148 C151 N152H110-F112 HydrophobicContact CB-CD1 3.98Å; H110-F112 HydrophobicContact CB-CD2 4.47Å; H110-F112 HydrophobicContact CB-CE1 3.38Å; H110-F112 HydrophobicContact CB-CE2 3.91Å; H110-F112 HydrophobicContact CB-CG 4.48Å; H110-F112 HydrophobicContact CB-CZ 3.31Å; H110-F112 AromaticContact CD2-CE1 3.94Å; H110-F112 AromaticContact CD2-CZ 3.92Å; H110-F112 AromaticContact CG-CE1 3.98Å; H110-F112 AromaticContact CG-CZ 3.74Å; H110-F112 PolarHBondContact O-N 2.8Å; F112-D114 PolarHBondContact O-N 2.94Å; F112-L115 PolarHBondContact O-N 3.42Å; F112-A120 HydrophobicContact CB-CB 4.32Å; F112-A120 HydrophobicContact CD1-CB 3.61Å; F112-A120 HydrophobicContact CE1-CB 4.02Å; F112-A120 HydrophobicContact CG-CB 3.97Å; F112-Q123 HydrophobicContact CE1-CB 4.46Å; F112-F124 HydrophobicContact CE1-CB 4.44Å; F112-F124 HydrophobicContact CZ-CB 4.08Å; F112-F124 HydrophobicContact CZ-CD2 4.3Å; F112-F124 HydrophobicContact CZ-CG 4.47Å; F112-F144 HydrophobicContact CD2-CE2 4.39Å; F112-F144 HydrophobicContact CE1-CE2 4.13Å; F112-F144 AromaticContact CE2-CD2 3.67Å; F112-F144 HydrophobicContact CE2-CD2 3.67Å; F112-F144 AromaticContact CE2-CE2 3.74Å; F112-F144 HydrophobicContact CE2-CE2 3.74Å; F112-F144 AromaticContact CZ-CD2 3.67Å; F112-F144 HydrophobicContact CZ-CD2 3.67Å; F112-F144 AromaticContact CZ-CE2 3.59Å; F112-F144 HydrophobicContact CZ-CE2 3.59Å; F112-R147 HydrophobicContact CD2-CB 4.33Å; F112-R147 HydrophobicContact CD2-CG 3.7Å; F112-R147 HydrophobicContact CE2-CB 4.25Å; F112-R147 HydrophobicContact CE2-CG 3.8Å; F112-Y148 HydrophobicContact CB-CD2 4.28Å; F112-C151 HydrophobicContact CB-CB 4.03Å; F112-N152 PolarHBondContact O-ND2 3.46Å
113A95.1Very high96.4Very high57 Ų5744.8 Ų44.847%0.47123%0.227SC..THydrogen-bonded Turntrans-59.9136.7179.100000110.6L115A113-L115 PolarHBondContact O-N 3.42Å
114D91.8Very high96.2Very high156 Ų15644.5 Ų44.583%0.83423%0.226SC*.THydrogen-bonded Turntrans60.85.8179.7-55.4-46000115.5F112 N152F112-D114 PolarHBondContact O-N 2.94Å; D114-N152 PolarHBondContact N-OD1 3.34Å
115L95.3Very high95.9Very high37 Ų3738.7 Ų38.719%0.19420%0.201CC..  trans-90.3133.4171.9-61.5-174.7000110E111 F112 A113 L119 A120 Y148E111-L115 WeakPolarHBondContact O-CD1 3.29Å; F112-L115 PolarHBondContact O-N 3.42Å; A113-L115 PolarHBondContact O-N 3.42Å; L115-L119 HydrophobicContact CB-CB 4.19Å; L115-L119 HydrophobicContact CD2-CB 4.3Å; L115-L119 HydrophobicContact CD2-CD1 4.18Å; L115-A120 HydrophobicContact CB-CB 4.46Å; L115-Y148 VanDerWaalsContact O-CE2 3.3Å; L115-Y148 WeakPolarHBondContact O-CE2 3.2Å; L115-Y148 PolarHBondContact O-OH 3.15Å; L115-Y148 VanDerWaalsContact O-OH 3.12Å
116H94.5Very high95.6Very high62 Ų6244.8 Ų44.829%0.28722%0.221SC..  trans-71.3157.7167.268.271.8000111V118 L119 A120H116-V118 VanDerWaalsContact C-N 3.31Å; H116-V118 PolarHBondContact ND1-N 2.86Å; H116-V118 PolarHBondContact O-N 2.96Å; H116-V118 VanDerWaalsContact O-N 3.07Å; H116-L119 VanDerWaalsContact CE1-CG 3.48Å; H116-L119 WeakPolarHBondContact CE1-CG 3.46Å; H116-L119 PolarHBondContact ND1-N 3.42Å; H116-L119 WeakPolarHBondContact NE2-CD1 3.27Å; H116-L119 WeakPolarHBondContact NE2-CG 3.35Å; H116-L119 PolarHBondContact O-N 3.48Å; H116-A120 PolarHBondContact O-N 3.2Å
117L96.8Very high95.3Very high1 Ų145.3 Ų45.31%0.00523%0.225CC..Hα-helixtrans-51.5-41.6-168.7-172.259.9000114.7A120 L121 F144 Y148 F156 L165 I169 L211L117-A120 PolarHBondContact O-N 3.06Å; L117-L121 HydrophobicContact CG-CD1 4.2Å; L117-L121 WeakPolarHBondContact O-CB 3.36Å; L117-L121 WeakPolarHBondContact O-CG 3.37Å; L117-L121 PolarHBondContact O-N 2.86Å; L117-F144 HydrophobicContact CD1-CE1 3.72Å; L117-F144 HydrophobicContact CD1-CZ 3.91Å; L117-Y148 HydrophobicContact CB-CE2 4.29Å; L117-Y148 HydrophobicContact CD1-CD1 4.09Å; L117-Y148 HydrophobicContact CD1-CD2 3.95Å; L117-Y148 HydrophobicContact CD1-CE1 4.17Å; L117-Y148 HydrophobicContact CD1-CE2 3.98Å; L117-Y148 HydrophobicContact CD1-CG 3.99Å; L117-Y148 PolarHBondContact N-OH 3.27Å; L117-F156 HydrophobicContact CB-CZ 4.4Å; L117-F156 HydrophobicContact CD1-CE2 4.39Å; L117-F156 HydrophobicContact CD2-CE2 4.06Å; L117-F156 HydrophobicContact CD2-CZ 3.79Å; L117-L165 HydrophobicContact CD2-CB 4.12Å; L117-L165 HydrophobicContact CD2-CD2 3.8Å; L117-L165 HydrophobicContact CD2-CG 3.92Å; L117-I169 HydrophobicContact CB-CD1 4.22Å; L117-I169 HydrophobicContact CD2-CD1 3.52Å; L117-I169 HydrophobicContact CG-CD1 3.81Å; L117-L211 HydrophobicContact CB-CD2 3.89Å
118V96.5Very high95Very high0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-61.8-41.2175.7171.10000113H116 L121 R122 I169 L211 S214 I215H116-V118 VanDerWaalsContact C-N 3.31Å; H116-V118 PolarHBondContact ND1-N 2.86Å; H116-V118 PolarHBondContact O-N 2.96Å; H116-V118 VanDerWaalsContact O-N 3.07Å; V118-L121 PolarHBondContact O-N 3.36Å; V118-R122 WeakPolarHBondContact O-CG 3.49Å; V118-R122 PolarHBondContact O-N 3.23Å; V118-I169 HydrophobicContact CG2-CD1 4.04Å; V118-I169 HydrophobicContact CG2-CG1 4.4Å; V118-I169 HydrophobicContact CG2-CG2 3.73Å; V118-L211 HydrophobicContact CB-CD2 4.32Å; V118-L211 HydrophobicContact CG2-CB 4.1Å; V118-L211 HydrophobicContact CG2-CD2 3.73Å; V118-S214 VanDerWaalsContact CG1-OG 3.26Å; V118-S214 WeakPolarHBondContact CG1-OG 3.43Å; V118-I215 HydrophobicContact CB-CD1 4.43Å; V118-I215 HydrophobicContact CG1-CD1 3.57Å; V118-I215 HydrophobicContact CG1-CG1 4.14Å; V118-I215 HydrophobicContact CG2-CD1 3.97Å; V118-I215 HydrophobicContact CG2-CG1 3.83Å
119L95.7Very high94.4Very high67 Ų6741.6 Ų41.635%0.35121%0.206SC..Hα-helixtrans-68.5-41.3178.9-71.6173.6000111.4L115 H116 L121 R122 Q123L115-L119 HydrophobicContact CB-CB 4.19Å; L115-L119 HydrophobicContact CD2-CB 4.3Å; L115-L119 HydrophobicContact CD2-CD1 4.18Å; H116-L119 VanDerWaalsContact CE1-CG 3.48Å; H116-L119 WeakPolarHBondContact CE1-CG 3.46Å; H116-L119 PolarHBondContact ND1-N 3.42Å; H116-L119 WeakPolarHBondContact NE2-CD1 3.27Å; H116-L119 WeakPolarHBondContact NE2-CG 3.35Å; H116-L119 PolarHBondContact O-N 3.48Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 3.42Å; L119-R122 WeakPolarHBondContact O-CB 3.39Å; L119-R122 PolarHBondContact O-N 2.92Å; L119-Q123 PolarHBondContact O-N 3.29Å
120A97.2Very high93.7Very high0 Ų040.4 Ų40.40%020%0.2CC..Hα-helixtrans-60.4-43.9173.500000111.3F112 L115 H116 L117 R122 Q123 F124 F144 Y148F112-A120 HydrophobicContact CB-CB 4.32Å; F112-A120 HydrophobicContact CD1-CB 3.61Å; F112-A120 HydrophobicContact CE1-CB 4.02Å; F112-A120 HydrophobicContact CG-CB 3.97Å; L115-A120 HydrophobicContact CB-CB 4.46Å; H116-A120 PolarHBondContact O-N 3.2Å; L117-A120 PolarHBondContact O-N 3.06Å; A120-R122 PolarHBondContact O-N 2.9Å; A120-Q123 PolarHBondContact O-N 3.2Å; A120-F124 WeakPolarHBondContact O-CB 3.48Å; A120-F124 PolarHBondContact O-N 2.72Å; A120-F144 HydrophobicContact CB-CE2 4Å; A120-F144 HydrophobicContact CB-CZ 3.92Å; A120-Y148 HydrophobicContact CB-CD2 3.53Å; A120-Y148 HydrophobicContact CB-CE2 3.69Å
121L95.3Very high92.7Very high0 Ų040.8 Ų40.80%020%0.202CC..Hα-helixtrans-61.2-40.3174.3-78.9168.2000112.4L117 V118 L119 F124 L125 M141 F144 I169 F220L117-L121 HydrophobicContact CG-CD1 4.2Å; L117-L121 WeakPolarHBondContact O-CB 3.36Å; L117-L121 WeakPolarHBondContact O-CG 3.37Å; L117-L121 PolarHBondContact O-N 2.86Å; V118-L121 PolarHBondContact O-N 3.36Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 3.42Å; L121-F124 PolarHBondContact O-N 2.98Å; L121-L125 VanDerWaalsContact O-CB 3.29Å; L121-L125 WeakPolarHBondContact O-CB 3.29Å; L121-L125 VanDerWaalsContact O-CG 3.25Å; L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 3.04Å; L121-M141 HydrophobicContact CD2-CE 3.95Å; L121-F144 HydrophobicContact CB-CZ 4.45Å; L121-F144 HydrophobicContact CD2-CD1 4.08Å; L121-F144 HydrophobicContact CD2-CE1 3.54Å; L121-F144 HydrophobicContact CD2-CE2 4.28Å; L121-F144 HydrophobicContact CD2-CZ 3.65Å; L121-F144 HydrophobicContact CG-CE1 3.88Å; L121-F144 HydrophobicContact CG-CE2 4.5Å; L121-F144 HydrophobicContact CG-CZ 3.67Å; L121-I169 HydrophobicContact CD1-CB 4.17Å; L121-I169 HydrophobicContact CD1-CD1 4.14Å; L121-I169 HydrophobicContact CD1-CG2 3.83Å; L121-F220 HydrophobicContact CB-CE1 3.74Å; L121-F220 HydrophobicContact CB-CZ 3.84Å; L121-F220 HydrophobicContact CD1-CZ 4.14Å
122R94.7Very high91.3Very high32 Ų3234.5 Ų34.512%0.12118%0.182CC..Hα-helixtrans-60.1-47.2175.8-74.4176.7-163.9-70.9-6.3111.5V118 L119 A120 W126 S214 E218 P219 F220V118-R122 WeakPolarHBondContact O-CG 3.49Å; V118-R122 PolarHBondContact O-N 3.23Å; L119-R122 WeakPolarHBondContact O-CB 3.39Å; L119-R122 PolarHBondContact O-N 2.92Å; A120-R122 PolarHBondContact O-N 2.9Å; R122-W126 VanDerWaalsContact O-CB 3.28Å; R122-W126 WeakPolarHBondContact O-CB 3.37Å; R122-W126 PolarHBondContact O-N 3.18Å; R122-W126 VanDerWaalsContact O-N 3.09Å; R122-S214 PolarHBondContact NH2-O 3.19Å; R122-E218 VanDerWaalsContact CZ-O 3.31Å; R122-E218 PolarHBondContact NH1-O 2.79Å; R122-E218 VanDerWaalsContact NH1-O 3.12Å; R122-E218 IonicContact NH1-OE2 2.68Å; R122-E218 PolarHBondContact NH2-O 2.96Å; R122-P219 PolarHBondContact NH1-O 3.03Å; R122-F220 HydrophobicContact CG-CD1 3.72Å; R122-F220 HydrophobicContact CG-CE1 3.78Å
123Q94.8Very high90.1Very high78 Ų7838.9 Ų38.936%0.36420%0.203SC..Hα-helixtrans-63-45.7177.8-70.9-173.8-5.100111.4F112 L119 A120 W126 S127F112-Q123 HydrophobicContact CE1-CB 4.46Å; L119-Q123 PolarHBondContact O-N 3.29Å; A120-Q123 PolarHBondContact O-N 3.2Å; Q123-W126 PolarHBondContact O-N 3.29Å; Q123-S127 PolarHBondContact O-N 2.97Å; Q123-S127 PolarHBondContact O-OG 3.34Å
124F95.5Very high88.8Confident0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-62.8-49.9-179-173.6-120.9000112.5V107 H110 F112 A120 L121 W126 S127 F128 M141 F144V107-F124 HydrophobicContact CG1-CE2 3.68Å; V107-F124 HydrophobicContact CG1-CZ 4.25Å; H110-F124 AromaticContact NE2-CD2 3.89Å; F112-F124 HydrophobicContact CE1-CB 4.44Å; F112-F124 HydrophobicContact CZ-CB 4.08Å; F112-F124 HydrophobicContact CZ-CD2 4.3Å; F112-F124 HydrophobicContact CZ-CG 4.47Å; A120-F124 WeakPolarHBondContact O-CB 3.48Å; A120-F124 PolarHBondContact O-N 2.72Å; L121-F124 PolarHBondContact O-N 2.98Å; F124-W126 PolarHBondContact O-N 3.43Å; F124-S127 WeakPolarHBondContact O-CB 3.36Å; F124-S127 PolarHBondContact O-N 2.92Å; F124-S127 VanDerWaalsContact O-N 3.13Å; F124-F128 HydrophobicContact CD1-CE1 4.02Å; F124-F128 AromaticContact CD1-CZ 3.91Å; F124-F128 HydrophobicContact CD1-CZ 3.91Å; F124-F128 AromaticContact CD2-CE1 3.73Å; F124-F128 HydrophobicContact CD2-CE1 3.73Å; F124-F128 HydrophobicContact CD2-CZ 4.39Å; F124-F128 AromaticContact CE1-CE1 3.77Å; F124-F128 HydrophobicContact CE1-CE1 3.77Å; F124-F128 AromaticContact CE1-CZ 3.42Å; F124-F128 HydrophobicContact CE1-CZ 3.42Å; F124-F128 VanDerWaalsContact CE1-CZ 3.42Å; F124-F128 AromaticContact CE2-CE1 3.42Å; F124-F128 HydrophobicContact CE2-CE1 3.42Å; F124-F128 VanDerWaalsContact CE2-CE1 3.42Å; F124-F128 AromaticContact CE2-CZ 3.91Å; F124-F128 HydrophobicContact CE2-CZ 3.91Å; F124-F128 HydrophobicContact CG-CE1 4.01Å; F124-F128 HydrophobicContact CG-CZ 4.38Å; F124-F128 AromaticContact CZ-CE1 3.45Å; F124-F128 HydrophobicContact CZ-CE1 3.45Å; F124-F128 VanDerWaalsContact CZ-CE1 3.45Å; F124-F128 AromaticContact CZ-CZ 3.41Å; F124-F128 HydrophobicContact CZ-CZ 3.41Å; F124-F128 VanDerWaalsContact CZ-CZ 3.41Å; F124-F128 WeakPolarHBondContact O-CD1 3.42Å; F124-F128 WeakPolarHBondContact O-CE1 3.45Å; F124-M141 HydrophobicContact CE1-SD 4.26Å; F124-F144 HydrophobicContact CB-CD2 3.73Å; F124-F144 HydrophobicContact CB-CE2 3.82Å; F124-F144 HydrophobicContact CD1-CB 3.92Å; F124-F144 AromaticContact CD1-CD2 3.51Å; F124-F144 HydrophobicContact CD1-CD2 3.51Å; F124-F144 HydrophobicContact CD1-CE2 4.28Å; F124-F144 AromaticContact CD1-CG 3.82Å; F124-F144 HydrophobicContact CD1-CG 3.82Å; F124-F144 HydrophobicContact CD2-CD2 4.02Å; F124-F144 HydrophobicContact CE1-CB 3.56Å; F124-F144 HydrophobicContact CE1-CD2 4.08Å; F124-F144 HydrophobicContact CE1-CG 4Å; F124-F144 HydrophobicContact CE2-CB 4.39Å; F124-F144 HydrophobicContact CG-CB 4.45Å; F124-F144 AromaticContact CG-CD2 3.47Å; F124-F144 HydrophobicContact CG-CD2 3.47Å; F124-F144 VanDerWaalsContact CG-CD2 3.47Å; F124-F144 HydrophobicContact CG-CE2 4.1Å; F124-F144 HydrophobicContact CG-CG 4.23Å; F124-F144 HydrophobicContact CZ-CB 3.83Å
125L91Very high88.1Confident3 Ų337.1 Ų37.12%0.01619%0.186CC..Hα-helixtrans-74.1-10.5-179.3-62.2175.7000113.4L121 F128 L130 F220 T231L121-L125 VanDerWaalsContact O-CB 3.29Å; L121-L125 WeakPolarHBondContact O-CB 3.29Å; L121-L125 VanDerWaalsContact O-CG 3.25Å; L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 3.04Å; L125-F128 VanDerWaalsContact O-O 3.06Å; L125-L130 HydrophobicContact CD2-CD1 3.71Å; L125-L130 HydrophobicContact CD2-CG 3.92Å; L125-F220 HydrophobicContact CD1-CD1 4.26Å; L125-F220 HydrophobicContact CD1-CD2 4.48Å; L125-F220 HydrophobicContact CD1-CE1 4.33Å; L125-F220 HydrophobicContact CD1-CG 4.37Å; L125-F220 HydrophobicContact CD1-CZ 4.45Å; L125-T231 HydrophobicContact CD1-CG2 4.48Å
126W91.3Very high87.6Confident141 Ų14136.2 Ų36.253%0.53418%0.18SC..Hα-helixtrans-79.1-25.9169.5-173.8-102.4000112.5R122 Q123 F124 K221 P223R122-W126 VanDerWaalsContact O-CB 3.28Å; R122-W126 WeakPolarHBondContact O-CB 3.37Å; R122-W126 PolarHBondContact O-N 3.18Å; R122-W126 VanDerWaalsContact O-N 3.09Å; Q123-W126 PolarHBondContact O-N 3.29Å; F124-W126 PolarHBondContact O-N 3.43Å; W126-K221 HydrophobicContact CE3-CB 4.21Å; W126-K221 HydrophobicContact CZ3-CB 3.93Å; W126-P223 WeakPolarHBondContact O-CG 3.47Å
127S92.9Very high87Confident11 Ų1134 Ų348%0.07717%0.171CC..Hα-helixtrans-77.6-22.2-172.8-61.90000113.5K85 H110 Q123 F124K85-S127 WeakPolarHBondContact CD-O 3.08Å; K85-S127 WeakPolarHBondContact CE-O 3.49Å; K85-S127 PolarHBondContact NZ-O 3.23Å; H110-S127 PolarHBondContact NE2-OG 3.32Å; Q123-S127 PolarHBondContact O-N 2.97Å; Q123-S127 PolarHBondContact O-OG 3.34Å; F124-S127 WeakPolarHBondContact O-CB 3.36Å; F124-S127 PolarHBondContact O-N 2.92Å; F124-S127 VanDerWaalsContact O-N 3.13Å
128F91.9Very high86.2Confident0 Ų036 Ų360%018%0.181CC..SBendtrans-160.6170.4-178.565.4-83.3000110.9I88 F106 F124 L125 L130 M140I88-F128 HydrophobicContact CB-CB 4.08Å; I88-F128 HydrophobicContact CG2-CB 3.7Å; F106-F128 AromaticContact CE1-CD1 3.84Å; F106-F128 HydrophobicContact CE1-CD1 3.84Å; F106-F128 HydrophobicContact CE1-CE1 4.33Å; F106-F128 HydrophobicContact CZ-CD1 4.27Å; F124-F128 HydrophobicContact CD1-CE1 4.02Å; F124-F128 AromaticContact CD1-CZ 3.91Å; F124-F128 HydrophobicContact CD1-CZ 3.91Å; F124-F128 AromaticContact CD2-CE1 3.73Å; F124-F128 HydrophobicContact CD2-CE1 3.73Å; F124-F128 HydrophobicContact CD2-CZ 4.39Å; F124-F128 AromaticContact CE1-CE1 3.77Å; F124-F128 HydrophobicContact CE1-CE1 3.77Å; F124-F128 AromaticContact CE1-CZ 3.42Å; F124-F128 HydrophobicContact CE1-CZ 3.42Å; F124-F128 VanDerWaalsContact CE1-CZ 3.42Å; F124-F128 AromaticContact CE2-CE1 3.42Å; F124-F128 HydrophobicContact CE2-CE1 3.42Å; F124-F128 VanDerWaalsContact CE2-CE1 3.42Å; F124-F128 AromaticContact CE2-CZ 3.91Å; F124-F128 HydrophobicContact CE2-CZ 3.91Å; F124-F128 HydrophobicContact CG-CE1 4.01Å; F124-F128 HydrophobicContact CG-CZ 4.38Å; F124-F128 AromaticContact CZ-CE1 3.45Å; F124-F128 HydrophobicContact CZ-CE1 3.45Å; F124-F128 VanDerWaalsContact CZ-CE1 3.45Å; F124-F128 AromaticContact CZ-CZ 3.41Å; F124-F128 HydrophobicContact CZ-CZ 3.41Å; F124-F128 VanDerWaalsContact CZ-CZ 3.41Å; F124-F128 WeakPolarHBondContact O-CD1 3.42Å; F124-F128 WeakPolarHBondContact O-CE1 3.45Å; L125-F128 VanDerWaalsContact O-O 3.06Å; F128-L130 HydrophobicContact CE2-CD2 3.8Å; F128-L130 HydrophobicContact CE2-CG 4.06Å; F128-L130 HydrophobicContact CZ-CD2 4.31Å; F128-M140 HydrophobicContact CD1-CE 4.18Å; F128-M140 HydrophobicContact CD2-CE 3.36Å; F128-M140 HydrophobicContact CD2-SD 4.17Å; F128-M140 HydrophobicContact CE1-CE 3.96Å; F128-M140 HydrophobicContact CE2-CE 3.1Å; F128-M140 HydrophobicContact CE2-SD 3.7Å; F128-M140 HydrophobicContact CG-CE 3.93Å; F128-M140 HydrophobicContact CZ-CE 3.45Å; F128-M140 VanDerWaalsContact CZ-CE 3.45Å; F128-M140 HydrophobicContact CZ-SD 4.35Å
129R85.3Confident86.1Confident16 Ų1638.6 Ų38.66%0.0619%0.191CC..PPolyproline II helixtrans-97.5130.7169.6-74-83.6-178.8-177.4-3.3109.4K85 G89 I222 P223 D229K85-R129 HydrophobicContact CB-CG 4Å; K85-R129 PolarHBondContact O-N 3.43Å; G89-R129 WeakPolarHBondContact CA-O 3.2Å; R129-I222 VanDerWaalsContact CZ-CB 3.48Å; R129-I222 VanDerWaalsContact NE-CG2 3.29Å; R129-I222 VanDerWaalsContact NH1-CB 3.3Å; R129-I222 PolarHBondContact NH2-O 3.37Å; R129-I222 VanDerWaalsContact NH2-O 3.11Å; R129-P223 PolarHBondContact NE-O 2.83Å; R129-P223 VanDerWaalsContact NH2-C 3.3Å; R129-P223 PolarHBondContact NH2-O 3.03Å; R129-D229 IonicContact CZ-OD2 3.52Å; R129-D229 IonicContact NH1-OD1 3.76Å; R129-D229 PolarHBondContact NH1-OD1 3.43Å; R129-D229 VanDerWaalsContact NH1-OD1 3.09Å; R129-D229 IonicContact NH1-OD2 2.77Å; R129-D229 PolarHBondContact NH1-OD2 3.13Å; R129-D229 IonicContact NH2-OD2 3.51Å
130L81.5Confident86Confident23 Ų2335.4 Ų35.412%0.1217%0.174CC..PPolyproline II helixtrans-56.6141.3174.3-78.6166.3000110L125 F128 I137 M140 M141 L230L125-L130 HydrophobicContact CD2-CD1 3.71Å; L125-L130 HydrophobicContact CD2-CG 3.92Å; F128-L130 HydrophobicContact CE2-CD2 3.8Å; F128-L130 HydrophobicContact CE2-CG 4.06Å; F128-L130 HydrophobicContact CZ-CD2 4.31Å; L130-I137 HydrophobicContact CD2-CG2 4.31Å; L130-M140 HydrophobicContact CD2-CB 4.44Å; L130-M140 HydrophobicContact CD2-SD 4.41Å; L130-M141 HydrophobicContact CD2-SD 4.48Å; L130-L230 VanDerWaalsContact C-CD1 3.46Å; L130-L230 HydrophobicContact CB-CD1 3.47Å; L130-L230 VanDerWaalsContact CB-CD1 3.47Å; L130-L230 WeakPolarHBondContact O-CD1 3.21Å
131P77.7Confident85.8Confident7 Ų735.4 Ų35.45%0.04517%0.174CC..PPolyproline II helixtrans-73.2160.7173.427-31000111.1K136 I137 M140 L230P131-K136 HydrophobicContact CB-CB 3.87Å; P131-K136 HydrophobicContact CB-CD 3.83Å; P131-K136 HydrophobicContact CB-CG 4.49Å; P131-K136 HydrophobicContact CG-CB 3.3Å; P131-K136 HydrophobicContact CG-CD 4.13Å; P131-K136 HydrophobicContact CG-CG 4.36Å; P131-I137 HydrophobicContact CG-CG1 4.32Å; P131-I137 WeakPolarHBondContact O-CD1 3.47Å; P131-I137 WeakPolarHBondContact O-CG1 3.32Å; P131-M140 VanDerWaalsContact CD-SD 3.51Å; P131-M140 HydrophobicContact CG-SD 3.97Å; P131-L230 VanDerWaalsContact O-CD1 3.3Å; P131-L230 WeakPolarHBondContact O-CD1 3.07Å
132G64.3Low85.7Confident34 Ų3438 Ų3835%0.35119%0.187SC..SBendtrans-80.2-20.2-178.800000114.3N236G132-N236 PolarHBondContact O-ND2 3.41Å
133E72Confident85.9Confident91 Ų9137.4 Ų37.443%0.42519%0.188SC..SBendtrans-83.6124-177.3-51.996.4123.900111.7Q135 K136 I137E133-Q135 PolarHBondContact O-N 3.02Å; E133-Q135 VanDerWaalsContact O-N 3.08Å; E133-K136 HydrophobicContact CB-CD 4.39Å; E133-K136 HydrophobicContact CB-CG 4.14Å; E133-K136 WeakPolarHBondContact O-CB 3.34Å; E133-K136 PolarHBondContact O-N 3.32Å; E133-K136 VanDerWaalsContact OE1-CE 3.32Å; E133-K136 WeakPolarHBondContact OE1-CE 3.43Å; E133-K136 IonicContact OE1-NZ 3.55Å; E133-K136 PolarHBondContact OE1-NZ 3.43Å; E133-K136 IonicContact OE2-NZ 3.43Å; E133-I137 PolarHBondContact O-N 2.83Å; E133-I137 VanDerWaalsContact O-N 3.13Å
134A69.2Low86Confident36 Ų3633.7 Ų33.730%0.29817%0.171SC..Hα-helixtrans-52.2-38.4-176.400000114.1K136 I137 D138 F356A134-K136 VanDerWaalsContact C-N 3.3Å; A134-K136 PolarHBondContact O-N 2.93Å; A134-I137 PolarHBondContact O-N 3.4Å; A134-D138 WeakPolarHBondContact O-CB 3.31Å; A134-D138 PolarHBondContact O-N 3.04Å; A134-F356 HydrophobicContact CB-CB 4.37Å
135Q75.8Confident86Confident140 Ų14033.7 Ų33.765%0.65417%0.171SC*.Hα-helixtrans-66.8-30.4178.6-63.8179.59.300113.3E133 R139E133-Q135 PolarHBondContact O-N 3.02Å; E133-Q135 VanDerWaalsContact O-N 3.08Å; Q135-R139 VanDerWaalsContact O-CZ 3.31Å; Q135-R139 PolarHBondContact O-N 3.25Å; Q135-R139 PolarHBondContact O-NH1 3.17Å
136K85.4Confident86.3Confident18 Ų1835.9 Ų35.98%0.07818%0.184CC..Hα-helixtrans-77.3-44.6177-63.1-169.7172.2166.90109.9G93 E94 P131 E133 A134 D138 R139 M140G93-K136 WeakPolarHBondContact O-CG 3.41Å; E94-K136 WeakPolarHBondContact OE1-CE 3.35Å; E94-K136 IonicContact OE1-NZ 3Å; E94-K136 PolarHBondContact OE1-NZ 3.13Å; P131-K136 HydrophobicContact CB-CB 3.87Å; P131-K136 HydrophobicContact CB-CD 3.83Å; P131-K136 HydrophobicContact CB-CG 4.49Å; P131-K136 HydrophobicContact CG-CB 3.3Å; P131-K136 HydrophobicContact CG-CD 4.13Å; P131-K136 HydrophobicContact CG-CG 4.36Å; E133-K136 HydrophobicContact CB-CD 4.39Å; E133-K136 HydrophobicContact CB-CG 4.14Å; E133-K136 WeakPolarHBondContact O-CB 3.34Å; E133-K136 PolarHBondContact O-N 3.32Å; E133-K136 VanDerWaalsContact OE1-CE 3.32Å; E133-K136 WeakPolarHBondContact OE1-CE 3.43Å; E133-K136 IonicContact OE1-NZ 3.55Å; E133-K136 PolarHBondContact OE1-NZ 3.43Å; E133-K136 IonicContact OE2-NZ 3.43Å; A134-K136 VanDerWaalsContact C-N 3.3Å; A134-K136 PolarHBondContact O-N 2.93Å; K136-D138 VanDerWaalsContact C-N 3.3Å; K136-D138 PolarHBondContact O-N 3.03Å; K136-R139 PolarHBondContact O-N 3.17Å; K136-M140 WeakPolarHBondContact O-CG 2.92Å; K136-M140 PolarHBondContact O-N 3.02Å; K136-M140 VanDerWaalsContact O-N 3.15Å
137I81.3Confident86.6Confident16 Ų1631.9 Ų31.98%0.08217%0.169CC..Hα-helixtrans-55.7-47.4174.4-60.5173.6000110.5L130 P131 E133 A134 R139 M140 M141 F167 F356L130-I137 HydrophobicContact CD2-CG2 4.31Å; P131-I137 HydrophobicContact CG-CG1 4.32Å; P131-I137 WeakPolarHBondContact O-CD1 3.47Å; P131-I137 WeakPolarHBondContact O-CG1 3.32Å; E133-I137 PolarHBondContact O-N 2.83Å; E133-I137 VanDerWaalsContact O-N 3.13Å; A134-I137 PolarHBondContact O-N 3.4Å; I137-R139 PolarHBondContact O-N 3.23Å; I137-M140 PolarHBondContact O-N 3.46Å; I137-M141 HydrophobicContact CG2-CG 4.03Å; I137-M141 WeakPolarHBondContact O-CB 3.31Å; I137-M141 WeakPolarHBondContact O-CG 3.36Å; I137-M141 PolarHBondContact O-N 3.4Å; I137-F167 HydrophobicContact CG2-CE1 4.06Å; I137-F167 HydrophobicContact CG2-CZ 4.04Å; I137-F356 HydrophobicContact CB-CE2 4.5Å; I137-F356 HydrophobicContact CG2-CE2 3.75Å
