A0A077ZAL2_TRITR Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZAL2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 413 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
1M52.3Low58.2Low213 Ų213140.7 Ų140.7100%1.04967%0.669SS**  0-410-122.2171.580.600113D3 R4M1-D3 PolarHBondContact O-N 2.93Å; M1-R4 PolarHBondContact O-N 3.47Å
2K54Low58.8Low187 Ų187137.3 Ų137.381%0.81366%0.658SS**Hα-helixtrans-59.6-39.4174.8-89.5177.7171.9176.90114R4 L5 M6K2-R4 PolarHBondContact O-N 2.97Å; K2-L5 PolarHBondContact O-N 2.76Å; K2-M6 PolarHBondContact O-N 3.01Å
3D57.9Low59.3Low134 Ų134135.9 Ų135.972%0.71766%0.655SS**Hα-helixtrans-68.1-33.6-177.4-53.3-35.6000113.3M1 L5 M6 L7M1-D3 PolarHBondContact O-N 2.93Å; D3-L5 VanDerWaalsContact C-N 3.34Å; D3-L5 PolarHBondContact O-N 3.47Å; D3-M6 PolarHBondContact O-N 3.14Å; D3-L7 PolarHBondContact O-N 3.27Å; D3-L7 VanDerWaalsContact O-N 3.08Å
4R57Low60Low220 Ų220133.8 Ų133.883%0.8365%0.647SS**Hα-helixtrans-68.2-33175.5-71.4-167.5179.4-1620.5112.7M1 K2 A8M1-R4 PolarHBondContact O-N 3.47Å; K2-R4 PolarHBondContact O-N 2.97Å; R4-A8 PolarHBondContact O-N 3.42Å; R4-A8 VanDerWaalsContact O-N 3.16Å
5L53.3Low60.4Low117 Ų117131.6 Ų131.661%0.61364%0.64SS**Hα-helixtrans-75.1-34.6179.6-149.384.9000111.8K2 D3 R9K2-L5 PolarHBondContact O-N 2.76Å; D3-L5 VanDerWaalsContact C-N 3.34Å; D3-L5 PolarHBondContact O-N 3.47Å; L5-R9 PolarHBondContact O-N 3Å
6M59.4Low60.7Low124 Ų124130.4 Ų130.461%0.61164%0.637SS**Hα-helixtrans-70.3-41175.3-149.7-158.2-148.200111.1K2 D3 A8 R9 H10K2-M6 PolarHBondContact O-N 3.01Å; D3-M6 PolarHBondContact O-N 3.14Å; M6-A8 VanDerWaalsContact C-N 3.34Å; M6-A8 PolarHBondContact O-N 3.45Å; M6-R9 PolarHBondContact O-N 3.46Å; M6-H10 PolarHBondContact O-CD2 3.37Å; M6-H10 VanDerWaalsContact O-CD2 3.31Å; M6-H10 PolarHBondContact O-N 3.38Å
7L60.5Low60.9Low116 Ų116124.9 Ų124.961%0.60762%0.621SS**Hα-helixtrans-60.4-42.4175.1-134.385.6000111.9D3 R9 H10 L11D3-L7 PolarHBondContact O-N 3.27Å; D3-L7 VanDerWaalsContact O-N 3.08Å; L7-R9 PolarHBondContact O-N 3.38Å; L7-H10 PolarHBondContact O-N 3.02Å; L7-L11 WeakPolarHBondContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CD1 3.3Å; L7-L11 PolarHBondContact O-N 3.36Å
8A60.1Low61.3Low51 Ų51123 Ų12342%0.42161%0.613SS.*Hα-helixtrans-64.9-37.4177.100000112.8R4 M6 N12R4-A8 PolarHBondContact O-N 3.42Å; R4-A8 VanDerWaalsContact O-N 3.16Å; M6-A8 VanDerWaalsContact C-N 3.34Å; M6-A8 PolarHBondContact O-N 3.45Å; A8-N12 PolarHBondContact O-N 3.27Å
9R56.6Low61.8Low177 Ų177121.9 Ų121.967%0.66861%0.608SS**Hα-helixtrans-68.6-41.4174.7-78.1-176.8172.7-173.8-2112.1L5 M6 L7 N12 L13L5-R9 PolarHBondContact O-N 3Å; M6-R9 PolarHBondContact O-N 3.46Å; L7-R9 PolarHBondContact O-N 3.38Å; R9-N12 PolarHBondContact O-N 3.02Å; R9-L13 PolarHBondContact O-N 3.21Å
10H64.5Low62Low100 Ų100120.4 Ų120.446%0.46361%0.606SS.*Hα-helixtrans-65.4-41174.6-78.8-59.2000111.9M6 L7 N12 L13 I14M6-H10 PolarHBondContact O-CD2 3.37Å; M6-H10 VanDerWaalsContact O-CD2 3.31Å; M6-H10 PolarHBondContact O-N 3.38Å; L7-H10 PolarHBondContact O-N 3.02Å; H10-N12 PolarHBondContact O-N 3.2Å; H10-L13 PolarHBondContact O-N 3.49Å; H10-I14 WeakPolarHBondContact O-CB 3.42Å; H10-I14 WeakPolarHBondContact O-CD1 3.04Å; H10-I14 VanDerWaalsContact O-CG1 3.22Å; H10-I14 WeakPolarHBondContact O-CG1 3.37Å; H10-I14 PolarHBondContact O-N 3.26Å
11L65Low61.9Low109 Ų109118.5 Ų118.557%0.57160%0.6SS**Hα-helixtrans-61-43.6173.5-105.9105.1000112.1L7 L13 I14 L15L7-L11 WeakPolarHBondContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CD1 3.3Å; L7-L11 PolarHBondContact O-N 3.36Å; L11-L13 PolarHBondContact O-N 2.89Å; L11-I14 PolarHBondContact O-N 3.2Å; L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 PolarHBondContact O-N 2.64Å
12N65.2Low62.4Low99 Ų99112.9 Ų112.953%0.52957%0.574SS.*Hα-helixtrans-65-38177.9-81.9-13000112.5A8 R9 H10 L15 L16A8-N12 PolarHBondContact O-N 3.27Å; R9-N12 PolarHBondContact O-N 3.02Å; H10-N12 PolarHBondContact O-N 3.2Å; N12-L15 PolarHBondContact O-N 3.26Å; N12-L16 WeakPolarHBondContact O-CB 3.41Å; N12-L16 VanDerWaalsContact O-CD1 3.32Å; N12-L16 WeakPolarHBondContact O-CD1 3.44Å; N12-L16 PolarHBondContact O-N 3.41Å
13L64.8Low62.6Low120 Ų120106.6 Ų106.663%0.62855%0.554SS**Hα-helixtrans-67.7-40.1175.1-79.2161000112R9 H10 L11 L15 L16 G17R9-L13 PolarHBondContact O-N 3.21Å; H10-L13 PolarHBondContact O-N 3.49Å; L11-L13 PolarHBondContact O-N 2.89Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L16 PolarHBondContact O-N 3.22Å; L13-G17 PolarHBondContact O-N 3.28Å
14I70.1Confident62.5Low106 Ų106102.8 Ų102.854%0.54454%0.541SS..Hα-helixtrans-64.4-40.4173.9-67.7165.6000110.3H10 L11 G17 L18H10-I14 WeakPolarHBondContact O-CB 3.42Å; H10-I14 WeakPolarHBondContact O-CD1 3.04Å; H10-I14 VanDerWaalsContact O-CG1 3.22Å; H10-I14 WeakPolarHBondContact O-CG1 3.37Å; H10-I14 PolarHBondContact O-N 3.26Å; L11-I14 PolarHBondContact O-N 3.2Å; I14-G17 PolarHBondContact O-N 3.38Å; I14-L18 HydrophobicContact CG2-CD1 3.89Å; I14-L18 WeakPolarHBondContact O-CB 3.26Å; I14-L18 WeakPolarHBondContact O-CG 3.39Å; I14-L18 PolarHBondContact O-N 3.16Å
15L65.4Low62.3Low101 Ų10196.8 Ų96.853%0.52953%0.525SS..Hα-helixtrans-66.9-43.3178-153.882.1000111.6L11 N12 L13 L18 I19L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 PolarHBondContact O-N 2.64Å; N12-L15 PolarHBondContact O-N 3.26Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L15-L18 PolarHBondContact O-N 3.24Å; L15-I19 HydrophobicContact CG-CD1 4.48Å; L15-I19 WeakPolarHBondContact O-CD1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.43Å
16L64.4Low62.4Low113 Ų11397.5 Ų97.559%0.59252%0.523SS*.Hα-helixtrans-63.4-42.2173.5-98.1117.1000111.7N12 L13 I19 V20N12-L16 WeakPolarHBondContact O-CB 3.41Å; N12-L16 VanDerWaalsContact O-CD1 3.32Å; N12-L16 WeakPolarHBondContact O-CD1 3.44Å; N12-L16 PolarHBondContact O-N 3.41Å; L13-L16 PolarHBondContact O-N 3.22Å; L16-I19 PolarHBondContact O-N 2.87Å; L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 2.69Å
17G65.4Low62.1Low36 Ų3697.4 Ų97.437%0.37152%0.524SS..Hα-helixtrans-60.8-43.7174.900000112.2L13 I14 V20 V21L13-G17 PolarHBondContact O-N 3.28Å; I14-G17 PolarHBondContact O-N 3.38Å; G17-V20 PolarHBondContact O-N 2.92Å; G17-V21 WeakPolarHBondContact O-CB 3.21Å; G17-V21 VanDerWaalsContact O-CG2 3.3Å; G17-V21 WeakPolarHBondContact O-CG2 3.28Å; G17-V21 PolarHBondContact O-N 2.69Å
18L67.5Low61.7Low91 Ų9195.7 Ų95.748%0.47652%0.522SS..Hα-helixtrans-64.1-40.1174.8-83161.6000112.3I14 L15 V21 L22I14-L18 HydrophobicContact CG2-CD1 3.89Å; I14-L18 WeakPolarHBondContact O-CB 3.26Å; I14-L18 WeakPolarHBondContact O-CG 3.39Å; I14-L18 PolarHBondContact O-N 3.16Å; L15-L18 PolarHBondContact O-N 3.24Å; L18-V21 PolarHBondContact O-N 2.85Å; L18-L22 WeakPolarHBondContact O-CB 3.3Å; L18-L22 WeakPolarHBondContact O-CD1 3.49Å; L18-L22 VanDerWaalsContact O-CG 3.24Å; L18-L22 WeakPolarHBondContact O-CG 3.07Å; L18-L22 PolarHBondContact O-N 3.32Å
19I70.4Confident61.2Low102 Ų102101 Ų10152%0.52354%0.538SS..Hα-helixtrans-63.7-43.3176.3-69.9163.3000110.7L15 L16 S23L15-I19 HydrophobicContact CG-CD1 4.48Å; L15-I19 WeakPolarHBondContact O-CD1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.43Å; L16-I19 PolarHBondContact O-N 2.87Å; I19-S23 WeakPolarHBondContact O-CB 3.25Å; I19-S23 PolarHBondContact O-N 3.11Å; I19-S23 PolarHBondContact O-OG 3.23Å
20V66.4Low60.7Low92 Ų9297.6 Ų97.656%0.55853%0.528SS*.Hα-helixtrans-66.8-42.1177.21760000111.7L16 G17 S23 A24L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 2.69Å; G17-V20 PolarHBondContact O-N 2.92Å; V20-S23 VanDerWaalsContact CA-OG 3.26Å; V20-S23 WeakPolarHBondContact CA-OG 3.28Å; V20-S23 PolarHBondContact O-N 3.45Å; V20-S23 PolarHBondContact O-OG 3.42Å; V20-A24 WeakPolarHBondContact O-CB 3.35Å; V20-A24 PolarHBondContact O-N 3.43Å
21V60.6Low59.7Low81 Ų81103.7 Ų103.749%0.49155%0.547SS..Hα-helixtrans-69.5-40.8177.6172.70000111.2G17 L18 S23 A24 L25G17-V21 WeakPolarHBondContact O-CB 3.21Å; G17-V21 VanDerWaalsContact O-CG2 3.3Å; G17-V21 WeakPolarHBondContact O-CG2 3.28Å; G17-V21 PolarHBondContact O-N 2.69Å; L18-V21 PolarHBondContact O-N 2.85Å; V21-S23 VanDerWaalsContact C-N 3.35Å; V21-A24 PolarHBondContact O-N 2.83Å; V21-L25 HydrophobicContact CG1-CD1 3.7Å; V21-L25 HydrophobicContact CG1-CG 4.2Å; V21-L25 VanDerWaalsContact O-CB 3.32Å; V21-L25 WeakPolarHBondContact O-CB 3.42Å; V21-L25 VanDerWaalsContact O-CG 3.3Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 3.2Å
22L61.3Low58.7Low94 Ų94107 Ų10749%0.49256%0.56SS.*Hα-helixtrans-63.8-41.4174.9-79.3164.4000111L18 L25 F26L18-L22 WeakPolarHBondContact O-CB 3.3Å; L18-L22 WeakPolarHBondContact O-CD1 3.49Å; L18-L22 VanDerWaalsContact O-CG 3.24Å; L18-L22 WeakPolarHBondContact O-CG 3.07Å; L18-L22 PolarHBondContact O-N 3.32Å; L22-L25 PolarHBondContact O-N 3.04Å; L22-F26 VanDerWaalsContact O-CB 3.28Å; L22-F26 WeakPolarHBondContact O-CB 3.26Å; L22-F26 WeakPolarHBondContact O-CD2 3.08Å; L22-F26 PolarHBondContact O-N 3.4Å
23S59.9Low57.6Low56 Ų56105.2 Ų105.239%0.39257%0.565SS.*Hα-helixtrans-66.8-38.5175.141.50000112.2I19 V20 V21 F26 L27I19-S23 WeakPolarHBondContact O-CB 3.25Å; I19-S23 PolarHBondContact O-N 3.11Å; I19-S23 PolarHBondContact O-OG 3.23Å; V20-S23 VanDerWaalsContact CA-OG 3.26Å; V20-S23 WeakPolarHBondContact CA-OG 3.28Å; V20-S23 PolarHBondContact O-N 3.45Å; V20-S23 PolarHBondContact O-OG 3.42Å; V21-S23 VanDerWaalsContact C-N 3.35Å; S23-F26 PolarHBondContact O-N 3.25Å; S23-L27 WeakPolarHBondContact O-CB 3.22Å; S23-L27 WeakPolarHBondContact O-CD1 3.41Å; S23-L27 WeakPolarHBondContact O-CG 3.39Å; S23-L27 PolarHBondContact O-N 3.21Å
24A55.6Low57Low54 Ų54104.1 Ų104.145%0.44657%0.567SS.*Hα-helixtrans-68.5-39.3175.400000112.9V20 V21 L27 S28V20-A24 WeakPolarHBondContact O-CB 3.35Å; V20-A24 PolarHBondContact O-N 3.43Å; V21-A24 PolarHBondContact O-N 2.83Å; A24-L27 PolarHBondContact O-N 3.23Å; A24-S28 PolarHBondContact O-N 3.01Å
25L52.7Low56Low94 Ų94102.5 Ų102.549%0.49256%0.564SS.*Hα-helixtrans-69.5-37.1174.7-74.2170.4000111.8V21 L22 L27 S28 Q29V21-L25 HydrophobicContact CG1-CD1 3.7Å; V21-L25 HydrophobicContact CG1-CG 4.2Å; V21-L25 VanDerWaalsContact O-CB 3.32Å; V21-L25 WeakPolarHBondContact O-CB 3.42Å; V21-L25 VanDerWaalsContact O-CG 3.3Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 3.2Å; L22-L25 PolarHBondContact O-N 3.04Å; L25-L27 VanDerWaalsContact C-N 3.3Å; L25-L27 PolarHBondContact O-N 2.83Å; L25-S28 PolarHBondContact O-N 3.14Å; L25-S28 PolarHBondContact O-OG 3.01Å; L25-Q29 PolarHBondContact O-N 3.42Å; L25-Q29 VanDerWaalsContact O-N 3.1Å
26F54.5Low55.2Low131 Ų131101.5 Ų101.558%0.57556%0.562SS**Hα-helixtrans-62.4-39.6170.4-103.7-90.1000111.5L22 S23 F30L22-F26 VanDerWaalsContact O-CB 3.28Å; L22-F26 WeakPolarHBondContact O-CB 3.26Å; L22-F26 WeakPolarHBondContact O-CD2 3.08Å; L22-F26 PolarHBondContact O-N 3.4Å; S23-F26 PolarHBondContact O-N 3.25Å; F26-F30 HydrophobicContact CD1-CD2 4.05Å; F26-F30 HydrophobicContact CD1-CE2 4.05Å; F26-F30 HydrophobicContact CE1-CD2 4.48Å; F26-F30 HydrophobicContact CE1-CE2 4.01Å; F26-F30 PolarHBondContact O-N 2.9Å
27L52.8Low54.6Low122 Ų122103.1 Ų103.164%0.63957%0.566SS**Hα-helixtrans-70.9-30.1177.7-73.7167.1000112.8S23 A24 L25S23-L27 WeakPolarHBondContact O-CB 3.22Å; S23-L27 WeakPolarHBondContact O-CD1 3.41Å; S23-L27 WeakPolarHBondContact O-CG 3.39Å; S23-L27 PolarHBondContact O-N 3.21Å; A24-L27 PolarHBondContact O-N 3.23Å; L25-L27 VanDerWaalsContact C-N 3.3Å; L25-L27 PolarHBondContact O-N 2.83Å
28S53Low53.8Low80 Ų80111.2 Ų111.256%0.55959%0.586SS**Hα-helixtrans-79.8-30.5178.171.90000113.3A24 L25A24-S28 PolarHBondContact O-N 3.01Å; L25-S28 PolarHBondContact O-N 3.14Å; L25-S28 PolarHBondContact O-OG 3.01Å
29Q50Low53.3Low163 Ų163110.7 Ų110.776%0.76259%0.587SS**Hα-helixtrans-87.3-18.7178.8-73.9-170.2-2100114.6L25 R31L25-Q29 PolarHBondContact O-N 3.42Å; L25-Q29 VanDerWaalsContact O-N 3.1Å; Q29-R31 PolarHBondContact O-N 2.76Å
30F46.2Very low53.1Low106 Ų106109.8 Ų109.847%0.46558%0.583SS.*  trans-102.447.5178.5-81.1-90.2000113.4F26 Q32F26-F30 HydrophobicContact CD1-CD2 4.05Å; F26-F30 HydrophobicContact CD1-CE2 4.05Å; F26-F30 HydrophobicContact CE1-CD2 4.48Å; F26-F30 HydrophobicContact CE1-CE2 4.01Å; F26-F30 PolarHBondContact O-N 2.9Å; F30-Q32 PolarHBondContact O-N 3.12Å; F30-Q32 VanDerWaalsContact O-N 3.09Å
31R43.4Very low53.6Low228 Ų228108.5 Ų108.586%0.8658%0.575SS**  trans-78.869.9155.4-91.3-171.7171.9-171.2-0.9109.1Q29Q29-R31 PolarHBondContact O-N 2.76Å
32Q43.5Very low54.4Low179 Ų179111.7 Ų111.784%0.83658%0.583SS**SBendtrans174.2123.9154.3-97.1160.827.800110.8F30F30-Q32 PolarHBondContact O-N 3.12Å; F30-Q32 VanDerWaalsContact O-N 3.09Å
33G42.1Very low55.2Low61 Ų61111.3 Ų111.363%0.62958%0.584SS**SBendtrans84.7105.8150.600000119.2C35G33-C35 VanDerWaalsContact C-N 3.31Å; G33-C35 PolarHBondContact O-N 3.44Å
34S52.5Low56.1Low96 Ų96113.6 Ų113.667%0.67159%0.589SS**SBendtrans63.8-34.8155.175.30000120.9Q37 R38S34-Q37 PolarHBondContact O-N 3.48Å; S34-R38 PolarHBondContact O-N 2.58Å
35C48.3Very low57.3Low72 Ų72119.3 Ų119.349%0.48660%0.599SS.*Hα-helixtrans-73.8-35.6-174.2-144.60000112.5G33 Q37 R38 T39G33-C35 VanDerWaalsContact C-N 3.31Å; G33-C35 PolarHBondContact O-N 3.44Å; C35-Q37 VanDerWaalsContact C-N 3.34Å; C35-Q37 PolarHBondContact O-N 3.06Å; C35-R38 PolarHBondContact O-N 3.35Å; C35-R38 VanDerWaalsContact O-N 3.16Å; C35-T39 PolarHBondContact O-N 2.92Å; C35-T39 PolarHBondContact O-OG1 3.22Å
36V49.2Very low58.8Low80 Ų80119 Ų11949%0.48560%0.597SS.*Hα-helixtrans-63.9-35.7176.4179.30000112.2T39 D40V36-T39 PolarHBondContact O-OG1 3.24Å; V36-D40 WeakPolarHBondContact O-CB 3.44Å; V36-D40 PolarHBondContact O-N 2.77Å; V36-D40 VanDerWaalsContact O-N 3.14Å
37Q50.5Low60.1Low147 Ų147115.4 Ų115.469%0.68759%0.592SS**Hα-helixtrans-69.5-35.8175-75.1178.8-28.700111.6S34 C35 D40 V41S34-Q37 PolarHBondContact O-N 3.48Å; C35-Q37 VanDerWaalsContact C-N 3.34Å; C35-Q37 PolarHBondContact O-N 3.06Å; Q37-D40 PolarHBondContact O-N 3.15Å; Q37-V41 VanDerWaalsContact O-CG2 3.3Å; Q37-V41 WeakPolarHBondContact O-CG2 3.47Å; Q37-V41 PolarHBondContact O-N 3.23Å
38R49.7Very low61.5Low206 Ų206116.5 Ų116.578%0.77759%0.594SS**Hα-helixtrans-71.4-38.9-179.9-127.1-178.4-164.9-1705112.4S34 C35 D40 F42S34-R38 PolarHBondContact O-N 2.58Å; C35-R38 PolarHBondContact O-N 3.35Å; C35-R38 VanDerWaalsContact O-N 3.16Å; R38-D40 VanDerWaalsContact C-N 3.35Å; R38-F42 PolarHBondContact O-N 2.78Å; R38-F42 VanDerWaalsContact O-N 3.07Å
39T56Low63Low80 Ų80120.5 Ų120.549%0.49160%0.601SS.*Hα-helixtrans-65.9-39.2173.752.10000111.2C35 V36 F42 T43C35-T39 PolarHBondContact O-N 2.92Å; C35-T39 PolarHBondContact O-OG1 3.22Å; V36-T39 PolarHBondContact O-OG1 3.24Å; T39-F42 PolarHBondContact O-N 3.18Å; T39-T43 WeakPolarHBondContact O-CB 3.19Å; T39-T43 PolarHBondContact O-N 3.18Å; T39-T43 PolarHBondContact O-OG1 3.4Å
40D67.7Low64.7Low83 Ų83118 Ų11844%0.44459%0.592SS.*Hα-helixtrans-61.6-49.5175.1-171.116.5000111.6V36 Q37 R38 F42 T43 Q44V36-D40 WeakPolarHBondContact O-CB 3.44Å; V36-D40 PolarHBondContact O-N 2.77Å; V36-D40 VanDerWaalsContact O-N 3.14Å; Q37-D40 PolarHBondContact O-N 3.15Å; R38-D40 VanDerWaalsContact C-N 3.35Å; D40-F42 VanDerWaalsContact C-N 3.35Å; D40-F42 PolarHBondContact O-N 2.88Å; D40-T43 PolarHBondContact O-N 2.96Å; D40-Q44 VanDerWaalsContact CG-NE2 3.26Å; D40-Q44 WeakPolarHBondContact O-CB 3.18Å; D40-Q44 VanDerWaalsContact O-CG 3.28Å; D40-Q44 WeakPolarHBondContact O-CG 3.17Å; D40-Q44 PolarHBondContact O-N 2.83Å; D40-Q44 PolarHBondContact OD1-NE2 3.47Å; D40-Q44 PolarHBondContact OD2-NE2 3.33Å
41V75.7Confident66.5Low66 Ų66122.5 Ų122.540%0.461%0.606SS.*Hα-helixtrans-60.4-41.3178173.80000112.3Q37 R45Q37-V41 VanDerWaalsContact O-CG2 3.3Å; Q37-V41 WeakPolarHBondContact O-CG2 3.47Å; Q37-V41 PolarHBondContact O-N 3.23Å; V41-R45 WeakPolarHBondContact O-CB 3.46Å; V41-R45 VanDerWaalsContact O-CG 3.32Å; V41-R45 WeakPolarHBondContact O-CG 3.34Å; V41-R45 PolarHBondContact O-N 3.48Å
42F78.3Confident68.4Low147 Ų147113.6 Ų113.665%0.64559%0.585SS**Hα-helixtrans-65.6-43.4177-176.1-97000111.7R38 T39 D40 R45 L46R38-F42 PolarHBondContact O-N 2.78Å; R38-F42 VanDerWaalsContact O-N 3.07Å; T39-F42 PolarHBondContact O-N 3.18Å; D40-F42 VanDerWaalsContact C-N 3.35Å; D40-F42 PolarHBondContact O-N 2.88Å; F42-R45 PolarHBondContact O-N 3.32Å; F42-L46 WeakPolarHBondContact O-CB 3.33Å; F42-L46 PolarHBondContact O-N 3.3Å
43T77.1Confident70.5Confident86 Ų86109 Ų10953%0.52857%0.572SS.*Hα-helixtrans-65.1-42.5179.7-49.40000111.1T39 D40 L46 A47T39-T43 WeakPolarHBondContact O-CB 3.19Å; T39-T43 PolarHBondContact O-N 3.18Å; T39-T43 PolarHBondContact O-OG1 3.4Å; D40-T43 PolarHBondContact O-N 2.96Å; T43-L46 PolarHBondContact O-N 2.52Å; T43-A47 WeakPolarHBondContact O-CB 3.17Å; T43-A47 PolarHBondContact O-N 3.09Å
44Q80.2Confident72.6Confident104 Ų104110.5 Ų110.549%0.48657%0.566SS.*Hα-helixtrans-62.1-43.8175-72.5177.39.900112.3D40 A47 Q48D40-Q44 VanDerWaalsContact CG-NE2 3.26Å; D40-Q44 WeakPolarHBondContact O-CB 3.18Å; D40-Q44 VanDerWaalsContact O-CG 3.28Å; D40-Q44 WeakPolarHBondContact O-CG 3.17Å; D40-Q44 PolarHBondContact O-N 2.83Å; D40-Q44 PolarHBondContact OD1-NE2 3.47Å; D40-Q44 PolarHBondContact OD2-NE2 3.33Å; Q44-A47 PolarHBondContact O-N 3.2Å; Q44-Q48 WeakPolarHBondContact O-CB 3.3Å; Q44-Q48 PolarHBondContact O-N 2.89Å
45R81.1Confident74.3Confident174 Ų174110.7 Ų110.766%0.65756%0.559SS**Hα-helixtrans-63.2-42.4175.8-76.2178.9-177.6-161.20.9112V41 F42 Q48 K49V41-R45 WeakPolarHBondContact O-CB 3.46Å; V41-R45 VanDerWaalsContact O-CG 3.32Å; V41-R45 WeakPolarHBondContact O-CG 3.34Å; V41-R45 PolarHBondContact O-N 3.48Å; F42-R45 PolarHBondContact O-N 3.32Å; R45-Q48 PolarHBondContact O-N 2.97Å; R45-K49 WeakPolarHBondContact O-CB 3.37Å; R45-K49 PolarHBondContact O-N 3.41Å
46L82.6Confident76.3Confident88 Ų88112 Ų11246%0.46156%0.558SS.*Hα-helixtrans-63.7-44.6176.4-175.364.3000111F42 T43 Q48 K49 L50F42-L46 WeakPolarHBondContact O-CB 3.33Å; F42-L46 PolarHBondContact O-N 3.3Å; T43-L46 PolarHBondContact O-N 2.52Å; L46-Q48 PolarHBondContact O-N 3.44Å; L46-K49 PolarHBondContact O-N 2.91Å; L46-L50 HydrophobicContact CG-CD1 4.15Å; L46-L50 WeakPolarHBondContact O-CB 3.33Å; L46-L50 WeakPolarHBondContact O-CG 3.44Å; L46-L50 PolarHBondContact O-N 3.08Å
47A81.6Confident78.3Confident56 Ų56110.3 Ų110.346%0.46355%0.549SS..Hα-helixtrans-61.4-43.1176.400000112.2T43 Q44 L50 R51T43-A47 WeakPolarHBondContact O-CB 3.17Å; T43-A47 PolarHBondContact O-N 3.09Å; Q44-A47 PolarHBondContact O-N 3.2Å; A47-L50 PolarHBondContact O-N 2.98Å; A47-R51 VanDerWaalsContact O-CB 3.32Å; A47-R51 WeakPolarHBondContact O-CB 3.21Å; A47-R51 PolarHBondContact O-N 2.6Å
48Q83Confident80.3Confident144 Ų144103.9 Ų103.967%0.67352%0.52SS*.Hα-helixtrans-61.2-44.4173.7-90.9-178.3-23.900112.1Q44 R45 L46 R51 G52Q44-Q48 WeakPolarHBondContact O-CB 3.3Å; Q44-Q48 PolarHBondContact O-N 2.89Å; R45-Q48 PolarHBondContact O-N 2.97Å; L46-Q48 PolarHBondContact O-N 3.44Å; Q48-R51 PolarHBondContact O-N 2.92Å; Q48-G52 PolarHBondContact O-N 3.18Å
49K85Confident82.2Confident165 Ų16599.9 Ų99.972%0.71751%0.508SS*.Hα-helixtrans-63.4-43.4178.5-168.5176.2-178.3-1790111.7R45 L46 G52 S53R45-K49 WeakPolarHBondContact O-CB 3.37Å; R45-K49 PolarHBondContact O-N 3.41Å; L46-K49 PolarHBondContact O-N 2.91Å; K49-G52 PolarHBondContact O-N 3.08Å; K49-S53 PolarHBondContact O-N 2.9Å
50L84.3Confident84Confident111 Ų111100.2 Ų100.258%0.58151%0.508SS*.Hα-helixtrans-63.4-43.2175.3-71.7170.2000111.6L46 A47 G52 S53 L54L46-L50 HydrophobicContact CG-CD1 4.15Å; L46-L50 WeakPolarHBondContact O-CB 3.33Å; L46-L50 WeakPolarHBondContact O-CG 3.44Å; L46-L50 PolarHBondContact O-N 3.08Å; A47-L50 PolarHBondContact O-N 2.98Å; L50-G52 PolarHBondContact O-N 2.86Å; L50-S53 PolarHBondContact O-N 3.08Å; L50-L54 WeakPolarHBondContact O-CB 3.25Å; L50-L54 PolarHBondContact O-N 2.9Å
51R84Confident85.2Confident200 Ų20096.5 Ų96.576%0.75549%0.488SS*.Hα-helixtrans-62.4-42.2176.3-169.4177.1-176.9-179.11112A47 Q48 L54 L55A47-R51 VanDerWaalsContact O-CB 3.32Å; A47-R51 WeakPolarHBondContact O-CB 3.21Å; A47-R51 PolarHBondContact O-N 2.6Å; Q48-R51 PolarHBondContact O-N 2.92Å; R51-L54 PolarHBondContact O-N 3.35Å; R51-L55 WeakPolarHBondContact O-CB 3.38Å; R51-L55 PolarHBondContact O-N 3.24Å
52G84.8Confident86.1Confident40 Ų4093.8 Ų93.841%0.41247%0.473SS..Hα-helixtrans-63.1-44.6175.100000112.5Q48 K49 L50 L54 L55 Q56Q48-G52 PolarHBondContact O-N 3.18Å; K49-G52 PolarHBondContact O-N 3.08Å; L50-G52 PolarHBondContact O-N 2.86Å; G52-L54 PolarHBondContact O-N 3.28Å; G52-L55 PolarHBondContact O-N 3.1Å; G52-Q56 PolarHBondContact O-N 2.9Å
53S87.2Confident86.7Confident82 Ų8295 Ų9557%0.57348%0.478SS*.Hα-helixtrans-61.5-42.8175.7-172.20000112.3K49 L50 Q56 S57K49-S53 PolarHBondContact O-N 2.9Å; L50-S53 PolarHBondContact O-N 3.08Å; S53-Q56 PolarHBondContact O-N 3.39Å; S53-S57 PolarHBondContact O-N 3.29Å
54L85.6Confident87.5Confident94 Ų9498.7 Ų98.749%0.49249%0.489SS..Hα-helixtrans-65.2-43.4176.6-179.164.5000111.5L50 R51 G52 Q56 S57 V58L50-L54 WeakPolarHBondContact O-CB 3.25Å; L50-L54 PolarHBondContact O-N 2.9Å; R51-L54 PolarHBondContact O-N 3.35Å; G52-L54 PolarHBondContact O-N 3.28Å; L54-Q56 VanDerWaalsContact C-N 3.27Å; L54-Q56 PolarHBondContact O-N 2.97Å; L54-S57 PolarHBondContact O-N 2.93Å; L54-S57 PolarHBondContact O-OG 3.49Å; L54-V58 VanDerWaalsContact O-CG2 3.23Å; L54-V58 WeakPolarHBondContact O-CG2 3.29Å; L54-V58 PolarHBondContact O-N 2.86Å
55L89Confident88.1Confident100 Ų10096.4 Ų96.452%0.52448%0.478SS..Hα-helixtrans-62.5-38.2177.6-168.971.4000111.5R51 G52 K59R51-L55 WeakPolarHBondContact O-CB 3.38Å; R51-L55 PolarHBondContact O-N 3.24Å; G52-L55 PolarHBondContact O-N 3.1Å; L55-K59 WeakPolarHBondContact O-CG 3.36Å; L55-K59 PolarHBondContact O-N 3.46Å
56Q90.4Very high88.7Confident98 Ų9897 Ų9746%0.45849%0.486SS..Hα-helixtrans-68.9-39.8177-168.36041.800112.1G52 S53 L54 K59 N60G52-Q56 PolarHBondContact O-N 2.9Å; S53-Q56 PolarHBondContact O-N 3.39Å; L54-Q56 VanDerWaalsContact C-N 3.27Å; L54-Q56 PolarHBondContact O-N 2.97Å; Q56-K59 PolarHBondContact O-N 2.65Å; Q56-N60 PolarHBondContact NE2-OD1 3.26Å; Q56-N60 WeakPolarHBondContact O-CB 3.34Å; Q56-N60 PolarHBondContact O-N 3.06Å; Q56-N60 PolarHBondContact O-OD1 3.4Å
57S90.6Very high89.2Confident45 Ų4593.7 Ų93.732%0.31547%0.468SS..Hα-helixtrans-64.1-41.3176.170.70000111.7S53 L54 N60 A61S53-S57 PolarHBondContact O-N 3.29Å; L54-S57 PolarHBondContact O-N 2.93Å; L54-S57 PolarHBondContact O-OG 3.49Å; S57-N60 PolarHBondContact O-N 3.31Å; S57-A61 WeakPolarHBondContact O-CB 3.47Å; S57-A61 PolarHBondContact O-N 3.11Å
58V91.9Very high89.6Confident13 Ų1394.9 Ų94.98%0.07947%0.467CS..Hα-helixtrans-60.2-46.9174174.10000111L54 N60 A61 A62 N105 L106 P108 K109L54-V58 VanDerWaalsContact O-CG2 3.23Å; L54-V58 WeakPolarHBondContact O-CG2 3.29Å; L54-V58 PolarHBondContact O-N 2.86Å; V58-N60 PolarHBondContact O-N 2.62Å; V58-A61 PolarHBondContact O-N 2.8Å; V58-A62 WeakPolarHBondContact O-CB 3.46Å; V58-A62 PolarHBondContact O-N 3.19Å; V58-N105 WeakPolarHBondContact CG2-O 3.01Å; V58-L106 HydrophobicContact CG1-CD2 4.27Å; V58-P108 HydrophobicContact CG2-CB 4.2Å; V58-P108 HydrophobicContact CG2-CG 3.91Å; V58-K109 HydrophobicContact CG1-CB 4.13Å
59K91Very high89.8Confident121 Ų12192.4 Ų92.453%0.52647%0.471SS..Hα-helixtrans-61.3-43.5177.6-78.1176.4176.4-177.30112.3L55 Q56 A62 K63L55-K59 WeakPolarHBondContact O-CG 3.36Å; L55-K59 PolarHBondContact O-N 3.46Å; Q56-K59 PolarHBondContact O-N 2.65Å; K59-A62 PolarHBondContact O-N 2.81Å; K59-K63 WeakPolarHBondContact O-CB 3.33Å; K59-K63 PolarHBondContact O-N 2.8Å
60N93.1Very high90.1Very high88 Ų8888.6 Ų88.647%0.47146%0.459SS..Hα-helixtrans-64.4-44.1178.3-69.6-9.1000111.3Q56 S57 V58 K63 Q64Q56-N60 PolarHBondContact NE2-OD1 3.26Å; Q56-N60 WeakPolarHBondContact O-CB 3.34Å; Q56-N60 PolarHBondContact O-N 3.06Å; Q56-N60 PolarHBondContact O-OD1 3.4Å; S57-N60 PolarHBondContact O-N 3.31Å; V58-N60 PolarHBondContact O-N 2.62Å; N60-K63 PolarHBondContact O-N 2.87Å; N60-Q64 WeakPolarHBondContact O-CB 3.32Å; N60-Q64 PolarHBondContact O-N 2.98Å
61A93.3Very high90.6Very high4 Ų485.3 Ų85.33%0.03344%0.44CS..Hα-helixtrans-59.8-46.6175.700000111.9S57 V58 K63 Q64 E65 N105 L106S57-A61 WeakPolarHBondContact O-CB 3.47Å; S57-A61 PolarHBondContact O-N 3.11Å; V58-A61 PolarHBondContact O-N 2.8Å; A61-K63 VanDerWaalsContact C-N 3.34Å; A61-K63 PolarHBondContact O-N 2.89Å; A61-Q64 PolarHBondContact O-N 3Å; A61-E65 PolarHBondContact O-N 3.28Å; A61-E65 VanDerWaalsContact O-N 3.13Å; A61-N105 HydrophobicContact CB-CB 4.26Å; A61-L106 HydrophobicContact CB-CD2 3.77Å; A61-L106 HydrophobicContact CB-CG 4.05Å
62A93.3Very high91.3Very high10 Ų1076.7 Ų76.78%0.08341%0.409CS..Hα-helixtrans-63.6-39.817900000112.1V58 K59 E65 K66 I67 L106V58-A62 WeakPolarHBondContact O-CB 3.46Å; V58-A62 PolarHBondContact O-N 3.19Å; K59-A62 PolarHBondContact O-N 2.81Å; A62-E65 PolarHBondContact O-N 3.37Å; A62-K66 PolarHBondContact O-N 3.2Å; A62-K66 VanDerWaalsContact O-N 3.14Å; A62-I67 HydrophobicContact CB-CB 4.32Å; A62-I67 HydrophobicContact CB-CD1 4.33Å; A62-I67 PolarHBondContact O-N 2.72Å; A62-L106 HydrophobicContact CB-CD2 3.97Å
63K92.5Very high91.9Very high173 Ų17374.8 Ų74.875%0.75239%0.389SS*.Hα-helixtrans-65.5-39.7175.9-173.2178.6179.9-1790112K59 N60 A61 E65 K66K59-K63 WeakPolarHBondContact O-CB 3.33Å; K59-K63 PolarHBondContact O-N 2.8Å; N60-K63 PolarHBondContact O-N 2.87Å; A61-K63 VanDerWaalsContact C-N 3.34Å; A61-K63 PolarHBondContact O-N 2.89Å; K63-E65 VanDerWaalsContact C-N 3.32Å; K63-E65 PolarHBondContact O-N 3.2Å; K63-K66 PolarHBondContact O-N 2.83Å; K63-K66 VanDerWaalsContact O-N 3.15Å
64Q93.2Very high92.4Very high163 Ų16370.9 Ų70.976%0.76236%0.362SS*.Hα-helixtrans-63.8-38.3178.7-175.6174.6-2.900111.9N60 A61 K66N60-Q64 WeakPolarHBondContact O-CB 3.32Å; N60-Q64 PolarHBondContact O-N 2.98Å; A61-Q64 PolarHBondContact O-N 3Å; Q64-K66 VanDerWaalsContact C-N 3.29Å
65E93.1Very high93Very high55 Ų5566.4 Ų66.426%0.25734%0.339SS..THydrogen-bonded Turntrans-84.92.8175.6-75.3178.5-133.700114A61 A62 K63 I67 H99 T101 N103A61-E65 PolarHBondContact O-N 3.28Å; A61-E65 VanDerWaalsContact O-N 3.13Å; A62-E65 PolarHBondContact O-N 3.37Å; K63-E65 VanDerWaalsContact C-N 3.32Å; K63-E65 PolarHBondContact O-N 3.2Å; E65-I67 HydrophobicContact CB-CD1 3.86Å; E65-I67 HydrophobicContact CB-CG1 3.78Å; E65-I67 PolarHBondContact O-N 3.01Å; E65-H99 IonicContact OE2-NE2 3.31Å; E65-H99 PolarHBondContact OE2-NE2 3.12Å; E65-T101 VanDerWaalsContact CD-OG1 3.31Å; E65-T101 PolarHBondContact OE1-OG1 3.04Å; E65-T101 VanDerWaalsContact OE2-CB 3.23Å; E65-T101 WeakPolarHBondContact OE2-CB 3.3Å; E65-T101 PolarHBondContact OE2-OG1 3.38Å; E65-N103 WeakPolarHBondContact OE1-CB 3.47Å; E65-N103 PolarHBondContact OE1-ND2 3.34Å
66K92.5Very high93.5Very high187 Ų18761.9 Ų61.981%0.81332%0.315SS*.THydrogen-bonded Turntrans54.937.1-179.2-55.5178.7-178.7177.10113.5A62 K63 Q64A62-K66 PolarHBondContact O-N 3.2Å; A62-K66 VanDerWaalsContact O-N 3.14Å; K63-K66 PolarHBondContact O-N 2.83Å; K63-K66 VanDerWaalsContact O-N 3.15Å; Q64-K66 VanDerWaalsContact C-N 3.29Å
67I93.1Very high93.8Very high18 Ų1858 Ų589%0.09230%0.296CS..  trans-74125.3-179.7-62.6172.2000109.5A62 E65 Q71 L73 L106A62-I67 HydrophobicContact CB-CB 4.32Å; A62-I67 HydrophobicContact CB-CD1 4.33Å; A62-I67 PolarHBondContact O-N 2.72Å; E65-I67 HydrophobicContact CB-CD1 3.86Å; E65-I67 HydrophobicContact CB-CG1 3.78Å; E65-I67 PolarHBondContact O-N 3.01Å; I67-Q71 HydrophobicContact CG2-CB 4.23Å; I67-L73 HydrophobicContact CD1-CD1 4.01Å; I67-L73 HydrophobicContact CD1-CD2 3.79Å; I67-L73 HydrophobicContact CG1-CD2 4.28Å; I67-L73 HydrophobicContact CG2-CD1 4.41Å; I67-L73 HydrophobicContact CG2-CD2 3.62Å; I67-L73 HydrophobicContact CG2-CG 4.32Å; I67-L106 HydrophobicContact CD1-CD1 3.44Å; I67-L106 VanDerWaalsContact CD1-CD1 3.44Å
68D91.2Very high94Very high82 Ų8256.8 Ų56.844%0.43929%0.285SS..  trans-65.9148.2173.2-164.7-35.8000110.5N70 Q71D68-N70 WeakPolarHBondContact CB-OD1 3.36Å; D68-N70 PolarHBondContact O-N 3.07Å; D68-N70 PolarHBondContact OD1-N 3.21Å; D68-N70 VanDerWaalsContact OD1-N 3.14Å; D68-N70 PolarHBondContact OD1-OD1 2.02Å; D68-N70 VanDerWaalsContact OD1-OD1 3.12Å; D68-N70 PolarHBondContact OD2-OD1 2.88Å; D68-Q71 HydrophobicContact CB-CB 4.38Å; D68-Q71 HydrophobicContact CB-CG 3.92Å; D68-Q71 PolarHBondContact O-N 3.15Å
69A86.7Confident94Very high92 Ų9257.9 Ų57.976%0.7629%0.291SS*.THydrogen-bonded Turntrans-58.4-31.6174.400000112.8
70N90.6Very high93.8Very high85 Ų8552.8 Ų52.846%0.45527%0.268SS..THydrogen-bonded Turntrans-88.3-4.4-178.965.511.2000114.5D68 N97 R365D68-N70 WeakPolarHBondContact CB-OD1 3.36Å; D68-N70 PolarHBondContact O-N 3.07Å; D68-N70 PolarHBondContact OD1-N 3.21Å; D68-N70 VanDerWaalsContact OD1-N 3.14Å; D68-N70 PolarHBondContact OD1-OD1 2.02Å; D68-N70 VanDerWaalsContact OD1-OD1 3.12Å; D68-N70 PolarHBondContact OD2-OD1 2.88Å; N70-N97 PolarHBondContact ND2-ND2 2.8Å; N70-N97 PolarHBondContact OD1-ND2 2.82Å; N70-R365 PolarHBondContact O-NH1 3.26Å; N70-R365 PolarHBondContact O-NH2 3.4Å
71Q95.9Very high93.2Very high42 Ų4252.5 Ų52.520%0.19627%0.273CS..PPolyproline II helixtrans-77.4132.2-179.3-85.9176.5-28.100112I67 D68 N97 H99I67-Q71 HydrophobicContact CG2-CB 4.23Å; D68-Q71 HydrophobicContact CB-CB 4.38Å; D68-Q71 HydrophobicContact CB-CG 3.92Å; D68-Q71 PolarHBondContact O-N 3.15Å; Q71-N97 WeakPolarHBondContact CA-O 3.33Å; Q71-N97 WeakPolarHBondContact CG-OD1 3.27Å; Q71-N97 PolarHBondContact NE2-OD1 3.28Å; Q71-H99 HydrophobicContact CB-CB 4.44Å
72L97.7Very high92.4Very high18 Ų1857.2 Ų57.29%0.09430%0.298CS..EExtended strand (participates in β ladder)trans-83.5128.9170.2-65.9-178.5000110.2N97 C98 H99 A111 L364 R365 N368L72-N97 PolarHBondContact N-O 3.18Å; L72-C98 CarbonylContact O-C 3.58Å; L72-C98 VanDerWaalsContact O-CA 3.26Å; L72-C98 WeakPolarHBondContact O-CA 3.14Å; L72-H99 PolarHBondContact O-N 2.87Å; L72-A111 HydrophobicContact CB-CB 4.3Å; L72-A111 HydrophobicContact CD2-CB 4.29Å; L72-L364 HydrophobicContact CD1-CB 3.83Å; L72-L364 WeakPolarHBondContact CD1-O 3.36Å; L72-R365 HydrophobicContact CD1-CG 3.92Å; L72-N368 WeakPolarHBondContact CD2-OD1 3.12Å
73L98.1Very high91.8Very high1 Ų159.2 Ų59.21%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-92.7125.1-174.2-68.9-168.4000112I67 H99 L106 K109 A111 A112I67-L73 HydrophobicContact CD1-CD1 4.01Å; I67-L73 HydrophobicContact CD1-CD2 3.79Å; I67-L73 HydrophobicContact CG1-CD2 4.28Å; I67-L73 HydrophobicContact CG2-CD1 4.41Å; I67-L73 HydrophobicContact CG2-CD2 3.62Å; I67-L73 HydrophobicContact CG2-CG 4.32Å; L73-H99 HydrophobicContact CD2-CB 3.84Å; L73-L106 HydrophobicContact CD1-CB 4.25Å; L73-L106 HydrophobicContact CD1-CD1 4.26Å; L73-L106 HydrophobicContact CD1-CD2 4.45Å; L73-K109 HydrophobicContact CD1-CB 4.08Å; L73-K109 HydrophobicContact CD1-CD 3.85Å; L73-K109 HydrophobicContact CD1-CG 3.9Å; L73-A111 PolarHBondContact O-N 2.82Å; L73-A112 PolarHBondContact O-N 3.18Å; L73-A112 VanDerWaalsContact O-N 3.15Å
74I98.5Very high91.6Very high0 Ų055.5 Ų55.50%030%0.303CS..EExtended strand (participates in β ladder)trans-104.7105.2170.1-57.4171.2000107.1I76 C98 H99 V100 T101 V114 M357 L360 C361 L364I74-I76 HydrophobicContact CG2-CD1 4.03Å; I74-C98 HydrophobicContact CD1-CB 4.02Å; I74-C98 HydrophobicContact CG1-CB 4.5Å; I74-H99 PolarHBondContact N-O 3.43Å; I74-V100 WeakPolarHBondContact O-CA 3.36Å; I74-T101 PolarHBondContact O-N 3.07Å; I74-V114 HydrophobicContact CG2-CG2 3.69Å; I74-M357 HydrophobicContact CD1-CE 4.19Å; I74-M357 HydrophobicContact CG2-CE 4.1Å; I74-L360 HydrophobicContact CD1-CD2 4.04Å; I74-L360 HydrophobicContact CD1-CG 4.13Å; I74-L360 HydrophobicContact CG1-CD2 4.37Å; I74-L360 HydrophobicContact CG2-CD2 3.79Å; I74-C361 HydrophobicContact CD1-CB 4.47Å; I74-L364 HydrophobicContact CD1-CD1 4.19Å; I74-L364 HydrophobicContact CG1-CD1 3.64Å
75L98.2Very high91.6Very high0 Ų047.9 Ų47.90%027%0.268CS..EExtended strand (participates in β ladder)trans-87.1115.5176.8176.660.5000109.5W77 T101 L107 A110 A112 V113 V114L75-W77 HydrophobicContact CD2-CE3 3.67Å; L75-W77 HydrophobicContact CD2-CZ3 3.82Å; L75-W77 HydrophobicContact CG-CE3 4.2Å; L75-W77 PolarHBondContact O-N 2.73Å; L75-T101 WeakPolarHBondContact CA-O 3.16Å; L75-T101 HydrophobicContact CB-CG2 4.41Å; L75-T101 HydrophobicContact CD1-CG2 4.07Å; L75-L107 HydrophobicContact CD2-CB 3.84Å; L75-L107 HydrophobicContact CD2-CD1 3.91Å; L75-A110 HydrophobicContact CB-CB 3.71Å; L75-A110 HydrophobicContact CD2-CB 4.34Å; L75-A112 PolarHBondContact N-O 2.88Å; L75-V113 HydrophobicContact CB-CG2 4.48Å; L75-V113 HydrophobicContact CD2-CG1 4.5Å; L75-V113 HydrophobicContact CD2-CG2 4.43Å; L75-V113 CarbonylContact O-C 3.52Å; L75-V113 VanDerWaalsContact O-CA 3.27Å; L75-V113 WeakPolarHBondContact O-CA 3.33Å; L75-V114 PolarHBondContact O-N 3.18Å
76I97.8Very high91.7Very high4 Ų447.7 Ų47.72%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-81.7107.7170.5-50.4-58.2000106.9I74 D79 T85 V100 T101 H102 V114 M357I74-I76 HydrophobicContact CG2-CD1 4.03Å; I76-D79 HydrophobicContact CG2-CB 4Å; I76-T85 HydrophobicContact CD1-CG2 3.72Å; I76-T85 HydrophobicContact CG1-CG2 3.99Å; I76-V100 HydrophobicContact CD1-CG1 4.13Å; I76-V100 HydrophobicContact CG1-CG1 3.55Å; I76-T101 PolarHBondContact N-O 3.34Å; I76-H102 VanDerWaalsContact CB-CE1 3.48Å; I76-H102 WeakPolarHBondContact CB-CE1 3.37Å; I76-V114 HydrophobicContact CD1-CB 3.87Å; I76-V114 HydrophobicContact CD1-CG1 4.44Å; I76-V114 HydrophobicContact CD1-CG2 4.02Å; I76-M357 HydrophobicContact CD1-CE 4.45Å
77W96.9Very high91.8Very high18 Ų1842 Ų427%0.06825%0.251CS..EExtended strand (participates in β ladder)trans-78.9-45-176.4-165.4-101.8000111.5L75 R104 L107 V113 V114 Y115 S124 P126L75-W77 HydrophobicContact CD2-CE3 3.67Å; L75-W77 HydrophobicContact CD2-CZ3 3.82Å; L75-W77 HydrophobicContact CG-CE3 4.2Å; L75-W77 PolarHBondContact O-N 2.73Å; W77-R104 HydrophobicContact CE3-CG 4.02Å; W77-R104 HydrophobicContact CH2-CB 4.1Å; W77-R104 HydrophobicContact CH2-CG 4.02Å; W77-R104 HydrophobicContact CZ3-CB 3.86Å; W77-R104 HydrophobicContact CZ3-CG 3.7Å; W77-R104 PolarHBondContact O-NH2 2.6Å; W77-L107 HydrophobicContact CH2-CD2 4.22Å; W77-L107 HydrophobicContact CZ3-CB 4.33Å; W77-L107 HydrophobicContact CZ3-CD1 4.17Å; W77-L107 HydrophobicContact CZ3-CD2 4.12Å; W77-L107 HydrophobicContact CZ3-CG 4.44Å; W77-V113 HydrophobicContact CB-CG1 3.64Å; W77-V113 HydrophobicContact CD2-CG1 4.28Å; W77-V113 HydrophobicContact CE3-CG1 4.03Å; W77-V113 HydrophobicContact CG-CG1 4.15Å; W77-V114 WeakPolarHBondContact CB-O 3.48Å; W77-V114 PolarHBondContact N-O 3.28Å; W77-Y115 HydrophobicContact CB-CD1 3.94Å; W77-Y115 HydrophobicContact CB-CE1 3.84Å; W77-Y115 AromaticContact CD1-CD1 3.8Å; W77-Y115 AromaticContact CD1-CE1 3.44Å; W77-Y115 VanDerWaalsContact CD1-CE1 3.44Å; W77-Y115 HydrophobicContact CD2-CE1 4.47Å; W77-Y115 HydrophobicContact CG-CD1 4.08Å; W77-Y115 AromaticContact CG-CE1 3.64Å; W77-Y115 HydrophobicContact CG-CE1 3.64Å; W77-S124 WeakPolarHBondContact CZ2-O 3.23Å; W77-S124 PolarHBondContact NE1-O 3.16Å; W77-P126 HydrophobicContact CH2-CB 3.78Å; W77-P126 HydrophobicContact CZ2-CB 3.9Å; W77-P126 HydrophobicContact CZ2-CG 4.33Å; W77-P126 HydrophobicContact CZ3-CB 4.23Å
