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Formimidoyltransferase-cyclodeaminase

Binds and promotes bundling of vimentin filaments originating from the Golgi. Folate-dependent enzyme, that displays both transferase and deaminase activity. Serves to channel one-carbon units from formiminoglutamate to the folate pool.

AlphaFold DB , UniProt , Accession A0A093HNJ0, Species STRCA (Struthio camelus australis), Gene n/a, Length 541 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
1M49.8Very low86.5Confident202 Ų20238.5 Ų38.5100%0.99521%0.208SC*.  0147.60-65.4175.2176.200108.3N98M1-N98 VanDerWaalsContact CB-ND2 3.32Å; M1-N98 WeakPolarHBondContact CB-ND2 3.27Å
2A69.4Low87.3Confident71 Ų7135.4 Ų35.459%0.58719%0.192SC*.  trans-64.9135.1178.100000110M97 N98A2-M97 HydrophobicContact CB-CE 4.27Å; A2-N98 PolarHBondContact O-ND2 3.43Å; A2-N98 VanDerWaalsContact O-ND2 3.17Å
3K83.9Confident88Confident97 Ų9734.8 Ų34.842%0.42219%0.187SC..  trans-92.6130.7172.8-70.7-169.7178.3-179.60108.3P55 V99 E103K3-P55 HydrophobicContact CB-CG 4.26Å; K3-P55 HydrophobicContact CD-CG 4.22Å; K3-V99 HydrophobicContact CB-CG2 3.61Å; K3-V99 HydrophobicContact CD-CG2 4.29Å; K3-V99 HydrophobicContact CG-CG2 4.06Å; K3-E103 WeakPolarHBondContact CE-OE1 3.49Å; K3-E103 IonicContact NZ-OE1 3.75Å; K3-E103 PolarHBondContact NZ-OE1 3.45Å
4L87Confident88.2Confident28 Ų2832.6 Ų32.615%0.14718%0.177CC..EExtended strand (participates in β ladder)trans-128.9125.7178.8-15668.3000110.3V52 V96 M97 V326L4-V52 HydrophobicContact CD1-CB 3.87Å; L4-V52 HydrophobicContact CD1-CG2 4.08Å; L4-V52 HydrophobicContact CD2-CB 4.25Å; L4-V52 HydrophobicContact CD2-CG1 4.48Å; L4-V52 HydrophobicContact CD2-CG2 4.4Å; L4-V52 HydrophobicContact CG-CB 3.98Å; L4-V52 HydrophobicContact CG-CG1 4.47Å; L4-V52 HydrophobicContact CG-CG2 4.49Å; L4-V96 HydrophobicContact CB-CB 4.19Å; L4-V96 HydrophobicContact CB-CG1 4.34Å; L4-V96 HydrophobicContact CD2-CB 4.38Å; L4-V96 HydrophobicContact CD2-CG1 3.82Å; L4-V96 HydrophobicContact CG-CB 4.35Å; L4-V96 HydrophobicContact CG-CG1 4.32Å; L4-V96 WeakPolarHBondContact O-CB 3.3Å; L4-V96 PolarHBondContact O-N 2.96Å; L4-V96 VanDerWaalsContact O-N 3.09Å; L4-M97 HydrophobicContact CB-CB 3.92Å; L4-M97 HydrophobicContact CB-CE 3.9Å; L4-M97 HydrophobicContact CD2-CE 4.3Å; L4-M97 PolarHBondContact N-O 3.1Å; L4-M97 PolarHBondContact O-N 3.48Å; L4-M97 VanDerWaalsContact O-N 3.09Å; L4-V326 HydrophobicContact CD2-CG2 3.86Å
5V91.1Very high88.4Confident0 Ų036.6 Ų36.60%020%0.198CC..EExtended strand (participates in β ladder)trans-117.8135.8172.31800000107.3V52 G53 P55 V58 F93 V94 V99V5-V52 VanDerWaalsContact O-CA 3.27Å; V5-V52 WeakPolarHBondContact O-CA 3.44Å; V5-G53 PolarHBondContact N-O 3.47Å; V5-G53 PolarHBondContact O-N 3.07Å; V5-G53 VanDerWaalsContact O-N 3.11Å; V5-P55 HydrophobicContact CG2-CB 4.39Å; V5-P55 HydrophobicContact CG2-CG 3.95Å; V5-V58 HydrophobicContact CB-CG1 4.46Å; V5-V58 HydrophobicContact CB-CG2 3.94Å; V5-V58 HydrophobicContact CG1-CG2 3.95Å; V5-F93 HydrophobicContact CG1-CB 4.06Å; V5-F93 HydrophobicContact CG1-CD1 4.13Å; V5-V94 WeakPolarHBondContact CA-O 3.4Å; V5-V99 HydrophobicContact CG2-CB 4.22Å; V5-V99 HydrophobicContact CG2-CG1 3.79Å; V5-V99 HydrophobicContact CG2-CG2 3.87Å
6E91.7Very high88.8Confident5 Ų538.7 Ų38.72%0.02321%0.209CC..EExtended strand (participates in β ladder)trans-89.6133.8166.6175.1-169.2-134.500108.6V8 T50 V52 F93 V94 V96 F181 L272E6-V8 HydrophobicContact CG-CG2 3.59Å; E6-T50 HydrophobicContact CG-CG2 4.14Å; E6-T50 WeakPolarHBondContact OE1-CG2 3.44Å; E6-V52 HydrophobicContact CB-CG1 4.09Å; E6-V52 HydrophobicContact CG-CG1 4.5Å; E6-F93 WeakPolarHBondContact O-CA 3.36Å; E6-V94 HydrophobicContact CB-CB 4.26Å; E6-V94 PolarHBondContact N-O 3.37Å; E6-V94 PolarHBondContact O-N 2.91Å; E6-V96 HydrophobicContact CB-CG2 3.51Å; E6-F181 VanDerWaalsContact OE2-CE2 3.24Å; E6-F181 WeakPolarHBondContact OE2-CE2 3.48Å; E6-L272 HydrophobicContact CG-CD1 4.4Å; E6-L272 WeakPolarHBondContact OE1-CD1 3.2Å; E6-L272 WeakPolarHBondContact OE1-CG 3.31Å
7C94.1Very high89.1Confident0 Ų045.6 Ų45.60%024%0.237CC..EExtended strand (participates in β ladder)trans-121.2127.9172.5-178.30000108.8P9 F51 V58 C91 P92 F93C7-P9 VanDerWaalsContact C-CD 3.49Å; C7-P9 WeakPolarHBondContact O-CD 3.34Å; C7-F51 HydrophobicContact CB-CD1 4.21Å; C7-F51 HydrophobicContact CB-CD2 4.4Å; C7-F51 HydrophobicContact CB-CE1 3.68Å; C7-F51 HydrophobicContact CB-CE2 3.92Å; C7-F51 HydrophobicContact CB-CZ 3.52Å; C7-F51 PolarHBondContact N-O 2.79Å; C7-F51 WeakPolarHBondContact O-CD1 3.16Å; C7-F51 PolarHBondContact O-N 2.92Å; C7-F51 VanDerWaalsContact O-N 3.09Å; C7-F51 VanDerWaalsContact SG-CE1 3.59Å; C7-F51 WeakPolarHBondContact SG-CZ 3.41Å; C7-V58 HydrophobicContact CB-CB 4.12Å; C7-C91 VanDerWaalsContact SG-SG 3.69Å; C7-P92 WeakPolarHBondContact CA-O 3.2Å; C7-F93 HydrophobicContact CB-CD1 4.16Å; C7-F93 HydrophobicContact CB-CE1 4.15Å