138D81.9Confident86.9Confident43 Ų4331.5 Ų31.523%0.2317%0.166CC..Hα-helixtrans-52.9-51.6178.1176.758.8000112.2A134 K136 M140 M141 E142 Y163 L359A134-D138 WeakPolarHBondContact O-CB 3.31Å; A134-D138 PolarHBondContact O-N 3.04Å; K136-D138 VanDerWaalsContact C-N 3.3Å; K136-D138 PolarHBondContact O-N 3.03Å; D138-M140 VanDerWaalsContact C-N 3.34Å; D138-M140 PolarHBondContact O-N 2.86Å; D138-M141 PolarHBondContact O-N 3.3Å; D138-E142 VanDerWaalsContact O-CB 3.3Å; D138-E142 WeakPolarHBondContact O-CB 3.23Å; D138-E142 PolarHBondContact O-N 2.98Å; D138-Y163 PolarHBondContact OD1-OH 3.17Å; D138-L359 HydrophobicContact CB-CD2 3.82Å; D138-L359 WeakPolarHBondContact OD1-CD2 3.38Å
139R93.2Very high87.1Confident54 Ų5432.4 Ų32.420%0.20417%0.172CC..Hα-helixtrans-57.5-45.1177.7-76.3-171.2-75.6-82.24.7112.7G93 L103 Q135 K136 I137 A143G93-R139 PolarHBondContact O-NE 2.99Å; G93-R139 PolarHBondContact O-NH2 3.48Å; L103-R139 HydrophobicContact CD2-CB 4.37Å; Q135-R139 VanDerWaalsContact O-CZ 3.31Å; Q135-R139 PolarHBondContact O-N 3.25Å; Q135-R139 PolarHBondContact O-NH1 3.17Å; K136-R139 PolarHBondContact O-N 3.17Å; I137-R139 PolarHBondContact O-N 3.23Å; R139-A143 WeakPolarHBondContact O-CB 3.43Å; R139-A143 PolarHBondContact O-N 2.87Å
140M93.8Very high87.5Confident0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-67.7-42.5-177.6-63-170.585.700111.7L92 L103 F128 L130 P131 K136 I137 D138 A143 F144L92-M140 HydrophobicContact CB-CE 3.7Å; L92-M140 HydrophobicContact CD1-CE 4.03Å; L103-M140 HydrophobicContact CD1-CE 4.33Å; L103-M140 HydrophobicContact CD1-CG 4.37Å; L103-M140 HydrophobicContact CD2-CG 4.39Å; F128-M140 HydrophobicContact CD1-CE 4.18Å; F128-M140 HydrophobicContact CD2-CE 3.36Å; F128-M140 HydrophobicContact CD2-SD 4.17Å; F128-M140 HydrophobicContact CE1-CE 3.96Å; F128-M140 HydrophobicContact CE2-CE 3.1Å; F128-M140 HydrophobicContact CE2-SD 3.7Å; F128-M140 HydrophobicContact CG-CE 3.93Å; F128-M140 HydrophobicContact CZ-CE 3.45Å; F128-M140 VanDerWaalsContact CZ-CE 3.45Å; F128-M140 HydrophobicContact CZ-SD 4.35Å; L130-M140 HydrophobicContact CD2-CB 4.44Å; L130-M140 HydrophobicContact CD2-SD 4.41Å; P131-M140 VanDerWaalsContact CD-SD 3.51Å; P131-M140 HydrophobicContact CG-SD 3.97Å; K136-M140 WeakPolarHBondContact O-CG 2.92Å; K136-M140 PolarHBondContact O-N 3.02Å; K136-M140 VanDerWaalsContact O-N 3.15Å; I137-M140 PolarHBondContact O-N 3.46Å; D138-M140 VanDerWaalsContact C-N 3.34Å; D138-M140 PolarHBondContact O-N 2.86Å; M140-A143 PolarHBondContact O-N 2.7Å; M140-F144 WeakPolarHBondContact O-CB 3.18Å; M140-F144 PolarHBondContact O-N 3.47Å
141M92.3Very high88.2Confident0 Ų037.8 Ų37.80%020%0.201CC..Hα-helixtrans-72.7-31.7179.4-66.5-58-5800112.3L121 F124 L130 I137 D138 F144 A145 Y163 F167 I170L121-M141 HydrophobicContact CD2-CE 3.95Å; F124-M141 HydrophobicContact CE1-SD 4.26Å; L130-M141 HydrophobicContact CD2-SD 4.48Å; I137-M141 HydrophobicContact CG2-CG 4.03Å; I137-M141 WeakPolarHBondContact O-CB 3.31Å; I137-M141 WeakPolarHBondContact O-CG 3.36Å; I137-M141 PolarHBondContact O-N 3.4Å; D138-M141 PolarHBondContact O-N 3.3Å; M141-F144 HydrophobicContact CE-CD1 4.22Å; M141-F144 PolarHBondContact O-N 2.81Å; M141-A145 VanDerWaalsContact O-CB 3.31Å; M141-A145 WeakPolarHBondContact O-CB 3.37Å; M141-A145 PolarHBondContact O-N 3.47Å; M141-Y163 HydrophobicContact CB-CD2 4.07Å; M141-Y163 HydrophobicContact CB-CE2 3.85Å; M141-F167 HydrophobicContact CB-CE1 4.38Å; M141-F167 HydrophobicContact CB-CE2 4.24Å; M141-F167 HydrophobicContact CB-CZ 3.72Å; M141-F167 HydrophobicContact CE-CE1 4.35Å; M141-F167 HydrophobicContact CG-CE1 3.73Å; M141-F167 HydrophobicContact CG-CE2 4.45Å; M141-F167 HydrophobicContact CG-CZ 3.52Å; M141-I170 HydrophobicContact CE-CD1 4.02Å; M141-I170 HydrophobicContact SD-CD1 4.48Å
142E94.4Very high88.9Confident55 Ų5537.8 Ų37.826%0.25720%0.201SC..Hα-helixtrans-64.4-46.3171.4-17266.2-170.100111.7D138 F144 A145 T146 Y163 R363D138-E142 VanDerWaalsContact O-CB 3.3Å; D138-E142 WeakPolarHBondContact O-CB 3.23Å; D138-E142 PolarHBondContact O-N 2.98Å; E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 3.26Å; E142-A145 PolarHBondContact O-N 2.93Å; E142-T146 WeakPolarHBondContact O-CB 3.45Å; E142-T146 PolarHBondContact O-N 3.26Å; E142-T146 PolarHBondContact O-OG1 2.84Å; E142-Y163 HydrophobicContact CB-CE2 4.43Å; E142-Y163 WeakPolarHBondContact OE2-CD2 3.36Å; E142-R363 IonicContact OE1-CZ 3.79Å; E142-R363 IonicContact OE1-NH2 3.42Å; E142-R363 PolarHBondContact OE1-NH2 3.48Å; E142-R363 IonicContact OE2-CZ 2.83Å; E142-R363 IonicContact OE2-NH1 3.85Å; E142-R363 PolarHBondContact OE2-NH1 3.28Å; E142-R363 IonicContact OE2-NH2 3.09Å; E142-R363 PolarHBondContact OE2-NH2 3.13Å
143A97.4Very high90.1Very high19 Ų1940.3 Ų40.316%0.15722%0.218CC..Hα-helixtrans-61.7-42.4176.800000111.3L103 V107 R139 M140 R147L103-A143 HydrophobicContact CD1-CB 4.25Å; L103-A143 HydrophobicContact CD2-CB 3.93Å; L103-A143 HydrophobicContact CG-CB 3.88Å; V107-A143 HydrophobicContact CG1-CB 4.01Å; V107-A143 HydrophobicContact CG2-CB 4.34Å; R139-A143 WeakPolarHBondContact O-CB 3.43Å; R139-A143 PolarHBondContact O-N 2.87Å; M140-A143 PolarHBondContact O-N 2.7Å; A143-R147 WeakPolarHBondContact O-CB 3.24Å; A143-R147 PolarHBondContact O-N 2.95Å
144F97.6Very high90.8Very high0 Ų043.6 Ų43.60%023%0.233CC..Hα-helixtrans-60.5-51.7173.8170.2-95.4000112.4F112 L117 A120 L121 F124 M140 M141 E142 T146 R147 Y148 S166F112-F144 HydrophobicContact CD2-CE2 4.39Å; F112-F144 HydrophobicContact CE1-CE2 4.13Å; F112-F144 AromaticContact CE2-CD2 3.67Å; F112-F144 HydrophobicContact CE2-CD2 3.67Å; F112-F144 AromaticContact CE2-CE2 3.74Å; F112-F144 HydrophobicContact CE2-CE2 3.74Å; F112-F144 AromaticContact CZ-CD2 3.67Å; F112-F144 HydrophobicContact CZ-CD2 3.67Å; F112-F144 AromaticContact CZ-CE2 3.59Å; F112-F144 HydrophobicContact CZ-CE2 3.59Å; L117-F144 HydrophobicContact CD1-CE1 3.72Å; L117-F144 HydrophobicContact CD1-CZ 3.91Å; A120-F144 HydrophobicContact CB-CE2 4Å; A120-F144 HydrophobicContact CB-CZ 3.92Å; L121-F144 HydrophobicContact CB-CZ 4.45Å; L121-F144 HydrophobicContact CD2-CD1 4.08Å; L121-F144 HydrophobicContact CD2-CE1 3.54Å; L121-F144 HydrophobicContact CD2-CE2 4.28Å; L121-F144 HydrophobicContact CD2-CZ 3.65Å; L121-F144 HydrophobicContact CG-CE1 3.88Å; L121-F144 HydrophobicContact CG-CE2 4.5Å; L121-F144 HydrophobicContact CG-CZ 3.67Å; F124-F144 HydrophobicContact CB-CD2 3.73Å; F124-F144 HydrophobicContact CB-CE2 3.82Å; F124-F144 HydrophobicContact CD1-CB 3.92Å; F124-F144 AromaticContact CD1-CD2 3.51Å; F124-F144 HydrophobicContact CD1-CD2 3.51Å; F124-F144 HydrophobicContact CD1-CE2 4.28Å; F124-F144 AromaticContact CD1-CG 3.82Å; F124-F144 HydrophobicContact CD1-CG 3.82Å; F124-F144 HydrophobicContact CD2-CD2 4.02Å; F124-F144 HydrophobicContact CE1-CB 3.56Å; F124-F144 HydrophobicContact CE1-CD2 4.08Å; F124-F144 HydrophobicContact CE1-CG 4Å; F124-F144 HydrophobicContact CE2-CB 4.39Å; F124-F144 HydrophobicContact CG-CB 4.45Å; F124-F144 AromaticContact CG-CD2 3.47Å; F124-F144 HydrophobicContact CG-CD2 3.47Å; F124-F144 VanDerWaalsContact CG-CD2 3.47Å; F124-F144 HydrophobicContact CG-CE2 4.1Å; F124-F144 HydrophobicContact CG-CG 4.23Å; F124-F144 HydrophobicContact CZ-CB 3.83Å; M140-F144 WeakPolarHBondContact O-CB 3.18Å; M140-F144 PolarHBondContact O-N 3.47Å; M141-F144 HydrophobicContact CE-CD1 4.22Å; M141-F144 PolarHBondContact O-N 2.81Å; E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 3.26Å; F144-T146 VanDerWaalsContact C-N 3.31Å; F144-T146 PolarHBondContact O-N 2.66Å; F144-R147 PolarHBondContact O-N 3.39Å; F144-Y148 HydrophobicContact CZ-CD2 4.42Å; F144-Y148 WeakPolarHBondContact O-CB 3.29Å; F144-Y148 PolarHBondContact O-N 2.92Å; F144-S166 WeakPolarHBondContact CE1-OG 3.49Å
145A96.6Very high91.8Very high0 Ų043.5 Ų43.50%023%0.229CC..Hα-helixtrans-61.7-41.5-177.500000111.4M141 E142 Y148 C149 T159 C162M141-A145 VanDerWaalsContact O-CB 3.31Å; M141-A145 WeakPolarHBondContact O-CB 3.37Å; M141-A145 PolarHBondContact O-N 3.47Å; E142-A145 PolarHBondContact O-N 2.93Å; A145-Y148 PolarHBondContact O-N 3.09Å; A145-C149 WeakPolarHBondContact O-CB 3.34Å; A145-C149 PolarHBondContact O-N 3.47Å; A145-C149 PolarHBondContact O-SG 2.83Å; A145-T159 HydrophobicContact CB-CG2 3.73Å; A145-C162 HydrophobicContact CB-CB 4.11Å
146T96.8Very high92.7Very high49 Ų4937.6 Ų37.630%0.30120%0.201SC..Hα-helixtrans-58.8-52175.4-58.10000110.3E142 F144 Y148 C149 E150E142-T146 WeakPolarHBondContact O-CB 3.45Å; E142-T146 PolarHBondContact O-N 3.26Å; E142-T146 PolarHBondContact O-OG1 2.84Å; F144-T146 VanDerWaalsContact C-N 3.31Å; F144-T146 PolarHBondContact O-N 2.66Å; T146-Y148 PolarHBondContact O-N 3.39Å; T146-C149 PolarHBondContact O-N 3.39Å; T146-E150 WeakPolarHBondContact O-CG 3.4Å; T146-E150 PolarHBondContact O-N 3.09Å
147R97.6Very high92.8Very high57 Ų5741.5 Ų41.522%0.21522%0.22CC..Hα-helixtrans-62.6-41.3-179.7-179.957.6178.5172.5-1.4112.6V107 E108 F112 A143 F144 E150 C151V107-R147 HydrophobicContact CB-CB 4.19Å; V107-R147 HydrophobicContact CB-CG 4.27Å; V107-R147 HydrophobicContact CG2-CB 4.1Å; V107-R147 HydrophobicContact CG2-CG 4.41Å; E108-R147 PolarHBondContact O-NH2 3.05Å; E108-R147 VanDerWaalsContact O-NH2 3.13Å; F112-R147 HydrophobicContact CD2-CB 4.33Å; F112-R147 HydrophobicContact CD2-CG 3.7Å; F112-R147 HydrophobicContact CE2-CB 4.25Å; F112-R147 HydrophobicContact CE2-CG 3.8Å; A143-R147 WeakPolarHBondContact O-CB 3.24Å; A143-R147 PolarHBondContact O-N 2.95Å; F144-R147 PolarHBondContact O-N 3.39Å; R147-E150 IonicContact NH1-OE2 2.65Å; R147-E150 PolarHBondContact O-N 2.93Å; R147-C151 PolarHBondContact O-N 3.32Å; R147-C151 PolarHBondContact O-SG 3.28Å; R147-C151 VanDerWaalsContact O-SG 3.42Å
148Y97.9Very high93.3Very high3 Ų342 Ų421%0.01223%0.225CC..Hα-helixtrans-61.9-44.8177.7-178.2-85.4000111.4F112 L115 L117 A120 F144 A145 T146 C151 N152 V155 F156F112-Y148 HydrophobicContact CB-CD2 4.28Å; L115-Y148 VanDerWaalsContact O-CE2 3.3Å; L115-Y148 WeakPolarHBondContact O-CE2 3.2Å; L115-Y148 PolarHBondContact O-OH 3.15Å; L115-Y148 VanDerWaalsContact O-OH 3.12Å; L117-Y148 HydrophobicContact CB-CE2 4.29Å; L117-Y148 HydrophobicContact CD1-CD1 4.09Å; L117-Y148 HydrophobicContact CD1-CD2 3.95Å; L117-Y148 HydrophobicContact CD1-CE1 4.17Å; L117-Y148 HydrophobicContact CD1-CE2 3.98Å; L117-Y148 HydrophobicContact CD1-CG 3.99Å; L117-Y148 PolarHBondContact N-OH 3.27Å; A120-Y148 HydrophobicContact CB-CD2 3.53Å; A120-Y148 HydrophobicContact CB-CE2 3.69Å; F144-Y148 HydrophobicContact CZ-CD2 4.42Å; F144-Y148 WeakPolarHBondContact O-CB 3.29Å; F144-Y148 PolarHBondContact O-N 2.92Å; A145-Y148 PolarHBondContact O-N 3.09Å; T146-Y148 PolarHBondContact O-N 3.39Å; Y148-C151 PolarHBondContact O-N 2.87Å; Y148-N152 HydrophobicContact CD1-CB 4.39Å; Y148-N152 HydrophobicContact CE1-CB 3.95Å; Y148-N152 WeakPolarHBondContact O-CB 3.38Å; Y148-N152 PolarHBondContact O-N 3.35Å; Y148-N152 PolarHBondContact O-ND2 2.89Å; Y148-N152 VanDerWaalsContact O-ND2 3.12Å; Y148-V155 HydrophobicContact CE1-CG1 4.42Å; Y148-F156 HydrophobicContact CD1-CD2 4.07Å; Y148-F156 AromaticContact CD1-CE2 3.81Å; Y148-F156 HydrophobicContact CD1-CE2 3.81Å; Y148-F156 AromaticContact CE1-CD2 3.84Å; Y148-F156 HydrophobicContact CE1-CD2 3.84Å; Y148-F156 AromaticContact CE1-CE2 3.34Å; Y148-F156 HydrophobicContact CE1-CE2 3.34Å; Y148-F156 HydrophobicContact CE1-CZ 4.35Å
149C96.1Very high93.9Very high19 Ų1942 Ų4213%0.12823%0.226CC..Hα-helixtrans-65.7-37.3177-73.10000112.5A145 T146 C151 N152 A153A145-C149 WeakPolarHBondContact O-CB 3.34Å; A145-C149 PolarHBondContact O-N 3.47Å; A145-C149 PolarHBondContact O-SG 2.83Å; T146-C149 PolarHBondContact O-N 3.39Å; C149-C151 VanDerWaalsContact C-N 3.32Å; C149-C151 PolarHBondContact O-N 3.27Å; C149-N152 CarbonylContact O-C 3.57Å; C149-N152 PolarHBondContact O-N 3Å; C149-A153 WeakPolarHBondContact O-CA 3.3Å; C149-A153 PolarHBondContact O-N 3.01Å
150E95.5Very high93.7Very high116 Ų11641.3 Ų41.354%0.54223%0.227SC..Hα-helixtrans-60.7-40.8172.9-73.2174.117500112T146 R147T146-E150 WeakPolarHBondContact O-CG 3.4Å; T146-E150 PolarHBondContact O-N 3.09Å; R147-E150 IonicContact NH1-OE2 2.65Å; R147-E150 PolarHBondContact O-N 2.93Å
151C95.3Very high93.7Very high37 Ų3741.3 Ų41.325%0.2523%0.227CC..Hα-helixtrans-76.2-25.3177.3-67.10000113.5F112 R147 Y148 C149F112-C151 HydrophobicContact CB-CB 4.03Å; R147-C151 PolarHBondContact O-N 3.32Å; R147-C151 PolarHBondContact O-SG 3.28Å; R147-C151 VanDerWaalsContact O-SG 3.42Å; Y148-C151 PolarHBondContact O-N 2.87Å; C149-C151 VanDerWaalsContact C-N 3.32Å; C149-C151 PolarHBondContact O-N 3.27Å
152N93.4Very high93.8Very high7 Ų741.3 Ų41.34%0.03723%0.227CC..  trans-134.953.8-170.6-58.4-78.7000111.9F112 D114 Y148 C149 H154 V155F112-N152 PolarHBondContact O-ND2 3.46Å; D114-N152 PolarHBondContact N-OD1 3.34Å; Y148-N152 HydrophobicContact CD1-CB 4.39Å; Y148-N152 HydrophobicContact CE1-CB 3.95Å; Y148-N152 WeakPolarHBondContact O-CB 3.38Å; Y148-N152 PolarHBondContact O-N 3.35Å; Y148-N152 PolarHBondContact O-ND2 2.89Å; Y148-N152 VanDerWaalsContact O-ND2 3.12Å; C149-N152 CarbonylContact O-C 3.57Å; C149-N152 PolarHBondContact O-N 3Å; N152-H154 PolarHBondContact O-N 3.23Å; N152-V155 HydrophobicContact CB-CB 4.42Å; N152-V155 HydrophobicContact CB-CG2 3.84Å; N152-V155 PolarHBondContact O-N 3.48Å
153A88.8Confident93.6Very high86 Ų8638.7 Ų38.771%0.71121%0.214SC*.THydrogen-bonded Turntrans-57.8-15.1-169.100000116.2C149C149-A153 WeakPolarHBondContact O-CA 3.3Å; C149-A153 PolarHBondContact O-N 3.01Å
154H87.1Confident93.1Very high161 Ų16138 Ų3875%0.74521%0.208SC*.THydrogen-bonded Turntrans-98.2-3.7-177.560.1-85.2000113.9N152N152-H154 PolarHBondContact O-N 3.23Å
155V90.4Very high92.8Very high33 Ų3338 Ų3820%0.221%0.208CC..THydrogen-bonded Turntrans-87.8-38.2-172179.60000112.6Y148 N152 L207Y148-V155 HydrophobicContact CE1-CG1 4.42Å; N152-V155 HydrophobicContact CB-CB 4.42Å; N152-V155 HydrophobicContact CB-CG2 3.84Å; N152-V155 PolarHBondContact O-N 3.48Å; V155-L207 HydrophobicContact CG1-CD2 4.27Å
156F92.9Very high92.5Very high16 Ų1638 Ų387%0.0721%0.208CC..  trans-131.5144.4-176.2-58.3-55.9000110.9L117 Y148 S158 T161 C162 L165 L203 L207L117-F156 HydrophobicContact CB-CZ 4.4Å; L117-F156 HydrophobicContact CD1-CE2 4.39Å; L117-F156 HydrophobicContact CD2-CE2 4.06Å; L117-F156 HydrophobicContact CD2-CZ 3.79Å; Y148-F156 HydrophobicContact CD1-CD2 4.07Å; Y148-F156 AromaticContact CD1-CE2 3.81Å; Y148-F156 HydrophobicContact CD1-CE2 3.81Å; Y148-F156 AromaticContact CE1-CD2 3.84Å; Y148-F156 HydrophobicContact CE1-CD2 3.84Å; Y148-F156 AromaticContact CE1-CE2 3.34Å; Y148-F156 HydrophobicContact CE1-CE2 3.34Å; Y148-F156 HydrophobicContact CE1-CZ 4.35Å; F156-S158 VanDerWaalsContact C-N 3.29Å; F156-S158 PolarHBondContact O-N 3.38Å; F156-T161 HydrophobicContact CB-CG2 4.25Å; F156-T161 HydrophobicContact CD1-CG2 3.79Å; F156-T161 HydrophobicContact CG-CG2 4.27Å; F156-C162 HydrophobicContact CD2-CB 3.54Å; F156-C162 HydrophobicContact CE2-CB 3.89Å; F156-C162 HydrophobicContact CG-CB 4.24Å; F156-L165 HydrophobicContact CE1-CD2 3.55Å; F156-L165 HydrophobicContact CZ-CD2 3.68Å; F156-L203 HydrophobicContact CD1-CD1 4.44Å; F156-L203 HydrophobicContact CD1-CD2 3.93Å; F156-L203 HydrophobicContact CE1-CD1 4.07Å; F156-L203 HydrophobicContact CE1-CD2 4.18Å; F156-L207 HydrophobicContact CE1-CD2 4.2Å
157Q89.5Confident91.7Very high101 Ų10135.9 Ų35.947%0.47219%0.194SC..SBendtrans-73-22177.7-69.6-178.919.800113.3N198 E201Q157-N198 WeakPolarHBondContact CB-OD1 3.3Å; Q157-N198 WeakPolarHBondContact CG-OD1 3.33Å; Q157-N198 PolarHBondContact N-OD1 2.88Å; Q157-N198 PolarHBondContact NE2-ND2 3.05Å; Q157-E201 PolarHBondContact NE2-OE2 2.94Å
158S91.8Very high91Very high27 Ų2734 Ų3419%0.18919%0.191CC..  trans-150.4153.7-17862.40000112.2F156 D160 T161 C162 N199F156-S158 VanDerWaalsContact C-N 3.29Å; F156-S158 PolarHBondContact O-N 3.38Å; S158-D160 PolarHBondContact O-N 3.3Å; S158-T161 WeakPolarHBondContact O-CB 3.44Å; S158-T161 PolarHBondContact O-N 2.82Å; S158-T161 VanDerWaalsContact O-N 3.12Å; S158-T161 PolarHBondContact OG-N 3.03Å; S158-T161 PolarHBondContact OG-OG1 3.34Å; S158-C162 PolarHBondContact O-N 3.17Å; S158-N199 PolarHBondContact OG-OD1 3.42Å
159T93.6Very high90.5Very high42 Ų4233.9 Ų33.926%0.25819%0.191SC..Hα-helixtrans-56.2-37.4169.3-55.10000111.5A145 T161 C162 Y163A145-T159 HydrophobicContact CB-CG2 3.73Å; T159-T161 VanDerWaalsContact C-N 3.31Å; T159-T161 PolarHBondContact O-N 3.47Å; T159-C162 WeakPolarHBondContact O-CB 3.4Å; T159-C162 PolarHBondContact O-N 3.12Å; T159-Y163 WeakPolarHBondContact O-CB 3.28Å; T159-Y163 PolarHBondContact O-N 3.48Å
160D89.5Confident89.8Confident40 Ų4033.2 Ų33.221%0.21419%0.186CC..Hα-helixtrans-58.9-41.1176.1-75.22.9000112S158 Y163 I164 R363 V367S158-D160 PolarHBondContact O-N 3.3Å; D160-Y163 PolarHBondContact O-N 3.48Å; D160-I164 WeakPolarHBondContact O-CB 3.34Å; D160-I164 WeakPolarHBondContact O-CD1 3.36Å; D160-I164 WeakPolarHBondContact O-CG1 3.39Å; D160-I164 PolarHBondContact O-N 3.39Å; D160-R363 VanDerWaalsContact CG-NE 3.33Å; D160-R363 IonicContact OD1-CZ 2.77Å; D160-R363 IonicContact OD1-NE 3.42Å; D160-R363 PolarHBondContact OD1-NE 3.15Å; D160-R363 IonicContact OD1-NH2 3.36Å; D160-R363 PolarHBondContact OD1-NH2 3.22Å; D160-R363 IonicContact OD2-NE 3.43Å; D160-V367 HydrophobicContact CB-CG2 3.61Å
161T92.8Very high88.8Confident0 Ų031.7 Ų31.70%018%0.18CC..Hα-helixtrans-60.2-48.2175.6-57.20000110.8F156 S158 T159 L165 I197 N198 L203F156-T161 HydrophobicContact CB-CG2 4.25Å; F156-T161 HydrophobicContact CD1-CG2 3.79Å; F156-T161 HydrophobicContact CG-CG2 4.27Å; S158-T161 WeakPolarHBondContact O-CB 3.44Å; S158-T161 PolarHBondContact O-N 2.82Å; S158-T161 VanDerWaalsContact O-N 3.12Å; S158-T161 PolarHBondContact OG-N 3.03Å; S158-T161 PolarHBondContact OG-OG1 3.34Å; T159-T161 VanDerWaalsContact C-N 3.31Å; T159-T161 PolarHBondContact O-N 3.47Å; T161-L165 VanDerWaalsContact O-CB 3.24Å; T161-L165 WeakPolarHBondContact O-CB 3.4Å; T161-L165 PolarHBondContact O-N 3.31Å; T161-I197 HydrophobicContact CG2-CG2 4.39Å; T161-I197 PolarHBondContact OG1-O 3.4Å; T161-N198 HydrophobicContact CG2-CB 4.17Å; T161-L203 HydrophobicContact CG2-CD1 4.37Å; T161-L203 HydrophobicContact CG2-CD2 4.34Å
162C94.9Very high88.3Confident0 Ų030.1 Ų30.10%017%0.169CC..Hα-helixtrans-59.8-48.5177.5-174.60000111.2A145 F156 S158 T159 L165 S166A145-C162 HydrophobicContact CB-CB 4.11Å; F156-C162 HydrophobicContact CD2-CB 3.54Å; F156-C162 HydrophobicContact CE2-CB 3.89Å; F156-C162 HydrophobicContact CG-CB 4.24Å; S158-C162 PolarHBondContact O-N 3.17Å; T159-C162 WeakPolarHBondContact O-CB 3.4Å; T159-C162 PolarHBondContact O-N 3.12Å; C162-L165 PolarHBondContact O-N 3.32Å; C162-S166 WeakPolarHBondContact O-CB 3.39Å; C162-S166 PolarHBondContact O-N 3.42Å; C162-S166 PolarHBondContact O-OG 2.9Å
163Y91.2Very high87.8Confident0 Ų029.8 Ų29.80%017%0.167CC..Hα-helixtrans-58.8-50.6-179.6175.9-83.4000112.3D138 M141 E142 T159 D160 L165 S166 F167D138-Y163 PolarHBondContact OD1-OH 3.17Å; M141-Y163 HydrophobicContact CB-CD2 4.07Å; M141-Y163 HydrophobicContact CB-CE2 3.85Å; E142-Y163 HydrophobicContact CB-CE2 4.43Å; E142-Y163 WeakPolarHBondContact OE2-CD2 3.36Å; T159-Y163 WeakPolarHBondContact O-CB 3.28Å; T159-Y163 PolarHBondContact O-N 3.48Å; D160-Y163 PolarHBondContact O-N 3.48Å; Y163-L165 PolarHBondContact O-N 3.39Å; Y163-S166 WeakPolarHBondContact O-CB 3.42Å; Y163-S166 PolarHBondContact O-N 3.17Å; Y163-F167 HydrophobicContact CD1-CD2 4.07Å; Y163-F167 AromaticContact CD1-CE2 3.98Å; Y163-F167 HydrophobicContact CD1-CE2 3.98Å; Y163-F167 HydrophobicContact CD2-CE2 4.35Å; Y163-F167 AromaticContact CE1-CD2 3.8Å; Y163-F167 HydrophobicContact CE1-CD2 3.8Å; Y163-F167 AromaticContact CE1-CE2 3.41Å; Y163-F167 HydrophobicContact CE1-CE2 3.41Å; Y163-F167 VanDerWaalsContact CE1-CE2 3.41Å; Y163-F167 AromaticContact CE2-CE2 3.86Å; Y163-F167 HydrophobicContact CE2-CE2 3.86Å; Y163-F167 HydrophobicContact CE2-CZ 4.47Å; Y163-F167 HydrophobicContact CG-CE2 4.42Å; Y163-F167 AromaticContact CZ-CE2 3.36Å; Y163-F167 WeakPolarHBondContact O-CD2 3.36Å; Y163-F167 PolarHBondContact O-N 3.38Å
164I85.4Confident87.1Confident5 Ų526.3 Ų26.33%0.02614%0.137CC..Hα-helixtrans-66.2-41.9-179-61.4162000110D160 S166 F167 A168 I197 V360 R363 K364 V367D160-I164 WeakPolarHBondContact O-CB 3.34Å; D160-I164 WeakPolarHBondContact O-CD1 3.36Å; D160-I164 WeakPolarHBondContact O-CG1 3.39Å; D160-I164 PolarHBondContact O-N 3.39Å; I164-S166 VanDerWaalsContact C-N 3.34Å; I164-S166 PolarHBondContact O-N 3Å; I164-F167 PolarHBondContact O-N 2.88Å; I164-A168 PolarHBondContact O-N 3.35Å; I164-I197 HydrophobicContact CB-CD1 3.96Å; I164-I197 HydrophobicContact CB-CG1 4.26Å; I164-I197 HydrophobicContact CG2-CD1 3.54Å; I164-I197 HydrophobicContact CG2-CG1 4.03Å; I164-V360 HydrophobicContact CG2-CG1 4.11Å; I164-R363 HydrophobicContact CD1-CB 4.46Å; I164-R363 HydrophobicContact CD1-CG 4.44Å; I164-K364 HydrophobicContact CD1-CB 4.12Å; I164-K364 HydrophobicContact CG2-CB 4.45Å; I164-K364 HydrophobicContact CG2-CD 4.43Å; I164-V367 HydrophobicContact CD1-CB 4.49Å; I164-V367 HydrophobicContact CD1-CG2 3.98Å
165L91.1Very high86.6Confident0 Ų019.2 Ų19.20%011%0.106CC..Hα-helixtrans-66.7-36.5178.8-172.965.8000111.8L117 F156 T161 C162 Y163 F167 A168 I169 F190 I197 L203 L208 L211L117-L165 HydrophobicContact CD2-CB 4.12Å; L117-L165 HydrophobicContact CD2-CD2 3.8Å; L117-L165 HydrophobicContact CD2-CG 3.92Å; F156-L165 HydrophobicContact CE1-CD2 3.55Å; F156-L165 HydrophobicContact CZ-CD2 3.68Å; T161-L165 VanDerWaalsContact O-CB 3.24Å; T161-L165 WeakPolarHBondContact O-CB 3.4Å; T161-L165 PolarHBondContact O-N 3.31Å; C162-L165 PolarHBondContact O-N 3.32Å; Y163-L165 PolarHBondContact O-N 3.39Å; L165-F167 VanDerWaalsContact C-N 3.29Å; L165-F167 PolarHBondContact O-N 2.98Å; L165-A168 HydrophobicContact CD1-CB 4.46Å; L165-A168 WeakPolarHBondContact O-CB 3.24Å; L165-A168 PolarHBondContact O-N 2.84Å; L165-I169 HydrophobicContact CG-CD1 4.21Å; L165-I169 VanDerWaalsContact O-CG1 3.29Å; L165-I169 WeakPolarHBondContact O-CG1 3.37Å; L165-I169 PolarHBondContact O-N 2.93Å; L165-F190 HydrophobicContact CD1-CZ 4.47Å; L165-I197 HydrophobicContact CB-CD1 4.11Å; L165-I197 HydrophobicContact CD1-CD1 4.36Å; L165-L203 HydrophobicContact CD1-CD1 4.37Å; L165-L203 HydrophobicContact CD2-CD1 3.61Å; L165-L208 HydrophobicContact CD1-CD2 3.89Å; L165-L211 HydrophobicContact CD2-CD1 3.86Å