78E94.6Very high91.9Very high19 Ų1944.1 Ų44.19%0.08927%0.27CS..EExtended strand (participates in β ladder)trans-135.1124.9172.1-57.7-70.6172.500106.8R104 Y116 A119 R121 S124E78-R104 VanDerWaalsContact CD-NH2 3.34Å; E78-R104 IonicContact OE1-CZ 2.81Å; E78-R104 IonicContact OE1-NH2 3.17Å; E78-R104 PolarHBondContact OE1-NH2 2.87Å; E78-R104 IonicContact OE2-NH2 3.07Å; E78-Y116 WeakPolarHBondContact O-CB 3.49Å; E78-Y116 PolarHBondContact O-N 2.96Å; E78-Y116 VanDerWaalsContact O-N 3.16Å; E78-A119 HydrophobicContact CB-CB 3.8Å; E78-R121 IonicContact OE1-NE 2.91Å; E78-R121 IonicContact OE1-NH2 3.43Å; E78-R121 IonicContact OE2-NH2 3.67Å; E78-S124 PolarHBondContact OE1-OG 2.76Å; E78-S124 VanDerWaalsContact OE1-OG 3.1Å
79D92.2Very high92.1Very high36 Ų3640.9 Ų40.919%0.19325%0.252CS..  trans-82.2159.6-168-154-3.9000112.3I76 S81 P84 T85 H102I76-D79 HydrophobicContact CG2-CB 4Å; D79-S81 PolarHBondContact O-N 2.72Å; D79-P84 WeakPolarHBondContact OD2-CA 3.12Å; D79-P84 WeakPolarHBondContact OD2-CB 3.42Å; D79-T85 VanDerWaalsContact CG-N 3.34Å; D79-T85 WeakPolarHBondContact OD1-CB 3.11Å; D79-T85 PolarHBondContact OD1-N 2.89Å; D79-T85 PolarHBondContact OD1-OG1 2.91Å; D79-T85 PolarHBondContact OD2-N 2.9Å; D79-H102 VanDerWaalsContact CG-CE1 3.45Å; D79-H102 IonicContact OD1-CE1 3.81Å; D79-H102 IonicContact OD2-CE1 2.64Å; D79-H102 PolarHBondContact OD2-CE1 3Å; D79-H102 IonicContact OD2-ND1 3.19Å; D79-H102 IonicContact OD2-NE2 3.71Å
80Y87.6Confident92.6Very high13 Ų1337 Ų375%0.05122%0.219CC..  trans-63.6127.6170.3-178.2-146.8000110D82 Y116 F139 M141 F349 L353Y80-D82 HydrophobicContact CD1-CB 4.41Å; Y80-D82 HydrophobicContact CE1-CB 3.84Å; Y80-D82 HydrophobicContact CE2-CB 4.05Å; Y80-D82 WeakPolarHBondContact CE2-OD2 2.77Å; Y80-D82 PolarHBondContact O-N 3.16Å; Y80-D82 PolarHBondContact OH-OD2 3.44Å; Y80-Y116 HydrophobicContact CD2-CD1 4.4Å; Y80-Y116 AromaticContact CD2-CD2 3.88Å; Y80-Y116 HydrophobicContact CD2-CD2 3.88Å; Y80-Y116 AromaticContact CD2-CE1 3.98Å; Y80-Y116 HydrophobicContact CD2-CE1 3.98Å; Y80-Y116 AromaticContact CD2-CE2 3.4Å; Y80-Y116 HydrophobicContact CD2-CE2 3.4Å; Y80-Y116 VanDerWaalsContact CD2-CE2 3.4Å; Y80-Y116 HydrophobicContact CD2-CG 4.36Å; Y80-Y116 AromaticContact CD2-CZ 3.48Å; Y80-Y116 VanDerWaalsContact CD2-CZ 3.48Å; Y80-Y116 AromaticContact CE2-CE2 3.84Å; Y80-Y116 HydrophobicContact CE2-CE2 3.84Å; Y80-Y116 AromaticContact CE2-CZ 3.76Å; Y80-Y116 HydrophobicContact CG-CE2 4.43Å; Y80-F139 HydrophobicContact CG-CE1 4.37Å; Y80-M141 HydrophobicContact CE2-CB 4.28Å; Y80-M141 HydrophobicContact CE2-CG 4.41Å; Y80-F349 HydrophobicContact CE1-CE2 4.25Å; Y80-F349 AromaticContact CE1-CZ 4Å; Y80-F349 HydrophobicContact CE1-CZ 4Å; Y80-L353 HydrophobicContact CD1-CD2 4.27Å
81S79.6Confident92.9Very high83 Ų8335.2 Ų35.258%0.5821%0.213SC*.SBendtrans-63.1-28-172.354.10000114.4D79D79-S81 PolarHBondContact O-N 2.72Å
82D77.7Confident92.8Very high102 Ų10240 Ų4055%0.54523%0.233SC..SBendtrans-89.5-29.3-169.4-59.1-19.3000112.1Y80Y80-D82 HydrophobicContact CD1-CB 4.41Å; Y80-D82 HydrophobicContact CE1-CB 3.84Å; Y80-D82 HydrophobicContact CE2-CB 4.05Å; Y80-D82 WeakPolarHBondContact CE2-OD2 2.77Å; Y80-D82 PolarHBondContact O-N 3.16Å; Y80-D82 PolarHBondContact OH-OD2 3.44Å
83T80Confident92.8Very high53 Ų5339.4 Ų39.433%0.32523%0.23SC..SBendtrans-156.1130.6176.8-54.90000110.2T85 Y89T83-T85 PolarHBondContact O-N 3.4Å; T83-Y89 WeakPolarHBondContact CB-OH 3.42Å; T83-Y89 WeakPolarHBondContact CG2-OH 3.47Å
84P88.7Confident92.8Very high94 Ų9446.1 Ų46.161%0.6126%0.262SS*.  trans-58.2129.8179.2-26.234.5000113.2D79 S86D79-P84 WeakPolarHBondContact OD2-CA 3.12Å; D79-P84 WeakPolarHBondContact OD2-CB 3.42Å; P84-S86 PolarHBondContact O-N 3.11Å
85T92.9Very high92.7Very high4 Ų453.3 Ų53.33%0.02530%0.295CS..  trans-72.6126.5178.7-51.40000109.5I76 D79 T83 Y89 V100 H102 M357I76-T85 HydrophobicContact CD1-CG2 3.72Å; I76-T85 HydrophobicContact CG1-CG2 3.99Å; D79-T85 VanDerWaalsContact CG-N 3.34Å; D79-T85 WeakPolarHBondContact OD1-CB 3.11Å; D79-T85 PolarHBondContact OD1-N 2.89Å; D79-T85 PolarHBondContact OD1-OG1 2.91Å; D79-T85 PolarHBondContact OD2-N 2.9Å; T83-T85 PolarHBondContact O-N 3.4Å; T85-Y89 HydrophobicContact CG2-CD2 3.98Å; T85-Y89 HydrophobicContact CG2-CE2 4.49Å; T85-V100 HydrophobicContact CG2-CG1 4.19Å; T85-H102 PolarHBondContact O-NE2 3.27Å; T85-M357 HydrophobicContact CG2-CE 3.96Å; T85-M357 HydrophobicContact CG2-SD 4.19Å
86S95Very high92.6Very high51 Ų5155.3 Ų55.336%0.35731%0.306SS..  trans-144.2174.9-17672.60000112.2P84 A88 Y89P84-S86 PolarHBondContact O-N 3.11Å; S86-A88 PolarHBondContact O-N 3.46Å; S86-A88 VanDerWaalsContact O-N 3.09Å; S86-A88 WeakPolarHBondContact OG-CB 3.4Å; S86-A88 PolarHBondContact OG-N 3.4Å; S86-Y89 PolarHBondContact O-N 3.39Å; S86-Y89 VanDerWaalsContact O-N 3.08Å
87N95.5Very high92.6Very high68 Ų6857.2 Ų57.236%0.36432%0.316SS..G310 helixtrans-58.2-19.7174.8-74.2-38000113.6Y89 L90 H99 V100N87-Y89 PolarHBondContact O-N 3.14Å; N87-L90 PolarHBondContact O-N 3.13Å; N87-H99 PolarHBondContact ND2-CE1 2.99Å; N87-H99 VanDerWaalsContact ND2-CE1 3.26Å; N87-H99 PolarHBondContact ND2-ND1 3.21Å; N87-H99 WeakPolarHBondContact OD1-CA 3.46Å; N87-V100 PolarHBondContact OD1-N 3.22Å
88A95Very high92.6Very high61 Ų6156.9 Ų56.950%0.50432%0.317SS..G310 helixtrans-57.7-32174.200000112.3S86 L90 S91S86-A88 PolarHBondContact O-N 3.46Å; S86-A88 VanDerWaalsContact O-N 3.09Å; S86-A88 WeakPolarHBondContact OG-CB 3.4Å; S86-A88 PolarHBondContact OG-N 3.4Å; A88-L90 PolarHBondContact O-N 3.03Å; A88-S91 VanDerWaalsContact O-CB 3.26Å; A88-S91 WeakPolarHBondContact O-CB 3.46Å; A88-S91 PolarHBondContact O-N 3.42Å; A88-S91 PolarHBondContact O-OG 2.87Å
89Y95.5Very high92.8Very high15 Ų1557 Ų576%0.05932%0.317CS..G310 helixtrans-74.7-7177.1-63.6-44.3000114.3T83 T85 S86 N87 P350 L353 E354T83-Y89 WeakPolarHBondContact CB-OH 3.42Å; T83-Y89 WeakPolarHBondContact CG2-OH 3.47Å; T85-Y89 HydrophobicContact CG2-CD2 3.98Å; T85-Y89 HydrophobicContact CG2-CE2 4.49Å; S86-Y89 PolarHBondContact O-N 3.39Å; S86-Y89 VanDerWaalsContact O-N 3.08Å; N87-Y89 PolarHBondContact O-N 3.14Å; Y89-P350 HydrophobicContact CD1-CB 4.44Å; Y89-P350 HydrophobicContact CE1-CB 3.65Å; Y89-P350 HydrophobicContact CE1-CG 4.02Å; Y89-L353 HydrophobicContact CD1-CD2 4.43Å; Y89-L353 HydrophobicContact CD1-CG 4.46Å; Y89-L353 HydrophobicContact CD2-CD2 4.03Å; Y89-L353 HydrophobicContact CD2-CG 4.33Å; Y89-L353 HydrophobicContact CE1-CD2 4.06Å; Y89-L353 HydrophobicContact CE2-CD2 3.57Å; Y89-L353 HydrophobicContact CE2-CG 4.35Å; Y89-L353 HydrophobicContact CG-CD2 4.43Å; Y89-L353 HydrophobicContact CG-CG 4.38Å; Y89-E354 HydrophobicContact CD1-CG 4.04Å; Y89-E354 WeakPolarHBondContact O-CA 3.32Å
90L97.1Very high93.1Very high10 Ų1055.7 Ų55.75%0.05231%0.31CS..G310 helixtrans-101.42.3172.9-63.5176.1000112.8N87 A88 K92 C93 E94 C98 V100 M357 C361N87-L90 PolarHBondContact O-N 3.13Å; A88-L90 PolarHBondContact O-N 3.03Å; L90-K92 PolarHBondContact O-N 3.02Å; L90-C93 CarbonylContact O-C 3.57Å; L90-C93 PolarHBondContact O-N 3.04Å; L90-E94 PolarHBondContact O-N 2.81Å; L90-C98 HydrophobicContact CD1-CB 3.84Å; L90-V100 HydrophobicContact CD1-CG2 3.75Å; L90-V100 HydrophobicContact CG-CG2 4.22Å; L90-M357 HydrophobicContact CD2-CB 3.91Å; L90-C361 HydrophobicContact CD2-CB 4.19Å
91S95.7Very high93.6Very high48 Ų4855.2 Ų55.234%0.33631%0.309SS..THydrogen-bonded Turntrans-61.1-15.8-17662.50000114.8A88A88-S91 VanDerWaalsContact O-CB 3.26Å; A88-S91 WeakPolarHBondContact O-CB 3.46Å; A88-S91 PolarHBondContact O-N 3.42Å; A88-S91 PolarHBondContact O-OG 2.87Å
92K95.4Very high94.3Very high141 Ų14155.4 Ų55.461%0.61330%0.3SS*.THydrogen-bonded Turntrans-91.9-4177.5-56.3-54.7179.8-163.80113.9L90 E354L90-K92 PolarHBondContact O-N 3.02Å; K92-E354 HydrophobicContact CG-CB 4.38Å
93C97.7Very high95.2Very high6 Ų652.2 Ų52.24%0.04128%0.283CS..  trans-148.638.5-175.257.60000111.6L90 E95 L96 C358L90-C93 CarbonylContact O-C 3.57Å; L90-C93 PolarHBondContact O-N 3.04Å; C93-E95 VanDerWaalsContact CA-OE2 3.25Å; C93-E95 WeakPolarHBondContact CA-OE2 2.83Å; C93-E95 PolarHBondContact O-N 2.96Å; C93-E95 VanDerWaalsContact O-N 3.15Å; C93-L96 HydrophobicContact CB-CD1 3.73Å; C93-L96 HydrophobicContact CB-CG 4.05Å; C93-L96 WeakPolarHBondContact O-CB 3.45Å; C93-L96 PolarHBondContact O-N 2.56Å; C93-C358 HydrophobicContact CB-CB 3.73Å; C93-C358 WeakPolarHBondContact CB-SG 3.38Å; C93-C358 WeakPolarHBondContact SG-CA 3.24Å; C93-C358 WeakPolarHBondContact SG-CB 3.45Å; C93-C358 CovalentContact SG-SG 2.04Å; C93-C358 PolarHBondContact SG-SG 3.47Å
94E96.6Very high95.9Very high142 Ų14253.7 Ų53.766%0.66428%0.283SS*.G310 helixtrans-57.6-28.5-178.6-64.4-177.417900112.1L90 L96 N97L90-E94 PolarHBondContact O-N 2.81Å; E94-L96 PolarHBondContact O-N 3.11Å; E94-N97 WeakPolarHBondContact O-CA 3.4Å; E94-N97 PolarHBondContact O-N 3.33Å
95E96.5Very high96.2Very high151 Ų15153.9 Ų53.971%0.70628%0.279SS*.G310 helixtrans-62.9-24.6175.472.6-74.3174.800113.7C93 N97C93-E95 VanDerWaalsContact CA-OE2 3.25Å; C93-E95 WeakPolarHBondContact CA-OE2 2.83Å; C93-E95 PolarHBondContact O-N 2.96Å; C93-E95 VanDerWaalsContact O-N 3.15Å; E95-N97 PolarHBondContact O-N 2.96Å
96L97.4Very high96.4Very high43 Ų4353.7 Ų53.723%0.22528%0.277CS..G310 helixtrans-76-10.3173.2-57.8179.7000111.8C93 E94 C98 C361 A362 R365C93-L96 HydrophobicContact CB-CD1 3.73Å; C93-L96 HydrophobicContact CB-CG 4.05Å; C93-L96 WeakPolarHBondContact O-CB 3.45Å; C93-L96 PolarHBondContact O-N 2.56Å; E94-L96 PolarHBondContact O-N 3.11Å; L96-C98 PolarHBondContact O-N 2.83Å; L96-C361 HydrophobicContact CB-CB 4.39Å; L96-C361 WeakPolarHBondContact CB-SG 3.32Å; L96-C361 HydrophobicContact CD1-CB 4.2Å; L96-A362 HydrophobicContact CD1-CB 3.81Å; L96-R365 PolarHBondContact O-NE 3.09Å; L96-R365 PolarHBondContact O-NH2 3.08Å
97N96.7Very high96.4Very high43 Ų4352.2 Ų52.223%0.2327%0.266CS..  trans54.446.4166.6-170.229.9000113.9N70 Q71 L72 E94 E95 R365N70-N97 PolarHBondContact ND2-ND2 2.8Å; N70-N97 PolarHBondContact OD1-ND2 2.82Å; Q71-N97 WeakPolarHBondContact CA-O 3.33Å; Q71-N97 WeakPolarHBondContact CG-OD1 3.27Å; Q71-N97 PolarHBondContact NE2-OD1 3.28Å; L72-N97 PolarHBondContact N-O 3.18Å; E94-N97 WeakPolarHBondContact O-CA 3.4Å; E94-N97 PolarHBondContact O-N 3.33Å; E95-N97 PolarHBondContact O-N 2.96Å; N97-R365 PolarHBondContact O-NH2 3.48Å
98C98.2Very high96.3Very high12 Ų1252 Ų528%0.08127%0.268CS..EExtended strand (participates in β ladder)trans-94.9161.3168.3-63.80000111.4L72 I74 L90 L96 C361L72-C98 CarbonylContact O-C 3.58Å; L72-C98 VanDerWaalsContact O-CA 3.26Å; L72-C98 WeakPolarHBondContact O-CA 3.14Å; I74-C98 HydrophobicContact CD1-CB 4.02Å; I74-C98 HydrophobicContact CG1-CB 4.5Å; L90-C98 HydrophobicContact CD1-CB 3.84Å; L96-C98 PolarHBondContact O-N 2.83Å; C98-C361 HydrophobicContact CB-CB 3.82Å; C98-C361 WeakPolarHBondContact CB-SG 3.37Å; C98-C361 WeakPolarHBondContact SG-CA 3.32Å; C98-C361 WeakPolarHBondContact SG-CB 3.47Å; C98-C361 CovalentContact SG-SG 2.02Å; C98-C361 PolarHBondContact SG-SG 2.95Å
99H98.1Very high96.3Very high21 Ų2152.8 Ų52.810%0.09726%0.26CS..EExtended strand (participates in β ladder)trans-134.3128.3174.2177.894.9000110.8E65 Q71 L72 L73 I74 N87E65-H99 IonicContact OE2-NE2 3.31Å; E65-H99 PolarHBondContact OE2-NE2 3.12Å; Q71-H99 HydrophobicContact CB-CB 4.44Å; L72-H99 PolarHBondContact O-N 2.87Å; L73-H99 HydrophobicContact CD2-CB 3.84Å; I74-H99 PolarHBondContact N-O 3.43Å; N87-H99 PolarHBondContact ND2-CE1 2.99Å; N87-H99 VanDerWaalsContact ND2-CE1 3.26Å; N87-H99 PolarHBondContact ND2-ND1 3.21Å; N87-H99 WeakPolarHBondContact OD1-CA 3.46Å
100V98Very high96.4Very high8 Ų852.2 Ų52.25%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-85.1130174.9-179.60000109.4I74 I76 T85 N87 L90 M357I74-V100 WeakPolarHBondContact O-CA 3.36Å; I76-V100 HydrophobicContact CD1-CG1 4.13Å; I76-V100 HydrophobicContact CG1-CG1 3.55Å; T85-V100 HydrophobicContact CG2-CG1 4.19Å; N87-V100 PolarHBondContact OD1-N 3.22Å; L90-V100 HydrophobicContact CD1-CG2 3.75Å; L90-V100 HydrophobicContact CG-CG2 4.22Å; V100-M357 HydrophobicContact CG2-CE 3.85Å
101T97.4Very high96.4Very high3 Ų352.7 Ų52.72%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-136.9153.3175.9-176.80000111.5E65 I74 L75 I76 N103 L106E65-T101 VanDerWaalsContact CD-OG1 3.31Å; E65-T101 PolarHBondContact OE1-OG1 3.04Å; E65-T101 VanDerWaalsContact OE2-CB 3.23Å; E65-T101 WeakPolarHBondContact OE2-CB 3.3Å; E65-T101 PolarHBondContact OE2-OG1 3.38Å; I74-T101 PolarHBondContact O-N 3.07Å; L75-T101 WeakPolarHBondContact CA-O 3.16Å; L75-T101 HydrophobicContact CB-CG2 4.41Å; L75-T101 HydrophobicContact CD1-CG2 4.07Å; I76-T101 PolarHBondContact N-O 3.34Å; T101-N103 WeakPolarHBondContact OG1-CB 3.2Å; T101-N103 PolarHBondContact OG1-N 3.23Å; T101-N103 VanDerWaalsContact OG1-N 3.11Å; T101-L106 HydrophobicContact CG2-CB 4.42Å; T101-L106 HydrophobicContact CG2-CD1 3.97Å
102H96.2Very high96.5Very high87 Ų8750.4 Ų50.440%0.40325%0.248SC..  trans-108.3-0.7172.2-69-89.4000112.1I76 D79 T85 R104I76-H102 VanDerWaalsContact CB-CE1 3.48Å; I76-H102 WeakPolarHBondContact CB-CE1 3.37Å; D79-H102 VanDerWaalsContact CG-CE1 3.45Å; D79-H102 IonicContact OD1-CE1 3.81Å; D79-H102 IonicContact OD2-CE1 2.64Å; D79-H102 PolarHBondContact OD2-CE1 3Å; D79-H102 IonicContact OD2-ND1 3.19Å; D79-H102 IonicContact OD2-NE2 3.71Å; T85-H102 PolarHBondContact O-NE2 3.27Å; H102-R104 PolarHBondContact O-N 2.92Å
103N96.3Very high96.7Very high36 Ų3643.7 Ų43.719%0.19322%0.219CC..  trans-82.6101.3-173.5-174.3-9.2000110.7E65 T101 N105 L106E65-N103 WeakPolarHBondContact OE1-CB 3.47Å; E65-N103 PolarHBondContact OE1-ND2 3.34Å; T101-N103 WeakPolarHBondContact OG1-CB 3.2Å; T101-N103 PolarHBondContact OG1-N 3.23Å; T101-N103 VanDerWaalsContact OG1-N 3.11Å; N103-N105 PolarHBondContact O-N 3.26Å; N103-N105 VanDerWaalsContact OD1-CB 3.29Å; N103-N105 WeakPolarHBondContact OD1-CB 3.36Å; N103-N105 PolarHBondContact OD1-N 3.11Å; N103-N105 PolarHBondContact OD1-ND2 2.68Å; N103-L106 HydrophobicContact CB-CD1 4.16Å; N103-L106 HydrophobicContact CB-CG 4.41Å; N103-L106 WeakPolarHBondContact O-CB 3.46Å; N103-L106 PolarHBondContact O-N 3.41Å
104R94.9Very high96.7Very high84 Ų8443.5 Ų43.532%0.31722%0.217SC..G310 helixtrans-60.2-18-177.5-61-175.6178-166-2.8113.8W77 E78 H102 L106 L107 S124W77-R104 HydrophobicContact CE3-CG 4.02Å; W77-R104 HydrophobicContact CH2-CB 4.1Å; W77-R104 HydrophobicContact CH2-CG 4.02Å; W77-R104 HydrophobicContact CZ3-CB 3.86Å; W77-R104 HydrophobicContact CZ3-CG 3.7Å; W77-R104 PolarHBondContact O-NH2 2.6Å; E78-R104 VanDerWaalsContact CD-NH2 3.34Å; E78-R104 IonicContact OE1-CZ 2.81Å; E78-R104 IonicContact OE1-NH2 3.17Å; E78-R104 PolarHBondContact OE1-NH2 2.87Å; E78-R104 IonicContact OE2-NH2 3.07Å; H102-R104 PolarHBondContact O-N 2.92Å; R104-L106 PolarHBondContact O-N 2.92Å; R104-L107 VanDerWaalsContact O-CB 3.3Å; R104-L107 WeakPolarHBondContact O-CB 3.47Å; R104-L107 PolarHBondContact O-N 3.01Å; R104-S124 PolarHBondContact NH1-O 2.86Å
105N94.4Very high96.7Very high97 Ų9736.7 Ų36.752%0.51919%0.185SC..G310 helixtrans-65.5-18.5172.1-63-38.7000112.7V58 A61 N103 P108V58-N105 WeakPolarHBondContact CG2-O 3.01Å; A61-N105 HydrophobicContact CB-CB 4.26Å; N103-N105 PolarHBondContact O-N 3.26Å; N103-N105 VanDerWaalsContact OD1-CB 3.29Å; N103-N105 WeakPolarHBondContact OD1-CB 3.36Å; N103-N105 PolarHBondContact OD1-N 3.11Å; N103-N105 PolarHBondContact OD1-ND2 2.68Å; N105-P108 WeakPolarHBondContact O-CD 3.06Å
106L96.1Very high96.8Very high0 Ų029.6 Ų29.60%015%0.152CC..G310 helixtrans-88.60.7177-65174.2000113.6V58 A61 A62 I67 L73 T101 N103 R104 P108 K109 A110V58-L106 HydrophobicContact CG1-CD2 4.27Å; A61-L106 HydrophobicContact CB-CD2 3.77Å; A61-L106 HydrophobicContact CB-CG 4.05Å; A62-L106 HydrophobicContact CB-CD2 3.97Å; I67-L106 HydrophobicContact CD1-CD1 3.44Å; I67-L106 VanDerWaalsContact CD1-CD1 3.44Å; L73-L106 HydrophobicContact CD1-CB 4.25Å; L73-L106 HydrophobicContact CD1-CD1 4.26Å; L73-L106 HydrophobicContact CD1-CD2 4.45Å; T101-L106 HydrophobicContact CG2-CB 4.42Å; T101-L106 HydrophobicContact CG2-CD1 3.97Å; N103-L106 HydrophobicContact CB-CD1 4.16Å; N103-L106 HydrophobicContact CB-CG 4.41Å; N103-L106 WeakPolarHBondContact O-CB 3.46Å; N103-L106 PolarHBondContact O-N 3.41Å; R104-L106 PolarHBondContact O-N 2.92Å; L106-P108 VanDerWaalsContact C-N 3.27Å; L106-K109 CarbonylContact O-C 3.57Å; L106-K109 WeakPolarHBondContact O-CA 3.31Å; L106-K109 PolarHBondContact O-N 3.35Å; L106-A110 PolarHBondContact O-N 3.4Å
107L96Very high96.8Very high21 Ų2127.5 Ų27.511%0.1114%0.141CC..G310 helixtrans-47.7-41.9175.3175.670000113.6L75 W77 R104 K109 A110 V113 P126 P127 Q134L75-L107 HydrophobicContact CD2-CB 3.84Å; L75-L107 HydrophobicContact CD2-CD1 3.91Å; W77-L107 HydrophobicContact CH2-CD2 4.22Å; W77-L107 HydrophobicContact CZ3-CB 4.33Å; W77-L107 HydrophobicContact CZ3-CD1 4.17Å; W77-L107 HydrophobicContact CZ3-CD2 4.12Å; W77-L107 HydrophobicContact CZ3-CG 4.44Å; R104-L107 VanDerWaalsContact O-CB 3.3Å; R104-L107 WeakPolarHBondContact O-CB 3.47Å; R104-L107 PolarHBondContact O-N 3.01Å; L107-K109 PolarHBondContact O-N 3.25Å; L107-A110 PolarHBondContact O-N 3.12Å; L107-V113 HydrophobicContact CD1-CG2 3.55Å; L107-P126 HydrophobicContact CD1-CB 4.29Å; L107-P126 HydrophobicContact CD2-CB 3.51Å; L107-P127 HydrophobicContact CD2-CG 4.43Å; L107-Q134 PolarHBondContact O-NE2 3.25Å
108P94Very high96.7Very high63 Ų6331.2 Ų31.241%0.40915%0.152SC..G310 helixtrans-66.6-15.6178-2235.4000115.1V58 N105 L106V58-P108 HydrophobicContact CG2-CB 4.2Å; V58-P108 HydrophobicContact CG2-CG 3.91Å; N105-P108 WeakPolarHBondContact O-CD 3.06Å; L106-P108 VanDerWaalsContact C-N 3.27Å
109K94.1Very high96.6Very high77 Ų7732.2 Ų32.234%0.33516%0.161SC..G310 helixtrans-107.8-11.1177.5-168.1-178.6173.1-167.60112.2V58 L73 L106 L107 A111V58-K109 HydrophobicContact CG1-CB 4.13Å; L73-K109 HydrophobicContact CD1-CB 4.08Å; L73-K109 HydrophobicContact CD1-CD 3.85Å; L73-K109 HydrophobicContact CD1-CG 3.9Å; L106-K109 CarbonylContact O-C 3.57Å; L106-K109 WeakPolarHBondContact O-CA 3.31Å; L106-K109 PolarHBondContact O-N 3.35Å; L107-K109 PolarHBondContact O-N 3.25Å; K109-A111 PolarHBondContact O-N 3.02Å
110A96.9Very high96.4Very high4 Ų432 Ų323%0.03316%0.161CC..EExtended strand (participates in β ladder)trans-66.3124.8-177.300000111.4L75 L106 L107 V113 Q134L75-A110 HydrophobicContact CB-CB 3.71Å; L75-A110 HydrophobicContact CD2-CB 4.34Å; L106-A110 PolarHBondContact O-N 3.4Å; L107-A110 PolarHBondContact O-N 3.12Å; A110-V113 HydrophobicContact CB-CG2 4.38Å; A110-Q134 WeakPolarHBondContact O-CG 3.3Å; A110-Q134 PolarHBondContact O-NE2 2.83Å
111A97.7Very high96.2Very high20 Ų2038.5 Ų38.517%0.16518%0.184CC..EExtended strand (participates in β ladder)trans-75.6-31.8172.300000111.1L72 L73 K109 Q134 H135 L364L72-A111 HydrophobicContact CB-CB 4.3Å; L72-A111 HydrophobicContact CD2-CB 4.29Å; L73-A111 PolarHBondContact O-N 2.82Å; K109-A111 PolarHBondContact O-N 3.02Å; A111-Q134 CarbonylContact O-C 3.52Å; A111-Q134 WeakPolarHBondContact O-CA 3.13Å; A111-H135 PolarHBondContact O-N 3.48Å; A111-L364 HydrophobicContact CB-CD1 4.14Å; A111-L364 HydrophobicContact CB-CD2 4.4Å
112A98.5Very high96.1Very high0 Ų041.7 Ų41.70%020%0.201CC..EExtended strand (participates in β ladder)trans-133150.8171.100000112.2L73 L75 H135 V137 L360 L364L73-A112 PolarHBondContact O-N 3.18Å; L73-A112 VanDerWaalsContact O-N 3.15Å; L75-A112 PolarHBondContact N-O 2.88Å; A112-H135 CarbonylContact C-O 3.6Å; A112-H135 VanDerWaalsContact CA-O 3.26Å; A112-H135 WeakPolarHBondContact CA-O 3.48Å; A112-H135 HydrophobicContact CB-CB 4.18Å; A112-V137 HydrophobicContact CB-CG2 4.3Å; A112-L360 HydrophobicContact CB-CD1 4.22Å; A112-L364 HydrophobicContact CB-CD1 3.67Å; A112-L364 HydrophobicContact CB-CD2 3.86Å; A112-L364 HydrophobicContact CB-CG 4.35Å
113V98.5Very high96Very high0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-123.1115.3168.5-170.70000108.2L75 W77 L107 A110 Y115 Q134 H135 Y136 V137L75-V113 HydrophobicContact CB-CG2 4.48Å; L75-V113 HydrophobicContact CD2-CG1 4.5Å; L75-V113 HydrophobicContact CD2-CG2 4.43Å; L75-V113 CarbonylContact O-C 3.52Å; L75-V113 VanDerWaalsContact O-CA 3.27Å; L75-V113 WeakPolarHBondContact O-CA 3.33Å; W77-V113 HydrophobicContact CB-CG1 3.64Å; W77-V113 HydrophobicContact CD2-CG1 4.28Å; W77-V113 HydrophobicContact CE3-CG1 4.03Å; W77-V113 HydrophobicContact CG-CG1 4.15Å; L107-V113 HydrophobicContact CD1-CG2 3.55Å; A110-V113 HydrophobicContact CB-CG2 4.38Å; V113-Y115 HydrophobicContact CB-CE2 3.89Å; V113-Y115 HydrophobicContact CG1-CD2 4.39Å; V113-Y115 HydrophobicContact CG1-CE1 4.29Å; V113-Y115 HydrophobicContact CG1-CE2 3.58Å; V113-Y115 WeakPolarHBondContact CG1-OH 3.41Å; V113-Y115 WeakPolarHBondContact O-CD2 3.37Å; V113-Y115 WeakPolarHBondContact O-CE2 3.36Å; V113-Q134 HydrophobicContact CG2-CG 4.24Å; V113-H135 PolarHBondContact N-O 3.27Å; V113-Y136 HydrophobicContact CB-CD1 3.66Å; V113-Y136 HydrophobicContact CB-CE1 3.8Å; V113-Y136 HydrophobicContact CG1-CE1 4.49Å; V113-Y136 HydrophobicContact CG2-CD1 3.87Å; V113-Y136 HydrophobicContact CG2-CE1 3.58Å; V113-Y136 CarbonylContact O-C 3.59Å; V113-Y136 WeakPolarHBondContact O-CA 3.36Å; V113-V137 PolarHBondContact O-N 2.97Å
114V98.4Very high95.8Very high1 Ų142.8 Ų42.81%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-98.9132.6-176.2-175.10000109.7I74 L75 I76 W77 V137 F139 M164 L360I74-V114 HydrophobicContact CG2-CG2 3.69Å; L75-V114 PolarHBondContact O-N 3.18Å; I76-V114 HydrophobicContact CD1-CB 3.87Å; I76-V114 HydrophobicContact CD1-CG1 4.44Å; I76-V114 HydrophobicContact CD1-CG2 4.02Å; W77-V114 WeakPolarHBondContact CB-O 3.48Å; W77-V114 PolarHBondContact N-O 3.28Å; V114-V137 HydrophobicContact CG1-CB 4.49Å; V114-V137 HydrophobicContact CG2-CB 4.17Å; V114-V137 HydrophobicContact CG2-CG2 4.27Å; V114-F139 HydrophobicContact CG1-CB 3.73Å; V114-F139 HydrophobicContact CG1-CD1 4.06Å; V114-F139 HydrophobicContact CG1-CG 4.24Å; V114-M164 HydrophobicContact CG1-CE 4.05Å; V114-L360 HydrophobicContact CG2-CD2 3.71Å
115Y97.5Very high95.9Very high0 Ų040.9 Ų40.90%022%0.217CC..EExtended strand (participates in β ladder)trans-120.4108.4-180-59-98000109.8W77 V113 D117 I120 L125 P126 Y136 V137 F139 Y159 Y160W77-Y115 HydrophobicContact CB-CD1 3.94Å; W77-Y115 HydrophobicContact CB-CE1 3.84Å; W77-Y115 AromaticContact CD1-CD1 3.8Å; W77-Y115 AromaticContact CD1-CE1 3.44Å; W77-Y115 VanDerWaalsContact CD1-CE1 3.44Å; W77-Y115 HydrophobicContact CD2-CE1 4.47Å; W77-Y115 HydrophobicContact CG-CD1 4.08Å; W77-Y115 AromaticContact CG-CE1 3.64Å; W77-Y115 HydrophobicContact CG-CE1 3.64Å; V113-Y115 HydrophobicContact CB-CE2 3.89Å; V113-Y115 HydrophobicContact CG1-CD2 4.39Å; V113-Y115 HydrophobicContact CG1-CE1 4.29Å; V113-Y115 HydrophobicContact CG1-CE2 3.58Å; V113-Y115 WeakPolarHBondContact CG1-OH 3.41Å; V113-Y115 WeakPolarHBondContact O-CD2 3.37Å; V113-Y115 WeakPolarHBondContact O-CE2 3.36Å; Y115-D117 PolarHBondContact O-N 2.83Å; Y115-I120 HydrophobicContact CD1-CD1 4.34Å; Y115-I120 HydrophobicContact CD1-CG1 4.42Å; Y115-I120 HydrophobicContact CG-CD1 4.4Å; Y115-L125 HydrophobicContact CE1-CD2 4.23Å; Y115-P126 WeakPolarHBondContact OH-CD 3.46Å; Y115-P126 WeakPolarHBondContact OH-CG 3.41Å; Y115-Y136 HydrophobicContact CE2-CD1 4.1Å; Y115-Y136 AromaticContact CE2-CD2 3.89Å; Y115-Y136 HydrophobicContact CE2-CD2 3.89Å; Y115-Y136 HydrophobicContact CE2-CE2 4.46Å; Y115-Y136 AromaticContact CE2-CG 3.7Å; Y115-Y136 HydrophobicContact CE2-CG 3.7Å; Y115-Y136 WeakPolarHBondContact OH-CD2 3.3Å; Y115-Y136 VanDerWaalsContact OH-CE2 3.24Å; Y115-Y136 WeakPolarHBondContact OH-CE2 3.34Å; Y115-V137 PolarHBondContact N-O 3.14Å; Y115-F139 WeakPolarHBondContact O-CB 3.28Å; Y115-F139 PolarHBondContact O-N 3.24Å; Y115-Y159 HydrophobicContact CE1-CE1 4.42Å; Y115-Y159 HydrophobicContact CE2-CE1 4.26Å; Y115-Y159 PolarHBondContact OH-OH 3Å; Y115-Y160 HydrophobicContact CD2-CD1 4.43Å; Y115-Y160 HydrophobicContact CD2-CE1 4Å; Y115-Y160 HydrophobicContact CG-CE1 4.22Å
116Y97.4Very high95.8Very high1 Ų136.7 Ų36.70%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-71.3108.3166.1-173-111.9000109.4E78 Y80 R118 A119 I120 F139 L140E78-Y116 WeakPolarHBondContact O-CB 3.49Å; E78-Y116 PolarHBondContact O-N 2.96Å; E78-Y116 VanDerWaalsContact O-N 3.16Å; Y80-Y116 HydrophobicContact CD2-CD1 4.4Å; Y80-Y116 AromaticContact CD2-CD2 3.88Å; Y80-Y116 HydrophobicContact CD2-CD2 3.88Å; Y80-Y116 AromaticContact CD2-CE1 3.98Å; Y80-Y116 HydrophobicContact CD2-CE1 3.98Å; Y80-Y116 AromaticContact CD2-CE2 3.4Å; Y80-Y116 HydrophobicContact CD2-CE2 3.4Å; Y80-Y116 VanDerWaalsContact CD2-CE2 3.4Å; Y80-Y116 HydrophobicContact CD2-CG 4.36Å; Y80-Y116 AromaticContact CD2-CZ 3.48Å; Y80-Y116 VanDerWaalsContact CD2-CZ 3.48Å; Y80-Y116 AromaticContact CE2-CE2 3.84Å; Y80-Y116 HydrophobicContact CE2-CE2 3.84Å; Y80-Y116 AromaticContact CE2-CZ 3.76Å; Y80-Y116 HydrophobicContact CG-CE2 4.43Å; Y116-R118 VanDerWaalsContact C-N 3.28Å; Y116-R118 HydrophobicContact CD1-CB 4.29Å; Y116-R118 HydrophobicContact CE1-CB 3.8Å; Y116-R118 HydrophobicContact CE1-CG 4.43Å; Y116-R118 PolarHBondContact O-N 2.82Å; Y116-R118 VanDerWaalsContact O-N 3.1Å; Y116-A119 HydrophobicContact CD1-CB 3.99Å; Y116-A119 PolarHBondContact O-N 3.18Å; Y116-I120 PolarHBondContact O-N 3Å; Y116-F139 WeakPolarHBondContact CA-O 3.41Å; Y116-F139 AromaticContact CD2-CD1 3.8Å; Y116-F139 HydrophobicContact CD2-CD1 3.8Å; Y116-F139 HydrophobicContact CD2-CE1 4.01Å; Y116-F139 HydrophobicContact CD2-CG 4.21Å; Y116-L140 HydrophobicContact CE2-CD1 4.09Å
117D97.3Very high95.4Very high0 Ų041.4 Ų41.40%023%0.225CC..G310 helixtrans-50.8-42.8-165.6171.573000113.9Y115 A119 I120 F138 F139 L140 V147 S148Y115-D117 PolarHBondContact O-N 2.83Å; D117-A119 VanDerWaalsContact C-N 3.25Å; D117-A119 PolarHBondContact O-N 3.26Å; D117-I120 PolarHBondContact O-N 2.99Å; D117-F138 HydrophobicContact CB-CD2 4.27Å; D117-F138 HydrophobicContact CB-CE2 3.65Å; D117-F138 HydrophobicContact CB-CZ 4.37Å; D117-F139 PolarHBondContact N-O 3.47Å; D117-L140 HydrophobicContact CB-CB 4.38Å; D117-L140 HydrophobicContact CB-CD1 4.26Å; D117-L140 HydrophobicContact CB-CD2 4.43Å; D117-V147 WeakPolarHBondContact OD2-CA 3.47Å; D117-S148 VanDerWaalsContact O-CB 3.28Å; D117-S148 WeakPolarHBondContact O-CB 3.48Å; D117-S148 WeakPolarHBondContact OD2-CB 3.34Å; D117-S148 PolarHBondContact OD2-N 3.21Å
118R95.3Very high94.9Very high121 Ų12148.4 Ų48.446%0.45726%0.255SS..G310 helixtrans-70.7-18-178.3-63.1-174.470.1-1750.4114.5Y116 L140 E142 H146Y116-R118 VanDerWaalsContact C-N 3.28Å; Y116-R118 HydrophobicContact CD1-CB 4.29Å; Y116-R118 HydrophobicContact CE1-CB 3.8Å; Y116-R118 HydrophobicContact CE1-CG 4.43Å; Y116-R118 PolarHBondContact O-N 2.82Å; Y116-R118 VanDerWaalsContact O-N 3.1Å; R118-L140 HydrophobicContact CG-CD1 3.8Å; R118-E142 IonicContact NH1-OE1 3.7Å; R118-E142 PolarHBondContact NH1-OE1 2.85Å; R118-H146 WeakPolarHBondContact CD-O 3.5Å; R118-H146 WeakPolarHBondContact CG-O 3.42Å; R118-H146 PolarHBondContact NE-O 3.38Å
119A95Very high94.6Very high33 Ų3351.2 Ų51.227%0.27327%0.273SS..G310 helixtrans-97.4-4.5179.300000112.8E78 Y116 D117 R121E78-A119 HydrophobicContact CB-CB 3.8Å; Y116-A119 HydrophobicContact CD1-CB 3.99Å; Y116-A119 PolarHBondContact O-N 3.18Å; D117-A119 VanDerWaalsContact C-N 3.25Å; D117-A119 PolarHBondContact O-N 3.26Å; A119-R121 PolarHBondContact O-N 2.73Å
120I95.3Very high94.7Very high16 Ų1650.3 Ų50.38%0.08227%0.268CS..  trans-65.4122.1-176.5-58.9175.4000111.9Y115 Y116 D117 L122 L125 A151 L155 Y160Y115-I120 HydrophobicContact CD1-CD1 4.34Å; Y115-I120 HydrophobicContact CD1-CG1 4.42Å; Y115-I120 HydrophobicContact CG-CD1 4.4Å; Y116-I120 PolarHBondContact O-N 3Å; D117-I120 PolarHBondContact O-N 2.99Å; I120-L122 HydrophobicContact CG2-CD2 4.47Å; I120-L125 HydrophobicContact CG2-CD2 3.82Å; I120-A151 HydrophobicContact CB-CB 3.59Å; I120-A151 HydrophobicContact CD1-CB 4.34Å; I120-A151 HydrophobicContact CG2-CB 3.63Å; I120-L155 HydrophobicContact CD1-CD1 3.97Å; I120-L155 HydrophobicContact CG2-CD1 4.03Å; I120-Y160 WeakPolarHBondContact CD1-OH 3.2Å
121R94.2Very high94.6Very high145 Ų14553.4 Ų53.455%0.54728%0.283SS..  trans-101.8114.9165-65.6174.7-67.6-175.5-5.2109.4E78 A119 S123 S124E78-R121 IonicContact OE1-NE 2.91Å; E78-R121 IonicContact OE1-NH2 3.43Å; E78-R121 IonicContact OE2-NH2 3.67Å; A119-R121 PolarHBondContact O-N 2.73Å; R121-S123 PolarHBondContact O-N 2.94Å; R121-S123 VanDerWaalsContact O-N 3.13Å; R121-S124 WeakPolarHBondContact CB-OG 3.31Å; R121-S124 PolarHBondContact O-N 2.64Å; R121-S124 PolarHBondContact O-OG 3.26Å; R121-S124 VanDerWaalsContact O-OG 3.04Å
122L94.2Very high94.5Very high70 Ų7055.9 Ų55.937%0.36630%0.297SS..G310 helixtrans-57.6-31.1-178.7-68.8-174.8000113.5I120 S124 L125 V150 A151 A154 L155I120-L122 HydrophobicContact CG2-CD2 4.47Å; L122-S124 PolarHBondContact O-N 3.19Å; L122-L125 HydrophobicContact CD2-CD1 3.86Å; L122-L125 WeakPolarHBondContact O-CG 3.22Å; L122-V150 HydrophobicContact CD1-CG1 3.64Å; L122-V150 HydrophobicContact CG-CG1 4.44Å; L122-A151 HydrophobicContact CD2-CB 4.1Å; L122-A154 HydrophobicContact CD1-CB 3.79Å; L122-A154 HydrophobicContact CD2-CB 3.94Å; L122-L155 HydrophobicContact CD2-CD1 4.28Å; L122-L155 HydrophobicContact CD2-CD2 4.41Å; L122-L155 HydrophobicContact CD2-CG 4.22Å
123S94.2Very high94.3Very high122 Ų12259.8 Ų59.885%0.85332%0.319SS*.G310 helixtrans-69.7-15.6177.557.70000113.9R121R121-S123 PolarHBondContact O-N 2.94Å; R121-S123 VanDerWaalsContact O-N 3.13Å
124S93.2Very high94.3Very high23 Ų2360 Ų6016%0.16132%0.319CS..G310 helixtrans-114.518.9-177.3670000113W77 E78 R104 R121 L122W77-S124 WeakPolarHBondContact CZ2-O 3.23Å; W77-S124 PolarHBondContact NE1-O 3.16Å; E78-S124 PolarHBondContact OE1-OG 2.76Å; E78-S124 VanDerWaalsContact OE1-OG 3.1Å; R104-S124 PolarHBondContact NH1-O 2.86Å; R121-S124 WeakPolarHBondContact CB-OG 3.31Å; R121-S124 PolarHBondContact O-N 2.64Å; R121-S124 PolarHBondContact O-OG 3.26Å; R121-S124 VanDerWaalsContact O-OG 3.04Å; L122-S124 PolarHBondContact O-N 3.19Å
125L95.2Very high94.3Very high45 Ų4560 Ų6024%0.23632%0.319CS..PPolyproline II helixtrans-64.6150.3173.6-65177000111.1Y115 I120 L122 L155Y115-L125 HydrophobicContact CE1-CD2 4.23Å; I120-L125 HydrophobicContact CG2-CD2 3.82Å; L122-L125 HydrophobicContact CD2-CD1 3.86Å; L122-L125 WeakPolarHBondContact O-CG 3.22Å; L125-L155 HydrophobicContact CD1-CD1 4.35Å; L125-L155 HydrophobicContact CD1-CD2 3.82Å; L125-L155 HydrophobicContact CD2-CD1 4.06Å
126P93Very high94.3Very high8 Ų860.4 Ų60.45%0.05232%0.321CS..PPolyproline II helixtrans-64.3156.3176.426.7-34000111.8W77 L107 Y115 Y136W77-P126 HydrophobicContact CH2-CB 3.78Å; W77-P126 HydrophobicContact CZ2-CB 3.9Å; W77-P126 HydrophobicContact CZ2-CG 4.33Å; W77-P126 HydrophobicContact CZ3-CB 4.23Å; L107-P126 HydrophobicContact CD1-CB 4.29Å; L107-P126 HydrophobicContact CD2-CB 3.51Å; Y115-P126 WeakPolarHBondContact OH-CD 3.46Å; Y115-P126 WeakPolarHBondContact OH-CG 3.41Å; P126-Y136 HydrophobicContact CG-CE2 4.03Å; P126-Y136 WeakPolarHBondContact CG-OH 3.32Å
127P86.7Confident94.4Very high99 Ų9960.4 Ų60.464%0.64332%0.321SS*.PPolyproline II helixtrans-59.4143.6174.526-33.8000111L107L107-P127 HydrophobicContact CD2-CG 4.43Å
128K85.6Confident94.4Very high169 Ų16960.4 Ų60.474%0.73532%0.321SS*.SBendtrans-91.8152.3173.2-68.3-172.3178.5-176.20110.3
129P89.3Confident94.6Very high121 Ų12154.8 Ų54.879%0.78630%0.3SS*.SBendcis-80.4158-1.933.2-34.8000113.3
130R94.4Very high94.7Very high59 Ų5953.2 Ų53.222%0.22329%0.287CS..PPolyproline II helixtrans-57.3144.4165.2177.2178.364.471.6-3.9109.1P132 Q134 Y136 T161 I373R130-P132 PolarHBondContact NH1-O 3.41Å; R130-Q134 VanDerWaalsContact CD-O 3.25Å; R130-Q134 WeakPolarHBondContact CD-O 3.44Å; R130-Q134 HydrophobicContact CG-CB 4.35Å; R130-Q134 PolarHBondContact NH1-O 3.47Å; R130-Y136 HydrophobicContact CB-CE1 4.27Å; R130-Y136 HydrophobicContact CB-CE2 4.13Å; R130-Y136 HydrophobicContact CG-CD1 3.88Å; R130-Y136 HydrophobicContact CG-CD2 4.46Å; R130-Y136 HydrophobicContact CG-CE1 3.66Å; R130-Y136 HydrophobicContact CG-CE2 4.27Å; R130-Y136 HydrophobicContact CG-CG 4.28Å; R130-T161 VanDerWaalsContact CZ-CG2 3.42Å; R130-I373 PolarHBondContact NH2-O 2.88Å
131L94.8Very high94.7Very high68 Ų6852.5 Ų52.536%0.35628%0.283SS..PPolyproline II helixtrans-62.3137.9174-65.3174.1000110.2N133 Q134L131-N133 PolarHBondContact O-N 3Å; L131-N133 VanDerWaalsContact O-N 3.15Å; L131-Q134 HydrophobicContact CB-CB 3.75Å; L131-Q134 PolarHBondContact O-N 3.28Å
132P95.9Very high94.8Very high72 Ų7247.6 Ų47.647%0.46827%0.267SS..THydrogen-bonded Turntrans-54.2-38.1-174.7-29.236.1000114.2R130 Q371 V372 I373R130-P132 PolarHBondContact NH1-O 3.41Å; P132-Q371 CarbonylContact C-O 3.58Å; P132-Q371 WeakPolarHBondContact CB-O 3.46Å; P132-V372 HydrophobicContact CB-CG2 4.32Å; P132-I373 PolarHBondContact O-N 3.39Å
133N96Very high95Very high83 Ų8344.3 Ų44.344%0.44425%0.249SC..THydrogen-bonded Turntrans-99.723.1-179.369-34.7000114L131 V370 I373L131-N133 PolarHBondContact O-N 3Å; L131-N133 VanDerWaalsContact O-N 3.15Å; N133-V370 VanDerWaalsContact CB-O 3.26Å; N133-V370 WeakPolarHBondContact CB-O 3.33Å; N133-I373 VanDerWaalsContact C-CD1 3.41Å
134Q97.1Very high95.2Very high3 Ų338.9 Ų38.91%0.01421%0.212CC..  trans-113134.1177.1174.8176.670.100111.4L107 A110 A111 V113 R130 L131 Y136L107-Q134 PolarHBondContact O-NE2 3.25Å; A110-Q134 WeakPolarHBondContact O-CG 3.3Å; A110-Q134 PolarHBondContact O-NE2 2.83Å; A111-Q134 CarbonylContact O-C 3.52Å; A111-Q134 WeakPolarHBondContact O-CA 3.13Å; V113-Q134 HydrophobicContact CG2-CG 4.24Å; R130-Q134 VanDerWaalsContact CD-O 3.25Å; R130-Q134 WeakPolarHBondContact CD-O 3.44Å; R130-Q134 HydrophobicContact CG-CB 4.35Å; R130-Q134 PolarHBondContact NH1-O 3.47Å; L131-Q134 HydrophobicContact CB-CB 3.75Å; L131-Q134 PolarHBondContact O-N 3.28Å; Q134-Y136 HydrophobicContact CG-CD1 4.44Å; Q134-Y136 HydrophobicContact CG-CE1 4.3Å