8V94.3Very high89.5Confident13 Ų1351.7 Ų51.78%0.07926%0.264CS..  trans-12463.4-171.5-164.30000111.5E6 N10 V48 Y49 T50 P92E6-V8 HydrophobicContact CG-CG2 3.59Å; V8-N10 PolarHBondContact O-ND2 2.87Å; V8-V48 HydrophobicContact CG1-CG1 3.49Å; V8-V48 VanDerWaalsContact CG1-CG1 3.49Å; V8-Y49 CarbonylContact C-O 3.57Å; V8-Y49 WeakPolarHBondContact CA-O 3.47Å; V8-T50 HydrophobicContact CG2-CG2 4.38Å; V8-P92 HydrophobicContact CB-CG 4.06Å; V8-P92 PolarHBondContact N-O 3.36Å; V8-P92 WeakPolarHBondContact O-CD 3.04Å
9P96.4Very high89.8Confident0 Ų049.4 Ų49.40%025%0.252CS..  trans-68.6143.5-176.331.5-37.7000112.3C7 F11 I27 Y49 F51 L88 C91C7-P9 VanDerWaalsContact C-CD 3.49Å; C7-P9 WeakPolarHBondContact O-CD 3.34Å; P9-F11 HydrophobicContact CB-CD2 4.23Å; P9-F11 HydrophobicContact CB-CE2 3.64Å; P9-F11 HydrophobicContact CB-CZ 4.28Å; P9-F11 HydrophobicContact CG-CD2 4.49Å; P9-F11 HydrophobicContact CG-CE2 3.81Å; P9-I27 HydrophobicContact CG-CD1 4.49Å; P9-Y49 VanDerWaalsContact CD-O 3.23Å; P9-Y49 WeakPolarHBondContact CD-O 3.41Å; P9-Y49 PolarHBondContact O-N 2.96Å; P9-F51 HydrophobicContact CG-CD1 4.41Å; P9-F51 HydrophobicContact CG-CE1 3.78Å; P9-L88 HydrophobicContact CB-CD1 3.61Å; P9-C91 HydrophobicContact CB-CB 4.36Å
10N95.8Very high90.2Very high7 Ų747.9 Ų47.94%0.03724%0.244CC..EExtended strand (participates in β ladder)trans-115.9103.9-175.2-66.3-82.4000109.3V8 R46 V48 L88 D89 V90V8-N10 PolarHBondContact O-ND2 2.87Å; N10-R46 PolarHBondContact OD1-NE 3.09Å; N10-R46 PolarHBondContact OD1-NH2 3.09Å; N10-V48 WeakPolarHBondContact OD1-CG2 3.12Å; N10-L88 CarbonylContact O-C 3.41Å; N10-L88 WeakPolarHBondContact O-CA 3.35Å; N10-D89 HydrophobicContact CB-CB 4.47Å; N10-D89 PolarHBondContact O-N 2.92Å; N10-V90 HydrophobicContact CB-CG1 3.94Å; N10-V90 WeakPolarHBondContact CB-O 3.32Å; N10-V90 PolarHBondContact N-O 2.98Å; N10-V90 VanDerWaalsContact ND2-CG1 3.31Å; N10-V90 WeakPolarHBondContact ND2-CG1 3.36Å; N10-V90 PolarHBondContact ND2-O 3.02Å
11F97.8Very high90.4Very high0 Ų051 Ų510%026%0.258CS..EExtended strand (participates in β ladder)trans-97.4137-179.1-69.1-86.5000110.9P9 E13 L23 R46 T47 Y49 A65 A69 I73 A87 L88P9-F11 HydrophobicContact CB-CD2 4.23Å; P9-F11 HydrophobicContact CB-CE2 3.64Å; P9-F11 HydrophobicContact CB-CZ 4.28Å; P9-F11 HydrophobicContact CG-CD2 4.49Å; P9-F11 HydrophobicContact CG-CE2 3.81Å; F11-E13 PolarHBondContact O-N 3.37Å; F11-L23 HydrophobicContact CB-CD1 4.1Å; F11-L23 HydrophobicContact CD1-CD1 4.14Å; F11-L23 HydrophobicContact CD1-CD2 4.38Å; F11-L23 HydrophobicContact CD2-CD1 4.36Å; F11-L23 HydrophobicContact CE1-CD2 4.18Å; F11-L23 HydrophobicContact CG-CD1 3.95Å; F11-L23 HydrophobicContact CZ-CD2 4.38Å; F11-R46 WeakPolarHBondContact O-CA 3.36Å; F11-R46 WeakPolarHBondContact O-CG 3.25Å; F11-T47 PolarHBondContact N-O 3.07Å; F11-T47 PolarHBondContact O-N 3.25Å; F11-Y49 HydrophobicContact CB-CE2 4.19Å; F11-Y49 AromaticContact CD2-CD2 3.48Å; F11-Y49 HydrophobicContact CD2-CD2 3.48Å; F11-Y49 VanDerWaalsContact CD2-CD2 3.48Å; F11-Y49 AromaticContact CD2-CE2 3.51Å; F11-Y49 HydrophobicContact CD2-CE2 3.51Å; F11-Y49 HydrophobicContact CE2-CD2 4.02Å; F11-Y49 HydrophobicContact CE2-CE2 4.27Å; F11-Y49 HydrophobicContact CG-CE2 4.2Å; F11-A65 HydrophobicContact CE2-CB 3.99Å; F11-A65 HydrophobicContact CZ-CB 3.55Å; F11-A69 HydrophobicContact CD1-CB 3.67Å; F11-A69 HydrophobicContact CE1-CB 3.51Å; F11-I73 HydrophobicContact CB-CD1 4.39Å; F11-I73 HydrophobicContact CD1-CD1 4.44Å; F11-A87 CarbonylContact C-O 3.57Å; F11-A87 VanDerWaalsContact CA-O 3.23Å; F11-A87 WeakPolarHBondContact CA-O 3.29Å; F11-L88 HydrophobicContact CD1-CB 4.15Å; F11-L88 HydrophobicContact CD1-CD1 4Å; F11-L88 HydrophobicContact CD2-CD1 4.17Å; F11-L88 HydrophobicContact CE1-CB 3.99Å; F11-L88 HydrophobicContact CE1-CD1 3.71Å; F11-L88 HydrophobicContact CE1-CG 4.31Å; F11-L88 HydrophobicContact CE2-CD1 3.94Å; F11-L88 HydrophobicContact CG-CD1 4.23Å; F11-L88 HydrophobicContact CZ-CD1 3.7Å
12S96.8Very high92.7Very high2 Ų242.9 Ų42.91%0.01422%0.223CC..SBendtrans-81.466.8178.4-63.40000110.4N45 M75 H78 G86 A87S12-N45 CarbonylContact C-O 3.41Å; S12-M75 VanDerWaalsContact CB-SD 3.52Å; S12-H78 PolarHBondContact O-CD2 2.79Å; S12-H78 PolarHBondContact O-NE2 3.1Å; S12-G86 WeakPolarHBondContact CB-O 3.35Å; S12-G86 PolarHBondContact OG-O 3.47Å; S12-A87 PolarHBondContact N-O 3.48Å
13E95.5Very high94Very high27 Ų2739.5 Ų39.513%0.12620%0.195CC..  trans-156.2127.5172.6172.759.2-101.400107.6F11 N15 N16 V19 I20 N45 R46 T47 I73F11-E13 PolarHBondContact O-N 3.37Å; E13-N15 WeakPolarHBondContact OE1-CA 3.32Å; E13-N15 PolarHBondContact OE1-N 3.47Å; E13-N16 PolarHBondContact OE1-N 3.24Å; E13-V19 HydrophobicContact CB-CG1 4.42Å; E13-V19 HydrophobicContact CG-CB 4.02Å; E13-V19 HydrophobicContact CG-CG1 3.86Å; E13-I20 HydrophobicContact CG-CG1 4.04Å; E13-N45 PolarHBondContact N-O 3.04Å; E13-R46 CarbonylContact O-C 3.53Å; E13-T47 VanDerWaalsContact O-CB 3.26Å; E13-T47 WeakPolarHBondContact O-CB 3.47Å; E13-T47 PolarHBondContact O-N 3.09Å; E13-T47 PolarHBondContact O-OG1 2.95Å; E13-I73 HydrophobicContact CB-CD1 3.87Å; E13-I73 HydrophobicContact CB-CG1 4.33Å