166S90.5Very high86.2Confident0 Ų018.9 Ų18.90%010%0.103CC..Hα-helixtrans-56.7-44.1172.8-69.40000111.4F144 C162 Y163 I164 I169 I170F144-S166 WeakPolarHBondContact CE1-OG 3.49Å; C162-S166 WeakPolarHBondContact O-CB 3.39Å; C162-S166 PolarHBondContact O-N 3.42Å; C162-S166 PolarHBondContact O-OG 2.9Å; Y163-S166 WeakPolarHBondContact O-CB 3.42Å; Y163-S166 PolarHBondContact O-N 3.17Å; I164-S166 VanDerWaalsContact C-N 3.34Å; I164-S166 PolarHBondContact O-N 3Å; S166-I169 WeakPolarHBondContact O-CB 3.38Å; S166-I169 PolarHBondContact O-N 3.47Å; S166-I170 VanDerWaalsContact O-CG1 3.29Å; S166-I170 WeakPolarHBondContact O-CG1 3.44Å; S166-I170 PolarHBondContact O-N 2.86Å
167F81.1Confident85.7Confident3 Ų320.6 Ų20.61%0.01311%0.111CC..Hα-helixtrans-67.9-39.3174.7-73.2-53.5000113.6I137 M141 Y163 I164 L165 I169 I170 M171 F356 V360I137-F167 HydrophobicContact CG2-CE1 4.06Å; I137-F167 HydrophobicContact CG2-CZ 4.04Å; M141-F167 HydrophobicContact CB-CE1 4.38Å; M141-F167 HydrophobicContact CB-CE2 4.24Å; M141-F167 HydrophobicContact CB-CZ 3.72Å; M141-F167 HydrophobicContact CE-CE1 4.35Å; M141-F167 HydrophobicContact CG-CE1 3.73Å; M141-F167 HydrophobicContact CG-CE2 4.45Å; M141-F167 HydrophobicContact CG-CZ 3.52Å; Y163-F167 HydrophobicContact CD1-CD2 4.07Å; Y163-F167 AromaticContact CD1-CE2 3.98Å; Y163-F167 HydrophobicContact CD1-CE2 3.98Å; Y163-F167 HydrophobicContact CD2-CE2 4.35Å; Y163-F167 AromaticContact CE1-CD2 3.8Å; Y163-F167 HydrophobicContact CE1-CD2 3.8Å; Y163-F167 AromaticContact CE1-CE2 3.41Å; Y163-F167 HydrophobicContact CE1-CE2 3.41Å; Y163-F167 VanDerWaalsContact CE1-CE2 3.41Å; Y163-F167 AromaticContact CE2-CE2 3.86Å; Y163-F167 HydrophobicContact CE2-CE2 3.86Å; Y163-F167 HydrophobicContact CE2-CZ 4.47Å; Y163-F167 HydrophobicContact CG-CE2 4.42Å; Y163-F167 AromaticContact CZ-CE2 3.36Å; Y163-F167 WeakPolarHBondContact O-CD2 3.36Å; Y163-F167 PolarHBondContact O-N 3.38Å; I164-F167 PolarHBondContact O-N 2.88Å; L165-F167 VanDerWaalsContact C-N 3.29Å; L165-F167 PolarHBondContact O-N 2.98Å; F167-I169 PolarHBondContact O-N 2.91Å; F167-I170 HydrophobicContact CD1-CD1 4.07Å; F167-I170 HydrophobicContact CE1-CD1 4.4Å; F167-I170 PolarHBondContact O-N 3.45Å; F167-I170 VanDerWaalsContact O-N 3.16Å; F167-M171 WeakPolarHBondContact O-CB 3.34Å; F167-M171 WeakPolarHBondContact O-CG 3.48Å; F167-M171 PolarHBondContact O-N 3.28Å; F167-F356 HydrophobicContact CD1-CE1 4.18Å; F167-F356 HydrophobicContact CD1-CE2 4.18Å; F167-F356 AromaticContact CD1-CZ 3.37Å; F167-F356 HydrophobicContact CD1-CZ 3.37Å; F167-F356 HydrophobicContact CD2-CZ 4.4Å; F167-F356 HydrophobicContact CE1-CE1 4.33Å; F167-F356 AromaticContact CE1-CE2 3.53Å; F167-F356 HydrophobicContact CE1-CE2 3.53Å; F167-F356 AromaticContact CE1-CZ 3.16Å; F167-F356 HydrophobicContact CE1-CZ 3.16Å; F167-F356 HydrophobicContact CE2-CE2 4.19Å; F167-F356 HydrophobicContact CE2-CZ 4.16Å; F167-F356 HydrophobicContact CG-CZ 4.01Å; F167-F356 AromaticContact CZ-CE2 3.49Å; F167-F356 HydrophobicContact CZ-CE2 3.49Å; F167-F356 VanDerWaalsContact CZ-CE2 3.49Å; F167-F356 AromaticContact CZ-CZ 3.56Å; F167-F356 HydrophobicContact CZ-CZ 3.56Å; F167-V360 HydrophobicContact CB-CG2 4.48Å; F167-V360 HydrophobicContact CD2-CG2 3.57Å; F167-V360 HydrophobicContact CE2-CG2 3.96Å; F167-V360 HydrophobicContact CG-CG2 4.16Å
168A81.9Confident84.7Confident18 Ų1816.3 Ų16.315%0.1499%0.091CC..Hα-helixtrans-57.8-37.4173.800000111.6I164 L165 L172 F190 N194I164-A168 PolarHBondContact O-N 3.35Å; L165-A168 HydrophobicContact CD1-CB 4.46Å; L165-A168 WeakPolarHBondContact O-CB 3.24Å; L165-A168 PolarHBondContact O-N 2.84Å; A168-L172 VanDerWaalsContact O-CB 3.29Å; A168-L172 WeakPolarHBondContact O-CB 3.31Å; A168-L172 PolarHBondContact O-N 2.82Å; A168-F190 HydrophobicContact CB-CE2 4.26Å; A168-N194 WeakPolarHBondContact CB-OD1 3.04Å
169I87.8Confident83.5Confident0 Ų020.7 Ų20.70%012%0.119CC..Hα-helixtrans-68-44.4175-70.4164.6000111.7L117 V118 L121 L165 S166 F167 M171 L172 N173 F190 L211 I215 F220L117-I169 HydrophobicContact CB-CD1 4.22Å; L117-I169 HydrophobicContact CD2-CD1 3.52Å; L117-I169 HydrophobicContact CG-CD1 3.81Å; V118-I169 HydrophobicContact CG2-CD1 4.04Å; V118-I169 HydrophobicContact CG2-CG1 4.4Å; V118-I169 HydrophobicContact CG2-CG2 3.73Å; L121-I169 HydrophobicContact CD1-CB 4.17Å; L121-I169 HydrophobicContact CD1-CD1 4.14Å; L121-I169 HydrophobicContact CD1-CG2 3.83Å; L165-I169 HydrophobicContact CG-CD1 4.21Å; L165-I169 VanDerWaalsContact O-CG1 3.29Å; L165-I169 WeakPolarHBondContact O-CG1 3.37Å; L165-I169 PolarHBondContact O-N 2.93Å; S166-I169 WeakPolarHBondContact O-CB 3.38Å; S166-I169 PolarHBondContact O-N 3.47Å; F167-I169 PolarHBondContact O-N 2.91Å; I169-M171 VanDerWaalsContact C-N 3.34Å; I169-L172 WeakPolarHBondContact O-CB 3.29Å; I169-L172 PolarHBondContact O-N 2.9Å; I169-N173 PolarHBondContact O-N 3Å; I169-F190 HydrophobicContact CG1-CZ 4.32Å; I169-L211 HydrophobicContact CD1-CD1 4.21Å; I169-L211 HydrophobicContact CD1-CD2 4.28Å; I169-I215 HydrophobicContact CG2-CD1 3.74Å; I169-I215 HydrophobicContact CG2-CG1 3.81Å; I169-F220 HydrophobicContact CG2-CE2 4.02Å; I169-F220 HydrophobicContact CG2-CZ 3.76Å
170I81.9Confident81.7Confident5 Ų523.7 Ų23.73%0.02613%0.133CC..Hα-helixtrans-63.5-43.1177.5-59.6166.3000109.6M141 S166 F167 L172 N173 T174 F220 T231 F234M141-I170 HydrophobicContact CE-CD1 4.02Å; M141-I170 HydrophobicContact SD-CD1 4.48Å; S166-I170 VanDerWaalsContact O-CG1 3.29Å; S166-I170 WeakPolarHBondContact O-CG1 3.44Å; S166-I170 PolarHBondContact O-N 2.86Å; F167-I170 HydrophobicContact CD1-CD1 4.07Å; F167-I170 HydrophobicContact CE1-CD1 4.4Å; F167-I170 PolarHBondContact O-N 3.45Å; F167-I170 VanDerWaalsContact O-N 3.16Å; I170-L172 VanDerWaalsContact C-N 3.31Å; I170-L172 PolarHBondContact O-N 3.18Å; I170-N173 WeakPolarHBondContact O-CB 3.44Å; I170-N173 PolarHBondContact O-N 3.49Å; I170-T174 PolarHBondContact O-N 2.87Å; I170-F220 HydrophobicContact CG1-CE2 4.22Å; I170-T231 HydrophobicContact CG2-CG2 4.22Å; I170-F234 HydrophobicContact CB-CE2 4.14Å; I170-F234 HydrophobicContact CB-CZ 4.17Å; I170-F234 HydrophobicContact CG2-CE2 3.45Å; I170-F234 VanDerWaalsContact CG2-CE2 3.45Å; I170-F234 HydrophobicContact CG2-CZ 3.65Å
171M74.9Confident80Confident84 Ų8423.8 Ų23.841%0.41414%0.135SC..Hα-helixtrans-62.7-37.8174.5-70.5-1797300112.2F167 I169 N173 T174 S175 F234F167-M171 WeakPolarHBondContact O-CB 3.34Å; F167-M171 WeakPolarHBondContact O-CG 3.48Å; F167-M171 PolarHBondContact O-N 3.28Å; I169-M171 VanDerWaalsContact C-N 3.34Å; M171-N173 VanDerWaalsContact C-N 3.33Å; M171-N173 PolarHBondContact O-N 2.91Å; M171-T174 PolarHBondContact O-N 3.28Å; M171-S175 PolarHBondContact O-N 3.28Å; M171-F234 HydrophobicContact CB-CE2 4.39Å; M171-F234 HydrophobicContact CG-CE2 3.85Å; M171-F234 HydrophobicContact CG-CZ 3.82Å
172L83.2Confident78.3Confident4 Ų432.3 Ų32.32%0.02117%0.172CC..Hα-helixtrans-61.5-41.7175179.267.6000111.3A168 I169 I170 T174 S175 L176 T185 F190 Y212 I215A168-L172 VanDerWaalsContact O-CB 3.29Å; A168-L172 WeakPolarHBondContact O-CB 3.31Å; A168-L172 PolarHBondContact O-N 2.82Å; I169-L172 WeakPolarHBondContact O-CB 3.29Å; I169-L172 PolarHBondContact O-N 2.9Å; I170-L172 VanDerWaalsContact C-N 3.31Å; I170-L172 PolarHBondContact O-N 3.18Å; L172-T174 VanDerWaalsContact C-N 3.34Å; L172-T174 PolarHBondContact O-N 3.4Å; L172-S175 PolarHBondContact O-N 3.25Å; L172-L176 HydrophobicContact CD1-CD1 3.85Å; L172-L176 HydrophobicContact CD1-CD2 4.37Å; L172-L176 HydrophobicContact CD1-CG 3.84Å; L172-L176 HydrophobicContact CD2-CD1 4.35Å; L172-L176 HydrophobicContact CG-CD1 3.88Å; L172-L176 HydrophobicContact CG-CG 4.18Å; L172-L176 WeakPolarHBondContact O-CG 3.29Å; L172-L176 PolarHBondContact O-N 3.24Å; L172-T185 HydrophobicContact CD1-CG2 4.12Å; L172-F190 HydrophobicContact CB-CD2 4.28Å; L172-F190 HydrophobicContact CB-CE2 4.05Å; L172-F190 HydrophobicContact CD1-CD2 4.04Å; L172-F190 HydrophobicContact CD2-CD2 3.92Å; L172-F190 HydrophobicContact CD2-CE1 4.45Å; L172-F190 HydrophobicContact CD2-CE2 3.84Å; L172-F190 HydrophobicContact CD2-CG 4.28Å; L172-F190 HydrophobicContact CD2-CZ 4.12Å; L172-F190 HydrophobicContact CG-CD2 4.3Å; L172-F190 HydrophobicContact CG-CE2 4.37Å; L172-Y212 HydrophobicContact CD1-CD2 3.74Å; L172-Y212 HydrophobicContact CD1-CE2 3.7Å; L172-Y212 HydrophobicContact CD2-CD2 3.59Å; L172-Y212 HydrophobicContact CD2-CE2 4.34Å; L172-Y212 HydrophobicContact CD2-CG 4.2Å; L172-Y212 HydrophobicContact CG-CD2 4.27Å; L172-I215 HydrophobicContact CD2-CB 4.22Å; L172-I215 HydrophobicContact CD2-CG1 4.47Å; L172-I215 HydrophobicContact CD2-CG2 4.41Å; L172-I215 HydrophobicContact CG-CG2 4.29Å
173N83.2Confident76.8Confident0 Ų037.2 Ų37.20%020%0.199CC..Hα-helixtrans-56.2-49.3176.4179.380.1000111.3I169 I170 M171 L176 H177 I215 P219 F220 T231I169-N173 PolarHBondContact O-N 3Å; I170-N173 WeakPolarHBondContact O-CB 3.44Å; I170-N173 PolarHBondContact O-N 3.49Å; M171-N173 VanDerWaalsContact C-N 3.33Å; M171-N173 PolarHBondContact O-N 2.91Å; N173-L176 PolarHBondContact O-N 3.06Å; N173-H177 WeakPolarHBondContact O-CB 3.46Å; N173-H177 PolarHBondContact O-CD2 2.91Å; N173-H177 PolarHBondContact O-N 3.34Å; N173-H177 PolarHBondContact OD1-CD2 2.95Å; N173-I215 HydrophobicContact CB-CG2 3.91Å; N173-P219 VanDerWaalsContact OD1-CA 3.28Å; N173-P219 WeakPolarHBondContact OD1-CA 3.47Å; N173-F220 HydrophobicContact CB-CD2 3.69Å; N173-F220 HydrophobicContact CB-CE2 4.03Å; N173-F220 PolarHBondContact OD1-N 3Å; N173-T231 PolarHBondContact ND2-O 3.34Å
174T74.4Confident76.2Confident13 Ų1340.9 Ų40.98%0.0821%0.214CC..Hα-helixtrans-62.7-44.5176.7-51.90000111.2I170 M171 L172 L176 N178 T231 F234I170-T174 PolarHBondContact O-N 2.87Å; M171-T174 PolarHBondContact O-N 3.28Å; L172-T174 VanDerWaalsContact C-N 3.34Å; L172-T174 PolarHBondContact O-N 3.4Å; T174-L176 PolarHBondContact O-N 2.85Å; T174-N178 HydrophobicContact CG2-CB 3.98Å; T174-N178 WeakPolarHBondContact O-CB 3.29Å; T174-N178 PolarHBondContact O-N 3.45Å; T174-T231 PolarHBondContact OG1-O 2.68Å; T174-F234 WeakPolarHBondContact OG1-CD2 3.47Å
175S77.5Confident75.8Confident13 Ų1341.3 Ų41.39%0.09122%0.217CC..Hα-helixtrans-56.9-49.6178-177.10000111.6M171 L172 K184 T185M171-S175 PolarHBondContact O-N 3.28Å; L172-S175 PolarHBondContact O-N 3.25Å; S175-K184 WeakPolarHBondContact O-CD 3.4Å; S175-K184 WeakPolarHBondContact O-CE 3.35Å; S175-K184 PolarHBondContact O-NZ 3.44Å; S175-T185 WeakPolarHBondContact OG-CB 3.45Å; S175-T185 PolarHBondContact OG-N 3.19Å; S175-T185 PolarHBondContact OG-OG1 2.98Å
176L82Confident75.8Confident26 Ų2644.5 Ų44.514%0.13624%0.237CC..Hα-helixtrans-72.4-43.8-175.9-66.1-176.8000112.6L172 N173 T174 K184 T185 Y212 I215 R216L172-L176 HydrophobicContact CD1-CD1 3.85Å; L172-L176 HydrophobicContact CD1-CD2 4.37Å; L172-L176 HydrophobicContact CD1-CG 3.84Å; L172-L176 HydrophobicContact CD2-CD1 4.35Å; L172-L176 HydrophobicContact CG-CD1 3.88Å; L172-L176 HydrophobicContact CG-CG 4.18Å; L172-L176 WeakPolarHBondContact O-CG 3.29Å; L172-L176 PolarHBondContact O-N 3.24Å; N173-L176 PolarHBondContact O-N 3.06Å; T174-L176 PolarHBondContact O-N 2.85Å; L176-K184 HydrophobicContact CD2-CB 4.48Å; L176-K184 VanDerWaalsContact O-CE 3.3Å; L176-K184 WeakPolarHBondContact O-CE 3.36Å; L176-K184 PolarHBondContact O-NZ 2.91Å; L176-T185 WeakPolarHBondContact CD2-O 3.3Å; L176-Y212 HydrophobicContact CD1-CE2 4.18Å; L176-Y212 HydrophobicContact CD2-CE2 4.35Å; L176-I215 HydrophobicContact CD1-CG2 4.18Å; L176-R216 HydrophobicContact CD1-CB 3.87Å; L176-R216 HydrophobicContact CD1-CG 4.4Å
177H80.8Confident75.9Confident51 Ų5146 Ų4624%0.23625%0.245CC..Hα-helixtrans-106.9-17.5-164.4-60.9-65000115.5N173 P179 I215 R216 P219N173-H177 WeakPolarHBondContact O-CB 3.46Å; N173-H177 PolarHBondContact O-CD2 2.91Å; N173-H177 PolarHBondContact O-N 3.34Å; N173-H177 PolarHBondContact OD1-CD2 2.95Å; H177-P179 VanDerWaalsContact O-CD 3.24Å; H177-P179 WeakPolarHBondContact O-CD 3.45Å; H177-I215 PolarHBondContact CE1-O 3.39Å; H177-I215 PolarHBondContact NE2-O 3.4Å; H177-R216 PolarHBondContact CE1-O 3.33Å; H177-P219 HydrophobicContact CB-CB 4.19Å
178N70.3Confident76.4Confident11 Ų1152.2 Ų52.26%0.05927%0.274CS..  trans-74.4117.6174.6-173.2-30.7000109.5T174 N180 V181 K184 H232T174-N178 HydrophobicContact CG2-CB 3.98Å; T174-N178 WeakPolarHBondContact O-CB 3.29Å; T174-N178 PolarHBondContact O-N 3.45Å; N178-N180 PolarHBondContact O-N 3.35Å; N178-N180 VanDerWaalsContact O-N 3.1Å; N178-N180 VanDerWaalsContact OD1-CB 3.27Å; N178-N180 WeakPolarHBondContact OD1-CB 3.46Å; N178-N180 PolarHBondContact OD1-N 2.97Å; N178-N180 PolarHBondContact OD1-ND2 3.29Å; N178-V181 HydrophobicContact CB-CG2 4.07Å; N178-V181 PolarHBondContact O-N 3.41Å; N178-K184 PolarHBondContact O-NZ 3.36Å; N178-H232 PolarHBondContact ND2-O 3.4Å
179P66.5Low76.4Confident119 Ų11956.5 Ų56.577%0.77329%0.286SS*.THydrogen-bonded Turntrans-60.1-22.8-179-23.835.2000114.1H177 V181H177-P179 VanDerWaalsContact O-CD 3.24Å; H177-P179 WeakPolarHBondContact O-CD 3.45Å; P179-V181 VanDerWaalsContact C-N 3.31Å
180N54.6Low76.3Confident106 Ų10656.7 Ų56.757%0.56729%0.287SS*.THydrogen-bonded Turntrans-75.2-19.6179-61.8-48.5000113N178 K182N178-N180 PolarHBondContact O-N 3.35Å; N178-N180 VanDerWaalsContact O-N 3.1Å; N178-N180 VanDerWaalsContact OD1-CB 3.27Å; N178-N180 WeakPolarHBondContact OD1-CB 3.46Å; N178-N180 PolarHBondContact OD1-N 2.97Å; N178-N180 PolarHBondContact OD1-ND2 3.29Å; N180-K182 PolarHBondContact O-N 3.23Å
181V53.3Low76.7Confident42 Ų4257.8 Ų57.826%0.25529%0.293SS..  trans-81.8107.5175.3179.90000109.2N178 P179 D183 K184N178-V181 HydrophobicContact CB-CG2 4.07Å; N178-V181 PolarHBondContact O-N 3.41Å; P179-V181 VanDerWaalsContact C-N 3.31Å; V181-D183 VanDerWaalsContact CG1-O 3.31Å; V181-D183 WeakPolarHBondContact CG1-O 3.41Å; V181-K184 WeakPolarHBondContact O-CD 3.39Å; V181-K184 WeakPolarHBondContact O-CE 3.36Å; V181-K184 PolarHBondContact O-NZ 3.49Å
182K57.5Low77Confident178 Ų17857 Ų5777%0.77430%0.295SS*.  trans-78.4-37.7-180-64.5-175.7179.9179.80113.2N180 K184N180-K182 PolarHBondContact O-N 3.23Å; K182-K184 PolarHBondContact O-N 2.88Å
183D64.4Low76.8Confident103 Ų10361.1 Ų61.155%0.55132%0.316SS*.SBendtrans-92.995178.9-176.319.9000109.5V181 R189V181-D183 VanDerWaalsContact CG1-O 3.31Å; V181-D183 WeakPolarHBondContact CG1-O 3.41Å; D183-R189 VanDerWaalsContact CG-NH1 3.34Å; D183-R189 IonicContact OD1-NH1 2.79Å; D183-R189 PolarHBondContact OD1-NH1 3.19Å; D183-R189 IonicContact OD2-CZ 2.8Å; D183-R189 IonicContact OD2-NH1 2.71Å; D183-R189 PolarHBondContact OD2-NH1 3.48Å; D183-R189 IonicContact OD2-NH2 2.73Å
184K77.9Confident76.8Confident77 Ų7761.4 Ų61.434%0.33532%0.317SS..PPolyproline II helixtrans-76.9125.8-179.8-57.4-57.6-169.1-175.50109S175 L176 N178 V181 K182 T186S175-K184 WeakPolarHBondContact O-CD 3.4Å; S175-K184 WeakPolarHBondContact O-CE 3.35Å; S175-K184 PolarHBondContact O-NZ 3.44Å; L176-K184 HydrophobicContact CD2-CB 4.48Å; L176-K184 VanDerWaalsContact O-CE 3.3Å; L176-K184 WeakPolarHBondContact O-CE 3.36Å; L176-K184 PolarHBondContact O-NZ 2.91Å; N178-K184 PolarHBondContact O-NZ 3.36Å; V181-K184 WeakPolarHBondContact O-CD 3.39Å; V181-K184 WeakPolarHBondContact O-CE 3.36Å; V181-K184 PolarHBondContact O-NZ 3.49Å; K182-K184 PolarHBondContact O-N 2.88Å; K184-T186 PolarHBondContact O-N 3.42Å
185T77.7Confident77.4Confident14 Ų1468.2 Ų68.29%0.08634%0.341CS..PPolyproline II helixtrans-62.2121.3177-58.50000109.5L172 S175 L176 R189 F190 M193 Y212L172-T185 HydrophobicContact CD1-CG2 4.12Å; S175-T185 WeakPolarHBondContact OG-CB 3.45Å; S175-T185 PolarHBondContact OG-N 3.19Å; S175-T185 PolarHBondContact OG-OG1 2.98Å; L176-T185 WeakPolarHBondContact CD2-O 3.3Å; T185-R189 HydrophobicContact CG2-CB 4.11Å; T185-R189 HydrophobicContact CG2-CG 4.03Å; T185-F190 HydrophobicContact CG2-CB 4.09Å; T185-M193 HydrophobicContact CG2-SD 4.19Å; T185-Y212 WeakPolarHBondContact O-CE2 3.2Å; T185-Y212 PolarHBondContact O-OH 2.83Å
186T89.4Confident77.8Confident67 Ų6768.1 Ų68.141%0.41134%0.342SS..PPolyproline II helixtrans-78.8166.9174.8770000111.4K184 E188 R189 F190K184-T186 PolarHBondContact O-N 3.42Å; T186-E188 VanDerWaalsContact C-N 3.35Å; T186-E188 WeakPolarHBondContact CB-OE2 3.05Å; T186-E188 PolarHBondContact O-N 3.15Å; T186-E188 PolarHBondContact OG1-OE2 3.41Å; T186-R189 PolarHBondContact O-N 3.22Å; T186-R189 PolarHBondContact OG1-N 3.3Å; T186-F190 WeakPolarHBondContact O-CB 3.48Å; T186-F190 PolarHBondContact O-N 2.85Å
187L94.1Very high78.1Confident33 Ų3366.9 Ų66.917%0.17334%0.336CS..Hα-helixtrans-57.9-46.7175.617359.8000111.7R189 F190 I191 T209 Y212L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 3.16Å; L187-F190 PolarHBondContact O-N 3.19Å; L187-F190 VanDerWaalsContact O-N 3.17Å; L187-I191 HydrophobicContact CD1-CD1 3.93Å; L187-I191 HydrophobicContact CD1-CG1 4.18Å; L187-I191 HydrophobicContact CG-CD1 4.04Å; L187-I191 WeakPolarHBondContact O-CG1 3.07Å; L187-I191 PolarHBondContact O-N 3.01Å; L187-T209 HydrophobicContact CD1-CG2 4.25Å; L187-T209 HydrophobicContact CD2-CG2 3.85Å; L187-Y212 HydrophobicContact CB-CD1 4.01Å; L187-Y212 HydrophobicContact CB-CE1 3.94Å; L187-Y212 HydrophobicContact CB-CG 4.36Å; L187-Y212 HydrophobicContact CD1-CD1 3.95Å; L187-Y212 HydrophobicContact CD1-CD2 4.44Å; L187-Y212 HydrophobicContact CD1-CG 3.81Å
188E91.9Very high78.5Confident133 Ų13365.1 Ų65.162%0.62133%0.328SS*.Hα-helixtrans-63.1-39.5-179.3-56.673.4-158.700111T186 I191 S192T186-E188 VanDerWaalsContact C-N 3.35Å; T186-E188 WeakPolarHBondContact CB-OE2 3.05Å; T186-E188 PolarHBondContact O-N 3.15Å; T186-E188 PolarHBondContact OG1-OE2 3.41Å; E188-I191 PolarHBondContact O-N 2.92Å; E188-S192 WeakPolarHBondContact O-CB 3.36Å; E188-S192 PolarHBondContact O-N 3.03Å
189R81Confident79.3Confident108 Ų10867 Ų6741%0.40834%0.339SS..Hα-helixtrans-65.5-44.1175.1-175.4176.4175.41730.6110.9D183 T185 T186 L187 I191 S192 M193D183-R189 VanDerWaalsContact CG-NH1 3.34Å; D183-R189 IonicContact OD1-NH1 2.79Å; D183-R189 PolarHBondContact OD1-NH1 3.19Å; D183-R189 IonicContact OD2-CZ 2.8Å; D183-R189 IonicContact OD2-NH1 2.71Å; D183-R189 PolarHBondContact OD2-NH1 3.48Å; D183-R189 IonicContact OD2-NH2 2.73Å; T185-R189 HydrophobicContact CG2-CB 4.11Å; T185-R189 HydrophobicContact CG2-CG 4.03Å; T186-R189 PolarHBondContact O-N 3.22Å; T186-R189 PolarHBondContact OG1-N 3.3Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 3.16Å; R189-I191 PolarHBondContact O-N 3.24Å; R189-S192 PolarHBondContact O-N 2.86Å; R189-M193 HydrophobicContact CG-CG 4.28Å; R189-M193 HydrophobicContact CG-SD 3.83Å; R189-M193 WeakPolarHBondContact O-CB 2.92Å; R189-M193 WeakPolarHBondContact O-CG 3.47Å; R189-M193 PolarHBondContact O-N 2.93Å
190F85.6Confident80.1Confident4 Ų463 Ų632%0.01832%0.319CS..Hα-helixtrans-61.1-42.8177.1-177-106.6000111.9L165 A168 I169 L172 T185 T186 L187 M193 N194 L208 Y212L165-F190 HydrophobicContact CD1-CZ 4.47Å; A168-F190 HydrophobicContact CB-CE2 4.26Å; I169-F190 HydrophobicContact CG1-CZ 4.32Å; L172-F190 HydrophobicContact CB-CD2 4.28Å; L172-F190 HydrophobicContact CB-CE2 4.05Å; L172-F190 HydrophobicContact CD1-CD2 4.04Å; L172-F190 HydrophobicContact CD2-CD2 3.92Å; L172-F190 HydrophobicContact CD2-CE1 4.45Å; L172-F190 HydrophobicContact CD2-CE2 3.84Å; L172-F190 HydrophobicContact CD2-CG 4.28Å; L172-F190 HydrophobicContact CD2-CZ 4.12Å; L172-F190 HydrophobicContact CG-CD2 4.3Å; L172-F190 HydrophobicContact CG-CE2 4.37Å; T185-F190 HydrophobicContact CG2-CB 4.09Å; T186-F190 WeakPolarHBondContact O-CB 3.48Å; T186-F190 PolarHBondContact O-N 2.85Å; L187-F190 PolarHBondContact O-N 3.19Å; L187-F190 VanDerWaalsContact O-N 3.17Å; F190-M193 PolarHBondContact O-N 2.74Å; F190-N194 WeakPolarHBondContact CE2-ND2 3.27Å; F190-N194 PolarHBondContact O-N 3.42Å; F190-N194 PolarHBondContact O-ND2 2.76Å; F190-L208 HydrophobicContact CE1-CB 4.36Å; F190-L208 HydrophobicContact CE1-CD2 4.17Å; F190-Y212 HydrophobicContact CB-CD2 3.81Å; F190-Y212 HydrophobicContact CB-CE2 4.31Å; F190-Y212 HydrophobicContact CD1-CD2 4.2Å; F190-Y212 HydrophobicContact CG-CD2 4.01Å
191I89.8Confident81.8Confident27 Ų2763.6 Ų63.614%0.13832%0.318CS..Hα-helixtrans-61.2-49.4173.7-67.6168.8000110.2L187 E188 R189 M193 N194 R195 N205 L208L187-I191 HydrophobicContact CD1-CD1 3.93Å; L187-I191 HydrophobicContact CD1-CG1 4.18Å; L187-I191 HydrophobicContact CG-CD1 4.04Å; L187-I191 WeakPolarHBondContact O-CG1 3.07Å; L187-I191 PolarHBondContact O-N 3.01Å; E188-I191 PolarHBondContact O-N 2.92Å; R189-I191 PolarHBondContact O-N 3.24Å; I191-M193 VanDerWaalsContact C-N 3.31Å; I191-M193 PolarHBondContact O-N 2.92Å; I191-N194 PolarHBondContact O-N 2.98Å; I191-R195 PolarHBondContact O-N 3.14Å; I191-N205 WeakPolarHBondContact CG2-OD1 3.47Å; I191-L208 HydrophobicContact CB-CD1 4.44Å; I191-L208 HydrophobicContact CG1-CB 4.04Å; I191-L208 HydrophobicContact CG1-CD1 4.26Å; I191-L208 HydrophobicContact CG2-CD1 4.32Å
192S81.9Confident83.6Confident67 Ų6766 Ų6647%0.46933%0.33SS..Hα-helixtrans-61.3-36.5-179.9-174.50000113.3E188 R189 N194E188-S192 WeakPolarHBondContact O-CB 3.36Å; E188-S192 PolarHBondContact O-N 3.03Å; R189-S192 PolarHBondContact O-N 2.86Å; S192-N194 PolarHBondContact O-N 2.89Å
193M78.4Confident85.3Confident91 Ų9157.8 Ų57.845%0.44829%0.294SS..Hα-helixtrans-68.8-23.7-179.8-75.9173.265.900113T185 R189 F190 I191 K364T185-M193 HydrophobicContact CG2-SD 4.19Å; R189-M193 HydrophobicContact CG-CG 4.28Å; R189-M193 HydrophobicContact CG-SD 3.83Å; R189-M193 WeakPolarHBondContact O-CB 2.92Å; R189-M193 WeakPolarHBondContact O-CG 3.47Å; R189-M193 PolarHBondContact O-N 2.93Å; F190-M193 PolarHBondContact O-N 2.74Å; I191-M193 VanDerWaalsContact C-N 3.31Å; I191-M193 PolarHBondContact O-N 2.92Å; M193-K364 PolarHBondContact O-NZ 3.41Å