135H98.4Very high95.3Very high2 Ų241.2 Ų41.21%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-83.3135.5173-76.5-77.4000112.3A111 A112 V113 V137 T161 L162 L364 D367 I373A111-H135 PolarHBondContact O-N 3.48Å; A112-H135 CarbonylContact C-O 3.6Å; A112-H135 VanDerWaalsContact CA-O 3.26Å; A112-H135 WeakPolarHBondContact CA-O 3.48Å; A112-H135 HydrophobicContact CB-CB 4.18Å; V113-H135 PolarHBondContact N-O 3.27Å; H135-V137 HydrophobicContact CB-CG2 4.3Å; H135-T161 WeakPolarHBondContact CA-OG1 3.19Å; H135-T161 WeakPolarHBondContact CB-OG1 3.41Å; H135-T161 PolarHBondContact ND1-OG1 2.99Å; H135-L162 HydrophobicContact CB-CD1 4.19Å; H135-L162 WeakPolarHBondContact ND1-CD1 3.48Å; H135-L162 WeakPolarHBondContact ND1-CG 3.49Å; H135-L364 HydrophobicContact CB-CD2 4.24Å; H135-L364 WeakPolarHBondContact CD2-CD2 3.28Å; H135-D367 IonicContact CE1-OD2 2.85Å; H135-D367 PolarHBondContact CE1-OD2 3.31Å; H135-D367 IonicContact NE2-OD2 3.09Å; H135-D367 PolarHBondContact NE2-OD2 3.49Å; H135-I373 VanDerWaalsContact CD2-CD1 3.46Å; H135-I373 WeakPolarHBondContact CD2-CD1 3.42Å; H135-I373 VanDerWaalsContact CE1-CG2 3.4Å; H135-I373 WeakPolarHBondContact CE1-CG2 3.3Å; H135-I373 VanDerWaalsContact NE2-CD1 3.33Å; H135-I373 WeakPolarHBondContact NE2-CD1 3.22Å
136Y98.4Very high95.4Very high9 Ų940.5 Ų40.54%0.03522%0.216CC..EExtended strand (participates in β ladder)trans-101.9127.2157.9-78.49.6000108.3V113 Y115 P126 R130 Q134 Y159 T161 L162V113-Y136 HydrophobicContact CB-CD1 3.66Å; V113-Y136 HydrophobicContact CB-CE1 3.8Å; V113-Y136 HydrophobicContact CG1-CE1 4.49Å; V113-Y136 HydrophobicContact CG2-CD1 3.87Å; V113-Y136 HydrophobicContact CG2-CE1 3.58Å; V113-Y136 CarbonylContact O-C 3.59Å; V113-Y136 WeakPolarHBondContact O-CA 3.36Å; Y115-Y136 HydrophobicContact CE2-CD1 4.1Å; Y115-Y136 AromaticContact CE2-CD2 3.89Å; Y115-Y136 HydrophobicContact CE2-CD2 3.89Å; Y115-Y136 HydrophobicContact CE2-CE2 4.46Å; Y115-Y136 AromaticContact CE2-CG 3.7Å; Y115-Y136 HydrophobicContact CE2-CG 3.7Å; Y115-Y136 WeakPolarHBondContact OH-CD2 3.3Å; Y115-Y136 VanDerWaalsContact OH-CE2 3.24Å; Y115-Y136 WeakPolarHBondContact OH-CE2 3.34Å; P126-Y136 HydrophobicContact CG-CE2 4.03Å; P126-Y136 WeakPolarHBondContact CG-OH 3.32Å; R130-Y136 HydrophobicContact CB-CE1 4.27Å; R130-Y136 HydrophobicContact CB-CE2 4.13Å; R130-Y136 HydrophobicContact CG-CD1 3.88Å; R130-Y136 HydrophobicContact CG-CD2 4.46Å; R130-Y136 HydrophobicContact CG-CE1 3.66Å; R130-Y136 HydrophobicContact CG-CE2 4.27Å; R130-Y136 HydrophobicContact CG-CG 4.28Å; Q134-Y136 HydrophobicContact CG-CD1 4.44Å; Q134-Y136 HydrophobicContact CG-CE1 4.3Å; Y136-Y159 HydrophobicContact CD2-CD1 4.26Å; Y136-Y159 AromaticContact CD2-CE1 3.75Å; Y136-Y159 HydrophobicContact CD2-CE1 3.75Å; Y136-Y159 HydrophobicContact CD2-CE2 4.29Å; Y136-Y159 AromaticContact CD2-CZ 3.76Å; Y136-Y159 HydrophobicContact CE2-CE1 4.28Å; Y136-Y159 HydrophobicContact CE2-CE2 4.22Å; Y136-Y159 AromaticContact CE2-CZ 3.82Å; Y136-T161 PolarHBondContact N-OG1 3.42Å; Y136-T161 PolarHBondContact O-N 3.02Å; Y136-T161 PolarHBondContact O-OG1 3.29Å; Y136-L162 PolarHBondContact O-N 2.71Å
137V98.8Very high95.6Very high0 Ų041.6 Ų41.60%022%0.222CC..EExtended strand (participates in β ladder)trans-114119.7-171.8-171.60000109.5A112 V113 V114 Y115 H135 F139 L162 M164 L172 L360A112-V137 HydrophobicContact CB-CG2 4.3Å; V113-V137 PolarHBondContact O-N 2.97Å; V114-V137 HydrophobicContact CG1-CB 4.49Å; V114-V137 HydrophobicContact CG2-CB 4.17Å; V114-V137 HydrophobicContact CG2-CG2 4.27Å; Y115-V137 PolarHBondContact N-O 3.14Å; H135-V137 HydrophobicContact CB-CG2 4.3Å; V137-F139 PolarHBondContact O-N 3.36Å; V137-L162 WeakPolarHBondContact CA-O 3.41Å; V137-L162 HydrophobicContact CG1-CB 4.25Å; V137-L162 HydrophobicContact CG2-CB 4.26Å; V137-L162 HydrophobicContact CG2-CD1 4.43Å; V137-M164 HydrophobicContact CG1-CB 3.9Å; V137-L172 HydrophobicContact CG1-CD1 4.11Å; V137-L360 HydrophobicContact CG2-CD1 3.95Å
138F98.4Very high96Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-72.2121.7167169.4-98.3000108.4D117 L140 F152 Y160 L162 T163 M164 V382 W385 F386D117-F138 HydrophobicContact CB-CD2 4.27Å; D117-F138 HydrophobicContact CB-CE2 3.65Å; D117-F138 HydrophobicContact CB-CZ 4.37Å; F138-L140 HydrophobicContact CE1-CB 3.86Å; F138-L140 HydrophobicContact CE2-CB 4.35Å; F138-L140 HydrophobicContact CZ-CB 3.6Å; F138-L140 HydrophobicContact CZ-CD2 3.9Å; F138-L140 HydrophobicContact CZ-CG 4.41Å; F138-F152 AromaticContact CE2-CD2 3.89Å; F138-F152 HydrophobicContact CE2-CD2 3.89Å; F138-F152 AromaticContact CE2-CE2 3.8Å; F138-F152 HydrophobicContact CE2-CE2 3.8Å; F138-F152 HydrophobicContact CZ-CD2 4.33Å; F138-F152 AromaticContact CZ-CE2 3.9Å; F138-F152 HydrophobicContact CZ-CE2 3.9Å; F138-Y160 HydrophobicContact CB-CD1 3.82Å; F138-Y160 HydrophobicContact CB-CD2 3.9Å; F138-Y160 HydrophobicContact CB-CE1 4.09Å; F138-Y160 HydrophobicContact CB-CE2 4.16Å; F138-Y160 HydrophobicContact CB-CG 3.71Å; F138-Y160 HydrophobicContact CD2-CD2 4.47Å; F138-Y160 AromaticContact CD2-CE2 3.99Å; F138-Y160 HydrophobicContact CD2-CE2 3.99Å; F138-L162 PolarHBondContact N-O 3.46Å; F138-T163 HydrophobicContact CB-CG2 4.43Å; F138-T163 HydrophobicContact CD1-CG2 4.33Å; F138-T163 CarbonylContact O-C 3.55Å; F138-M164 PolarHBondContact O-N 3.04Å; F138-V382 HydrophobicContact CB-CG1 4.19Å; F138-V382 HydrophobicContact CD1-CG1 4.48Å; F138-V382 HydrophobicContact CG-CG1 4.16Å; F138-W385 HydrophobicContact CD1-CZ3 4.03Å; F138-W385 AromaticContact CE1-CZ3 4Å; F138-W385 HydrophobicContact CE1-CZ3 4Å; F138-F386 HydrophobicContact CE1-CD2 4.15Å; F138-F386 HydrophobicContact CE1-CE2 4.36Å; F138-F386 HydrophobicContact CE1-CG 4.26Å; F138-F386 HydrophobicContact CZ-CD1 4.34Å; F138-F386 HydrophobicContact CZ-CG 4.37Å
139F98.2Very high96.4Very high3 Ų334.7 Ų34.71%0.01320%0.198CC..EExtended strand (participates in β ladder)trans-123.3124.9176.9177.8-146.7000111.3Y80 V114 Y115 Y116 D117 V137 M141 M164 L353Y80-F139 HydrophobicContact CG-CE1 4.37Å; V114-F139 HydrophobicContact CG1-CB 3.73Å; V114-F139 HydrophobicContact CG1-CD1 4.06Å; V114-F139 HydrophobicContact CG1-CG 4.24Å; Y115-F139 WeakPolarHBondContact O-CB 3.28Å; Y115-F139 PolarHBondContact O-N 3.24Å; Y116-F139 WeakPolarHBondContact CA-O 3.41Å; Y116-F139 AromaticContact CD2-CD1 3.8Å; Y116-F139 HydrophobicContact CD2-CD1 3.8Å; Y116-F139 HydrophobicContact CD2-CE1 4.01Å; Y116-F139 HydrophobicContact CD2-CG 4.21Å; D117-F139 PolarHBondContact N-O 3.47Å; V137-F139 PolarHBondContact O-N 3.36Å; F139-M141 HydrophobicContact CE2-CG 3.58Å; F139-M141 HydrophobicContact CE2-SD 3.78Å; F139-M141 HydrophobicContact CZ-CG 3.74Å; F139-M141 HydrophobicContact CZ-SD 4.32Å; F139-M164 WeakPolarHBondContact CA-O 3.39Å; F139-M164 HydrophobicContact CB-CB 4.45Å; F139-M164 HydrophobicContact CB-CE 3.91Å; F139-M164 HydrophobicContact CD1-CE 3.67Å; F139-M164 HydrophobicContact CD2-CB 4.1Å; F139-M164 HydrophobicContact CD2-CE 3.36Å; F139-M164 HydrophobicContact CD2-CG 3.96Å; F139-M164 WeakPolarHBondContact CD2-O 2.99Å; F139-M164 HydrophobicContact CE1-CE 3.97Å; F139-M164 HydrophobicContact CE2-CE 3.71Å; F139-M164 HydrophobicContact CE2-CG 4.38Å; F139-M164 HydrophobicContact CG-CE 3.37Å; F139-M164 HydrophobicContact CZ-CE 4.01Å; F139-L353 HydrophobicContact CE1-CD1 4.4Å; F139-L353 HydrophobicContact CE2-CD1 4.32Å; F139-L353 HydrophobicContact CZ-CD1 3.67Å
140L97.6Very high96.7Very high0 Ų033.2 Ų33.20%019%0.186CC..EExtended strand (participates in β ladder)trans-152.4125.2174.3-172.657.5000111.9Y116 D117 R118 F138 E142 V147 M164 S165 F386Y116-L140 HydrophobicContact CE2-CD1 4.09Å; D117-L140 HydrophobicContact CB-CB 4.38Å; D117-L140 HydrophobicContact CB-CD1 4.26Å; D117-L140 HydrophobicContact CB-CD2 4.43Å; R118-L140 HydrophobicContact CG-CD1 3.8Å; F138-L140 HydrophobicContact CE1-CB 3.86Å; F138-L140 HydrophobicContact CE2-CB 4.35Å; F138-L140 HydrophobicContact CZ-CB 3.6Å; F138-L140 HydrophobicContact CZ-CD2 3.9Å; F138-L140 HydrophobicContact CZ-CG 4.41Å; L140-E142 HydrophobicContact CD1-CB 3.84Å; L140-E142 HydrophobicContact CG-CB 4.26Å; L140-E142 WeakPolarHBondContact CG-O 3.29Å; L140-V147 HydrophobicContact CD2-CB 4.46Å; L140-V147 HydrophobicContact CD2-CG1 3.79Å; L140-M164 PolarHBondContact N-O 2.82Å; L140-M164 VanDerWaalsContact N-O 3.15Å; L140-S165 WeakPolarHBondContact O-CA 3.41Å; L140-S165 VanDerWaalsContact O-CB 3.26Å; L140-S165 WeakPolarHBondContact O-CB 3.34Å; L140-F386 HydrophobicContact CD2-CD1 4.37Å; L140-F386 HydrophobicContact CD2-CE1 3.6Å; L140-F386 HydrophobicContact CD2-CZ 4.04Å; L140-F386 HydrophobicContact CG-CE1 4.44Å; L140-F386 HydrophobicContact CG-CZ 4.42Å
141M96.2Very high96.8Very high2 Ų230.5 Ų30.51%0.0118%0.176CC..  trans-95.5-9173.3-67.1-61.1-71.700112.8Y80 F139 T174 F176Y80-M141 HydrophobicContact CE2-CB 4.28Å; Y80-M141 HydrophobicContact CE2-CG 4.41Å; F139-M141 HydrophobicContact CE2-CG 3.58Å; F139-M141 HydrophobicContact CE2-SD 3.78Å; F139-M141 HydrophobicContact CZ-CG 3.74Å; F139-M141 HydrophobicContact CZ-SD 4.32Å; M141-T174 HydrophobicContact CE-CG2 4.41Å; M141-T174 WeakPolarHBondContact CE-O 3.42Å; M141-T174 HydrophobicContact SD-CG2 3.86Å; M141-F176 HydrophobicContact CB-CE1 4.49Å; M141-F176 HydrophobicContact CB-CE2 4.48Å; M141-F176 HydrophobicContact CB-CZ 3.9Å; M141-F176 HydrophobicContact CE-CD1 4.02Å; M141-F176 HydrophobicContact CE-CD2 3.82Å; M141-F176 HydrophobicContact CE-CE1 3.95Å; M141-F176 HydrophobicContact CE-CE2 3.74Å; M141-F176 HydrophobicContact CE-CG 3.98Å; M141-F176 HydrophobicContact CE-CZ 3.82Å; M141-F176 VanDerWaalsContact O-CE2 3.29Å; M141-F176 WeakPolarHBondContact O-CE2 3.27Å; M141-F176 WeakPolarHBondContact O-CZ 3.37Å
142E96.4Very high96.9Very high42 Ų4227.3 Ų27.320%0.19616%0.159CC..SBendtrans-93.9157.4-179.8-75.5-84.3-153.700112.3R118 L140 H146 Y166R118-E142 IonicContact NH1-OE1 3.7Å; R118-E142 PolarHBondContact NH1-OE1 2.85Å; L140-E142 HydrophobicContact CD1-CB 3.84Å; L140-E142 HydrophobicContact CG-CB 4.26Å; L140-E142 WeakPolarHBondContact CG-O 3.29Å; E142-H146 HydrophobicContact CB-CB 3.87Å; E142-H146 IonicContact OE2-CD2 3.38Å; E142-Y166 WeakPolarHBondContact O-CE1 3.35Å
143S97.3Very high96.9Very high0 Ų029.2 Ų29.20%017%0.166CC..  trans-64.1166.9-176.780.20000113.3H145 H146 S271S143-H145 PolarHBondContact O-N 2.6Å; S143-H145 VanDerWaalsContact O-N 3.08Å; S143-H145 PolarHBondContact OG-N 3.02Å; S143-H146 WeakPolarHBondContact O-CA 3.45Å; S143-H146 PolarHBondContact O-N 2.83Å; S143-H146 PolarHBondContact OG-CD2 3.19Å; S143-H146 VanDerWaalsContact OG-CD2 3.31Å; S143-S271 VanDerWaalsContact CB-CB 3.47Å; S143-S271 VanDerWaalsContact OG-CB 3.24Å; S143-S271 WeakPolarHBondContact OG-CB 3.36Å; S143-S271 PolarHBondContact OG-OG 3.16Å
144A97.4Very high96.9Very high9 Ų928.2 Ų28.27%0.07417%0.169CC..G310 helixtrans-60-18.8175.100000114.2H146 F386 I387A144-H146 PolarHBondContact O-N 3.43Å; A144-F386 HydrophobicContact CB-CD1 4.29Å; A144-F386 HydrophobicContact CB-CE1 4.3Å; A144-I387 HydrophobicContact CB-CG1 4.39Å
145H96.8Very high96.9Very high71 Ų7128.5 Ų28.533%0.32917%0.17SC..G310 helixtrans-76.9-11.1171.7-64.4127.1000113.5S143 P214 S271S143-H145 PolarHBondContact O-N 2.6Å; S143-H145 VanDerWaalsContact O-N 3.08Å; S143-H145 PolarHBondContact OG-N 3.02Å; H145-P214 HydrophobicContact CB-CB 4.25Å; H145-P214 HydrophobicContact CB-CG 3.81Å; H145-P214 WeakPolarHBondContact ND1-CB 3.45Å; H145-S271 PolarHBondContact ND1-OG 3.41Å
146H96.3Very high96.8Very high31 Ų3128.8 Ų28.814%0.14417%0.173CC..G310 helixtrans-12424.9-169.1-65-42000112.7R118 E142 S143 A144 F210R118-H146 WeakPolarHBondContact CD-O 3.5Å; R118-H146 WeakPolarHBondContact CG-O 3.42Å; R118-H146 PolarHBondContact NE-O 3.38Å; E142-H146 HydrophobicContact CB-CB 3.87Å; E142-H146 IonicContact OE2-CD2 3.38Å; S143-H146 WeakPolarHBondContact O-CA 3.45Å; S143-H146 PolarHBondContact O-N 2.83Å; S143-H146 PolarHBondContact OG-CD2 3.19Å; S143-H146 VanDerWaalsContact OG-CD2 3.31Å; A144-H146 PolarHBondContact O-N 3.43Å; H146-F210 AromaticContact CE1-CE1 3.63Å; H146-F210 AromaticContact CE1-CZ 3.83Å; H146-F210 AromaticContact NE2-CE1 3.56Å
147V97.3Very high96.7Very high31 Ų3135 Ų3519%0.18820%0.2CC..SBendtrans-63.9158.6165.8-58.60000111.2D117 L140 S149 F152 F386 I387D117-V147 WeakPolarHBondContact OD2-CA 3.47Å; L140-V147 HydrophobicContact CD2-CB 4.46Å; L140-V147 HydrophobicContact CD2-CG1 3.79Å; V147-S149 PolarHBondContact O-N 3.23Å; V147-F152 HydrophobicContact CB-CB 4.01Å; V147-F152 HydrophobicContact CB-CD1 4.34Å; V147-F152 HydrophobicContact CB-CD2 3.65Å; V147-F152 HydrophobicContact CB-CE2 4.2Å; V147-F152 HydrophobicContact CB-CG 3.73Å; V147-F152 HydrophobicContact CG1-CD2 3.66Å; V147-F152 HydrophobicContact CG1-CE2 3.68Å; V147-F152 HydrophobicContact CG1-CG 4.13Å; V147-F152 HydrophobicContact CG1-CZ 4.17Å; V147-F152 HydrophobicContact CG2-CB 4.19Å; V147-F152 HydrophobicContact CG2-CD1 4.13Å; V147-F152 HydrophobicContact CG2-CD2 4.33Å; V147-F152 HydrophobicContact CG2-CG 3.95Å; V147-F386 HydrophobicContact CG1-CD1 4.02Å; V147-F386 HydrophobicContact CG1-CE1 4.16Å; V147-I387 HydrophobicContact CG2-CD1 4.17Å
148S96.6Very high96.3Very high20 Ų2040.9 Ų40.914%0.1423%0.232CC..  trans-60124.6171.1157.60000110.4D117 V150 A151 F152D117-S148 VanDerWaalsContact O-CB 3.28Å; D117-S148 WeakPolarHBondContact O-CB 3.48Å; D117-S148 WeakPolarHBondContact OD2-CB 3.34Å; D117-S148 PolarHBondContact OD2-N 3.21Å; S148-V150 PolarHBondContact O-N 3.3Å; S148-V150 VanDerWaalsContact O-N 3.12Å; S148-V150 PolarHBondContact OG-N 2.84Å; S148-A151 VanDerWaalsContact OG-CB 3.32Å; S148-A151 WeakPolarHBondContact OG-CB 3.38Å; S148-A151 PolarHBondContact OG-N 3.08Å; S148-F152 WeakPolarHBondContact O-CB 3.25Å; S148-F152 PolarHBondContact O-N 2.96Å
149S92.8Very high96.2Very high103 Ų10341.8 Ų41.872%0.7224%0.235SC*.THydrogen-bonded Turntrans-59.8-27.4179.955.70000114.4V147V147-S149 PolarHBondContact O-N 3.23Å
150V95.3Very high96.2Very high90 Ų9041.7 Ų41.755%0.54524%0.235SC..THydrogen-bonded Turntrans-110.7-57.5-176.4-178.80000111.6L122 S148 F152 A154L122-V150 HydrophobicContact CD1-CG1 3.64Å; L122-V150 HydrophobicContact CG-CG1 4.44Å; S148-V150 PolarHBondContact O-N 3.3Å; S148-V150 VanDerWaalsContact O-N 3.12Å; S148-V150 PolarHBondContact OG-N 2.84Å; V150-F152 PolarHBondContact O-N 3.11Å; V150-A154 WeakPolarHBondContact O-CB 3.44Å; V150-A154 PolarHBondContact O-N 3.08Å; V150-A154 VanDerWaalsContact O-N 3.17Å
151A96.4Very high96.2Very high1 Ų141.7 Ų41.71%0.00824%0.235CC..Hα-helixtrans-64.4-39.6-173.500000113.8I120 L122 S148 N153 A154 L155I120-A151 HydrophobicContact CB-CB 3.59Å; I120-A151 HydrophobicContact CD1-CB 4.34Å; I120-A151 HydrophobicContact CG2-CB 3.63Å; L122-A151 HydrophobicContact CD2-CB 4.1Å; S148-A151 VanDerWaalsContact OG-CB 3.32Å; S148-A151 WeakPolarHBondContact OG-CB 3.38Å; S148-A151 PolarHBondContact OG-N 3.08Å; A151-N153 PolarHBondContact O-N 2.82Å; A151-A154 PolarHBondContact O-N 2.81Å; A151-L155 WeakPolarHBondContact O-CB 3.33Å; A151-L155 WeakPolarHBondContact O-CG 3.2Å; A151-L155 PolarHBondContact O-N 3.09Å
152F97.5Very high96.4Very high1 Ų141.6 Ų41.60%0.00423%0.234CC..Hα-helixtrans-55.1-52.4-179.9-172.9-91.2000111.3F138 V147 S148 V150 A154 L155 A156 V382 F386 I387F138-F152 AromaticContact CE2-CD2 3.89Å; F138-F152 HydrophobicContact CE2-CD2 3.89Å; F138-F152 AromaticContact CE2-CE2 3.8Å; F138-F152 HydrophobicContact CE2-CE2 3.8Å; F138-F152 HydrophobicContact CZ-CD2 4.33Å; F138-F152 AromaticContact CZ-CE2 3.9Å; F138-F152 HydrophobicContact CZ-CE2 3.9Å; V147-F152 HydrophobicContact CB-CB 4.01Å; V147-F152 HydrophobicContact CB-CD1 4.34Å; V147-F152 HydrophobicContact CB-CD2 3.65Å; V147-F152 HydrophobicContact CB-CE2 4.2Å; V147-F152 HydrophobicContact CB-CG 3.73Å; V147-F152 HydrophobicContact CG1-CD2 3.66Å; V147-F152 HydrophobicContact CG1-CE2 3.68Å; V147-F152 HydrophobicContact CG1-CG 4.13Å; V147-F152 HydrophobicContact CG1-CZ 4.17Å; V147-F152 HydrophobicContact CG2-CB 4.19Å; V147-F152 HydrophobicContact CG2-CD1 4.13Å; V147-F152 HydrophobicContact CG2-CD2 4.33Å; V147-F152 HydrophobicContact CG2-CG 3.95Å; S148-F152 WeakPolarHBondContact O-CB 3.25Å; S148-F152 PolarHBondContact O-N 2.96Å; V150-F152 PolarHBondContact O-N 3.11Å; F152-A154 PolarHBondContact O-N 3.46Å; F152-L155 PolarHBondContact O-N 3.3Å; F152-A156 WeakPolarHBondContact O-CA 3.21Å; F152-A156 VanDerWaalsContact O-CB 3.32Å; F152-A156 WeakPolarHBondContact O-CB 3.29Å; F152-A156 PolarHBondContact O-N 2.91Å; F152-V382 HydrophobicContact CE2-CG2 4.13Å; F152-V382 HydrophobicContact CZ-CG2 4.22Å; F152-F386 HydrophobicContact CE2-CB 4.48Å; F152-F386 HydrophobicContact CE2-CD1 4.4Å; F152-F386 HydrophobicContact CZ-CB 4.28Å; F152-I387 HydrophobicContact CD1-CD1 3.95Å; F152-I387 HydrophobicContact CE1-CD1 3.29Å; F152-I387 HydrophobicContact CE1-CG1 3.82Å; F152-I387 HydrophobicContact CZ-CD1 3.82Å; F152-I387 HydrophobicContact CZ-CG1 3.82Å
153N96.3Very high96.5Very high113 Ų11339.6 Ų39.660%0.60423%0.225SC*.Hα-helixtrans-66.4-38.6178.8-71.7-32.6000112.5A151 L155A151-N153 PolarHBondContact O-N 2.82Å; N153-L155 VanDerWaalsContact C-N 3.29Å; N153-L155 PolarHBondContact O-N 2.97Å
154A96.5Very high96.6Very high61 Ų6139.6 Ų39.650%0.50423%0.225SC..Hα-helixtrans-68.5-27-17900000113.5L122 V150 A151 F152L122-A154 HydrophobicContact CD1-CB 3.79Å; L122-A154 HydrophobicContact CD2-CB 3.94Å; V150-A154 WeakPolarHBondContact O-CB 3.44Å; V150-A154 PolarHBondContact O-N 3.08Å; V150-A154 VanDerWaalsContact O-N 3.17Å; A151-A154 PolarHBondContact O-N 2.81Å; F152-A154 PolarHBondContact O-N 3.46Å
155L96.5Very high96.6Very high9 Ų939.1 Ų39.15%0.04722%0.221CC..Hα-helixtrans-113.66.8-175.8-56.3179.2000112.9I120 L122 L125 A151 F152 N153 K157 Y159 Y160I120-L155 HydrophobicContact CD1-CD1 3.97Å; I120-L155 HydrophobicContact CG2-CD1 4.03Å; L122-L155 HydrophobicContact CD2-CD1 4.28Å; L122-L155 HydrophobicContact CD2-CD2 4.41Å; L122-L155 HydrophobicContact CD2-CG 4.22Å; L125-L155 HydrophobicContact CD1-CD1 4.35Å; L125-L155 HydrophobicContact CD1-CD2 3.82Å; L125-L155 HydrophobicContact CD2-CD1 4.06Å; A151-L155 WeakPolarHBondContact O-CB 3.33Å; A151-L155 WeakPolarHBondContact O-CG 3.2Å; A151-L155 PolarHBondContact O-N 3.09Å; F152-L155 PolarHBondContact O-N 3.3Å; N153-L155 VanDerWaalsContact C-N 3.29Å; N153-L155 PolarHBondContact O-N 2.97Å; L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 3.44Å; L155-Y159 HydrophobicContact CB-CD1 3.96Å; L155-Y159 HydrophobicContact CB-CG 4.07Å; L155-Y159 HydrophobicContact CD1-CD1 4.14Å; L155-Y159 HydrophobicContact CD1-CE1 3.91Å; L155-Y159 HydrophobicContact CD2-CD1 4.06Å; L155-Y159 HydrophobicContact CD2-CD2 3.74Å; L155-Y159 HydrophobicContact CD2-CE1 4.12Å; L155-Y159 HydrophobicContact CD2-CE2 3.8Å; L155-Y159 HydrophobicContact CD2-CG 3.87Å; L155-Y159 HydrophobicContact CG-CD1 4.27Å; L155-Y159 HydrophobicContact CG-CE1 4.42Å; L155-Y159 HydrophobicContact CG-CG 4.44Å; L155-Y159 VanDerWaalsContact O-CB 3.29Å; L155-Y159 WeakPolarHBondContact O-CB 3.44Å; L155-Y160 HydrophobicContact CB-CE2 3.95Å; L155-Y160 WeakPolarHBondContact O-CE2 3.32Å
156A96Very high96.6Very high8 Ų836 Ų367%0.06621%0.207CC..SBendtrans-58.2-36.6-169.900000114.1F152 D381 V382F152-A156 WeakPolarHBondContact O-CA 3.21Å; F152-A156 VanDerWaalsContact O-CB 3.32Å; F152-A156 WeakPolarHBondContact O-CB 3.29Å; F152-A156 PolarHBondContact O-N 2.91Å; A156-D381 CarbonylContact O-C 3.6Å; A156-D381 WeakPolarHBondContact O-CA 3.4Å; A156-V382 HydrophobicContact CB-CG2 4.45Å; A156-V382 WeakPolarHBondContact O-CG2 3.22Å; A156-V382 PolarHBondContact O-N 2.82Å
157K96.1Very high96.6Very high141 Ų14134.6 Ų34.661%0.61320%0.2SC*.BIsolated β-bridgetrans-115.8135.9-171.6-61.9-172.7-178.9-165.50111.9L155 Y159 D380 D381L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 3.44Å; K157-Y159 PolarHBondContact O-N 3.37Å; K157-Y159 VanDerWaalsContact O-N 3.07Å; K157-D380 CarbonylContact C-O 3.57Å; K157-D380 WeakPolarHBondContact CA-O 3.23Å; K157-D381 WeakPolarHBondContact CE-OD2 3.48Å; K157-D381 HydrophobicContact CG-CB 4.39Å; K157-D381 IonicContact NZ-OD2 3.79Å
158N91Very high96.6Very high123 Ų12338.7 Ų38.766%0.65821%0.212SC*.SBendtrans53.826.5171.1-58.1-34.8000114.9D380N158-D380 PolarHBondContact N-O 3.35Å; N158-D380 PolarHBondContact OD1-OD1 3.39Å
159Y96.3Very high96.6Very high18 Ų1840.7 Ų40.77%0.07122%0.221CC..SBendtrans-108.4-47.9-179.8-171.5-98.7000112.2Y115 Y136 L155 K157Y115-Y159 HydrophobicContact CE1-CE1 4.42Å; Y115-Y159 HydrophobicContact CE2-CE1 4.26Å; Y115-Y159 PolarHBondContact OH-OH 3Å; Y136-Y159 HydrophobicContact CD2-CD1 4.26Å; Y136-Y159 AromaticContact CD2-CE1 3.75Å; Y136-Y159 HydrophobicContact CD2-CE1 3.75Å; Y136-Y159 HydrophobicContact CD2-CE2 4.29Å; Y136-Y159 AromaticContact CD2-CZ 3.76Å; Y136-Y159 HydrophobicContact CE2-CE1 4.28Å; Y136-Y159 HydrophobicContact CE2-CE2 4.22Å; Y136-Y159 AromaticContact CE2-CZ 3.82Å; L155-Y159 HydrophobicContact CB-CD1 3.96Å; L155-Y159 HydrophobicContact CB-CG 4.07Å; L155-Y159 HydrophobicContact CD1-CD1 4.14Å; L155-Y159 HydrophobicContact CD1-CE1 3.91Å; L155-Y159 HydrophobicContact CD2-CD1 4.06Å; L155-Y159 HydrophobicContact CD2-CD2 3.74Å; L155-Y159 HydrophobicContact CD2-CE1 4.12Å; L155-Y159 HydrophobicContact CD2-CE2 3.8Å; L155-Y159 HydrophobicContact CD2-CG 3.87Å; L155-Y159 HydrophobicContact CG-CD1 4.27Å; L155-Y159 HydrophobicContact CG-CE1 4.42Å; L155-Y159 HydrophobicContact CG-CG 4.44Å; L155-Y159 VanDerWaalsContact O-CB 3.29Å; L155-Y159 WeakPolarHBondContact O-CB 3.44Å; K157-Y159 PolarHBondContact O-N 3.37Å; K157-Y159 VanDerWaalsContact O-N 3.07Å
160Y97.9Very high96.9Very high1 Ų136.3 Ų36.30%0.00419%0.19CC..  trans-85.8163.6178.2-54.6-71.9000110.8Y115 I120 F138 L155 P375 V382Y115-Y160 HydrophobicContact CD2-CD1 4.43Å; Y115-Y160 HydrophobicContact CD2-CE1 4Å; Y115-Y160 HydrophobicContact CG-CE1 4.22Å; I120-Y160 WeakPolarHBondContact CD1-OH 3.2Å; F138-Y160 HydrophobicContact CB-CD1 3.82Å; F138-Y160 HydrophobicContact CB-CD2 3.9Å; F138-Y160 HydrophobicContact CB-CE1 4.09Å; F138-Y160 HydrophobicContact CB-CE2 4.16Å; F138-Y160 HydrophobicContact CB-CG 3.71Å; F138-Y160 HydrophobicContact CD2-CD2 4.47Å; F138-Y160 AromaticContact CD2-CE2 3.99Å; F138-Y160 HydrophobicContact CD2-CE2 3.99Å; L155-Y160 HydrophobicContact CB-CE2 3.95Å; L155-Y160 WeakPolarHBondContact O-CE2 3.32Å; Y160-P375 WeakPolarHBondContact O-CB 3.5Å; Y160-P375 WeakPolarHBondContact O-CG 3.29Å; Y160-V382 HydrophobicContact CD2-CG1 3.89Å; Y160-V382 HydrophobicContact CD2-CG2 4.08Å; Y160-V382 HydrophobicContact CE2-CG2 4.07Å
161T98.4Very high97.1Very high0 Ų034.6 Ų34.60%018%0.178CC..SBendtrans-123.3-21.8175.756.70000112.9R130 H135 Y136 I373 T376R130-T161 VanDerWaalsContact CZ-CG2 3.42Å; H135-T161 WeakPolarHBondContact CA-OG1 3.19Å; H135-T161 WeakPolarHBondContact CB-OG1 3.41Å; H135-T161 PolarHBondContact ND1-OG1 2.99Å; Y136-T161 PolarHBondContact N-OG1 3.42Å; Y136-T161 PolarHBondContact O-N 3.02Å; Y136-T161 PolarHBondContact O-OG1 3.29Å; T161-I373 HydrophobicContact CG2-CG2 3.8Å; T161-T376 PolarHBondContact O-N 3.1Å; T161-T376 PolarHBondContact O-OG1 3.35Å
162L98.8Very high97.2Very high0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-139.5156176.2-63.9173.5000110.1H135 Y136 V137 F138 D171 L172 L360 R363 T376H135-L162 HydrophobicContact CB-CD1 4.19Å; H135-L162 WeakPolarHBondContact ND1-CD1 3.48Å; H135-L162 WeakPolarHBondContact ND1-CG 3.49Å; Y136-L162 PolarHBondContact O-N 2.71Å; V137-L162 WeakPolarHBondContact CA-O 3.41Å; V137-L162 HydrophobicContact CG1-CB 4.25Å; V137-L162 HydrophobicContact CG2-CB 4.26Å; V137-L162 HydrophobicContact CG2-CD1 4.43Å; F138-L162 PolarHBondContact N-O 3.46Å; L162-D171 VanDerWaalsContact CA-OD2 3.25Å; L162-D171 WeakPolarHBondContact CA-OD2 3.06Å; L162-D171 HydrophobicContact CD2-CB 4.06Å; L162-L172 HydrophobicContact CB-CD1 4.49Å; L162-L172 HydrophobicContact CD1-CD1 4.39Å; L162-L360 HydrophobicContact CD1-CD1 4.2Å; L162-R363 HydrophobicContact CD1-CG 3.88Å; L162-R363 HydrophobicContact CD2-CG 4.5Å; L162-R363 VanDerWaalsContact CD2-NH1 3.27Å; L162-T376 HydrophobicContact CD2-CG2 3.8Å
163T98.8Very high97.2Very high0 Ų037.4 Ų37.40%019%0.19CC..EExtended strand (participates in β ladder)trans-116.1138.8171.860.10000111.6F138 S170 D171 L172 S378 A379 V382 W385F138-T163 HydrophobicContact CB-CG2 4.43Å; F138-T163 HydrophobicContact CD1-CG2 4.33Å; F138-T163 CarbonylContact O-C 3.55Å; T163-S170 WeakPolarHBondContact OG1-CA 3.47Å; T163-D171 PolarHBondContact N-OD2 3.48Å; T163-D171 PolarHBondContact O-N 2.97Å; T163-D171 PolarHBondContact OG1-N 2.04Å; T163-D171 PolarHBondContact OG1-OD2 2.87Å; T163-L172 WeakPolarHBondContact O-CB 3.39Å; T163-L172 PolarHBondContact O-N 3.29Å; T163-S378 WeakPolarHBondContact CG2-O 3.3Å; T163-S378 WeakPolarHBondContact CG2-OG 3.42Å; T163-S378 WeakPolarHBondContact OG1-CB 3.47Å; T163-S378 PolarHBondContact OG1-OG 2.95Å; T163-A379 HydrophobicContact CG2-CB 4.03Å; T163-V382 HydrophobicContact CG2-CG1 4Å; T163-W385 HydrophobicContact CG2-CE3 3.74Å; T163-W385 HydrophobicContact CG2-CH2 4Å; T163-W385 HydrophobicContact CG2-CZ3 3.42Å; T163-W385 VanDerWaalsContact CG2-CZ3 3.42Å
164M98.8Very high97.3Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-131.3116.1176.7-170.3166.177.500108.7V114 V137 F138 F139 L140 L172 T174 M357V114-M164 HydrophobicContact CG1-CE 4.05Å; V137-M164 HydrophobicContact CG1-CB 3.9Å; F138-M164 PolarHBondContact O-N 3.04Å; F139-M164 WeakPolarHBondContact CA-O 3.39Å; F139-M164 HydrophobicContact CB-CB 4.45Å; F139-M164 HydrophobicContact CB-CE 3.91Å; F139-M164 HydrophobicContact CD1-CE 3.67Å; F139-M164 HydrophobicContact CD2-CB 4.1Å; F139-M164 HydrophobicContact CD2-CE 3.36Å; F139-M164 HydrophobicContact CD2-CG 3.96Å; F139-M164 WeakPolarHBondContact CD2-O 2.99Å; F139-M164 HydrophobicContact CE1-CE 3.97Å; F139-M164 HydrophobicContact CE2-CE 3.71Å; F139-M164 HydrophobicContact CE2-CG 4.38Å; F139-M164 HydrophobicContact CG-CE 3.37Å; F139-M164 HydrophobicContact CZ-CE 4.01Å; L140-M164 PolarHBondContact N-O 2.82Å; L140-M164 VanDerWaalsContact N-O 3.15Å; M164-L172 WeakPolarHBondContact CA-O 3.06Å; M164-L172 HydrophobicContact CB-CB 3.9Å; M164-L172 HydrophobicContact CB-CD1 4.11Å; M164-L172 HydrophobicContact CG-CB 3.78Å; M164-L172 HydrophobicContact CG-CD1 4.36Å; M164-L172 HydrophobicContact SD-CB 4.36Å; M164-L172 HydrophobicContact SD-CD1 4.21Å; M164-T174 WeakPolarHBondContact CG-OG1 3.26Å; M164-M357 HydrophobicContact CE-SD 4.05Å; M164-M357 HydrophobicContact SD-SD 4.37Å
165S98.1Very high97.3Very high0 Ų029.6 Ų29.60%014%0.141CC..EExtended strand (participates in β ladder)trans-163.3176.6-177.676.50000112.6L140 R167 S170 L172 T174L140-S165 WeakPolarHBondContact O-CA 3.41Å; L140-S165 VanDerWaalsContact O-CB 3.26Å; L140-S165 WeakPolarHBondContact O-CB 3.34Å; S165-R167 PolarHBondContact O-N 2.9Å; S165-R167 WeakPolarHBondContact OG-CB 3.42Å; S165-R167 PolarHBondContact OG-N 2.85Å; S165-S170 PolarHBondContact O-OG 3.16Å; S165-S170 WeakPolarHBondContact OG-CB 3.45Å; S165-L172 PolarHBondContact N-O 3.42Å; S165-T174 PolarHBondContact O-N 3.1Å
166Y97Very high97.2Very high6 Ų629.8 Ų29.82%0.02414%0.141CC..SBendtrans-69.2-10.8170.570.8-94.6000113.9E142 F173 T174 K274 D275 F276 F386E142-Y166 WeakPolarHBondContact O-CE1 3.35Å; Y166-F173 WeakPolarHBondContact O-CE2 3.27Å; Y166-T174 VanDerWaalsContact CA-O 3.32Å; Y166-T174 WeakPolarHBondContact CA-O 3.49Å; Y166-T174 PolarHBondContact N-O 2.61Å; Y166-K274 WeakPolarHBondContact CE2-O 3.46Å; Y166-D275 HydrophobicContact CD2-CB 4.46Å; Y166-D275 WeakPolarHBondContact CD2-O 3.38Å; Y166-F276 AromaticContact CD1-CD2 3.73Å; Y166-F276 HydrophobicContact CD1-CD2 3.73Å; Y166-F276 HydrophobicContact CD1-CE2 4.09Å; Y166-F276 HydrophobicContact CD2-CB 4.14Å; Y166-F276 AromaticContact CD2-CD2 3.86Å; Y166-F276 HydrophobicContact CD2-CD2 3.86Å; Y166-F276 AromaticContact CE1-CD2 3.42Å; Y166-F276 HydrophobicContact CE1-CD2 3.42Å; Y166-F276 VanDerWaalsContact CE1-CD2 3.42Å; Y166-F276 AromaticContact CE1-CE2 3.87Å; Y166-F276 HydrophobicContact CE1-CE2 3.87Å; Y166-F276 HydrophobicContact CE1-CG 4.46Å; Y166-F276 VanDerWaalsContact CE2-CA 3.48Å; Y166-F276 HydrophobicContact CE2-CB 3.53Å; Y166-F276 AromaticContact CE2-CD2 3.6Å; Y166-F276 HydrophobicContact CE2-CD2 3.6Å; Y166-F276 HydrophobicContact CE2-CG 4.04Å; Y166-F276 AromaticContact CG-CD2 3.95Å; Y166-F276 HydrophobicContact CG-CD2 3.95Å; Y166-F276 AromaticContact CZ-CD2 3.36Å; Y166-F276 AromaticContact CZ-CG 3.99Å; Y166-F386 HydrophobicContact CE1-CE2 4.41Å; Y166-F386 AromaticContact CE1-CZ 3.88Å; Y166-F386 HydrophobicContact CE1-CZ 3.88Å
167R97.1Very high97.2Very high1 Ų129.6 Ų29.60%0.00414%0.14CC..SBendtrans-73.9134.3179.1-71.4-178.856.6151.80.9110S165 D169 S170 F173 W385 F386 K389S165-R167 PolarHBondContact O-N 2.9Å; S165-R167 WeakPolarHBondContact OG-CB 3.42Å; S165-R167 PolarHBondContact OG-N 2.85Å; R167-D169 WeakPolarHBondContact CB-OD1 3.47Å; R167-D169 IonicContact CZ-OD1 3.31Å; R167-D169 IonicContact CZ-OD2 3.46Å; R167-D169 IonicContact NE-OD1 3.16Å; R167-D169 PolarHBondContact NE-OD1 2.97Å; R167-D169 IonicContact NE-OD2 2.76Å; R167-D169 IonicContact NH2-OD1 3.46Å; R167-D169 PolarHBondContact NH2-OD1 3.3Å; R167-D169 VanDerWaalsContact NH2-OD1 3.16Å; R167-D169 IonicContact NH2-OD2 2.73Å; R167-D169 PolarHBondContact NH2-OD2 2.91Å; R167-D169 PolarHBondContact O-N 3.49Å; R167-D169 VanDerWaalsContact O-N 3.15Å; R167-S170 PolarHBondContact O-N 3.28Å; R167-S170 VanDerWaalsContact O-N 3.11Å; R167-S170 PolarHBondContact O-OG 2.04Å; R167-F173 WeakPolarHBondContact O-CD2 3.4Å; R167-W385 HydrophobicContact CB-CZ2 4.16Å; R167-W385 PolarHBondContact NH1-O 2.91Å; R167-F386 HydrophobicContact CG-CD2 4.46Å; R167-F386 HydrophobicContact CG-CE2 4.02Å; R167-F386 PolarHBondContact NH1-O 2.87Å; R167-K389 VanDerWaalsContact NH1-C 3.35Å; R167-K389 PolarHBondContact NH1-O 3.34Å; R167-K389 PolarHBondContact NH2-O 3.01Å
168R96.8Very high97.2Very high117 Ų11725.2 Ų25.244%0.44212%0.121SC..THydrogen-bonded Turntrans-66.8-18-178.9-69-176.4-68.9160.8-0.2113.6F173 D275 P301R168-F173 HydrophobicContact CG-CD2 4.17Å; R168-F173 HydrophobicContact CG-CE1 4.44Å; R168-F173 HydrophobicContact CG-CE2 3.71Å; R168-F173 HydrophobicContact CG-CZ 3.85Å; R168-D275 WeakPolarHBondContact CB-OD2 3.18Å; R168-D275 IonicContact CZ-OD1 3.69Å; R168-D275 VanDerWaalsContact CZ-OD1 3.31Å; R168-D275 PolarHBondContact N-OD2 3.08Å; R168-D275 IonicContact NE-OD1 3.65Å; R168-D275 PolarHBondContact NE-OD1 3.49Å; R168-D275 IonicContact NE-OD2 2.73Å; R168-D275 PolarHBondContact NE-OD2 3.26Å; R168-D275 IonicContact NH2-OD1 3.82Å; R168-D275 PolarHBondContact NH2-OD1 3.44Å; R168-P301 VanDerWaalsContact NH1-CB 3.35Å
169D97Very high97.5Very high61 Ų6120.8 Ų20.833%0.32610%0.099SC..THydrogen-bonded Turntrans-97.914.617768.8-10.4000113.8R167 W385R167-D169 WeakPolarHBondContact CB-OD1 3.47Å; R167-D169 IonicContact CZ-OD1 3.31Å; R167-D169 IonicContact CZ-OD2 3.46Å; R167-D169 IonicContact NE-OD1 3.16Å; R167-D169 PolarHBondContact NE-OD1 2.97Å; R167-D169 IonicContact NE-OD2 2.76Å; R167-D169 IonicContact NH2-OD1 3.46Å; R167-D169 PolarHBondContact NH2-OD1 3.3Å; R167-D169 VanDerWaalsContact NH2-OD1 3.16Å; R167-D169 IonicContact NH2-OD2 2.73Å; R167-D169 PolarHBondContact NH2-OD2 2.91Å; R167-D169 PolarHBondContact O-N 3.49Å; R167-D169 VanDerWaalsContact O-N 3.15Å; D169-W385 PolarHBondContact O-NE1 3.45Å; D169-W385 PolarHBondContact OD1-NE1 3.15Å
170S98.5Very high97.5Very high11 Ų1125.5 Ų25.58%0.07712%0.117CC..SBendtrans-77.7155.1164.363.20000111.3T163 S165 R167 L172 F173T163-S170 WeakPolarHBondContact OG1-CA 3.47Å; S165-S170 PolarHBondContact O-OG 3.16Å; S165-S170 WeakPolarHBondContact OG-CB 3.45Å; R167-S170 PolarHBondContact O-N 3.28Å; R167-S170 VanDerWaalsContact O-N 3.11Å; R167-S170 PolarHBondContact O-OG 2.04Å; S170-L172 PolarHBondContact O-N 2.85Å; S170-L172 PolarHBondContact OG-O 3.01Å; S170-F173 WeakPolarHBondContact OG-CA 3.27Å; S170-F173 PolarHBondContact OG-N 3.37Å
171D98.7Very high97.4Very high55 Ų5529.9 Ų29.929%0.29415%0.145SC..SBendtrans-59.9-33.5177.2-54.7-52.6000111.8L162 T163 T376 S378L162-D171 VanDerWaalsContact CA-OD2 3.25Å; L162-D171 WeakPolarHBondContact CA-OD2 3.06Å; L162-D171 HydrophobicContact CD2-CB 4.06Å; T163-D171 PolarHBondContact N-OD2 3.48Å; T163-D171 PolarHBondContact O-N 2.97Å; T163-D171 PolarHBondContact OG1-N 2.04Å; T163-D171 PolarHBondContact OG1-OD2 2.87Å; D171-T376 VanDerWaalsContact CG-OG1 3.3Å; D171-T376 WeakPolarHBondContact OD1-CB 3.28Å; D171-T376 WeakPolarHBondContact OD1-CG2 3.4Å; D171-T376 PolarHBondContact OD1-OG1 3.07Å; D171-T376 PolarHBondContact OD2-OG1 3.42Å; D171-S378 VanDerWaalsContact CG-OG 3.24Å; D171-S378 PolarHBondContact OD1-OG 3.18Å; D171-S378 PolarHBondContact OD2-OG 2.84Å
172L98.7Very high97.3Very high5 Ų533.2 Ų33.23%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-126.183-177.6-51.2171.7000109.5V137 L162 T163 M164 S165 S170 T174 Q359 L360 R363V137-L172 HydrophobicContact CG1-CD1 4.11Å; L162-L172 HydrophobicContact CB-CD1 4.49Å; L162-L172 HydrophobicContact CD1-CD1 4.39Å; T163-L172 WeakPolarHBondContact O-CB 3.39Å; T163-L172 PolarHBondContact O-N 3.29Å; M164-L172 WeakPolarHBondContact CA-O 3.06Å; M164-L172 HydrophobicContact CB-CB 3.9Å; M164-L172 HydrophobicContact CB-CD1 4.11Å; M164-L172 HydrophobicContact CG-CB 3.78Å; M164-L172 HydrophobicContact CG-CD1 4.36Å; M164-L172 HydrophobicContact SD-CB 4.36Å; M164-L172 HydrophobicContact SD-CD1 4.21Å; S165-L172 PolarHBondContact N-O 3.42Å; S170-L172 PolarHBondContact O-N 2.85Å; S170-L172 PolarHBondContact OG-O 3.01Å; L172-T174 PolarHBondContact O-N 3.22Å; L172-T174 PolarHBondContact O-OG1 2.88Å; L172-Q359 HydrophobicContact CD2-CB 3.84Å; L172-L360 HydrophobicContact CD1-CB 3.85Å; L172-L360 HydrophobicContact CD1-CD1 3.8Å; L172-L360 HydrophobicContact CD1-CG 4.31Å; L172-R363 HydrophobicContact CD2-CB 4.44Å
173F98.1Very high97.2Very high55 Ų5542.8 Ų42.824%0.24120%0.199CC..EExtended strand (participates in β ladder)trans-65.2118.8-178.7172.3-123.9000111.7Y166 R167 R168 S170 P175 Q359Y166-F173 WeakPolarHBondContact O-CE2 3.27Å; R167-F173 WeakPolarHBondContact O-CD2 3.4Å; R168-F173 HydrophobicContact CG-CD2 4.17Å; R168-F173 HydrophobicContact CG-CE1 4.44Å; R168-F173 HydrophobicContact CG-CE2 3.71Å; R168-F173 HydrophobicContact CG-CZ 3.85Å; S170-F173 WeakPolarHBondContact OG-CA 3.27Å; S170-F173 PolarHBondContact OG-N 3.37Å; F173-P175 HydrophobicContact CD1-CG 4.47Å; F173-P175 HydrophobicContact CE1-CB 4.15Å; F173-P175 HydrophobicContact CE1-CG 3.86Å; F173-P175 HydrophobicContact CE2-CB 4.01Å; F173-P175 HydrophobicContact CE2-CG 4.43Å; F173-P175 HydrophobicContact CZ-CB 3.61Å; F173-P175 HydrophobicContact CZ-CG 3.85Å; F173-Q359 PolarHBondContact O-OE1 3.4Å