14G91.5Very high94.5Very high4 Ų435.2 Ų35.24%0.04118%0.178CC..SBendtrans-135.90.517800000114.3P42 N45G14-P42 WeakPolarHBondContact O-CA 3.48Å; G14-N45 PolarHBondContact N-OD1 3.43Å
15N91.6Very high95Very high93 Ų9338 Ų3850%0.49719%0.191SC..SBendtrans-115.5-46.2-170.6-68-63.4000112.6E13 K17 P42 N45E13-N15 WeakPolarHBondContact OE1-CA 3.32Å; E13-N15 PolarHBondContact OE1-N 3.47Å; N15-K17 PolarHBondContact O-N 3.39Å; N15-P42 WeakPolarHBondContact OD1-CB 3.39Å; N15-N45 PolarHBondContact ND2-OD1 3.42Å
16N94.5Very high95.2Very high70 Ų7038.6 Ų38.637%0.37420%0.195SC..  trans-81.8103.5-177.1-169.4-20.4000111.5E13 E18 V19 I20E13-N16 PolarHBondContact OE1-N 3.24Å; N16-E18 VanDerWaalsContact C-N 3.28Å; N16-E18 PolarHBondContact O-N 2.86Å; N16-E18 WeakPolarHBondContact OD1-CB 3.29Å; N16-E18 PolarHBondContact OD1-N 2.93Å; N16-V19 HydrophobicContact CB-CB 4.21Å; N16-V19 HydrophobicContact CB-CG2 3.91Å; N16-V19 PolarHBondContact O-N 3.19Å; N16-I20 WeakPolarHBondContact O-CG1 3.41Å; N16-I20 PolarHBondContact O-N 3.41Å
17K93.7Very high95.4Very high157 Ų15738.3 Ų38.368%0.68319%0.194SC*.Hα-helixtrans-58.9-36.2179.7-67-174.4178.6-1770113.4N15 V19 I20 E21N15-K17 PolarHBondContact O-N 3.39Å; K17-V19 VanDerWaalsContact C-N 3.32Å; K17-V19 PolarHBondContact O-N 2.78Å; K17-I20 PolarHBondContact O-N 3.48Å; K17-E21 WeakPolarHBondContact O-CB 3.43Å; K17-E21 VanDerWaalsContact O-CG 3.3Å; K17-E21 WeakPolarHBondContact O-CG 3.47Å; K17-E21 PolarHBondContact O-N 3.22Å
18E95.9Very high95.4Very high155 Ų15541.4 Ų41.472%0.72422%0.216SC*.Hα-helixtrans-65.4-39.8-179.7-63-178.9176.800111N16 A22N16-E18 VanDerWaalsContact C-N 3.28Å; N16-E18 PolarHBondContact O-N 2.86Å; N16-E18 WeakPolarHBondContact OD1-CB 3.29Å; N16-E18 PolarHBondContact OD1-N 2.93Å; E18-A22 WeakPolarHBondContact O-CB 3.46Å; E18-A22 PolarHBondContact O-N 3.43Å
19V96Very high95.4Very high7 Ų749.9 Ų49.94%0.04225%0.246CC..Hα-helixtrans-66.9-45.1175.7-179.80000110.2E13 N16 K17 E21 A22 L23 L72 I73E13-V19 HydrophobicContact CB-CG1 4.42Å; E13-V19 HydrophobicContact CG-CB 4.02Å; E13-V19 HydrophobicContact CG-CG1 3.86Å; N16-V19 HydrophobicContact CB-CB 4.21Å; N16-V19 HydrophobicContact CB-CG2 3.91Å; N16-V19 PolarHBondContact O-N 3.19Å; K17-V19 VanDerWaalsContact C-N 3.32Å; K17-V19 PolarHBondContact O-N 2.78Å; V19-E21 PolarHBondContact O-N 3.33Å; V19-A22 PolarHBondContact O-N 3.27Å; V19-L23 HydrophobicContact CG1-CD1 4.08Å; V19-L23 HydrophobicContact CG1-CG 4.5Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.41Å; V19-L72 HydrophobicContact CG1-CB 3.94Å; V19-L72 HydrophobicContact CG1-CD1 4.36Å; V19-L72 HydrophobicContact CG2-CB 4.04Å; V19-L72 HydrophobicContact CG2-CD1 4.4Å; V19-I73 HydrophobicContact CG1-CD1 4.4Å; V19-I73 HydrophobicContact CG1-CG1 3.96Å
20I96.3Very high95.3Very high19 Ų1950.6 Ų50.610%0.09725%0.251CS..Hα-helixtrans-61.4-48179.9-68164000111.2E13 N16 K17 A22 L23 G24 V38 A40 T47 Y49E13-I20 HydrophobicContact CG-CG1 4.04Å; N16-I20 WeakPolarHBondContact O-CG1 3.41Å; N16-I20 PolarHBondContact O-N 3.41Å; K17-I20 PolarHBondContact O-N 3.48Å; I20-A22 PolarHBondContact O-N 3.46Å; I20-L23 PolarHBondContact O-N 3.17Å; I20-G24 PolarHBondContact O-N 2.98Å; I20-V38 HydrophobicContact CG2-CG1 3.87Å; I20-A40 HydrophobicContact CD1-CB 3.87Å; I20-T47 HydrophobicContact CG2-CG2 4.25Å; I20-Y49 WeakPolarHBondContact CA-OH 3.46Å; I20-Y49 WeakPolarHBondContact CG2-OH 3.4Å; I20-Y49 PolarHBondContact O-OH 3.38Å
21E95.9Very high95.1Very high115 Ų11555.7 Ų55.754%0.53728%0.284SS..Hα-helixtrans-65.4-39.2177.8-72.5176.6-165.800111.6K17 V19 L23 G24 Q25K17-E21 WeakPolarHBondContact O-CB 3.43Å; K17-E21 VanDerWaalsContact O-CG 3.3Å; K17-E21 WeakPolarHBondContact O-CG 3.47Å; K17-E21 PolarHBondContact O-N 3.22Å; V19-E21 PolarHBondContact O-N 3.33Å; E21-L23 PolarHBondContact O-N 3.23Å; E21-G24 PolarHBondContact O-N 2.92Å; E21-Q25 VanDerWaalsContact O-CB 3.31Å; E21-Q25 WeakPolarHBondContact O-CB 3.4Å; E21-Q25 WeakPolarHBondContact O-CG 3.43Å; E21-Q25 PolarHBondContact O-N 3.29Å
22A97.1Very high94.6Very high30 Ų3058.3 Ų58.325%0.24831%0.311CS..Hα-helixtrans-62.2-43.6177.100000111.9E18 V19 I20 Q25 A26 V68 L72E18-A22 WeakPolarHBondContact O-CB 3.46Å; E18-A22 PolarHBondContact O-N 3.43Å; V19-A22 PolarHBondContact O-N 3.27Å; I20-A22 PolarHBondContact O-N 3.46Å; A22-Q25 PolarHBondContact O-N 2.91Å; A22-A26 WeakPolarHBondContact O-CB 3.48Å; A22-A26 PolarHBondContact O-N 3.46Å; A22-V68 HydrophobicContact CB-CG1 3.97Å; A22-L72 HydrophobicContact CB-CD1 3.86Å