194N84.1Confident86.8Confident6 Ų656.8 Ų56.83%0.03229%0.293CS..THydrogen-bonded Turntrans-107.115.5-176.5-66.5-65.3000113.3A168 F190 I191 S192 I197 L208A168-N194 WeakPolarHBondContact CB-OD1 3.04Å; F190-N194 WeakPolarHBondContact CE2-ND2 3.27Å; F190-N194 PolarHBondContact O-N 3.42Å; F190-N194 PolarHBondContact O-ND2 2.76Å; I191-N194 PolarHBondContact O-N 2.98Å; S192-N194 PolarHBondContact O-N 2.89Å; N194-I197 HydrophobicContact CB-CG2 4.41Å; N194-I197 WeakPolarHBondContact O-CB 2.99Å; N194-I197 WeakPolarHBondContact O-CG2 3.3Å; N194-I197 PolarHBondContact O-N 3.19Å; N194-L208 HydrophobicContact CB-CD1 4.35Å; N194-L208 HydrophobicContact CB-CD2 4.44Å
195R85.6Confident87.6Confident156 Ų15657.6 Ų57.659%0.58930%0.301SS*.THydrogen-bonded Turntrans-63.3143.1170.6-73.3-173.9179177.4-0.5111.9I191 I197 D202I191-R195 PolarHBondContact O-N 3.14Å; R195-I197 PolarHBondContact O-N 3.37Å; R195-D202 WeakPolarHBondContact CA-OD1 3.31Å; R195-D202 VanDerWaalsContact CB-OD1 3.31Å; R195-D202 WeakPolarHBondContact CB-OD1 3.08Å
196G86.8Confident88.5Confident11 Ų1162.8 Ų62.811%0.11333%0.328CS..THydrogen-bonded Turntrans66.98-179.600000115.1N198 G200 E201 D202G196-N198 PolarHBondContact O-N 2.94Å; G196-G200 VanDerWaalsContact O-CA 3.32Å; G196-G200 WeakPolarHBondContact O-CA 3.38Å; G196-G200 PolarHBondContact O-N 2.8Å; G196-E201 CarbonylContact C-O 3.3Å; G196-E201 WeakPolarHBondContact CA-O 3.15Å; G196-E201 PolarHBondContact N-O 2.92Å; G196-D202 PolarHBondContact N-OD1 3.06Å
197I88.3Confident88.7Confident1 Ų161.3 Ų61.31%0.00532%0.318CS..THydrogen-bonded Turntrans-69.9-20.1-174.8-163169000112.9T161 I164 L165 N194 R195 N199 E201 L203 V367T161-I197 HydrophobicContact CG2-CG2 4.39Å; T161-I197 PolarHBondContact OG1-O 3.4Å; I164-I197 HydrophobicContact CB-CD1 3.96Å; I164-I197 HydrophobicContact CB-CG1 4.26Å; I164-I197 HydrophobicContact CG2-CD1 3.54Å; I164-I197 HydrophobicContact CG2-CG1 4.03Å; L165-I197 HydrophobicContact CB-CD1 4.11Å; L165-I197 HydrophobicContact CD1-CD1 4.36Å; N194-I197 HydrophobicContact CB-CG2 4.41Å; N194-I197 WeakPolarHBondContact O-CB 2.99Å; N194-I197 WeakPolarHBondContact O-CG2 3.3Å; N194-I197 PolarHBondContact O-N 3.19Å; R195-I197 PolarHBondContact O-N 3.37Å; I197-N199 PolarHBondContact O-N 2.71Å; I197-E201 PolarHBondContact N-O 3.1Å; I197-L203 HydrophobicContact CG2-CD1 3.55Å; I197-L203 HydrophobicContact CG2-CG 3.8Å; I197-V367 WeakPolarHBondContact O-CG1 3.28Å
198N90.1Very high88.8Confident14 Ų1459.9 Ų59.98%0.07531%0.311CS..BIsolated β-bridgetrans-94.868.9-177.6-16538.6000109.9Q157 T161 G196 G200 E201 L203Q157-N198 WeakPolarHBondContact CB-OD1 3.3Å; Q157-N198 WeakPolarHBondContact CG-OD1 3.33Å; Q157-N198 PolarHBondContact N-OD1 2.88Å; Q157-N198 PolarHBondContact NE2-ND2 3.05Å; T161-N198 HydrophobicContact CG2-CB 4.17Å; G196-N198 PolarHBondContact O-N 2.94Å; N198-G200 VanDerWaalsContact C-N 3.3Å; N198-G200 PolarHBondContact O-N 3.36Å; N198-E201 WeakPolarHBondContact CB-O 3.14Å; N198-E201 PolarHBondContact N-O 3.29Å; N198-E201 PolarHBondContact O-N 2.73Å; N198-L203 HydrophobicContact CB-CD2 3.8Å; N198-L203 HydrophobicContact CB-CG 4.08Å
199N86.6Confident89.1Confident51 Ų5155.6 Ų55.627%0.27329%0.293SS..THydrogen-bonded Turntrans53.540.8-175.5-62.4-12.5000114.2S158 I197S158-N199 PolarHBondContact OG-OD1 3.42Å; I197-N199 PolarHBondContact O-N 2.71Å
200G83.6Confident89.9Confident35 Ų3557.2 Ų57.236%0.36130%0.304SS..THydrogen-bonded Turntrans95.7-14.1-17800000114G196 N198G196-G200 VanDerWaalsContact O-CA 3.32Å; G196-G200 WeakPolarHBondContact O-CA 3.38Å; G196-G200 PolarHBondContact O-N 2.8Å; N198-G200 VanDerWaalsContact C-N 3.3Å; N198-G200 PolarHBondContact O-N 3.36Å
201E89.1Confident90.4Very high117 Ų11757 Ų5755%0.54730%0.303SS..BIsolated β-bridgetrans-95.7163.9173.5-61-171.1154.300112.9Q157 G196 I197 N198Q157-E201 PolarHBondContact NE2-OE2 2.94Å; G196-E201 CarbonylContact C-O 3.3Å; G196-E201 WeakPolarHBondContact CA-O 3.15Å; G196-E201 PolarHBondContact N-O 2.92Å; I197-E201 PolarHBondContact N-O 3.1Å; N198-E201 WeakPolarHBondContact CB-O 3.14Å; N198-E201 PolarHBondContact N-O 3.29Å; N198-E201 PolarHBondContact O-N 2.73Å
202D91.8Very high90.8Very high93 Ų9356.5 Ų56.550%0.49730%0.299SS..PPolyproline II helixtrans-85.5140.2175.6-71.7-19.2000111.1R195 G196R195-D202 WeakPolarHBondContact CA-OD1 3.31Å; R195-D202 VanDerWaalsContact CB-OD1 3.31Å; R195-D202 WeakPolarHBondContact CB-OD1 3.08Å; G196-D202 PolarHBondContact N-OD1 3.06Å
203L93.9Very high91.5Very high5 Ų555.8 Ų55.83%0.02629%0.288CS..PPolyproline II helixtrans-73.1152.6166.8-70172.5000110.5F156 T161 L165 I197 N198 N205 L207 L208F156-L203 HydrophobicContact CD1-CD1 4.44Å; F156-L203 HydrophobicContact CD1-CD2 3.93Å; F156-L203 HydrophobicContact CE1-CD1 4.07Å; F156-L203 HydrophobicContact CE1-CD2 4.18Å; T161-L203 HydrophobicContact CG2-CD1 4.37Å; T161-L203 HydrophobicContact CG2-CD2 4.34Å; L165-L203 HydrophobicContact CD1-CD1 4.37Å; L165-L203 HydrophobicContact CD2-CD1 3.61Å; I197-L203 HydrophobicContact CG2-CD1 3.55Å; I197-L203 HydrophobicContact CG2-CG 3.8Å; N198-L203 HydrophobicContact CB-CD2 3.8Å; N198-L203 HydrophobicContact CB-CG 4.08Å; L203-N205 PolarHBondContact O-N 3.43Å; L203-L207 HydrophobicContact CD2-CD2 4.49Å; L203-L208 HydrophobicContact CB-CD1 4.32Å; L203-L208 HydrophobicContact CB-CD2 4.33Å; L203-L208 HydrophobicContact CB-CG 4.21Å; L203-L208 HydrophobicContact CD1-CD2 4.1Å
204P95.6Very high92.4Very high83 Ų8352.6 Ų52.654%0.53928%0.275SS..PPolyproline II helixtrans-55.5130.9176.7-25.334.1000112.1D206 L207 L208P204-D206 PolarHBondContact O-N 2.82Å; P204-L207 HydrophobicContact CB-CB 4.23Å; P204-L207 WeakPolarHBondContact O-CB 3.4Å; P204-L207 PolarHBondContact O-N 3.3Å; P204-L208 PolarHBondContact O-N 2.79Å
205N94.5Very high92.9Very high94 Ų9452.3 Ų52.350%0.50327%0.273SS..Hα-helixtrans-57-36.3179.2-73.9-17.2000112.2I191 L203 L207 L208 T209I191-N205 WeakPolarHBondContact CG2-OD1 3.47Å; L203-N205 PolarHBondContact O-N 3.43Å; N205-L207 VanDerWaalsContact C-N 3.3Å; N205-L207 PolarHBondContact O-N 2.54Å; N205-L208 PolarHBondContact O-N 3.42Å; N205-T209 VanDerWaalsContact O-CB 3.29Å; N205-T209 WeakPolarHBondContact O-CB 3.35Å; N205-T209 PolarHBondContact O-N 2.71Å; N205-T209 PolarHBondContact O-OG1 3.49Å
206D95.6Very high93.4Very high122 Ų12251.3 Ų51.365%0.65227%0.27SS*.Hα-helixtrans-63.6-35.9177.2-68.7-11000112.1P204 K210P204-D206 PolarHBondContact O-N 2.82Å; D206-K210 VanDerWaalsContact O-CG 3.27Å; D206-K210 WeakPolarHBondContact O-CG 3.38Å; D206-K210 PolarHBondContact O-N 3.01Å
207L95.2Very high93.8Very high37 Ų3756.8 Ų56.819%0.19430%0.296CS..Hα-helixtrans-66-52.5175.117664.2000110V155 F156 L203 P204 N205 T209 K210 L211V155-L207 HydrophobicContact CG1-CD2 4.27Å; F156-L207 HydrophobicContact CE1-CD2 4.2Å; L203-L207 HydrophobicContact CD2-CD2 4.49Å; P204-L207 HydrophobicContact CB-CB 4.23Å; P204-L207 WeakPolarHBondContact O-CB 3.4Å; P204-L207 PolarHBondContact O-N 3.3Å; N205-L207 VanDerWaalsContact C-N 3.3Å; N205-L207 PolarHBondContact O-N 2.54Å; L207-T209 VanDerWaalsContact C-N 3.25Å; L207-T209 PolarHBondContact O-N 3.04Å; L207-K210 PolarHBondContact O-N 2.78Å; L207-L211 HydrophobicContact CD1-CD1 4.28Å; L207-L211 HydrophobicContact CD1-CG 4.4Å; L207-L211 HydrophobicContact CG-CD1 4.11Å; L207-L211 VanDerWaalsContact O-CG 3.29Å; L207-L211 WeakPolarHBondContact O-CG 3.4Å; L207-L211 PolarHBondContact O-N 3.41Å
208L96.3Very high94Very high3 Ų360.3 Ų60.32%0.01631%0.313CS..Hα-helixtrans-60.5-36.9179.6-65.3178.6000112.1L165 F190 I191 N194 L203 P204 N205 L211 Y212L165-L208 HydrophobicContact CD1-CD2 3.89Å; F190-L208 HydrophobicContact CE1-CB 4.36Å; F190-L208 HydrophobicContact CE1-CD2 4.17Å; I191-L208 HydrophobicContact CB-CD1 4.44Å; I191-L208 HydrophobicContact CG1-CB 4.04Å; I191-L208 HydrophobicContact CG1-CD1 4.26Å; I191-L208 HydrophobicContact CG2-CD1 4.32Å; N194-L208 HydrophobicContact CB-CD1 4.35Å; N194-L208 HydrophobicContact CB-CD2 4.44Å; L203-L208 HydrophobicContact CB-CD1 4.32Å; L203-L208 HydrophobicContact CB-CD2 4.33Å; L203-L208 HydrophobicContact CB-CG 4.21Å; L203-L208 HydrophobicContact CD1-CD2 4.1Å; P204-L208 PolarHBondContact O-N 2.79Å; N205-L208 PolarHBondContact O-N 3.42Å; L208-L211 HydrophobicContact CD2-CD1 4.48Å; L208-L211 PolarHBondContact O-N 3.49Å; L208-Y212 WeakPolarHBondContact O-CB 3.42Å; L208-Y212 PolarHBondContact O-N 3.48Å
209T97.4Very high94Very high42 Ų4261.8 Ų61.826%0.25832%0.323SS..Hα-helixtrans-63.4-46.9175.2-58.30000111.7L187 N205 L207 L211 Y212 E213L187-T209 HydrophobicContact CD1-CG2 4.25Å; L187-T209 HydrophobicContact CD2-CG2 3.85Å; N205-T209 VanDerWaalsContact O-CB 3.29Å; N205-T209 WeakPolarHBondContact O-CB 3.35Å; N205-T209 PolarHBondContact O-N 2.71Å; N205-T209 PolarHBondContact O-OG1 3.49Å; L207-T209 VanDerWaalsContact C-N 3.25Å; L207-T209 PolarHBondContact O-N 3.04Å; T209-L211 VanDerWaalsContact C-N 3.33Å; T209-L211 PolarHBondContact O-N 3.31Å; T209-Y212 PolarHBondContact O-N 2.82Å; T209-E213 HydrophobicContact CG2-CG 4.41Å; T209-E213 WeakPolarHBondContact O-CB 3.2Å; T209-E213 WeakPolarHBondContact O-CG 3.5Å; T209-E213 PolarHBondContact O-N 3.28Å
210K96.7Very high94Very high143 Ų14359.5 Ų59.562%0.62231%0.311SS*.Hα-helixtrans-60.6-41.8176.2-74.4171.6-176.9177.90112.1D206 L207 S214D206-K210 VanDerWaalsContact O-CG 3.27Å; D206-K210 WeakPolarHBondContact O-CG 3.38Å; D206-K210 PolarHBondContact O-N 3.01Å; L207-K210 PolarHBondContact O-N 2.78Å; K210-S214 VanDerWaalsContact O-CB 3.28Å; K210-S214 WeakPolarHBondContact O-CB 3.3Å; K210-S214 PolarHBondContact O-N 2.92Å
211L97.4Very high94Very high0 Ų063.9 Ų63.90%032%0.32CS..Hα-helixtrans-64.9-45.4177.8-62.3170000111.3L117 V118 L165 I169 L207 L208 T209 S214 I215L117-L211 HydrophobicContact CB-CD2 3.89Å; V118-L211 HydrophobicContact CB-CD2 4.32Å; V118-L211 HydrophobicContact CG2-CB 4.1Å; V118-L211 HydrophobicContact CG2-CD2 3.73Å; L165-L211 HydrophobicContact CD2-CD1 3.86Å; I169-L211 HydrophobicContact CD1-CD1 4.21Å; I169-L211 HydrophobicContact CD1-CD2 4.28Å; L207-L211 HydrophobicContact CD1-CD1 4.28Å; L207-L211 HydrophobicContact CD1-CG 4.4Å; L207-L211 HydrophobicContact CG-CD1 4.11Å; L207-L211 VanDerWaalsContact O-CG 3.29Å; L207-L211 WeakPolarHBondContact O-CG 3.4Å; L207-L211 PolarHBondContact O-N 3.41Å; L208-L211 HydrophobicContact CD2-CD1 4.48Å; L208-L211 PolarHBondContact O-N 3.49Å; T209-L211 VanDerWaalsContact C-N 3.33Å; T209-L211 PolarHBondContact O-N 3.31Å; L211-S214 PolarHBondContact O-N 3.24Å; L211-I215 PolarHBondContact O-N 3.32Å; L211-I215 VanDerWaalsContact O-N 3.17Å
212Y97.2Very high93.1Very high16 Ų1659.2 Ų59.26%0.06330%0.298CS..Hα-helixtrans-61.2-51.2178.1177.3-86000112L172 L176 T185 L187 F190 L208 T209 S214 I215 R216L172-Y212 HydrophobicContact CD1-CD2 3.74Å; L172-Y212 HydrophobicContact CD1-CE2 3.7Å; L172-Y212 HydrophobicContact CD2-CD2 3.59Å; L172-Y212 HydrophobicContact CD2-CE2 4.34Å; L172-Y212 HydrophobicContact CD2-CG 4.2Å; L172-Y212 HydrophobicContact CG-CD2 4.27Å; L176-Y212 HydrophobicContact CD1-CE2 4.18Å; L176-Y212 HydrophobicContact CD2-CE2 4.35Å; T185-Y212 WeakPolarHBondContact O-CE2 3.2Å; T185-Y212 PolarHBondContact O-OH 2.83Å; L187-Y212 HydrophobicContact CB-CD1 4.01Å; L187-Y212 HydrophobicContact CB-CE1 3.94Å; L187-Y212 HydrophobicContact CB-CG 4.36Å; L187-Y212 HydrophobicContact CD1-CD1 3.95Å; L187-Y212 HydrophobicContact CD1-CD2 4.44Å; L187-Y212 HydrophobicContact CD1-CG 3.81Å; F190-Y212 HydrophobicContact CB-CD2 3.81Å; F190-Y212 HydrophobicContact CB-CE2 4.31Å; F190-Y212 HydrophobicContact CD1-CD2 4.2Å; F190-Y212 HydrophobicContact CG-CD2 4.01Å; L208-Y212 WeakPolarHBondContact O-CB 3.42Å; L208-Y212 PolarHBondContact O-N 3.48Å; T209-Y212 PolarHBondContact O-N 2.82Å; Y212-S214 VanDerWaalsContact C-N 3.31Å; Y212-S214 PolarHBondContact O-N 2.81Å; Y212-I215 PolarHBondContact O-N 3.2Å; Y212-R216 HydrophobicContact CE1-CB 4.41Å; Y212-R216 WeakPolarHBondContact O-CB 3.42Å; Y212-R216 PolarHBondContact O-N 3.17Å
213E97.6Very high92.1Very high52 Ų5255.5 Ų55.524%0.24328%0.279CS..Hα-helixtrans-65.4-35.1-179.4-70.8-61.614900111.6T209 I215 R216 N217T209-E213 HydrophobicContact CG2-CG 4.41Å; T209-E213 WeakPolarHBondContact O-CB 3.2Å; T209-E213 WeakPolarHBondContact O-CG 3.5Å; T209-E213 PolarHBondContact O-N 3.28Å; E213-I215 PolarHBondContact O-N 3.38Å; E213-R216 PolarHBondContact O-N 3.2Å; E213-R216 IonicContact OE1-NH1 3.88Å; E213-R216 PolarHBondContact OE1-NH1 3.43Å; E213-R216 WeakPolarHBondContact OE2-CD 3.42Å; E213-R216 IonicContact OE2-NH1 3.1Å; E213-R216 PolarHBondContact OE2-NH1 2.68Å; E213-N217 VanDerWaalsContact O-CB 3.3Å; E213-N217 WeakPolarHBondContact O-CB 3.41Å; E213-N217 PolarHBondContact O-N 2.82Å; E213-N217 PolarHBondContact O-ND2 3.49Å
214S97.3Very high90.4Very high23 Ų2363.8 Ų63.816%0.16132%0.318CS..Hα-helixtrans-60.7-44.4174.4-174.80000112.3V118 R122 K210 L211 Y212 E218V118-S214 VanDerWaalsContact CG1-OG 3.26Å; V118-S214 WeakPolarHBondContact CG1-OG 3.43Å; R122-S214 PolarHBondContact NH2-O 3.19Å; K210-S214 VanDerWaalsContact O-CB 3.28Å; K210-S214 WeakPolarHBondContact O-CB 3.3Å; K210-S214 PolarHBondContact O-N 2.92Å; L211-S214 PolarHBondContact O-N 3.24Å; Y212-S214 VanDerWaalsContact C-N 3.31Å; Y212-S214 PolarHBondContact O-N 2.81Å; S214-E218 PolarHBondContact O-N 2.93Å
215I94.3Very high88.5Confident0 Ų063.5 Ų63.50%031%0.312CS..Hα-helixtrans-68.6-46.2174.9-65.5-63.3000110.6V118 I169 L172 N173 L176 H177 L211 Y212 E213 N217 E218 F220V118-I215 HydrophobicContact CB-CD1 4.43Å; V118-I215 HydrophobicContact CG1-CD1 3.57Å; V118-I215 HydrophobicContact CG1-CG1 4.14Å; V118-I215 HydrophobicContact CG2-CD1 3.97Å; V118-I215 HydrophobicContact CG2-CG1 3.83Å; I169-I215 HydrophobicContact CG2-CD1 3.74Å; I169-I215 HydrophobicContact CG2-CG1 3.81Å; L172-I215 HydrophobicContact CD2-CB 4.22Å; L172-I215 HydrophobicContact CD2-CG1 4.47Å; L172-I215 HydrophobicContact CD2-CG2 4.41Å; L172-I215 HydrophobicContact CG-CG2 4.29Å; N173-I215 HydrophobicContact CB-CG2 3.91Å; L176-I215 HydrophobicContact CD1-CG2 4.18Å; H177-I215 PolarHBondContact CE1-O 3.39Å; H177-I215 PolarHBondContact NE2-O 3.4Å; L211-I215 PolarHBondContact O-N 3.32Å; L211-I215 VanDerWaalsContact O-N 3.17Å; Y212-I215 PolarHBondContact O-N 3.2Å; E213-I215 PolarHBondContact O-N 3.38Å; I215-N217 PolarHBondContact O-N 2.86Å; I215-E218 CarbonylContact O-C 3.32Å; I215-E218 VanDerWaalsContact O-C 3.24Å; I215-E218 PolarHBondContact O-N 2.67Å; I215-F220 HydrophobicContact CD1-CD2 4.24Å; I215-F220 HydrophobicContact CD1-CE1 4.05Å; I215-F220 HydrophobicContact CD1-CE2 3.63Å; I215-F220 HydrophobicContact CD1-CZ 3.53Å
216R95.8Very high86.2Confident136 Ų13663.7 Ų63.751%0.51331%0.313SS..Hα-helixtrans-55.6-40.4-179.8-175.8-172179.7-172.8-1.5112.6L176 H177 Y212 E213L176-R216 HydrophobicContact CD1-CB 3.87Å; L176-R216 HydrophobicContact CD1-CG 4.4Å; H177-R216 PolarHBondContact CE1-O 3.33Å; Y212-R216 HydrophobicContact CE1-CB 4.41Å; Y212-R216 WeakPolarHBondContact O-CB 3.42Å; Y212-R216 PolarHBondContact O-N 3.17Å; E213-R216 PolarHBondContact O-N 3.2Å; E213-R216 IonicContact OE1-NH1 3.88Å; E213-R216 PolarHBondContact OE1-NH1 3.43Å; E213-R216 WeakPolarHBondContact OE2-CD 3.42Å; E213-R216 IonicContact OE2-NH1 3.1Å; E213-R216 PolarHBondContact OE2-NH1 2.68Å
217N96.2Very high83.7Confident125 Ų12561 Ų6167%0.66831%0.314SS*.Hα-helixtrans-75-35.3-177.8-70.6-29000112.8E213 I215E213-N217 VanDerWaalsContact O-CB 3.3Å; E213-N217 WeakPolarHBondContact O-CB 3.41Å; E213-N217 PolarHBondContact O-N 2.82Å; E213-N217 PolarHBondContact O-ND2 3.49Å; I215-N217 PolarHBondContact O-N 2.86Å
218E92.5Very high81.3Confident76 Ų7665.9 Ų65.936%0.35534%0.34SS..SBendtrans-142120.1179.7-169.6-179.8-159.400110.3R122 S214 I215 K221R122-E218 VanDerWaalsContact CZ-O 3.31Å; R122-E218 PolarHBondContact NH1-O 2.79Å; R122-E218 VanDerWaalsContact NH1-O 3.12Å; R122-E218 IonicContact NH1-OE2 2.68Å; R122-E218 PolarHBondContact NH2-O 2.96Å; S214-E218 PolarHBondContact O-N 2.93Å; I215-E218 CarbonylContact O-C 3.32Å; I215-E218 VanDerWaalsContact O-C 3.24Å; I215-E218 PolarHBondContact O-N 2.67Å; E218-K221 WeakPolarHBondContact OE1-CE 3.35Å; E218-K221 IonicContact OE1-NZ 2.92Å; E218-K221 PolarHBondContact OE1-NZ 2.55Å
219P89.9Confident79.4Confident45 Ų4566.4 Ų66.429%0.29234%0.343SS..PPolyproline II helixtrans-63161.1172.626.4-33.3000111.3R122 N173 H177 K221R122-P219 PolarHBondContact NH1-O 3.03Å; N173-P219 VanDerWaalsContact OD1-CA 3.28Å; N173-P219 WeakPolarHBondContact OD1-CA 3.47Å; H177-P219 HydrophobicContact CB-CB 4.19Å; P219-K221 PolarHBondContact O-N 3.26Å
220F86.3Confident77Confident3 Ų366.1 Ų66.11%0.01334%0.34CS..PPolyproline II helixtrans-57.4129.2166.8-73.8-60000109.7L121 R122 L125 I169 I170 N173 I215L121-F220 HydrophobicContact CB-CE1 3.74Å; L121-F220 HydrophobicContact CB-CZ 3.84Å; L121-F220 HydrophobicContact CD1-CZ 4.14Å; R122-F220 HydrophobicContact CG-CD1 3.72Å; R122-F220 HydrophobicContact CG-CE1 3.78Å; L125-F220 HydrophobicContact CD1-CD1 4.26Å; L125-F220 HydrophobicContact CD1-CD2 4.48Å; L125-F220 HydrophobicContact CD1-CE1 4.33Å; L125-F220 HydrophobicContact CD1-CG 4.37Å; L125-F220 HydrophobicContact CD1-CZ 4.45Å; I169-F220 HydrophobicContact CG2-CE2 4.02Å; I169-F220 HydrophobicContact CG2-CZ 3.76Å; I170-F220 HydrophobicContact CG1-CE2 4.22Å; N173-F220 HydrophobicContact CB-CD2 3.69Å; N173-F220 HydrophobicContact CB-CE2 4.03Å; N173-F220 PolarHBondContact OD1-N 3Å; I215-F220 HydrophobicContact CD1-CD2 4.24Å; I215-F220 HydrophobicContact CD1-CE1 4.05Å; I215-F220 HydrophobicContact CD1-CE2 3.63Å; I215-F220 HydrophobicContact CD1-CZ 3.53Å
221K82.6Confident74.6Confident126 Ų12659.4 Ų59.455%0.54831%0.31SS..PPolyproline II helixtrans-91.2131169.1-69.6178.2178.6152.90107.4W126 E218 P219W126-K221 HydrophobicContact CE3-CB 4.21Å; W126-K221 HydrophobicContact CZ3-CB 3.93Å; E218-K221 WeakPolarHBondContact OE1-CE 3.35Å; E218-K221 IonicContact OE1-NZ 2.92Å; E218-K221 PolarHBondContact OE1-NZ 2.55Å; P219-K221 PolarHBondContact O-N 3.26Å
222I71.4Confident72Confident20 Ų2063.1 Ų63.110%0.10333%0.328CS..  trans-124.2131.4179.6-42.2-132000109R129 E224 D229 T231R129-I222 VanDerWaalsContact CZ-CB 3.48Å; R129-I222 VanDerWaalsContact NE-CG2 3.29Å; R129-I222 VanDerWaalsContact NH1-CB 3.3Å; R129-I222 PolarHBondContact NH2-O 3.37Å; R129-I222 VanDerWaalsContact NH2-O 3.11Å; I222-E224 PolarHBondContact O-N 3.45Å; I222-D229 VanDerWaalsContact CB-OD2 3.29Å; I222-D229 WeakPolarHBondContact CB-OD2 3.33Å; I222-D229 WeakPolarHBondContact CD1-OD1 3.35Å; I222-D229 VanDerWaalsContact CG1-OD2 3.23Å; I222-D229 WeakPolarHBondContact CG1-OD2 3.48Å; I222-T231 HydrophobicContact CD1-CG2 3.17Å; I222-T231 WeakPolarHBondContact CD1-OG1 3.32Å; I222-T231 HydrophobicContact CG1-CG2 4.38Å; I222-T231 VanDerWaalsContact CG1-OG1 3.31Å; I222-T231 WeakPolarHBondContact CG1-OG1 3.47Å
223P71.3Confident69.6Low15 Ų1564.8 Ų64.810%0.09734%0.34CS..  trans-55.4120.2-177.821.5-37000111.8K85 W126 R129 D225K85-P223 HydrophobicContact CB-CB 4.48Å; K85-P223 HydrophobicContact CB-CG 4.05Å; K85-P223 HydrophobicContact CG-CB 3.8Å; K85-P223 HydrophobicContact CG-CG 3.7Å; W126-P223 WeakPolarHBondContact O-CG 3.47Å; R129-P223 PolarHBondContact NE-O 2.83Å; R129-P223 VanDerWaalsContact NH2-C 3.3Å; R129-P223 PolarHBondContact NH2-O 3.03Å; P223-D225 PolarHBondContact O-N 3.28Å
224E58.5Low67Low179 Ų17964.7 Ų64.784%0.83634%0.338SS*.  trans-65.9126.8-179.5-63.7-179.6177.600110.8I222I222-E224 PolarHBondContact O-N 3.45Å
225D54.7Low64.5Low76 Ų7665.7 Ų65.741%0.40634%0.34SS..SBendtrans-135.7-32166.6-95.7-38000111.4N84 K85 P223N84-D225 WeakPolarHBondContact CA-OD2 3.25Å; N84-D225 PolarHBondContact ND2-OD2 3.45Å; K85-D225 PolarHBondContact N-OD2 3.33Å; P223-D225 PolarHBondContact O-N 3.28Å
226D45.4Very low62.2Low99 Ų9970 Ų7053%0.52936%0.363SS..SBendtrans-158.45.1-179.152.310.2000116.8N228D226-N228 VanDerWaalsContact C-N 3.34Å; D226-N228 PolarHBondContact O-N 3.4Å
227G43Very low60.2Low65 Ų6565.3 Ų65.367%0.6735%0.35SS*.SBendtrans79.42.2172.400000116.6D229G227-D229 PolarHBondContact O-N 2.92Å
228N45.8Very low58.6Low139 Ų13963.5 Ų63.574%0.74334%0.341SS*.  trans-96.272.4174.7-77.1-14.6000111.1D226D226-N228 VanDerWaalsContact C-N 3.34Å; D226-N228 PolarHBondContact O-N 3.4Å
229D55.7Low58Low14 Ų1462 Ų628%0.07533%0.331CS..  trans-89.6120.8-171.1-172.3-17.7000114.4R129 I222 G227 T231 H232 T233R129-D229 IonicContact CZ-OD2 3.52Å; R129-D229 IonicContact NH1-OD1 3.76Å; R129-D229 PolarHBondContact NH1-OD1 3.43Å; R129-D229 VanDerWaalsContact NH1-OD1 3.09Å; R129-D229 IonicContact NH1-OD2 2.77Å; R129-D229 PolarHBondContact NH1-OD2 3.13Å; R129-D229 IonicContact NH2-OD2 3.51Å; I222-D229 VanDerWaalsContact CB-OD2 3.29Å; I222-D229 WeakPolarHBondContact CB-OD2 3.33Å; I222-D229 WeakPolarHBondContact CD1-OD1 3.35Å; I222-D229 VanDerWaalsContact CG1-OD2 3.23Å; I222-D229 WeakPolarHBondContact CG1-OD2 3.48Å; G227-D229 PolarHBondContact O-N 2.92Å; D229-T231 VanDerWaalsContact C-N 3.27Å; D229-T231 PolarHBondContact O-N 2.88Å; D229-T231 PolarHBondContact OD1-N 3.23Å; D229-T231 PolarHBondContact OD1-OG1 2.87Å; D229-T231 PolarHBondContact OD2-OG1 3.45Å; D229-H232 HydrophobicContact CB-CB 4.28Å; D229-H232 PolarHBondContact O-N 3.31Å; D229-H232 IonicContact OD2-CD2 2.7Å; D229-H232 PolarHBondContact OD2-CD2 2.88Å; D229-T233 VanDerWaalsContact O-CA 3.28Å; D229-T233 WeakPolarHBondContact O-CA 3.14Å; D229-T233 WeakPolarHBondContact O-CB 3.32Å; D229-T233 PolarHBondContact O-N 3.32Å; D229-T233 PolarHBondContact O-OG1 3.34Å