174T97.4Very high97.1Very high0 Ų048 Ų480%023%0.231CC..  trans-127.582.3-171.1-52.60000109.4M141 M164 S165 Y166 L172 G352 L353 G356M141-T174 HydrophobicContact CE-CG2 4.41Å; M141-T174 WeakPolarHBondContact CE-O 3.42Å; M141-T174 HydrophobicContact SD-CG2 3.86Å; M164-T174 WeakPolarHBondContact CG-OG1 3.26Å; S165-T174 PolarHBondContact O-N 3.1Å; Y166-T174 VanDerWaalsContact CA-O 3.32Å; Y166-T174 WeakPolarHBondContact CA-O 3.49Å; Y166-T174 PolarHBondContact N-O 2.61Å; L172-T174 PolarHBondContact O-N 3.22Å; L172-T174 PolarHBondContact O-OG1 2.88Å; T174-G352 WeakPolarHBondContact CG2-O 3.42Å; T174-L353 HydrophobicContact CG2-CB 4.41Å; T174-L353 HydrophobicContact CG2-CD1 3.87Å; T174-G356 WeakPolarHBondContact OG1-CA 3.33Å
175P96.8Very high97Very high11 Ų1152.2 Ų52.27%0.07126%0.259CS..  trans-73.4162.1-178.128.4-33.2000112.6F173 G177 F178 G352F173-P175 HydrophobicContact CD1-CG 4.47Å; F173-P175 HydrophobicContact CE1-CB 4.15Å; F173-P175 HydrophobicContact CE1-CG 3.86Å; F173-P175 HydrophobicContact CE2-CB 4.01Å; F173-P175 HydrophobicContact CE2-CG 4.43Å; F173-P175 HydrophobicContact CZ-CB 3.61Å; F173-P175 HydrophobicContact CZ-CG 3.85Å; P175-G177 VanDerWaalsContact C-N 3.28Å; P175-F178 HydrophobicContact CG-CD1 4.35Å; P175-G352 CarbonylContact O-C 3.45Å; P175-G352 WeakPolarHBondContact O-CA 3.45Å
176F95.4Very high96.8Very high12 Ų1256 Ų565%0.05328%0.278CS..SBendtrans-73.5-23.2169.7-76.3-92.8000113.1M141 F276 T278 F282 F349M141-F176 HydrophobicContact CB-CE1 4.49Å; M141-F176 HydrophobicContact CB-CE2 4.48Å; M141-F176 HydrophobicContact CB-CZ 3.9Å; M141-F176 HydrophobicContact CE-CD1 4.02Å; M141-F176 HydrophobicContact CE-CD2 3.82Å; M141-F176 HydrophobicContact CE-CE1 3.95Å; M141-F176 HydrophobicContact CE-CE2 3.74Å; M141-F176 HydrophobicContact CE-CG 3.98Å; M141-F176 HydrophobicContact CE-CZ 3.82Å; M141-F176 VanDerWaalsContact O-CE2 3.29Å; M141-F176 WeakPolarHBondContact O-CE2 3.27Å; M141-F176 WeakPolarHBondContact O-CZ 3.37Å; F176-F276 HydrophobicContact CE2-CE2 4.23Å; F176-T278 HydrophobicContact CD2-CG2 4.08Å; F176-T278 HydrophobicContact CE2-CG2 3.83Å; F176-T278 HydrophobicContact CZ-CG2 4.11Å; F176-F282 HydrophobicContact CB-CD2 4.17Å; F176-F282 HydrophobicContact CB-CE2 4.42Å; F176-F349 WeakPolarHBondContact O-CA 3.26Å; F176-F349 WeakPolarHBondContact O-CB 3.32Å; F176-F349 PolarHBondContact O-N 3.17Å
177G95.4Very high96.7Very high4 Ų464.6 Ų64.64%0.04132%0.319CS..  trans-179.4171.8177.800000109.7P175 F282 V347P175-G177 VanDerWaalsContact C-N 3.28Å; G177-F282 VanDerWaalsContact C-CE1 3.42Å; G177-F282 VanDerWaalsContact C-CZ 3.49Å; G177-F282 WeakPolarHBondContact O-CE1 3.35Å; G177-F282 WeakPolarHBondContact O-CE2 3.25Å; G177-F282 WeakPolarHBondContact O-CZ 3.41Å; G177-V347 CarbonylContact C-O 3.57Å; G177-V347 WeakPolarHBondContact CA-O 3.46Å
178F96.5Very high96.6Very high49 Ų4966.2 Ų66.222%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-154.9166.1-18055.8-83.5000111P175 V347 I355P175-F178 HydrophobicContact CG-CD1 4.35Å; F178-V347 HydrophobicContact CD1-CB 4.25Å; F178-V347 HydrophobicContact CD2-CB 4.06Å; F178-V347 HydrophobicContact CD2-CG2 4.17Å; F178-V347 HydrophobicContact CE1-CB 3.91Å; F178-V347 HydrophobicContact CE1-CG1 3.76Å; F178-V347 HydrophobicContact CE2-CB 3.73Å; F178-V347 HydrophobicContact CE2-CG1 4.1Å; F178-V347 HydrophobicContact CE2-CG2 3.69Å; F178-V347 HydrophobicContact CG-CB 4.31Å; F178-V347 HydrophobicContact CZ-CB 3.65Å; F178-V347 HydrophobicContact CZ-CG1 3.52Å; F178-V347 HydrophobicContact CZ-CG2 4Å; F178-V347 PolarHBondContact N-O 3.18Å; F178-V347 PolarHBondContact O-N 3.31Å; F178-I355 HydrophobicContact CD1-CD1 4.08Å; F178-I355 HydrophobicContact CE1-CD1 3.37Å; F178-I355 HydrophobicContact CE2-CD1 4.49Å; F178-I355 HydrophobicContact CZ-CD1 3.61Å
179V96.7Very high96.5Very high31 Ų3164 Ų6419%0.18833%0.33CS..EExtended strand (participates in β ladder)trans-103148.4166.8-68.90000110F285 P304 W340 E345 V346V179-F285 HydrophobicContact CG1-CD1 3.97Å; V179-F285 HydrophobicContact CG1-CE1 3.57Å; V179-P304 HydrophobicContact CB-CG 4.4Å; V179-P304 HydrophobicContact CG1-CG 4.27Å; V179-P304 HydrophobicContact CG2-CG 3.97Å; V179-W340 HydrophobicContact CG1-CH2 4.5Å; V179-W340 HydrophobicContact CG1-CZ3 4.14Å; V179-E345 WeakPolarHBondContact CA-O 3.46Å; V179-V346 HydrophobicContact CG1-CG2 4.42Å
180R95.9Very high96.3Very high117 Ų11766.8 Ų66.844%0.44234%0.337SS..EExtended strand (participates in β ladder)trans-139.1154.6170.369.1180-174.4-157.2-5.1111.2Y344 E345 V347R180-Y344 CarbonylContact O-C 3.53Å; R180-Y344 VanDerWaalsContact O-CA 3.24Å; R180-Y344 WeakPolarHBondContact O-CA 3.44Å; R180-Y344 WeakPolarHBondContact O-CB 3.23Å; R180-E345 HydrophobicContact CG-CG 3.76Å; R180-E345 IonicContact CZ-OE1 3.97Å; R180-E345 PolarHBondContact N-O 2.81Å; R180-E345 IonicContact NE-OE1 3.96Å; R180-E345 PolarHBondContact NE-OE1 3.06Å; R180-E345 IonicContact NH2-OE1 3.8Å; R180-E345 PolarHBondContact NH2-OE1 3.36Å; R180-E345 PolarHBondContact O-N 3.17Å; R180-V347 HydrophobicContact CG-CG2 4.04Å
181P97.1Very high96.2Very high93 Ų9371.2 Ų71.260%0.60436%0.363SS*.EExtended strand (participates in β ladder)trans-56.5140.4172.9-23.734.1000110.9K343 Y344P181-K343 WeakPolarHBondContact CA-O 3.25Å; P181-Y344 HydrophobicContact CG-CD1 4.32Å; P181-Y344 HydrophobicContact CG-CE1 4.14Å
182R96.7Very high96Very high70 Ų7071.7 Ų71.726%0.26437%0.368SS..  trans-68.3142.6170.4-66.3-174.8179.1-81.4-1.4109.5T184 K341 K343 Y344 E345R182-T184 VanDerWaalsContact C-N 3.25Å; R182-T184 WeakPolarHBondContact CB-O 3.4Å; R182-T184 PolarHBondContact O-N 3.03Å; R182-K341 PolarHBondContact NE-O 3.08Å; R182-K341 PolarHBondContact NH2-O 3.4Å; R182-K341 VanDerWaalsContact NH2-O 3.14Å; R182-K343 PolarHBondContact N-O 3.06Å; R182-Y344 PolarHBondContact NE-O 3.08Å; R182-Y344 PolarHBondContact NH2-O 3.25Å; R182-E345 HydrophobicContact CG-CB 4.15Å; R182-E345 HydrophobicContact CG-CG 4.45Å
183K96.5Very high95.7Very high201 Ų20172 Ų7287%0.87437%0.369SS*.SBendtrans-60.7-39.9168.3-68-174.4177.5-176.70111.4
184T96.6Very high95.6Very high109 Ų10973.6 Ų73.667%0.66938%0.376SS*.SBendtrans-123.7111.8174.8-52.10000108.1R182R182-T184 VanDerWaalsContact C-N 3.25Å; R182-T184 WeakPolarHBondContact CB-O 3.4Å; R182-T184 PolarHBondContact O-N 3.03Å
185P95.5Very high95.5Very high89 Ų8977.4 Ų77.458%0.57840%0.402SS*.  trans-56.8150.2172.9-25.135.2000111.6D342P185-D342 WeakPolarHBondContact CA-O 3.4Å
186L95.7Very high95.2Very high79 Ų7978.4 Ų78.441%0.41441%0.407SS..  trans-96.5157.6172.4-52.4175.6000109.8D342L186-D342 HydrophobicContact CB-CB 4.36Å; L186-D342 PolarHBondContact N-O 2.66Å; L186-D342 VanDerWaalsContact O-CB 3.3Å; L186-D342 WeakPolarHBondContact O-CB 3.44Å
187E94.7Very high95.1Very high187 Ų18777.9 Ų77.987%0.87440%0.404SS*.  trans-12373.6170.5-66.2-174.7176.400108.2P189E187-P189 VanDerWaalsContact O-CD 3.27Å; E187-P189 WeakPolarHBondContact O-CD 3.34Å
188T94.8Very high95.1Very high35 Ų3582.8 Ų82.822%0.21543%0.429CS..  trans-72.2121.1-174.3-58.60000109.6V192 W193 D342T188-V192 HydrophobicContact CG2-CB 3.98Å; T188-V192 HydrophobicContact CG2-CG1 3.92Å; T188-W193 VanDerWaalsContact CB-CE2 3.49Å; T188-W193 VanDerWaalsContact CB-CZ2 3.47Å; T188-W193 HydrophobicContact CG2-CD2 3.9Å; T188-W193 HydrophobicContact CG2-CG 4.26Å; T188-W193 HydrophobicContact CG2-CH2 4.24Å; T188-W193 HydrophobicContact CG2-CZ2 3.57Å; T188-W193 PolarHBondContact O-NE1 2.91Å; T188-D342 VanDerWaalsContact CB-OD1 3.28Å; T188-D342 WeakPolarHBondContact CB-OD1 3.17Å; T188-D342 PolarHBondContact N-OD2 3.14Å; T188-D342 PolarHBondContact OG1-OD1 3.44Å
189P94.9Very high95Very high71 Ų7184 Ų8446%0.46144%0.444SS..  trans-62.2144.4-177.8-23.634000112.2E187 T191 V192 W193E187-P189 VanDerWaalsContact O-CD 3.27Å; E187-P189 WeakPolarHBondContact O-CD 3.34Å; P189-T191 PolarHBondContact O-N 3.16Å; P189-T191 VanDerWaalsContact O-N 3.14Å; P189-V192 HydrophobicContact CB-CG2 4.22Å; P189-V192 HydrophobicContact CG-CG2 4.23Å; P189-V192 WeakPolarHBondContact O-CB 3.43Å; P189-V192 PolarHBondContact O-N 3.27Å; P189-W193 PolarHBondContact O-N 3.42Å
190Y92.3Very high95Very high119 Ų11982.9 Ų82.947%0.46744%0.436SS..Hα-helixtrans-56.1-32.5177.1-171.4-109.9000113.4V192 W193 K194 W331 T332 I335Y190-V192 VanDerWaalsContact C-N 3.33Å; Y190-V192 PolarHBondContact O-N 2.75Å; Y190-W193 PolarHBondContact O-N 3.13Å; Y190-K194 WeakPolarHBondContact O-CB 3.38Å; Y190-K194 PolarHBondContact O-N 3.31Å; Y190-W331 HydrophobicContact CD1-CH2 4.09Å; Y190-W331 HydrophobicContact CD1-CZ3 4.38Å; Y190-W331 AromaticContact CE1-CH2 3.15Å; Y190-W331 HydrophobicContact CE1-CH2 3.15Å; Y190-W331 HydrophobicContact CE1-CZ2 4.23Å; Y190-W331 AromaticContact CE1-CZ3 3.62Å; Y190-W331 HydrophobicContact CE1-CZ3 3.62Å; Y190-W331 HydrophobicContact CE2-CH2 4.3Å; Y190-W331 AromaticContact CE2-CZ3 3.97Å; Y190-W331 HydrophobicContact CE2-CZ3 3.97Å; Y190-W331 AromaticContact CZ-CH2 3.23Å; Y190-W331 AromaticContact CZ-CZ3 3.31Å; Y190-W331 WeakPolarHBondContact OH-CH2 3.42Å; Y190-W331 WeakPolarHBondContact OH-CZ3 3.09Å; Y190-T332 VanDerWaalsContact OH-CG2 3.26Å; Y190-T332 WeakPolarHBondContact OH-CG2 3.48Å; Y190-I335 HydrophobicContact CD2-CD1 3.79Å; Y190-I335 HydrophobicContact CE2-CD1 3.25Å
191T95.5Very high94.9Very high104 Ų10481.9 Ų81.964%0.63845%0.445SS*.Hα-helixtrans-63.5-35.9174.950.10000112.7P189 S195P189-T191 PolarHBondContact O-N 3.16Å; P189-T191 VanDerWaalsContact O-N 3.14Å; T191-S195 WeakPolarHBondContact O-CB 3.21Å; T191-S195 PolarHBondContact O-N 3.25Å
192V94.9Very high94.9Very high64 Ų6480.4 Ų80.439%0.38843%0.429SS..Hα-helixtrans-69-47.21751770000110.1T188 P189 Y190 K194 S195 I196T188-V192 HydrophobicContact CG2-CB 3.98Å; T188-V192 HydrophobicContact CG2-CG1 3.92Å; P189-V192 HydrophobicContact CB-CG2 4.22Å; P189-V192 HydrophobicContact CG-CG2 4.23Å; P189-V192 WeakPolarHBondContact O-CB 3.43Å; P189-V192 PolarHBondContact O-N 3.27Å; Y190-V192 VanDerWaalsContact C-N 3.33Å; Y190-V192 PolarHBondContact O-N 2.75Å; V192-K194 VanDerWaalsContact C-N 3.33Å; V192-K194 PolarHBondContact O-N 2.61Å; V192-S195 PolarHBondContact O-N 3.09Å; V192-I196 HydrophobicContact CG1-CD1 3.97Å; V192-I196 WeakPolarHBondContact O-CG1 3.41Å; V192-I196 PolarHBondContact O-N 3.43Å
193W92.9Very high94.9Very high12 Ų1278.7 Ų78.75%0.04543%0.425CS..Hα-helixtrans-57.1-46.3175.6-69.8125.6000112.4T188 P189 Y190 S195 I196 A197 H288 I335 Y338 K341T188-W193 VanDerWaalsContact CB-CE2 3.49Å; T188-W193 VanDerWaalsContact CB-CZ2 3.47Å; T188-W193 HydrophobicContact CG2-CD2 3.9Å; T188-W193 HydrophobicContact CG2-CG 4.26Å; T188-W193 HydrophobicContact CG2-CH2 4.24Å; T188-W193 HydrophobicContact CG2-CZ2 3.57Å; T188-W193 PolarHBondContact O-NE1 2.91Å; P189-W193 PolarHBondContact O-N 3.42Å; Y190-W193 PolarHBondContact O-N 3.13Å; W193-S195 PolarHBondContact O-N 3.13Å; W193-I196 HydrophobicContact CE3-CD1 4.31Å; W193-I196 HydrophobicContact CZ3-CD1 4.43Å; W193-I196 PolarHBondContact O-N 2.94Å; W193-A197 WeakPolarHBondContact O-CB 3.47Å; W193-A197 PolarHBondContact O-N 2.65Å; W193-H288 AromaticContact CH2-NE2 3.87Å; W193-H288 AromaticContact CZ3-CD2 3.52Å; W193-H288 AromaticContact CZ3-NE2 3.42Å; W193-H288 WeakPolarHBondContact CZ3-NE2 3.43Å; W193-I335 HydrophobicContact CB-CB 4.22Å; W193-I335 HydrophobicContact CB-CD1 4.19Å; W193-I335 HydrophobicContact CB-CG2 3.97Å; W193-Y338 HydrophobicContact CE3-CD2 4.42Å; W193-Y338 HydrophobicContact CZ3-CG 4.43Å; W193-K341 HydrophobicContact CH2-CB 4.27Å; W193-K341 HydrophobicContact CH2-CD 4.07Å; W193-K341 HydrophobicContact CZ3-CD 4.45Å
194K94.8Very high95Very high89 Ų8969.1 Ų69.139%0.38738%0.384SS..Hα-helixtrans-57.7-48.3175.6-174.8-179.9-173.4179.10111.6Y190 V192 I196 A197 L198 W331Y190-K194 WeakPolarHBondContact O-CB 3.38Å; Y190-K194 PolarHBondContact O-N 3.31Å; V192-K194 VanDerWaalsContact C-N 3.33Å; V192-K194 PolarHBondContact O-N 2.61Å; K194-I196 PolarHBondContact O-N 2.78Å; K194-A197 PolarHBondContact O-N 3.33Å; K194-L198 HydrophobicContact CD-CD1 4.44Å; K194-L198 HydrophobicContact CG-CD1 3.82Å; K194-L198 HydrophobicContact CG-CG 4.39Å; K194-L198 WeakPolarHBondContact O-CG 3.48Å; K194-L198 PolarHBondContact O-N 3.46Å; K194-W331 HydrophobicContact CB-CE3 3.96Å; K194-W331 HydrophobicContact CB-CH2 3.78Å; K194-W331 HydrophobicContact CB-CZ3 3.45Å; K194-W331 VanDerWaalsContact CB-CZ3 3.45Å; K194-W331 HydrophobicContact CD-CH2 3.44Å; K194-W331 VanDerWaalsContact CD-CH2 3.44Å; K194-W331 HydrophobicContact CD-CZ2 3.67Å; K194-W331 HydrophobicContact CD-CZ3 4.02Å; K194-W331 HydrophobicContact CG-CD2 4.07Å; K194-W331 HydrophobicContact CG-CE3 3.82Å; K194-W331 HydrophobicContact CG-CH2 3.52Å; K194-W331 HydrophobicContact CG-CZ2 3.91Å; K194-W331 HydrophobicContact CG-CZ3 3.54Å
195S95.3Very high95.1Very high79 Ų7964 Ų6455%0.55235%0.352SS*.Hα-helixtrans-58.4-47.2179.9-177.90000111.6T191 V192 W193 A197 L198 S199T191-S195 WeakPolarHBondContact O-CB 3.21Å; T191-S195 PolarHBondContact O-N 3.25Å; V192-S195 PolarHBondContact O-N 3.09Å; W193-S195 PolarHBondContact O-N 3.13Å; S195-A197 PolarHBondContact O-N 3.02Å; S195-L198 PolarHBondContact O-N 3.19Å; S195-S199 VanDerWaalsContact O-CB 3.3Å; S195-S199 WeakPolarHBondContact O-CB 3.34Å; S195-S199 PolarHBondContact O-N 3.4Å; S195-S199 PolarHBondContact O-OG 3.12Å
196I92.2Very high95.2Very high33 Ų3359.8 Ų59.817%0.16933%0.325CS..Hα-helixtrans-60-47.8177.1-66.2163.9000110.9V192 W193 K194 L198 S199 H288V192-I196 HydrophobicContact CG1-CD1 3.97Å; V192-I196 WeakPolarHBondContact O-CG1 3.41Å; V192-I196 PolarHBondContact O-N 3.43Å; W193-I196 HydrophobicContact CE3-CD1 4.31Å; W193-I196 HydrophobicContact CZ3-CD1 4.43Å; W193-I196 PolarHBondContact O-N 2.94Å; K194-I196 PolarHBondContact O-N 2.78Å; I196-L198 VanDerWaalsContact C-N 3.32Å; I196-L198 PolarHBondContact O-N 3.37Å; I196-S199 PolarHBondContact O-N 2.91Å; I196-S199 PolarHBondContact O-OG 2.93Å; I196-H288 HydrophobicContact CG2-CB 3.67Å
197A92.7Very high95.2Very high1 Ų157.6 Ų57.61%0.00831%0.312CS..Hα-helixtrans-61.3-38.1-178.200000113.4W193 K194 S195 K263 W331 Y334 I335W193-A197 WeakPolarHBondContact O-CB 3.47Å; W193-A197 PolarHBondContact O-N 2.65Å; K194-A197 PolarHBondContact O-N 3.33Å; S195-A197 PolarHBondContact O-N 3.02Å; A197-K263 PolarHBondContact O-NZ 2.88Å; A197-W331 HydrophobicContact CB-CB 4.05Å; A197-Y334 HydrophobicContact CB-CD1 3.65Å; A197-Y334 HydrophobicContact CB-CE1 4.09Å; A197-I335 HydrophobicContact CB-CG2 3.69Å
198L94.9Very high95.1Very high107 Ų10748.7 Ų48.756%0.5627%0.271SS*.Hα-helixtrans-82.6-21.2179.9-63.6178000113.1K194 S195 I196 K200 W331K194-L198 HydrophobicContact CD-CD1 4.44Å; K194-L198 HydrophobicContact CG-CD1 3.82Å; K194-L198 HydrophobicContact CG-CG 4.39Å; K194-L198 WeakPolarHBondContact O-CG 3.48Å; K194-L198 PolarHBondContact O-N 3.46Å; S195-L198 PolarHBondContact O-N 3.19Å; I196-L198 VanDerWaalsContact C-N 3.32Å; I196-L198 PolarHBondContact O-N 3.37Å; L198-K200 VanDerWaalsContact C-N 3.31Å; L198-K200 PolarHBondContact O-N 3.21Å; L198-W331 HydrophobicContact CD2-CB 4.11Å; L198-W331 HydrophobicContact CD2-CG 4.27Å
199S95.1Very high95Very high74 Ų7449.9 Ų49.952%0.51728%0.281SS..Hα-helixtrans-74-16.3-178.270.60000115.1S195 I196 P201S195-S199 VanDerWaalsContact O-CB 3.3Å; S195-S199 WeakPolarHBondContact O-CB 3.34Å; S195-S199 PolarHBondContact O-N 3.4Å; S195-S199 PolarHBondContact O-OG 3.12Å; I196-S199 PolarHBondContact O-N 2.91Å; I196-S199 PolarHBondContact O-OG 2.93Å; S199-P201 VanDerWaalsContact O-CD 3.22Å; S199-P201 WeakPolarHBondContact O-CD 2.99Å
200K95.2Very high94.9Very high7 Ų751 Ų513%0.0328%0.279CS..  trans-92.9107.2-174.1-69.8160.9174-74.40110.7L198 K259 Y262 K263 H288L198-K200 VanDerWaalsContact C-N 3.31Å; L198-K200 PolarHBondContact O-N 3.21Å; K200-K259 PolarHBondContact NZ-O 2.83Å; K200-Y262 VanDerWaalsContact CD-O 3.32Å; K200-Y262 WeakPolarHBondContact CD-O 3.38Å; K200-Y262 PolarHBondContact NZ-O 3.24Å; K200-K263 HydrophobicContact CB-CG 3.83Å; K200-K263 HydrophobicContact CD-CG 4.29Å; K200-K263 VanDerWaalsContact O-CE 3.26Å; K200-K263 WeakPolarHBondContact O-CE 3.42Å; K200-H288 WeakPolarHBondContact CE-O 3.36Å; K200-H288 PolarHBondContact NZ-O 2.74Å; K200-H288 VanDerWaalsContact NZ-O 3.16Å
201P95.4Very high95.1Very high96 Ų9647.6 Ų47.662%0.62327%0.272SS*.  trans-78.9-20.9-174.530.2-37.9000114.7S199 N261S199-P201 VanDerWaalsContact O-CD 3.22Å; S199-P201 WeakPolarHBondContact O-CD 2.99Å; P201-N261 WeakPolarHBondContact CD-O 3.37Å
202K97Very high95.1Very high63 Ų6348.2 Ų48.227%0.27427%0.271SS..EExtended strand (participates in β ladder)trans-109.1152.1-173.5-61-173.6172.4-166.10111.9D231 N261 Y262 K263K202-D231 WeakPolarHBondContact CD-OD2 3.36Å; K202-D231 IonicContact NZ-OD2 2.77Å; K202-D231 PolarHBondContact NZ-OD2 3.08Å; K202-N261 WeakPolarHBondContact CA-O 3.02Å; K202-N261 WeakPolarHBondContact CB-O 3.25Å; K202-N261 HydrophobicContact CD-CB 4.4Å; K202-N261 PolarHBondContact N-O 2.74Å; K202-Y262 HydrophobicContact CB-CD1 3.46Å; K202-Y262 VanDerWaalsContact CB-CD1 3.46Å; K202-Y262 HydrophobicContact CB-CE1 3.58Å; K202-Y262 HydrophobicContact CB-CG 4.21Å; K202-Y262 HydrophobicContact CD-CD1 4.12Å; K202-Y262 HydrophobicContact CD-CE1 3.38Å; K202-Y262 HydrophobicContact CD-CE2 4.3Å; K202-Y262 VanDerWaalsContact CD-CZ 3.5Å; K202-Y262 HydrophobicContact CG-CD1 4.46Å; K202-Y262 HydrophobicContact CG-CE1 4.15Å; K202-Y262 PolarHBondContact NZ-OH 3.15Å; K202-Y262 WeakPolarHBondContact O-CA 3.18Å; K202-K263 PolarHBondContact O-N 2.92Å; K202-K263 VanDerWaalsContact O-N 3.08Å
203N96.1Very high95.3Very high33 Ų3345.2 Ų45.218%0.17625%0.253CS..EExtended strand (participates in β ladder)trans-78.4-94.2-178.8-73.2-25.2000112.1M228 K263 F264 S328N203-M228 HydrophobicContact CB-CE 3.8Å; N203-K263 PolarHBondContact O-N 3.12Å; N203-F264 PolarHBondContact O-N 3.14Å; N203-S328 VanDerWaalsContact OD1-CB 3.3Å; N203-S328 WeakPolarHBondContact OD1-CB 3.47Å; N203-S328 PolarHBondContact OD1-OG 3.3Å
204A98.4Very high95.5Very high1 Ų146.3 Ų46.31%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-110.2148.8-171.100000112.4M228 V230 D231 F264 L266A204-M228 HydrophobicContact CB-CE 3.75Å; A204-V230 HydrophobicContact CB-CG1 4.38Å; A204-V230 HydrophobicContact CB-CG2 4.24Å; A204-D231 PolarHBondContact O-N 3.43Å; A204-F264 WeakPolarHBondContact CA-O 3.41Å; A204-F264 HydrophobicContact CB-CB 4.09Å; A204-L266 HydrophobicContact CB-CD2 4.41Å
205V98.2Very high95.6Very high0 Ų042 Ų420%024%0.243CC..EExtended strand (participates in β ladder)trans-134.5145.2173.565.40000111.3D231 Y233 L258 Y262 F264 Y265 L266 L289V205-D231 CarbonylContact C-O 3.59Å; V205-D231 VanDerWaalsContact CA-O 3.31Å; V205-D231 WeakPolarHBondContact CA-O 3.44Å; V205-D231 HydrophobicContact CG2-CB 4.34Å; V205-D231 WeakPolarHBondContact CG2-O 3.29Å; V205-Y233 HydrophobicContact CG2-CD2 3.62Å; V205-Y233 HydrophobicContact CG2-CE2 3.8Å; V205-L258 HydrophobicContact CB-CD2 4.31Å; V205-L258 HydrophobicContact CG1-CD2 3.91Å; V205-L258 HydrophobicContact CG2-CD2 3.61Å; V205-Y262 HydrophobicContact CB-CD1 3.56Å; V205-Y262 HydrophobicContact CB-CD2 3.91Å; V205-Y262 HydrophobicContact CB-CE1 3.72Å; V205-Y262 HydrophobicContact CB-CE2 4.07Å; V205-Y262 HydrophobicContact CB-CG 3.64Å; V205-Y262 HydrophobicContact CG1-CD1 4.05Å; V205-Y262 HydrophobicContact CG1-CD2 3.84Å; V205-Y262 HydrophobicContact CG1-CE2 4.41Å; V205-Y262 HydrophobicContact CG1-CG 3.62Å; V205-Y262 HydrophobicContact CG2-CD1 4.44Å; V205-Y262 HydrophobicContact CG2-CD2 4.29Å; V205-Y262 HydrophobicContact CG2-CE1 4.17Å; V205-Y262 HydrophobicContact CG2-CE2 4.03Å; V205-Y262 HydrophobicContact CG2-CG 4.48Å; V205-F264 PolarHBondContact N-O 3.23Å; V205-Y265 HydrophobicContact CG1-CD2 3.9Å; V205-L266 PolarHBondContact O-N 3.26Å; V205-L289 HydrophobicContact CG1-CD2 4.46Å
206W97.9Very high95.8Very high2 Ų240.4 Ų40.41%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-127.4131.7173.2-178.242.1000111.4R217 E218 V221 D231 V232 Y233 C236 L266W206-R217 HydrophobicContact CZ2-CG 3.95Å; W206-E218 HydrophobicContact CH2-CB 3.87Å; W206-E218 HydrophobicContact CZ3-CB 4.4Å; W206-V221 HydrophobicContact CD2-CG1 4.32Å; W206-V221 HydrophobicContact CD2-CG2 3.97Å; W206-V221 HydrophobicContact CE3-CB 4Å; W206-V221 HydrophobicContact CE3-CG1 3.63Å; W206-V221 HydrophobicContact CE3-CG2 3.91Å; W206-V221 HydrophobicContact CG-CG2 4.41Å; W206-V221 HydrophobicContact CZ3-CB 4.19Å; W206-V221 HydrophobicContact CZ3-CG1 4.17Å; W206-V221 HydrophobicContact CZ3-CG2 4.29Å; W206-D231 PolarHBondContact N-O 3.06Å; W206-V232 HydrophobicContact CB-CG2 4.48Å; W206-V232 HydrophobicContact CD2-CG1 4.24Å; W206-V232 HydrophobicContact CE3-CB 4.34Å; W206-V232 HydrophobicContact CE3-CG1 3.39Å; W206-V232 HydrophobicContact CE3-CG2 4.01Å; W206-V232 HydrophobicContact CZ3-CG1 3.89Å; W206-V232 WeakPolarHBondContact O-CA 3.34Å; W206-Y233 PolarHBondContact O-N 3.46Å; W206-C236 HydrophobicContact CH2-CB 3.78Å; W206-C236 HydrophobicContact CZ3-CB 3.83Å; W206-L266 HydrophobicContact CB-CB 4.03Å; W206-L266 HydrophobicContact CB-CD1 4.15Å; W206-L266 HydrophobicContact CB-CG 4.35Å; W206-L266 VanDerWaalsContact CD1-O 3.26Å; W206-L266 HydrophobicContact CG-CB 4.24Å
207M95.4Very high96Very high32 Ų3239 Ų3916%0.15822%0.218CC..EExtended strand (participates in β ladder)trans-102.995.4172.5-61.7-76.5-71.200109.2Y233 C241 L258 Y265M207-Y233 CarbonylContact C-O 3.56Å; M207-Y233 WeakPolarHBondContact SD-CB 3.15Å; M207-Y233 HydrophobicContact SD-CD2 4.26Å; M207-Y233 HydrophobicContact SD-CG 3.88Å; M207-C241 HydrophobicContact CE-CB 3.99Å; M207-L258 HydrophobicContact CE-CD1 4.44Å; M207-L258 HydrophobicContact CG-CD1 4.12Å; M207-L258 HydrophobicContact SD-CD1 3.94Å; M207-L258 HydrophobicContact SD-CD2 4.4Å; M207-Y265 HydrophobicContact CB-CE2 4.18Å; M207-Y265 HydrophobicContact CG-CE2 3.68Å
208G93.4Very high96.2Very high0 Ų040.3 Ų40.30%022%0.224CC..  trans-117.2105.1-175.400000112.2Y233 G234 K235 C236G208-Y233 PolarHBondContact N-O 2.85Å; G208-G234 CarbonylContact O-C 3.52Å; G208-K235 PolarHBondContact O-N 3.49Å; G208-C236 VanDerWaalsContact C-SG 3.55Å; G208-C236 WeakPolarHBondContact O-CB 3.06Å; G208-C236 PolarHBondContact O-N 2.68Å; G208-C236 PolarHBondContact O-SG 3.09Å
209S91.8Very high96.3Very high61 Ų6137.5 Ų37.543%0.42721%0.211SC..  trans-109-13.6172.9-68.10000114.6
210F93.8Very high96.5Very high95 Ų9534 Ų3442%0.41719%0.187SC..SBendtrans-114.3113.1174.2-178.7-136.2000108.5H146 T213 R217 C236 N270H146-F210 AromaticContact CE1-CE1 3.63Å; H146-F210 AromaticContact CE1-CZ 3.83Å; H146-F210 AromaticContact NE2-CE1 3.56Å; F210-T213 HydrophobicContact CD1-CG2 3.67Å; F210-T213 HydrophobicContact CE1-CG2 3.96Å; F210-T213 HydrophobicContact CG-CG2 4.11Å; F210-T213 WeakPolarHBondContact O-CG2 3.11Å; F210-R217 PolarHBondContact O-NH2 2.79Å; F210-C236 VanDerWaalsContact C-SG 3.54Å; F210-N270 HydrophobicContact CD1-CB 3.78Å; F210-N270 HydrophobicContact CE1-CB 4.11Å
211C95.6Very high96.6Very high47 Ų4733.6 Ų33.632%0.31819%0.185SC..  trans-112.1167.6-172.1-35.40000110.2T213 C236C211-T213 VanDerWaalsContact C-N 3.31Å; C211-T213 PolarHBondContact O-N 3.31Å; C211-C236 WeakPolarHBondContact CA-SG 3.2Å; C211-C236 HydrophobicContact CB-CB 4.1Å; C211-C236 WeakPolarHBondContact CB-SG 2.96Å; C211-C236 PolarHBondContact N-SG 2.91Å; C211-C236 WeakPolarHBondContact SG-CA 3.46Å; C211-C236 WeakPolarHBondContact SG-CB 3.49Å; C211-C236 PolarHBondContact SG-N 3.4Å; C211-C236 VanDerWaalsContact SG-N 3.41Å; C211-C236 CovalentContact SG-SG 2.04Å; C211-C236 PolarHBondContact SG-SG 2.94Å
212N96.5Very high96.7Very high117 Ų11733.1 Ų33.163%0.62617%0.174SC*.SBendtrans53.949.4-173-169.524.1000111.6K216 E218N212-K216 PolarHBondContact OD1-NZ 3.38Å; N212-E218 WeakPolarHBondContact CA-OE1 3.48Å; N212-E218 PolarHBondContact N-OE1 3.17Å
213T97.7Very high96.7Very high1 Ų134.1 Ų34.11%0.00618%0.179CC..  trans-82.2158.4-170.662.30000111.5F210 C211 S215 K216 E218 N270F210-T213 HydrophobicContact CD1-CG2 3.67Å; F210-T213 HydrophobicContact CE1-CG2 3.96Å; F210-T213 HydrophobicContact CG-CG2 4.11Å; F210-T213 WeakPolarHBondContact O-CG2 3.11Å; C211-T213 VanDerWaalsContact C-N 3.31Å; C211-T213 PolarHBondContact O-N 3.31Å; T213-S215 PolarHBondContact O-N 3.39Å; T213-S215 PolarHBondContact OG1-OG 3.27Å; T213-K216 WeakPolarHBondContact O-CD 3.48Å; T213-K216 PolarHBondContact O-N 2.92Å; T213-K216 PolarHBondContact OG1-N 3.39Å; T213-E218 PolarHBondContact N-OE1 3.14Å; T213-E218 VanDerWaalsContact N-OE1 3.1Å; T213-E218 PolarHBondContact N-OE2 3.12Å; T213-E218 PolarHBondContact OG1-OE2 2.77Å; T213-N270 WeakPolarHBondContact CB-O 3.15Å; T213-N270 HydrophobicContact CG2-CB 3.94Å
214P97.9Very high96.8Very high34 Ų3432.5 Ų32.522%0.22117%0.17CC..THydrogen-bonded Turntrans-54.1-35.6173.4-27.735000113.4H145 K216 N270 N395H145-P214 HydrophobicContact CB-CB 4.25Å; H145-P214 HydrophobicContact CB-CG 3.81Å; H145-P214 WeakPolarHBondContact ND1-CB 3.45Å; P214-K216 VanDerWaalsContact C-N 3.27Å; P214-K216 PolarHBondContact O-N 3.47Å; P214-N270 WeakPolarHBondContact CD-O 3.42Å; P214-N395 PolarHBondContact O-N 2.88Å
215S97.9Very high96.8Very high0 Ų036.4 Ų36.40%019%0.187CC..THydrogen-bonded Turntrans-69-20.6175.468.60000114.2T213 R217 E269 N270 Y396 G397T213-S215 PolarHBondContact O-N 3.39Å; T213-S215 PolarHBondContact OG1-OG 3.27Å; S215-R217 PolarHBondContact O-N 3.24Å; S215-R217 WeakPolarHBondContact OG-CB 3.5Å; S215-R217 PolarHBondContact OG-N 2.94Å; S215-R217 VanDerWaalsContact OG-N 3.14Å; S215-E269 WeakPolarHBondContact CB-O 3.41Å; S215-E269 PolarHBondContact OG-O 3.49Å; S215-N270 WeakPolarHBondContact CB-O 3.42Å; S215-N270 PolarHBondContact N-O 2.97Å; S215-N270 PolarHBondContact OG-O 2.79Å; S215-N270 VanDerWaalsContact OG-O 3.06Å; S215-Y396 PolarHBondContact O-N 2.91Å; S215-G397 WeakPolarHBondContact O-CA 3.31Å; S215-G397 PolarHBondContact O-N 3.38Å
216K97.9Very high96.8Very high44 Ų4442.2 Ų42.219%0.19121%0.214CC..  trans54.130-168.3-55.7-66.3178.1-178.90114N212 T213 P214 E218 V219 N395 L398N212-K216 PolarHBondContact OD1-NZ 3.38Å; T213-K216 WeakPolarHBondContact O-CD 3.48Å; T213-K216 PolarHBondContact O-N 2.92Å; T213-K216 PolarHBondContact OG1-N 3.39Å; P214-K216 VanDerWaalsContact C-N 3.27Å; P214-K216 PolarHBondContact O-N 3.47Å; K216-E218 WeakPolarHBondContact CA-OE1 3.08Å; K216-E218 PolarHBondContact O-N 2.9Å; K216-E218 VanDerWaalsContact O-N 3.16Å; K216-V219 HydrophobicContact CB-CG2 4.25Å; K216-V219 WeakPolarHBondContact O-CB 3.11Å; K216-V219 PolarHBondContact O-N 3.49Å; K216-N395 VanDerWaalsContact CE-OD1 3.3Å; K216-N395 WeakPolarHBondContact CE-OD1 3.39Å; K216-N395 HydrophobicContact CG-CB 4.28Å; K216-N395 WeakPolarHBondContact CG-OD1 3.42Å; K216-L398 HydrophobicContact CB-CD1 4.37Å; K216-L398 HydrophobicContact CB-CG 4.04Å; K216-L398 HydrophobicContact CD-CD1 4.45Å; K216-L398 HydrophobicContact CG-CD1 3.9Å; K216-L398 HydrophobicContact CG-CG 4.13Å
217R97.4Very high96.8Very high5 Ų545.6 Ų45.62%0.01923%0.227CC..Hα-helixtrans-53.8-34.2177.666.8-174.3174.4156.94.1113.1W206 F210 S215 V219 Y220 V221 F268 E269 F294W206-R217 HydrophobicContact CZ2-CG 3.95Å; F210-R217 PolarHBondContact O-NH2 2.79Å; S215-R217 PolarHBondContact O-N 3.24Å; S215-R217 WeakPolarHBondContact OG-CB 3.5Å; S215-R217 PolarHBondContact OG-N 2.94Å; S215-R217 VanDerWaalsContact OG-N 3.14Å; R217-V219 VanDerWaalsContact C-N 3.28Å; R217-V219 PolarHBondContact O-N 2.67Å; R217-Y220 PolarHBondContact O-N 3.37Å; R217-V221 WeakPolarHBondContact O-CG2 3.45Å; R217-V221 PolarHBondContact O-N 3.26Å; R217-F268 HydrophobicContact CB-CB 3.88Å; R217-F268 HydrophobicContact CB-CD2 4.42Å; R217-F268 VanDerWaalsContact CD-O 3.31Å; R217-F268 WeakPolarHBondContact CD-O 3.49Å; R217-F268 PolarHBondContact NH1-O 3.31Å; R217-E269 WeakPolarHBondContact CD-O 3.23Å; R217-F294 HydrophobicContact CB-CD1 4.4Å; R217-F294 HydrophobicContact CB-CE1 3.74Å; R217-F294 HydrophobicContact CB-CZ 4.01Å
218E97.5Very high96.9Very high27 Ų2744.7 Ų44.713%0.12622%0.223CC..Hα-helixtrans-61.1-35.5177.863-75.3175.900112.5W206 N212 T213 K216 V221 E222W206-E218 HydrophobicContact CH2-CB 3.87Å; W206-E218 HydrophobicContact CZ3-CB 4.4Å; N212-E218 WeakPolarHBondContact CA-OE1 3.48Å; N212-E218 PolarHBondContact N-OE1 3.17Å; T213-E218 PolarHBondContact N-OE1 3.14Å; T213-E218 VanDerWaalsContact N-OE1 3.1Å; T213-E218 PolarHBondContact N-OE2 3.12Å; T213-E218 PolarHBondContact OG1-OE2 2.77Å; K216-E218 WeakPolarHBondContact CA-OE1 3.08Å; K216-E218 PolarHBondContact O-N 2.9Å; K216-E218 VanDerWaalsContact O-N 3.16Å; E218-V221 PolarHBondContact O-N 3.35Å; E218-E222 WeakPolarHBondContact O-CG 3.44Å; E218-E222 PolarHBondContact O-N 3.41Å
219V97Very high97Very high48 Ų4849.8 Ų49.829%0.29125%0.247SC..Hα-helixtrans-68-42.7177.5-178.90000110.6K216 R217 V221 E222 K223 L398K216-V219 HydrophobicContact CB-CG2 4.25Å; K216-V219 WeakPolarHBondContact O-CB 3.11Å; K216-V219 PolarHBondContact O-N 3.49Å; R217-V219 VanDerWaalsContact C-N 3.28Å; R217-V219 PolarHBondContact O-N 2.67Å; V219-V221 VanDerWaalsContact C-N 3.35Å; V219-E222 PolarHBondContact O-N 2.69Å; V219-K223 PolarHBondContact O-N 2.02Å; V219-L398 HydrophobicContact CB-CD2 4.28Å; V219-L398 HydrophobicContact CG1-CD2 3.74Å; V219-L398 HydrophobicContact CG2-CD2 4.2Å
220Y98.2Very high97.3Very high0 Ų047.4 Ų47.40%023%0.23CC..Hα-helixtrans-64.4-40.4177-169.8-84.4000111.8R217 K223 L224 F268 F294 A311 P317 L320 M400 S401R217-Y220 PolarHBondContact O-N 3.37Å; Y220-K223 PolarHBondContact O-N 3.39Å; Y220-L224 WeakPolarHBondContact O-CB 3.35Å; Y220-L224 PolarHBondContact O-N 2.88Å; Y220-F268 AromaticContact CD1-CE2 3.77Å; Y220-F268 HydrophobicContact CD1-CE2 3.77Å; Y220-F268 HydrophobicContact CD1-CZ 4.17Å; Y220-F268 HydrophobicContact CE1-CE2 4.18Å; Y220-F268 HydrophobicContact CE1-CZ 4.12Å; Y220-F294 AromaticContact CD1-CE2 3.69Å; Y220-F294 HydrophobicContact CD1-CE2 3.69Å; Y220-F294 HydrophobicContact CD1-CZ 4.39Å; Y220-F294 HydrophobicContact CD2-CE2 4.14Å; Y220-F294 HydrophobicContact CD2-CZ 4.44Å; Y220-F294 HydrophobicContact CE1-CE2 4.25Å; Y220-F294 AromaticContact CG-CE2 3.61Å; Y220-F294 HydrophobicContact CG-CE2 3.61Å; Y220-F294 AromaticContact CG-CZ 3.92Å; Y220-F294 HydrophobicContact CG-CZ 3.92Å; Y220-A311 HydrophobicContact CE1-CB 4.29Å; Y220-P317 HydrophobicContact CE1-CB 4.26Å; Y220-P317 HydrophobicContact CE2-CB 4.16Å; Y220-P317 HydrophobicContact CE2-CG 4.4Å; Y220-L320 HydrophobicContact CE1-CD2 3.85Å; Y220-L320 WeakPolarHBondContact OH-CD2 3.3Å; Y220-M400 HydrophobicContact CD2-CB 3.62Å; Y220-M400 HydrophobicContact CE2-CB 3.53Å; Y220-M400 HydrophobicContact CE2-CE 4.17Å; Y220-M400 WeakPolarHBondContact CE2-O 3.35Å; Y220-S401 WeakPolarHBondContact CA-OG 3.41Å
221V98.3Very high97.6Very high0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-63.9-41.6175.5175.40000111.5W206 R217 E218 V219 K223 L224 K225 V230 V232 L266 F268W206-V221 HydrophobicContact CD2-CG1 4.32Å; W206-V221 HydrophobicContact CD2-CG2 3.97Å; W206-V221 HydrophobicContact CE3-CB 4Å; W206-V221 HydrophobicContact CE3-CG1 3.63Å; W206-V221 HydrophobicContact CE3-CG2 3.91Å; W206-V221 HydrophobicContact CG-CG2 4.41Å; W206-V221 HydrophobicContact CZ3-CB 4.19Å; W206-V221 HydrophobicContact CZ3-CG1 4.17Å; W206-V221 HydrophobicContact CZ3-CG2 4.29Å; R217-V221 WeakPolarHBondContact O-CG2 3.45Å; R217-V221 PolarHBondContact O-N 3.26Å; E218-V221 PolarHBondContact O-N 3.35Å; V219-V221 VanDerWaalsContact C-N 3.35Å; V221-K223 VanDerWaalsContact C-N 3.31Å; V221-K223 PolarHBondContact O-N 2.87Å; V221-L224 PolarHBondContact O-N 3.27Å; V221-K225 HydrophobicContact CG1-CD 4.37Å; V221-K225 WeakPolarHBondContact O-CG 3.48Å; V221-K225 PolarHBondContact O-N 3.3Å; V221-V230 HydrophobicContact CG1-CG1 4.26Å; V221-V232 HydrophobicContact CG1-CG2 4.12Å; V221-L266 HydrophobicContact CG1-CD1 4.4Å; V221-L266 HydrophobicContact CG2-CD1 3.99Å; V221-F268 HydrophobicContact CG2-CD2 3.78Å; V221-F268 HydrophobicContact CG2-CE2 3.89Å
222E97.1Very high97.7Very high85 Ų8542.2 Ų42.240%0.39720%0.203SC..Hα-helixtrans-63.8-35.4175.5-73.1-52.2127.900112.8E218 V219 K225E218-E222 WeakPolarHBondContact O-CG 3.44Å; E218-E222 PolarHBondContact O-N 3.41Å; V219-E222 PolarHBondContact O-N 2.69Å; E222-K225 IonicContact OE1-NZ 3.29Å; E222-K225 PolarHBondContact OE1-NZ 2.93Å; E222-K225 IonicContact OE2-NZ 3.24Å; E222-K225 PolarHBondContact OE2-NZ 3.36Å
223K97.6Very high97.7Very high84 Ų8437.8 Ų37.837%0.36518%0.178SC..Hα-helixtrans-68.7-41.8171.3-71.8-64.7-166170.80112.4V219 Y220 V221 K225 Q226 Y227 P317V219-K223 PolarHBondContact O-N 2.02Å; Y220-K223 PolarHBondContact O-N 3.39Å; V221-K223 VanDerWaalsContact C-N 3.31Å; V221-K223 PolarHBondContact O-N 2.87Å; K223-K225 VanDerWaalsContact C-N 3.27Å; K223-K225 PolarHBondContact O-N 3.31Å; K223-Q226 VanDerWaalsContact O-CB 3.3Å; K223-Q226 WeakPolarHBondContact O-CB 3.2Å; K223-Q226 WeakPolarHBondContact O-CG 3.4Å; K223-Q226 PolarHBondContact O-N 2.9Å; K223-Q226 VanDerWaalsContact O-N 3.07Å; K223-Y227 WeakPolarHBondContact O-CD2 3.05Å; K223-P317 HydrophobicContact CB-CB 4.19Å; K223-P317 HydrophobicContact CB-CG 3.78Å
224L98.3Very high97.5Very high0 Ų038.4 Ų38.40%019%0.185CC..Hα-helixtrans-60.4-37.1178-17465000112.3Y220 V221 Q226 Y227 M228 V230 L266 P317 L320 A321Y220-L224 WeakPolarHBondContact O-CB 3.35Å; Y220-L224 PolarHBondContact O-N 2.88Å; V221-L224 PolarHBondContact O-N 3.27Å; L224-Q226 PolarHBondContact O-N 2.82Å; L224-Q226 VanDerWaalsContact O-N 3.12Å; L224-Y227 PolarHBondContact O-N 3.37Å; L224-M228 HydrophobicContact CD1-CG 4.17Å; L224-M228 HydrophobicContact CD1-SD 3.96Å; L224-M228 HydrophobicContact CD2-SD 4.39Å; L224-M228 HydrophobicContact CG-CG 4.1Å; L224-M228 HydrophobicContact CG-SD 4.13Å; L224-M228 PolarHBondContact O-N 3.16Å; L224-M228 VanDerWaalsContact O-N 3.15Å; L224-V230 HydrophobicContact CD2-CG2 4.06Å; L224-V230 HydrophobicContact CG-CG2 4.04Å; L224-L266 HydrophobicContact CD2-CD1 3.81Å; L224-L266 HydrophobicContact CD2-CD2 4.27Å; L224-P317 HydrophobicContact CB-CB 4.28Å; L224-P317 HydrophobicContact CD1-CB 4.27Å; L224-P317 VanDerWaalsContact CD1-O 3.22Å; L224-P317 WeakPolarHBondContact CD1-O 3.42Å; L224-L320 HydrophobicContact CD1-CD2 4.24Å; L224-L320 HydrophobicContact CD1-CG 4.38Å; L224-L320 HydrophobicContact CD2-CD2 4.41Å; L224-A321 HydrophobicContact CD1-CB 3.84Å