23L96.8Very high94.3Very high0 Ų058.8 Ų58.80%031%0.314CS..Hα-helixtrans-63.9-47.6175.4-68.2170.8000111.4F11 V19 I20 E21 Q25 A26 I27 Y49 A65 V68 A69 I73F11-L23 HydrophobicContact CB-CD1 4.1Å; F11-L23 HydrophobicContact CD1-CD1 4.14Å; F11-L23 HydrophobicContact CD1-CD2 4.38Å; F11-L23 HydrophobicContact CD2-CD1 4.36Å; F11-L23 HydrophobicContact CE1-CD2 4.18Å; F11-L23 HydrophobicContact CG-CD1 3.95Å; F11-L23 HydrophobicContact CZ-CD2 4.38Å; V19-L23 HydrophobicContact CG1-CD1 4.08Å; V19-L23 HydrophobicContact CG1-CG 4.5Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.41Å; I20-L23 PolarHBondContact O-N 3.17Å; E21-L23 PolarHBondContact O-N 3.23Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-Q25 PolarHBondContact O-N 3.46Å; L23-A26 WeakPolarHBondContact O-CB 3.33Å; L23-A26 PolarHBondContact O-N 3.13Å; L23-I27 WeakPolarHBondContact O-CG1 3.35Å; L23-I27 PolarHBondContact O-N 3.42Å; L23-I27 VanDerWaalsContact O-N 3.14Å; L23-Y49 HydrophobicContact CB-CE1 4.03Å; L23-Y49 HydrophobicContact CB-CE2 4.31Å; L23-Y49 WeakPolarHBondContact CB-OH 3.42Å; L23-Y49 HydrophobicContact CD1-CE2 4.28Å; L23-A65 HydrophobicContact CD2-CB 4.48Å; L23-A65 WeakPolarHBondContact CD2-O 3.38Å; L23-V68 HydrophobicContact CD2-CB 4Å; L23-V68 HydrophobicContact CD2-CG1 3.92Å; L23-V68 HydrophobicContact CG-CG1 4.43Å; L23-A69 HydrophobicContact CD2-CB 3.74Å; L23-I73 HydrophobicContact CD1-CD1 4.32Å
24G95.6Very high94Very high7 Ų761.7 Ų61.77%0.07233%0.333CS..Hα-helixtrans-60.1-41.1176.400000112.5I20 E21 I27 S28I20-G24 PolarHBondContact O-N 2.98Å; E21-G24 PolarHBondContact O-N 2.92Å; G24-I27 PolarHBondContact O-N 3.38Å; G24-S28 WeakPolarHBondContact O-CB 3.34Å; G24-S28 PolarHBondContact O-N 3.21Å; G24-S28 PolarHBondContact O-OG 3.5Å; G24-S28 VanDerWaalsContact O-OG 3.11Å
25Q96.3Very high93.9Very high87 Ų8763.5 Ų63.541%0.40734%0.342SS..Hα-helixtrans-66-37.7175.4-74.4178.129.900112.4E21 A22 L23 I27 S28 R29E21-Q25 VanDerWaalsContact O-CB 3.31Å; E21-Q25 WeakPolarHBondContact O-CB 3.4Å; E21-Q25 WeakPolarHBondContact O-CG 3.43Å; E21-Q25 PolarHBondContact O-N 3.29Å; A22-Q25 PolarHBondContact O-N 2.91Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-Q25 PolarHBondContact O-N 3.46Å; Q25-I27 VanDerWaalsContact C-N 3.29Å; Q25-I27 PolarHBondContact O-N 2.88Å; Q25-S28 PolarHBondContact O-N 3.28Å; Q25-R29 VanDerWaalsContact O-CB 3.3Å; Q25-R29 WeakPolarHBondContact O-CB 3.41Å; Q25-R29 VanDerWaalsContact O-CG 3.26Å; Q25-R29 WeakPolarHBondContact O-CG 3.37Å; Q25-R29 PolarHBondContact O-N 3Å
26A96.7Very high93.6Very high12 Ų1260.4 Ų60.410%0.09933%0.325CS..Hα-helixtrans-62-38.2176.700000111.9A22 L23 T30 S64 V68A22-A26 WeakPolarHBondContact O-CB 3.48Å; A22-A26 PolarHBondContact O-N 3.46Å; L23-A26 WeakPolarHBondContact O-CB 3.33Å; L23-A26 PolarHBondContact O-N 3.13Å; A26-T30 PolarHBondContact O-OG1 3.01Å; A26-S64 PolarHBondContact O-OG 2.88Å; A26-V68 HydrophobicContact CB-CB 4.46Å; A26-V68 HydrophobicContact CB-CG2 3.84Å
27I95.6Very high93.1Very high0 Ų058.5 Ų58.50%032%0.315CS..Hα-helixtrans-68.5-54.7173.5-61.1171000110.1P9 L23 G24 Q25 R29 T30 L35 Y49 F51 A65P9-I27 HydrophobicContact CG-CD1 4.49Å; L23-I27 WeakPolarHBondContact O-CG1 3.35Å; L23-I27 PolarHBondContact O-N 3.42Å; L23-I27 VanDerWaalsContact O-N 3.14Å; G24-I27 PolarHBondContact O-N 3.38Å; Q25-I27 VanDerWaalsContact C-N 3.29Å; Q25-I27 PolarHBondContact O-N 2.88Å; I27-R29 VanDerWaalsContact C-N 3.28Å; I27-R29 PolarHBondContact O-N 3.21Å; I27-T30 VanDerWaalsContact O-CB 3.27Å; I27-T30 WeakPolarHBondContact O-CB 3.41Å; I27-T30 PolarHBondContact O-N 3.14Å; I27-L35 HydrophobicContact CD1-CD1 4.36Å; I27-L35 HydrophobicContact CG2-CB 4.39Å; I27-L35 HydrophobicContact CG2-CD1 4.14Å; I27-Y49 HydrophobicContact CD1-CD1 3.87Å; I27-Y49 HydrophobicContact CD1-CG 3.91Å; I27-F51 HydrophobicContact CD1-CD1 4.06Å; I27-F51 HydrophobicContact CD1-CE1 4.09Å; I27-F51 HydrophobicContact CG1-CE1 4.48Å; I27-F51 HydrophobicContact CG2-CB 3.8Å; I27-F51 HydrophobicContact CG2-CD1 3.71Å; I27-F51 HydrophobicContact CG2-CD2 3.72Å; I27-F51 HydrophobicContact CG2-CE1 4.12Å; I27-F51 HydrophobicContact CG2-CE2 4.11Å; I27-F51 HydrophobicContact CG2-CG 3.49Å; I27-F51 VanDerWaalsContact CG2-CG 3.49Å; I27-F51 HydrophobicContact CG2-CZ 4.32Å; I27-A65 HydrophobicContact CD1-CB 4.05Å; I27-A65 HydrophobicContact CG1-CB 3.68Å
28S92.8Very high93Very high64 Ų6453.6 Ų53.645%0.44830%0.298SS..Hα-helixtrans-63-28.7-175-66.50000114.4G24 Q25 T30 L35G24-S28 WeakPolarHBondContact O-CB 3.34Å; G24-S28 PolarHBondContact O-N 3.21Å; G24-S28 PolarHBondContact O-OG 3.5Å; G24-S28 VanDerWaalsContact O-OG 3.11Å; Q25-S28 PolarHBondContact O-N 3.28Å; S28-T30 VanDerWaalsContact C-N 3.3Å; S28-L35 WeakPolarHBondContact OG-CB 3.4Å; S28-L35 VanDerWaalsContact OG-CD2 3.29Å; S28-L35 WeakPolarHBondContact OG-CD2 3.41Å
29R95.1Very high92.6Very high191 Ų19148 Ų4872%0.72127%0.273SS*.THydrogen-bonded Turntrans-80.8-11.2175.8-71177.4-176.2171.27.8113.1Q25 I27 P31Q25-R29 VanDerWaalsContact O-CB 3.3Å; Q25-R29 WeakPolarHBondContact O-CB 3.41Å; Q25-R29 VanDerWaalsContact O-CG 3.26Å; Q25-R29 WeakPolarHBondContact O-CG 3.37Å; Q25-R29 PolarHBondContact O-N 3Å; I27-R29 VanDerWaalsContact C-N 3.28Å; I27-R29 PolarHBondContact O-N 3.21Å; R29-P31 WeakPolarHBondContact O-CD 3.48Å