230L47.7Very low57.9Low37 Ų3764.6 Ų64.619%0.19434%0.34CS..THydrogen-bonded Turntrans-59.9-22.5174.2-79.4157.6000116.4L130 P131 T233 F234L130-L230 VanDerWaalsContact C-CD1 3.46Å; L130-L230 HydrophobicContact CB-CD1 3.47Å; L130-L230 VanDerWaalsContact CB-CD1 3.47Å; L130-L230 WeakPolarHBondContact O-CD1 3.21Å; P131-L230 VanDerWaalsContact O-CD1 3.3Å; P131-L230 WeakPolarHBondContact O-CD1 3.07Å; L230-T233 CarbonylContact C-O 3.35Å; L230-T233 VanDerWaalsContact CA-O 3.3Å; L230-T233 WeakPolarHBondContact CA-O 3.31Å; L230-T233 CarbonylContact O-C 3.24Å; L230-F234 PolarHBondContact O-N 3.41Å; L230-F234 VanDerWaalsContact O-N 3.14Å
231T47Very low57.9Low1 Ų164.8 Ų64.81%0.00634%0.343CS..THydrogen-bonded Turntrans-91-25.2-17864.60000114.5L125 I170 N173 T174 I222 D229L125-T231 HydrophobicContact CD1-CG2 4.48Å; I170-T231 HydrophobicContact CG2-CG2 4.22Å; N173-T231 PolarHBondContact ND2-O 3.34Å; T174-T231 PolarHBondContact OG1-O 2.68Å; I222-T231 HydrophobicContact CD1-CG2 3.17Å; I222-T231 WeakPolarHBondContact CD1-OG1 3.32Å; I222-T231 HydrophobicContact CG1-CG2 4.38Å; I222-T231 VanDerWaalsContact CG1-OG1 3.31Å; I222-T231 WeakPolarHBondContact CG1-OG1 3.47Å; D229-T231 VanDerWaalsContact C-N 3.27Å; D229-T231 PolarHBondContact O-N 2.88Å; D229-T231 PolarHBondContact OD1-N 3.23Å; D229-T231 PolarHBondContact OD1-OG1 2.87Å; D229-T231 PolarHBondContact OD2-OG1 3.45Å
232H42.4Very low58.4Low79 Ų7962.1 Ų62.137%0.36633%0.329SS..THydrogen-bonded Turntrans-84.9-26.2163.8-72.6-68.7000111.2N178 D229N178-H232 PolarHBondContact ND2-O 3.4Å; D229-H232 HydrophobicContact CB-CB 4.28Å; D229-H232 PolarHBondContact O-N 3.31Å; D229-H232 IonicContact OD2-CD2 2.7Å; D229-H232 PolarHBondContact OD2-CD2 2.88Å
233T45.5Very low59.7Low51 Ų5161.4 Ų61.431%0.31333%0.326SS..  trans-130.275.9-171.3-11.30000107.6D229 L230 F235D229-T233 VanDerWaalsContact O-CA 3.28Å; D229-T233 WeakPolarHBondContact O-CA 3.14Å; D229-T233 WeakPolarHBondContact O-CB 3.32Å; D229-T233 PolarHBondContact O-N 3.32Å; D229-T233 PolarHBondContact O-OG1 3.34Å; L230-T233 CarbonylContact C-O 3.35Å; L230-T233 VanDerWaalsContact CA-O 3.3Å; L230-T233 WeakPolarHBondContact CA-O 3.31Å; L230-T233 CarbonylContact O-C 3.24Å; T233-F235 HydrophobicContact CG2-CB 3.86Å; T233-F235 HydrophobicContact CG2-CD2 4.02Å; T233-F235 HydrophobicContact CG2-CG 4.44Å; T233-F235 PolarHBondContact O-N 2.88Å
234F43.1Very low60.9Low49 Ų4963.1 Ų63.122%0.21533%0.334CS..  trans-54.4-4.4155.3-104.3-74.9000112.2I170 M171 T174 L230 N236 F356I170-F234 HydrophobicContact CB-CE2 4.14Å; I170-F234 HydrophobicContact CB-CZ 4.17Å; I170-F234 HydrophobicContact CG2-CE2 3.45Å; I170-F234 VanDerWaalsContact CG2-CE2 3.45Å; I170-F234 HydrophobicContact CG2-CZ 3.65Å; M171-F234 HydrophobicContact CB-CE2 4.39Å; M171-F234 HydrophobicContact CG-CE2 3.85Å; M171-F234 HydrophobicContact CG-CZ 3.82Å; T174-F234 WeakPolarHBondContact OG1-CD2 3.47Å; L230-F234 PolarHBondContact O-N 3.41Å; L230-F234 VanDerWaalsContact O-N 3.14Å; F234-N236 PolarHBondContact O-N 2.87Å; F234-F356 HydrophobicContact CE1-CD1 4.49Å; F234-F356 AromaticContact CE1-CE1 3.7Å; F234-F356 HydrophobicContact CE1-CE1 3.7Å; F234-F356 HydrophobicContact CE1-CZ 4.18Å; F234-F356 HydrophobicContact CZ-CE1 4.45Å
235F44.6Very low62.7Low45 Ų4555.2 Ų55.220%0.19730%0.296CS..  trans-86.581.6169.2-45.7-81.1000112T233 T261 D262 Y266T233-F235 HydrophobicContact CG2-CB 3.86Å; T233-F235 HydrophobicContact CG2-CD2 4.02Å; T233-F235 HydrophobicContact CG2-CG 4.44Å; T233-F235 PolarHBondContact O-N 2.88Å; F235-T261 WeakPolarHBondContact CA-OG1 3.25Å; F235-T261 HydrophobicContact CB-CG2 3.8Å; F235-T261 VanDerWaalsContact CB-OG1 3.25Å; F235-T261 WeakPolarHBondContact CB-OG1 3.19Å; F235-T261 HydrophobicContact CD1-CG2 3.23Å; F235-T261 VanDerWaalsContact CD1-OG1 3.27Å; F235-T261 WeakPolarHBondContact CD1-OG1 3.42Å; F235-T261 HydrophobicContact CE1-CG2 4.01Å; F235-T261 HydrophobicContact CG-CG2 3.87Å; F235-D262 HydrophobicContact CD1-CB 3.91Å; F235-D262 WeakPolarHBondContact CD1-OD2 3.38Å; F235-D262 HydrophobicContact CE1-CB 3.59Å; F235-D262 WeakPolarHBondContact CE1-OD2 3.36Å; F235-D262 WeakPolarHBondContact CZ-OD2 3.43Å; F235-Y266 HydrophobicContact CE1-CE2 4.22Å; F235-Y266 WeakPolarHBondContact CE1-OH 3.27Å
236N46.3Very low64.6Low89 Ų8952 Ų5248%0.47628%0.279SS..  trans-76.2118.3143.5-173.417.2000105.4G132 F234 D238 T261G132-N236 PolarHBondContact O-ND2 3.41Å; F234-N236 PolarHBondContact O-N 2.87Å; N236-D238 PolarHBondContact O-N 3.03Å; N236-D238 VanDerWaalsContact O-N 3.16Å; N236-T261 PolarHBondContact O-OG1 3.38Å
237P55.1Low66.8Low38 Ų3848 Ų4825%0.24726%0.261CS..  trans-64.9122.8-178.523.9-30.9000111.1R239 E240 I259 L260P237-R239 PolarHBondContact O-N 3.46Å; P237-R239 VanDerWaalsContact O-N 3.09Å; P237-E240 HydrophobicContact CG-CG 4.41Å; P237-I259 HydrophobicContact CB-CG2 3.66Å; P237-I259 HydrophobicContact CG-CG2 4.41Å; P237-L260 CarbonylContact C-O 3.13Å; P237-L260 VanDerWaalsContact CA-O 3.28Å; P237-L260 WeakPolarHBondContact CA-O 3.42Å
238D62.7Low68.8Low88 Ų8845.4 Ų45.447%0.47124%0.235SC..SBendtrans-49.8-34.5166.2-64.1-32.3000109.8N236 L260 S350N236-D238 PolarHBondContact O-N 3.03Å; N236-D238 VanDerWaalsContact O-N 3.16Å; D238-L260 HydrophobicContact CB-CD2 3.94Å; D238-L260 HydrophobicContact CB-CG 3.99Å; D238-L260 PolarHBondContact N-O 3.06Å; D238-S350 WeakPolarHBondContact OD2-CB 3.4Å; D238-S350 PolarHBondContact OD2-OG 2.81Å
239R79.9Confident70.6Confident43 Ų4348.8 Ų48.816%0.16224%0.237CC..EExtended strand (participates in β ladder)trans-160.5147.8170.4-167.7163-172.9-150.5-5.9113.5P237 L260 E339 S342 W343 A346P237-R239 PolarHBondContact O-N 3.46Å; P237-R239 VanDerWaalsContact O-N 3.09Å; R239-L260 HydrophobicContact CB-CB 4.35Å; R239-L260 HydrophobicContact CB-CD2 4.44Å; R239-L260 PolarHBondContact N-O 3.38Å; R239-L260 PolarHBondContact O-N 2.74Å; R239-E339 PolarHBondContact NH1-O 2.9Å; R239-E339 VanDerWaalsContact NH2-CG 3.31Å; R239-E339 PolarHBondContact NH2-O 3.25Å; R239-S342 PolarHBondContact NH1-O 2.88Å; R239-S342 PolarHBondContact NH1-OG 3.09Å; R239-S342 VanDerWaalsContact NH1-OG 3.09Å; R239-W343 HydrophobicContact CB-CE3 4.35Å; R239-W343 HydrophobicContact CB-CH2 4.12Å; R239-W343 HydrophobicContact CB-CZ3 3.93Å; R239-W343 HydrophobicContact CG-CD2 4.32Å; R239-W343 HydrophobicContact CG-CE3 4.21Å; R239-W343 HydrophobicContact CG-CH2 3.84Å; R239-W343 HydrophobicContact CG-CZ2 3.94Å; R239-W343 HydrophobicContact CG-CZ3 3.98Å; R239-W343 VanDerWaalsContact CZ-CD1 3.42Å; R239-W343 VanDerWaalsContact NH1-CB 3.3Å; R239-A346 HydrophobicContact CB-CB 4.07Å
240E86.6Confident72Confident101 Ų10152.9 Ų52.947%0.47226%0.263SS..EExtended strand (participates in β ladder)trans-134.6157.9166.759.4175.9-149.400112.8P237 W257 F258 I259P237-E240 HydrophobicContact CG-CG 4.41Å; E240-W257 HydrophobicContact CB-CH2 4.45Å; E240-W257 HydrophobicContact CB-CZ2 3.71Å; E240-W257 VanDerWaalsContact CD-CZ2 3.47Å; E240-W257 HydrophobicContact CG-CH2 4.29Å; E240-W257 HydrophobicContact CG-CZ2 3.67Å; E240-F258 CarbonylContact C-O 3.5Å; E240-F258 WeakPolarHBondContact CA-O 3.37Å; E240-F258 WeakPolarHBondContact CB-O 3.41Å; E240-I259 HydrophobicContact CB-CG1 4.17Å
241G85.8Confident74Confident7 Ų757.3 Ų57.37%0.07228%0.28CS..EExtended strand (participates in β ladder)trans163.9167.2-177.500000115W257 F258G241-W257 VanDerWaalsContact C-CZ3 3.5Å; G241-F258 PolarHBondContact N-O 3Å; G241-F258 PolarHBondContact O-N 3.39Å
242W94.8Very high76.2Confident69 Ų6960.5 Ų60.526%0.26130%0.3SS..EExtended strand (participates in β ladder)trans-86.4122.7179-76.8106.3000111.9R255 R256 W257 T271W242-R255 HydrophobicContact CE3-CG 3.67Å; W242-R255 VanDerWaalsContact CE3-NH1 3.28Å; W242-R255 HydrophobicContact CZ3-CG 4.13Å; W242-R256 VanDerWaalsContact CZ3-C 3.48Å; W242-W257 HydrophobicContact CB-CE3 4.43Å; W242-W257 AromaticContact CD1-CE3 3.46Å; W242-W257 VanDerWaalsContact CD1-CE3 3.46Å; W242-W257 AromaticContact CD1-CZ3 3.44Å; W242-W257 VanDerWaalsContact CD1-CZ3 3.44Å; W242-W257 HydrophobicContact CD2-CB 4.4Å; W242-W257 AromaticContact CD2-CE3 3.77Å; W242-W257 HydrophobicContact CD2-CE3 3.77Å; W242-W257 AromaticContact CE2-CE3 3.7Å; W242-W257 HydrophobicContact CE3-CB 4.18Å; W242-W257 AromaticContact CG-CE3 3.66Å; W242-W257 HydrophobicContact CG-CE3 3.66Å; W242-W257 HydrophobicContact CG-CZ3 4.01Å; W242-W257 HydrophobicContact CH2-CB 4.14Å; W242-W257 HydrophobicContact CZ2-CB 4.35Å; W242-W257 HydrophobicContact CZ2-CE3 4.47Å; W242-W257 HydrophobicContact CZ3-CB 4.05Å; W242-W257 VanDerWaalsContact CZ3-N 3.29Å; W242-W257 AromaticContact NE1-CE3 3.46Å; W242-W257 AromaticContact NE1-CZ3 3.64Å; W242-T271 HydrophobicContact CZ2-CG2 3.74Å
243L97.2Very high78.7Confident5 Ų559.7 Ų59.73%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-128.2160.3174.2-59.8171.6000112.3R255 R256 F258 I332 A334 W343L243-R255 WeakPolarHBondContact O-CA 3.42Å; L243-R256 PolarHBondContact N-O 2.81Å; L243-R256 PolarHBondContact O-N 2.83Å; L243-F258 HydrophobicContact CB-CD2 3.56Å; L243-F258 HydrophobicContact CB-CE2 3.69Å; L243-F258 HydrophobicContact CB-CG 4.4Å; L243-F258 HydrophobicContact CD1-CB 4.2Å; L243-F258 HydrophobicContact CD1-CD2 3.98Å; L243-F258 HydrophobicContact CD1-CE2 4.46Å; L243-F258 HydrophobicContact CD1-CG 3.99Å; L243-F258 HydrophobicContact CG-CD2 4.07Å; L243-F258 HydrophobicContact CG-CG 4.48Å; L243-I332 HydrophobicContact CB-CG2 3.62Å; L243-I332 HydrophobicContact CD1-CG2 3.56Å; L243-I332 HydrophobicContact CD2-CG2 4.5Å; L243-I332 HydrophobicContact CG-CG2 4.1Å; L243-A334 HydrophobicContact CD2-CB 3.7Å; L243-W343 HydrophobicContact CD1-CD2 3.81Å; L243-W343 HydrophobicContact CD1-CE3 4.35Å; L243-W343 HydrophobicContact CD1-CG 4.08Å; L243-W343 HydrophobicContact CD1-CZ2 3.99Å; L243-W343 HydrophobicContact CD2-CG 4.48Å; L243-W343 HydrophobicContact CG-CZ2 4.35Å
244L97.1Very high81.1Confident51 Ų5162.3 Ų62.327%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-96.4127168.6-73172.2000109.5W253 K254 R255 I332 C333L244-W253 HydrophobicContact CB-CE3 3.93Å; L244-W253 HydrophobicContact CB-CZ3 4.33Å; L244-K254 WeakPolarHBondContact CA-O 3.2Å; L244-R255 HydrophobicContact CD2-CB 3.85Å; L244-R255 HydrophobicContact CD2-CG 4.47Å; L244-I332 CarbonylContact O-C 3.5Å; L244-I332 VanDerWaalsContact O-CA 3.25Å; L244-I332 WeakPolarHBondContact O-CA 3.48Å; L244-I332 WeakPolarHBondContact O-CG2 3.48Å; L244-C333 PolarHBondContact N-O 3Å; L244-C333 PolarHBondContact O-N 3.3Å
245K96Very high83.6Confident13 Ų1366.3 Ų66.36%0.05731%0.314CS..EExtended strand (participates in β ladder)trans-116.6145.4175.167.4173-55.8-55.50112.7W253 K254 R256 F258 Y267 I332K245-W253 VanDerWaalsContact C-CE3 3.44Å; K245-W253 WeakPolarHBondContact O-CA 3.47Å; K245-K254 HydrophobicContact CG-CB 4.45Å; K245-K254 PolarHBondContact N-O 3.32Å; K245-K254 PolarHBondContact O-N 2.81Å; K245-R256 HydrophobicContact CD-CG 3.99Å; K245-R256 HydrophobicContact CG-CG 4.22Å; K245-F258 HydrophobicContact CB-CE2 4.36Å; K245-F258 HydrophobicContact CB-CZ 3.93Å; K245-F258 HydrophobicContact CD-CE2 4.49Å; K245-F258 HydrophobicContact CD-CZ 3.93Å; K245-F258 HydrophobicContact CG-CZ 4.26Å; K245-Y267 HydrophobicContact CD-CD1 4.33Å; K245-Y267 HydrophobicContact CD-CD2 3.9Å; K245-Y267 HydrophobicContact CD-CE1 4.37Å; K245-Y267 HydrophobicContact CD-CE2 3.97Å; K245-Y267 HydrophobicContact CD-CG 4.1Å; K245-I332 HydrophobicContact CB-CG1 4.4Å
246L95.1Very high86.1Confident9 Ų965.4 Ų65.45%0.04731%0.31CS..EExtended strand (participates in β ladder)trans-83.4139.5172.8-167.361.2000111.1K251 W253 Y292 H327 T331L246-K251 HydrophobicContact CD1-CB 4.08Å; L246-K251 HydrophobicContact CD2-CD 4.04Å; L246-K251 HydrophobicContact CG-CD 4.1Å; L246-W253 HydrophobicContact CB-CE3 4.3Å; L246-W253 HydrophobicContact CB-CH2 3.98Å; L246-W253 HydrophobicContact CB-CZ2 4.25Å; L246-W253 HydrophobicContact CB-CZ3 4.02Å; L246-W253 HydrophobicContact CD1-CD2 4.09Å; L246-W253 HydrophobicContact CD1-CG 4.39Å; L246-W253 HydrophobicContact CD1-CZ2 4.08Å; L246-Y292 HydrophobicContact CD2-CE2 3.86Å; L246-Y292 WeakPolarHBondContact CD2-OH 3.44Å; L246-H327 PolarHBondContact O-NE2 3Å; L246-H327 VanDerWaalsContact O-NE2 3.14Å; L246-T331 PolarHBondContact N-O 3.01Å
247G91.4Very high88.1Confident14 Ų1463.1 Ų63.114%0.14429%0.294CS..  trans-68.6157.1172.600000112.9V250 K251 T252G247-V250 CarbonylContact C-O 3.57Å; G247-V250 WeakPolarHBondContact CA-O 3.32Å; G247-K251 VanDerWaalsContact O-CD 3.24Å; G247-K251 WeakPolarHBondContact O-CD 3.32Å; G247-K251 PolarHBondContact O-NZ 3.37Å; G247-T252 PolarHBondContact N-O 3.48Å
248G86.1Confident89.9Confident12 Ų1261.3 Ų61.312%0.12428%0.283CS..SBendtrans-78.8-78.9-173.900000111.5K251 H327G248-K251 WeakPolarHBondContact O-CD 3.26Å; G248-K251 VanDerWaalsContact O-CE 3.27Å; G248-K251 WeakPolarHBondContact O-CE 3.37Å; G248-K251 PolarHBondContact O-NZ 2.95Å; G248-H327 WeakPolarHBondContact CA-CE1 3.2Å; G248-H327 VanDerWaalsContact CA-NE2 3.31Å; G248-H327 WeakPolarHBondContact CA-NE2 3.29Å; G248-H327 PolarHBondContact N-CE1 2.97Å; G248-H327 PolarHBondContact N-NE2 3.07Å; G248-H327 VanDerWaalsContact N-NE2 3.11Å
249R81.8Confident90.9Very high210 Ų21058.7 Ų58.779%0.79227%0.268SS*.SBendtrans-69.1-45.6176.4-171.6-178.9-174-176.54.3112.3
250V86.8Confident91.1Very high100 Ų10056.7 Ų56.761%0.60626%0.261SS*.SBendtrans-104.5115.8177.5-1750000107.8G247 T252G247-V250 CarbonylContact C-O 3.57Å; G247-V250 WeakPolarHBondContact CA-O 3.32Å; V250-T252 HydrophobicContact CG1-CG2 3.98Å; V250-T252 PolarHBondContact O-N 2.98Å
251K89.9Confident90.4Very high129 Ų12952 Ų5256%0.56124%0.239SC*.  trans-79.167.2-174.1-60.9-51.6-167.3-174.60112L246 G247 G248L246-K251 HydrophobicContact CD1-CB 4.08Å; L246-K251 HydrophobicContact CD2-CD 4.04Å; L246-K251 HydrophobicContact CG-CD 4.1Å; G247-K251 VanDerWaalsContact O-CD 3.24Å; G247-K251 WeakPolarHBondContact O-CD 3.32Å; G247-K251 PolarHBondContact O-NZ 3.37Å; G248-K251 WeakPolarHBondContact O-CD 3.26Å; G248-K251 VanDerWaalsContact O-CE 3.27Å; G248-K251 WeakPolarHBondContact O-CE 3.37Å; G248-K251 PolarHBondContact O-NZ 2.95Å
252T92.8Very high89.5Confident68 Ų6855 Ų5542%0.41725%0.253SS..  trans-108.9144.1174.350.90000110.9G247 V250G247-T252 PolarHBondContact N-O 3.48Å; V250-T252 HydrophobicContact CG1-CG2 3.98Å; V250-T252 PolarHBondContact O-N 2.98Å
253W94.4Very high88.7Confident62 Ų6254 Ų5424%0.23525%0.253CS..EExtended strand (participates in β ladder)trans-84.4135.5175.3-71.4100.1000110.7L244 K245 L246 Y292 K295 T331 C333L244-W253 HydrophobicContact CB-CE3 3.93Å; L244-W253 HydrophobicContact CB-CZ3 4.33Å; K245-W253 VanDerWaalsContact C-CE3 3.44Å; K245-W253 WeakPolarHBondContact O-CA 3.47Å; L246-W253 HydrophobicContact CB-CE3 4.3Å; L246-W253 HydrophobicContact CB-CH2 3.98Å; L246-W253 HydrophobicContact CB-CZ2 4.25Å; L246-W253 HydrophobicContact CB-CZ3 4.02Å; L246-W253 HydrophobicContact CD1-CD2 4.09Å; L246-W253 HydrophobicContact CD1-CG 4.39Å; L246-W253 HydrophobicContact CD1-CZ2 4.08Å; W253-Y292 AromaticContact CZ2-CD1 3.79Å; W253-Y292 HydrophobicContact CZ2-CD1 3.79Å; W253-Y292 HydrophobicContact CZ2-CD2 4.4Å; W253-Y292 AromaticContact CZ2-CE1 3.64Å; W253-Y292 HydrophobicContact CZ2-CE1 3.64Å; W253-Y292 HydrophobicContact CZ2-CE2 4.24Å; W253-Y292 HydrophobicContact CZ2-CG 4.18Å; W253-Y292 AromaticContact CZ2-CZ 3.86Å; W253-K295 HydrophobicContact CZ2-CB 4.36Å; W253-K295 HydrophobicContact CZ2-CG 3.88Å; W253-T331 HydrophobicContact CH2-CG2 4.05Å; W253-C333 WeakPolarHBondContact CH2-SG 3.15Å; W253-C333 HydrophobicContact CZ3-CB 4.4Å; W253-C333 VanDerWaalsContact CZ3-SG 3.56Å
254K95Very high88.1Confident106 Ų10654.9 Ų54.946%0.46126%0.259SS..EExtended strand (participates in β ladder)trans-133.3130.8176.8-62.2-66.2179179.50109.9L244 K245 R256L244-K254 WeakPolarHBondContact CA-O 3.2Å; K245-K254 HydrophobicContact CG-CB 4.45Å; K245-K254 PolarHBondContact N-O 3.32Å; K245-K254 PolarHBondContact O-N 2.81Å; K254-R256 HydrophobicContact CB-CG 4.47Å
255R96Very high87.8Confident134 Ų13452.5 Ų52.551%0.50625%0.247SC..EExtended strand (participates in β ladder)trans-78.8128.1170.7-170.4174-177-97.56108.6W242 L243 L244W242-R255 HydrophobicContact CE3-CG 3.67Å; W242-R255 VanDerWaalsContact CE3-NH1 3.28Å; W242-R255 HydrophobicContact CZ3-CG 4.13Å; L243-R255 WeakPolarHBondContact O-CA 3.42Å; L244-R255 HydrophobicContact CD2-CB 3.85Å; L244-R255 HydrophobicContact CD2-CG 4.47Å
256R96.8Very high87.4Confident26 Ų2653.6 Ų53.610%0.09825%0.251CS..EExtended strand (participates in β ladder)trans-140.9146.4-178-63.5-66.6177.5-117.824.2109.5W242 L243 K245 K254 F258 Y267 F268 E269W242-R256 VanDerWaalsContact CZ3-C 3.48Å; L243-R256 PolarHBondContact N-O 2.81Å; L243-R256 PolarHBondContact O-N 2.83Å; K245-R256 HydrophobicContact CD-CG 3.99Å; K245-R256 HydrophobicContact CG-CG 4.22Å; K254-R256 HydrophobicContact CB-CG 4.47Å; R256-F258 HydrophobicContact CB-CD2 4.14Å; R256-F258 HydrophobicContact CB-CE2 3.76Å; R256-F258 WeakPolarHBondContact O-CD2 3.4Å; R256-Y267 HydrophobicContact CB-CD2 4.29Å; R256-Y267 HydrophobicContact CG-CD2 3.93Å; R256-F268 VanDerWaalsContact CA-O 3.28Å; R256-F268 WeakPolarHBondContact CA-O 3.47Å; R256-F268 VanDerWaalsContact CB-O 3.31Å; R256-F268 WeakPolarHBondContact CB-O 3.08Å; R256-F268 WeakPolarHBondContact CD-O 3.41Å; R256-E269 IonicContact CZ-OE1 3.68Å; R256-E269 IonicContact NH1-OE1 3.48Å; R256-E269 PolarHBondContact NH1-OE1 3.23Å; R256-E269 IonicContact NH2-OE1 3.27Å; R256-E269 PolarHBondContact NH2-OE1 3.38Å
257W89.6Confident87.2Confident41 Ų4153.7 Ų53.716%0.15525%0.251CS..EExtended strand (participates in β ladder)trans-80120.4170.1-179.5-109.9000107.4E240 G241 W242 Y267 F268 T271E240-W257 HydrophobicContact CB-CH2 4.45Å; E240-W257 HydrophobicContact CB-CZ2 3.71Å; E240-W257 VanDerWaalsContact CD-CZ2 3.47Å; E240-W257 HydrophobicContact CG-CH2 4.29Å; E240-W257 HydrophobicContact CG-CZ2 3.67Å; G241-W257 VanDerWaalsContact C-CZ3 3.5Å; W242-W257 HydrophobicContact CB-CE3 4.43Å; W242-W257 AromaticContact CD1-CE3 3.46Å; W242-W257 VanDerWaalsContact CD1-CE3 3.46Å; W242-W257 AromaticContact CD1-CZ3 3.44Å; W242-W257 VanDerWaalsContact CD1-CZ3 3.44Å; W242-W257 HydrophobicContact CD2-CB 4.4Å; W242-W257 AromaticContact CD2-CE3 3.77Å; W242-W257 HydrophobicContact CD2-CE3 3.77Å; W242-W257 AromaticContact CE2-CE3 3.7Å; W242-W257 HydrophobicContact CE3-CB 4.18Å; W242-W257 AromaticContact CG-CE3 3.66Å; W242-W257 HydrophobicContact CG-CE3 3.66Å; W242-W257 HydrophobicContact CG-CZ3 4.01Å; W242-W257 HydrophobicContact CH2-CB 4.14Å; W242-W257 HydrophobicContact CZ2-CB 4.35Å; W242-W257 HydrophobicContact CZ2-CE3 4.47Å; W242-W257 HydrophobicContact CZ3-CB 4.05Å; W242-W257 VanDerWaalsContact CZ3-N 3.29Å; W242-W257 AromaticContact NE1-CE3 3.46Å; W242-W257 AromaticContact NE1-CZ3 3.64Å; W257-Y267 CarbonylContact O-C 3.55Å; W257-Y267 VanDerWaalsContact O-CA 3.24Å; W257-Y267 WeakPolarHBondContact O-CA 3.49Å; W257-F268 HydrophobicContact CB-CB 4.36Å; W257-F268 PolarHBondContact N-O 2.92Å; W257-F268 PolarHBondContact O-N 3.08Å; W257-T271 HydrophobicContact CB-CG2 4.17Å; W257-T271 HydrophobicContact CD2-CG2 3.59Å; W257-T271 HydrophobicContact CE3-CG2 3.84Å; W257-T271 HydrophobicContact CG-CG2 3.75Å; W257-T271 HydrophobicContact CZ2-CG2 4.48Å; W257-T271 HydrophobicContact CZ3-CG2 4.39Å
258F93.4Very high87.1Confident0 Ų054.1 Ų54.10%025%0.249CC..EExtended strand (participates in β ladder)trans-101.4142.2-179.2-82.1-98.9000110E240 G241 L243 K245 R256 L265 Y266 Y267 I332 W343E240-F258 CarbonylContact C-O 3.5Å; E240-F258 WeakPolarHBondContact CA-O 3.37Å; E240-F258 WeakPolarHBondContact CB-O 3.41Å; G241-F258 PolarHBondContact N-O 3Å; G241-F258 PolarHBondContact O-N 3.39Å; L243-F258 HydrophobicContact CB-CD2 3.56Å; L243-F258 HydrophobicContact CB-CE2 3.69Å; L243-F258 HydrophobicContact CB-CG 4.4Å; L243-F258 HydrophobicContact CD1-CB 4.2Å; L243-F258 HydrophobicContact CD1-CD2 3.98Å; L243-F258 HydrophobicContact CD1-CE2 4.46Å; L243-F258 HydrophobicContact CD1-CG 3.99Å; L243-F258 HydrophobicContact CG-CD2 4.07Å; L243-F258 HydrophobicContact CG-CG 4.48Å; K245-F258 HydrophobicContact CB-CE2 4.36Å; K245-F258 HydrophobicContact CB-CZ 3.93Å; K245-F258 HydrophobicContact CD-CE2 4.49Å; K245-F258 HydrophobicContact CD-CZ 3.93Å; K245-F258 HydrophobicContact CG-CZ 4.26Å; R256-F258 HydrophobicContact CB-CD2 4.14Å; R256-F258 HydrophobicContact CB-CE2 3.76Å; R256-F258 WeakPolarHBondContact O-CD2 3.4Å; F258-L265 HydrophobicContact CB-CD1 4.44Å; F258-L265 HydrophobicContact CD1-CD1 3.78Å; F258-L265 HydrophobicContact CD1-CD2 3.77Å; F258-L265 HydrophobicContact CD1-CG 3.63Å; F258-L265 HydrophobicContact CE1-CD2 3.8Å; F258-L265 HydrophobicContact CE1-CG 4.03Å; F258-Y266 VanDerWaalsContact CA-O 3.29Å; F258-Y266 WeakPolarHBondContact CA-O 3.45Å; F258-Y267 HydrophobicContact CE1-CD1 4.12Å; F258-Y267 HydrophobicContact CE1-CG 4.2Å; F258-Y267 HydrophobicContact CZ-CD1 4.42Å; F258-Y267 HydrophobicContact CZ-CG 4.23Å; F258-I332 HydrophobicContact CE1-CD1 4.02Å; F258-I332 HydrophobicContact CZ-CD1 4.22Å; F258-I332 HydrophobicContact CZ-CG2 4.46Å; F258-W343 HydrophobicContact CB-CH2 3.74Å; F258-W343 HydrophobicContact CB-CZ2 4.15Å; F258-W343 HydrophobicContact CB-CZ3 4.41Å
259I83.5Confident87.2Confident33 Ų3356.2 Ų56.217%0.16926%0.255CS..EExtended strand (participates in β ladder)trans-131.7119.9174.2-61-173.3000105.8P237 E240 T261 Y266 F268P237-I259 HydrophobicContact CB-CG2 3.66Å; P237-I259 HydrophobicContact CG-CG2 4.41Å; E240-I259 HydrophobicContact CB-CG1 4.17Å; I259-T261 HydrophobicContact CG2-CG2 3.92Å; I259-Y266 PolarHBondContact N-O 3.45Å; I259-Y266 WeakPolarHBondContact O-CD2 3.46Å; I259-Y266 PolarHBondContact O-N 2.86Å; I259-F268 HydrophobicContact CB-CE2 4.23Å; I259-F268 HydrophobicContact CD1-CD2 4.17Å; I259-F268 HydrophobicContact CD1-CE2 3.64Å; I259-F268 HydrophobicContact CD1-CZ 4.27Å; I259-F268 HydrophobicContact CG1-CD2 4.29Å; I259-F268 HydrophobicContact CG1-CE2 3.94Å