225K97.7Very high97.3Very high82 Ų8245.1 Ų45.136%0.35721%0.211SC..THydrogen-bonded Turntrans-58.9-20.4175.2-77.5166.469.1-160.50114.1V221 E222 K223 Y227 M228 V230 V232V221-K225 HydrophobicContact CG1-CD 4.37Å; V221-K225 WeakPolarHBondContact O-CG 3.48Å; V221-K225 PolarHBondContact O-N 3.3Å; E222-K225 IonicContact OE1-NZ 3.29Å; E222-K225 PolarHBondContact OE1-NZ 2.93Å; E222-K225 IonicContact OE2-NZ 3.24Å; E222-K225 PolarHBondContact OE2-NZ 3.36Å; K223-K225 VanDerWaalsContact C-N 3.27Å; K223-K225 PolarHBondContact O-N 3.31Å; K225-Y227 VanDerWaalsContact C-N 3.27Å; K225-M228 WeakPolarHBondContact CA-O 3.4Å; K225-V230 HydrophobicContact CG-CB 3.77Å; K225-V230 HydrophobicContact CG-CG2 4.16Å; K225-V232 HydrophobicContact CD-CG2 4.3Å
226Q97.7Very high97.2Very high123 Ų12346.2 Ų46.258%0.57522%0.218SC*.THydrogen-bonded Turntrans-74.4-20.7176.6-55.8-176.8-6.700112.3K223 L224K223-Q226 VanDerWaalsContact O-CB 3.3Å; K223-Q226 WeakPolarHBondContact O-CB 3.2Å; K223-Q226 WeakPolarHBondContact O-CG 3.4Å; K223-Q226 PolarHBondContact O-N 2.9Å; K223-Q226 VanDerWaalsContact O-N 3.07Å; L224-Q226 PolarHBondContact O-N 2.82Å; L224-Q226 VanDerWaalsContact O-N 3.12Å
227Y97.9Very high97.1Very high72 Ų7244.8 Ų44.828%0.28222%0.216SC..THydrogen-bonded Turntrans-116-14.7-172.6-54.3-60.3000113.6K223 L224 K225 P317 K318 A321 E403K223-Y227 WeakPolarHBondContact O-CD2 3.05Å; L224-Y227 PolarHBondContact O-N 3.37Å; K225-Y227 VanDerWaalsContact C-N 3.27Å; Y227-P317 HydrophobicContact CD2-CB 4.34Å; Y227-P317 HydrophobicContact CE2-CB 4.42Å; Y227-P317 HydrophobicContact CE2-CG 4.17Å; Y227-K318 HydrophobicContact CD1-CB 4.09Å; Y227-K318 HydrophobicContact CD1-CD 4.26Å; Y227-K318 HydrophobicContact CD1-CG 3.75Å; Y227-K318 VanDerWaalsContact CD2-CA 3.46Å; Y227-K318 HydrophobicContact CD2-CB 3.74Å; Y227-K318 HydrophobicContact CD2-CG 4.27Å; Y227-K318 HydrophobicContact CE1-CB 4.01Å; Y227-K318 HydrophobicContact CE1-CD 4.02Å; Y227-K318 HydrophobicContact CE1-CG 3.88Å; Y227-K318 HydrophobicContact CE2-CB 3.63Å; Y227-K318 HydrophobicContact CE2-CG 4.37Å; Y227-K318 HydrophobicContact CG-CB 3.95Å; Y227-K318 HydrophobicContact CG-CG 3.94Å; Y227-A321 VanDerWaalsContact CB-CB 3.47Å; Y227-E403 PolarHBondContact OH-OE1 3.24Å
228M97.7Very high96.9Very high13 Ų1351.6 Ų51.66%0.06425%0.253CS..SBendtrans-157.3160.7174.464.6177.4-59.300112.5N203 A204 L224 K225 V230 A321 L324N203-M228 HydrophobicContact CB-CE 3.8Å; A204-M228 HydrophobicContact CB-CE 3.75Å; L224-M228 HydrophobicContact CD1-CG 4.17Å; L224-M228 HydrophobicContact CD1-SD 3.96Å; L224-M228 HydrophobicContact CD2-SD 4.39Å; L224-M228 HydrophobicContact CG-CG 4.1Å; L224-M228 HydrophobicContact CG-SD 4.13Å; L224-M228 PolarHBondContact O-N 3.16Å; L224-M228 VanDerWaalsContact O-N 3.15Å; K225-M228 WeakPolarHBondContact CA-O 3.4Å; M228-V230 HydrophobicContact CG-CG2 3.93Å; M228-V230 PolarHBondContact O-N 3.43Å; M228-V230 HydrophobicContact SD-CG2 4.49Å; M228-A321 HydrophobicContact CB-CB 4.05Å; M228-A321 HydrophobicContact CG-CB 3.86Å; M228-A321 HydrophobicContact SD-CB 3.92Å; M228-L324 HydrophobicContact CE-CB 3.88Å; M228-L324 HydrophobicContact CE-CD1 4.01Å; M228-L324 HydrophobicContact SD-CB 4.01Å; M228-L324 HydrophobicContact SD-CD1 3.66Å; M228-L324 HydrophobicContact SD-CG 4.42Å
229Q96.3Very high96.9Very high108 Ų10853.3 Ų53.351%0.50526%0.262SS..  trans-65.6119.9170.8-174-17628.700110.8
230V98.4Very high96.7Very high11 Ų1157.6 Ų57.67%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-128.2115.6170.4-172.80000108.7A204 V221 L224 K225 M228 V232 L266A204-V230 HydrophobicContact CB-CG1 4.38Å; A204-V230 HydrophobicContact CB-CG2 4.24Å; V221-V230 HydrophobicContact CG1-CG1 4.26Å; L224-V230 HydrophobicContact CD2-CG2 4.06Å; L224-V230 HydrophobicContact CG-CG2 4.04Å; K225-V230 HydrophobicContact CG-CB 3.77Å; K225-V230 HydrophobicContact CG-CG2 4.16Å; M228-V230 HydrophobicContact CG-CG2 3.93Å; M228-V230 PolarHBondContact O-N 3.43Å; M228-V230 HydrophobicContact SD-CG2 4.49Å; V230-V232 HydrophobicContact CG1-CG2 4.35Å; V230-L266 HydrophobicContact CG1-CD1 3.73Å
231D98.3Very high96.4Very high23 Ų2359 Ų5912%0.12329%0.287CS..EExtended strand (participates in β ladder)trans-82.6131.5173.2-78.8-6.1000109.5K202 A204 V205 W206 Y233 L239 Y262K202-D231 WeakPolarHBondContact CD-OD2 3.36Å; K202-D231 IonicContact NZ-OD2 2.77Å; K202-D231 PolarHBondContact NZ-OD2 3.08Å; A204-D231 PolarHBondContact O-N 3.43Å; V205-D231 CarbonylContact C-O 3.59Å; V205-D231 VanDerWaalsContact CA-O 3.31Å; V205-D231 WeakPolarHBondContact CA-O 3.44Å; V205-D231 HydrophobicContact CG2-CB 4.34Å; V205-D231 WeakPolarHBondContact CG2-O 3.29Å; W206-D231 PolarHBondContact N-O 3.06Å; D231-Y233 HydrophobicContact CB-CE2 4.2Å; D231-L239 HydrophobicContact CB-CD1 3.59Å; D231-Y262 HydrophobicContact CB-CE1 3.73Å; D231-Y262 WeakPolarHBondContact CB-OH 3.24Å; D231-Y262 WeakPolarHBondContact OD2-CE1 3.18Å; D231-Y262 PolarHBondContact OD2-OH 3.43Å
232V98.1Very high95.7Very high9 Ų963.7 Ų63.76%0.05532%0.317CS..EExtended strand (participates in β ladder)trans-119.1116.8-177.4-174.40000110.8W206 V221 K225 V230 L239W206-V232 HydrophobicContact CB-CG2 4.48Å; W206-V232 HydrophobicContact CD2-CG1 4.24Å; W206-V232 HydrophobicContact CE3-CB 4.34Å; W206-V232 HydrophobicContact CE3-CG1 3.39Å; W206-V232 HydrophobicContact CE3-CG2 4.01Å; W206-V232 HydrophobicContact CZ3-CG1 3.89Å; W206-V232 WeakPolarHBondContact O-CA 3.34Å; V221-V232 HydrophobicContact CG1-CG2 4.12Å; K225-V232 HydrophobicContact CD-CG2 4.3Å; V230-V232 HydrophobicContact CG1-CG2 4.35Å; V232-L239 WeakPolarHBondContact O-CB 3.34Å; V232-L239 PolarHBondContact O-N 3.2Å
233Y96.3Very high95Very high24 Ų2467.5 Ų67.59%0.09433%0.332CS..EExtended strand (participates in β ladder)trans-104.3144177.9-73.2-99000111.6V205 W206 M207 G208 D231 L239 C241 M257 L258 Y262V205-Y233 HydrophobicContact CG2-CD2 3.62Å; V205-Y233 HydrophobicContact CG2-CE2 3.8Å; W206-Y233 PolarHBondContact O-N 3.46Å; M207-Y233 CarbonylContact C-O 3.56Å; M207-Y233 WeakPolarHBondContact SD-CB 3.15Å; M207-Y233 HydrophobicContact SD-CD2 4.26Å; M207-Y233 HydrophobicContact SD-CG 3.88Å; G208-Y233 PolarHBondContact N-O 2.85Å; D231-Y233 HydrophobicContact CB-CE2 4.2Å; Y233-L239 VanDerWaalsContact CA-O 3.31Å; Y233-L239 WeakPolarHBondContact CA-O 3.35Å; Y233-L239 HydrophobicContact CD1-CB 3.5Å; Y233-L239 HydrophobicContact CD2-CB 4.03Å; Y233-L239 HydrophobicContact CD2-CD1 4.01Å; Y233-L239 HydrophobicContact CE1-CB 3.59Å; Y233-L239 HydrophobicContact CE1-CD1 4.32Å; Y233-L239 HydrophobicContact CE2-CB 4.1Å; Y233-L239 HydrophobicContact CE2-CD1 3.55Å; Y233-L239 HydrophobicContact CE2-CG 4.49Å; Y233-L239 HydrophobicContact CG-CB 3.73Å; Y233-C241 HydrophobicContact CD1-CB 4.35Å; Y233-C241 WeakPolarHBondContact CD1-SG 3.32Å; Y233-M257 HydrophobicContact CE1-CE 3.83Å; Y233-M257 HydrophobicContact CE2-CE 4.09Å; Y233-M257 VanDerWaalsContact CZ-CE 3.47Å; Y233-M257 VanDerWaalsContact OH-CE 3.27Å; Y233-M257 WeakPolarHBondContact OH-CE 3.17Å; Y233-L258 HydrophobicContact CE2-CD2 4.45Å; Y233-Y262 HydrophobicContact CE2-CE2 4.47Å; Y233-Y262 PolarHBondContact OH-OH 2.91Å
234G94.1Very high94.4Very high15 Ų1566.4 Ų66.416%0.15533%0.333CS..SBendtrans113.9-148.5174.100000112.8G208 G237 L239 K240G208-G234 CarbonylContact O-C 3.52Å; G234-G237 VanDerWaalsContact O-O 3.04Å; G234-L239 PolarHBondContact N-O 2.94Å; G234-K240 PolarHBondContact O-NZ 2.85Å
235K94.4Very high93.6Very high174 Ų17474.8 Ų74.876%0.75738%0.377SS*.SBendtrans-82.2-22.3-179.7-63.5-174.1179.1178.40113.1G208 G237G208-K235 PolarHBondContact O-N 3.49Å; K235-G237 VanDerWaalsContact C-N 3.31Å
236C95.9Very high92.9Very high23 Ų2373.5 Ų73.516%0.15538%0.377CS..SBendtrans-90.67.1-179.5-45.50000113.2W206 G208 F210 C211W206-C236 HydrophobicContact CH2-CB 3.78Å; W206-C236 HydrophobicContact CZ3-CB 3.83Å; G208-C236 VanDerWaalsContact C-SG 3.55Å; G208-C236 WeakPolarHBondContact O-CB 3.06Å; G208-C236 PolarHBondContact O-N 2.68Å; G208-C236 PolarHBondContact O-SG 3.09Å; F210-C236 VanDerWaalsContact C-SG 3.54Å; C211-C236 WeakPolarHBondContact CA-SG 3.2Å; C211-C236 HydrophobicContact CB-CB 4.1Å; C211-C236 WeakPolarHBondContact CB-SG 2.96Å; C211-C236 PolarHBondContact N-SG 2.91Å; C211-C236 WeakPolarHBondContact SG-CA 3.46Å; C211-C236 WeakPolarHBondContact SG-CB 3.49Å; C211-C236 PolarHBondContact SG-N 3.4Å; C211-C236 VanDerWaalsContact SG-N 3.41Å; C211-C236 CovalentContact SG-SG 2.04Å; C211-C236 PolarHBondContact SG-SG 2.94Å
237G94.7Very high92.1Very high14 Ų1468.8 Ų68.814%0.14436%0.359CS..SBendtrans-156-178.2177.100000112.3G234 K235 K240G234-G237 VanDerWaalsContact O-O 3.04Å; K235-G237 VanDerWaalsContact C-N 3.31Å; G237-K240 PolarHBondContact O-NZ 3.41Å; G237-K240 VanDerWaalsContact O-NZ 3.09Å
238D94.5Very high91.2Very high149 Ų14970.7 Ų70.780%0.79737%0.366SS*.SBendtrans-88.8-23.3-168.7-55.5-47.2000112.8
239L96.9Very high90.6Very high63 Ų6374.7 Ų74.733%0.3339%0.386SS..BIsolated β-bridgetrans-81150.2-179.9-52.9174.8000111.1D231 V232 Y233 G234D231-L239 HydrophobicContact CB-CD1 3.59Å; V232-L239 WeakPolarHBondContact O-CB 3.34Å; V232-L239 PolarHBondContact O-N 3.2Å; Y233-L239 VanDerWaalsContact CA-O 3.31Å; Y233-L239 WeakPolarHBondContact CA-O 3.35Å; Y233-L239 HydrophobicContact CD1-CB 3.5Å; Y233-L239 HydrophobicContact CD2-CB 4.03Å; Y233-L239 HydrophobicContact CD2-CD1 4.01Å; Y233-L239 HydrophobicContact CE1-CB 3.59Å; Y233-L239 HydrophobicContact CE1-CD1 4.32Å; Y233-L239 HydrophobicContact CE2-CB 4.1Å; Y233-L239 HydrophobicContact CE2-CD1 3.55Å; Y233-L239 HydrophobicContact CE2-CG 4.49Å; Y233-L239 HydrophobicContact CG-CB 3.73Å; G234-L239 PolarHBondContact N-O 2.94Å
240K93.3Very high90.1Very high137 Ų13774.4 Ų74.460%0.59638%0.383SS*.  trans-124.3137.1-175.2-54.4-60.8168.4-152.80110.8G234 G237G234-K240 PolarHBondContact O-NZ 2.85Å; G237-K240 PolarHBondContact O-NZ 3.41Å; G237-K240 VanDerWaalsContact O-NZ 3.09Å
241C90.4Very high89.6Confident30 Ų3080 Ų8020%0.20341%0.408CS..  trans-116.4116.3162.1-79.80000107.2M207 Y233 C254M207-C241 HydrophobicContact CE-CB 3.99Å; Y233-C241 HydrophobicContact CD1-CB 4.35Å; Y233-C241 WeakPolarHBondContact CD1-SG 3.32Å; C241-C254 HydrophobicContact CB-CB 3.55Å; C241-C254 WeakPolarHBondContact CB-SG 3.41Å; C241-C254 WeakPolarHBondContact SG-CB 3.44Å; C241-C254 CovalentContact SG-SG 2.02Å; C241-C254 PolarHBondContact SG-SG 2.94Å
242P84.9Confident89.3Confident99 Ų9979.1 Ų79.164%0.64340%0.404SS*.  trans-56.3138.9176.6-24.334.1000110.8T244P242-T244 HydrophobicContact CB-CG2 4.37Å; P242-T244 PolarHBondContact O-N 2.91Å
243K81.6Confident89Confident165 Ų16586.7 Ų86.772%0.71744%0.439SS*.  trans-82.2100168.8-71-166.7172.7-1610108.1
244T84.3Confident88.9Confident60 Ų6086 Ų8637%0.36844%0.437SS..  trans-93.1171.2173.761.60000109.9P242 T246 A247 D252P242-T244 HydrophobicContact CB-CG2 4.37Å; P242-T244 PolarHBondContact O-N 2.91Å; T244-T246 PolarHBondContact O-N 3.26Å; T244-T246 PolarHBondContact OG1-N 3.03Å; T244-T246 PolarHBondContact OG1-OG1 3.31Å; T244-T246 VanDerWaalsContact OG1-OG1 3.04Å; T244-A247 VanDerWaalsContact O-CB 3.22Å; T244-A247 WeakPolarHBondContact O-CB 2.95Å; T244-A247 PolarHBondContact O-N 3.03Å; T244-A247 PolarHBondContact OG1-N 3.18Å; T244-D252 PolarHBondContact OG1-OD1 2.88Å
245D82.4Confident88.8Confident176 Ų17686 Ų8694%0.94143%0.433SS*.THydrogen-bonded Turntrans-62.9-19.9172.2-62.9-27.1000112.5
246T82.1Confident88.8Confident55 Ų5581.9 Ų81.934%0.33742%0.417SS..THydrogen-bonded Turntrans-95.84.8175.758.10000112.9T244 Y248 M249 D252T244-T246 PolarHBondContact O-N 3.26Å; T244-T246 PolarHBondContact OG1-N 3.03Å; T244-T246 PolarHBondContact OG1-OG1 3.31Å; T244-T246 VanDerWaalsContact OG1-OG1 3.04Å; T246-Y248 PolarHBondContact O-N 2.75Å; T246-M249 HydrophobicContact CG2-SD 4.38Å; T246-M249 WeakPolarHBondContact O-CA 3.29Å; T246-M249 WeakPolarHBondContact O-CB 3.04Å; T246-M249 VanDerWaalsContact O-CG 3.3Å; T246-M249 WeakPolarHBondContact O-CG 3.36Å; T246-M249 PolarHBondContact O-N 3.21Å; T246-D252 WeakPolarHBondContact O-CB 3.48Å; T246-D252 PolarHBondContact OG1-OD1 3.3Å
247A81.6Confident88.8Confident24 Ų2482.9 Ų82.920%0.19842%0.42CS..THydrogen-bonded Turntrans-50.1133.4-173.600000111.4T244 M249T244-A247 VanDerWaalsContact O-CB 3.22Å; T244-A247 WeakPolarHBondContact O-CB 2.95Å; T244-A247 PolarHBondContact O-N 3.03Å; T244-A247 PolarHBondContact OG1-N 3.18Å; A247-M249 PolarHBondContact O-N 3.11Å
248Y79.3Confident88.8Confident112 Ų11282.2 Ų82.244%0.43941%0.413SS..THydrogen-bonded Turntrans70.5-6.2-177.3-38.1-67.4000116.1T246T246-Y248 PolarHBondContact O-N 2.75Å
249M85Confident88.8Confident98 Ų9879.1 Ų79.148%0.48339%0.392SS..SBendtrans-76.1157.2169-55.5179.563.800110.5T246 A247 E251 D252 E255T246-M249 HydrophobicContact CG2-SD 4.38Å; T246-M249 WeakPolarHBondContact O-CA 3.29Å; T246-M249 WeakPolarHBondContact O-CB 3.04Å; T246-M249 VanDerWaalsContact O-CG 3.3Å; T246-M249 WeakPolarHBondContact O-CG 3.36Å; T246-M249 PolarHBondContact O-N 3.21Å; A247-M249 PolarHBondContact O-N 3.11Å; M249-E251 PolarHBondContact O-N 3.49Å; M249-D252 WeakPolarHBondContact O-CB 3.32Å; M249-D252 PolarHBondContact O-N 3.45Å; M249-D252 VanDerWaalsContact O-N 3.09Å; M249-E255 WeakPolarHBondContact O-CG 3.42Å
250K85.5Confident88.7Confident102 Ų10283.4 Ų83.444%0.44341%0.408SS..THydrogen-bonded Turntrans-61.5-32.6-176.5-67.1-173.6-172.3-173.60112.1D252 Q256 D286K250-D252 PolarHBondContact O-N 3.13Å; K250-Q256 PolarHBondContact O-NE2 3.43Å; K250-D286 WeakPolarHBondContact CE-OD2 3.41Å; K250-D286 IonicContact NZ-OD2 3.03Å; K250-D286 PolarHBondContact NZ-OD2 3.43Å
251E87.7Confident88.9Confident128 Ų12878.7 Ų78.760%0.59839%0.389SS*.THydrogen-bonded Turntrans-78-11.1-177-58.268.8-145.600112.5M249M249-E251 PolarHBondContact O-N 3.49Å
252D91.8Very high89.2Confident5 Ų577.3 Ų77.33%0.02738%0.38CS..  trans-60.4138.4179.6-176.663.3000112.2T244 T246 M249 K250 C254 E255 Q256T244-D252 PolarHBondContact OG1-OD1 2.88Å; T246-D252 WeakPolarHBondContact O-CB 3.48Å; T246-D252 PolarHBondContact OG1-OD1 3.3Å; M249-D252 WeakPolarHBondContact O-CB 3.32Å; M249-D252 PolarHBondContact O-N 3.45Å; M249-D252 VanDerWaalsContact O-N 3.09Å; K250-D252 PolarHBondContact O-N 3.13Å; D252-C254 VanDerWaalsContact C-N 3.29Å; D252-C254 PolarHBondContact O-N 3.24Å; D252-C254 WeakPolarHBondContact OD2-CA 3.45Å; D252-C254 WeakPolarHBondContact OD2-CB 3.45Å; D252-C254 PolarHBondContact OD2-N 2.99Å; D252-E255 HydrophobicContact CB-CB 4.12Å; D252-E255 HydrophobicContact CB-CG 3.94Å; D252-E255 PolarHBondContact O-N 2.95Å; D252-E255 PolarHBondContact OD2-N 3.34Å; D252-Q256 WeakPolarHBondContact O-CG 3.45Å; D252-Q256 PolarHBondContact O-N 3.42Å
253Q92.2Very high89.8Confident168 Ų16873.2 Ų73.279%0.78535%0.352SS*.Hα-helixtrans-62.5-36.5-178.3-68-174.3-11.800112.4M257Q253-M257 WeakPolarHBondContact O-CB 3.3Å; Q253-M257 PolarHBondContact O-N 2.98Å
254C93.5Very high90.6Very high10 Ų1065.4 Ų65.47%0.06832%0.318CS..Hα-helixtrans-68.9-45.4175.6176.50000110.2C241 D252 Q256 M257 L258C241-C254 HydrophobicContact CB-CB 3.55Å; C241-C254 WeakPolarHBondContact CB-SG 3.41Å; C241-C254 WeakPolarHBondContact SG-CB 3.44Å; C241-C254 CovalentContact SG-SG 2.02Å; C241-C254 PolarHBondContact SG-SG 2.94Å; D252-C254 VanDerWaalsContact C-N 3.29Å; D252-C254 PolarHBondContact O-N 3.24Å; D252-C254 WeakPolarHBondContact OD2-CA 3.45Å; D252-C254 WeakPolarHBondContact OD2-CB 3.45Å; D252-C254 PolarHBondContact OD2-N 2.99Å; C254-Q256 VanDerWaalsContact C-N 3.34Å; C254-Q256 PolarHBondContact O-N 3Å; C254-M257 WeakPolarHBondContact O-CB 3.4Å; C254-M257 PolarHBondContact O-N 2.95Å; C254-L258 VanDerWaalsContact O-CG 3.25Å; C254-L258 WeakPolarHBondContact O-CG 3.42Å; C254-L258 PolarHBondContact O-N 2.63Å
255E93Very high91.3Very high14 Ų1462.9 Ų62.97%0.06530%0.302CS..Hα-helixtrans-60.6-41.8177.5-63.1-58.8163.800112.7M249 D252 L258 K259 R284M249-E255 WeakPolarHBondContact O-CG 3.42Å; D252-E255 HydrophobicContact CB-CB 4.12Å; D252-E255 HydrophobicContact CB-CG 3.94Å; D252-E255 PolarHBondContact O-N 2.95Å; D252-E255 PolarHBondContact OD2-N 3.34Å; E255-L258 PolarHBondContact O-N 3.05Å; E255-K259 WeakPolarHBondContact O-CB 3.33Å; E255-K259 PolarHBondContact O-N 2.86Å; E255-R284 VanDerWaalsContact CD-NH2 3.35Å; E255-R284 IonicContact OE1-CZ 2.65Å; E255-R284 VanDerWaalsContact OE1-CZ 3.29Å; E255-R284 IonicContact OE1-NE 3.2Å; E255-R284 IonicContact OE1-NH2 3.9Å; E255-R284 PolarHBondContact OE1-NH2 3.15Å; E255-R284 WeakPolarHBondContact OE2-CG 3.42Å; E255-R284 IonicContact OE2-CZ 2.78Å; E255-R284 VanDerWaalsContact OE2-CZ 3.24Å; E255-R284 IonicContact OE2-NE 2.72Å; E255-R284 PolarHBondContact OE2-NE 2.72Å; E255-R284 IonicContact OE2-NH2 2.83Å; E255-R284 PolarHBondContact OE2-NH2 2.03Å
256Q93.9Very high92.1Very high88 Ų8854.6 Ų54.641%0.41126%0.257SS..Hα-helixtrans-64-41.6174.6-69-67.1-16.800112.2K250 D252 C254 K259 K260K250-Q256 PolarHBondContact O-NE2 3.43Å; D252-Q256 WeakPolarHBondContact O-CG 3.45Å; D252-Q256 PolarHBondContact O-N 3.42Å; C254-Q256 VanDerWaalsContact C-N 3.34Å; C254-Q256 PolarHBondContact O-N 3Å; Q256-K259 PolarHBondContact O-N 2.83Å; Q256-K260 WeakPolarHBondContact O-CB 3.45Å; Q256-K260 PolarHBondContact O-N 2.92Å
257M95.2Very high92.8Very high44 Ų4452 Ų5222%0.21724%0.242CC..Hα-helixtrans-61-46.5174.5178.9-73.8-65.400110.9Y233 Q253 C254 K259 K260 N261 Y262Y233-M257 HydrophobicContact CE1-CE 3.83Å; Y233-M257 HydrophobicContact CE2-CE 4.09Å; Y233-M257 VanDerWaalsContact CZ-CE 3.47Å; Y233-M257 VanDerWaalsContact OH-CE 3.27Å; Y233-M257 WeakPolarHBondContact OH-CE 3.17Å; Q253-M257 WeakPolarHBondContact O-CB 3.3Å; Q253-M257 PolarHBondContact O-N 2.98Å; C254-M257 WeakPolarHBondContact O-CB 3.4Å; C254-M257 PolarHBondContact O-N 2.95Å; M257-K259 PolarHBondContact O-N 2.88Å; M257-K260 PolarHBondContact O-N 3.32Å; M257-N261 WeakPolarHBondContact CG-ND2 3.48Å; M257-N261 VanDerWaalsContact O-CB 3.29Å; M257-N261 WeakPolarHBondContact O-CB 2.93Å; M257-N261 PolarHBondContact O-N 3.26Å; M257-N261 PolarHBondContact O-ND2 3.3Å; M257-N261 HydrophobicContact SD-CB 4.46Å; M257-N261 PolarHBondContact SD-ND2 2.97Å; M257-N261 VanDerWaalsContact SD-ND2 3.43Å; M257-Y262 HydrophobicContact CE-CE2 4.45Å; M257-Y262 HydrophobicContact SD-CE2 3.74Å
258L95.6Very high93.6Very high0 Ų050.9 Ų50.90%023%0.233CC..Hα-helixtrans-59.4-49.3177.8-66.7175.1000110.5V205 M207 Y233 C254 E255 K260 N261 Y262 L289V205-L258 HydrophobicContact CB-CD2 4.31Å; V205-L258 HydrophobicContact CG1-CD2 3.91Å; V205-L258 HydrophobicContact CG2-CD2 3.61Å; M207-L258 HydrophobicContact CE-CD1 4.44Å; M207-L258 HydrophobicContact CG-CD1 4.12Å; M207-L258 HydrophobicContact SD-CD1 3.94Å; M207-L258 HydrophobicContact SD-CD2 4.4Å; Y233-L258 HydrophobicContact CE2-CD2 4.45Å; C254-L258 VanDerWaalsContact O-CG 3.25Å; C254-L258 WeakPolarHBondContact O-CG 3.42Å; C254-L258 PolarHBondContact O-N 2.63Å; E255-L258 PolarHBondContact O-N 3.05Å; L258-K260 VanDerWaalsContact C-N 3.32Å; L258-K260 PolarHBondContact O-N 3.27Å; L258-N261 PolarHBondContact O-N 3.2Å; L258-Y262 HydrophobicContact CD2-CD2 3.93Å; L258-Y262 HydrophobicContact CD2-CE2 3.84Å; L258-Y262 PolarHBondContact O-N 2.77Å; L258-Y262 VanDerWaalsContact O-N 3.08Å; L258-L289 HydrophobicContact CB-CD2 4.34Å
259K94.7Very high94.5Very high84 Ų8446.3 Ų46.337%0.36522%0.215SC..Hα-helixtrans-56.6-42.8177.3177.8174.2-179-179.30113K200 E255 Q256 M257 L289K200-K259 PolarHBondContact NZ-O 2.83Å; E255-K259 WeakPolarHBondContact O-CB 3.33Å; E255-K259 PolarHBondContact O-N 2.86Å; Q256-K259 PolarHBondContact O-N 2.83Å; M257-K259 PolarHBondContact O-N 2.88Å; K259-L289 HydrophobicContact CB-CD1 4.33Å
260K95.1Very high95.1Very high153 Ų15342.2 Ų42.267%0.66520%0.195SC*.Hα-helixtrans-72-38.6-179.7-174.5177.2177.1-179.60112.4Q256 M257 L258Q256-K260 WeakPolarHBondContact O-CB 3.45Å; Q256-K260 PolarHBondContact O-N 2.92Å; M257-K260 PolarHBondContact O-N 3.32Å; L258-K260 VanDerWaalsContact C-N 3.32Å; L258-K260 PolarHBondContact O-N 3.27Å
261N96.7Very high95.7Very high37 Ų3737.3 Ų37.320%0.19817%0.174CC..Hα-helixtrans-98.8-34.4-162.2-67.3-29.7000115P201 K202 M257 L258P201-N261 WeakPolarHBondContact CD-O 3.37Å; K202-N261 WeakPolarHBondContact CA-O 3.02Å; K202-N261 WeakPolarHBondContact CB-O 3.25Å; K202-N261 HydrophobicContact CD-CB 4.4Å; K202-N261 PolarHBondContact N-O 2.74Å; M257-N261 WeakPolarHBondContact CG-ND2 3.48Å; M257-N261 VanDerWaalsContact O-CB 3.29Å; M257-N261 WeakPolarHBondContact O-CB 2.93Å; M257-N261 PolarHBondContact O-N 3.26Å; M257-N261 PolarHBondContact O-ND2 3.3Å; M257-N261 HydrophobicContact SD-CB 4.46Å; M257-N261 PolarHBondContact SD-ND2 2.97Å; M257-N261 VanDerWaalsContact SD-ND2 3.43Å; L258-N261 PolarHBondContact O-N 3.2Å
262Y97.7Very high96.2Very high1 Ų131.5 Ų31.50%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-108.1150.1-167.5-60.9-86.7000113.6K200 K202 V205 D231 Y233 M257 L258K200-Y262 VanDerWaalsContact CD-O 3.32Å; K200-Y262 WeakPolarHBondContact CD-O 3.38Å; K200-Y262 PolarHBondContact NZ-O 3.24Å; K202-Y262 HydrophobicContact CB-CD1 3.46Å; K202-Y262 VanDerWaalsContact CB-CD1 3.46Å; K202-Y262 HydrophobicContact CB-CE1 3.58Å; K202-Y262 HydrophobicContact CB-CG 4.21Å; K202-Y262 HydrophobicContact CD-CD1 4.12Å; K202-Y262 HydrophobicContact CD-CE1 3.38Å; K202-Y262 HydrophobicContact CD-CE2 4.3Å; K202-Y262 VanDerWaalsContact CD-CZ 3.5Å; K202-Y262 HydrophobicContact CG-CD1 4.46Å; K202-Y262 HydrophobicContact CG-CE1 4.15Å; K202-Y262 PolarHBondContact NZ-OH 3.15Å; K202-Y262 WeakPolarHBondContact O-CA 3.18Å; V205-Y262 HydrophobicContact CB-CD1 3.56Å; V205-Y262 HydrophobicContact CB-CD2 3.91Å; V205-Y262 HydrophobicContact CB-CE1 3.72Å; V205-Y262 HydrophobicContact CB-CE2 4.07Å; V205-Y262 HydrophobicContact CB-CG 3.64Å; V205-Y262 HydrophobicContact CG1-CD1 4.05Å; V205-Y262 HydrophobicContact CG1-CD2 3.84Å; V205-Y262 HydrophobicContact CG1-CE2 4.41Å; V205-Y262 HydrophobicContact CG1-CG 3.62Å; V205-Y262 HydrophobicContact CG2-CD1 4.44Å; V205-Y262 HydrophobicContact CG2-CD2 4.29Å; V205-Y262 HydrophobicContact CG2-CE1 4.17Å; V205-Y262 HydrophobicContact CG2-CE2 4.03Å; V205-Y262 HydrophobicContact CG2-CG 4.48Å; D231-Y262 HydrophobicContact CB-CE1 3.73Å; D231-Y262 WeakPolarHBondContact CB-OH 3.24Å; D231-Y262 WeakPolarHBondContact OD2-CE1 3.18Å; D231-Y262 PolarHBondContact OD2-OH 3.43Å; Y233-Y262 HydrophobicContact CE2-CE2 4.47Å; Y233-Y262 PolarHBondContact OH-OH 2.91Å; M257-Y262 HydrophobicContact CE-CE2 4.45Å; M257-Y262 HydrophobicContact SD-CE2 3.74Å; L258-Y262 HydrophobicContact CD2-CD2 3.93Å; L258-Y262 HydrophobicContact CD2-CE2 3.84Å; L258-Y262 PolarHBondContact O-N 2.77Å; L258-Y262 VanDerWaalsContact O-N 3.08Å
263K97.4Very high96.5Very high14 Ų1431.3 Ų31.36%0.06115%0.146CC..EExtended strand (participates in β ladder)trans-90.7-40.6175.1-73.1174-179.3-87.80112.7A197 K200 K202 N203 L289 V290 S328 Y334A197-K263 PolarHBondContact O-NZ 2.88Å; K200-K263 HydrophobicContact CB-CG 3.83Å; K200-K263 HydrophobicContact CD-CG 4.29Å; K200-K263 VanDerWaalsContact O-CE 3.26Å; K200-K263 WeakPolarHBondContact O-CE 3.42Å; K202-K263 PolarHBondContact O-N 2.92Å; K202-K263 VanDerWaalsContact O-N 3.08Å; N203-K263 PolarHBondContact O-N 3.12Å; K263-L289 CarbonylContact O-C 3.55Å; K263-L289 WeakPolarHBondContact O-CA 3.48Å; K263-V290 PolarHBondContact O-N 2.93Å; K263-S328 VanDerWaalsContact CD-OG 3.25Å; K263-S328 WeakPolarHBondContact CD-OG 3.26Å; K263-Y334 WeakPolarHBondContact CA-OH 3.36Å; K263-Y334 HydrophobicContact CB-CE2 3.58Å; K263-Y334 WeakPolarHBondContact CB-OH 3.4Å; K263-Y334 HydrophobicContact CD-CE2 4.39Å; K263-Y334 HydrophobicContact CG-CE1 4.37Å; K263-Y334 HydrophobicContact CG-CE2 3.96Å; K263-Y334 PolarHBondContact O-OH 2.99Å
264F98.4Very high96.8Very high0 Ų025.7 Ų25.70%012%0.119CC..EExtended strand (participates in β ladder)trans-122.4138.8-174.7-52.2-73.8000111N203 A204 V205 V290 V292 I309 L324 L327 S328 Y334N203-F264 PolarHBondContact O-N 3.14Å; A204-F264 WeakPolarHBondContact CA-O 3.41Å; A204-F264 HydrophobicContact CB-CB 4.09Å; V205-F264 PolarHBondContact N-O 3.23Å; F264-V290 WeakPolarHBondContact CA-O 3.49Å; F264-V290 HydrophobicContact CD1-CB 3.88Å; F264-V290 HydrophobicContact CD1-CG2 4.01Å; F264-V290 HydrophobicContact CE1-CB 4.28Å; F264-V290 HydrophobicContact CE1-CG2 3.95Å; F264-V292 HydrophobicContact CB-CG2 4.04Å; F264-V292 HydrophobicContact CD1-CG2 4.42Å; F264-I309 HydrophobicContact CD1-CD1 4.26Å; F264-I309 HydrophobicContact CE1-CD1 4.06Å; F264-L324 HydrophobicContact CD1-CD2 3.62Å; F264-L324 HydrophobicContact CD2-CB 4.25Å; F264-L324 HydrophobicContact CD2-CD2 4.19Å; F264-L324 HydrophobicContact CE1-CD2 3.7Å; F264-L324 HydrophobicContact CE2-CB 4.05Å; F264-L324 HydrophobicContact CE2-CD2 4.23Å; F264-L324 WeakPolarHBondContact CE2-O 3.41Å; F264-L324 HydrophobicContact CG-CD2 3.91Å; F264-L324 HydrophobicContact CZ-CB 4.42Å; F264-L324 HydrophobicContact CZ-CD2 4.03Å; F264-L327 HydrophobicContact CE1-CB 4.28Å; F264-L327 HydrophobicContact CE1-CD1 3.96Å; F264-L327 HydrophobicContact CZ-CB 3.68Å; F264-L327 HydrophobicContact CZ-CD1 4.18Å; F264-S328 WeakPolarHBondContact CE2-OG 3.49Å; F264-Y334 HydrophobicContact CD1-CE2 4.43Å; F264-Y334 AromaticContact CE1-CD2 3.98Å; F264-Y334 HydrophobicContact CE1-CD2 3.98Å; F264-Y334 AromaticContact CE1-CE2 3.73Å; F264-Y334 HydrophobicContact CE1-CE2 3.73Å; F264-Y334 HydrophobicContact CE2-CE2 4.49Å; F264-Y334 AromaticContact CZ-CD2 3.85Å; F264-Y334 HydrophobicContact CZ-CD2 3.85Å; F264-Y334 AromaticContact CZ-CE2 3.75Å; F264-Y334 HydrophobicContact CZ-CE2 3.75Å
265Y98.2Very high96.9Very high8 Ų825.6 Ų25.63%0.03112%0.118CC..EExtended strand (participates in β ladder)trans-115.6119.4173-179.9-94.5000109.3V205 M207 A267 K280 R284 V290 P291 V292V205-Y265 HydrophobicContact CG1-CD2 3.9Å; M207-Y265 HydrophobicContact CB-CE2 4.18Å; M207-Y265 HydrophobicContact CG-CE2 3.68Å; Y265-A267 HydrophobicContact CD1-CB 3.87Å; Y265-A267 HydrophobicContact CE1-CB 3.93Å; Y265-A267 PolarHBondContact O-N 3.26Å; Y265-K280 HydrophobicContact CE1-CB 4.32Å; Y265-K280 WeakPolarHBondContact CE1-O 3.26Å; Y265-R284 PolarHBondContact OH-NH1 2.84Å; Y265-V290 PolarHBondContact N-O 3.48Å; Y265-P291 WeakPolarHBondContact O-CA 3.47Å; Y265-V292 PolarHBondContact O-N 3.34Å
266L98.6Very high97.2Very high1 Ų125.2 Ų25.21%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-75.993.3177.1-54-170.1000109.3A204 V205 W206 V221 L224 V230 F268 V292A204-L266 HydrophobicContact CB-CD2 4.41Å; V205-L266 PolarHBondContact O-N 3.26Å; W206-L266 HydrophobicContact CB-CB 4.03Å; W206-L266 HydrophobicContact CB-CD1 4.15Å; W206-L266 HydrophobicContact CB-CG 4.35Å; W206-L266 VanDerWaalsContact CD1-O 3.26Å; W206-L266 HydrophobicContact CG-CB 4.24Å; V221-L266 HydrophobicContact CG1-CD1 4.4Å; V221-L266 HydrophobicContact CG2-CD1 3.99Å; L224-L266 HydrophobicContact CD2-CD1 3.81Å; L224-L266 HydrophobicContact CD2-CD2 4.27Å; V230-L266 HydrophobicContact CG1-CD1 3.73Å; L266-F268 HydrophobicContact CB-CD2 4.31Å; L266-F268 HydrophobicContact CB-CE2 4.26Å; L266-F268 HydrophobicContact CB-CZ 4.43Å; L266-F268 HydrophobicContact CD1-CE2 4.12Å; L266-F268 HydrophobicContact CD2-CZ 4.19Å; L266-F268 PolarHBondContact O-N 2.89Å; L266-F268 VanDerWaalsContact O-N 3.11Å; L266-V292 HydrophobicContact CD2-CB 3.74Å; L266-V292 HydrophobicContact CD2-CG1 4.2Å; L266-V292 HydrophobicContact CD2-CG2 3.95Å
267A98Very high97.3Very high2 Ų221.4 Ų21.42%0.01710%0.098CC..  trans-85.242.617900000111.9Y265 E269 K280 V281 P291 V292 V293Y265-A267 HydrophobicContact CD1-CB 3.87Å; Y265-A267 HydrophobicContact CE1-CB 3.93Å; Y265-A267 PolarHBondContact O-N 3.26Å; A267-E269 PolarHBondContact O-N 3.03Å; A267-K280 HydrophobicContact CB-CB 4.28Å; A267-V281 HydrophobicContact CB-CG2 3.78Å; A267-P291 HydrophobicContact CB-CB 4.26Å; A267-V292 PolarHBondContact N-O 3.01Å; A267-V293 HydrophobicContact CB-CG1 4.35Å
268F98.3Very high97.4Very high0 Ų019.3 Ų19.30%09%0.088CC..  trans-73.9125.3-178.5-60.3-19.4000111R217 Y220 V221 L266 V292 F294 A311R217-F268 HydrophobicContact CB-CB 3.88Å; R217-F268 HydrophobicContact CB-CD2 4.42Å; R217-F268 VanDerWaalsContact CD-O 3.31Å; R217-F268 WeakPolarHBondContact CD-O 3.49Å; R217-F268 PolarHBondContact NH1-O 3.31Å; Y220-F268 AromaticContact CD1-CE2 3.77Å; Y220-F268 HydrophobicContact CD1-CE2 3.77Å; Y220-F268 HydrophobicContact CD1-CZ 4.17Å; Y220-F268 HydrophobicContact CE1-CE2 4.18Å; Y220-F268 HydrophobicContact CE1-CZ 4.12Å; V221-F268 HydrophobicContact CG2-CD2 3.78Å; V221-F268 HydrophobicContact CG2-CE2 3.89Å; L266-F268 HydrophobicContact CB-CD2 4.31Å; L266-F268 HydrophobicContact CB-CE2 4.26Å; L266-F268 HydrophobicContact CB-CZ 4.43Å; L266-F268 HydrophobicContact CD1-CE2 4.12Å; L266-F268 HydrophobicContact CD2-CZ 4.19Å; L266-F268 PolarHBondContact O-N 2.89Å; L266-F268 VanDerWaalsContact O-N 3.11Å; F268-V292 WeakPolarHBondContact CD1-O 3.46Å; F268-V292 HydrophobicContact CE1-CB 4.36Å; F268-V292 HydrophobicContact CE1-CG1 3.93Å; F268-V292 WeakPolarHBondContact CE1-O 3.33Å; F268-V292 HydrophobicContact CZ-CG1 4.19Å; F268-F294 HydrophobicContact CB-CD1 4.42Å; F268-F294 HydrophobicContact CB-CD2 4.3Å; F268-F294 HydrophobicContact CB-CG 4.19Å; F268-F294 HydrophobicContact CD1-CB 3.94Å; F268-F294 AromaticContact CD1-CD2 3.48Å; F268-F294 HydrophobicContact CD1-CD2 3.48Å; F268-F294 VanDerWaalsContact CD1-CD2 3.48Å; F268-F294 HydrophobicContact CD1-CE2 4.24Å; F268-F294 AromaticContact CD1-CG 3.87Å; F268-F294 HydrophobicContact CD1-CG 3.87Å; F268-F294 AromaticContact CD2-CD2 3.86Å; F268-F294 HydrophobicContact CD2-CD2 3.86Å; F268-F294 AromaticContact CD2-CE2 3.77Å; F268-F294 HydrophobicContact CD2-CE2 3.77Å; F268-F294 HydrophobicContact CD2-CZ 4.38Å; F268-F294 AromaticContact CE1-CD2 3.6Å; F268-F294 HydrophobicContact CE1-CD2 3.6Å; F268-F294 HydrophobicContact CE1-CE2 4.27Å; F268-F294 HydrophobicContact CE1-CG 4.38Å; F268-F294 AromaticContact CE2-CD2 3.98Å; F268-F294 HydrophobicContact CE2-CD2 3.98Å; F268-F294 AromaticContact CE2-CE2 3.81Å; F268-F294 HydrophobicContact CE2-CE2 3.81Å; F268-F294 HydrophobicContact CG-CB 4.4Å; F268-F294 AromaticContact CG-CD2 3.61Å; F268-F294 HydrophobicContact CG-CD2 3.61Å; F268-F294 HydrophobicContact CG-CE2 4Å; F268-F294 AromaticContact CG-CG 3.97Å; F268-F294 HydrophobicContact CG-CG 3.97Å; F268-F294 AromaticContact CZ-CD2 3.85Å; F268-F294 HydrophobicContact CZ-CD2 3.85Å; F268-F294 HydrophobicContact CZ-CE2 4.06Å; F268-A311 HydrophobicContact CE1-CB 4.21Å; F268-A311 HydrophobicContact CZ-CB 4.28Å
269E97.9Very high97.3Very high15 Ų1522.2 Ų22.27%0.0710%0.102CC..  trans-77.4149.8-179.3-65.2-62.7173.300112.7S215 R217 A267 S271 F276 T278 K280S215-E269 WeakPolarHBondContact CB-O 3.41Å; S215-E269 PolarHBondContact OG-O 3.49Å; R217-E269 WeakPolarHBondContact CD-O 3.23Å; A267-E269 PolarHBondContact O-N 3.03Å; E269-S271 WeakPolarHBondContact CB-O 3.23Å; E269-S271 PolarHBondContact O-N 3.11Å; E269-F276 HydrophobicContact CB-CD1 4.11Å; E269-F276 HydrophobicContact CB-CE1 4.33Å; E269-F276 HydrophobicContact CG-CD1 4.31Å; E269-T278 VanDerWaalsContact OE1-CB 3.28Å; E269-T278 WeakPolarHBondContact OE1-CB 3.23Å; E269-T278 WeakPolarHBondContact OE1-CG2 3.45Å; E269-T278 PolarHBondContact OE1-N 2.92Å; E269-T278 PolarHBondContact OE1-OG1 2.97Å; E269-T278 VanDerWaalsContact OE2-CG2 3.27Å; E269-T278 WeakPolarHBondContact OE2-CG2 3.48Å; E269-T278 PolarHBondContact OE2-OG1 3.24Å; E269-K280 WeakPolarHBondContact OE2-CD 3.39Å; E269-K280 WeakPolarHBondContact OE2-CE 3.45Å; E269-K280 IonicContact OE2-NZ 2.82Å; E269-K280 PolarHBondContact OE2-NZ 3.18Å
270N97.7Very high97.3Very high12 Ų1219.2 Ų19.26%0.0649%0.089CC..SBendtrans-62.9-23.2177.267.222.7000112.2F210 T213 P214 S215 F276F210-N270 HydrophobicContact CD1-CB 3.78Å; F210-N270 HydrophobicContact CE1-CB 4.11Å; T213-N270 WeakPolarHBondContact CB-O 3.15Å; T213-N270 HydrophobicContact CG2-CB 3.94Å; P214-N270 WeakPolarHBondContact CD-O 3.42Å; S215-N270 WeakPolarHBondContact CB-O 3.42Å; S215-N270 PolarHBondContact N-O 2.97Å; S215-N270 PolarHBondContact OG-O 2.79Å; S215-N270 VanDerWaalsContact OG-O 3.06Å; N270-F276 WeakPolarHBondContact OD1-CE1 3.02Å
271S98.3Very high97.4Very high0 Ų012.1 Ų12.10%06%0.058CC..SBendtrans-138.2132-177.2-620000108.5S143 H145 E269 C273 F276S143-S271 VanDerWaalsContact CB-CB 3.47Å; S143-S271 VanDerWaalsContact OG-CB 3.24Å; S143-S271 WeakPolarHBondContact OG-CB 3.36Å; S143-S271 PolarHBondContact OG-OG 3.16Å; H145-S271 PolarHBondContact ND1-OG 3.41Å; E269-S271 WeakPolarHBondContact CB-O 3.23Å; E269-S271 PolarHBondContact O-N 3.11Å; S271-C273 PolarHBondContact O-N 3.21Å; S271-F276 WeakPolarHBondContact O-CD1 3.47Å
272V98.3Very high97.3Very high5 Ų510.6 Ų10.63%0.035%0.05CC..BIsolated β-bridgetrans-96.586.2176.9-176.20000107.5F294 K295 C392 I393 Y396V272-F294 HydrophobicContact CG2-CD1 3.75Å; V272-F294 HydrophobicContact CG2-CE1 4.47Å; V272-K295 HydrophobicContact CG1-CB 3.94Å; V272-K295 HydrophobicContact CG1-CD 3.71Å; V272-K295 HydrophobicContact CG1-CG 4.46Å; V272-C392 CarbonylContact O-C 3.6Å; V272-C392 VanDerWaalsContact O-CA 3.23Å; V272-C392 WeakPolarHBondContact O-CA 3.3Å; V272-I393 HydrophobicContact CG1-CD1 4.42Å; V272-I393 PolarHBondContact O-N 2.83Å; V272-Y396 HydrophobicContact CB-CD1 4.24Å; V272-Y396 HydrophobicContact CB-CG 4.3Å; V272-Y396 HydrophobicContact CG1-CD1 3.96Å; V272-Y396 HydrophobicContact CG1-CE1 4.13Å; V272-Y396 HydrophobicContact CG1-CG 4.19Å; V272-Y396 HydrophobicContact CG2-CD1 3.64Å; V272-Y396 HydrophobicContact CG2-CE1 4.45Å; V272-Y396 HydrophobicContact CG2-CG 3.99Å
273C98.2Very high97Very high1 Ų111.9 Ų11.91%0.0076%0.057CC..  trans-127.7155.5-175.7-57.70000110.4S271 D275 F276 H298 C392S271-C273 PolarHBondContact O-N 3.21Å; C273-D275 PolarHBondContact O-N 3.15Å; C273-F276 HydrophobicContact CB-CB 4.15Å; C273-F276 PolarHBondContact O-N 2.79Å; C273-H298 PolarHBondContact O-CE1 3.28Å; C273-H298 VanDerWaalsContact O-CE1 3.31Å; C273-H298 PolarHBondContact O-ND1 2.73Å; C273-C392 HydrophobicContact CB-CB 4.13Å; C273-C392 WeakPolarHBondContact CB-SG 3.26Å; C273-C392 WeakPolarHBondContact SG-CB 3.39Å; C273-C392 CovalentContact SG-SG 2.03Å; C273-C392 PolarHBondContact SG-SG 2.98Å
274K97.4Very high96.7Very high50 Ų5011.7 Ų11.722%0.2176%0.056CC..THydrogen-bonded Turntrans-48.5132.4177.3180-178.4-162.71550111.4Y166 F276 S390 E391Y166-K274 WeakPolarHBondContact CE2-O 3.46Å; K274-F276 PolarHBondContact O-N 3.1Å; K274-S390 VanDerWaalsContact CB-O 3.25Å; K274-S390 WeakPolarHBondContact CB-O 3.45Å; K274-S390 PolarHBondContact N-O 2.79Å; K274-E391 HydrophobicContact CB-CB 4.15Å; K274-E391 HydrophobicContact CD-CG 4.49Å; K274-E391 WeakPolarHBondContact CD-OE1 3.37Å; K274-E391 WeakPolarHBondContact CE-OE1 3.11Å; K274-E391 IonicContact NZ-OE1 3.02Å; K274-E391 PolarHBondContact NZ-OE1 3.42Å