30T94.9Very high92.3Very high15 Ų1549.5 Ų49.59%0.09229%0.286CS..SBendtrans-73.6120.1178.4-60.50000109.6A26 I27 S28 G32 C33 E60A26-T30 PolarHBondContact O-OG1 3.01Å; I27-T30 VanDerWaalsContact O-CB 3.27Å; I27-T30 WeakPolarHBondContact O-CB 3.41Å; I27-T30 PolarHBondContact O-N 3.14Å; S28-T30 VanDerWaalsContact C-N 3.3Å; T30-G32 PolarHBondContact O-N 3Å; T30-C33 PolarHBondContact O-N 2.76Å; T30-E60 HydrophobicContact CG2-CB 3.87Å
31P91.5Very high91.9Very high115 Ų11549 Ų4975%0.74729%0.286SS*.THydrogen-bonded Turntrans-58.7130.2-178.8-2535000112.3R29R29-P31 WeakPolarHBondContact O-CD 3.48Å
32G86.8Confident91.6Very high54 Ų5445.9 Ų45.956%0.55728%0.276SS*.THydrogen-bonded Turntrans86.71.3179.300000115.1T30 G53T30-G32 PolarHBondContact O-N 3Å; G32-G53 VanDerWaalsContact O-CA 3.26Å; G32-G53 WeakPolarHBondContact O-CA 3.34Å
33C90.4Very high91.1Very high13 Ų1345.3 Ų45.39%0.08827%0.27CS..EExtended strand (participates in β ladder)trans-100.4143.7169.3-69.10000111T30 F51 V52 A57T30-C33 PolarHBondContact O-N 2.76Å; C33-F51 HydrophobicContact CB-CD2 4.09Å; C33-F51 HydrophobicContact CB-CE2 4.49Å; C33-V52 CarbonylContact C-O 3.59Å; C33-V52 WeakPolarHBondContact CA-O 3.48Å; C33-A57 PolarHBondContact SG-O 3.4Å
34V88.9Confident90.7Very high87 Ų8746 Ų4653%0.52727%0.274SS..EExtended strand (participates in β ladder)trans-124.1112.3170.1-176.80000107.6L36 F51 V52V34-L36 HydrophobicContact CG1-CD2 3.9Å; V34-F51 VanDerWaalsContact O-CA 3.22Å; V34-F51 WeakPolarHBondContact O-CA 3.4Å; V34-F51 VanDerWaalsContact O-CB 3.24Å; V34-F51 WeakPolarHBondContact O-CB 3.22Å; V34-V52 HydrophobicContact CB-CG2 4.18Å; V34-V52 PolarHBondContact N-O 3.3Å; V34-V52 PolarHBondContact O-N 3.32Å
35L90.2Very high90.5Very high43 Ų4346.5 Ų46.523%0.22528%0.275CS..EExtended strand (participates in β ladder)trans-73.2125.2172.9-176.766.5000109.2I27 S28 V38 Y49 F51I27-L35 HydrophobicContact CD1-CD1 4.36Å; I27-L35 HydrophobicContact CG2-CB 4.39Å; I27-L35 HydrophobicContact CG2-CD1 4.14Å; S28-L35 WeakPolarHBondContact OG-CB 3.4Å; S28-L35 VanDerWaalsContact OG-CD2 3.29Å; S28-L35 WeakPolarHBondContact OG-CD2 3.41Å; L35-V38 HydrophobicContact CD1-CG2 4.06Å; L35-V38 HydrophobicContact CD2-CG2 3.74Å; L35-V38 HydrophobicContact CG-CG2 4.12Å; L35-Y49 HydrophobicContact CD1-CD1 4.26Å; L35-F51 HydrophobicContact CD1-CB 4.13Å
36L84.6Confident90.5Very high28 Ų2844.4 Ų44.415%0.14726%0.264CS..EExtended strand (participates in β ladder)trans-106.5-42.2-172.7-59.3175000112.1V34 T50 V52 L272 L325V34-L36 HydrophobicContact CG1-CD2 3.9Å; L36-T50 WeakPolarHBondContact CA-O 3.24Å; L36-T50 WeakPolarHBondContact CB-O 3.46Å; L36-T50 PolarHBondContact N-O 2.88Å; L36-V52 HydrophobicContact CD1-CB 4.18Å; L36-V52 HydrophobicContact CD1-CG1 3.53Å; L36-V52 HydrophobicContact CD1-CG2 3.75Å; L36-V52 HydrophobicContact CD2-CG2 4.25Å; L36-V52 HydrophobicContact CG-CG2 4.17Å; L36-L272 HydrophobicContact CB-CD2 4.46Å; L36-L272 HydrophobicContact CD1-CD1 3.67Å; L36-L272 HydrophobicContact CD1-CD2 3.87Å; L36-L272 HydrophobicContact CD1-CG 4.2Å; L36-L325 HydrophobicContact CD1-CD1 3.65Å; L36-L325 HydrophobicContact CD2-CD1 4.01Å; L36-L325 HydrophobicContact CD2-CD2 3.78Å; L36-L325 HydrophobicContact CG-CD1 4.42Å
37D84.9Confident90.4Very high29 Ų2943.8 Ų43.816%0.15526%0.259CS..EExtended strand (participates in β ladder)trans-148.6147.2-175.7-165.430.3000110.8T50 G271 R320D37-T50 PolarHBondContact N-O 3.47Å; D37-T50 VanDerWaalsContact N-O 3.16Å; D37-T50 PolarHBondContact O-N 3.46Å; D37-G271 PolarHBondContact OD2-N 3.34Å; D37-R320 IonicContact OD1-NH1 4Å; D37-R320 IonicContact OD2-CZ 2.67Å; D37-R320 IonicContact OD2-NE 2.94Å; D37-R320 IonicContact OD2-NH1 3.23Å; D37-R320 PolarHBondContact OD2-NH1 2.99Å; D37-R320 IonicContact OD2-NH2 2.72Å
38V90.2Very high90.3Very high55 Ų5544.6 Ų44.633%0.33326%0.263SS..EExtended strand (participates in β ladder)trans-135.298.4173.4-176.10000107.1I20 L35 T47 Y49I20-V38 HydrophobicContact CG2-CG1 3.87Å; L35-V38 HydrophobicContact CD1-CG2 4.06Å; L35-V38 HydrophobicContact CD2-CG2 3.74Å; L35-V38 HydrophobicContact CG-CG2 4.12Å; V38-T47 HydrophobicContact CG1-CG2 3.48Å; V38-T47 VanDerWaalsContact CG1-CG2 3.48Å; V38-Y49 HydrophobicContact CB-CD1 4.36Å; V38-Y49 HydrophobicContact CB-CE1 4.43Å; V38-Y49 HydrophobicContact CG1-CD1 3.9Å; V38-Y49 HydrophobicContact CG1-CE1 3.57Å; V38-Y49 HydrophobicContact CG2-CD1 3.7Å; V38-Y49 HydrophobicContact CG2-CE1 3.99Å
39D88.3Confident90.4Very high37 Ų3741.5 Ų41.520%0.19824%0.242CC..EExtended strand (participates in β ladder)trans-99.997.3-179.3-170.914.6000109.7T47 V48 V270D39-T47 CarbonylContact O-C 3.55Å; D39-T47 WeakPolarHBondContact O-CA 3.26Å; D39-V48 HydrophobicContact CB-CB 4.43Å; D39-V48 PolarHBondContact N-O 3.27Å; D39-V48 PolarHBondContact O-N 2.97Å; D39-V270 HydrophobicContact CB-CG1 4.18Å; D39-V270 VanDerWaalsContact OD2-CG1 3.31Å; D39-V270 WeakPolarHBondContact OD2-CG1 3.44Å; D39-V270 VanDerWaalsContact OD2-CG2 3.26Å; D39-V270 WeakPolarHBondContact OD2-CG2 3.45Å