260L84.1Confident86.8Confident0 Ų052.8 Ų52.80%024%0.243CC..EExtended strand (participates in β ladder)trans-100.6122.1173.9171.869.3000108.3P237 D238 R239 L265 L282 W343 A346 I347P237-L260 CarbonylContact C-O 3.13Å; P237-L260 VanDerWaalsContact CA-O 3.28Å; P237-L260 WeakPolarHBondContact CA-O 3.42Å; D238-L260 HydrophobicContact CB-CD2 3.94Å; D238-L260 HydrophobicContact CB-CG 3.99Å; D238-L260 PolarHBondContact N-O 3.06Å; R239-L260 HydrophobicContact CB-CB 4.35Å; R239-L260 HydrophobicContact CB-CD2 4.44Å; R239-L260 PolarHBondContact N-O 3.38Å; R239-L260 PolarHBondContact O-N 2.74Å; L260-L265 HydrophobicContact CB-CD1 3.95Å; L260-L265 HydrophobicContact CD1-CD1 4.28Å; L260-L282 HydrophobicContact CD1-CD1 3.38Å; L260-W343 HydrophobicContact CB-CZ3 3.94Å; L260-A346 VanDerWaalsContact CD2-C 3.49Å; L260-A346 HydrophobicContact CD2-CB 3.78Å; L260-A346 WeakPolarHBondContact CD2-O 3.22Å; L260-I347 HydrophobicContact CD1-CG1 4.32Å; L260-I347 HydrophobicContact CD2-CG1 4Å
261T71.9Confident85.4Confident3 Ų351.9 Ų51.92%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-170.7149.6-176.8-169.50000110.5F235 N236 I259 N263 C264 Y266F235-T261 WeakPolarHBondContact CA-OG1 3.25Å; F235-T261 HydrophobicContact CB-CG2 3.8Å; F235-T261 VanDerWaalsContact CB-OG1 3.25Å; F235-T261 WeakPolarHBondContact CB-OG1 3.19Å; F235-T261 HydrophobicContact CD1-CG2 3.23Å; F235-T261 VanDerWaalsContact CD1-OG1 3.27Å; F235-T261 WeakPolarHBondContact CD1-OG1 3.42Å; F235-T261 HydrophobicContact CE1-CG2 4.01Å; F235-T261 HydrophobicContact CG-CG2 3.87Å; N236-T261 PolarHBondContact O-OG1 3.38Å; I259-T261 HydrophobicContact CG2-CG2 3.92Å; T261-N263 VanDerWaalsContact C-N 3.29Å; T261-N263 PolarHBondContact O-N 2.95Å; T261-C264 PolarHBondContact N-O 3.18Å; T261-C264 CarbonylContact O-C 3.52Å; T261-C264 WeakPolarHBondContact O-CA 3.29Å; T261-C264 WeakPolarHBondContact O-CB 3.34Å; T261-C264 PolarHBondContact O-N 2.68Å; T261-Y266 HydrophobicContact CG2-CD2 3.69Å; T261-Y266 HydrophobicContact CG2-CE2 3.46Å; T261-Y266 VanDerWaalsContact CG2-CE2 3.46Å
262D66.3Low84Confident69 Ų6951.5 Ų51.537%0.36925%0.247SC..THydrogen-bonded Turntrans44.249.1-176.1-60.7-6.1000114F235 C264F235-D262 HydrophobicContact CD1-CB 3.91Å; F235-D262 WeakPolarHBondContact CD1-OD2 3.38Å; F235-D262 HydrophobicContact CE1-CB 3.59Å; F235-D262 WeakPolarHBondContact CE1-OD2 3.36Å; F235-D262 WeakPolarHBondContact CZ-OD2 3.43Å; D262-C264 PolarHBondContact O-N 3.42Å
263N77.8Confident82.3Confident49 Ų4950.7 Ų50.726%0.26224%0.24SC..THydrogen-bonded Turntrans55.725.9179.5-151.928.5000113.3T261 L282 S350 I351T261-N263 VanDerWaalsContact C-N 3.29Å; T261-N263 PolarHBondContact O-N 2.95Å; N263-L282 WeakPolarHBondContact O-CB 2.81Å; N263-L282 WeakPolarHBondContact O-CG 3.08Å; N263-L282 PolarHBondContact O-N 2.77Å; N263-S350 PolarHBondContact OD1-O 3.29Å; N263-S350 VanDerWaalsContact OD1-O 3.07Å; N263-I351 WeakPolarHBondContact OD1-CA 3.26Å
264C83.9Confident80.4Confident23 Ų2357.2 Ų57.216%0.15527%0.27CS..EExtended strand (participates in β ladder)trans-130.6143179.9-73.20000110.1T261 D262 Y266 I279T261-C264 PolarHBondContact N-O 3.18Å; T261-C264 CarbonylContact O-C 3.52Å; T261-C264 WeakPolarHBondContact O-CA 3.29Å; T261-C264 WeakPolarHBondContact O-CB 3.34Å; T261-C264 PolarHBondContact O-N 2.68Å; D262-C264 PolarHBondContact O-N 3.42Å; C264-Y266 HydrophobicContact CB-CD2 4.18Å; C264-Y266 HydrophobicContact CB-CE2 3.39Å; C264-I279 HydrophobicContact CB-CG2 4.44Å
265L91.3Very high79.1Confident1 Ų158.9 Ų58.91%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-108.3109.6173.2-171.767.9000109.6F258 L260 I280 L282 L301 I332 W343F258-L265 HydrophobicContact CB-CD1 4.44Å; F258-L265 HydrophobicContact CD1-CD1 3.78Å; F258-L265 HydrophobicContact CD1-CD2 3.77Å; F258-L265 HydrophobicContact CD1-CG 3.63Å; F258-L265 HydrophobicContact CE1-CD2 3.8Å; F258-L265 HydrophobicContact CE1-CG 4.03Å; L260-L265 HydrophobicContact CB-CD1 3.95Å; L260-L265 HydrophobicContact CD1-CD1 4.28Å; L265-I280 HydrophobicContact CB-CB 4.32Å; L265-I280 HydrophobicContact CD2-CD1 4.48Å; L265-I280 PolarHBondContact N-O 3Å; L265-I280 PolarHBondContact O-N 2.98Å; L265-L282 HydrophobicContact CB-CD2 4.07Å; L265-L282 HydrophobicContact CB-CG 4.48Å; L265-L301 HydrophobicContact CD2-CD1 3.81Å; L265-I332 HydrophobicContact CD2-CD1 3.89Å; L265-W343 HydrophobicContact CD1-CZ3 4.03Å
266Y88.6Confident78.4Confident37 Ų3753.5 Ų53.515%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-93.2147.5177.7-57.4-97.1000109.7F235 F258 I259 T261 C264 P276 I279F235-Y266 HydrophobicContact CE1-CE2 4.22Å; F235-Y266 WeakPolarHBondContact CE1-OH 3.27Å; F258-Y266 VanDerWaalsContact CA-O 3.29Å; F258-Y266 WeakPolarHBondContact CA-O 3.45Å; I259-Y266 PolarHBondContact N-O 3.45Å; I259-Y266 WeakPolarHBondContact O-CD2 3.46Å; I259-Y266 PolarHBondContact O-N 2.86Å; T261-Y266 HydrophobicContact CG2-CD2 3.69Å; T261-Y266 HydrophobicContact CG2-CE2 3.46Å; T261-Y266 VanDerWaalsContact CG2-CE2 3.46Å; C264-Y266 HydrophobicContact CB-CD2 4.18Å; C264-Y266 HydrophobicContact CB-CE2 3.39Å; Y266-P276 HydrophobicContact CD1-CB 4.25Å; Y266-P276 HydrophobicContact CD1-CG 4.2Å; Y266-I279 HydrophobicContact CD1-CB 4.37Å; Y266-I279 HydrophobicContact CD1-CD1 4.23Å; Y266-I279 HydrophobicContact CD1-CG1 3.81Å; Y266-I279 HydrophobicContact CD1-CG2 3.99Å; Y266-I279 HydrophobicContact CE1-CB 4.43Å; Y266-I279 HydrophobicContact CE1-CD1 3.98Å; Y266-I279 HydrophobicContact CE1-CG1 3.98Å; Y266-I279 HydrophobicContact CE1-CG2 3.69Å
267Y90.9Very high77.9Confident10 Ų1055.2 Ų55.24%0.03927%0.268CS..EExtended strand (participates in β ladder)trans-140.5136.717165-95000112.9K245 R256 W257 F258 R277 G278 I280K245-Y267 HydrophobicContact CD-CD1 4.33Å; K245-Y267 HydrophobicContact CD-CD2 3.9Å; K245-Y267 HydrophobicContact CD-CE1 4.37Å; K245-Y267 HydrophobicContact CD-CE2 3.97Å; K245-Y267 HydrophobicContact CD-CG 4.1Å; R256-Y267 HydrophobicContact CB-CD2 4.29Å; R256-Y267 HydrophobicContact CG-CD2 3.93Å; W257-Y267 CarbonylContact O-C 3.55Å; W257-Y267 VanDerWaalsContact O-CA 3.24Å; W257-Y267 WeakPolarHBondContact O-CA 3.49Å; F258-Y267 HydrophobicContact CE1-CD1 4.12Å; F258-Y267 HydrophobicContact CE1-CG 4.2Å; F258-Y267 HydrophobicContact CZ-CD1 4.42Å; F258-Y267 HydrophobicContact CZ-CG 4.23Å; Y267-R277 HydrophobicContact CD2-CB 3.95Å; Y267-R277 HydrophobicContact CD2-CG 4.37Å; Y267-R277 HydrophobicContact CE2-CB 3.81Å; Y267-R277 HydrophobicContact CE2-CG 3.81Å; Y267-R277 WeakPolarHBondContact O-CA 3.28Å; Y267-R277 WeakPolarHBondContact O-CB 3.48Å; Y267-R277 PolarHBondContact O-N 2.93Å; Y267-G278 WeakPolarHBondContact CD1-O 3.47Å; Y267-G278 VanDerWaalsContact CZ-CA 3.44Å; Y267-G278 PolarHBondContact N-O 2.77Å; Y267-G278 PolarHBondContact O-N 3.41Å; Y267-I280 HydrophobicContact CD1-CD1 4.27Å; Y267-I280 HydrophobicContact CE1-CD1 4.14Å; Y267-I280 HydrophobicContact CE1-CG1 4.23Å
268F89.3Confident77.8Confident24 Ų2453.3 Ų53.311%0.10526%0.261CS..EExtended strand (participates in β ladder)trans-118156-173.2-58.9-101.1000110.9R256 W257 I259 Y270 D273 E275 P276R256-F268 VanDerWaalsContact CA-O 3.28Å; R256-F268 WeakPolarHBondContact CA-O 3.47Å; R256-F268 VanDerWaalsContact CB-O 3.31Å; R256-F268 WeakPolarHBondContact CB-O 3.08Å; R256-F268 WeakPolarHBondContact CD-O 3.41Å; W257-F268 HydrophobicContact CB-CB 4.36Å; W257-F268 PolarHBondContact N-O 2.92Å; W257-F268 PolarHBondContact O-N 3.08Å; I259-F268 HydrophobicContact CB-CE2 4.23Å; I259-F268 HydrophobicContact CD1-CD2 4.17Å; I259-F268 HydrophobicContact CD1-CE2 3.64Å; I259-F268 HydrophobicContact CD1-CZ 4.27Å; I259-F268 HydrophobicContact CG1-CD2 4.29Å; I259-F268 HydrophobicContact CG1-CE2 3.94Å; F268-Y270 WeakPolarHBondContact CB-O 3.43Å; F268-D273 HydrophobicContact CB-CB 4.27Å; F268-D273 HydrophobicContact CD1-CB 3.87Å; F268-E275 WeakPolarHBondContact CD1-O 3.38Å; F268-P276 HydrophobicContact CD1-CB 4.25Å; F268-P276 VanDerWaalsContact CE1-CA 3.46Å; F268-P276 HydrophobicContact CE1-CB 3.81Å; F268-P276 HydrophobicContact CE1-CG 4.49Å; F268-P276 HydrophobicContact CE2-CB 4.28Å; F268-P276 HydrophobicContact CZ-CB 3.82Å
269E86.6Confident77.6Confident55 Ų5555.6 Ų55.626%0.25727%0.273SS..SBendtrans-75.5-41.9174.1-174.3148.2-12200110.7R256 D273 R277R256-E269 IonicContact CZ-OE1 3.68Å; R256-E269 IonicContact NH1-OE1 3.48Å; R256-E269 PolarHBondContact NH1-OE1 3.23Å; R256-E269 IonicContact NH2-OE1 3.27Å; R256-E269 PolarHBondContact NH2-OE1 3.38Å; E269-D273 WeakPolarHBondContact CA-OD2 3.43Å; E269-D273 WeakPolarHBondContact CB-OD2 3.15Å; E269-D273 PolarHBondContact N-OD2 3.4Å; E269-D273 VanDerWaalsContact N-OD2 3.09Å; E269-R277 IonicContact OE2-CZ 4Å; E269-R277 IonicContact OE2-NH1 2.67Å; E269-R277 IonicContact OE2-NH2 2.79Å; E269-R277 PolarHBondContact OE2-NH2 3.02Å
270Y73.9Confident78Confident138 Ų13854 Ų5454%0.54127%0.265SS..SBendtrans-128.1157.5175.7-52.6-72.5000111.5F268 T272 D273F268-Y270 WeakPolarHBondContact CB-O 3.43Å; Y270-T272 PolarHBondContact O-N 3.16Å; Y270-D273 PolarHBondContact N-OD2 3.09Å; Y270-D273 WeakPolarHBondContact O-CB 3.24Å; Y270-D273 PolarHBondContact O-N 2.87Å
271T58.6Low78.1Confident82 Ų8256.1 Ų56.150%0.50328%0.278SS..THydrogen-bonded Turntrans-67.1-20.2176.649.50000113.1W242 W257W242-T271 HydrophobicContact CZ2-CG2 3.74Å; W257-T271 HydrophobicContact CB-CG2 4.17Å; W257-T271 HydrophobicContact CD2-CG2 3.59Å; W257-T271 HydrophobicContact CE3-CG2 3.84Å; W257-T271 HydrophobicContact CG-CG2 3.75Å; W257-T271 HydrophobicContact CZ2-CG2 4.48Å; W257-T271 HydrophobicContact CZ3-CG2 4.39Å
272T59.7Low78.8Confident120 Ų12056 Ų5674%0.73628%0.277SS*.THydrogen-bonded Turntrans-92-1.5179.953.10000113.3Y270 K274Y270-T272 PolarHBondContact O-N 3.16Å; T272-K274 PolarHBondContact O-N 2.84Å
273D56.4Low79.5Confident52 Ų5259.1 Ų59.128%0.27829%0.29SS..  trans-70.7129.8-177.8-71.8-14.8000110.3F268 E269 Y270F268-D273 HydrophobicContact CB-CB 4.27Å; F268-D273 HydrophobicContact CD1-CB 3.87Å; E269-D273 WeakPolarHBondContact CA-OD2 3.43Å; E269-D273 WeakPolarHBondContact CB-OD2 3.15Å; E269-D273 PolarHBondContact N-OD2 3.4Å; E269-D273 VanDerWaalsContact N-OD2 3.09Å; Y270-D273 PolarHBondContact N-OD2 3.09Å; Y270-D273 WeakPolarHBondContact O-CB 3.24Å; Y270-D273 PolarHBondContact O-N 2.87Å
274K55.9Low79.7Confident199 Ų19962.1 Ų62.187%0.86531%0.306SS*.SBendtrans-77.9-22.1176.4-63.2-173.2177.8-1740113.3T272T272-K274 PolarHBondContact O-N 2.84Å
275E66.5Low79.9Confident141 Ų14161.4 Ų61.466%0.65930%0.301SS*.SBendtrans-121.9135.7-177.6-64.7-170.6155.200111.4F268F268-E275 WeakPolarHBondContact CD1-O 3.38Å
276P81Confident79.9Confident20 Ų2063.3 Ų63.313%0.1331%0.314CS..  trans-71.1142.5179.829.2-34.5000111.2Y266 F268 G278 I279Y266-P276 HydrophobicContact CD1-CB 4.25Å; Y266-P276 HydrophobicContact CD1-CG 4.2Å; F268-P276 HydrophobicContact CD1-CB 4.25Å; F268-P276 VanDerWaalsContact CE1-CA 3.46Å; F268-P276 HydrophobicContact CE1-CB 3.81Å; F268-P276 HydrophobicContact CE1-CG 4.49Å; F268-P276 HydrophobicContact CE2-CB 4.28Å; F268-P276 HydrophobicContact CZ-CB 3.82Å; P276-G278 PolarHBondContact O-N 3.25Å; P276-I279 HydrophobicContact CB-CG1 4.23Å; P276-I279 HydrophobicContact CG-CD1 3.89Å; P276-I279 HydrophobicContact CG-CG1 3.76Å
277R87.2Confident80.2Confident63 Ų6361.9 Ų61.924%0.23831%0.309CS..SBendtrans-69.5-24.3169.4-176.354.461.695.313.8111.7Y267 E269 K315 T316Y267-R277 HydrophobicContact CD2-CB 3.95Å; Y267-R277 HydrophobicContact CD2-CG 4.37Å; Y267-R277 HydrophobicContact CE2-CB 3.81Å; Y267-R277 HydrophobicContact CE2-CG 3.81Å; Y267-R277 WeakPolarHBondContact O-CA 3.28Å; Y267-R277 WeakPolarHBondContact O-CB 3.48Å; Y267-R277 PolarHBondContact O-N 2.93Å; E269-R277 IonicContact OE2-CZ 4Å; E269-R277 IonicContact OE2-NH1 2.67Å; E269-R277 IonicContact OE2-NH2 2.79Å; E269-R277 PolarHBondContact OE2-NH2 3.02Å; R277-K315 CarbonylContact O-C 3.44Å; R277-K315 WeakPolarHBondContact O-CA 3.39Å; R277-K315 WeakPolarHBondContact O-CB 3.45Å; R277-T316 WeakPolarHBondContact CD-O 3.35Å; R277-T316 PolarHBondContact O-N 3.01Å
278G87.6Confident80.4Confident1 Ų165.8 Ų65.81%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-170.5164.9166.300000113.5Y267 P276 C314Y267-G278 WeakPolarHBondContact CD1-O 3.47Å; Y267-G278 VanDerWaalsContact CZ-CA 3.44Å; Y267-G278 PolarHBondContact N-O 2.77Å; Y267-G278 PolarHBondContact O-N 3.41Å; P276-G278 PolarHBondContact O-N 3.25Å; G278-C314 CarbonylContact C-O 3.56Å; G278-C314 WeakPolarHBondContact CA-O 3.4Å
279I88.2Confident80.8Confident47 Ų4769.9 Ų69.924%0.24134%0.343CS..EExtended strand (participates in β ladder)trans-131.1127.5-172.3-49.7176.9000107.3C264 Y266 P276 A313 C314C264-I279 HydrophobicContact CB-CG2 4.44Å; Y266-I279 HydrophobicContact CD1-CB 4.37Å; Y266-I279 HydrophobicContact CD1-CD1 4.23Å; Y266-I279 HydrophobicContact CD1-CG1 3.81Å; Y266-I279 HydrophobicContact CD1-CG2 3.99Å; Y266-I279 HydrophobicContact CE1-CB 4.43Å; Y266-I279 HydrophobicContact CE1-CD1 3.98Å; Y266-I279 HydrophobicContact CE1-CG1 3.98Å; Y266-I279 HydrophobicContact CE1-CG2 3.69Å; P276-I279 HydrophobicContact CB-CG1 4.23Å; P276-I279 HydrophobicContact CG-CD1 3.89Å; P276-I279 HydrophobicContact CG-CG1 3.76Å; I279-A313 WeakPolarHBondContact O-CA 3.5Å; I279-A313 WeakPolarHBondContact O-CB 3.11Å; I279-C314 PolarHBondContact N-O 2.83Å; I279-C314 PolarHBondContact O-N 2.9Å; I279-C314 VanDerWaalsContact O-N 3.13Å
280I92.4Very high81.2Confident0 Ų068.4 Ų68.40%034%0.338CS..EExtended strand (participates in β ladder)trans-119.597.6179.1-49.8166.8000107.8L265 Y267 L282 L285 L301 I311 A313 Y330L265-I280 HydrophobicContact CB-CB 4.32Å; L265-I280 HydrophobicContact CD2-CD1 4.48Å; L265-I280 PolarHBondContact N-O 3Å; L265-I280 PolarHBondContact O-N 2.98Å; Y267-I280 HydrophobicContact CD1-CD1 4.27Å; Y267-I280 HydrophobicContact CE1-CD1 4.14Å; Y267-I280 HydrophobicContact CE1-CG1 4.23Å; I280-L282 PolarHBondContact O-N 2.65Å; I280-L285 HydrophobicContact CG2-CD1 4.1Å; I280-L301 HydrophobicContact CG2-CD1 4.34Å; I280-I311 HydrophobicContact CG2-CG2 4.33Å; I280-A313 HydrophobicContact CG1-CB 4.45Å; I280-Y330 HydrophobicContact CD1-CD1 3.49Å; I280-Y330 VanDerWaalsContact CD1-CD1 3.49Å; I280-Y330 HydrophobicContact CD1-CD2 4.13Å; I280-Y330 HydrophobicContact CD1-CE1 3.47Å; I280-Y330 VanDerWaalsContact CD1-CE1 3.47Å; I280-Y330 HydrophobicContact CD1-CE2 4.13Å; I280-Y330 HydrophobicContact CD1-CG 3.83Å; I280-Y330 HydrophobicContact CG1-CD1 4.4Å; I280-Y330 HydrophobicContact CG1-CE1 3.93Å; I280-Y330 HydrophobicContact CG1-CE2 4.17Å; I280-Y330 HydrophobicContact CG2-CD2 4.19Å; I280-Y330 HydrophobicContact CG2-CE2 4Å
281P85.3Confident82Confident44 Ų4468 Ų6829%0.28635%0.352SS..EExtended strand (participates in β ladder)trans-56.3131.1167.4-22.332.7000110.3E283 L285 K312P281-E283 VanDerWaalsContact C-N 3.34Å; P281-L285 VanDerWaalsContact O-CD1 3.31Å; P281-L285 WeakPolarHBondContact O-CD1 3.31Å; P281-K312 WeakPolarHBondContact CD-O 3.28Å
282L87.9Confident83.5Confident0 Ų067.9 Ų67.90%034%0.343CS..  trans-90.7-1.3-178.5-56.9176.9000112.9L260 N263 L265 I280 N284 L285 L301 I347 I351L260-L282 HydrophobicContact CD1-CD1 3.38Å; N263-L282 WeakPolarHBondContact O-CB 2.81Å; N263-L282 WeakPolarHBondContact O-CG 3.08Å; N263-L282 PolarHBondContact O-N 2.77Å; L265-L282 HydrophobicContact CB-CD2 4.07Å; L265-L282 HydrophobicContact CB-CG 4.48Å; I280-L282 PolarHBondContact O-N 2.65Å; L282-N284 PolarHBondContact O-N 3.15Å; L282-L285 HydrophobicContact CD2-CD1 4.42Å; L282-L285 WeakPolarHBondContact O-CB 3.02Å; L282-L285 PolarHBondContact O-N 2.77Å; L282-L301 HydrophobicContact CD2-CD1 3.98Å; L282-L301 HydrophobicContact CD2-CD2 4.3Å; L282-I347 HydrophobicContact CD1-CG2 4.22Å; L282-I351 HydrophobicContact CB-CD1 4.35Å; L282-I351 HydrophobicContact CB-CG1 3.84Å; L282-I351 HydrophobicContact CD1-CG1 4.34Å
283E79.9Confident84.9Confident135 Ų13567 Ų6763%0.63134%0.34SS*.THydrogen-bonded Turntrans-52.4126.4174-66.8179.3-169.800111.7P281 L285P281-E283 VanDerWaalsContact C-N 3.34Å; E283-L285 PolarHBondContact O-N 2.86Å; E283-L285 VanDerWaalsContact O-N 3.15Å
284N81.9Confident86.3Confident112 Ų11276.5 Ų76.560%0.59937%0.371SS*.THydrogen-bonded Turntrans61.315.3-179.3-47.9-69.5000114.5L282 N303 P304L282-N284 PolarHBondContact O-N 3.15Å; N284-N303 PolarHBondContact O-OD1 3.07Å; N284-P304 WeakPolarHBondContact O-CD 3.27Å
285L89.6Confident87.9Confident8 Ų870.5 Ų70.54%0.04235%0.345CS..  trans-97.3161.3171.8-56.2-170.8000110.8I280 P281 L282 E283 L301 Y302 N303 I311I280-L285 HydrophobicContact CG2-CD1 4.1Å; P281-L285 VanDerWaalsContact O-CD1 3.31Å; P281-L285 WeakPolarHBondContact O-CD1 3.31Å; L282-L285 HydrophobicContact CD2-CD1 4.42Å; L282-L285 WeakPolarHBondContact O-CB 3.02Å; L282-L285 PolarHBondContact O-N 2.77Å; E283-L285 PolarHBondContact O-N 2.86Å; E283-L285 VanDerWaalsContact O-N 3.15Å; L285-L301 HydrophobicContact CD1-CB 4.47Å; L285-Y302 CarbonylContact C-O 3.54Å; L285-Y302 WeakPolarHBondContact CA-O 3.41Å; L285-N303 HydrophobicContact CD2-CB 3.95Å; L285-I311 HydrophobicContact CD1-CD1 4.28Å; L285-I311 HydrophobicContact CD1-CG2 3.81Å; L285-I311 HydrophobicContact CD2-CD1 4.03Å; L285-I311 HydrophobicContact CD2-CG1 3.95Å; L285-I311 HydrophobicContact CD2-CG2 4.12Å
286S90.9Very high89Confident41 Ų4167.3 Ų67.329%0.28734%0.337SS..EExtended strand (participates in β ladder)trans-134.6155170.9-66.40000108.7L301 Y302S286-L301 WeakPolarHBondContact O-CA 3.2Å; S286-Y302 PolarHBondContact N-O 2.7Å; S286-Y302 VanDerWaalsContact O-CD1 3.3Å; S286-Y302 WeakPolarHBondContact O-CD1 3.19Å; S286-Y302 PolarHBondContact O-N 2.74Å
287V95.4Very high89.7Confident7 Ų770.9 Ų70.94%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-120135.2-179.565.50000111.1L299 E300 L301 I344 I347 R348V287-L299 HydrophobicContact CG2-CB 4.33Å; V287-L299 HydrophobicContact CG2-CD1 3.98Å; V287-E300 WeakPolarHBondContact CA-O 3.38Å; V287-L301 HydrophobicContact CB-CD2 3.79Å; V287-L301 HydrophobicContact CG2-CD2 3.87Å; V287-I344 HydrophobicContact CG1-CG2 4.15Å; V287-I344 HydrophobicContact CG2-CG1 4.09Å; V287-I347 HydrophobicContact CB-CG2 3.81Å; V287-I347 HydrophobicContact CG1-CB 4.04Å; V287-I347 HydrophobicContact CG1-CG2 3.65Å; V287-I347 HydrophobicContact CG2-CD1 4.45Å; V287-I347 HydrophobicContact CG2-CG2 4.32Å; V287-R348 HydrophobicContact CG1-CG 3.51Å; V287-R348 PolarHBondContact O-NH2 3.47Å
288R94.8Very high90.2Very high93 Ų9368 Ų6835%0.35134%0.338SS..EExtended strand (participates in β ladder)trans-141.4157.5177.166-178.9176.4-171.61.4111.7V290 L299 E300 Y302R288-V290 HydrophobicContact CG-CG1 4.02Å; R288-L299 CarbonylContact O-C 3.48Å; R288-L299 VanDerWaalsContact O-CA 3.25Å; R288-L299 WeakPolarHBondContact O-CA 3.44Å; R288-E300 HydrophobicContact CG-CB 4.36Å; R288-E300 IonicContact CZ-OE2 3.7Å; R288-E300 VanDerWaalsContact CZ-OE2 3.29Å; R288-E300 PolarHBondContact N-O 2.87Å; R288-E300 VanDerWaalsContact N-O 3.13Å; R288-E300 IonicContact NE-OE2 2.96Å; R288-E300 PolarHBondContact NE-OE2 2.81Å; R288-E300 IonicContact NH2-OE2 3.66Å; R288-E300 PolarHBondContact NH2-OE2 2.63Å; R288-E300 PolarHBondContact O-N 3.31Å; R288-Y302 HydrophobicContact CB-CE1 4.07Å; R288-Y302 VanDerWaalsContact CD-CE1 3.47Å; R288-Y302 HydrophobicContact CG-CD1 4.01Å; R288-Y302 HydrophobicContact CG-CE1 3.59Å
289E96.8Very high90.7Very high110 Ų11068 Ų6851%0.51434%0.338SS..EExtended strand (participates in β ladder)trans-68.1140.9165.5179.1177.4173.600110.1R340 I344E289-R340 IonicContact OE1-CZ 2.88Å; E289-R340 IonicContact OE1-NH1 3.29Å; E289-R340 PolarHBondContact OE1-NH1 2.77Å; E289-R340 IonicContact OE1-NH2 2.87Å; E289-R340 IonicContact OE2-CZ 3.45Å; E289-R340 IonicContact OE2-NH1 2.73Å; E289-R340 PolarHBondContact OE2-NH1 3.36Å; E289-R340 IonicContact OE2-NH2 3.92Å; E289-R340 PolarHBondContact OE2-NH2 2.99Å; E289-I344 HydrophobicContact CB-CD1 4.15Å
290V94.5Very high91.1Very high23 Ų2367 Ų6714%0.13933%0.332CS..  trans-137.8138.2172.6-66.20000111.5R288 C298 E300 T331R288-V290 HydrophobicContact CG-CG1 4.02Å; V290-C298 HydrophobicContact CG2-CB 4.22Å; V290-C298 PolarHBondContact N-O 3.25Å; V290-C298 WeakPolarHBondContact O-CB 3.43Å; V290-E300 HydrophobicContact CB-CB 4.38Å; V290-E300 HydrophobicContact CG1-CB 3.58Å; V290-E300 HydrophobicContact CG2-CB 3.83Å; V290-T331 HydrophobicContact CG2-CG2 4.23Å
291P91.3Very high91.2Very high130 Ų13067 Ų6784%0.84433%0.332SS*.  trans-71.5137.4168.429.5-32.3000109.8
292Y90.3Very high91.6Very high79 Ų7967.2 Ų67.231%0.3133%0.328SS..BIsolated β-bridgetrans-130.1133.2173-161.2-83.8000111L246 W253 R294 K295 T331L246-Y292 HydrophobicContact CD2-CE2 3.86Å; L246-Y292 WeakPolarHBondContact CD2-OH 3.44Å; W253-Y292 AromaticContact CZ2-CD1 3.79Å; W253-Y292 HydrophobicContact CZ2-CD1 3.79Å; W253-Y292 HydrophobicContact CZ2-CD2 4.4Å; W253-Y292 AromaticContact CZ2-CE1 3.64Å; W253-Y292 HydrophobicContact CZ2-CE1 3.64Å; W253-Y292 HydrophobicContact CZ2-CE2 4.24Å; W253-Y292 HydrophobicContact CZ2-CG 4.18Å; W253-Y292 AromaticContact CZ2-CZ 3.86Å; Y292-R294 PolarHBondContact O-N 3.12Å; Y292-R294 VanDerWaalsContact O-N 3.15Å; Y292-K295 HydrophobicContact CD1-CB 4.01Å; Y292-K295 HydrophobicContact CD1-CG 4.19Å; Y292-K295 PolarHBondContact O-N 3.28Å; Y292-K295 VanDerWaalsContact O-O 3.09Å; Y292-T331 HydrophobicContact CD2-CG2 3.91Å; Y292-T331 HydrophobicContact CE2-CG2 4.39Å
293P90Very high91.7Very high103 Ų10369 Ų6967%0.66934%0.337SS*.THydrogen-bonded Turntrans-56.5122.9179.7-2634.4000112.1K295P293-K295 PolarHBondContact O-N 3.33Å
294R84.8Confident92Very high250 Ų25064.9 Ų64.994%0.94332%0.322SS*.THydrogen-bonded Turntrans62.417.3176.1-51.8177.6177.3172.4-2.4115Y292Y292-R294 PolarHBondContact O-N 3.12Å; Y292-R294 VanDerWaalsContact O-N 3.15Å
295K88.9Confident91.8Very high73 Ų7365.9 Ų65.932%0.31733%0.327SS..BIsolated β-bridgetrans-132.7112.4169.5-70.1-65.9-177.6-174.50109.6W253 Y292 P293 C298W253-K295 HydrophobicContact CZ2-CB 4.36Å; W253-K295 HydrophobicContact CZ2-CG 3.88Å; Y292-K295 HydrophobicContact CD1-CB 4.01Å; Y292-K295 HydrophobicContact CD1-CG 4.19Å; Y292-K295 PolarHBondContact O-N 3.28Å; Y292-K295 VanDerWaalsContact O-O 3.09Å; P293-K295 PolarHBondContact O-N 3.33Å; K295-C298 PolarHBondContact O-SG 3.41Å
296P90.1Very high91.1Very high75 Ų7567.1 Ų67.149%0.48734%0.337SS..  trans-76.6164.117734-35.2000111C298P296-C298 PolarHBondContact O-N 3.3Å; P296-C298 PolarHBondContact O-SG 3.01Å