275D96.9Very high96.5Very high8 Ų811.8 Ų11.84%0.0436%0.056CC..THydrogen-bonded Turntrans56.82177.7-56.8-29.6000116Y166 R168 C273 V277Y166-D275 HydrophobicContact CD2-CB 4.46Å; Y166-D275 WeakPolarHBondContact CD2-O 3.38Å; R168-D275 WeakPolarHBondContact CB-OD2 3.18Å; R168-D275 IonicContact CZ-OD1 3.69Å; R168-D275 VanDerWaalsContact CZ-OD1 3.31Å; R168-D275 PolarHBondContact N-OD2 3.08Å; R168-D275 IonicContact NE-OD1 3.65Å; R168-D275 PolarHBondContact NE-OD1 3.49Å; R168-D275 IonicContact NE-OD2 2.73Å; R168-D275 PolarHBondContact NE-OD2 3.26Å; R168-D275 IonicContact NH2-OD1 3.82Å; R168-D275 PolarHBondContact NH2-OD1 3.44Å; C273-D275 PolarHBondContact O-N 3.15Å; D275-V277 PolarHBondContact O-N 3.46Å
276F98Very high96.2Very high7 Ų713.6 Ų13.63%0.0317%0.066CC..  trans-7889.6-176.7-169.4-117.8000110.6Y166 F176 E269 N270 S271 C273 K274 T278Y166-F276 AromaticContact CD1-CD2 3.73Å; Y166-F276 HydrophobicContact CD1-CD2 3.73Å; Y166-F276 HydrophobicContact CD1-CE2 4.09Å; Y166-F276 HydrophobicContact CD2-CB 4.14Å; Y166-F276 AromaticContact CD2-CD2 3.86Å; Y166-F276 HydrophobicContact CD2-CD2 3.86Å; Y166-F276 AromaticContact CE1-CD2 3.42Å; Y166-F276 HydrophobicContact CE1-CD2 3.42Å; Y166-F276 VanDerWaalsContact CE1-CD2 3.42Å; Y166-F276 AromaticContact CE1-CE2 3.87Å; Y166-F276 HydrophobicContact CE1-CE2 3.87Å; Y166-F276 HydrophobicContact CE1-CG 4.46Å; Y166-F276 VanDerWaalsContact CE2-CA 3.48Å; Y166-F276 HydrophobicContact CE2-CB 3.53Å; Y166-F276 AromaticContact CE2-CD2 3.6Å; Y166-F276 HydrophobicContact CE2-CD2 3.6Å; Y166-F276 HydrophobicContact CE2-CG 4.04Å; Y166-F276 AromaticContact CG-CD2 3.95Å; Y166-F276 HydrophobicContact CG-CD2 3.95Å; Y166-F276 AromaticContact CZ-CD2 3.36Å; Y166-F276 AromaticContact CZ-CG 3.99Å; F176-F276 HydrophobicContact CE2-CE2 4.23Å; E269-F276 HydrophobicContact CB-CD1 4.11Å; E269-F276 HydrophobicContact CB-CE1 4.33Å; E269-F276 HydrophobicContact CG-CD1 4.31Å; N270-F276 WeakPolarHBondContact OD1-CE1 3.02Å; S271-F276 WeakPolarHBondContact O-CD1 3.47Å; C273-F276 HydrophobicContact CB-CB 4.15Å; C273-F276 PolarHBondContact O-N 2.79Å; K274-F276 PolarHBondContact O-N 3.1Å; F276-T278 HydrophobicContact CD1-CG2 4.21Å; F276-T278 HydrophobicContact CD2-CG2 4.12Å; F276-T278 HydrophobicContact CE1-CG2 3.78Å; F276-T278 HydrophobicContact CE2-CG2 3.71Å; F276-T278 HydrophobicContact CG-CG2 4.39Å; F276-T278 HydrophobicContact CZ-CG2 3.53Å
277V97.3Very high95.9Very high7 Ų714.1 Ų14.14%0.0427%0.07CC..  trans-129.1117.7177.9-176.70000108.8D275 V281 F282 H298 V299 L302D275-V277 PolarHBondContact O-N 3.46Å; V277-V281 HydrophobicContact CG1-CB 4.09Å; V277-V281 HydrophobicContact CG1-CG2 3.71Å; V277-F282 HydrophobicContact CG1-CE2 3.94Å; V277-F282 HydrophobicContact CG1-CZ 4.18Å; V277-H298 WeakPolarHBondContact CG2-O 3.45Å; V277-V299 HydrophobicContact CG2-CB 4.48Å; V277-V299 HydrophobicContact CG2-CG2 3.78Å; V277-L302 HydrophobicContact CB-CD1 3.9Å; V277-L302 HydrophobicContact CG2-CD1 3.74Å
278T96.6Very high95.6Very high1 Ų115.8 Ų15.81%0.0068%0.077CC..  trans-111.5-170.8-161.772.80000113.2F176 E269 F276 K280 V281 F282F176-T278 HydrophobicContact CD2-CG2 4.08Å; F176-T278 HydrophobicContact CE2-CG2 3.83Å; F176-T278 HydrophobicContact CZ-CG2 4.11Å; E269-T278 VanDerWaalsContact OE1-CB 3.28Å; E269-T278 WeakPolarHBondContact OE1-CB 3.23Å; E269-T278 WeakPolarHBondContact OE1-CG2 3.45Å; E269-T278 PolarHBondContact OE1-N 2.92Å; E269-T278 PolarHBondContact OE1-OG1 2.97Å; E269-T278 VanDerWaalsContact OE2-CG2 3.27Å; E269-T278 WeakPolarHBondContact OE2-CG2 3.48Å; E269-T278 PolarHBondContact OE2-OG1 3.24Å; F276-T278 HydrophobicContact CD1-CG2 4.21Å; F276-T278 HydrophobicContact CD2-CG2 4.12Å; F276-T278 HydrophobicContact CE1-CG2 3.78Å; F276-T278 HydrophobicContact CE2-CG2 3.71Å; F276-T278 HydrophobicContact CG-CG2 4.39Å; F276-T278 HydrophobicContact CZ-CG2 3.53Å; T278-K280 PolarHBondContact O-N 3.3Å; T278-K280 PolarHBondContact OG1-N 3.21Å; T278-K280 PolarHBondContact OG1-NZ 2.91Å; T278-V281 PolarHBondContact O-N 3.11Å; T278-V281 VanDerWaalsContact O-N 3.12Å; T278-F282 WeakPolarHBondContact O-CD2 3.48Å
279E93.9Very high95.4Very high60 Ų6016 Ų1628%0.288%0.078SC..Hα-helixtrans-52.4-24174.477.5-68.2151.800113.3V281 F282 N283E279-V281 PolarHBondContact O-N 3.28Å; E279-F282 PolarHBondContact O-N 3.48Å; E279-N283 VanDerWaalsContact O-CB 3.28Å; E279-N283 WeakPolarHBondContact O-CB 3.42Å; E279-N283 PolarHBondContact O-N 2.78Å; E279-N283 PolarHBondContact O-OD1 3.48Å
280K94.7Very high95.4Very high22 Ų2215.3 Ų15.310%0.0968%0.075CC..Hα-helixtrans-56.3-38.9178.2-67.9170.5-15463.20111.7Y265 A267 E269 T278Y265-K280 HydrophobicContact CE1-CB 4.32Å; Y265-K280 WeakPolarHBondContact CE1-O 3.26Å; A267-K280 HydrophobicContact CB-CB 4.28Å; E269-K280 WeakPolarHBondContact OE2-CD 3.39Å; E269-K280 WeakPolarHBondContact OE2-CE 3.45Å; E269-K280 IonicContact OE2-NZ 2.82Å; E269-K280 PolarHBondContact OE2-NZ 3.18Å; T278-K280 PolarHBondContact O-N 3.3Å; T278-K280 PolarHBondContact OG1-N 3.21Å; T278-K280 PolarHBondContact OG1-NZ 2.91Å
281V96.2Very high95.4Very high3 Ų314.9 Ų14.92%0.0187%0.074CC..Hα-helixtrans-76.2-60172.2174.50000109.2A267 V277 T278 E279 N283 R284 F285 V293 L303A267-V281 HydrophobicContact CB-CG2 3.78Å; V277-V281 HydrophobicContact CG1-CB 4.09Å; V277-V281 HydrophobicContact CG1-CG2 3.71Å; T278-V281 PolarHBondContact O-N 3.11Å; T278-V281 VanDerWaalsContact O-N 3.12Å; E279-V281 PolarHBondContact O-N 3.28Å; V281-N283 PolarHBondContact O-N 3.16Å; V281-R284 PolarHBondContact O-N 3.28Å; V281-F285 HydrophobicContact CG1-CB 4.47Å; V281-F285 HydrophobicContact CG1-CD1 4.5Å; V281-F285 HydrophobicContact CG1-CD2 4.43Å; V281-F285 HydrophobicContact CG1-CG 4.26Å; V281-F285 WeakPolarHBondContact O-CB 3.3Å; V281-F285 PolarHBondContact O-N 3.48Å; V281-F285 VanDerWaalsContact O-N 3.14Å; V281-V293 HydrophobicContact CG2-CG1 4.17Å; V281-L303 HydrophobicContact CG1-CD1 3.75Å; V281-L303 HydrophobicContact CG1-CD2 4.13Å
282F95.2Very high95.4Very high5 Ų514.9 Ų14.92%0.0227%0.074CC..Hα-helixtrans-69.7-31.5-161.3-60.4-70.6000115F176 G177 V277 T278 E279 R284 F285 L303 V346 P348F176-F282 HydrophobicContact CB-CD2 4.17Å; F176-F282 HydrophobicContact CB-CE2 4.42Å; G177-F282 VanDerWaalsContact C-CE1 3.42Å; G177-F282 VanDerWaalsContact C-CZ 3.49Å; G177-F282 WeakPolarHBondContact O-CE1 3.35Å; G177-F282 WeakPolarHBondContact O-CE2 3.25Å; G177-F282 WeakPolarHBondContact O-CZ 3.41Å; V277-F282 HydrophobicContact CG1-CE2 3.94Å; V277-F282 HydrophobicContact CG1-CZ 4.18Å; T278-F282 WeakPolarHBondContact O-CD2 3.48Å; E279-F282 PolarHBondContact O-N 3.48Å; F282-R284 PolarHBondContact O-N 2.95Å; F282-R284 VanDerWaalsContact O-N 3.16Å; F282-F285 PolarHBondContact O-N 3.08Å; F282-L303 HydrophobicContact CE1-CD2 3.73Å; F282-L303 HydrophobicContact CZ-CD2 4.12Å; F282-V346 HydrophobicContact CD1-CG1 4.36Å; F282-P348 HydrophobicContact CB-CB 4.49Å
283N91.3Very high95.4Very high28 Ų2814.8 Ų14.815%0.157%0.073CC..THydrogen-bonded Turntrans-62.8-26.8-176.8-70.94000113.1E279 V281E279-N283 VanDerWaalsContact O-CB 3.28Å; E279-N283 WeakPolarHBondContact O-CB 3.42Å; E279-N283 PolarHBondContact O-N 2.78Å; E279-N283 PolarHBondContact O-OD1 3.48Å; V281-N283 PolarHBondContact O-N 3.16Å
284R91.3Very high95.4Very high10 Ų1015 Ų154%0.0387%0.074CC..THydrogen-bonded Turntrans-122.52.4-176.3-62.6167.7-166.482.7-0.2112.6E255 Y265 V281 F282 D286 S287E255-R284 VanDerWaalsContact CD-NH2 3.35Å; E255-R284 IonicContact OE1-CZ 2.65Å; E255-R284 VanDerWaalsContact OE1-CZ 3.29Å; E255-R284 IonicContact OE1-NE 3.2Å; E255-R284 IonicContact OE1-NH2 3.9Å; E255-R284 PolarHBondContact OE1-NH2 3.15Å; E255-R284 WeakPolarHBondContact OE2-CG 3.42Å; E255-R284 IonicContact OE2-CZ 2.78Å; E255-R284 VanDerWaalsContact OE2-CZ 3.24Å; E255-R284 IonicContact OE2-NE 2.72Å; E255-R284 PolarHBondContact OE2-NE 2.72Å; E255-R284 IonicContact OE2-NH2 2.83Å; E255-R284 PolarHBondContact OE2-NH2 2.03Å; Y265-R284 PolarHBondContact OH-NH1 2.84Å; V281-R284 PolarHBondContact O-N 3.28Å; F282-R284 PolarHBondContact O-N 2.95Å; F282-R284 VanDerWaalsContact O-N 3.16Å; R284-D286 PolarHBondContact O-N 3.18Å; R284-D286 VanDerWaalsContact O-N 3.11Å; R284-S287 WeakPolarHBondContact O-CB 3.41Å; R284-S287 PolarHBondContact O-N 3.1Å
285F94.7Very high95.4Very high3 Ų314.7 Ų14.71%0.0137%0.072CC..THydrogen-bonded Turntrans-64.6-24.3-171.9-165.1-149.2000111.9V179 V281 F282 P291 L303 S307 W340 K341 V346V179-F285 HydrophobicContact CG1-CD1 3.97Å; V179-F285 HydrophobicContact CG1-CE1 3.57Å; V281-F285 HydrophobicContact CG1-CB 4.47Å; V281-F285 HydrophobicContact CG1-CD1 4.5Å; V281-F285 HydrophobicContact CG1-CD2 4.43Å; V281-F285 HydrophobicContact CG1-CG 4.26Å; V281-F285 WeakPolarHBondContact O-CB 3.3Å; V281-F285 PolarHBondContact O-N 3.48Å; V281-F285 VanDerWaalsContact O-N 3.14Å; F282-F285 PolarHBondContact O-N 3.08Å; F285-P291 HydrophobicContact CD2-CG 3.74Å; F285-P291 HydrophobicContact CE2-CG 3.64Å; F285-L303 HydrophobicContact CD1-CD2 4.35Å; F285-L303 HydrophobicContact CE1-CB 4.43Å; F285-L303 HydrophobicContact CE1-CD1 4.29Å; F285-L303 HydrophobicContact CE1-CD2 3.71Å; F285-L303 HydrophobicContact CE1-CG 4.36Å; F285-L303 HydrophobicContact CE2-CD1 4.31Å; F285-L303 HydrophobicContact CZ-CB 4.15Å; F285-L303 HydrophobicContact CZ-CD1 3.88Å; F285-L303 HydrophobicContact CZ-CD2 4.11Å; F285-L303 HydrophobicContact CZ-CG 4.28Å; F285-S307 WeakPolarHBondContact CZ-OG 3.46Å; F285-W340 AromaticContact CD1-CH2 3.62Å; F285-W340 HydrophobicContact CD1-CH2 3.62Å; F285-W340 AromaticContact CD1-CZ2 3.98Å; F285-W340 HydrophobicContact CD1-CZ2 3.98Å; F285-W340 HydrophobicContact CD2-CH2 4.22Å; F285-W340 AromaticContact CD2-CZ2 3.76Å; F285-W340 HydrophobicContact CD2-CZ2 3.76Å; F285-W340 AromaticContact CE1-CH2 3.5Å; F285-W340 HydrophobicContact CE1-CH2 3.5Å; F285-W340 VanDerWaalsContact CE1-CH2 3.5Å; F285-W340 AromaticContact CE1-CZ2 3.7Å; F285-W340 HydrophobicContact CE1-CZ2 3.7Å; F285-W340 HydrophobicContact CE1-CZ3 4.2Å; F285-W340 HydrophobicContact CE2-CH2 4.12Å; F285-W340 AromaticContact CE2-CZ2 3.47Å; F285-W340 HydrophobicContact CE2-CZ2 3.47Å; F285-W340 VanDerWaalsContact CE2-CZ2 3.47Å; F285-W340 AromaticContact CG-CH2 3.98Å; F285-W340 HydrophobicContact CG-CH2 3.98Å; F285-W340 HydrophobicContact CG-CZ2 4Å; F285-W340 AromaticContact CZ-CE2 3.99Å; F285-W340 AromaticContact CZ-CH2 3.77Å; F285-W340 HydrophobicContact CZ-CH2 3.77Å; F285-W340 AromaticContact CZ-CZ2 3.45Å; F285-W340 HydrophobicContact CZ-CZ2 3.45Å; F285-W340 VanDerWaalsContact CZ-CZ2 3.45Å; F285-K341 PolarHBondContact O-NZ 2.93Å; F285-V346 HydrophobicContact CB-CG1 4.14Å; F285-V346 HydrophobicContact CB-CG2 3.96Å; F285-V346 HydrophobicContact CD1-CG1 4.33Å; F285-V346 HydrophobicContact CD1-CG2 3.65Å; F285-V346 HydrophobicContact CG-CG2 4.08Å
286D92.1Very high95.4Very high45 Ų4517.2 Ų17.224%0.2418%0.081CC..THydrogen-bonded Turntrans-82.3-12.9174.475.6-18.1000114.1K250 R284 H288 K341 V346K250-D286 WeakPolarHBondContact CE-OD2 3.41Å; K250-D286 IonicContact NZ-OD2 3.03Å; K250-D286 PolarHBondContact NZ-OD2 3.43Å; R284-D286 PolarHBondContact O-N 3.18Å; R284-D286 VanDerWaalsContact O-N 3.11Å; D286-H288 PolarHBondContact O-N 2.93Å; D286-K341 PolarHBondContact O-NZ 3.42Å; D286-V346 HydrophobicContact CB-CB 4.34Å; D286-V346 HydrophobicContact CB-CG2 4.09Å
287S91.7Very high95.4Very high13 Ų1319.9 Ų19.99%0.09110%0.1CC..THydrogen-bonded Turntrans-91.213.2-162.4-70.50000116R284 L289R284-S287 WeakPolarHBondContact O-CB 3.41Å; R284-S287 PolarHBondContact O-N 3.1Å; S287-L289 VanDerWaalsContact CB-CD1 3.5Å; S287-L289 WeakPolarHBondContact O-CD1 3.41Å; S287-L289 PolarHBondContact O-N 3.37Å
288H91.8Very high95.3Very high36 Ų3620.3 Ų20.317%0.16710%0.102CC..THydrogen-bonded Turntrans60.226.5-177.1-46.3117.7000114W193 I196 K200 D286 Y334 K341W193-H288 AromaticContact CH2-NE2 3.87Å; W193-H288 AromaticContact CZ3-CD2 3.52Å; W193-H288 AromaticContact CZ3-NE2 3.42Å; W193-H288 WeakPolarHBondContact CZ3-NE2 3.43Å; I196-H288 HydrophobicContact CG2-CB 3.67Å; K200-H288 WeakPolarHBondContact CE-O 3.36Å; K200-H288 PolarHBondContact NZ-O 2.74Å; K200-H288 VanDerWaalsContact NZ-O 3.16Å; D286-H288 PolarHBondContact O-N 2.93Å; H288-Y334 PolarHBondContact O-OH 2.95Å; H288-Y334 VanDerWaalsContact O-OH 3.1Å; H288-K341 VanDerWaalsContact CD2-CE 3.48Å; H288-K341 WeakPolarHBondContact CD2-CE 3.48Å
289L93.9Very high95.3Very high4 Ų420.6 Ų20.62%0.02110%0.104CC..PPolyproline II helixtrans-100.1126.1161.3-6076000106.4V205 L258 K259 K263 S287 P291V205-L289 HydrophobicContact CG1-CD2 4.46Å; L258-L289 HydrophobicContact CB-CD2 4.34Å; K259-L289 HydrophobicContact CB-CD1 4.33Å; K263-L289 CarbonylContact O-C 3.55Å; K263-L289 WeakPolarHBondContact O-CA 3.48Å; S287-L289 VanDerWaalsContact CB-CD1 3.5Å; S287-L289 WeakPolarHBondContact O-CD1 3.41Å; S287-L289 PolarHBondContact O-N 3.37Å; L289-P291 WeakPolarHBondContact O-CD 3.41Å
290V97.4Very high95.4Very high1 Ų122.6 Ų22.61%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-71.6125.9174.8-166.30000108.1K263 F264 Y265 V292 I309 Y334 Y337 Y338K263-V290 PolarHBondContact O-N 2.93Å; F264-V290 WeakPolarHBondContact CA-O 3.49Å; F264-V290 HydrophobicContact CD1-CB 3.88Å; F264-V290 HydrophobicContact CD1-CG2 4.01Å; F264-V290 HydrophobicContact CE1-CB 4.28Å; F264-V290 HydrophobicContact CE1-CG2 3.95Å; Y265-V290 PolarHBondContact N-O 3.48Å; V290-V292 PolarHBondContact O-N 3.36Å; V290-I309 HydrophobicContact CG1-CD1 3.99Å; V290-I309 HydrophobicContact CG1-CG1 3.98Å; V290-Y334 HydrophobicContact CG2-CD2 4.4Å; V290-Y334 HydrophobicContact CG2-CE2 3.92Å; V290-Y337 HydrophobicContact CG1-CD1 3.66Å; V290-Y337 HydrophobicContact CG1-CE1 4.32Å; V290-Y337 HydrophobicContact CG1-CG 3.88Å; V290-Y337 HydrophobicContact CG2-CD2 4.41Å; V290-Y337 HydrophobicContact CG2-CG 4.01Å; V290-Y338 HydrophobicContact CB-CE1 4.41Å; V290-Y338 HydrophobicContact CG2-CE1 3.48Å; V290-Y338 VanDerWaalsContact CG2-CE1 3.48Å; V290-Y338 WeakPolarHBondContact CG2-OH 3.41Å
291P98.4Very high95.4Very high4 Ų424.9 Ų24.93%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-69.7126.8168.928.9-32.3000109.6Y265 A267 F285 L289 V293 S307 F308 I309Y265-P291 WeakPolarHBondContact O-CA 3.47Å; A267-P291 HydrophobicContact CB-CB 4.26Å; F285-P291 HydrophobicContact CD2-CG 3.74Å; F285-P291 HydrophobicContact CE2-CG 3.64Å; L289-P291 WeakPolarHBondContact O-CD 3.41Å; P291-V293 HydrophobicContact CB-CG1 4.38Å; P291-S307 WeakPolarHBondContact CD-O 3.29Å; P291-F308 HydrophobicContact CG-CB 3.77Å; P291-F308 WeakPolarHBondContact O-CA 3.44Å; P291-I309 PolarHBondContact O-N 2.92Å
292V98.8Very high95.4Very high0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans-97.7111.3164.9-169.80000106.6F264 Y265 L266 A267 F268 V290 I309 L320 L324F264-V292 HydrophobicContact CB-CG2 4.04Å; F264-V292 HydrophobicContact CD1-CG2 4.42Å; Y265-V292 PolarHBondContact O-N 3.34Å; L266-V292 HydrophobicContact CD2-CB 3.74Å; L266-V292 HydrophobicContact CD2-CG1 4.2Å; L266-V292 HydrophobicContact CD2-CG2 3.95Å; A267-V292 PolarHBondContact N-O 3.01Å; F268-V292 WeakPolarHBondContact CD1-O 3.46Å; F268-V292 HydrophobicContact CE1-CB 4.36Å; F268-V292 HydrophobicContact CE1-CG1 3.93Å; F268-V292 WeakPolarHBondContact CE1-O 3.33Å; F268-V292 HydrophobicContact CZ-CG1 4.19Å; V290-V292 PolarHBondContact O-N 3.36Å; V292-I309 CarbonylContact C-O 3.5Å; V292-I309 VanDerWaalsContact CA-O 3.29Å; V292-I309 WeakPolarHBondContact CA-O 3.46Å; V292-I309 HydrophobicContact CG1-CB 4.49Å; V292-I309 HydrophobicContact CG1-CG2 4.34Å; V292-I309 HydrophobicContact CG2-CB 4.45Å; V292-L320 HydrophobicContact CG1-CD1 4.12Å; V292-L320 HydrophobicContact CG1-CD2 4.14Å; V292-L324 HydrophobicContact CG2-CD1 4.29Å; V292-L324 HydrophobicContact CG2-CD2 4.11Å
293V98.4Very high95.4Very high2 Ų226.9 Ų26.91%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-101.5160.7-177.4-55.50000110.4A267 V281 P291 V299 F308 I309 A310 A311A267-V293 HydrophobicContact CB-CG1 4.35Å; V281-V293 HydrophobicContact CG2-CG1 4.17Å; P291-V293 HydrophobicContact CB-CG1 4.38Å; V293-V299 HydrophobicContact CB-CG2 3.89Å; V293-V299 HydrophobicContact CG1-CG1 4.12Å; V293-V299 HydrophobicContact CG1-CG2 4.08Å; V293-V299 HydrophobicContact CG2-CB 4.12Å; V293-V299 HydrophobicContact CG2-CG1 4.3Å; V293-V299 HydrophobicContact CG2-CG2 3.82Å; V293-F308 HydrophobicContact CG2-CD2 3.52Å; V293-F308 HydrophobicContact CG2-CE2 3.85Å; V293-F308 HydrophobicContact CG2-CG 4.47Å; V293-I309 PolarHBondContact N-O 3.25Å; V293-A310 HydrophobicContact CG2-CB 3.95Å; V293-A310 CarbonylContact O-C 3.55Å; V293-A310 WeakPolarHBondContact O-CA 3.48Å; V293-A311 PolarHBondContact O-N 3.15Å
294F97.2Very high95.6Very high7 Ų726.2 Ų26.23%0.03114%0.138CC..SBendtrans-81.4-38.4-173.2-130-162.6000113.2R217 Y220 F268 V272 A311 Y396 M400R217-F294 HydrophobicContact CB-CD1 4.4Å; R217-F294 HydrophobicContact CB-CE1 3.74Å; R217-F294 HydrophobicContact CB-CZ 4.01Å; Y220-F294 AromaticContact CD1-CE2 3.69Å; Y220-F294 HydrophobicContact CD1-CE2 3.69Å; Y220-F294 HydrophobicContact CD1-CZ 4.39Å; Y220-F294 HydrophobicContact CD2-CE2 4.14Å; Y220-F294 HydrophobicContact CD2-CZ 4.44Å; Y220-F294 HydrophobicContact CE1-CE2 4.25Å; Y220-F294 AromaticContact CG-CE2 3.61Å; Y220-F294 HydrophobicContact CG-CE2 3.61Å; Y220-F294 AromaticContact CG-CZ 3.92Å; Y220-F294 HydrophobicContact CG-CZ 3.92Å; F268-F294 HydrophobicContact CB-CD1 4.42Å; F268-F294 HydrophobicContact CB-CD2 4.3Å; F268-F294 HydrophobicContact CB-CG 4.19Å; F268-F294 HydrophobicContact CD1-CB 3.94Å; F268-F294 AromaticContact CD1-CD2 3.48Å; F268-F294 HydrophobicContact CD1-CD2 3.48Å; F268-F294 VanDerWaalsContact CD1-CD2 3.48Å; F268-F294 HydrophobicContact CD1-CE2 4.24Å; F268-F294 AromaticContact CD1-CG 3.87Å; F268-F294 HydrophobicContact CD1-CG 3.87Å; F268-F294 AromaticContact CD2-CD2 3.86Å; F268-F294 HydrophobicContact CD2-CD2 3.86Å; F268-F294 AromaticContact CD2-CE2 3.77Å; F268-F294 HydrophobicContact CD2-CE2 3.77Å; F268-F294 HydrophobicContact CD2-CZ 4.38Å; F268-F294 AromaticContact CE1-CD2 3.6Å; F268-F294 HydrophobicContact CE1-CD2 3.6Å; F268-F294 HydrophobicContact CE1-CE2 4.27Å; F268-F294 HydrophobicContact CE1-CG 4.38Å; F268-F294 AromaticContact CE2-CD2 3.98Å; F268-F294 HydrophobicContact CE2-CD2 3.98Å; F268-F294 AromaticContact CE2-CE2 3.81Å; F268-F294 HydrophobicContact CE2-CE2 3.81Å; F268-F294 HydrophobicContact CG-CB 4.4Å; F268-F294 AromaticContact CG-CD2 3.61Å; F268-F294 HydrophobicContact CG-CD2 3.61Å; F268-F294 HydrophobicContact CG-CE2 4Å; F268-F294 AromaticContact CG-CG 3.97Å; F268-F294 HydrophobicContact CG-CG 3.97Å; F268-F294 AromaticContact CZ-CD2 3.85Å; F268-F294 HydrophobicContact CZ-CD2 3.85Å; F268-F294 HydrophobicContact CZ-CE2 4.06Å; V272-F294 HydrophobicContact CG2-CD1 3.75Å; V272-F294 HydrophobicContact CG2-CE1 4.47Å; F294-A311 HydrophobicContact CD2-CB 4.1Å; F294-Y396 AromaticContact CD1-CD1 3.77Å; F294-Y396 HydrophobicContact CD1-CD1 3.77Å; F294-Y396 HydrophobicContact CD1-CE1 4.42Å; F294-Y396 HydrophobicContact CE1-CD1 4.07Å; F294-Y396 HydrophobicContact CG-CD1 4.18Å; F294-Y396 HydrophobicContact CG-CE1 4.38Å; F294-M400 HydrophobicContact CD2-SD 4.16Å; F294-M400 HydrophobicContact CE2-SD 4.11Å; F294-M400 HydrophobicContact CZ-SD 4.45Å
295K97.8Very high95.8Very high43 Ų4335.6 Ų35.619%0.18718%0.179CC..  trans-135.8118.9-175.8-178.3158.5-175.259.50111.6V272 S297 H298 D312 I393 Y396V272-K295 HydrophobicContact CG1-CB 3.94Å; V272-K295 HydrophobicContact CG1-CD 3.71Å; V272-K295 HydrophobicContact CG1-CG 4.46Å; K295-S297 WeakPolarHBondContact CE-OG 3.46Å; K295-S297 PolarHBondContact O-N 2.88Å; K295-H298 PolarHBondContact O-N 2.87Å; K295-D312 WeakPolarHBondContact CA-OD1 3.41Å; K295-D312 IonicContact NZ-OD2 2.79Å; K295-I393 HydrophobicContact CD-CD1 3.98Å; K295-Y396 HydrophobicContact CB-CE1 4.12Å
296R97.7Very high95.8Very high61 Ų6137.3 Ų37.323%0.2320%0.197CC..Hα-helixtrans-55.5-51.5-178.2175.4164.7-70.5-71.7-8.8112.3H298 V299 E300 F308 A310 D312 D313R296-H298 PolarHBondContact O-N 2.96Å; R296-H298 VanDerWaalsContact O-N 3.08Å; R296-V299 PolarHBondContact O-N 2.97Å; R296-E300 HydrophobicContact CG-CB 4.16Å; R296-E300 IonicContact NH1-OE1 3.53Å; R296-E300 PolarHBondContact NH1-OE1 2.84Å; R296-E300 WeakPolarHBondContact O-CB 3.41Å; R296-E300 PolarHBondContact O-N 2.73Å; R296-F308 HydrophobicContact CG-CE2 4.46Å; R296-A310 HydrophobicContact CB-CB 3.61Å; R296-D312 PolarHBondContact N-OD1 2.84Å; R296-D312 PolarHBondContact N-OD2 2.92Å; R296-D313 WeakPolarHBondContact CD-OD1 3.26Å; R296-D313 IonicContact CZ-OD1 3.62Å; R296-D313 IonicContact CZ-OD2 2.73Å; R296-D313 VanDerWaalsContact CZ-OD2 3.31Å; R296-D313 IonicContact NE-OD1 2.8Å; R296-D313 PolarHBondContact NE-OD1 3.32Å; R296-D313 IonicContact NE-OD2 2.72Å; R296-D313 PolarHBondContact NE-OD2 2.9Å; R296-D313 VanDerWaalsContact NE-OD2 3.16Å; R296-D313 IonicContact NH2-OD1 2.6Å; R296-D313 IonicContact NH2-OD2 3.28Å; R296-D313 PolarHBondContact NH2-OD2 2.84Å
297S96.7Very high96.1Very high62 Ų6235.2 Ų35.243%0.43419%0.186SC..Hα-helixtrans-62.7-22.2-17064.20000114.5K295 P301K295-S297 WeakPolarHBondContact CE-OG 3.46Å; K295-S297 PolarHBondContact O-N 2.88Å; S297-P301 WeakPolarHBondContact O-CD 3.28Å
298H95.7Very high96.4Very high16 Ų1634.9 Ų34.97%0.07418%0.183CC..Hα-helixtrans-85-21.1177.1-62.5175.3000113C273 V277 K295 R296C273-H298 PolarHBondContact O-CE1 3.28Å; C273-H298 VanDerWaalsContact O-CE1 3.31Å; C273-H298 PolarHBondContact O-ND1 2.73Å; V277-H298 WeakPolarHBondContact CG2-O 3.45Å; K295-H298 PolarHBondContact O-N 2.87Å; R296-H298 PolarHBondContact O-N 2.96Å; R296-H298 VanDerWaalsContact O-N 3.08Å
299V96.3Very high96.7Very high8 Ų833.2 Ų33.25%0.04818%0.176CC..Hα-helixtrans-107.3-36.4-171.9-179.10000111.7V277 V293 R296 P301 L302 L303 F308V277-V299 HydrophobicContact CG2-CB 4.48Å; V277-V299 HydrophobicContact CG2-CG2 3.78Å; V293-V299 HydrophobicContact CB-CG2 3.89Å; V293-V299 HydrophobicContact CG1-CG1 4.12Å; V293-V299 HydrophobicContact CG1-CG2 4.08Å; V293-V299 HydrophobicContact CG2-CB 4.12Å; V293-V299 HydrophobicContact CG2-CG1 4.3Å; V293-V299 HydrophobicContact CG2-CG2 3.82Å; R296-V299 PolarHBondContact O-N 2.97Å; V299-P301 VanDerWaalsContact C-CD 3.41Å; V299-P301 VanDerWaalsContact C-N 3.32Å; V299-L302 PolarHBondContact O-N 3.49Å; V299-L303 HydrophobicContact CG1-CB 4.34Å; V299-L303 HydrophobicContact CG1-CD1 3.23Å; V299-L303 HydrophobicContact CG1-CG 3.58Å; V299-L303 PolarHBondContact O-N 2.92Å; V299-L303 VanDerWaalsContact O-N 3.16Å; V299-F308 HydrophobicContact CB-CE2 4.33Å; V299-F308 HydrophobicContact CB-CZ 4.26Å; V299-F308 HydrophobicContact CG1-CD1 4.12Å; V299-F308 HydrophobicContact CG1-CD2 4.33Å; V299-F308 HydrophobicContact CG1-CE1 4.05Å; V299-F308 HydrophobicContact CG1-CE2 4.25Å; V299-F308 HydrophobicContact CG1-CG 4.26Å; V299-F308 HydrophobicContact CG1-CZ 4.11Å
300E96.5Very high96.9Very high101 Ų10133 Ų3347%0.47218%0.175SC..THydrogen-bonded Turntrans-53-38.6-176.8-173.9166.3-109.700114.4R296 L302 F308R296-E300 HydrophobicContact CG-CB 4.16Å; R296-E300 IonicContact NH1-OE1 3.53Å; R296-E300 PolarHBondContact NH1-OE1 2.84Å; R296-E300 WeakPolarHBondContact O-CB 3.41Å; R296-E300 PolarHBondContact O-N 2.73Å; E300-L302 PolarHBondContact O-N 3.46Å; E300-F308 HydrophobicContact CB-CZ 3.98Å
301P95.1Very high97Very high70 Ų7033 Ų3346%0.45517%0.174SC..THydrogen-bonded Turntrans-69.5-15.5176.4-20.934.8000114.6R168 S297 V299R168-P301 VanDerWaalsContact NH1-CB 3.35Å; S297-P301 WeakPolarHBondContact O-CD 3.28Å; V299-P301 VanDerWaalsContact C-CD 3.41Å; V299-P301 VanDerWaalsContact C-N 3.32Å
302L94.6Very high96.9Very high41 Ų4135.1 Ų35.122%0.21519%0.186CC..THydrogen-bonded Turntrans-106.4-25-171.1-61.5175.6000113.2V277 V299 E300V277-L302 HydrophobicContact CB-CD1 3.9Å; V277-L302 HydrophobicContact CG2-CD1 3.74Å; V299-L302 PolarHBondContact O-N 3.49Å; E300-L302 PolarHBondContact O-N 3.46Å
303L95.9Very high96.9Very high10 Ų1038.8 Ų38.85%0.05221%0.205CC..SBendtrans-116.2153.1-174.4-53.8-170.8000112V281 F282 F285 V299 F308V281-L303 HydrophobicContact CG1-CD1 3.75Å; V281-L303 HydrophobicContact CG1-CD2 4.13Å; F282-L303 HydrophobicContact CE1-CD2 3.73Å; F282-L303 HydrophobicContact CZ-CD2 4.12Å; F285-L303 HydrophobicContact CD1-CD2 4.35Å; F285-L303 HydrophobicContact CE1-CB 4.43Å; F285-L303 HydrophobicContact CE1-CD1 4.29Å; F285-L303 HydrophobicContact CE1-CD2 3.71Å; F285-L303 HydrophobicContact CE1-CG 4.36Å; F285-L303 HydrophobicContact CE2-CD1 4.31Å; F285-L303 HydrophobicContact CZ-CB 4.15Å; F285-L303 HydrophobicContact CZ-CD1 3.88Å; F285-L303 HydrophobicContact CZ-CD2 4.11Å; F285-L303 HydrophobicContact CZ-CG 4.28Å; V299-L303 HydrophobicContact CG1-CB 4.34Å; V299-L303 HydrophobicContact CG1-CD1 3.23Å; V299-L303 HydrophobicContact CG1-CG 3.58Å; V299-L303 PolarHBondContact O-N 2.92Å; V299-L303 VanDerWaalsContact O-N 3.16Å; L303-F308 HydrophobicContact CB-CD1 3.89Å; L303-F308 HydrophobicContact CB-CE1 4.08Å; L303-F308 HydrophobicContact CD1-CB 4.36Å; L303-F308 HydrophobicContact CD1-CD1 3.89Å; L303-F308 HydrophobicContact CD1-CG 4.31Å; L303-F308 HydrophobicContact CG-CD1 4.45Å
304P96.5Very high96.9Very high13 Ų1340.5 Ų40.58%0.08421%0.213CC..  trans-59.7145.1178.2-22.735.1000112.1V179 G306 S307 W340 Y344V179-P304 HydrophobicContact CB-CG 4.4Å; V179-P304 HydrophobicContact CG1-CG 4.27Å; V179-P304 HydrophobicContact CG2-CG 3.97Å; P304-G306 PolarHBondContact O-N 3.05Å; P304-S307 WeakPolarHBondContact CD-OG 3.38Å; P304-S307 WeakPolarHBondContact O-CB 3.48Å; P304-S307 PolarHBondContact O-N 3.19Å; P304-S307 VanDerWaalsContact O-N 3.11Å; P304-S307 PolarHBondContact O-OG 2.81Å; P304-W340 HydrophobicContact CB-CB 3.99Å; P304-W340 HydrophobicContact CB-CD2 4.46Å; P304-W340 HydrophobicContact CB-CG 4.24Å; P304-W340 HydrophobicContact CG-CB 4.47Å; P304-W340 HydrophobicContact CG-CD2 4.12Å; P304-W340 HydrophobicContact CG-CE3 3.82Å; P304-W340 HydrophobicContact CG-CG 4.42Å; P304-W340 HydrophobicContact CG-CZ3 4.38Å; P304-Y344 HydrophobicContact CB-CD2 4.24Å; P304-Y344 HydrophobicContact CB-CE2 4.25Å; P304-Y344 HydrophobicContact CG-CD2 3.98Å; P304-Y344 HydrophobicContact CG-CE2 4.38Å; P304-Y344 HydrophobicContact CG-CG 4.24Å
305K94.9Very high96.8Very high207 Ų20748.8 Ų48.890%0.925%0.249SC*.THydrogen-bonded Turntrans-56.1133.6174.1-174176-179.2176.80110.6S307K305-S307 VanDerWaalsContact C-N 3.3Å; K305-S307 PolarHBondContact O-N 3.37Å
306G95Very high96.8Very high39 Ų3946.9 Ų46.940%0.40224%0.241SC..THydrogen-bonded Turntrans75.212.6-179.900000114.7P304 Y337P304-G306 PolarHBondContact O-N 3.05Å; G306-Y337 WeakPolarHBondContact O-CA 3.24Å; G306-Y337 VanDerWaalsContact O-CD1 3.23Å; G306-Y337 WeakPolarHBondContact O-CD1 3.47Å
307S97.5Very high96.8Very high1 Ų144 Ų441%0.00723%0.23CC..SBendtrans-91.9-9.9179.664.80000114.9F285 P291 P304 K305F285-S307 WeakPolarHBondContact CZ-OG 3.46Å; P291-S307 WeakPolarHBondContact CD-O 3.29Å; P304-S307 WeakPolarHBondContact CD-OG 3.38Å; P304-S307 WeakPolarHBondContact O-CB 3.48Å; P304-S307 PolarHBondContact O-N 3.19Å; P304-S307 VanDerWaalsContact O-N 3.11Å; P304-S307 PolarHBondContact O-OG 2.81Å; K305-S307 VanDerWaalsContact C-N 3.3Å; K305-S307 PolarHBondContact O-N 3.37Å
308F98Very high96.9Very high6 Ų645.4 Ų45.43%0.02623%0.229CC..  trans-146.1162.4-175.569-90.6000111.6P291 V293 R296 V299 E300 L303 A310P291-F308 HydrophobicContact CG-CB 3.77Å; P291-F308 WeakPolarHBondContact O-CA 3.44Å; V293-F308 HydrophobicContact CG2-CD2 3.52Å; V293-F308 HydrophobicContact CG2-CE2 3.85Å; V293-F308 HydrophobicContact CG2-CG 4.47Å; R296-F308 HydrophobicContact CG-CE2 4.46Å; V299-F308 HydrophobicContact CB-CE2 4.33Å; V299-F308 HydrophobicContact CB-CZ 4.26Å; V299-F308 HydrophobicContact CG1-CD1 4.12Å; V299-F308 HydrophobicContact CG1-CD2 4.33Å; V299-F308 HydrophobicContact CG1-CE1 4.05Å; V299-F308 HydrophobicContact CG1-CE2 4.25Å; V299-F308 HydrophobicContact CG1-CG 4.26Å; V299-F308 HydrophobicContact CG1-CZ 4.11Å; E300-F308 HydrophobicContact CB-CZ 3.98Å; L303-F308 HydrophobicContact CB-CD1 3.89Å; L303-F308 HydrophobicContact CB-CE1 4.08Å; L303-F308 HydrophobicContact CD1-CB 4.36Å; L303-F308 HydrophobicContact CD1-CD1 3.89Å; L303-F308 HydrophobicContact CD1-CG 4.31Å; L303-F308 HydrophobicContact CG-CD1 4.45Å; F308-A310 HydrophobicContact CD2-CB 4.44Å; F308-A310 HydrophobicContact CE2-CB 4.14Å
309I98.6Very high97Very high1 Ų148.4 Ų48.41%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-110.8134.5172.6-62.4167.3000107.4F264 V290 P291 V292 V293 F314 L320 Y323 L324 L327 Y337F264-I309 HydrophobicContact CD1-CD1 4.26Å; F264-I309 HydrophobicContact CE1-CD1 4.06Å; V290-I309 HydrophobicContact CG1-CD1 3.99Å; V290-I309 HydrophobicContact CG1-CG1 3.98Å; P291-I309 PolarHBondContact O-N 2.92Å; V292-I309 CarbonylContact C-O 3.5Å; V292-I309 VanDerWaalsContact CA-O 3.29Å; V292-I309 WeakPolarHBondContact CA-O 3.46Å; V292-I309 HydrophobicContact CG1-CB 4.49Å; V292-I309 HydrophobicContact CG1-CG2 4.34Å; V292-I309 HydrophobicContact CG2-CB 4.45Å; V293-I309 PolarHBondContact N-O 3.25Å; I309-F314 HydrophobicContact CG2-CE2 3.65Å; I309-F314 HydrophobicContact CG2-CZ 4.02Å; I309-L320 HydrophobicContact CG2-CD1 3.95Å; I309-Y323 HydrophobicContact CD1-CD1 4.38Å; I309-Y323 HydrophobicContact CD1-CE1 4.04Å; I309-Y323 HydrophobicContact CG1-CE1 4.29Å; I309-Y323 HydrophobicContact CG2-CD1 4.44Å; I309-Y323 HydrophobicContact CG2-CE1 4.5Å; I309-L324 HydrophobicContact CD1-CD2 3.59Å; I309-L327 HydrophobicContact CD1-CD1 3.54Å; I309-Y337 HydrophobicContact CD1-CE1 4.22Å; I309-Y337 HydrophobicContact CD1-CE2 4.35Å; I309-Y337 HydrophobicContact CG1-CD1 4.25Å; I309-Y337 HydrophobicContact CG1-CE1 3.49Å; I309-Y337 VanDerWaalsContact CG1-CE1 3.49Å; I309-Y337 HydrophobicContact CG1-CE2 4.41Å
310A98.5Very high97.1Very high0 Ų048 Ų480%024%0.241CC..EExtended strand (participates in β ladder)trans-106.7131.5175.900000110.2V293 R296 F308 D312 D313 F314V293-A310 HydrophobicContact CG2-CB 3.95Å; V293-A310 CarbonylContact O-C 3.55Å; V293-A310 WeakPolarHBondContact O-CA 3.48Å; R296-A310 HydrophobicContact CB-CB 3.61Å; F308-A310 HydrophobicContact CD2-CB 4.44Å; F308-A310 HydrophobicContact CE2-CB 4.14Å; A310-D312 VanDerWaalsContact CB-OD1 3.25Å; A310-D312 WeakPolarHBondContact CB-OD1 3.36Å; A310-D312 PolarHBondContact O-N 3.26Å; A310-D313 WeakPolarHBondContact CB-OD2 3.27Å; A310-D313 PolarHBondContact N-OD2 2.78Å; A310-D313 WeakPolarHBondContact O-CB 3.17Å; A310-D313 PolarHBondContact O-N 2.77Å; A310-F314 VanDerWaalsContact O-CD2 3.29Å; A310-F314 WeakPolarHBondContact O-CD2 3.42Å; A310-F314 WeakPolarHBondContact O-CE2 3.43Å
311A98.4Very high97.2Very high0 Ų043.2 Ų43.20%022%0.218CC..G310 helixtrans-64-25.5-17900000112.3Y220 F268 V293 F294 D313 F314 L320 M400Y220-A311 HydrophobicContact CE1-CB 4.29Å; F268-A311 HydrophobicContact CE1-CB 4.21Å; F268-A311 HydrophobicContact CZ-CB 4.28Å; V293-A311 PolarHBondContact O-N 3.15Å; F294-A311 HydrophobicContact CD2-CB 4.1Å; A311-D313 VanDerWaalsContact C-N 3.26Å; A311-D313 PolarHBondContact O-N 2.77Å; A311-F314 PolarHBondContact O-N 3.07Å; A311-L320 HydrophobicContact CB-CD2 4.02Å; A311-M400 HydrophobicContact CB-CE 3.54Å; A311-M400 VanDerWaalsContact O-CE 3.27Å; A311-M400 WeakPolarHBondContact O-CE 3.41Å
312D97.5Very high97.4Very high49 Ų4943.5 Ų43.526%0.26222%0.216SC..G310 helixtrans-82.81.7178.967.9-32.7000114.2K295 R296 A310 Y396 M400K295-D312 WeakPolarHBondContact CA-OD1 3.41Å; K295-D312 IonicContact NZ-OD2 2.79Å; R296-D312 PolarHBondContact N-OD1 2.84Å; R296-D312 PolarHBondContact N-OD2 2.92Å; A310-D312 VanDerWaalsContact CB-OD1 3.25Å; A310-D312 WeakPolarHBondContact CB-OD1 3.36Å; A310-D312 PolarHBondContact O-N 3.26Å; D312-Y396 WeakPolarHBondContact CB-OH 3.29Å; D312-Y396 PolarHBondContact OD2-OH 2.62Å; D312-M400 HydrophobicContact CB-CE 3.84Å; D312-M400 VanDerWaalsContact N-CE 3.32Å
313D98.1Very high97.6Very high78 Ų7845 Ų4542%0.41722%0.219SC..G310 helixtrans-77.6-9.3165.7-60-33.1000112.4R296 A310 A311R296-D313 WeakPolarHBondContact CD-OD1 3.26Å; R296-D313 IonicContact CZ-OD1 3.62Å; R296-D313 IonicContact CZ-OD2 2.73Å; R296-D313 VanDerWaalsContact CZ-OD2 3.31Å; R296-D313 IonicContact NE-OD1 2.8Å; R296-D313 PolarHBondContact NE-OD1 3.32Å; R296-D313 IonicContact NE-OD2 2.72Å; R296-D313 PolarHBondContact NE-OD2 2.9Å; R296-D313 VanDerWaalsContact NE-OD2 3.16Å; R296-D313 IonicContact NH2-OD1 2.6Å; R296-D313 IonicContact NH2-OD2 3.28Å; R296-D313 PolarHBondContact NH2-OD2 2.84Å; A310-D313 WeakPolarHBondContact CB-OD2 3.27Å; A310-D313 PolarHBondContact N-OD2 2.78Å; A310-D313 WeakPolarHBondContact O-CB 3.17Å; A310-D313 PolarHBondContact O-N 2.77Å; A311-D313 VanDerWaalsContact C-N 3.26Å; A311-D313 PolarHBondContact O-N 2.77Å
314F98.3Very high97.7Very high37 Ų3744.5 Ų44.516%0.16222%0.216CC..SBendtrans-119.1150.8-173.3-53.4-85.1000110.7I309 A310 A311 G316 E319 L320 Y323I309-F314 HydrophobicContact CG2-CE2 3.65Å; I309-F314 HydrophobicContact CG2-CZ 4.02Å; A310-F314 VanDerWaalsContact O-CD2 3.29Å; A310-F314 WeakPolarHBondContact O-CD2 3.42Å; A310-F314 WeakPolarHBondContact O-CE2 3.43Å; A311-F314 PolarHBondContact O-N 3.07Å; F314-G316 PolarHBondContact O-N 3.19Å; F314-E319 HydrophobicContact CB-CB 4.22Å; F314-E319 HydrophobicContact CB-CG 4.43Å; F314-E319 HydrophobicContact CD1-CB 4.49Å; F314-E319 HydrophobicContact CD1-CG 4.03Å; F314-L320 HydrophobicContact CB-CB 4.26Å; F314-L320 HydrophobicContact CD2-CB 4.01Å; F314-L320 HydrophobicContact CD2-CD1 3.66Å; F314-L320 HydrophobicContact CD2-CG 4.39Å; F314-L320 HydrophobicContact CE2-CD1 3.48Å; F314-L320 VanDerWaalsContact CE2-CD1 3.48Å; F314-L320 HydrophobicContact CG-CB 4.05Å; F314-L320 HydrophobicContact CG-CD1 4.43Å; F314-L320 HydrophobicContact CZ-CD1 4.12Å; F314-Y323 AromaticContact CE1-CD1 3.86Å; F314-Y323 HydrophobicContact CE1-CD1 3.86Å; F314-Y323 HydrophobicContact CE1-CD2 4.31Å; F314-Y323 AromaticContact CE1-CG 3.63Å; F314-Y323 HydrophobicContact CE1-CG 3.63Å; F314-Y323 AromaticContact CZ-CD1 3.43Å; F314-Y323 HydrophobicContact CZ-CD1 3.43Å; F314-Y323 VanDerWaalsContact CZ-CD1 3.43Å; F314-Y323 HydrophobicContact CZ-CE1 4.08Å; F314-Y323 AromaticContact CZ-CG 3.73Å; F314-Y323 HydrophobicContact CZ-CG 3.73Å
315K96.2Very high97.8Very high181 Ų18146.5 Ų46.579%0.78723%0.227SC*.SBendtrans-65.6-17.7179.1-66.5173.9-179.3174.90113.6E319K315-E319 VanDerWaalsContact CB-OE2 3.23Å; K315-E319 WeakPolarHBondContact CB-OE2 3.06Å; K315-E319 VanDerWaalsContact CG-OE2 3.29Å; K315-E319 WeakPolarHBondContact CG-OE2 3.4Å; K315-E319 PolarHBondContact N-OE2 3.16Å