40A90.3Very high90.2Very high38 Ų3832.4 Ų32.431%0.31421%0.208SC..EExtended strand (participates in β ladder)trans-98.4122.2179.200000110.6I20 T47I20-A40 HydrophobicContact CD1-CB 3.87Å; A40-T47 HydrophobicContact CB-CG2 3.95Å; A40-T47 WeakPolarHBondContact CB-OG1 3.42Å
41G88.1Confident90.1Very high9 Ų931.7 Ų31.79%0.09320%0.203CC..EExtended strand (participates in β ladder)trans-111112.1174.800000111.9T44 N45 R46G41-T44 WeakPolarHBondContact CA-OG1 3.13Å; G41-T44 PolarHBondContact O-N 3.47Å; G41-T44 PolarHBondContact O-OG1 3.1Å; G41-N45 WeakPolarHBondContact O-CA 3.4Å; G41-N45 PolarHBondContact O-N 2.92Å; G41-R46 PolarHBondContact N-O 2.9Å; G41-R46 PolarHBondContact O-N 3.21Å
42P89.2Confident90Very high49 Ų4926.8 Ų26.832%0.31817%0.171SC..THydrogen-bonded Turntrans-56.7-49.8175-29.236.5000113.5G14 N15 N45 E228G14-P42 WeakPolarHBondContact O-CA 3.48Å; N15-P42 WeakPolarHBondContact OD1-CB 3.39Å; P42-N45 WeakPolarHBondContact O-CA 3.41Å; P42-N45 PolarHBondContact O-N 3.48Å; P42-N45 VanDerWaalsContact O-N 3.09Å; P42-E228 HydrophobicContact CB-CG 4.43Å; P42-E228 HydrophobicContact CG-CB 4.5Å; P42-E228 HydrophobicContact CG-CG 4.06Å
43S87.2Confident90.2Very high18 Ų1824.4 Ų24.413%0.12615%0.146CC..THydrogen-bonded Turntrans-65.8-39.6177.4-74.60000114.2N45 E81 E227 E228S43-N45 PolarHBondContact O-N 3.43Å; S43-E81 WeakPolarHBondContact O-CB 3.41Å; S43-E81 WeakPolarHBondContact O-CG 3.34Å; S43-E81 PolarHBondContact O-N 3.38Å; S43-E227 WeakPolarHBondContact OG-CB 3.43Å; S43-E227 WeakPolarHBondContact OG-CG 3.48Å; S43-E227 PolarHBondContact OG-N 3.1Å; S43-E228 WeakPolarHBondContact CB-OE2 3.45Å; S43-E228 PolarHBondContact N-OE2 2.89Å; S43-E228 PolarHBondContact OG-OE2 3.38Å
44T86.6Confident90.2Very high15 Ų1526 Ų269%0.09216%0.161CC..THydrogen-bonded Turntrans-71.7-14.6174.9540000111.8G41 R46 H82 W224 L226G41-T44 WeakPolarHBondContact CA-OG1 3.13Å; G41-T44 PolarHBondContact O-N 3.47Å; G41-T44 PolarHBondContact O-OG1 3.1Å; T44-R46 PolarHBondContact O-N 3.49Å; T44-H82 HydrophobicContact CG2-CB 4.35Å; T44-W224 HydrophobicContact CG2-CD2 4.5Å; T44-L226 HydrophobicContact CG2-CD2 4.38Å
45N93.2Very high90.5Very high18 Ų1823 Ų2310%0.09614%0.143CC..THydrogen-bonded Turntrans42.245.5-170.4-161.46000112S12 E13 G14 N15 G41 P42 S43 H78 T79S12-N45 CarbonylContact C-O 3.41Å; E13-N45 PolarHBondContact N-O 3.04Å; G14-N45 PolarHBondContact N-OD1 3.43Å; N15-N45 PolarHBondContact ND2-OD1 3.42Å; G41-N45 WeakPolarHBondContact O-CA 3.4Å; G41-N45 PolarHBondContact O-N 2.92Å; P42-N45 WeakPolarHBondContact O-CA 3.41Å; P42-N45 PolarHBondContact O-N 3.48Å; P42-N45 VanDerWaalsContact O-N 3.09Å; S43-N45 PolarHBondContact O-N 3.43Å; N45-H78 VanDerWaalsContact CG-NE2 3.26Å; N45-H78 PolarHBondContact ND2-CD2 3.32Å; N45-H78 PolarHBondContact ND2-NE2 2.8Å; N45-H78 PolarHBondContact O-CE1 3.06Å; N45-H78 PolarHBondContact O-NE2 2.96Å; N45-T79 VanDerWaalsContact CB-O 3.29Å; N45-T79 WeakPolarHBondContact CB-O 3.29Å; N45-T79 PolarHBondContact ND2-O 3.47Å
46R94.5Very high90.7Very high42 Ų4225.9 Ų25.916%0.15816%0.156CC..EExtended strand (participates in β ladder)trans-142.8144.2-176.9171.9175.3160.5-164.3-11.3109.6N10 F11 E13 G41 T44 H82N10-R46 PolarHBondContact OD1-NE 3.09Å; N10-R46 PolarHBondContact OD1-NH2 3.09Å; F11-R46 WeakPolarHBondContact O-CA 3.36Å; F11-R46 WeakPolarHBondContact O-CG 3.25Å; E13-R46 CarbonylContact O-C 3.53Å; G41-R46 PolarHBondContact N-O 2.9Å; G41-R46 PolarHBondContact O-N 3.21Å; T44-R46 PolarHBondContact O-N 3.49Å; R46-H82 PolarHBondContact NH1-CD2 2.96Å; R46-H82 VanDerWaalsContact NH1-CD2 3.33Å; R46-H82 PolarHBondContact NH1-CE1 3.29Å; R46-H82 PolarHBondContact NH1-ND1 2.91Å; R46-H82 VanDerWaalsContact NH1-ND1 3.16Å; R46-H82 PolarHBondContact NH1-NE2 3.5Å
47T95.1Very high91.2Very high0 Ų025.3 Ų25.30%015%0.154CC..EExtended strand (participates in β ladder)trans-120.1127.3170-58.50000109.9F11 E13 I20 V38 D39 A40 Y49F11-T47 PolarHBondContact N-O 3.07Å; F11-T47 PolarHBondContact O-N 3.25Å; E13-T47 VanDerWaalsContact O-CB 3.26Å; E13-T47 WeakPolarHBondContact O-CB 3.47Å; E13-T47 PolarHBondContact O-N 3.09Å; E13-T47 PolarHBondContact O-OG1 2.95Å; I20-T47 HydrophobicContact CG2-CG2 4.25Å; V38-T47 HydrophobicContact CG1-CG2 3.48Å; V38-T47 VanDerWaalsContact CG1-CG2 3.48Å; D39-T47 CarbonylContact O-C 3.55Å; D39-T47 WeakPolarHBondContact O-CA 3.26Å; A40-T47 HydrophobicContact CB-CG2 3.95Å; A40-T47 WeakPolarHBondContact CB-OG1 3.42Å; T47-Y49 HydrophobicContact CG2-CD2 3.92Å; T47-Y49 HydrophobicContact CG2-CE1 4.2Å; T47-Y49 HydrophobicContact CG2-CE2 3.33Å; T47-Y49 VanDerWaalsContact CG2-CZ 3.48Å
48V93.7Very high91.8Very high16 Ų1623.9 Ų23.910%0.09715%0.147CC..EExtended strand (participates in β ladder)trans-97.8118.3172.8-171.60000107.7V8 N10 D39 V270V8-V48 HydrophobicContact CG1-CG1 3.49Å; V8-V48 VanDerWaalsContact CG1-CG1 3.49Å; N10-V48 WeakPolarHBondContact OD1-CG2 3.12Å; D39-V48 HydrophobicContact CB-CB 4.43Å; D39-V48 PolarHBondContact N-O 3.27Å; D39-V48 PolarHBondContact O-N 2.97Å; V48-V270 HydrophobicContact CB-CG1 4.25Å; V48-V270 HydrophobicContact CG1-CG1 4.26Å; V48-V270 HydrophobicContact CG2-CG1 4.28Å