297Y96.5Very high90.1Very high94 Ų9472.5 Ų72.537%0.36936%0.357SS..SBendtrans59.745.7168-34.4-55.1000115.1C333 A334 S335 S336 A337Y297-C333 WeakPolarHBondContact O-CA 3.42Å; Y297-A334 PolarHBondContact O-N 3.36Å; Y297-S335 WeakPolarHBondContact CE2-O 3.37Å; Y297-S336 WeakPolarHBondContact CB-O 3.46Å; Y297-S336 VanDerWaalsContact CG-C 3.47Å; Y297-A337 HydrophobicContact CD1-CB 3.75Å; Y297-A337 HydrophobicContact CE1-CB 3.9Å
298C97.4Very high88.8Confident2 Ų274.5 Ų74.51%0.01438%0.379CS..EExtended strand (participates in β ladder)trans-96.2145.1-178-53.40000113.2V290 K295 P296 T331 I332 C333V290-C298 HydrophobicContact CG2-CB 4.22Å; V290-C298 PolarHBondContact N-O 3.25Å; V290-C298 WeakPolarHBondContact O-CB 3.43Å; K295-C298 PolarHBondContact O-SG 3.41Å; P296-C298 PolarHBondContact O-N 3.3Å; P296-C298 PolarHBondContact O-SG 3.01Å; C298-T331 HydrophobicContact CB-CG2 4.36Å; C298-I332 CarbonylContact C-O 3.59Å; C298-I332 VanDerWaalsContact CA-O 3.22Å; C298-I332 WeakPolarHBondContact CA-O 3.41Å; C298-C333 HydrophobicContact CB-CB 4.11Å; C298-C333 WeakPolarHBondContact CB-SG 3.39Å; C298-C333 WeakPolarHBondContact SG-CB 3.31Å; C298-C333 CovalentContact SG-SG 2.05Å; C298-C333 PolarHBondContact SG-SG 3.4Å
299L97.3Very high88.1Confident1 Ų176.1 Ų76.11%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-123.2156.8171.865.584.7000109.9V287 R288 T331 I332 R340 W343 I344V287-L299 HydrophobicContact CG2-CB 4.33Å; V287-L299 HydrophobicContact CG2-CD1 3.98Å; R288-L299 CarbonylContact O-C 3.48Å; R288-L299 VanDerWaalsContact O-CA 3.25Å; R288-L299 WeakPolarHBondContact O-CA 3.44Å; L299-T331 WeakPolarHBondContact O-CA 3.26Å; L299-I332 HydrophobicContact CD1-CB 3.84Å; L299-I332 HydrophobicContact CD1-CD1 4.15Å; L299-I332 HydrophobicContact CD1-CG1 4.32Å; L299-I332 HydrophobicContact CG-CB 4.17Å; L299-I332 PolarHBondContact N-O 3.09Å; L299-I332 PolarHBondContact O-N 3Å; L299-R340 HydrophobicContact CB-CG 4.35Å; L299-R340 HydrophobicContact CD2-CG 4.35Å; L299-W343 HydrophobicContact CD2-CB 3.75Å; L299-I344 HydrophobicContact CB-CD1 4.01Å; L299-I344 HydrophobicContact CB-CG1 3.87Å; L299-I344 HydrophobicContact CD2-CG1 3.94Å
300E96.3Very high87.5Confident27 Ų2777.1 Ų77.113%0.12639%0.393CS..EExtended strand (participates in β ladder)trans-127.4126.8178.1-176.2178.6-135.300110.9V287 R288 V290 S329 Y330V287-E300 WeakPolarHBondContact CA-O 3.38Å; R288-E300 HydrophobicContact CG-CB 4.36Å; R288-E300 IonicContact CZ-OE2 3.7Å; R288-E300 VanDerWaalsContact CZ-OE2 3.29Å; R288-E300 PolarHBondContact N-O 2.87Å; R288-E300 VanDerWaalsContact N-O 3.13Å; R288-E300 IonicContact NE-OE2 2.96Å; R288-E300 PolarHBondContact NE-OE2 2.81Å; R288-E300 IonicContact NH2-OE2 3.66Å; R288-E300 PolarHBondContact NH2-OE2 2.63Å; R288-E300 PolarHBondContact O-N 3.31Å; V290-E300 HydrophobicContact CB-CB 4.38Å; V290-E300 HydrophobicContact CG1-CB 3.58Å; V290-E300 HydrophobicContact CG2-CB 3.83Å; E300-S329 WeakPolarHBondContact OE1-CB 3.41Å; E300-S329 PolarHBondContact OE1-OG 3.37Å; E300-Y330 WeakPolarHBondContact CA-O 3.41Å
301L95.1Very high87.3Confident0 Ų076.4 Ų76.40%039%0.388CS..EExtended strand (participates in β ladder)trans-88.4124161.8-56.4173.1000109.2L265 I280 L282 L285 S286 V287 S329 Y330 I332 I347L265-L301 HydrophobicContact CD2-CD1 3.81Å; I280-L301 HydrophobicContact CG2-CD1 4.34Å; L282-L301 HydrophobicContact CD2-CD1 3.98Å; L282-L301 HydrophobicContact CD2-CD2 4.3Å; L285-L301 HydrophobicContact CD1-CB 4.47Å; S286-L301 WeakPolarHBondContact O-CA 3.2Å; V287-L301 HydrophobicContact CB-CD2 3.79Å; V287-L301 HydrophobicContact CG2-CD2 3.87Å; L301-S329 CarbonylContact O-C 3.58Å; L301-S329 VanDerWaalsContact O-CA 3.23Å; L301-S329 WeakPolarHBondContact O-CA 3.34Å; L301-S329 VanDerWaalsContact O-CB 3.28Å; L301-S329 WeakPolarHBondContact O-CB 2.97Å; L301-Y330 PolarHBondContact N-O 3.15Å; L301-Y330 PolarHBondContact O-N 3.38Å; L301-I332 HydrophobicContact CD1-CD1 4.26Å; L301-I347 HydrophobicContact CD2-CD1 4.32Å; L301-I347 HydrophobicContact CD2-CG2 3.86Å
302Y93.4Very high87Confident48 Ų4878.2 Ų78.219%0.18838%0.383CS..EExtended strand (participates in β ladder)trans-143.4157.4-17972-75.3000110.9L285 S286 R288 P304L285-Y302 CarbonylContact C-O 3.54Å; L285-Y302 WeakPolarHBondContact CA-O 3.41Å; S286-Y302 PolarHBondContact N-O 2.7Å; S286-Y302 VanDerWaalsContact O-CD1 3.3Å; S286-Y302 WeakPolarHBondContact O-CD1 3.19Å; S286-Y302 PolarHBondContact O-N 2.74Å; R288-Y302 HydrophobicContact CB-CE1 4.07Å; R288-Y302 VanDerWaalsContact CD-CE1 3.47Å; R288-Y302 HydrophobicContact CG-CD1 4.01Å; R288-Y302 HydrophobicContact CG-CE1 3.59Å; Y302-P304 HydrophobicContact CE2-CB 3.99Å
303N90.1Very high86.9Confident38 Ų3875 Ų7520%0.20337%0.373CS..  trans-92.4115.7171.7-175.7-27.6000109.2N284 L285 N305 S306N284-N303 PolarHBondContact O-OD1 3.07Å; L285-N303 HydrophobicContact CD2-CB 3.95Å; N303-N305 VanDerWaalsContact C-N 3.3Å; N303-N305 PolarHBondContact O-N 3.15Å; N303-N305 PolarHBondContact OD1-N 3.04Å; N303-S306 PolarHBondContact OD1-N 2.72Å
304P85.7Confident86.7Confident49 Ų4971.9 Ų71.932%0.31835%0.353SS..THydrogen-bonded Turntrans-70.3-25.9-179.229.8-35.3000113N284 Y302N284-P304 WeakPolarHBondContact O-CD 3.27Å; Y302-P304 HydrophobicContact CE2-CB 3.99Å
305N78.1Confident86.9Confident132 Ų13262.8 Ų62.871%0.70632%0.32SS*.THydrogen-bonded Turntrans-92.2-5.2-173.5-62.7-31.5000113.2N303N303-N305 VanDerWaalsContact C-N 3.3Å; N303-N305 PolarHBondContact O-N 3.15Å; N303-N305 PolarHBondContact OD1-N 3.04Å
306S74.6Confident86.6Confident34 Ų3460.8 Ų60.824%0.23831%0.314CS..SBendtrans-149.265-173.3-62.60000111.4N303 G308 Q309N303-S306 PolarHBondContact OD1-N 2.72Å; S306-G308 PolarHBondContact O-N 2.99Å; S306-G308 VanDerWaalsContact O-N 3.13Å; S306-Q309 PolarHBondContact O-N 2.84Å; S306-Q309 VanDerWaalsContact O-N 3.13Å
307H70.3Confident86.2Confident155 Ų15560.8 Ų60.872%0.71831%0.308SS*.THydrogen-bonded Turntrans-53.1118.2178.2-97.7-77.9000111.7
308G67.9Low85.2Confident48 Ų4863.2 Ų63.250%0.49533%0.332SS..THydrogen-bonded Turntrans89.3-5.917600000115.9S306 Q328S306-G308 PolarHBondContact O-N 2.99Å; S306-G308 VanDerWaalsContact O-N 3.13Å; G308-Q328 PolarHBondContact O-NE2 2.81Å
309Q79.8Confident84.3Confident127 Ų12766.9 Ų66.959%0.59335%0.352SS*.PPolyproline II helixtrans-74.4155.6170.6-67.6-167.53.900111.4S306 Q328S306-Q309 PolarHBondContact O-N 2.84Å; S306-Q309 VanDerWaalsContact O-N 3.13Å; Q309-Q328 WeakPolarHBondContact O-CA 3.08Å
310K85.9Confident83Confident131 Ų13169.2 Ų69.257%0.5738%0.376SS*.PPolyproline II helixtrans-75135.1177.2-66.9176.3-174165.10109.8H327K310-H327 CarbonylContact C-O 3.51Å; K310-H327 WeakPolarHBondContact CA-O 3.15Å
311I88.9Confident82.2Confident8 Ų875.5 Ų75.54%0.04140%0.399CS..PPolyproline II helixtrans-70.8127.5170-65.3173.4000107.9I280 L285 A313 H327 Q328 Y330I280-I311 HydrophobicContact CG2-CG2 4.33Å; L285-I311 HydrophobicContact CD1-CD1 4.28Å; L285-I311 HydrophobicContact CD1-CG2 3.81Å; L285-I311 HydrophobicContact CD2-CD1 4.03Å; L285-I311 HydrophobicContact CD2-CG1 3.95Å; L285-I311 HydrophobicContact CD2-CG2 4.12Å; I311-A313 PolarHBondContact O-N 2.78Å; I311-H327 PolarHBondContact N-O 3.13Å; I311-Q328 WeakPolarHBondContact CD1-O 3.36Å; I311-Y330 HydrophobicContact CB-CE2 4.15Å; I311-Y330 HydrophobicContact CD1-CD2 3.89Å; I311-Y330 HydrophobicContact CD1-CE2 4.28Å; I311-Y330 HydrophobicContact CG2-CD2 4.5Å; I311-Y330 HydrophobicContact CG2-CE2 4Å
312K85.2Confident81.5Confident169 Ų16979.6 Ų79.674%0.73542%0.424SS*.  trans-65.7113.9173-69.6-177.8179.9177.70108.6P281P281-K312 WeakPolarHBondContact CD-O 3.28Å
313A89Confident81.1Confident11 Ų1179.5 Ų79.59%0.09143%0.428CS..  trans-156.2162.8179.400000108.8I279 I280 I311 E324 G325 Y330I279-A313 WeakPolarHBondContact O-CA 3.5Å; I279-A313 WeakPolarHBondContact O-CB 3.11Å; I280-A313 HydrophobicContact CG1-CB 4.45Å; I311-A313 PolarHBondContact O-N 2.78Å; A313-E324 CarbonylContact O-C 3.58Å; A313-E324 WeakPolarHBondContact O-CA 3.43Å; A313-G325 PolarHBondContact O-N 2.86Å; A313-Y330 HydrophobicContact CB-CE2 4.36Å; A313-Y330 WeakPolarHBondContact CB-OH 3.17Å
314C85.2Confident80.9Confident38 Ų3883.6 Ų83.626%0.25745%0.446SS..EExtended strand (participates in β ladder)trans-127152.8173.264.90000111.9G278 I279 V322 V323G278-C314 CarbonylContact C-O 3.56Å; G278-C314 WeakPolarHBondContact CA-O 3.4Å; I279-C314 PolarHBondContact N-O 2.83Å; I279-C314 PolarHBondContact O-N 2.9Å; I279-C314 VanDerWaalsContact O-N 3.13Å; C314-V322 HydrophobicContact CB-CG1 3.9Å; C314-V323 CarbonylContact C-O 3.43Å; C314-V323 WeakPolarHBondContact CA-O 3.2Å
315K88.6Confident80.7Confident59 Ų5981.3 Ų81.326%0.25743%0.431SS..EExtended strand (participates in β ladder)trans-141.3154.7173.771177.9-17773.50111.2R277 E317 V322 V323R277-K315 CarbonylContact O-C 3.44Å; R277-K315 WeakPolarHBondContact O-CA 3.39Å; R277-K315 WeakPolarHBondContact O-CB 3.45Å; K315-E317 IonicContact NZ-OE1 2.66Å; K315-E317 PolarHBondContact NZ-OE1 2.86Å; K315-V322 WeakPolarHBondContact O-CA 3.36Å; K315-V323 HydrophobicContact CD-CG2 4.45Å; K315-V323 HydrophobicContact CG-CG2 3.71Å; K315-V323 PolarHBondContact N-O 2.66Å; K315-V323 PolarHBondContact O-N 3.17Å
316T83.3Confident81Confident31 Ų3180.6 Ų80.619%0.1942%0.422CS..EExtended strand (participates in β ladder)trans-92.8131.2173.2-43.20000109.7R277 G320 R321R277-T316 WeakPolarHBondContact CD-O 3.35Å; R277-T316 PolarHBondContact O-N 3.01Å; T316-G320 WeakPolarHBondContact CG2-O 3.45Å; T316-R321 CarbonylContact C-O 3.15Å; T316-R321 WeakPolarHBondContact CA-O 3.38Å
317E80.4Confident81.7Confident75 Ų7579.5 Ų79.535%0.3541%0.413SS..  trans-80.4171.9171.3-54.8-141.3138.400111.1K315 D319 G320 R321 V323K315-E317 IonicContact NZ-OE1 2.66Å; K315-E317 PolarHBondContact NZ-OE1 2.86Å; E317-D319 WeakPolarHBondContact CB-OD1 3.46Å; E317-D319 PolarHBondContact O-N 2.77Å; E317-D319 VanDerWaalsContact O-N 3.15Å; E317-G320 PolarHBondContact O-N 2.92Å; E317-R321 PolarHBondContact N-O 2.93Å; E317-V323 HydrophobicContact CG-CG1 4.03Å; E317-V323 HydrophobicContact CG-CG2 3.62Å
318T76.7Confident82.7Confident144 Ų14478 Ų7888%0.88341%0.406SS*.THydrogen-bonded Turntrans-64.8-16.7-177.145.40000113.6
319D78.5Confident83.9Confident80 Ų8077.2 Ų77.243%0.42839%0.393SS..THydrogen-bonded Turntrans-94.68.3176.461.810.3000113.3E317 R321E317-D319 WeakPolarHBondContact CB-OD1 3.46Å; E317-D319 PolarHBondContact O-N 2.77Å; E317-D319 VanDerWaalsContact O-N 3.15Å; D319-R321 VanDerWaalsContact C-N 3.33Å; D319-R321 PolarHBondContact O-N 2.79Å; D319-R321 WeakPolarHBondContact OD1-CB 3.36Å; D319-R321 PolarHBondContact OD1-N 3.01Å; D319-R321 IonicContact OD1-NE 3.13Å; D319-R321 IonicContact OD2-CZ 3.11Å; D319-R321 IonicContact OD2-NE 2.68Å; D319-R321 PolarHBondContact OD2-NE 2.8Å; D319-R321 IonicContact OD2-NH2 2.82Å; D319-R321 PolarHBondContact OD2-NH2 2.71Å
320G70.1Confident84.6Confident50 Ų5071.3 Ų71.352%0.51537%0.365SS..SBendtrans84.3-3.3178.700000114.9T316 E317T316-G320 WeakPolarHBondContact CG2-O 3.45Å; E317-G320 PolarHBondContact O-N 2.92Å
321R79.8Confident85.1Confident159 Ų15965.9 Ų65.960%0.634%0.343SS*.  trans-74.1133.3178.9-68.6-174.4-73.2-175.9-6.2111.9T316 E317 D319T316-R321 CarbonylContact C-O 3.15Å; T316-R321 WeakPolarHBondContact CA-O 3.38Å; E317-R321 PolarHBondContact N-O 2.93Å; D319-R321 VanDerWaalsContact C-N 3.33Å; D319-R321 PolarHBondContact O-N 2.79Å; D319-R321 WeakPolarHBondContact OD1-CB 3.36Å; D319-R321 PolarHBondContact OD1-N 3.01Å; D319-R321 IonicContact OD1-NE 3.13Å; D319-R321 IonicContact OD2-CZ 3.11Å; D319-R321 IonicContact OD2-NE 2.68Å; D319-R321 PolarHBondContact OD2-NE 2.8Å; D319-R321 IonicContact OD2-NH2 2.82Å; D319-R321 PolarHBondContact OD2-NH2 2.71Å
322V79.3Confident85.5Confident86 Ų8665.5 Ų65.552%0.52134%0.341SS..EExtended strand (participates in β ladder)trans-84.1123172.3-177.90000109.5C314 K315C314-V322 HydrophobicContact CB-CG1 3.9Å; K315-V322 WeakPolarHBondContact O-CA 3.36Å
323V86.3Confident86.1Confident45 Ų4557.6 Ų57.627%0.27331%0.307SS..EExtended strand (participates in β ladder)trans-128.4156.2-179.6-60.50000111.1C314 K315 E317C314-V323 CarbonylContact C-O 3.43Å; C314-V323 WeakPolarHBondContact CA-O 3.2Å; K315-V323 HydrophobicContact CD-CG2 4.45Å; K315-V323 HydrophobicContact CG-CG2 3.71Å; K315-V323 PolarHBondContact N-O 2.66Å; K315-V323 PolarHBondContact O-N 3.17Å; E317-V323 HydrophobicContact CG-CG1 4.03Å; E317-V323 HydrophobicContact CG-CG2 3.62Å
324E86.2Confident86.5Confident124 Ų12457.6 Ų57.658%0.57931%0.307SS*.EExtended strand (participates in β ladder)trans-66.9140174.9-161.7-177.9-167.700111.7A313A313-E324 CarbonylContact O-C 3.58Å; A313-E324 WeakPolarHBondContact O-CA 3.43Å
325G81.1Confident86.9Confident1 Ų160.3 Ų60.31%0.0133%0.327CS..  trans-60.8146.3172.400000111.6A313A313-G325 PolarHBondContact O-N 2.86Å
326K84.7Confident87.2Confident117 Ų11759 Ų5951%0.50933%0.325SS..  trans-115.739.3-180-63.5-176.4-179.3177.10110.7
327H88.9Confident87.7Confident11 Ų1158.8 Ų58.85%0.05133%0.326CS..  trans-106.2129.8-174.4-74.375.4000110L246 G248 K310 I311 S329 Y330L246-H327 PolarHBondContact O-NE2 3Å; L246-H327 VanDerWaalsContact O-NE2 3.14Å; G248-H327 WeakPolarHBondContact CA-CE1 3.2Å; G248-H327 VanDerWaalsContact CA-NE2 3.31Å; G248-H327 WeakPolarHBondContact CA-NE2 3.29Å; G248-H327 PolarHBondContact N-CE1 2.97Å; G248-H327 PolarHBondContact N-NE2 3.07Å; G248-H327 VanDerWaalsContact N-NE2 3.11Å; K310-H327 CarbonylContact C-O 3.51Å; K310-H327 WeakPolarHBondContact CA-O 3.15Å; I311-H327 PolarHBondContact N-O 3.13Å; H327-S329 PolarHBondContact CD2-O 3.38Å; H327-Y330 HydrophobicContact CB-CD1 4.5Å; H327-Y330 HydrophobicContact CB-CD2 3.9Å; H327-Y330 HydrophobicContact CB-CE1 4.12Å; H327-Y330 HydrophobicContact CB-CE2 3.44Å; H327-Y330 VanDerWaalsContact CB-CE2 3.44Å; H327-Y330 HydrophobicContact CB-CG 4.39Å; H327-Y330 AromaticContact CD2-CD1 3.55Å; H327-Y330 AromaticContact CD2-CE1 3.54Å; H327-Y330 AromaticContact CD2-CG 3.96Å; H327-Y330 AromaticContact CD2-CZ 3.92Å; H327-Y330 AromaticContact CE1-CE1 3.71Å; H327-Y330 AromaticContact CG-CD1 3.98Å; H327-Y330 AromaticContact CG-CE1 3.55Å; H327-Y330 AromaticContact CG-CE2 3.85Å; H327-Y330 AromaticContact CG-CZ 3.46Å; H327-Y330 VanDerWaalsContact CG-CZ 3.46Å; H327-Y330 AromaticContact ND1-CE1 3.72Å; H327-Y330 AromaticContact ND1-CZ 3.7Å; H327-Y330 AromaticContact NE2-CD1 3.8Å; H327-Y330 AromaticContact NE2-CE1 3.64Å
328Q90.2Very high88.3Confident125 Ų12561.9 Ų61.958%0.58434%0.34SS*.SBendtrans-84.8-30.3166.3-68.9173.1-30.700111.1G308 Q309 I311G308-Q328 PolarHBondContact O-NE2 2.81Å; Q309-Q328 WeakPolarHBondContact O-CA 3.08Å; I311-Q328 WeakPolarHBondContact CD1-O 3.36Å
329S92.9Very high89Confident31 Ų3156.6 Ų56.622%0.21731%0.306CS..EExtended strand (participates in β ladder)trans-147.6159.316965.80000109.5E300 L301 H327E300-S329 WeakPolarHBondContact OE1-CB 3.41Å; E300-S329 PolarHBondContact OE1-OG 3.37Å; L301-S329 CarbonylContact O-C 3.58Å; L301-S329 VanDerWaalsContact O-CA 3.23Å; L301-S329 WeakPolarHBondContact O-CA 3.34Å; L301-S329 VanDerWaalsContact O-CB 3.28Å; L301-S329 WeakPolarHBondContact O-CB 2.97Å; H327-S329 PolarHBondContact CD2-O 3.38Å
330Y95.5Very high89.9Confident3 Ų353.9 Ų53.91%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-109.7108172.7-74.1-98.2000110I280 E300 L301 I311 A313 H327I280-Y330 HydrophobicContact CD1-CD1 3.49Å; I280-Y330 VanDerWaalsContact CD1-CD1 3.49Å; I280-Y330 HydrophobicContact CD1-CD2 4.13Å; I280-Y330 HydrophobicContact CD1-CE1 3.47Å; I280-Y330 VanDerWaalsContact CD1-CE1 3.47Å; I280-Y330 HydrophobicContact CD1-CE2 4.13Å; I280-Y330 HydrophobicContact CD1-CG 3.83Å; I280-Y330 HydrophobicContact CG1-CD1 4.4Å; I280-Y330 HydrophobicContact CG1-CE1 3.93Å; I280-Y330 HydrophobicContact CG1-CE2 4.17Å; I280-Y330 HydrophobicContact CG2-CD2 4.19Å; I280-Y330 HydrophobicContact CG2-CE2 4Å; E300-Y330 WeakPolarHBondContact CA-O 3.41Å; L301-Y330 PolarHBondContact N-O 3.15Å; L301-Y330 PolarHBondContact O-N 3.38Å; I311-Y330 HydrophobicContact CB-CE2 4.15Å; I311-Y330 HydrophobicContact CD1-CD2 3.89Å; I311-Y330 HydrophobicContact CD1-CE2 4.28Å; I311-Y330 HydrophobicContact CG2-CD2 4.5Å; I311-Y330 HydrophobicContact CG2-CE2 4Å; A313-Y330 HydrophobicContact CB-CE2 4.36Å; A313-Y330 WeakPolarHBondContact CB-OH 3.17Å; H327-Y330 HydrophobicContact CB-CD1 4.5Å; H327-Y330 HydrophobicContact CB-CD2 3.9Å; H327-Y330 HydrophobicContact CB-CE1 4.12Å; H327-Y330 HydrophobicContact CB-CE2 3.44Å; H327-Y330 VanDerWaalsContact CB-CE2 3.44Å; H327-Y330 HydrophobicContact CB-CG 4.39Å; H327-Y330 AromaticContact CD2-CD1 3.55Å; H327-Y330 AromaticContact CD2-CE1 3.54Å; H327-Y330 AromaticContact CD2-CG 3.96Å; H327-Y330 AromaticContact CD2-CZ 3.92Å; H327-Y330 AromaticContact CE1-CE1 3.71Å; H327-Y330 AromaticContact CG-CD1 3.98Å; H327-Y330 AromaticContact CG-CE1 3.55Å; H327-Y330 AromaticContact CG-CE2 3.85Å; H327-Y330 AromaticContact CG-CZ 3.46Å; H327-Y330 VanDerWaalsContact CG-CZ 3.46Å; H327-Y330 AromaticContact ND1-CE1 3.72Å; H327-Y330 AromaticContact ND1-CZ 3.7Å; H327-Y330 AromaticContact NE2-CD1 3.8Å; H327-Y330 AromaticContact NE2-CE1 3.64Å
331T96.3Very high91Very high16 Ų1654.8 Ų54.810%0.09828%0.282CS..EExtended strand (participates in β ladder)trans-85.1125.3168.3-42.50000110L246 W253 V290 Y292 C298 L299L246-T331 PolarHBondContact N-O 3.01Å; W253-T331 HydrophobicContact CH2-CG2 4.05Å; V290-T331 HydrophobicContact CG2-CG2 4.23Å; Y292-T331 HydrophobicContact CD2-CG2 3.91Å; Y292-T331 HydrophobicContact CE2-CG2 4.39Å; C298-T331 HydrophobicContact CB-CG2 4.36Å; L299-T331 WeakPolarHBondContact O-CA 3.26Å
332I97.8Very high91.5Very high1 Ų149.8 Ų49.81%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-132139.6-177.5-54173.4000107.9L243 L244 K245 F258 L265 C298 L299 L301L243-I332 HydrophobicContact CB-CG2 3.62Å; L243-I332 HydrophobicContact CD1-CG2 3.56Å; L243-I332 HydrophobicContact CD2-CG2 4.5Å; L243-I332 HydrophobicContact CG-CG2 4.1Å; L244-I332 CarbonylContact O-C 3.5Å; L244-I332 VanDerWaalsContact O-CA 3.25Å; L244-I332 WeakPolarHBondContact O-CA 3.48Å; L244-I332 WeakPolarHBondContact O-CG2 3.48Å; K245-I332 HydrophobicContact CB-CG1 4.4Å; F258-I332 HydrophobicContact CE1-CD1 4.02Å; F258-I332 HydrophobicContact CZ-CD1 4.22Å; F258-I332 HydrophobicContact CZ-CG2 4.46Å; L265-I332 HydrophobicContact CD2-CD1 3.89Å; C298-I332 CarbonylContact C-O 3.59Å; C298-I332 VanDerWaalsContact CA-O 3.22Å; C298-I332 WeakPolarHBondContact CA-O 3.41Å; L299-I332 HydrophobicContact CD1-CB 3.84Å; L299-I332 HydrophobicContact CD1-CD1 4.15Å; L299-I332 HydrophobicContact CD1-CG1 4.32Å; L299-I332 HydrophobicContact CG-CB 4.17Å; L299-I332 PolarHBondContact N-O 3.09Å; L299-I332 PolarHBondContact O-N 3Å; L301-I332 HydrophobicContact CD1-CD1 4.26Å
333C97.4Very high92.3Very high3 Ų345.8 Ų45.82%0.0225%0.247CC..EExtended strand (participates in β ladder)trans-126135.5178.1-47.80000110.7L244 W253 Y297 C298L244-C333 PolarHBondContact N-O 3Å; L244-C333 PolarHBondContact O-N 3.3Å; W253-C333 WeakPolarHBondContact CH2-SG 3.15Å; W253-C333 HydrophobicContact CZ3-CB 4.4Å; W253-C333 VanDerWaalsContact CZ3-SG 3.56Å; Y297-C333 WeakPolarHBondContact O-CA 3.42Å; C298-C333 HydrophobicContact CB-CB 4.11Å; C298-C333 WeakPolarHBondContact CB-SG 3.39Å; C298-C333 WeakPolarHBondContact SG-CB 3.31Å; C298-C333 CovalentContact SG-SG 2.05Å; C298-C333 PolarHBondContact SG-SG 3.4Å
334A96.6Very high92.6Very high10 Ų1044 Ų448%0.08324%0.237CC..  trans-90.6173.4177.300000111.6L243 Y297 E339 R340L243-A334 HydrophobicContact CD2-CB 3.7Å; Y297-A334 PolarHBondContact O-N 3.36Å; A334-E339 HydrophobicContact CB-CB 3.97Å; A334-E339 HydrophobicContact CB-CG 4.11Å; A334-R340 HydrophobicContact CB-CB 3.84Å
335S93.8Very high92.8Very high96 Ų9644.1 Ų44.167%0.67124%0.237SC*.SBendtrans-80.6-25.5178.168.30000113.2Y297 E339Y297-S335 WeakPolarHBondContact CE2-O 3.37Å; S335-E339 VanDerWaalsContact CB-OE2 3.28Å; S335-E339 WeakPolarHBondContact CB-OE2 3.32Å; S335-E339 PolarHBondContact N-OE2 3.43Å; S335-E339 PolarHBondContact OG-OE2 3.19Å
336S95.4Very high93Very high32 Ų3244.9 Ų44.922%0.22424%0.243CC..SBendtrans-140.116817689.50000112.4Y297 E338 E339 R340Y297-S336 WeakPolarHBondContact CB-O 3.46Å; Y297-S336 VanDerWaalsContact CG-C 3.47Å; S336-E338 WeakPolarHBondContact CB-OE2 3.13Å; S336-E338 PolarHBondContact OG-N 2.94Å; S336-E338 PolarHBondContact OG-OE2 3.43Å; S336-E339 PolarHBondContact O-N 3.29Å; S336-E339 PolarHBondContact OG-N 2.84Å; S336-E339 VanDerWaalsContact OG-N 3.08Å; S336-R340 PolarHBondContact O-N 2.91Å; S336-R340 VanDerWaalsContact O-N 3.08Å
337A94.3Very high93.2Very high25 Ų2539.4 Ų39.421%0.20722%0.219CC..Hα-helixtrans-65-42.5175.200000111.2Y297 E339 R340 D341Y297-A337 HydrophobicContact CD1-CB 3.75Å; Y297-A337 HydrophobicContact CE1-CB 3.9Å; A337-E339 VanDerWaalsContact C-N 3.31Å; A337-E339 PolarHBondContact O-N 2.86Å; A337-R340 WeakPolarHBondContact O-CB 3.12Å; A337-R340 PolarHBondContact O-N 3.49Å; A337-D341 WeakPolarHBondContact O-CB 3.38Å; A337-D341 PolarHBondContact O-N 3.3Å
338E92.5Very high93.2Very high140 Ų14044.5 Ų44.565%0.65424%0.238SC*.Hα-helixtrans-61.2-42.3177.4-54.973.2-158.400110.9S336 D341 S342S336-E338 WeakPolarHBondContact CB-OE2 3.13Å; S336-E338 PolarHBondContact OG-N 2.94Å; S336-E338 PolarHBondContact OG-OE2 3.43Å; E338-D341 PolarHBondContact O-N 3.4Å; E338-S342 VanDerWaalsContact O-CB 3.26Å; E338-S342 WeakPolarHBondContact O-CB 3.25Å; E338-S342 PolarHBondContact O-N 2.9Å
339E92.2Very high92.4Very high34 Ų3440.9 Ų40.916%0.15923%0.229CC..Hα-helixtrans-65.4-43.7178.2-166.1-171.2-167.100111.2R239 A334 S335 S336 A337 W343R239-E339 PolarHBondContact NH1-O 2.9Å; R239-E339 VanDerWaalsContact NH2-CG 3.31Å; R239-E339 PolarHBondContact NH2-O 3.25Å; A334-E339 HydrophobicContact CB-CB 3.97Å; A334-E339 HydrophobicContact CB-CG 4.11Å; S335-E339 VanDerWaalsContact CB-OE2 3.28Å; S335-E339 WeakPolarHBondContact CB-OE2 3.32Å; S335-E339 PolarHBondContact N-OE2 3.43Å; S335-E339 PolarHBondContact OG-OE2 3.19Å; S336-E339 PolarHBondContact O-N 3.29Å; S336-E339 PolarHBondContact OG-N 2.84Å; S336-E339 VanDerWaalsContact OG-N 3.08Å; A337-E339 VanDerWaalsContact C-N 3.31Å; A337-E339 PolarHBondContact O-N 2.86Å; E339-W343 PolarHBondContact O-N 3.09Å; E339-W343 VanDerWaalsContact O-N 3.1Å