316G96.7Very high98Very high3 Ų342 Ų423%0.03121%0.205CC..SBendtrans173.3-179.2-179.700000113.2F314 K318 E319 L320F314-G316 PolarHBondContact O-N 3.19Å; G316-K318 VanDerWaalsContact C-N 3.25Å; G316-K318 PolarHBondContact O-N 3.3Å; G316-E319 PolarHBondContact O-N 3.36Å; G316-L320 PolarHBondContact O-N 2.96Å
317P98.1Very high98.1Very high1 Ų140.2 Ų40.21%0.00619%0.186CC..Hα-helixtrans-61.3-31.1-176.221.9-31.8000113.2Y220 K223 L224 Y227 A321 M400Y220-P317 HydrophobicContact CE1-CB 4.26Å; Y220-P317 HydrophobicContact CE2-CB 4.16Å; Y220-P317 HydrophobicContact CE2-CG 4.4Å; K223-P317 HydrophobicContact CB-CB 4.19Å; K223-P317 HydrophobicContact CB-CG 3.78Å; L224-P317 HydrophobicContact CB-CB 4.28Å; L224-P317 HydrophobicContact CD1-CB 4.27Å; L224-P317 VanDerWaalsContact CD1-O 3.22Å; L224-P317 WeakPolarHBondContact CD1-O 3.42Å; Y227-P317 HydrophobicContact CD2-CB 4.34Å; Y227-P317 HydrophobicContact CE2-CB 4.42Å; Y227-P317 HydrophobicContact CE2-CG 4.17Å; P317-A321 WeakPolarHBondContact O-CB 3.35Å; P317-A321 PolarHBondContact O-N 3.06Å; P317-M400 WeakPolarHBondContact CD-O 3.42Å
318K98.3Very high98Very high91 Ų9141.3 Ų41.340%0.39619%0.193SC..Hα-helixtrans-63.9-49.8176.5-171.2-176178.6-58.10112.2Y227 G316 L320 A321 D322Y227-K318 HydrophobicContact CD1-CB 4.09Å; Y227-K318 HydrophobicContact CD1-CD 4.26Å; Y227-K318 HydrophobicContact CD1-CG 3.75Å; Y227-K318 VanDerWaalsContact CD2-CA 3.46Å; Y227-K318 HydrophobicContact CD2-CB 3.74Å; Y227-K318 HydrophobicContact CD2-CG 4.27Å; Y227-K318 HydrophobicContact CE1-CB 4.01Å; Y227-K318 HydrophobicContact CE1-CD 4.02Å; Y227-K318 HydrophobicContact CE1-CG 3.88Å; Y227-K318 HydrophobicContact CE2-CB 3.63Å; Y227-K318 HydrophobicContact CE2-CG 4.37Å; Y227-K318 HydrophobicContact CG-CB 3.95Å; Y227-K318 HydrophobicContact CG-CG 3.94Å; G316-K318 VanDerWaalsContact C-N 3.25Å; G316-K318 PolarHBondContact O-N 3.3Å; K318-L320 VanDerWaalsContact C-N 3.33Å; K318-L320 PolarHBondContact O-N 2.82Å; K318-A321 WeakPolarHBondContact O-CB 3.46Å; K318-A321 PolarHBondContact O-N 3.03Å; K318-A321 VanDerWaalsContact O-N 3.13Å; K318-D322 IonicContact NZ-OD1 3.16Å; K318-D322 IonicContact NZ-OD2 2.8Å; K318-D322 PolarHBondContact NZ-OD2 3.08Å; K318-D322 VanDerWaalsContact O-CG 3.27Å; K318-D322 PolarHBondContact O-N 3.29Å
319E98.4Very high97.9Very high80 Ų8045.3 Ų45.337%0.37423%0.228SC..Hα-helixtrans-68.3-36.1-177.6-168.6-178.1-153.300111.2F314 K315 G316 D322 Y323F314-E319 HydrophobicContact CB-CB 4.22Å; F314-E319 HydrophobicContact CB-CG 4.43Å; F314-E319 HydrophobicContact CD1-CB 4.49Å; F314-E319 HydrophobicContact CD1-CG 4.03Å; K315-E319 VanDerWaalsContact CB-OE2 3.23Å; K315-E319 WeakPolarHBondContact CB-OE2 3.06Å; K315-E319 VanDerWaalsContact CG-OE2 3.29Å; K315-E319 WeakPolarHBondContact CG-OE2 3.4Å; K315-E319 PolarHBondContact N-OE2 3.16Å; G316-E319 PolarHBondContact O-N 3.36Å; E319-D322 PolarHBondContact O-N 2.93Å; E319-Y323 PolarHBondContact O-N 3.17Å
320L98.6Very high97.9Very high0 Ų047.4 Ų47.40%024%0.239CC..Hα-helixtrans-59.2-47.8168.517563.9000111.1Y220 L224 V292 I309 A311 F314 G316 K318 D322 Y323 L324Y220-L320 HydrophobicContact CE1-CD2 3.85Å; Y220-L320 WeakPolarHBondContact OH-CD2 3.3Å; L224-L320 HydrophobicContact CD1-CD2 4.24Å; L224-L320 HydrophobicContact CD1-CG 4.38Å; L224-L320 HydrophobicContact CD2-CD2 4.41Å; V292-L320 HydrophobicContact CG1-CD1 4.12Å; V292-L320 HydrophobicContact CG1-CD2 4.14Å; I309-L320 HydrophobicContact CG2-CD1 3.95Å; A311-L320 HydrophobicContact CB-CD2 4.02Å; F314-L320 HydrophobicContact CB-CB 4.26Å; F314-L320 HydrophobicContact CD2-CB 4.01Å; F314-L320 HydrophobicContact CD2-CD1 3.66Å; F314-L320 HydrophobicContact CD2-CG 4.39Å; F314-L320 HydrophobicContact CE2-CD1 3.48Å; F314-L320 VanDerWaalsContact CE2-CD1 3.48Å; F314-L320 HydrophobicContact CG-CB 4.05Å; F314-L320 HydrophobicContact CG-CD1 4.43Å; F314-L320 HydrophobicContact CZ-CD1 4.12Å; G316-L320 PolarHBondContact O-N 2.96Å; K318-L320 VanDerWaalsContact C-N 3.33Å; K318-L320 PolarHBondContact O-N 2.82Å; L320-D322 PolarHBondContact O-N 2.85Å; L320-Y323 PolarHBondContact O-N 3.46Å; L320-L324 HydrophobicContact CD1-CD1 4.08Å; L320-L324 HydrophobicContact CD1-CD2 4.35Å; L320-L324 HydrophobicContact CD1-CG 4.01Å; L320-L324 HydrophobicContact CG-CD1 4.06Å; L320-L324 HydrophobicContact CG-CG 4.33Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.46Å; L320-L324 PolarHBondContact O-N 2.67Å
321A98.7Very high97.7Very high0 Ų049.9 Ų49.90%025%0.249CC..Hα-helixtrans-60-43.917800000112.4L224 Y227 M228 P317 K318 Y323 L324 N325L224-A321 HydrophobicContact CD1-CB 3.84Å; Y227-A321 VanDerWaalsContact CB-CB 3.47Å; M228-A321 HydrophobicContact CB-CB 4.05Å; M228-A321 HydrophobicContact CG-CB 3.86Å; M228-A321 HydrophobicContact SD-CB 3.92Å; P317-A321 WeakPolarHBondContact O-CB 3.35Å; P317-A321 PolarHBondContact O-N 3.06Å; K318-A321 WeakPolarHBondContact O-CB 3.46Å; K318-A321 PolarHBondContact O-N 3.03Å; K318-A321 VanDerWaalsContact O-N 3.13Å; A321-Y323 VanDerWaalsContact C-N 3.29Å; A321-Y323 PolarHBondContact O-N 2.82Å; A321-L324 PolarHBondContact O-N 3.22Å; A321-N325 WeakPolarHBondContact O-CB 3.43Å; A321-N325 VanDerWaalsContact O-CG 3.25Å; A321-N325 PolarHBondContact O-N 3.36Å; A321-N325 PolarHBondContact O-ND2 2.99Å
322D98.6Very high97.6Very high76 Ų7652.4 Ų52.441%0.40626%0.264SS..Hα-helixtrans-58.2-43.4176.6-67.9-25.5000110.5K318 E319 L320 N325 Y326K318-D322 IonicContact NZ-OD1 3.16Å; K318-D322 IonicContact NZ-OD2 2.8Å; K318-D322 PolarHBondContact NZ-OD2 3.08Å; K318-D322 VanDerWaalsContact O-CG 3.27Å; K318-D322 PolarHBondContact O-N 3.29Å; E319-D322 PolarHBondContact O-N 2.93Å; L320-D322 PolarHBondContact O-N 2.85Å; D322-N325 PolarHBondContact O-N 3.44Å; D322-Y326 WeakPolarHBondContact O-CB 3.25Å; D322-Y326 PolarHBondContact O-N 3.19Å
323Y98.7Very high97.6Very high71 Ų7151 Ų5128%0.27826%0.259SS..Hα-helixtrans-66.1-43.7176.4-172.8-110.8000113.3I309 F314 E319 L320 A321 N325 Y326 L327 Y337I309-Y323 HydrophobicContact CD1-CD1 4.38Å; I309-Y323 HydrophobicContact CD1-CE1 4.04Å; I309-Y323 HydrophobicContact CG1-CE1 4.29Å; I309-Y323 HydrophobicContact CG2-CD1 4.44Å; I309-Y323 HydrophobicContact CG2-CE1 4.5Å; F314-Y323 AromaticContact CE1-CD1 3.86Å; F314-Y323 HydrophobicContact CE1-CD1 3.86Å; F314-Y323 HydrophobicContact CE1-CD2 4.31Å; F314-Y323 AromaticContact CE1-CG 3.63Å; F314-Y323 HydrophobicContact CE1-CG 3.63Å; F314-Y323 AromaticContact CZ-CD1 3.43Å; F314-Y323 HydrophobicContact CZ-CD1 3.43Å; F314-Y323 VanDerWaalsContact CZ-CD1 3.43Å; F314-Y323 HydrophobicContact CZ-CE1 4.08Å; F314-Y323 AromaticContact CZ-CG 3.73Å; F314-Y323 HydrophobicContact CZ-CG 3.73Å; E319-Y323 PolarHBondContact O-N 3.17Å; L320-Y323 PolarHBondContact O-N 3.46Å; A321-Y323 VanDerWaalsContact C-N 3.29Å; A321-Y323 PolarHBondContact O-N 2.82Å; Y323-N325 VanDerWaalsContact C-N 3.34Å; Y323-N325 PolarHBondContact O-N 3.25Å; Y323-Y326 HydrophobicContact CD2-CD1 4.12Å; Y323-Y326 HydrophobicContact CE2-CD1 4.03Å; Y323-Y326 HydrophobicContact CE2-CE1 4.28Å; Y323-Y326 WeakPolarHBondContact O-CB 3.39Å; Y323-Y326 PolarHBondContact O-N 2.73Å; Y323-L327 HydrophobicContact CD1-CD1 4Å; Y323-L327 HydrophobicContact CD1-CG 4.42Å; Y323-L327 HydrophobicContact CE1-CD1 3.49Å; Y323-L327 VanDerWaalsContact CE1-CD1 3.49Å; Y323-L327 HydrophobicContact CE1-CG 4.05Å; Y323-L327 WeakPolarHBondContact O-CG 3.4Å; Y323-L327 PolarHBondContact O-N 3.09Å; Y323-Y337 WeakPolarHBondContact CE1-OH 3.43Å; Y323-Y337 PolarHBondContact OH-OH 2.77Å
324L98.7Very high97.5Very high0 Ų047.2 Ų47.20%024%0.239CC..Hα-helixtrans-64.8-38.8177.2-65.2-178.1000111.6M228 F264 V292 I309 L320 A321 L327 S328M228-L324 HydrophobicContact CE-CB 3.88Å; M228-L324 HydrophobicContact CE-CD1 4.01Å; M228-L324 HydrophobicContact SD-CB 4.01Å; M228-L324 HydrophobicContact SD-CD1 3.66Å; M228-L324 HydrophobicContact SD-CG 4.42Å; F264-L324 HydrophobicContact CD1-CD2 3.62Å; F264-L324 HydrophobicContact CD2-CB 4.25Å; F264-L324 HydrophobicContact CD2-CD2 4.19Å; F264-L324 HydrophobicContact CE1-CD2 3.7Å; F264-L324 HydrophobicContact CE2-CB 4.05Å; F264-L324 HydrophobicContact CE2-CD2 4.23Å; F264-L324 WeakPolarHBondContact CE2-O 3.41Å; F264-L324 HydrophobicContact CG-CD2 3.91Å; F264-L324 HydrophobicContact CZ-CB 4.42Å; F264-L324 HydrophobicContact CZ-CD2 4.03Å; V292-L324 HydrophobicContact CG2-CD1 4.29Å; V292-L324 HydrophobicContact CG2-CD2 4.11Å; I309-L324 HydrophobicContact CD1-CD2 3.59Å; L320-L324 HydrophobicContact CD1-CD1 4.08Å; L320-L324 HydrophobicContact CD1-CD2 4.35Å; L320-L324 HydrophobicContact CD1-CG 4.01Å; L320-L324 HydrophobicContact CG-CD1 4.06Å; L320-L324 HydrophobicContact CG-CG 4.33Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.46Å; L320-L324 PolarHBondContact O-N 2.67Å; A321-L324 PolarHBondContact O-N 3.22Å; L324-L327 PolarHBondContact O-N 3.44Å; L324-S328 PolarHBondContact O-N 2.93Å; L324-S328 PolarHBondContact O-OG 2.81Å
325N98.2Very high97.4Very high56 Ų5645.5 Ų45.530%0.29923%0.231SC..Hα-helixtrans-65.6-41.1174.1-72.7-31.7000111.9A321 D322 Y323 S328 A329A321-N325 WeakPolarHBondContact O-CB 3.43Å; A321-N325 VanDerWaalsContact O-CG 3.25Å; A321-N325 PolarHBondContact O-N 3.36Å; A321-N325 PolarHBondContact O-ND2 2.99Å; D322-N325 PolarHBondContact O-N 3.44Å; Y323-N325 VanDerWaalsContact C-N 3.34Å; Y323-N325 PolarHBondContact O-N 3.25Å; N325-S328 WeakPolarHBondContact O-CB 3.35Å; N325-S328 PolarHBondContact O-N 3.13Å; N325-A329 PolarHBondContact O-N 3.38Å
326Y98.2Very high97.4Very high113 Ų11341.5 Ų41.544%0.44322%0.215SC..Hα-helixtrans-56.3-50.7171.9158.5-104.2000111.4D322 Y323 S328 A329 N330 A333D322-Y326 WeakPolarHBondContact O-CB 3.25Å; D322-Y326 PolarHBondContact O-N 3.19Å; Y323-Y326 HydrophobicContact CD2-CD1 4.12Å; Y323-Y326 HydrophobicContact CE2-CD1 4.03Å; Y323-Y326 HydrophobicContact CE2-CE1 4.28Å; Y323-Y326 WeakPolarHBondContact O-CB 3.39Å; Y323-Y326 PolarHBondContact O-N 2.73Å; Y326-S328 VanDerWaalsContact C-N 3.3Å; Y326-S328 PolarHBondContact O-N 3.07Å; Y326-A329 PolarHBondContact O-N 3.12Å; Y326-N330 HydrophobicContact CD2-CB 4.27Å; Y326-N330 HydrophobicContact CE2-CB 3.86Å; Y326-N330 WeakPolarHBondContact CE2-ND2 3.27Å; Y326-N330 VanDerWaalsContact O-CB 3.28Å; Y326-N330 WeakPolarHBondContact O-CB 3.5Å; Y326-N330 PolarHBondContact O-N 3.3Å; Y326-N330 PolarHBondContact OH-ND2 3.02Å; Y326-A333 HydrophobicContact CE1-CB 3.98Å
327L97.6Very high97.4Very high0 Ų042.8 Ų42.80%022%0.22CC..Hα-helixtrans-62.9-36.5177.7-70.6-178.1000112.1F264 I309 Y323 L324 A329 N330 A333 Y334 Y337F264-L327 HydrophobicContact CE1-CB 4.28Å; F264-L327 HydrophobicContact CE1-CD1 3.96Å; F264-L327 HydrophobicContact CZ-CB 3.68Å; F264-L327 HydrophobicContact CZ-CD1 4.18Å; I309-L327 HydrophobicContact CD1-CD1 3.54Å; Y323-L327 HydrophobicContact CD1-CD1 4Å; Y323-L327 HydrophobicContact CD1-CG 4.42Å; Y323-L327 HydrophobicContact CE1-CD1 3.49Å; Y323-L327 VanDerWaalsContact CE1-CD1 3.49Å; Y323-L327 HydrophobicContact CE1-CG 4.05Å; Y323-L327 WeakPolarHBondContact O-CG 3.4Å; Y323-L327 PolarHBondContact O-N 3.09Å; L324-L327 PolarHBondContact O-N 3.44Å; L327-A329 VanDerWaalsContact C-N 3.31Å; L327-A329 PolarHBondContact O-N 3.04Å; L327-N330 CarbonylContact O-C 3.41Å; L327-N330 PolarHBondContact O-N 3.1Å; L327-A333 HydrophobicContact CD2-CB 3.68Å; L327-Y334 HydrophobicContact CB-CD2 4.38Å; L327-Y334 WeakPolarHBondContact O-CB 3.24Å; L327-Y337 HydrophobicContact CD1-CD2 4.25Å; L327-Y337 HydrophobicContact CD1-CE2 3.58Å; L327-Y337 HydrophobicContact CD2-CE2 4.03Å; L327-Y337 HydrophobicContact CG-CE2 4.49Å
328S95.9Very high97.1Very high24 Ų2443 Ų4317%0.16822%0.22CC..Hα-helixtrans-61.5-39.1174.9-81.30000113.2N203 K263 F264 L324 N325 Y326N203-S328 VanDerWaalsContact OD1-CB 3.3Å; N203-S328 WeakPolarHBondContact OD1-CB 3.47Å; N203-S328 PolarHBondContact OD1-OG 3.3Å; K263-S328 VanDerWaalsContact CD-OG 3.25Å; K263-S328 WeakPolarHBondContact CD-OG 3.26Å; F264-S328 WeakPolarHBondContact CE2-OG 3.49Å; L324-S328 PolarHBondContact O-N 2.93Å; L324-S328 PolarHBondContact O-OG 2.81Å; N325-S328 WeakPolarHBondContact O-CB 3.35Å; N325-S328 PolarHBondContact O-N 3.13Å; Y326-S328 VanDerWaalsContact C-N 3.3Å; Y326-S328 PolarHBondContact O-N 3.07Å
329A96.1Very high96.8Very high91 Ų9142.5 Ų42.575%0.75222%0.218SC*.Hα-helixtrans-81.6-23.6177.600000113.2N325 Y326 L327N325-A329 PolarHBondContact O-N 3.38Å; Y326-A329 PolarHBondContact O-N 3.12Å; L327-A329 VanDerWaalsContact C-N 3.31Å; L327-A329 PolarHBondContact O-N 3.04Å
330N97.3Very high96.7Very high44 Ų4439.6 Ų39.624%0.23520%0.204CC..  trans-11287.2-177.8-170-9.1000111.7Y326 L327 T332 A333 Y334Y326-N330 HydrophobicContact CD2-CB 4.27Å; Y326-N330 HydrophobicContact CE2-CB 3.86Å; Y326-N330 WeakPolarHBondContact CE2-ND2 3.27Å; Y326-N330 VanDerWaalsContact O-CB 3.28Å; Y326-N330 WeakPolarHBondContact O-CB 3.5Å; Y326-N330 PolarHBondContact O-N 3.3Å; Y326-N330 PolarHBondContact OH-ND2 3.02Å; L327-N330 CarbonylContact O-C 3.41Å; L327-N330 PolarHBondContact O-N 3.1Å; N330-T332 PolarHBondContact O-N 3.45Å; N330-T332 PolarHBondContact OD1-N 3.41Å; N330-T332 PolarHBondContact OD1-OG1 2.75Å; N330-A333 HydrophobicContact CB-CB 4.23Å; N330-A333 PolarHBondContact O-N 2.89Å; N330-A333 PolarHBondContact OD1-N 3.01Å; N330-Y334 PolarHBondContact O-N 2.87Å
331W94.9Very high96.5Very high53 Ų5340.2 Ų40.220%0.20121%0.206CC..Hα-helixtrans-61.7-28.1-178.172.2-90.6000113.5Y190 K194 A197 L198 Y334 I335Y190-W331 HydrophobicContact CD1-CH2 4.09Å; Y190-W331 HydrophobicContact CD1-CZ3 4.38Å; Y190-W331 AromaticContact CE1-CH2 3.15Å; Y190-W331 HydrophobicContact CE1-CH2 3.15Å; Y190-W331 HydrophobicContact CE1-CZ2 4.23Å; Y190-W331 AromaticContact CE1-CZ3 3.62Å; Y190-W331 HydrophobicContact CE1-CZ3 3.62Å; Y190-W331 HydrophobicContact CE2-CH2 4.3Å; Y190-W331 AromaticContact CE2-CZ3 3.97Å; Y190-W331 HydrophobicContact CE2-CZ3 3.97Å; Y190-W331 AromaticContact CZ-CH2 3.23Å; Y190-W331 AromaticContact CZ-CZ3 3.31Å; Y190-W331 WeakPolarHBondContact OH-CH2 3.42Å; Y190-W331 WeakPolarHBondContact OH-CZ3 3.09Å; K194-W331 HydrophobicContact CB-CE3 3.96Å; K194-W331 HydrophobicContact CB-CH2 3.78Å; K194-W331 HydrophobicContact CB-CZ3 3.45Å; K194-W331 VanDerWaalsContact CB-CZ3 3.45Å; K194-W331 HydrophobicContact CD-CH2 3.44Å; K194-W331 VanDerWaalsContact CD-CH2 3.44Å; K194-W331 HydrophobicContact CD-CZ2 3.67Å; K194-W331 HydrophobicContact CD-CZ3 4.02Å; K194-W331 HydrophobicContact CG-CD2 4.07Å; K194-W331 HydrophobicContact CG-CE3 3.82Å; K194-W331 HydrophobicContact CG-CH2 3.52Å; K194-W331 HydrophobicContact CG-CZ2 3.91Å; K194-W331 HydrophobicContact CG-CZ3 3.54Å; A197-W331 HydrophobicContact CB-CB 4.05Å; L198-W331 HydrophobicContact CD2-CB 4.11Å; L198-W331 HydrophobicContact CD2-CG 4.27Å; W331-Y334 PolarHBondContact O-N 3.27Å; W331-I335 HydrophobicContact CE3-CD1 4.1Å; W331-I335 HydrophobicContact CE3-CG2 4.46Å; W331-I335 HydrophobicContact CZ3-CD1 3.89Å; W331-I335 WeakPolarHBondContact O-CG1 3.33Å; W331-I335 WeakPolarHBondContact O-CG2 3.45Å; W331-I335 PolarHBondContact O-N 3.37Å; W331-I335 VanDerWaalsContact O-N 3.11Å
332T96.5Very high96.4Very high52 Ų5241.5 Ų41.532%0.31921%0.213SC..Hα-helixtrans-71.2-39-179.964.80000111.1Y190 N330 I335Y190-T332 VanDerWaalsContact OH-CG2 3.26Å; Y190-T332 WeakPolarHBondContact OH-CG2 3.48Å; N330-T332 PolarHBondContact O-N 3.45Å; N330-T332 PolarHBondContact OD1-N 3.41Å; N330-T332 PolarHBondContact OD1-OG1 2.75Å; T332-I335 WeakPolarHBondContact O-CG1 3.3Å
333A97Very high96.3Very high19 Ų1944.7 Ų44.716%0.15722%0.223CC..Hα-helixtrans-69.3-39.1172.300000111.9Y326 L327 N330 I335 E336Y326-A333 HydrophobicContact CE1-CB 3.98Å; L327-A333 HydrophobicContact CD2-CB 3.68Å; N330-A333 HydrophobicContact CB-CB 4.23Å; N330-A333 PolarHBondContact O-N 2.89Å; N330-A333 PolarHBondContact OD1-N 3.01Å; A333-I335 PolarHBondContact O-N 3.2Å; A333-E336 WeakPolarHBondContact O-CB 3.33Å; A333-E336 PolarHBondContact O-N 2.74Å
334Y96.6Very high96.2Very high0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-59.8-44.2179.6-178-108.9000112.5A197 K263 F264 H288 V290 L327 N330 W331 E336 Y337 Y338A197-Y334 HydrophobicContact CB-CD1 3.65Å; A197-Y334 HydrophobicContact CB-CE1 4.09Å; K263-Y334 WeakPolarHBondContact CA-OH 3.36Å; K263-Y334 HydrophobicContact CB-CE2 3.58Å; K263-Y334 WeakPolarHBondContact CB-OH 3.4Å; K263-Y334 HydrophobicContact CD-CE2 4.39Å; K263-Y334 HydrophobicContact CG-CE1 4.37Å; K263-Y334 HydrophobicContact CG-CE2 3.96Å; K263-Y334 PolarHBondContact O-OH 2.99Å; F264-Y334 HydrophobicContact CD1-CE2 4.43Å; F264-Y334 AromaticContact CE1-CD2 3.98Å; F264-Y334 HydrophobicContact CE1-CD2 3.98Å; F264-Y334 AromaticContact CE1-CE2 3.73Å; F264-Y334 HydrophobicContact CE1-CE2 3.73Å; F264-Y334 HydrophobicContact CE2-CE2 4.49Å; F264-Y334 AromaticContact CZ-CD2 3.85Å; F264-Y334 HydrophobicContact CZ-CD2 3.85Å; F264-Y334 AromaticContact CZ-CE2 3.75Å; F264-Y334 HydrophobicContact CZ-CE2 3.75Å; H288-Y334 PolarHBondContact O-OH 2.95Å; H288-Y334 VanDerWaalsContact O-OH 3.1Å; V290-Y334 HydrophobicContact CG2-CD2 4.4Å; V290-Y334 HydrophobicContact CG2-CE2 3.92Å; L327-Y334 HydrophobicContact CB-CD2 4.38Å; L327-Y334 WeakPolarHBondContact O-CB 3.24Å; N330-Y334 PolarHBondContact O-N 2.87Å; W331-Y334 PolarHBondContact O-N 3.27Å; Y334-E336 PolarHBondContact O-N 3Å; Y334-Y337 PolarHBondContact O-N 3.37Å; Y334-Y338 AromaticContact CD1-CE2 3.68Å; Y334-Y338 HydrophobicContact CD1-CE2 3.68Å; Y334-Y338 WeakPolarHBondContact CD1-OH 3.08Å; Y334-Y338 WeakPolarHBondContact CD2-OH 3.32Å; Y334-Y338 AromaticContact CE1-CE2 3.51Å; Y334-Y338 HydrophobicContact CE1-CE2 3.51Å; Y334-Y338 AromaticContact CE1-CZ 3.61Å; Y334-Y338 WeakPolarHBondContact CE1-OH 3.35Å; Y334-Y338 AromaticContact CE2-CZ 3.98Å; Y334-Y338 WeakPolarHBondContact CE2-OH 3.23Å; Y334-Y338 HydrophobicContact CG-CE2 4.26Å; Y334-Y338 AromaticContact CZ-CE2 3.99Å; Y334-Y338 AromaticContact CZ-CZ 3.56Å; Y334-Y338 VanDerWaalsContact O-CE2 3.22Å; Y334-Y338 WeakPolarHBondContact O-CE2 3.36Å; Y334-Y338 PolarHBondContact O-OH 3.4Å; Y334-Y338 PolarHBondContact OH-OH 3.18Å; Y334-Y338 VanDerWaalsContact OH-OH 3.08Å
335I95.5Very high96.1Very high0 Ų047.7 Ų47.70%024%0.237CC..Hα-helixtrans-68.8-18.9-176.960.2170.6000114.3Y190 W193 A197 W331 T332 A333 Y337 Y338 K339Y190-I335 HydrophobicContact CD2-CD1 3.79Å; Y190-I335 HydrophobicContact CE2-CD1 3.25Å; W193-I335 HydrophobicContact CB-CB 4.22Å; W193-I335 HydrophobicContact CB-CD1 4.19Å; W193-I335 HydrophobicContact CB-CG2 3.97Å; A197-I335 HydrophobicContact CB-CG2 3.69Å; W331-I335 HydrophobicContact CE3-CD1 4.1Å; W331-I335 HydrophobicContact CE3-CG2 4.46Å; W331-I335 HydrophobicContact CZ3-CD1 3.89Å; W331-I335 WeakPolarHBondContact O-CG1 3.33Å; W331-I335 WeakPolarHBondContact O-CG2 3.45Å; W331-I335 PolarHBondContact O-N 3.37Å; W331-I335 VanDerWaalsContact O-N 3.11Å; T332-I335 WeakPolarHBondContact O-CG1 3.3Å; A333-I335 PolarHBondContact O-N 3.2Å; I335-Y337 PolarHBondContact O-N 2.96Å; I335-Y337 VanDerWaalsContact O-N 3.15Å; I335-Y338 HydrophobicContact CB-CD2 4.47Å; I335-Y338 PolarHBondContact O-N 2.93Å; I335-K339 PolarHBondContact O-N 3.02Å
336E96.4Very high96Very high97 Ų9746.2 Ų46.245%0.45323%0.23SC..G310 helixtrans-56-31.4174.1-61.1-54133.500111.4A333 Y334 Y338 K339A333-E336 WeakPolarHBondContact O-CB 3.33Å; A333-E336 PolarHBondContact O-N 2.74Å; Y334-E336 PolarHBondContact O-N 3Å; E336-Y338 PolarHBondContact O-N 2.92Å; E336-K339 PolarHBondContact O-N 3.45Å; E336-K339 WeakPolarHBondContact OE1-CE 3.39Å; E336-K339 IonicContact OE1-NZ 3.65Å; E336-K339 PolarHBondContact OE1-NZ 3.25Å; E336-K339 WeakPolarHBondContact OE2-CD 3.41Å; E336-K339 VanDerWaalsContact OE2-CE 3.3Å; E336-K339 WeakPolarHBondContact OE2-CE 3.46Å; E336-K339 IonicContact OE2-NZ 2.58Å; E336-K339 PolarHBondContact OE2-NZ 3.24Å
337Y96.8Very high95.8Very high31 Ų3141.5 Ų41.512%0.12221%0.213CC..G310 helixtrans-71.4-5.7179.3-72-81.8000115.5V290 G306 I309 Y323 L327 Y334 I335 W340V290-Y337 HydrophobicContact CG1-CD1 3.66Å; V290-Y337 HydrophobicContact CG1-CE1 4.32Å; V290-Y337 HydrophobicContact CG1-CG 3.88Å; V290-Y337 HydrophobicContact CG2-CD2 4.41Å; V290-Y337 HydrophobicContact CG2-CG 4.01Å; G306-Y337 WeakPolarHBondContact O-CA 3.24Å; G306-Y337 VanDerWaalsContact O-CD1 3.23Å; G306-Y337 WeakPolarHBondContact O-CD1 3.47Å; I309-Y337 HydrophobicContact CD1-CE1 4.22Å; I309-Y337 HydrophobicContact CD1-CE2 4.35Å; I309-Y337 HydrophobicContact CG1-CD1 4.25Å; I309-Y337 HydrophobicContact CG1-CE1 3.49Å; I309-Y337 VanDerWaalsContact CG1-CE1 3.49Å; I309-Y337 HydrophobicContact CG1-CE2 4.41Å; Y323-Y337 WeakPolarHBondContact CE1-OH 3.43Å; Y323-Y337 PolarHBondContact OH-OH 2.77Å; L327-Y337 HydrophobicContact CD1-CD2 4.25Å; L327-Y337 HydrophobicContact CD1-CE2 3.58Å; L327-Y337 HydrophobicContact CD2-CE2 4.03Å; L327-Y337 HydrophobicContact CG-CE2 4.49Å; Y334-Y337 PolarHBondContact O-N 3.37Å; I335-Y337 PolarHBondContact O-N 2.96Å; I335-Y337 VanDerWaalsContact O-N 3.15Å; Y337-W340 PolarHBondContact O-NE1 2.92Å
338Y91.1Very high95.6Very high4 Ų443.4 Ų43.42%0.01623%0.225CC..G310 helixtrans-121.2-8.2177.7-34.6-59.2000113.7W193 V290 Y334 I335 E336 W340 K341W193-Y338 HydrophobicContact CE3-CD2 4.42Å; W193-Y338 HydrophobicContact CZ3-CG 4.43Å; V290-Y338 HydrophobicContact CB-CE1 4.41Å; V290-Y338 HydrophobicContact CG2-CE1 3.48Å; V290-Y338 VanDerWaalsContact CG2-CE1 3.48Å; V290-Y338 WeakPolarHBondContact CG2-OH 3.41Å; Y334-Y338 AromaticContact CD1-CE2 3.68Å; Y334-Y338 HydrophobicContact CD1-CE2 3.68Å; Y334-Y338 WeakPolarHBondContact CD1-OH 3.08Å; Y334-Y338 WeakPolarHBondContact CD2-OH 3.32Å; Y334-Y338 AromaticContact CE1-CE2 3.51Å; Y334-Y338 HydrophobicContact CE1-CE2 3.51Å; Y334-Y338 AromaticContact CE1-CZ 3.61Å; Y334-Y338 WeakPolarHBondContact CE1-OH 3.35Å; Y334-Y338 AromaticContact CE2-CZ 3.98Å; Y334-Y338 WeakPolarHBondContact CE2-OH 3.23Å; Y334-Y338 HydrophobicContact CG-CE2 4.26Å; Y334-Y338 AromaticContact CZ-CE2 3.99Å; Y334-Y338 AromaticContact CZ-CZ 3.56Å; Y334-Y338 VanDerWaalsContact O-CE2 3.22Å; Y334-Y338 WeakPolarHBondContact O-CE2 3.36Å; Y334-Y338 PolarHBondContact O-OH 3.4Å; Y334-Y338 PolarHBondContact OH-OH 3.18Å; Y334-Y338 VanDerWaalsContact OH-OH 3.08Å; I335-Y338 HydrophobicContact CB-CD2 4.47Å; I335-Y338 PolarHBondContact O-N 2.93Å; E336-Y338 PolarHBondContact O-N 2.92Å; Y338-W340 PolarHBondContact O-N 2.96Å; Y338-W340 VanDerWaalsContact O-N 3.12Å; Y338-K341 WeakPolarHBondContact O-CB 3.5Å; Y338-K341 WeakPolarHBondContact O-CG 3.08Å; Y338-K341 PolarHBondContact O-N 3.49Å
339K92.9Very high95.3Very high81 Ų8145 Ų4535%0.35223%0.229SC..G310 helixtrans-58.8-28.1-179.6-72.7-173.4-177.7170.90113.1I335 E336 K341 D342I335-K339 PolarHBondContact O-N 3.02Å; E336-K339 PolarHBondContact O-N 3.45Å; E336-K339 WeakPolarHBondContact OE1-CE 3.39Å; E336-K339 IonicContact OE1-NZ 3.65Å; E336-K339 PolarHBondContact OE1-NZ 3.25Å; E336-K339 WeakPolarHBondContact OE2-CD 3.41Å; E336-K339 VanDerWaalsContact OE2-CE 3.3Å; E336-K339 WeakPolarHBondContact OE2-CE 3.46Å; E336-K339 IonicContact OE2-NZ 2.58Å; E336-K339 PolarHBondContact OE2-NZ 3.24Å; K339-K341 PolarHBondContact O-N 3.23Å; K339-K341 VanDerWaalsContact O-N 3.11Å; K339-D342 PolarHBondContact O-N 3.05Å
340W95.6Very high95.1Very high19 Ų1942.8 Ų42.87%0.07221%0.207CC..G310 helixtrans-57.1-24.5173.967-95.2000112.9V179 F285 P304 Y337 Y338 D342 K343 Y344 V346V179-W340 HydrophobicContact CG1-CH2 4.5Å; V179-W340 HydrophobicContact CG1-CZ3 4.14Å; F285-W340 AromaticContact CD1-CH2 3.62Å; F285-W340 HydrophobicContact CD1-CH2 3.62Å; F285-W340 AromaticContact CD1-CZ2 3.98Å; F285-W340 HydrophobicContact CD1-CZ2 3.98Å; F285-W340 HydrophobicContact CD2-CH2 4.22Å; F285-W340 AromaticContact CD2-CZ2 3.76Å; F285-W340 HydrophobicContact CD2-CZ2 3.76Å; F285-W340 AromaticContact CE1-CH2 3.5Å; F285-W340 HydrophobicContact CE1-CH2 3.5Å; F285-W340 VanDerWaalsContact CE1-CH2 3.5Å; F285-W340 AromaticContact CE1-CZ2 3.7Å; F285-W340 HydrophobicContact CE1-CZ2 3.7Å; F285-W340 HydrophobicContact CE1-CZ3 4.2Å; F285-W340 HydrophobicContact CE2-CH2 4.12Å; F285-W340 AromaticContact CE2-CZ2 3.47Å; F285-W340 HydrophobicContact CE2-CZ2 3.47Å; F285-W340 VanDerWaalsContact CE2-CZ2 3.47Å; F285-W340 AromaticContact CG-CH2 3.98Å; F285-W340 HydrophobicContact CG-CH2 3.98Å; F285-W340 HydrophobicContact CG-CZ2 4Å; F285-W340 AromaticContact CZ-CE2 3.99Å; F285-W340 AromaticContact CZ-CH2 3.77Å; F285-W340 HydrophobicContact CZ-CH2 3.77Å; F285-W340 AromaticContact CZ-CZ2 3.45Å; F285-W340 HydrophobicContact CZ-CZ2 3.45Å; F285-W340 VanDerWaalsContact CZ-CZ2 3.45Å; P304-W340 HydrophobicContact CB-CB 3.99Å; P304-W340 HydrophobicContact CB-CD2 4.46Å; P304-W340 HydrophobicContact CB-CG 4.24Å; P304-W340 HydrophobicContact CG-CB 4.47Å; P304-W340 HydrophobicContact CG-CD2 4.12Å; P304-W340 HydrophobicContact CG-CE3 3.82Å; P304-W340 HydrophobicContact CG-CG 4.42Å; P304-W340 HydrophobicContact CG-CZ3 4.38Å; Y337-W340 PolarHBondContact O-NE1 2.92Å; Y338-W340 PolarHBondContact O-N 2.96Å; Y338-W340 VanDerWaalsContact O-N 3.12Å; W340-D342 PolarHBondContact O-N 3.15Å; W340-K343 PolarHBondContact O-N 3.28Å; W340-Y344 HydrophobicContact CB-CD2 4.44Å; W340-Y344 HydrophobicContact CE3-CD2 4.42Å; W340-Y344 WeakPolarHBondContact O-CD2 3.21Å; W340-Y344 PolarHBondContact O-N 2.94Å; W340-V346 HydrophobicContact CH2-CG2 3.58Å; W340-V346 HydrophobicContact CZ3-CG2 4.1Å
341K95.4Very high94.9Very high13 Ų1342 Ų426%0.05721%0.206CC..G310 helixtrans-66.1-19.5-179.4-65.2172.9-175-72.70114.1R182 W193 F285 D286 H288 Y338 K339 Y344R182-K341 PolarHBondContact NE-O 3.08Å; R182-K341 PolarHBondContact NH2-O 3.4Å; R182-K341 VanDerWaalsContact NH2-O 3.14Å; W193-K341 HydrophobicContact CH2-CB 4.27Å; W193-K341 HydrophobicContact CH2-CD 4.07Å; W193-K341 HydrophobicContact CZ3-CD 4.45Å; F285-K341 PolarHBondContact O-NZ 2.93Å; D286-K341 PolarHBondContact O-NZ 3.42Å; H288-K341 VanDerWaalsContact CD2-CE 3.48Å; H288-K341 WeakPolarHBondContact CD2-CE 3.48Å; Y338-K341 WeakPolarHBondContact O-CB 3.5Å; Y338-K341 WeakPolarHBondContact O-CG 3.08Å; Y338-K341 PolarHBondContact O-N 3.49Å; K339-K341 PolarHBondContact O-N 3.23Å; K339-K341 VanDerWaalsContact O-N 3.11Å; K341-Y344 CarbonylContact C-O 3.43Å
342D95.5Very high94.9Very high28 Ų2839.5 Ų39.515%0.1520%0.196CC..G310 helixtrans-70.5-26.7173.1-79.8-5.8000111.2P185 L186 T188 K339 W340P185-D342 WeakPolarHBondContact CA-O 3.4Å; L186-D342 HydrophobicContact CB-CB 4.36Å; L186-D342 PolarHBondContact N-O 2.66Å; L186-D342 VanDerWaalsContact O-CB 3.3Å; L186-D342 WeakPolarHBondContact O-CB 3.44Å; T188-D342 VanDerWaalsContact CB-OD1 3.28Å; T188-D342 WeakPolarHBondContact CB-OD1 3.17Å; T188-D342 PolarHBondContact N-OD2 3.14Å; T188-D342 PolarHBondContact OG1-OD1 3.44Å; K339-D342 PolarHBondContact O-N 3.05Å; W340-D342 PolarHBondContact O-N 3.15Å
343K96.6Very high94.8Very high142 Ų14237 Ų3762%0.61718%0.181SC*.THydrogen-bonded Turntrans-100.6-31.6-178.1-61.6-176-179.2-177.50113.6P181 R182 W340P181-K343 WeakPolarHBondContact CA-O 3.25Å; R182-K343 PolarHBondContact N-O 3.06Å; W340-K343 PolarHBondContact O-N 3.28Å
344Y97.2Very high94.8Very high85 Ų8537.4 Ų37.433%0.33318%0.179SC..EExtended strand (participates in β ladder)trans-124152.9-175.4-53.3-90.4000112.3R180 P181 R182 P304 W340 K341R180-Y344 CarbonylContact O-C 3.53Å; R180-Y344 VanDerWaalsContact O-CA 3.24Å; R180-Y344 WeakPolarHBondContact O-CA 3.44Å; R180-Y344 WeakPolarHBondContact O-CB 3.23Å; P181-Y344 HydrophobicContact CG-CD1 4.32Å; P181-Y344 HydrophobicContact CG-CE1 4.14Å; R182-Y344 PolarHBondContact NE-O 3.08Å; R182-Y344 PolarHBondContact NH2-O 3.25Å; P304-Y344 HydrophobicContact CB-CD2 4.24Å; P304-Y344 HydrophobicContact CB-CE2 4.25Å; P304-Y344 HydrophobicContact CG-CD2 3.98Å; P304-Y344 HydrophobicContact CG-CE2 4.38Å; P304-Y344 HydrophobicContact CG-CG 4.24Å; W340-Y344 HydrophobicContact CB-CD2 4.44Å; W340-Y344 HydrophobicContact CE3-CD2 4.42Å; W340-Y344 WeakPolarHBondContact O-CD2 3.21Å; W340-Y344 PolarHBondContact O-N 2.94Å; K341-Y344 CarbonylContact C-O 3.43Å
345E96.4Very high94.8Very high49 Ų4940.2 Ų40.223%0.22919%0.194CC..EExtended strand (participates in β ladder)trans-114.6153.2166.762-178.6171.300110.8V179 R180 R182V179-E345 WeakPolarHBondContact CA-O 3.46Å; R180-E345 HydrophobicContact CG-CG 3.76Å; R180-E345 IonicContact CZ-OE1 3.97Å; R180-E345 PolarHBondContact N-O 2.81Å; R180-E345 IonicContact NE-OE1 3.96Å; R180-E345 PolarHBondContact NE-OE1 3.06Å; R180-E345 IonicContact NH2-OE1 3.8Å; R180-E345 PolarHBondContact NH2-OE1 3.36Å; R180-E345 PolarHBondContact O-N 3.17Å; R182-E345 HydrophobicContact CG-CB 4.15Å; R182-E345 HydrophobicContact CG-CG 4.45Å
346V95.7Very high94.9Very high25 Ų2540.2 Ų40.215%0.15219%0.194CC..EExtended strand (participates in β ladder)trans-92.9133.6176.9-175.40000108.6V179 F282 F285 D286 W340V179-V346 HydrophobicContact CG1-CG2 4.42Å; F282-V346 HydrophobicContact CD1-CG1 4.36Å; F285-V346 HydrophobicContact CB-CG1 4.14Å; F285-V346 HydrophobicContact CB-CG2 3.96Å; F285-V346 HydrophobicContact CD1-CG1 4.33Å; F285-V346 HydrophobicContact CD1-CG2 3.65Å; F285-V346 HydrophobicContact CG-CG2 4.08Å; D286-V346 HydrophobicContact CB-CB 4.34Å; D286-V346 HydrophobicContact CB-CG2 4.09Å; W340-V346 HydrophobicContact CH2-CG2 3.58Å; W340-V346 HydrophobicContact CZ3-CG2 4.1Å
347V95.2Very high95Very high14 Ų1435.7 Ų35.79%0.08517%0.172CC..EExtended strand (participates in β ladder)trans-115.299.1172.9-170.10000107.6G177 F178 R180 S351G177-V347 CarbonylContact C-O 3.57Å; G177-V347 WeakPolarHBondContact CA-O 3.46Å; F178-V347 HydrophobicContact CD1-CB 4.25Å; F178-V347 HydrophobicContact CD2-CB 4.06Å; F178-V347 HydrophobicContact CD2-CG2 4.17Å; F178-V347 HydrophobicContact CE1-CB 3.91Å; F178-V347 HydrophobicContact CE1-CG1 3.76Å; F178-V347 HydrophobicContact CE2-CB 3.73Å; F178-V347 HydrophobicContact CE2-CG1 4.1Å; F178-V347 HydrophobicContact CE2-CG2 3.69Å; F178-V347 HydrophobicContact CG-CB 4.31Å; F178-V347 HydrophobicContact CZ-CB 3.65Å; F178-V347 HydrophobicContact CZ-CG1 3.52Å; F178-V347 HydrophobicContact CZ-CG2 4Å; F178-V347 PolarHBondContact N-O 3.18Å; F178-V347 PolarHBondContact O-N 3.31Å; R180-V347 HydrophobicContact CG-CG2 4.04Å; V347-S351 VanDerWaalsContact CG1-CB 3.42Å
348P92.4Very high95.1Very high40 Ų4035 Ų3526%0.2617%0.172SC..  trans-80.7-179.3-17634.6-36.2000112.3F282 S351F282-P348 HydrophobicContact CB-CB 4.49Å; P348-S351 PolarHBondContact O-N 2.97Å; P348-S351 VanDerWaalsContact O-N 3.14Å
349F90.3Very high95.5Very high58 Ų5838.3 Ų38.325%0.25419%0.188SC..THydrogen-bonded Turntrans-55.7140.6168.7-174.4-90.6000110.3Y80 F176 L353Y80-F349 HydrophobicContact CE1-CE2 4.25Å; Y80-F349 AromaticContact CE1-CZ 4Å; Y80-F349 HydrophobicContact CE1-CZ 4Å; F176-F349 WeakPolarHBondContact O-CA 3.26Å; F176-F349 WeakPolarHBondContact O-CB 3.32Å; F176-F349 PolarHBondContact O-N 3.17Å; F349-L353 HydrophobicContact CE2-CB 4.3Å; F349-L353 HydrophobicContact CE2-CD2 4.35Å; F349-L353 HydrophobicContact CZ-CD2 4.31Å
350P91.4Very high95.7Very high44 Ų4434.5 Ų34.529%0.28617%0.171SC..THydrogen-bonded Turncis-94.111.89.137.4-36.8000115.9Y89 G352 L353 E354Y89-P350 HydrophobicContact CD1-CB 4.44Å; Y89-P350 HydrophobicContact CE1-CB 3.65Å; Y89-P350 HydrophobicContact CE1-CG 4.02Å; P350-G352 PolarHBondContact O-N 3.48Å; P350-G352 VanDerWaalsContact O-N 3.08Å; P350-L353 WeakPolarHBondContact O-CA 3.43Å; P350-L353 VanDerWaalsContact O-CB 3.27Å; P350-L353 WeakPolarHBondContact O-CB 3.14Å; P350-L353 PolarHBondContact O-N 3.4Å; P350-E354 PolarHBondContact O-N 2.94Å; P350-E354 VanDerWaalsContact O-N 3.11Å
351S93.6Very high95.9Very high29 Ų2933.6 Ų33.620%0.20317%0.168CC..Hα-helixtrans-63.9-22.4-169.4-73.50000115.9V347 P348 E354 I355V347-S351 VanDerWaalsContact CG1-CB 3.42Å; P348-S351 PolarHBondContact O-N 2.97Å; P348-S351 VanDerWaalsContact O-N 3.14Å; S351-E354 WeakPolarHBondContact CA-OE2 3.36Å; S351-E354 WeakPolarHBondContact O-CB 3.33Å; S351-E354 PolarHBondContact O-N 3.34Å; S351-E354 PolarHBondContact OG-OE2 3.43Å; S351-I355 WeakPolarHBondContact O-CG1 3.4Å; S351-I355 PolarHBondContact O-N 3.49Å; S351-I355 VanDerWaalsContact O-N 3.1Å
352G95.5Very high96.1Very high0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-73.3-28.3169.700000113.5T174 P175 P350 I355 G356T174-G352 WeakPolarHBondContact CG2-O 3.42Å; P175-G352 CarbonylContact O-C 3.45Å; P175-G352 WeakPolarHBondContact O-CA 3.45Å; P350-G352 PolarHBondContact O-N 3.48Å; P350-G352 VanDerWaalsContact O-N 3.08Å; G352-I355 WeakPolarHBondContact O-CB 3.41Å; G352-I355 PolarHBondContact O-N 2.95Å; G352-G356 PolarHBondContact O-N 3.32Å
353L94.5Very high96.2Very high0 Ų037.2 Ų37.20%019%0.188CC..Hα-helixtrans-68.9-38.4169.2-174.256.7000111.6Y80 Y89 F139 T174 F349 P350 I355 G356 M357Y80-L353 HydrophobicContact CD1-CD2 4.27Å; Y89-L353 HydrophobicContact CD1-CD2 4.43Å; Y89-L353 HydrophobicContact CD1-CG 4.46Å; Y89-L353 HydrophobicContact CD2-CD2 4.03Å; Y89-L353 HydrophobicContact CD2-CG 4.33Å; Y89-L353 HydrophobicContact CE1-CD2 4.06Å; Y89-L353 HydrophobicContact CE2-CD2 3.57Å; Y89-L353 HydrophobicContact CE2-CG 4.35Å; Y89-L353 HydrophobicContact CG-CD2 4.43Å; Y89-L353 HydrophobicContact CG-CG 4.38Å; F139-L353 HydrophobicContact CE1-CD1 4.4Å; F139-L353 HydrophobicContact CE2-CD1 4.32Å; F139-L353 HydrophobicContact CZ-CD1 3.67Å; T174-L353 HydrophobicContact CG2-CB 4.41Å; T174-L353 HydrophobicContact CG2-CD1 3.87Å; F349-L353 HydrophobicContact CE2-CB 4.3Å; F349-L353 HydrophobicContact CE2-CD2 4.35Å; F349-L353 HydrophobicContact CZ-CD2 4.31Å; P350-L353 WeakPolarHBondContact O-CA 3.43Å; P350-L353 VanDerWaalsContact O-CB 3.27Å; P350-L353 WeakPolarHBondContact O-CB 3.14Å; P350-L353 PolarHBondContact O-N 3.4Å; L353-I355 VanDerWaalsContact C-N 3.31Å; L353-I355 PolarHBondContact O-N 3.2Å; L353-G356 PolarHBondContact O-N 3.41Å; L353-M357 HydrophobicContact CD1-CG 4.37Å; L353-M357 WeakPolarHBondContact O-CG 3.18Å; L353-M357 PolarHBondContact O-N 3.07Å
354E96.4Very high96.3Very high27 Ų2730.6 Ų30.613%0.12616%0.159CC..Hα-helixtrans-58-44.5170.9-59.8172.2157.900111Y89 K92 P350 S351 M357 C358Y89-E354 HydrophobicContact CD1-CG 4.04Å; Y89-E354 WeakPolarHBondContact O-CA 3.32Å; K92-E354 HydrophobicContact CG-CB 4.38Å; P350-E354 PolarHBondContact O-N 2.94Å; P350-E354 VanDerWaalsContact O-N 3.11Å; S351-E354 WeakPolarHBondContact CA-OE2 3.36Å; S351-E354 WeakPolarHBondContact O-CB 3.33Å; S351-E354 PolarHBondContact O-N 3.34Å; S351-E354 PolarHBondContact OG-OE2 3.43Å; E354-M357 PolarHBondContact O-N 3.49Å; E354-C358 WeakPolarHBondContact O-CB 3.29Å; E354-C358 PolarHBondContact O-N 2.92Å; E354-C358 PolarHBondContact O-SG 2.91Å; E354-C358 VanDerWaalsContact O-SG 3.35Å