49Y94.3Very high92.1Very high0 Ų021.3 Ų21.30%013%0.131CC..EExtended strand (participates in β ladder)trans-99.2139.1171.8-58.9-105.1000107.8V8 P9 F11 I20 L23 I27 L35 V38 T47V8-Y49 CarbonylContact C-O 3.57Å; V8-Y49 WeakPolarHBondContact CA-O 3.47Å; P9-Y49 VanDerWaalsContact CD-O 3.23Å; P9-Y49 WeakPolarHBondContact CD-O 3.41Å; P9-Y49 PolarHBondContact O-N 2.96Å; F11-Y49 HydrophobicContact CB-CE2 4.19Å; F11-Y49 AromaticContact CD2-CD2 3.48Å; F11-Y49 HydrophobicContact CD2-CD2 3.48Å; F11-Y49 VanDerWaalsContact CD2-CD2 3.48Å; F11-Y49 AromaticContact CD2-CE2 3.51Å; F11-Y49 HydrophobicContact CD2-CE2 3.51Å; F11-Y49 HydrophobicContact CE2-CD2 4.02Å; F11-Y49 HydrophobicContact CE2-CE2 4.27Å; F11-Y49 HydrophobicContact CG-CE2 4.2Å; I20-Y49 WeakPolarHBondContact CA-OH 3.46Å; I20-Y49 WeakPolarHBondContact CG2-OH 3.4Å; I20-Y49 PolarHBondContact O-OH 3.38Å; L23-Y49 HydrophobicContact CB-CE1 4.03Å; L23-Y49 HydrophobicContact CB-CE2 4.31Å; L23-Y49 WeakPolarHBondContact CB-OH 3.42Å; L23-Y49 HydrophobicContact CD1-CE2 4.28Å; I27-Y49 HydrophobicContact CD1-CD1 3.87Å; I27-Y49 HydrophobicContact CD1-CG 3.91Å; L35-Y49 HydrophobicContact CD1-CD1 4.26Å; V38-Y49 HydrophobicContact CB-CD1 4.36Å; V38-Y49 HydrophobicContact CB-CE1 4.43Å; V38-Y49 HydrophobicContact CG1-CD1 3.9Å; V38-Y49 HydrophobicContact CG1-CE1 3.57Å; V38-Y49 HydrophobicContact CG2-CD1 3.7Å; V38-Y49 HydrophobicContact CG2-CE1 3.99Å; T47-Y49 HydrophobicContact CG2-CD2 3.92Å; T47-Y49 HydrophobicContact CG2-CE1 4.2Å; T47-Y49 HydrophobicContact CG2-CE2 3.33Å; T47-Y49 VanDerWaalsContact CG2-CZ 3.48Å
50T91.7Very high92.6Very high0 Ų022.7 Ų22.70%014%0.137CC..EExtended strand (participates in β ladder)trans-124.1121.3175.1-53.70000108.4E6 V8 L36 D37 L272E6-T50 HydrophobicContact CG-CG2 4.14Å; E6-T50 WeakPolarHBondContact OE1-CG2 3.44Å; V8-T50 HydrophobicContact CG2-CG2 4.38Å; L36-T50 WeakPolarHBondContact CA-O 3.24Å; L36-T50 WeakPolarHBondContact CB-O 3.46Å; L36-T50 PolarHBondContact N-O 2.88Å; D37-T50 PolarHBondContact N-O 3.47Å; D37-T50 VanDerWaalsContact N-O 3.16Å; D37-T50 PolarHBondContact O-N 3.46Å; T50-L272 HydrophobicContact CG2-CD1 4.34Å; T50-L272 HydrophobicContact CG2-CD2 4.5Å; T50-L272 HydrophobicContact CG2-CG 3.88Å
51F91.9Very high92.9Very high0 Ų020.9 Ų20.90%012%0.122CC..EExtended strand (participates in β ladder)trans-144.7157.517869.4-82.8000111.2C7 P9 I27 C33 V34 L35 V58 A62C7-F51 HydrophobicContact CB-CD1 4.21Å; C7-F51 HydrophobicContact CB-CD2 4.4Å; C7-F51 HydrophobicContact CB-CE1 3.68Å; C7-F51 HydrophobicContact CB-CE2 3.92Å; C7-F51 HydrophobicContact CB-CZ 3.52Å; C7-F51 PolarHBondContact N-O 2.79Å; C7-F51 WeakPolarHBondContact O-CD1 3.16Å; C7-F51 PolarHBondContact O-N 2.92Å; C7-F51 VanDerWaalsContact O-N 3.09Å; C7-F51 VanDerWaalsContact SG-CE1 3.59Å; C7-F51 WeakPolarHBondContact SG-CZ 3.41Å; P9-F51 HydrophobicContact CG-CD1 4.41Å; P9-F51 HydrophobicContact CG-CE1 3.78Å; I27-F51 HydrophobicContact CD1-CD1 4.06Å; I27-F51 HydrophobicContact CD1-CE1 4.09Å; I27-F51 HydrophobicContact CG1-CE1 4.48Å; I27-F51 HydrophobicContact CG2-CB 3.8Å; I27-F51 HydrophobicContact CG2-CD1 3.71Å; I27-F51 HydrophobicContact CG2-CD2 3.72Å; I27-F51 HydrophobicContact CG2-CE1 4.12Å; I27-F51 HydrophobicContact CG2-CE2 4.11Å; I27-F51 HydrophobicContact CG2-CG 3.49Å; I27-F51 VanDerWaalsContact CG2-CG 3.49Å; I27-F51 HydrophobicContact CG2-CZ 4.32Å; C33-F51 HydrophobicContact CB-CD2 4.09Å; C33-F51 HydrophobicContact CB-CE2 4.49Å; V34-F51 VanDerWaalsContact O-CA 3.22Å; V34-F51 WeakPolarHBondContact O-CA 3.4Å; V34-F51 VanDerWaalsContact O-CB 3.24Å; V34-F51 WeakPolarHBondContact O-CB 3.22Å; L35-F51 HydrophobicContact CD1-CB 4.13Å; F51-V58 HydrophobicContact CD2-CG1 4.33Å; F51-V58 HydrophobicContact CE2-CB 3.98Å; F51-V58 HydrophobicContact CE2-CG1 4.1Å; F51-A62 HydrophobicContact CZ-CB 4.24Å
52V90.1Very high93.4Very high11 Ų1120.5 Ų20.57%0.06712%0.118CC..EExtended strand (participates in β ladder)trans-126.4155.1-178.8-66.90000111.5L4 V5 E6 C33 V34 L36 L272L4-V52 HydrophobicContact CD1-CB 3.87Å; L4-V52 HydrophobicContact CD1-CG2 4.08Å; L4-V52 HydrophobicContact CD2-CB 4.25Å; L4-V52 HydrophobicContact CD2-CG1 4.48Å; L4-V52 HydrophobicContact CD2-CG2 4.4Å; L4-V52 HydrophobicContact CG-CB 3.98Å; L4-V52 HydrophobicContact CG-CG1 4.47Å; L4-V52 HydrophobicContact CG-CG2 4.49Å; V5-V52 VanDerWaalsContact O-CA 3.27Å; V5-V52 WeakPolarHBondContact O-CA 3.44Å; E6-V52 HydrophobicContact CB-CG1 4.09Å; E6-V52 HydrophobicContact CG-CG1 4.5Å; C33-V52 CarbonylContact C-O 3.59Å; C33-V52 WeakPolarHBondContact CA-O 3.48Å; V34-V52 HydrophobicContact CB-CG2 4.18Å; V34-V52 PolarHBondContact N-O 3.3Å; V34-V52 PolarHBondContact O-N 3.32Å; L36-V52 HydrophobicContact CD1-CB 4.18Å; L36-V52 HydrophobicContact CD1-CG1 3.53Å; L36-V52 HydrophobicContact CD1-CG2 3.75Å; L36-V52 HydrophobicContact CD2-CG2 4.25Å; L36-V52 HydrophobicContact CG-CG2 4.17Å; V52-L272 HydrophobicContact CG1-CD1 4.26Å