340R96.6Very high91.5Very high23 Ų2339.9 Ų39.99%0.08722%0.222CC..Hα-helixtrans-59.6-50.1174.8175.8-155.963.2-169.14.2111E289 L299 A334 S336 A337 S342 W343 I344E289-R340 IonicContact OE1-CZ 2.88Å; E289-R340 IonicContact OE1-NH1 3.29Å; E289-R340 PolarHBondContact OE1-NH1 2.77Å; E289-R340 IonicContact OE1-NH2 2.87Å; E289-R340 IonicContact OE2-CZ 3.45Å; E289-R340 IonicContact OE2-NH1 2.73Å; E289-R340 PolarHBondContact OE2-NH1 3.36Å; E289-R340 IonicContact OE2-NH2 3.92Å; E289-R340 PolarHBondContact OE2-NH2 2.99Å; L299-R340 HydrophobicContact CB-CG 4.35Å; L299-R340 HydrophobicContact CD2-CG 4.35Å; A334-R340 HydrophobicContact CB-CB 3.84Å; S336-R340 PolarHBondContact O-N 2.91Å; S336-R340 VanDerWaalsContact O-N 3.08Å; A337-R340 WeakPolarHBondContact O-CB 3.12Å; A337-R340 PolarHBondContact O-N 3.49Å; R340-S342 VanDerWaalsContact C-N 3.33Å; R340-S342 PolarHBondContact O-N 3.37Å; R340-W343 WeakPolarHBondContact O-CA 3.31Å; R340-W343 WeakPolarHBondContact O-CB 3.42Å; R340-W343 PolarHBondContact O-N 3.11Å; R340-I344 HydrophobicContact CG-CD1 4.02Å; R340-I344 HydrophobicContact CG-CG1 4.47Å; R340-I344 WeakPolarHBondContact O-CG1 3.44Å; R340-I344 PolarHBondContact O-N 3.16Å
341D94.1Very high90.5Very high68 Ų6842.2 Ų42.236%0.36423%0.234SC..Hα-helixtrans-64.6-42-175.1-68-15.4000110.5A337 E338 W343 I344 E345A337-D341 WeakPolarHBondContact O-CB 3.38Å; A337-D341 PolarHBondContact O-N 3.3Å; E338-D341 PolarHBondContact O-N 3.4Å; D341-W343 PolarHBondContact O-N 3.1Å; D341-I344 PolarHBondContact O-N 2.97Å; D341-E345 WeakPolarHBondContact O-CB 3.26Å; D341-E345 WeakPolarHBondContact O-CG 3.31Å; D341-E345 PolarHBondContact O-N 2.88Å
342S90.6Very high88.6Confident55 Ų5546.4 Ų46.439%0.38526%0.26SS..Hα-helixtrans-59.2-29170.31760000112.5R239 E338 R340 A346R239-S342 PolarHBondContact NH1-O 2.88Å; R239-S342 PolarHBondContact NH1-OG 3.09Å; R239-S342 VanDerWaalsContact NH1-OG 3.09Å; E338-S342 VanDerWaalsContact O-CB 3.26Å; E338-S342 WeakPolarHBondContact O-CB 3.25Å; E338-S342 PolarHBondContact O-N 2.9Å; R340-S342 VanDerWaalsContact C-N 3.33Å; R340-S342 PolarHBondContact O-N 3.37Å; S342-A346 VanDerWaalsContact O-CB 3.31Å; S342-A346 WeakPolarHBondContact O-CB 3.27Å; S342-A346 PolarHBondContact O-N 2.95Å
343W94.1Very high86.4Confident1 Ų152.3 Ų52.30%0.00429%0.286CS..Hα-helixtrans-81.2-40.1-176.8-91.5111.5000108.8R239 L243 F258 L260 L265 L299 E339 R340 D341 A346 I347R239-W343 HydrophobicContact CB-CE3 4.35Å; R239-W343 HydrophobicContact CB-CH2 4.12Å; R239-W343 HydrophobicContact CB-CZ3 3.93Å; R239-W343 HydrophobicContact CG-CD2 4.32Å; R239-W343 HydrophobicContact CG-CE3 4.21Å; R239-W343 HydrophobicContact CG-CH2 3.84Å; R239-W343 HydrophobicContact CG-CZ2 3.94Å; R239-W343 HydrophobicContact CG-CZ3 3.98Å; R239-W343 VanDerWaalsContact CZ-CD1 3.42Å; R239-W343 VanDerWaalsContact NH1-CB 3.3Å; L243-W343 HydrophobicContact CD1-CD2 3.81Å; L243-W343 HydrophobicContact CD1-CE3 4.35Å; L243-W343 HydrophobicContact CD1-CG 4.08Å; L243-W343 HydrophobicContact CD1-CZ2 3.99Å; L243-W343 HydrophobicContact CD2-CG 4.48Å; L243-W343 HydrophobicContact CG-CZ2 4.35Å; F258-W343 HydrophobicContact CB-CH2 3.74Å; F258-W343 HydrophobicContact CB-CZ2 4.15Å; F258-W343 HydrophobicContact CB-CZ3 4.41Å; L260-W343 HydrophobicContact CB-CZ3 3.94Å; L265-W343 HydrophobicContact CD1-CZ3 4.03Å; L299-W343 HydrophobicContact CD2-CB 3.75Å; E339-W343 PolarHBondContact O-N 3.09Å; E339-W343 VanDerWaalsContact O-N 3.1Å; R340-W343 WeakPolarHBondContact O-CA 3.31Å; R340-W343 WeakPolarHBondContact O-CB 3.42Å; R340-W343 PolarHBondContact O-N 3.11Å; D341-W343 PolarHBondContact O-N 3.1Å; W343-A346 PolarHBondContact O-N 3.14Å; W343-I347 HydrophobicContact CE3-CD1 4.35Å; W343-I347 VanDerWaalsContact O-CB 3.25Å; W343-I347 WeakPolarHBondContact O-CB 3.46Å; W343-I347 VanDerWaalsContact O-CD1 3.32Å; W343-I347 WeakPolarHBondContact O-CD1 3.44Å; W343-I347 WeakPolarHBondContact O-CG1 3.28Å; W343-I347 PolarHBondContact O-N 2.81Å
344I94.6Very high84Confident9 Ų955.4 Ų55.45%0.04630%0.302CS..Hα-helixtrans-59-48.4171.6-67.3176.9000110V287 E289 L299 R340 D341 R348V287-I344 HydrophobicContact CG1-CG2 4.15Å; V287-I344 HydrophobicContact CG2-CG1 4.09Å; E289-I344 HydrophobicContact CB-CD1 4.15Å; L299-I344 HydrophobicContact CB-CD1 4.01Å; L299-I344 HydrophobicContact CB-CG1 3.87Å; L299-I344 HydrophobicContact CD2-CG1 3.94Å; R340-I344 HydrophobicContact CG-CD1 4.02Å; R340-I344 HydrophobicContact CG-CG1 4.47Å; R340-I344 WeakPolarHBondContact O-CG1 3.44Å; R340-I344 PolarHBondContact O-N 3.16Å; D341-I344 PolarHBondContact O-N 2.97Å; I344-R348 VanDerWaalsContact CG2-CZ 3.41Å; I344-R348 WeakPolarHBondContact O-CB 3.47Å; I344-R348 VanDerWaalsContact O-CG 3.26Å; I344-R348 WeakPolarHBondContact O-CG 3.35Å; I344-R348 PolarHBondContact O-N 2.55Å
345E89.6Confident81.4Confident126 Ų12658.7 Ų58.759%0.58932%0.323SS*.Hα-helixtrans-58.8-52.1177-75.2-77.9120.700111.6D341 I347 R348 A349D341-E345 WeakPolarHBondContact O-CB 3.26Å; D341-E345 WeakPolarHBondContact O-CG 3.31Å; D341-E345 PolarHBondContact O-N 2.88Å; E345-I347 PolarHBondContact O-N 2.77Å; E345-R348 PolarHBondContact O-N 3.08Å; E345-A349 WeakPolarHBondContact O-CB 3.37Å; E345-A349 PolarHBondContact O-N 2.68Å
346A84.1Confident79.2Confident17 Ų1755.5 Ų55.514%0.1430%0.297CS..Hα-helixtrans-61.6-43.2-179.700000112.3R239 L260 S342 W343 A349 S350R239-A346 HydrophobicContact CB-CB 4.07Å; L260-A346 VanDerWaalsContact CD2-C 3.49Å; L260-A346 HydrophobicContact CD2-CB 3.78Å; L260-A346 WeakPolarHBondContact CD2-O 3.22Å; S342-A346 VanDerWaalsContact O-CB 3.31Å; S342-A346 WeakPolarHBondContact O-CB 3.27Å; S342-A346 PolarHBondContact O-N 2.95Å; W343-A346 PolarHBondContact O-N 3.14Å; A346-A349 PolarHBondContact O-N 3.35Å; A346-S350 WeakPolarHBondContact O-CB 3.47Å; A346-S350 PolarHBondContact O-N 2.97Å
347I89.3Confident77.2Confident2 Ų260.3 Ų60.31%0.0131%0.311CS..Hα-helixtrans-65.6-41.8177.5-69.6164.9000110.7L260 L282 V287 L301 W343 E345 A349 S350 I351L260-I347 HydrophobicContact CD1-CG1 4.32Å; L260-I347 HydrophobicContact CD2-CG1 4Å; L282-I347 HydrophobicContact CD1-CG2 4.22Å; V287-I347 HydrophobicContact CB-CG2 3.81Å; V287-I347 HydrophobicContact CG1-CB 4.04Å; V287-I347 HydrophobicContact CG1-CG2 3.65Å; V287-I347 HydrophobicContact CG2-CD1 4.45Å; V287-I347 HydrophobicContact CG2-CG2 4.32Å; L301-I347 HydrophobicContact CD2-CD1 4.32Å; L301-I347 HydrophobicContact CD2-CG2 3.86Å; W343-I347 HydrophobicContact CE3-CD1 4.35Å; W343-I347 VanDerWaalsContact O-CB 3.25Å; W343-I347 WeakPolarHBondContact O-CB 3.46Å; W343-I347 VanDerWaalsContact O-CD1 3.32Å; W343-I347 WeakPolarHBondContact O-CD1 3.44Å; W343-I347 WeakPolarHBondContact O-CG1 3.28Å; W343-I347 PolarHBondContact O-N 2.81Å; E345-I347 PolarHBondContact O-N 2.77Å; I347-A349 VanDerWaalsContact C-N 3.34Å; I347-S350 PolarHBondContact O-N 2.85Å; I347-I351 HydrophobicContact CG2-CD1 3.62Å; I347-I351 HydrophobicContact CG2-CG1 4.39Å; I347-I351 WeakPolarHBondContact O-CB 3.38Å; I347-I351 WeakPolarHBondContact O-CD1 3.25Å; I347-I351 WeakPolarHBondContact O-CG1 3.35Å; I347-I351 PolarHBondContact O-N 3.48Å
348R88.5Confident75.3Confident118 Ų11861.9 Ų61.945%0.44532%0.316SS..Hα-helixtrans-61.9-43.6174-76.7175.2-179163.80.1111.3V287 I344 E345 I351 T352V287-R348 HydrophobicContact CG1-CG 3.51Å; V287-R348 PolarHBondContact O-NH2 3.47Å; I344-R348 VanDerWaalsContact CG2-CZ 3.41Å; I344-R348 WeakPolarHBondContact O-CB 3.47Å; I344-R348 VanDerWaalsContact O-CG 3.26Å; I344-R348 WeakPolarHBondContact O-CG 3.35Å; I344-R348 PolarHBondContact O-N 2.55Å; E345-R348 PolarHBondContact O-N 3.08Å; R348-I351 PolarHBondContact O-N 2.82Å; R348-T352 WeakPolarHBondContact O-CB 3.48Å; R348-T352 WeakPolarHBondContact O-CG2 3.49Å; R348-T352 PolarHBondContact O-N 3Å; R348-T352 PolarHBondContact O-OG1 2.9Å
349A73.6Confident73.7Confident48 Ų4858.4 Ų58.440%0.39730%0.301SS..Hα-helixtrans-60.1-49.617700000110.7E345 A346 I347 I351 T352 K353E345-A349 WeakPolarHBondContact O-CB 3.37Å; E345-A349 PolarHBondContact O-N 2.68Å; A346-A349 PolarHBondContact O-N 3.35Å; I347-A349 VanDerWaalsContact C-N 3.34Å; A349-I351 VanDerWaalsContact C-N 3.33Å; A349-I351 PolarHBondContact O-N 2.89Å; A349-T352 WeakPolarHBondContact CA-OG1 3.28Å; A349-T352 CarbonylContact O-C 3.56Å; A349-T352 PolarHBondContact O-N 2.94Å; A349-T352 PolarHBondContact O-OG1 3.31Å; A349-K353 PolarHBondContact O-N 2.93Å; A349-K353 VanDerWaalsContact O-O 3.06Å
350S75.4Confident72.2Confident10 Ų1057.6 Ų57.67%0.0730%0.299CS..Hα-helixtrans-61.2-38.4177.6-158.90000112.4D238 N263 A346 I347 T352D238-S350 WeakPolarHBondContact OD2-CB 3.4Å; D238-S350 PolarHBondContact OD2-OG 2.81Å; N263-S350 PolarHBondContact OD1-O 3.29Å; N263-S350 VanDerWaalsContact OD1-O 3.07Å; A346-S350 WeakPolarHBondContact O-CB 3.47Å; A346-S350 PolarHBondContact O-N 2.97Å; I347-S350 PolarHBondContact O-N 2.85Å; S350-T352 VanDerWaalsContact C-N 3.27Å; S350-T352 PolarHBondContact O-N 3.13Å
351I73.6Confident70.6Confident52 Ų5257.7 Ų57.727%0.26730%0.303SS..Hα-helixtrans-66.7-26.6173.7-68.5164.9000112.4N263 L282 I347 R348 A349N263-I351 WeakPolarHBondContact OD1-CA 3.26Å; L282-I351 HydrophobicContact CB-CD1 4.35Å; L282-I351 HydrophobicContact CB-CG1 3.84Å; L282-I351 HydrophobicContact CD1-CG1 4.34Å; I347-I351 HydrophobicContact CG2-CD1 3.62Å; I347-I351 HydrophobicContact CG2-CG1 4.39Å; I347-I351 WeakPolarHBondContact O-CB 3.38Å; I347-I351 WeakPolarHBondContact O-CD1 3.25Å; I347-I351 WeakPolarHBondContact O-CG1 3.35Å; I347-I351 PolarHBondContact O-N 3.48Å; R348-I351 PolarHBondContact O-N 2.82Å; A349-I351 VanDerWaalsContact C-N 3.33Å; A349-I351 PolarHBondContact O-N 2.89Å
352T57Low69.4Low104 Ų10458 Ų5864%0.63831%0.307SS*.Hα-helixtrans-108.2-18.7-172.852.50000115.1R348 A349 S350R348-T352 WeakPolarHBondContact O-CB 3.48Å; R348-T352 WeakPolarHBondContact O-CG2 3.49Å; R348-T352 PolarHBondContact O-N 3Å; R348-T352 PolarHBondContact O-OG1 2.9Å; A349-T352 WeakPolarHBondContact CA-OG1 3.28Å; A349-T352 CarbonylContact O-C 3.56Å; A349-T352 PolarHBondContact O-N 2.94Å; A349-T352 PolarHBondContact O-OG1 3.31Å; S350-T352 VanDerWaalsContact C-N 3.27Å; S350-T352 PolarHBondContact O-N 3.13Å
353K50.5Low68.6Low125 Ų12557.5 Ų57.554%0.54330%0.297SS..  trans-156.1127.3-175.9-72.5-169.2171.9177.10110.4A349 P355 D358A349-K353 PolarHBondContact O-N 2.93Å; A349-K353 VanDerWaalsContact O-O 3.06Å; K353-P355 HydrophobicContact CB-CG 4.43Å; K353-D358 WeakPolarHBondContact CG-OD2 3.33Å
354D47.2Very low67.5Low69 Ų6960.2 Ų60.237%0.36931%0.309SS..  trans-96.8108.2139.8169.4-18.6000104.7F356 Y357 D358D354-F356 PolarHBondContact O-N 3.21Å; D354-F356 WeakPolarHBondContact OD1-CA 3.45Å; D354-F356 WeakPolarHBondContact OD1-CB 3.37Å; D354-F356 PolarHBondContact OD1-N 2.96Å; D354-Y357 VanDerWaalsContact CG-N 3.34Å; D354-Y357 PolarHBondContact O-N 2.9Å; D354-Y357 PolarHBondContact OD1-N 2.76Å; D354-Y357 VanDerWaalsContact OD2-CB 3.29Å; D354-Y357 WeakPolarHBondContact OD2-CB 3.3Å; D354-D358 WeakPolarHBondContact O-CA 3.45Å; D354-D358 WeakPolarHBondContact O-CB 3.23Å; D354-D358 VanDerWaalsContact O-CG 3.22Å; D354-D358 PolarHBondContact O-N 3.47Å
355P42Very low66.4Low79 Ų7966.2 Ų66.251%0.51334%0.335SS..Hα-helixtrans-59.3-26.3-177.8-25.234.6000113.9K353 L359K353-P355 HydrophobicContact CB-CG 4.43Å; P355-L359 WeakPolarHBondContact O-CB 3.46Å; P355-L359 PolarHBondContact O-N 2.95Å
356F47.7Very low65.9Low28 Ų2866.4 Ų66.412%0.12333%0.333CS..Hα-helixtrans-85.1-45-179.5174.2-91.8000111A134 I137 F167 F234 D354 D358 L359 V360A134-F356 HydrophobicContact CB-CB 4.37Å; I137-F356 HydrophobicContact CB-CE2 4.5Å; I137-F356 HydrophobicContact CG2-CE2 3.75Å; F167-F356 HydrophobicContact CD1-CE1 4.18Å; F167-F356 HydrophobicContact CD1-CE2 4.18Å; F167-F356 AromaticContact CD1-CZ 3.37Å; F167-F356 HydrophobicContact CD1-CZ 3.37Å; F167-F356 HydrophobicContact CD2-CZ 4.4Å; F167-F356 HydrophobicContact CE1-CE1 4.33Å; F167-F356 AromaticContact CE1-CE2 3.53Å; F167-F356 HydrophobicContact CE1-CE2 3.53Å; F167-F356 AromaticContact CE1-CZ 3.16Å; F167-F356 HydrophobicContact CE1-CZ 3.16Å; F167-F356 HydrophobicContact CE2-CE2 4.19Å; F167-F356 HydrophobicContact CE2-CZ 4.16Å; F167-F356 HydrophobicContact CG-CZ 4.01Å; F167-F356 AromaticContact CZ-CE2 3.49Å; F167-F356 HydrophobicContact CZ-CE2 3.49Å; F167-F356 VanDerWaalsContact CZ-CE2 3.49Å; F167-F356 AromaticContact CZ-CZ 3.56Å; F167-F356 HydrophobicContact CZ-CZ 3.56Å; F234-F356 HydrophobicContact CE1-CD1 4.49Å; F234-F356 AromaticContact CE1-CE1 3.7Å; F234-F356 HydrophobicContact CE1-CE1 3.7Å; F234-F356 HydrophobicContact CE1-CZ 4.18Å; F234-F356 HydrophobicContact CZ-CE1 4.45Å; D354-F356 PolarHBondContact O-N 3.21Å; D354-F356 WeakPolarHBondContact OD1-CA 3.45Å; D354-F356 WeakPolarHBondContact OD1-CB 3.37Å; D354-F356 PolarHBondContact OD1-N 2.96Å; F356-D358 VanDerWaalsContact C-N 3.26Å; F356-D358 PolarHBondContact O-N 2.82Å; F356-L359 WeakPolarHBondContact O-CB 3.33Å; F356-L359 PolarHBondContact O-N 2.86Å; F356-L359 VanDerWaalsContact O-N 3.15Å; F356-V360 HydrophobicContact CE1-CG2 4.43Å; F356-V360 WeakPolarHBondContact O-CG2 3.46Å; F356-V360 PolarHBondContact O-N 3.44Å
357Y54.2Low65.6Low134 Ų13465.6 Ų65.653%0.52533%0.327SS..Hα-helixtrans-62.2-35.3168.7-172.1-95.8000111.4D354 S361D354-Y357 VanDerWaalsContact CG-N 3.34Å; D354-Y357 PolarHBondContact O-N 2.9Å; D354-Y357 PolarHBondContact OD1-N 2.76Å; D354-Y357 VanDerWaalsContact OD2-CB 3.29Å; D354-Y357 WeakPolarHBondContact OD2-CB 3.3Å; Y357-S361 WeakPolarHBondContact CD1-OG 3.45Å; Y357-S361 WeakPolarHBondContact CE1-OG 3.27Å; Y357-S361 WeakPolarHBondContact O-CA 3.25Å; Y357-S361 WeakPolarHBondContact O-CB 3.47Å; Y357-S361 PolarHBondContact O-N 3.24Å; Y357-S361 PolarHBondContact O-OG 3.42Å
358D54.8Low64.9Low58 Ų5868.5 Ų68.531%0.3134%0.342SS..Hα-helixtrans-64-44.4171.8-82.4-16.4000110.5K353 D354 F356 S361 V362K353-D358 WeakPolarHBondContact CG-OD2 3.33Å; D354-D358 WeakPolarHBondContact O-CA 3.45Å; D354-D358 WeakPolarHBondContact O-CB 3.23Å; D354-D358 VanDerWaalsContact O-CG 3.22Å; D354-D358 PolarHBondContact O-N 3.47Å; F356-D358 VanDerWaalsContact C-N 3.26Å; F356-D358 PolarHBondContact O-N 2.82Å; D358-S361 PolarHBondContact O-N 3.08Å; D358-V362 WeakPolarHBondContact O-CB 3.49Å; D358-V362 WeakPolarHBondContact O-CG2 3.24Å; D358-V362 PolarHBondContact O-N 2.86Å
359L58.8Low64Low66 Ų6668.8 Ų68.835%0.34635%0.352SS..Hα-helixtrans-60-50.4177.3-170.773000111.2D138 P355 F356 R363D138-L359 HydrophobicContact CB-CD2 3.82Å; D138-L359 WeakPolarHBondContact OD1-CD2 3.38Å; P355-L359 WeakPolarHBondContact O-CB 3.46Å; P355-L359 PolarHBondContact O-N 2.95Å; F356-L359 WeakPolarHBondContact O-CB 3.33Å; F356-L359 PolarHBondContact O-N 2.86Å; F356-L359 VanDerWaalsContact O-N 3.15Å; L359-R363 WeakPolarHBondContact O-CB 3.49Å; L359-R363 PolarHBondContact O-N 3.45Å
360V60.2Low63.3Low18 Ų1872.7 Ų72.711%0.10936%0.362CS..Hα-helixtrans-65.9-40.5178.3178.60000111I164 F167 F356 R363 K364I164-V360 HydrophobicContact CG2-CG1 4.11Å; F167-V360 HydrophobicContact CB-CG2 4.48Å; F167-V360 HydrophobicContact CD2-CG2 3.57Å; F167-V360 HydrophobicContact CE2-CG2 3.96Å; F167-V360 HydrophobicContact CG-CG2 4.16Å; F356-V360 HydrophobicContact CE1-CG2 4.43Å; F356-V360 WeakPolarHBondContact O-CG2 3.46Å; F356-V360 PolarHBondContact O-N 3.44Å; V360-R363 PolarHBondContact O-N 2.05Å; V360-K364 WeakPolarHBondContact O-CB 3.23Å; V360-K364 PolarHBondContact O-N 3.13Å
361S62.3Low61.9Low24 Ų2476.7 Ų76.717%0.16839%0.386CS..Hα-helixtrans-70.1-39179.3-67.90000112.7Y357 D358 K365Y357-S361 WeakPolarHBondContact CD1-OG 3.45Å; Y357-S361 WeakPolarHBondContact CE1-OG 3.27Å; Y357-S361 WeakPolarHBondContact O-CA 3.25Å; Y357-S361 WeakPolarHBondContact O-CB 3.47Å; Y357-S361 PolarHBondContact O-N 3.24Å; Y357-S361 PolarHBondContact O-OG 3.42Å; D358-S361 PolarHBondContact O-N 3.08Å; S361-K365 WeakPolarHBondContact O-CB 3.17Å; S361-K365 VanDerWaalsContact O-CG 3.26Å; S361-K365 WeakPolarHBondContact O-CG 3.42Å; S361-K365 PolarHBondContact O-N 2.87Å
362V70.1Confident60.2Low75 Ų7579 Ų7946%0.45541%0.405SS..Hα-helixtrans-64.8-44.7174.5167.10000109.5D358 K365 K366D358-V362 WeakPolarHBondContact O-CB 3.49Å; D358-V362 WeakPolarHBondContact O-CG2 3.24Å; D358-V362 PolarHBondContact O-N 2.86Å; V362-K365 PolarHBondContact O-N 3.45Å; V362-K366 WeakPolarHBondContact O-CG 3.48Å; V362-K366 PolarHBondContact O-N 3Å
363R72.9Confident59.1Low44 Ų4483.5 Ų83.517%0.16642%0.418CS..Hα-helixtrans-64.9-45.1176.9-154.9170.7-166168.5-2.1111.3E142 D160 I164 L359 V360 K365 K366 V367E142-R363 IonicContact OE1-CZ 3.79Å; E142-R363 IonicContact OE1-NH2 3.42Å; E142-R363 PolarHBondContact OE1-NH2 3.48Å; E142-R363 IonicContact OE2-CZ 2.83Å; E142-R363 IonicContact OE2-NH1 3.85Å; E142-R363 PolarHBondContact OE2-NH1 3.28Å; E142-R363 IonicContact OE2-NH2 3.09Å; E142-R363 PolarHBondContact OE2-NH2 3.13Å; D160-R363 VanDerWaalsContact CG-NE 3.33Å; D160-R363 IonicContact OD1-CZ 2.77Å; D160-R363 IonicContact OD1-NE 3.42Å; D160-R363 PolarHBondContact OD1-NE 3.15Å; D160-R363 IonicContact OD1-NH2 3.36Å; D160-R363 PolarHBondContact OD1-NH2 3.22Å; D160-R363 IonicContact OD2-NE 3.43Å; I164-R363 HydrophobicContact CD1-CB 4.46Å; I164-R363 HydrophobicContact CD1-CG 4.44Å; L359-R363 WeakPolarHBondContact O-CB 3.49Å; L359-R363 PolarHBondContact O-N 3.45Å; V360-R363 PolarHBondContact O-N 2.05Å; R363-K365 PolarHBondContact O-N 3.02Å; R363-K366 WeakPolarHBondContact O-CB 3.22Å; R363-K366 PolarHBondContact O-N 3.37Å; R363-K366 VanDerWaalsContact O-N 3.09Å; R363-V367 WeakPolarHBondContact O-CG2 3.17Å; R363-V367 PolarHBondContact O-N 2.64Å
364K71.3Confident58.5Low59 Ų5988.2 Ų88.226%0.25745%0.45SS..Hα-helixtrans-57.9-43.9173.9-173.1172.5-176173.20112.3I164 M193 V360 K366 V367 I368I164-K364 HydrophobicContact CD1-CB 4.12Å; I164-K364 HydrophobicContact CG2-CB 4.45Å; I164-K364 HydrophobicContact CG2-CD 4.43Å; M193-K364 PolarHBondContact O-NZ 3.41Å; V360-K364 WeakPolarHBondContact O-CB 3.23Å; V360-K364 PolarHBondContact O-N 3.13Å; K364-K366 PolarHBondContact O-N 3.31Å; K364-V367 PolarHBondContact O-N 3.04Å; K364-I368 HydrophobicContact CD-CD1 4.47Å; K364-I368 HydrophobicContact CG-CD1 3.72Å; K364-I368 HydrophobicContact CG-CG1 4.46Å; K364-I368 WeakPolarHBondContact O-CB 3.15Å; K364-I368 VanDerWaalsContact O-CG1 3.26Å; K364-I368 WeakPolarHBondContact O-CG1 3.49Å; K364-I368 PolarHBondContact O-N 3.27Å
365K72.1Confident59.1Low135 Ų13589.2 Ų89.259%0.58745%0.454SS*.Hα-helixtrans-62-40.2174.4-77.3173.6-176.8175.80112.3S361 V362 R363 N369S361-K365 WeakPolarHBondContact O-CB 3.17Å; S361-K365 VanDerWaalsContact O-CG 3.26Å; S361-K365 WeakPolarHBondContact O-CG 3.42Å; S361-K365 PolarHBondContact O-N 2.87Å; V362-K365 PolarHBondContact O-N 3.45Å; R363-K365 PolarHBondContact O-N 3.02Å; K365-N369 WeakPolarHBondContact O-CB 3.09Å; K365-N369 PolarHBondContact O-N 3.48Å; K365-N369 PolarHBondContact O-ND2 3Å
366K78.1Confident59.9Low129 Ų12989.7 Ų89.756%0.56145%0.451SS*.Hα-helixtrans-63.3-45.9176-74.3177.8179.5-1790111.8V362 R363 K364 N369 Q370V362-K366 WeakPolarHBondContact O-CG 3.48Å; V362-K366 PolarHBondContact O-N 3Å; R363-K366 WeakPolarHBondContact O-CB 3.22Å; R363-K366 PolarHBondContact O-N 3.37Å; R363-K366 VanDerWaalsContact O-N 3.09Å; K364-K366 PolarHBondContact O-N 3.31Å; K366-N369 PolarHBondContact O-N 2.66Å; K366-Q370 VanDerWaalsContact O-CG 3.27Å; K366-Q370 WeakPolarHBondContact O-CG 3.48Å; K366-Q370 PolarHBondContact O-N 3.46Å
367V77.9Confident60.6Low1 Ų193.2 Ų93.21%0.00647%0.469CS..Hα-helixtrans-63-43.6179.3173.10000111.5D160 I164 I197 R363 K364D160-V367 HydrophobicContact CB-CG2 3.61Å; I164-V367 HydrophobicContact CD1-CB 4.49Å; I164-V367 HydrophobicContact CD1-CG2 3.98Å; I197-V367 WeakPolarHBondContact O-CG1 3.28Å; R363-V367 WeakPolarHBondContact O-CG2 3.17Å; R363-V367 PolarHBondContact O-N 2.64Å; K364-V367 PolarHBondContact O-N 3.04Å
368I74.9Confident61Low63 Ų6390.8 Ų90.832%0.32347%0.465SS..Hα-helixtrans-70-36.4179.9-66.6168.8000111.7K364 T371K364-I368 HydrophobicContact CD-CD1 4.47Å; K364-I368 HydrophobicContact CG-CD1 3.72Å; K364-I368 HydrophobicContact CG-CG1 4.46Å; K364-I368 WeakPolarHBondContact O-CB 3.15Å; K364-I368 VanDerWaalsContact O-CG1 3.26Å; K364-I368 WeakPolarHBondContact O-CG1 3.49Å; K364-I368 PolarHBondContact O-N 3.27Å; I368-T371 PolarHBondContact O-OG1 3.18Å
369N69.9Low61.4Low123 Ų12392.8 Ų92.866%0.65848%0.475SS*.THydrogen-bonded Turntrans-88.21.4-174.8-65.9-13.1000114.5K365 K366 T371K365-N369 WeakPolarHBondContact O-CB 3.09Å; K365-N369 PolarHBondContact O-N 3.48Å; K365-N369 PolarHBondContact O-ND2 3Å; K366-N369 PolarHBondContact O-N 2.66Å; N369-T371 PolarHBondContact O-N 3.23Å
370Q58.1Low61.6Low131 Ų13194.6 Ų94.661%0.61248%0.484SS*.  trans-81.914.8179.5-90.6177.45.600114.3K366K366-Q370 VanDerWaalsContact O-CG 3.27Å; K366-Q370 WeakPolarHBondContact O-CG 3.48Å; K366-Q370 PolarHBondContact O-N 3.46Å
371T45.4Very low61.7Low93 Ų93100.1 Ų100.157%0.57151%0.511SS*.  trans-65.6129.2174.7-18.20000110I368 N369 Q373I368-T371 PolarHBondContact O-OG1 3.18Å; N369-T371 PolarHBondContact O-N 3.23Å; T371-Q373 PolarHBondContact O-N 3.15Å
372P39.7Very low61.6Low102 Ų102105.9 Ų105.966%0.66254%0.537SS*.  trans-58.7127.7163-14.428000107.9D374P372-D374 VanDerWaalsContact C-N 3.35Å; P372-D374 PolarHBondContact O-N 2.73Å; P372-D374 VanDerWaalsContact O-N 3.12Å
373Q34.1Very low60.9Low197 Ų197108.5 Ų108.592%0.92154%0.544SS*.  trans-69.2102.3158-76.5-177.4-29.400105.9T371T371-Q373 PolarHBondContact O-N 3.15Å
374D36.6Very low59.8Low225 Ų225114.4 Ų114.4100%1.20358%0.578SS**  trans-61.60167-77.5-22.7000111.5P372P372-D374 VanDerWaalsContact C-N 3.35Å; P372-D374 PolarHBondContact O-N 2.73Å; P372-D374 VanDerWaalsContact O-N 3.12Å

Retrieved 374 of 374 residues in 258 ms (Link to these results)

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