355I97.1Very high96.3Very high59 Ų5930.1 Ų30.130%0.30316%0.157SC..Hα-helixtrans-59-50.6174.9-70.7170000111.1F178 S351 G352 L353 M357 C358 Q359F178-I355 HydrophobicContact CD1-CD1 4.08Å; F178-I355 HydrophobicContact CE1-CD1 3.37Å; F178-I355 HydrophobicContact CE2-CD1 4.49Å; F178-I355 HydrophobicContact CZ-CD1 3.61Å; S351-I355 WeakPolarHBondContact O-CG1 3.4Å; S351-I355 PolarHBondContact O-N 3.49Å; S351-I355 VanDerWaalsContact O-N 3.1Å; G352-I355 WeakPolarHBondContact O-CB 3.41Å; G352-I355 PolarHBondContact O-N 2.95Å; L353-I355 VanDerWaalsContact C-N 3.31Å; L353-I355 PolarHBondContact O-N 3.2Å; I355-M357 VanDerWaalsContact C-N 3.33Å; I355-M357 PolarHBondContact O-N 2.87Å; I355-C358 PolarHBondContact O-N 3.01Å; I355-Q359 HydrophobicContact CG2-CG 4.25Å; I355-Q359 WeakPolarHBondContact O-CB 3.45Å; I355-Q359 VanDerWaalsContact O-CG 3.32Å; I355-Q359 WeakPolarHBondContact O-CG 3.49Å; I355-Q359 PolarHBondContact O-N 3.4Å
356G97.8Very high96.4Very high0 Ų031.4 Ų31.40%018%0.176CC..Hα-helixtrans-58.4-43.8-179.500000112.8T174 G352 L353 Q359 L360T174-G356 WeakPolarHBondContact OG1-CA 3.33Å; G352-G356 PolarHBondContact O-N 3.32Å; L353-G356 PolarHBondContact O-N 3.41Å; G356-Q359 PolarHBondContact O-N 3.41Å; G356-L360 PolarHBondContact O-N 2.89Å
357M98.1Very high96.5Very high1 Ų131.8 Ų31.81%0.00518%0.177CC..Hα-helixtrans-68.6-38.2177.8-68-59.1-63.400112.6I74 I76 T85 L90 V100 M164 L353 E354 I355 L360 C361I74-M357 HydrophobicContact CD1-CE 4.19Å; I74-M357 HydrophobicContact CG2-CE 4.1Å; I76-M357 HydrophobicContact CD1-CE 4.45Å; T85-M357 HydrophobicContact CG2-CE 3.96Å; T85-M357 HydrophobicContact CG2-SD 4.19Å; L90-M357 HydrophobicContact CD2-CB 3.91Å; V100-M357 HydrophobicContact CG2-CE 3.85Å; M164-M357 HydrophobicContact CE-SD 4.05Å; M164-M357 HydrophobicContact SD-SD 4.37Å; L353-M357 HydrophobicContact CD1-CG 4.37Å; L353-M357 WeakPolarHBondContact O-CG 3.18Å; L353-M357 PolarHBondContact O-N 3.07Å; E354-M357 PolarHBondContact O-N 3.49Å; I355-M357 VanDerWaalsContact C-N 3.33Å; I355-M357 PolarHBondContact O-N 2.87Å; M357-L360 WeakPolarHBondContact O-CB 3.36Å; M357-L360 PolarHBondContact O-N 2.97Å; M357-C361 PolarHBondContact O-N 3.33Å
358C98.6Very high96.4Very high18 Ų1835 Ų3512%0.12219%0.194CC..Hα-helixtrans-67.4-38.7173.6-74.40000112.4C93 E354 I355 L360 C361 A362C93-C358 HydrophobicContact CB-CB 3.73Å; C93-C358 WeakPolarHBondContact CB-SG 3.38Å; C93-C358 WeakPolarHBondContact SG-CA 3.24Å; C93-C358 WeakPolarHBondContact SG-CB 3.45Å; C93-C358 CovalentContact SG-SG 2.04Å; C93-C358 PolarHBondContact SG-SG 3.47Å; E354-C358 WeakPolarHBondContact O-CB 3.29Å; E354-C358 PolarHBondContact O-N 2.92Å; E354-C358 PolarHBondContact O-SG 2.91Å; E354-C358 VanDerWaalsContact O-SG 3.35Å; I355-C358 PolarHBondContact O-N 3.01Å; C358-L360 VanDerWaalsContact C-N 3.35Å; C358-C361 PolarHBondContact O-N 2.91Å; C358-A362 WeakPolarHBondContact O-CB 3.37Å; C358-A362 PolarHBondContact O-N 3.34Å
359Q98.7Very high96.5Very high73 Ų7339.4 Ų39.434%0.34122%0.215SC..Hα-helixtrans-62.2-42.6172.1-74.7-179.5-22.400111.5L172 F173 I355 G356 A362 R363L172-Q359 HydrophobicContact CD2-CB 3.84Å; F173-Q359 PolarHBondContact O-OE1 3.4Å; I355-Q359 HydrophobicContact CG2-CG 4.25Å; I355-Q359 WeakPolarHBondContact O-CB 3.45Å; I355-Q359 VanDerWaalsContact O-CG 3.32Å; I355-Q359 WeakPolarHBondContact O-CG 3.49Å; I355-Q359 PolarHBondContact O-N 3.4Å; G356-Q359 PolarHBondContact O-N 3.41Å; Q359-A362 PolarHBondContact O-N 3.44Å; Q359-R363 WeakPolarHBondContact O-CB 3.33Å; Q359-R363 PolarHBondContact O-N 2.95Å
360L98.8Very high96.8Very high0 Ų039.2 Ų39.20%022%0.219CC..Hα-helixtrans-58.2-51.6173.8177.255.2000109.9I74 A112 V114 V137 L162 L172 G356 M357 C358 A362 R363 L364I74-L360 HydrophobicContact CD1-CD2 4.04Å; I74-L360 HydrophobicContact CD1-CG 4.13Å; I74-L360 HydrophobicContact CG1-CD2 4.37Å; I74-L360 HydrophobicContact CG2-CD2 3.79Å; A112-L360 HydrophobicContact CB-CD1 4.22Å; V114-L360 HydrophobicContact CG2-CD2 3.71Å; V137-L360 HydrophobicContact CG2-CD1 3.95Å; L162-L360 HydrophobicContact CD1-CD1 4.2Å; L172-L360 HydrophobicContact CD1-CB 3.85Å; L172-L360 HydrophobicContact CD1-CD1 3.8Å; L172-L360 HydrophobicContact CD1-CG 4.31Å; G356-L360 PolarHBondContact O-N 2.89Å; M357-L360 WeakPolarHBondContact O-CB 3.36Å; M357-L360 PolarHBondContact O-N 2.97Å; C358-L360 VanDerWaalsContact C-N 3.35Å; L360-A362 VanDerWaalsContact C-N 3.33Å; L360-A362 PolarHBondContact O-N 2.89Å; L360-R363 WeakPolarHBondContact O-CB 3.5Å; L360-R363 PolarHBondContact O-N 3.25Å; L360-R363 VanDerWaalsContact O-N 3.12Å; L360-L364 HydrophobicContact CD1-CD1 4.2Å; L360-L364 HydrophobicContact CD1-CD2 4.21Å; L360-L364 HydrophobicContact CD1-CG 4.06Å; L360-L364 HydrophobicContact CG-CD1 4.2Å; L360-L364 HydrophobicContact CG-CG 4.45Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 2.89Å
361C98.8Very high97Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-58.8-44-179.9-176.70000112.5I74 L90 L96 C98 M357 C358 R363 L364 R365I74-C361 HydrophobicContact CD1-CB 4.47Å; L90-C361 HydrophobicContact CD2-CB 4.19Å; L96-C361 HydrophobicContact CB-CB 4.39Å; L96-C361 WeakPolarHBondContact CB-SG 3.32Å; L96-C361 HydrophobicContact CD1-CB 4.2Å; C98-C361 HydrophobicContact CB-CB 3.82Å; C98-C361 WeakPolarHBondContact CB-SG 3.37Å; C98-C361 WeakPolarHBondContact SG-CA 3.32Å; C98-C361 WeakPolarHBondContact SG-CB 3.47Å; C98-C361 CovalentContact SG-SG 2.02Å; C98-C361 PolarHBondContact SG-SG 2.95Å; M357-C361 PolarHBondContact O-N 3.33Å; C358-C361 PolarHBondContact O-N 2.91Å; C361-R363 VanDerWaalsContact C-N 3.32Å; C361-R363 PolarHBondContact O-N 3.43Å; C361-L364 PolarHBondContact O-N 3.49Å; C361-R365 WeakPolarHBondContact O-CG 3.49Å; C361-R365 PolarHBondContact O-N 3.47Å
362A98.7Very high97.2Very high42 Ų4246 Ų4635%0.34725%0.248SC..Hα-helixtrans-60.5-42.4175.800000111.6L96 C358 Q359 L360 R365 A366L96-A362 HydrophobicContact CD1-CB 3.81Å; C358-A362 WeakPolarHBondContact O-CB 3.37Å; C358-A362 PolarHBondContact O-N 3.34Å; Q359-A362 PolarHBondContact O-N 3.44Å; L360-A362 VanDerWaalsContact C-N 3.33Å; L360-A362 PolarHBondContact O-N 2.89Å; A362-R365 PolarHBondContact O-N 2.89Å; A362-A366 PolarHBondContact O-N 3.19Å
363R98.6Very high97.3Very high75 Ų7546.4 Ų46.428%0.28325%0.25SS..Hα-helixtrans-61.7-43.8176179.458.8-173.6-91.7-3.9111.9L162 L172 Q359 L360 C361 R365 A366 D367L162-R363 HydrophobicContact CD1-CG 3.88Å; L162-R363 HydrophobicContact CD2-CG 4.5Å; L162-R363 VanDerWaalsContact CD2-NH1 3.27Å; L172-R363 HydrophobicContact CD2-CB 4.44Å; Q359-R363 WeakPolarHBondContact O-CB 3.33Å; Q359-R363 PolarHBondContact O-N 2.95Å; L360-R363 WeakPolarHBondContact O-CB 3.5Å; L360-R363 PolarHBondContact O-N 3.25Å; L360-R363 VanDerWaalsContact O-N 3.12Å; C361-R363 VanDerWaalsContact C-N 3.32Å; C361-R363 PolarHBondContact O-N 3.43Å; R363-R365 VanDerWaalsContact C-N 3.3Å; R363-R365 PolarHBondContact O-N 3.48Å; R363-A366 PolarHBondContact O-N 3Å; R363-D367 IonicContact CZ-OD2 3.58Å; R363-D367 IonicContact NE-OD1 3.89Å; R363-D367 IonicContact NE-OD2 3.37Å; R363-D367 PolarHBondContact NE-OD2 3.44Å; R363-D367 IonicContact NH2-OD2 3.92Å; R363-D367 PolarHBondContact NH2-OD2 2.94Å; R363-D367 VanDerWaalsContact NH2-OD2 3.09Å; R363-D367 WeakPolarHBondContact O-CB 3.36Å; R363-D367 PolarHBondContact O-N 3.36Å
364L98.6Very high97.4Very high4 Ų454.8 Ų54.82%0.02128%0.283CS..Hα-helixtrans-65.3-34.7177.1-60177.8000112.5L72 I74 A111 A112 H135 L360 C361 D367 N368L72-L364 HydrophobicContact CD1-CB 3.83Å; L72-L364 WeakPolarHBondContact CD1-O 3.36Å; I74-L364 HydrophobicContact CD1-CD1 4.19Å; I74-L364 HydrophobicContact CG1-CD1 3.64Å; A111-L364 HydrophobicContact CB-CD1 4.14Å; A111-L364 HydrophobicContact CB-CD2 4.4Å; A112-L364 HydrophobicContact CB-CD1 3.67Å; A112-L364 HydrophobicContact CB-CD2 3.86Å; A112-L364 HydrophobicContact CB-CG 4.35Å; H135-L364 HydrophobicContact CB-CD2 4.24Å; H135-L364 WeakPolarHBondContact CD2-CD2 3.28Å; L360-L364 HydrophobicContact CD1-CD1 4.2Å; L360-L364 HydrophobicContact CD1-CD2 4.21Å; L360-L364 HydrophobicContact CD1-CG 4.06Å; L360-L364 HydrophobicContact CG-CD1 4.2Å; L360-L364 HydrophobicContact CG-CG 4.45Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 2.89Å; C361-L364 PolarHBondContact O-N 3.49Å; L364-D367 PolarHBondContact O-N 3.49Å; L364-N368 PolarHBondContact O-N 3.04Å; L364-N368 VanDerWaalsContact O-N 3.1Å
365R97.4Very high97.4Very high75 Ų7555.5 Ų55.528%0.28329%0.29SS..Hα-helixtrans-66.4-42.8174-74.2-69.5175.9-168.33.2112N70 L72 L96 N97 C361 A362 R363 D367 N368N70-R365 PolarHBondContact O-NH1 3.26Å; N70-R365 PolarHBondContact O-NH2 3.4Å; L72-R365 HydrophobicContact CD1-CG 3.92Å; L96-R365 PolarHBondContact O-NE 3.09Å; L96-R365 PolarHBondContact O-NH2 3.08Å; N97-R365 PolarHBondContact O-NH2 3.48Å; C361-R365 WeakPolarHBondContact O-CG 3.49Å; C361-R365 PolarHBondContact O-N 3.47Å; A362-R365 PolarHBondContact O-N 2.89Å; R363-R365 VanDerWaalsContact C-N 3.3Å; R363-R365 PolarHBondContact O-N 3.48Å; R365-D367 VanDerWaalsContact C-N 3.3Å; R365-D367 PolarHBondContact O-N 3.22Å; R365-N368 WeakPolarHBondContact O-CB 3.47Å; R365-N368 PolarHBondContact O-N 3.16Å
366A97.6Very high97.5Very high76 Ų7654 Ų5463%0.62828%0.283SS*.Hα-helixtrans-63.4-37.9175.800000112A362 R363A362-A366 PolarHBondContact O-N 3.19Å; R363-A366 PolarHBondContact O-N 3Å
367D97.5Very high97.4Very high33 Ų3361.5 Ų61.518%0.17632%0.319CS..THydrogen-bonded Turntrans-90.36.8-177-69.2-0.1000113.2H135 R363 L364 R365 D369 V370H135-D367 IonicContact CE1-OD2 2.85Å; H135-D367 PolarHBondContact CE1-OD2 3.31Å; H135-D367 IonicContact NE2-OD2 3.09Å; H135-D367 PolarHBondContact NE2-OD2 3.49Å; R363-D367 IonicContact CZ-OD2 3.58Å; R363-D367 IonicContact NE-OD1 3.89Å; R363-D367 IonicContact NE-OD2 3.37Å; R363-D367 PolarHBondContact NE-OD2 3.44Å; R363-D367 IonicContact NH2-OD2 3.92Å; R363-D367 PolarHBondContact NH2-OD2 2.94Å; R363-D367 VanDerWaalsContact NH2-OD2 3.09Å; R363-D367 WeakPolarHBondContact O-CB 3.36Å; R363-D367 PolarHBondContact O-N 3.36Å; L364-D367 PolarHBondContact O-N 3.49Å; R365-D367 VanDerWaalsContact C-N 3.3Å; R365-D367 PolarHBondContact O-N 3.22Å; D367-D369 VanDerWaalsContact C-N 3.28Å; D367-D369 PolarHBondContact O-N 3.24Å; D367-V370 HydrophobicContact CB-CB 4.37Å; D367-V370 HydrophobicContact CB-CG2 4.12Å; D367-V370 VanDerWaalsContact O-CB 3.27Å; D367-V370 WeakPolarHBondContact O-CB 3.49Å; D367-V370 PolarHBondContact O-N 3.19Å
368N94.6Very high97.4Very high80 Ų8061.8 Ų61.843%0.42832%0.321SS..THydrogen-bonded Turntrans-60.4-33.1-171.6-177.360.8000114.1L72 L364 R365L72-N368 WeakPolarHBondContact CD2-OD1 3.12Å; L364-N368 PolarHBondContact O-N 3.04Å; L364-N368 VanDerWaalsContact O-N 3.1Å; R365-N368 WeakPolarHBondContact O-CB 3.47Å; R365-N368 PolarHBondContact O-N 3.16Å
369D94.6Very high97.4Very high133 Ų13361 Ų6171%0.71132%0.315SS*.THydrogen-bonded Turntrans-94.2-2.5179.5-61.6-23.7000112.6D367 Q371D367-D369 VanDerWaalsContact C-N 3.28Å; D367-D369 PolarHBondContact O-N 3.24Å; D369-Q371 PolarHBondContact O-N 3.31Å; D369-Q371 PolarHBondContact O-NE2 3.02Å
370V96.8Very high97.3Very high55 Ų5560.9 Ų60.933%0.33332%0.317SS..  trans-73.5119.3179.9178.40000109.7N133 D367 V372 I373N133-V370 VanDerWaalsContact CB-O 3.26Å; N133-V370 WeakPolarHBondContact CB-O 3.33Å; D367-V370 HydrophobicContact CB-CB 4.37Å; D367-V370 HydrophobicContact CB-CG2 4.12Å; D367-V370 VanDerWaalsContact O-CB 3.27Å; D367-V370 WeakPolarHBondContact O-CB 3.49Å; D367-V370 PolarHBondContact O-N 3.19Å; V370-V372 WeakPolarHBondContact CG1-O 3.32Å; V370-I373 HydrophobicContact CG1-CG1 4.14Å
371Q95.8Very high97.3Very high144 Ų14462.2 Ų62.267%0.67332%0.324SS*.SBendtrans-76.8-32-176.6-59.8-57.4-58.400113.1P132 D369P132-Q371 CarbonylContact C-O 3.58Å; P132-Q371 WeakPolarHBondContact CB-O 3.46Å; D369-Q371 PolarHBondContact O-N 3.31Å; D369-Q371 PolarHBondContact O-NE2 3.02Å
372V96.9Very high97.3Very high70 Ų7062.2 Ų62.242%0.42432%0.324SS..  trans-137.2119.3-177.3-174.60000109.7P132 V370 Y374P132-V372 HydrophobicContact CB-CG2 4.32Å; V370-V372 WeakPolarHBondContact CG1-O 3.32Å; V372-Y374 HydrophobicContact CB-CE2 4.34Å; V372-Y374 HydrophobicContact CG1-CE1 4.27Å; V372-Y374 HydrophobicContact CG1-CE2 3.9Å
373I97.1Very high97.2Very high10 Ų1062.1 Ų62.15%0.05132%0.321CS..PPolyproline II helixtrans-97.8125177.1-70.5161.5000109.8R130 P132 N133 H135 T161 V370R130-I373 PolarHBondContact NH2-O 2.88Å; P132-I373 PolarHBondContact O-N 3.39Å; N133-I373 VanDerWaalsContact C-CD1 3.41Å; H135-I373 VanDerWaalsContact CD2-CD1 3.46Å; H135-I373 WeakPolarHBondContact CD2-CD1 3.42Å; H135-I373 VanDerWaalsContact CE1-CG2 3.4Å; H135-I373 WeakPolarHBondContact CE1-CG2 3.3Å; H135-I373 VanDerWaalsContact NE2-CD1 3.33Å; H135-I373 WeakPolarHBondContact NE2-CD1 3.22Å; T161-I373 HydrophobicContact CG2-CG2 3.8Å; V370-I373 HydrophobicContact CG1-CG1 4.14Å
374Y96.2Very high97.2Very high175 Ų17565.2 Ų65.269%0.68634%0.336SS*.PPolyproline II helixtrans-98.8151170.3-61.1-81.4000110.8V372V372-Y374 HydrophobicContact CB-CE2 4.34Å; V372-Y374 HydrophobicContact CG1-CE1 4.27Å; V372-Y374 HydrophobicContact CG1-CE2 3.9Å
375P97.8Very high97.1Very high43 Ų4365.4 Ų65.428%0.27934%0.337SS..PPolyproline II helixtrans-60.5143172.8-21.533.6000113.2Y160 A379 D380Y160-P375 WeakPolarHBondContact O-CB 3.5Å; Y160-P375 WeakPolarHBondContact O-CG 3.29Å; P375-A379 HydrophobicContact CB-CB 4.43Å; P375-D380 HydrophobicContact CB-CB 4.07Å
376T98.1Very high97.2Very high26 Ų2661.9 Ų61.916%0.1632%0.324CS..PPolyproline II helixtrans-70.5167166.758.60000110.9T161 L162 D171 S378 A379 D380T161-T376 PolarHBondContact O-N 3.1Å; T161-T376 PolarHBondContact O-OG1 3.35Å; L162-T376 HydrophobicContact CD2-CG2 3.8Å; D171-T376 VanDerWaalsContact CG-OG1 3.3Å; D171-T376 WeakPolarHBondContact OD1-CB 3.28Å; D171-T376 WeakPolarHBondContact OD1-CG2 3.4Å; D171-T376 PolarHBondContact OD1-OG1 3.07Å; D171-T376 PolarHBondContact OD2-OG1 3.42Å; T376-S378 PolarHBondContact O-N 2.65Å; T376-S378 PolarHBondContact OG1-OG 2.82Å; T376-A379 PolarHBondContact O-N 3.22Å; T376-A379 VanDerWaalsContact O-N 3.08Å; T376-A379 VanDerWaalsContact OG1-CB 3.24Å; T376-A379 WeakPolarHBondContact OG1-CB 3.22Å; T376-A379 PolarHBondContact OG1-N 3.33Å; T376-D380 PolarHBondContact O-N 3.36Å
377E96.4Very high97.1Very high158 Ų15861.3 Ų61.374%0.73831%0.309SS*.Hα-helixtrans-56.1-38.9177.6-169.8-164.2147.700112.2K389E377-K389 IonicContact OE1-NZ 2.91Å; E377-K389 PolarHBondContact OE1-NZ 3.45Å
378S97.5Very high97.1Very high8 Ų862.6 Ų62.66%0.05633%0.331CS..Hα-helixtrans-73.4-28.8179.966.70000112.7T163 D171 T376T163-S378 WeakPolarHBondContact CG2-O 3.3Å; T163-S378 WeakPolarHBondContact CG2-OG 3.42Å; T163-S378 WeakPolarHBondContact OG1-CB 3.47Å; T163-S378 PolarHBondContact OG1-OG 2.95Å; D171-S378 VanDerWaalsContact CG-OG 3.24Å; D171-S378 PolarHBondContact OD1-OG 3.18Å; D171-S378 PolarHBondContact OD2-OG 2.84Å; T376-S378 PolarHBondContact O-N 2.65Å; T376-S378 PolarHBondContact OG1-OG 2.82Å
379A98.3Very high97.2Very high0 Ų062.7 Ų62.70%033%0.327CS..Hα-helixtrans-94-23-174.600000114.7T163 P375 T376 D381T163-A379 HydrophobicContact CG2-CB 4.03Å; P375-A379 HydrophobicContact CB-CB 4.43Å; T376-A379 PolarHBondContact O-N 3.22Å; T376-A379 VanDerWaalsContact O-N 3.08Å; T376-A379 VanDerWaalsContact OG1-CB 3.24Å; T376-A379 WeakPolarHBondContact OG1-CB 3.22Å; T376-A379 PolarHBondContact OG1-N 3.33Å; A379-D381 PolarHBondContact O-N 2.86Å
380D97.7Very high97.4Very high72 Ų7257.2 Ų57.239%0.38530%0.299SS..Hα-helixtrans-61.1-42.4-179.7-173.564.2000112.3K157 N158 P375 T376K157-D380 CarbonylContact C-O 3.57Å; K157-D380 WeakPolarHBondContact CA-O 3.23Å; N158-D380 PolarHBondContact N-O 3.35Å; N158-D380 PolarHBondContact OD1-OD1 3.39Å; P375-D380 HydrophobicContact CB-CB 4.07Å; T376-D380 PolarHBondContact O-N 3.36Å
381D98.1Very high97.4Very high28 Ų2859.8 Ų59.815%0.1531%0.308CS..BIsolated β-bridgetrans-138.889172.5-172-20.5000110A156 K157 A379 S383 K384 W385A156-D381 CarbonylContact O-C 3.6Å; A156-D381 WeakPolarHBondContact O-CA 3.4Å; K157-D381 WeakPolarHBondContact CE-OD2 3.48Å; K157-D381 HydrophobicContact CG-CB 4.39Å; K157-D381 IonicContact NZ-OD2 3.79Å; A379-D381 PolarHBondContact O-N 2.86Å; D381-S383 PolarHBondContact O-N 3.33Å; D381-S383 WeakPolarHBondContact OD1-CB 3.36Å; D381-S383 PolarHBondContact OD1-N 2.91Å; D381-S383 VanDerWaalsContact OD1-N 3.08Å; D381-K384 HydrophobicContact CB-CB 3.93Å; D381-K384 VanDerWaalsContact CG-CB 3.49Å; D381-K384 PolarHBondContact O-N 3.48Å; D381-K384 PolarHBondContact OD1-N 3.32Å; D381-W385 PolarHBondContact O-N 2.88Å
382V98.1Very high97.5Very high0 Ų054.2 Ų54.20%028%0.284CS..Hα-helixtrans-66.5-20.3-179.8-63.20000112.2F138 F152 A156 Y160 T163 F386F138-V382 HydrophobicContact CB-CG1 4.19Å; F138-V382 HydrophobicContact CD1-CG1 4.48Å; F138-V382 HydrophobicContact CG-CG1 4.16Å; F152-V382 HydrophobicContact CE2-CG2 4.13Å; F152-V382 HydrophobicContact CZ-CG2 4.22Å; A156-V382 HydrophobicContact CB-CG2 4.45Å; A156-V382 WeakPolarHBondContact O-CG2 3.22Å; A156-V382 PolarHBondContact O-N 2.82Å; Y160-V382 HydrophobicContact CD2-CG1 3.89Å; Y160-V382 HydrophobicContact CD2-CG2 4.08Å; Y160-V382 HydrophobicContact CE2-CG2 4.07Å; T163-V382 HydrophobicContact CG2-CG1 4Å; V382-F386 WeakPolarHBondContact O-CA 3.43Å; V382-F386 WeakPolarHBondContact O-CB 3.46Å; V382-F386 PolarHBondContact O-N 3.37Å
383S97.5Very high97.5Very high39 Ų3953.3 Ų53.327%0.27328%0.276SS..Iπ-helixtrans-71.7-47.6174.1-174.30000110.8D381 W385 I387 G388D381-S383 PolarHBondContact O-N 3.33Å; D381-S383 WeakPolarHBondContact OD1-CB 3.36Å; D381-S383 PolarHBondContact OD1-N 2.91Å; D381-S383 VanDerWaalsContact OD1-N 3.08Å; S383-W385 VanDerWaalsContact C-N 3.35Å; S383-W385 PolarHBondContact O-N 3.48Å; S383-I387 WeakPolarHBondContact O-CB 3.24Å; S383-I387 PolarHBondContact O-N 3.37Å; S383-I387 VanDerWaalsContact O-N 3.16Å; S383-G388 PolarHBondContact O-N 3.29Å
384K97.8Very high97.5Very high140 Ų14055.9 Ų55.961%0.60929%0.294SS*.Iπ-helixtrans-60.4-43.2175.1-177.7-176.7176.9-172.90111.9D381 G388 K389D381-K384 HydrophobicContact CB-CB 3.93Å; D381-K384 VanDerWaalsContact CG-CB 3.49Å; D381-K384 PolarHBondContact O-N 3.48Å; D381-K384 PolarHBondContact OD1-N 3.32Å; K384-G388 CarbonylContact O-C 3.54Å; K384-G388 VanDerWaalsContact O-CA 3.23Å; K384-G388 WeakPolarHBondContact O-CA 3.17Å; K384-G388 PolarHBondContact O-N 2.98Å; K384-K389 PolarHBondContact O-N 3.47Å
385W97.9Very high97.5Very high9 Ų950.2 Ų50.23%0.03428%0.275CS..Iπ-helixtrans-74.6-63.4178.416771.9000112F138 T163 R167 D169 D381 S383 K389F138-W385 HydrophobicContact CD1-CZ3 4.03Å; F138-W385 AromaticContact CE1-CZ3 4Å; F138-W385 HydrophobicContact CE1-CZ3 4Å; T163-W385 HydrophobicContact CG2-CE3 3.74Å; T163-W385 HydrophobicContact CG2-CH2 4Å; T163-W385 HydrophobicContact CG2-CZ3 3.42Å; T163-W385 VanDerWaalsContact CG2-CZ3 3.42Å; R167-W385 HydrophobicContact CB-CZ2 4.16Å; R167-W385 PolarHBondContact NH1-O 2.91Å; D169-W385 PolarHBondContact O-NE1 3.45Å; D169-W385 PolarHBondContact OD1-NE1 3.15Å; D381-W385 PolarHBondContact O-N 2.88Å; S383-W385 VanDerWaalsContact C-N 3.35Å; S383-W385 PolarHBondContact O-N 3.48Å; W385-K389 VanDerWaalsContact O-CB 3.3Å; W385-K389 WeakPolarHBondContact O-CB 3.3Å; W385-K389 PolarHBondContact O-N 3.04Å; W385-K389 VanDerWaalsContact O-N 3.08Å
386F98Very high97.5Very high1 Ų149.2 Ų49.20%0.00427%0.266CS..Iπ-helixtrans-71.3-44.4-166.4-160.7-108.1000113F138 L140 A144 V147 F152 Y166 R167 V382 S390F138-F386 HydrophobicContact CE1-CD2 4.15Å; F138-F386 HydrophobicContact CE1-CE2 4.36Å; F138-F386 HydrophobicContact CE1-CG 4.26Å; F138-F386 HydrophobicContact CZ-CD1 4.34Å; F138-F386 HydrophobicContact CZ-CG 4.37Å; L140-F386 HydrophobicContact CD2-CD1 4.37Å; L140-F386 HydrophobicContact CD2-CE1 3.6Å; L140-F386 HydrophobicContact CD2-CZ 4.04Å; L140-F386 HydrophobicContact CG-CE1 4.44Å; L140-F386 HydrophobicContact CG-CZ 4.42Å; A144-F386 HydrophobicContact CB-CD1 4.29Å; A144-F386 HydrophobicContact CB-CE1 4.3Å; V147-F386 HydrophobicContact CG1-CD1 4.02Å; V147-F386 HydrophobicContact CG1-CE1 4.16Å; F152-F386 HydrophobicContact CE2-CB 4.48Å; F152-F386 HydrophobicContact CE2-CD1 4.4Å; F152-F386 HydrophobicContact CZ-CB 4.28Å; Y166-F386 HydrophobicContact CE1-CE2 4.41Å; Y166-F386 AromaticContact CE1-CZ 3.88Å; Y166-F386 HydrophobicContact CE1-CZ 3.88Å; R167-F386 HydrophobicContact CG-CD2 4.46Å; R167-F386 HydrophobicContact CG-CE2 4.02Å; R167-F386 PolarHBondContact NH1-O 2.87Å; V382-F386 WeakPolarHBondContact O-CA 3.43Å; V382-F386 WeakPolarHBondContact O-CB 3.46Å; V382-F386 PolarHBondContact O-N 3.37Å; F386-S390 VanDerWaalsContact O-CB 3.29Å; F386-S390 WeakPolarHBondContact O-CB 3.38Å
387I97.1Very high97.4Very high63 Ų6348 Ų4832%0.32326%0.259SS..Iπ-helixtrans-87.5-50.5176.9-61.4-177.8000110.3A144 V147 F152 S383 K389 S390A144-I387 HydrophobicContact CB-CG1 4.39Å; V147-I387 HydrophobicContact CG2-CD1 4.17Å; F152-I387 HydrophobicContact CD1-CD1 3.95Å; F152-I387 HydrophobicContact CE1-CD1 3.29Å; F152-I387 HydrophobicContact CE1-CG1 3.82Å; F152-I387 HydrophobicContact CZ-CD1 3.82Å; F152-I387 HydrophobicContact CZ-CG1 3.82Å; S383-I387 WeakPolarHBondContact O-CB 3.24Å; S383-I387 PolarHBondContact O-N 3.37Å; S383-I387 VanDerWaalsContact O-N 3.16Å; I387-K389 VanDerWaalsContact C-N 3.31Å; I387-K389 PolarHBondContact O-N 3Å; I387-S390 WeakPolarHBondContact O-CB 3.43Å; I387-S390 PolarHBondContact O-N 3.14Å; I387-S390 VanDerWaalsContact O-N 3.07Å; I387-S390 PolarHBondContact O-OG 3.44Å
388G97.2Very high97.4Very high61 Ų6143.6 Ų43.663%0.62924%0.24SC*.THydrogen-bonded Turntrans-63-32.5-173.500000114.2S383 K384S383-G388 PolarHBondContact O-N 3.29Å; K384-G388 CarbonylContact O-C 3.54Å; K384-G388 VanDerWaalsContact O-CA 3.23Å; K384-G388 WeakPolarHBondContact O-CA 3.17Å; K384-G388 PolarHBondContact O-N 2.98Å
389K97.4Very high97.3Very high82 Ų8250.1 Ų50.136%0.35726%0.264SS..THydrogen-bonded Turntrans-105.222.5174.9-53.5-179-173.3179.90112.8R167 E377 K384 W385 I387 E391R167-K389 VanDerWaalsContact NH1-C 3.35Å; R167-K389 PolarHBondContact NH1-O 3.34Å; R167-K389 PolarHBondContact NH2-O 3.01Å; E377-K389 IonicContact OE1-NZ 2.91Å; E377-K389 PolarHBondContact OE1-NZ 3.45Å; K384-K389 PolarHBondContact O-N 3.47Å; W385-K389 VanDerWaalsContact O-CB 3.3Å; W385-K389 WeakPolarHBondContact O-CB 3.3Å; W385-K389 PolarHBondContact O-N 3.04Å; W385-K389 VanDerWaalsContact O-N 3.08Å; I387-K389 VanDerWaalsContact C-N 3.31Å; I387-K389 PolarHBondContact O-N 3Å; K389-E391 VanDerWaalsContact C-N 3.35Å
390S96.9Very high97.2Very high17 Ų1751.1 Ų51.112%0.11927%0.27CS..  trans-73.6-24-174.663.70000114.4K274 F386 I387 C392K274-S390 VanDerWaalsContact CB-O 3.25Å; K274-S390 WeakPolarHBondContact CB-O 3.45Å; K274-S390 PolarHBondContact N-O 2.79Å; F386-S390 VanDerWaalsContact O-CB 3.29Å; F386-S390 WeakPolarHBondContact O-CB 3.38Å; I387-S390 WeakPolarHBondContact O-CB 3.43Å; I387-S390 PolarHBondContact O-N 3.14Å; I387-S390 VanDerWaalsContact O-N 3.07Å; I387-S390 PolarHBondContact O-OG 3.44Å; S390-C392 VanDerWaalsContact CB-SG 3.52Å; S390-C392 PolarHBondContact O-N 2.89Å; S390-C392 PolarHBondContact OG-N 2.84Å; S390-C392 PolarHBondContact OG-SG 3.36Å
391E96.8Very high97Very high110 Ų11048.2 Ų48.251%0.51426%0.255SS..  trans49.332.5-174.4-53.3167.3-149.900111.9K274 K389K274-E391 HydrophobicContact CB-CB 4.15Å; K274-E391 HydrophobicContact CD-CG 4.49Å; K274-E391 WeakPolarHBondContact CD-OE1 3.37Å; K274-E391 WeakPolarHBondContact CE-OE1 3.11Å; K274-E391 IonicContact NZ-OE1 3.02Å; K274-E391 PolarHBondContact NZ-OE1 3.42Å; K389-E391 VanDerWaalsContact C-N 3.35Å
392C97.8Very high96.3Very high27 Ų2752 Ų5218%0.18228%0.275CS..  trans-70.7134.8179.1-68.50000111.6V272 C273 S390 P394V272-C392 CarbonylContact O-C 3.6Å; V272-C392 VanDerWaalsContact O-CA 3.23Å; V272-C392 WeakPolarHBondContact O-CA 3.3Å; C273-C392 HydrophobicContact CB-CB 4.13Å; C273-C392 WeakPolarHBondContact CB-SG 3.26Å; C273-C392 WeakPolarHBondContact SG-CB 3.39Å; C273-C392 CovalentContact SG-SG 2.03Å; C273-C392 PolarHBondContact SG-SG 2.98Å; S390-C392 VanDerWaalsContact CB-SG 3.52Å; S390-C392 PolarHBondContact O-N 2.89Å; S390-C392 PolarHBondContact OG-N 2.84Å; S390-C392 PolarHBondContact OG-SG 3.36Å; C392-P394 WeakPolarHBondContact O-CD 3.38Å
393I97.6Very high94.4Very high50 Ų5056.3 Ų56.326%0.25630%0.295SS..BIsolated β-bridgetrans-107.8104.5176.7-48.8174.8000109.1V272 K295 Y396V272-I393 HydrophobicContact CG1-CD1 4.42Å; V272-I393 PolarHBondContact O-N 2.83Å; K295-I393 HydrophobicContact CD-CD1 3.98Å; I393-Y396 HydrophobicContact CB-CD2 4.12Å; I393-Y396 HydrophobicContact CD1-CD2 4.1Å; I393-Y396 HydrophobicContact CD1-CE2 4.04Å; I393-Y396 HydrophobicContact CG2-CD2 3.68Å; I393-Y396 HydrophobicContact CG2-CG 4.37Å
394P96.4Very high92.2Very high65 Ų6563.2 Ų63.242%0.42232%0.323SS..THydrogen-bonded Turntrans-69.2152.4175.830.3-34.7000110.2C392 Y396 Y399C392-P394 WeakPolarHBondContact O-CD 3.38Å; P394-Y396 PolarHBondContact O-N 3.48Å; P394-Y399 VanDerWaalsContact O-CE2 3.26Å; P394-Y399 WeakPolarHBondContact O-CE2 3.47Å
395N97.2Very high89.4Confident55 Ų5564 Ų6429%0.29433%0.334SS..THydrogen-bonded Turntrans56.822.5174.9-57.4-47.9000114.7P214 K216 G397 L398 Y399P214-N395 PolarHBondContact O-N 2.88Å; K216-N395 VanDerWaalsContact CE-OD1 3.3Å; K216-N395 WeakPolarHBondContact CE-OD1 3.39Å; K216-N395 HydrophobicContact CG-CB 4.28Å; K216-N395 WeakPolarHBondContact CG-OD1 3.42Å; N395-G397 VanDerWaalsContact C-N 3.29Å; N395-G397 PolarHBondContact O-N 3.44Å; N395-L398 HydrophobicContact CB-CB 4.4Å; N395-L398 HydrophobicContact CB-CD1 4.07Å; N395-L398 WeakPolarHBondContact O-CA 3.28Å; N395-L398 WeakPolarHBondContact O-CB 3.26Å; N395-L398 PolarHBondContact O-N 2.88Å; N395-Y399 HydrophobicContact CB-CE2 4.04Å; N395-Y399 WeakPolarHBondContact O-CD2 3.32Å; N395-Y399 PolarHBondContact O-N 3.43Å
396Y97.4Very high86.5Confident23 Ų2368.3 Ų68.39%0.0937%0.366CS..Hα-helixtrans-53.4-44.6-174.2-169.2-119.7000113.4S215 V272 F294 K295 D312 I393 P394 L398 Y399 M400S215-Y396 PolarHBondContact O-N 2.91Å; V272-Y396 HydrophobicContact CB-CD1 4.24Å; V272-Y396 HydrophobicContact CB-CG 4.3Å; V272-Y396 HydrophobicContact CG1-CD1 3.96Å; V272-Y396 HydrophobicContact CG1-CE1 4.13Å; V272-Y396 HydrophobicContact CG1-CG 4.19Å; V272-Y396 HydrophobicContact CG2-CD1 3.64Å; V272-Y396 HydrophobicContact CG2-CE1 4.45Å; V272-Y396 HydrophobicContact CG2-CG 3.99Å; F294-Y396 AromaticContact CD1-CD1 3.77Å; F294-Y396 HydrophobicContact CD1-CD1 3.77Å; F294-Y396 HydrophobicContact CD1-CE1 4.42Å; F294-Y396 HydrophobicContact CE1-CD1 4.07Å; F294-Y396 HydrophobicContact CG-CD1 4.18Å; F294-Y396 HydrophobicContact CG-CE1 4.38Å; K295-Y396 HydrophobicContact CB-CE1 4.12Å; D312-Y396 WeakPolarHBondContact CB-OH 3.29Å; D312-Y396 PolarHBondContact OD2-OH 2.62Å; I393-Y396 HydrophobicContact CB-CD2 4.12Å; I393-Y396 HydrophobicContact CD1-CD2 4.1Å; I393-Y396 HydrophobicContact CD1-CE2 4.04Å; I393-Y396 HydrophobicContact CG2-CD2 3.68Å; I393-Y396 HydrophobicContact CG2-CG 4.37Å; P394-Y396 PolarHBondContact O-N 3.48Å; Y396-L398 VanDerWaalsContact C-N 3.28Å; Y396-L398 PolarHBondContact O-N 2.94Å; Y396-Y399 PolarHBondContact O-N 3Å; Y396-Y399 VanDerWaalsContact O-N 3.12Å; Y396-M400 HydrophobicContact CD1-CG 4.16Å; Y396-M400 HydrophobicContact CD1-SD 3.4Å; Y396-M400 WeakPolarHBondContact CD1-SD 3.38Å; Y396-M400 HydrophobicContact CD2-CG 4.42Å; Y396-M400 HydrophobicContact CE1-CE 4.3Å; Y396-M400 HydrophobicContact CE1-CG 4Å; Y396-M400 HydrophobicContact CE1-SD 3.05Å; Y396-M400 WeakPolarHBondContact CE1-SD 3.19Å; Y396-M400 HydrophobicContact CE2-CG 4.19Å; Y396-M400 HydrophobicContact CE2-SD 4.26Å; Y396-M400 HydrophobicContact CG-CG 4.41Å; Y396-M400 HydrophobicContact CG-SD 4.21Å; Y396-M400 VanDerWaalsContact CZ-SD 3.52Å; Y396-M400 WeakPolarHBondContact O-CG 3.48Å; Y396-M400 PolarHBondContact O-N 3.48Å
397G97.3Very high83.3Confident0 Ų074.1 Ų74.10%040%0.401CS..Hα-helixtrans-63-29.117700000113.9S215 N395 S401S215-G397 WeakPolarHBondContact O-CA 3.31Å; S215-G397 PolarHBondContact O-N 3.38Å; N395-G397 VanDerWaalsContact C-N 3.29Å; N395-G397 PolarHBondContact O-N 3.44Å; G397-S401 VanDerWaalsContact O-CB 3.23Å; G397-S401 WeakPolarHBondContact O-CB 3.3Å; G397-S401 PolarHBondContact O-N 2.89Å; G397-S401 VanDerWaalsContact O-N 3.13Å; G397-S401 PolarHBondContact O-OG 3.29Å
398L96.3Very high80.6Confident66 Ų6677 Ų7735%0.34642%0.424SS..Hα-helixtrans-69.1-47.7170.9-76.9166.9000110.6K216 V219 N395 Y396 M400 S401 N402K216-L398 HydrophobicContact CB-CD1 4.37Å; K216-L398 HydrophobicContact CB-CG 4.04Å; K216-L398 HydrophobicContact CD-CD1 4.45Å; K216-L398 HydrophobicContact CG-CD1 3.9Å; K216-L398 HydrophobicContact CG-CG 4.13Å; V219-L398 HydrophobicContact CB-CD2 4.28Å; V219-L398 HydrophobicContact CG1-CD2 3.74Å; V219-L398 HydrophobicContact CG2-CD2 4.2Å; N395-L398 HydrophobicContact CB-CB 4.4Å; N395-L398 HydrophobicContact CB-CD1 4.07Å; N395-L398 WeakPolarHBondContact O-CA 3.28Å; N395-L398 WeakPolarHBondContact O-CB 3.26Å; N395-L398 PolarHBondContact O-N 2.88Å; Y396-L398 VanDerWaalsContact C-N 3.28Å; Y396-L398 PolarHBondContact O-N 2.94Å; L398-M400 VanDerWaalsContact C-N 3.33Å; L398-M400 PolarHBondContact O-N 3.47Å; L398-S401 WeakPolarHBondContact O-CB 3.32Å; L398-S401 PolarHBondContact O-N 3.16Å; L398-S401 VanDerWaalsContact O-N 3.09Å; L398-N402 PolarHBondContact O-N 3.36Å; L398-N402 VanDerWaalsContact O-N 3.13Å
399Y94.8Very high77.9Confident144 Ų14479.4 Ų79.457%0.56543%0.431SS*.Hα-helixtrans-61.2-42.1179.2-61.5-50.2000112.3P394 N395 Y396 S401 N402P394-Y399 VanDerWaalsContact O-CE2 3.26Å; P394-Y399 WeakPolarHBondContact O-CE2 3.47Å; N395-Y399 HydrophobicContact CB-CE2 4.04Å; N395-Y399 WeakPolarHBondContact O-CD2 3.32Å; N395-Y399 PolarHBondContact O-N 3.43Å; Y396-Y399 PolarHBondContact O-N 3Å; Y396-Y399 VanDerWaalsContact O-N 3.12Å; Y399-S401 VanDerWaalsContact C-N 3.26Å; Y399-S401 PolarHBondContact O-N 2.82Å; Y399-N402 PolarHBondContact O-N 3.21Å
400M95.3Very high75.1Confident22 Ų2280 Ų8011%0.10845%0.445CS..Hα-helixtrans-72.1-18.7176.9-64.2-176.974.900113.8Y220 F294 A311 D312 P317 Y396 L398Y220-M400 HydrophobicContact CD2-CB 3.62Å; Y220-M400 HydrophobicContact CE2-CB 3.53Å; Y220-M400 HydrophobicContact CE2-CE 4.17Å; Y220-M400 WeakPolarHBondContact CE2-O 3.35Å; F294-M400 HydrophobicContact CD2-SD 4.16Å; F294-M400 HydrophobicContact CE2-SD 4.11Å; F294-M400 HydrophobicContact CZ-SD 4.45Å; A311-M400 HydrophobicContact CB-CE 3.54Å; A311-M400 VanDerWaalsContact O-CE 3.27Å; A311-M400 WeakPolarHBondContact O-CE 3.41Å; D312-M400 HydrophobicContact CB-CE 3.84Å; D312-M400 VanDerWaalsContact N-CE 3.32Å; P317-M400 WeakPolarHBondContact CD-O 3.42Å; Y396-M400 HydrophobicContact CD1-CG 4.16Å; Y396-M400 HydrophobicContact CD1-SD 3.4Å; Y396-M400 WeakPolarHBondContact CD1-SD 3.38Å; Y396-M400 HydrophobicContact CD2-CG 4.42Å; Y396-M400 HydrophobicContact CE1-CE 4.3Å; Y396-M400 HydrophobicContact CE1-CG 4Å; Y396-M400 HydrophobicContact CE1-SD 3.05Å; Y396-M400 WeakPolarHBondContact CE1-SD 3.19Å; Y396-M400 HydrophobicContact CE2-CG 4.19Å; Y396-M400 HydrophobicContact CE2-SD 4.26Å; Y396-M400 HydrophobicContact CG-CG 4.41Å; Y396-M400 HydrophobicContact CG-SD 4.21Å; Y396-M400 VanDerWaalsContact CZ-SD 3.52Å; Y396-M400 WeakPolarHBondContact O-CG 3.48Å; Y396-M400 PolarHBondContact O-N 3.48Å; L398-M400 VanDerWaalsContact C-N 3.33Å; L398-M400 PolarHBondContact O-N 3.47Å
401S93.9Very high72.4Confident10 Ų1087.5 Ų87.57%0.0748%0.483CS..Hα-helixtrans-86.2-22177.4-670000113.1Y220 G397 L398 Y399 E403Y220-S401 WeakPolarHBondContact CA-OG 3.41Å; G397-S401 VanDerWaalsContact O-CB 3.23Å; G397-S401 WeakPolarHBondContact O-CB 3.3Å; G397-S401 PolarHBondContact O-N 2.89Å; G397-S401 VanDerWaalsContact O-N 3.13Å; G397-S401 PolarHBondContact O-OG 3.29Å; L398-S401 WeakPolarHBondContact O-CB 3.32Å; L398-S401 PolarHBondContact O-N 3.16Å; L398-S401 VanDerWaalsContact O-N 3.09Å; Y399-S401 VanDerWaalsContact C-N 3.26Å; Y399-S401 PolarHBondContact O-N 2.82Å; S401-E403 VanDerWaalsContact C-N 3.27Å; S401-E403 PolarHBondContact O-N 2.8Å
402N83.5Confident69.3Low109 Ų10988.1 Ų88.158%0.58350%0.495SS*.SBendtrans-73.789.6173.3-67.6-19.3000107L398 Y399 Q404L398-N402 PolarHBondContact O-N 3.36Å; L398-N402 VanDerWaalsContact O-N 3.13Å; Y399-N402 PolarHBondContact O-N 3.21Å; N402-Q404 PolarHBondContact O-N 3.34Å
403E59.4Low66.6Low89 Ų8999.5 Ų99.542%0.41655%0.545SS..  trans-46.2113.7158.6-66.8177.3-168.600105Y227 S401 N405Y227-E403 PolarHBondContact OH-OE1 3.24Å; S401-E403 VanDerWaalsContact C-N 3.27Å; S401-E403 PolarHBondContact O-N 2.8Å; E403-N405 VanDerWaalsContact C-N 3.32Å; E403-N405 PolarHBondContact O-N 3.49Å
404Q50.3Low65Low185 Ų185102 Ų10286%0.86456%0.56SS**  trans-50.5108.4176.7-75.7-173.6-14.800105.8N402 S406N402-Q404 PolarHBondContact O-N 3.34Å; Q404-S406 PolarHBondContact O-N 2.96Å
405N39.5Very low63.4Low156 Ų156103.9 Ų103.983%0.83457%0.567SS**  trans-53.8103.1162.6-84.4-23000103.7E403 T407E403-N405 VanDerWaalsContact C-N 3.32Å; E403-N405 PolarHBondContact O-N 3.49Å; N405-T407 PolarHBondContact O-N 3.29Å; N405-T407 VanDerWaalsContact O-N 3.08Å
406S36.4Very low61.5Low100 Ų100106.7 Ų106.770%0.69958%0.582SS**SBendtrans-12.9105.8164.946.50000111.6Q404Q404-S406 PolarHBondContact O-N 2.96Å
407T31.4Very low59.4Low123 Ų123111.6 Ų111.676%0.75561%0.611SS**  trans51.6122.5153.126.40000117.8N405 S409N405-T407 PolarHBondContact O-N 3.29Å; N405-T407 VanDerWaalsContact O-N 3.08Å; T407-S409 PolarHBondContact O-N 3.15Å; T407-S409 VanDerWaalsContact O-N 3.11Å
408P39.8Very low57Low123 Ų123118.6 Ų118.680%0.79965%0.649SS**  trans-55.5123.6164.5-12.325.6000107.9S410P408-S410 PolarHBondContact O-N 3.1Å
409S39.6Very low54.4Low111 Ų111122.1 Ų122.178%0.77667%0.67SS**  trans-41.6114168.148.40000108.5T407 L411T407-S409 PolarHBondContact O-N 3.15Å; T407-S409 VanDerWaalsContact O-N 3.11Å; S409-L411 PolarHBondContact O-N 3.09Å
410S40.4Very low51.5Low94 Ų94120.5 Ų120.566%0.65768%0.677SS**  trans-43.812416946.80000108.8P408 T412P408-S410 PolarHBondContact O-N 3.1Å; S410-T412 PolarHBondContact O-N 3.5Å
411L39.7Very low48.2Very low176 Ų176128.1 Ų128.192%0.92172%0.721SS**  trans-50104165.9-68.9155.1000108.1S409S409-L411 PolarHBondContact O-N 3.09Å
412T30.7Very low44.4Very low122 Ų122137.9 Ų137.975%0.74878%0.775SS**  trans-106.9101.5164.346.50000107.1S410S410-T412 PolarHBondContact O-N 3.5Å
413E41.7Very low40.8Very low267 Ų267140.5 Ų140.5100%1.24879%0.793SS**  trans-175.50142.8-99.7175.4-165.600106.4

Retrieved 413 of 413 residues in 129.2 ms (Link to these results)

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