53G90.4Very high93.8Very high4 Ų418.2 Ų18.24%0.04110%0.103CC..EExtended strand (participates in β ladder)trans179.5-177.317600000112.6V5 G32 V58V5-G53 PolarHBondContact N-O 3.47Å; V5-G53 PolarHBondContact O-N 3.07Å; V5-G53 VanDerWaalsContact O-N 3.11Å; G32-G53 VanDerWaalsContact O-CA 3.26Å; G32-G53 WeakPolarHBondContact O-CA 3.34Å; G53-V58 VanDerWaalsContact N-CG1 3.27Å
54A91.8Very high94.3Very high48 Ų4818.8 Ų18.840%0.39711%0.107SC..  trans-64.7153169.600000110.3E56 A57 V58A54-E56 PolarHBondContact O-N 3.01Å; A54-E56 VanDerWaalsContact O-N 3.07Å; A54-A57 HydrophobicContact CB-CB 4.4Å; A54-A57 PolarHBondContact O-N 2.97Å; A54-V58 PolarHBondContact O-N 3.25Å
55P94.4Very high94.8Very high22 Ų2218.1 Ų18.114%0.14310%0.102CC..Hα-helixtrans-45.8-45.1-177-32.635.7000114.6K3 V5 V58 V59 V99K3-P55 HydrophobicContact CB-CG 4.26Å; K3-P55 HydrophobicContact CD-CG 4.22Å; V5-P55 HydrophobicContact CG2-CB 4.39Å; V5-P55 HydrophobicContact CG2-CG 3.95Å; P55-V58 WeakPolarHBondContact O-CG2 3.43Å; P55-V59 WeakPolarHBondContact O-CG2 3.46Å; P55-V99 HydrophobicContact CG-CG2 4.28Å
56E95.4Very high95Very high105 Ų10517.2 Ų17.249%0.49110%0.098SC..Hα-helixtrans-74.6-37.8180-68.1-63.817800113.6A54 V58 V59 E60 K110A54-E56 PolarHBondContact O-N 3.01Å; A54-E56 VanDerWaalsContact O-N 3.07Å; E56-V58 VanDerWaalsContact C-N 3.35Å; E56-V58 PolarHBondContact O-N 2.9Å; E56-V59 PolarHBondContact O-N 2.91Å; E56-E60 PolarHBondContact O-N 2.91Å; E56-K110 IonicContact OE1-NZ 2.72Å; E56-K110 PolarHBondContact OE1-NZ 3.42Å; E56-K110 IonicContact OE2-NZ 2.8Å; E56-K110 PolarHBondContact OE2-NZ 2.88Å
57A94.9Very high95.2Very high15 Ų1519 Ų1912%0.12411%0.105CC..Hα-helixtrans-64.3-42.5178.700000110.8C33 A54 V59 E60 G61C33-A57 PolarHBondContact SG-O 3.4Å; A54-A57 HydrophobicContact CB-CB 4.4Å; A54-A57 PolarHBondContact O-N 2.97Å; A57-V59 VanDerWaalsContact C-N 3.31Å; A57-V59 PolarHBondContact O-N 2.96Å; A57-E60 PolarHBondContact O-N 3.44Å; A57-G61 PolarHBondContact O-N 3.07Å
58V96Very high95.3Very high0 Ų020.7 Ų20.70%012%0.115CC..Hα-helixtrans-66.5-34-178.3-63.50000113.1V5 C7 F51 G53 A54 P55 E56 G61 A62 F93V5-V58 HydrophobicContact CB-CG1 4.46Å; V5-V58 HydrophobicContact CB-CG2 3.94Å; V5-V58 HydrophobicContact CG1-CG2 3.95Å; C7-V58 HydrophobicContact CB-CB 4.12Å; F51-V58 HydrophobicContact CD2-CG1 4.33Å; F51-V58 HydrophobicContact CE2-CB 3.98Å; F51-V58 HydrophobicContact CE2-CG1 4.1Å; G53-V58 VanDerWaalsContact N-CG1 3.27Å; A54-V58 PolarHBondContact O-N 3.25Å; P55-V58 WeakPolarHBondContact O-CG2 3.43Å; E56-V58 VanDerWaalsContact C-N 3.35Å; E56-V58 PolarHBondContact O-N 2.9Å; V58-G61 PolarHBondContact O-N 3.23Å; V58-A62 WeakPolarHBondContact O-CB 3.47Å; V58-A62 PolarHBondContact O-N 3.41Å; V58-F93 HydrophobicContact CB-CE1 4.37Å; V58-F93 HydrophobicContact CG2-CD1 3.91Å; V58-F93 HydrophobicContact CG2-CE1 3.92Å
59V97.9Very high95.4Very high0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-64.5-44.9173.6172.60000110.6P55 E56 A57 G61 A62 L63 F93 C107 K110 F111P55-V59 WeakPolarHBondContact O-CG2 3.46Å; E56-V59 PolarHBondContact O-N 2.91Å; A57-V59 VanDerWaalsContact C-N 3.31Å; A57-V59 PolarHBondContact O-N 2.96Å; V59-G61 VanDerWaalsContact C-N 3.34Å; V59-G61 PolarHBondContact O-N 3.23Å; V59-A62 PolarHBondContact O-N 3.5Å; V59-L63 HydrophobicContact CG1-CD1 4.05Å; V59-L63 WeakPolarHBondContact O-CG 3.1Å; V59-L63 PolarHBondContact O-N 2.93Å; V59-F93 HydrophobicContact CG2-CE1 4.05Å; V59-F93 HydrophobicContact CG2-CZ 4.18Å; V59-C107 HydrophobicContact CG2-CB 3.82Å; V59-K110 HydrophobicContact CG1-CD 4.42Å; V59-K110 HydrophobicContact CG1-CG 4.3Å; V59-F111 HydrophobicContact CG1-CB 4.18Å
60E97.9Very high95.5Very high67 Ų6723.8 Ų23.831%0.31313%0.128SC..Hα-helixtrans-63.7-39.2175.2-67.5-58.9161.500112.3T30 E56 A57 L63 S64 R114T30-E60 HydrophobicContact CG2-CB 3.87Å; E56-E60 PolarHBondContact O-N 2.91Å; A57-E60 PolarHBondContact O-N 3.44Å; E60-L63 PolarHBondContact O-N 2.96Å; E60-S64 VanDerWaalsContact O-CB 3.26Å; E60-S64 WeakPolarHBondContact O-CB 3.37Å; E60-S64 PolarHBondContact O-N 3.46Å; E60-R114 IonicContact OE1-CZ 3.47Å; E60-R114 IonicContact OE1-NH1 3.18Å; E60-R114 PolarHBondContact OE1-NH1 3.43Å; E60-R114 IonicContact OE1-NH2 2.69Å; E60-R114 PolarHBondContact OE1-NH2 3.11Å; E60-R114 VanDerWaalsContact OE1-NH2 3.15Å; E60-R114 IonicContact OE2-CZ 2.8Å; E60-R114 IonicContact OE2-NH1 3.33Å; E60-R114 IonicContact OE2-NH2 2.62Å; E60-R114 PolarHBondContact OE2-NH2 3.06Å; E60-R114 VanDerWaalsContact OE2-NH2 3.11Å
61G97.1Very high95.7Very high0 Ų030.1 Ų30.10%016%0.158CC..Hα-helixtrans-62.4-44.9178.100000111.7A57 V58 V59 S64 A65A57-G61 PolarHBondContact O-N 3.07Å; V58-G61 PolarHBondContact O-N 3.23Å; V59-G61 VanDerWaalsContact C-N 3.34Å; V59-G61 PolarHBondContact O-N 3.23Å; G61-S64 PolarHBondContact O-N 2.82Å; G61-A65 PolarHBondContact O-N 3.28Å; G61-A65 VanDerWaalsContact O-N 3.07Å
62A97.8Very high95.9Very high1 Ų133.9 Ų33.91%0.00818%0.177CC..Hα-helixtrans-63.7-43.7176.300000112F51 V58 V59 A65 A66 F93 F111F51-A62 HydrophobicContact CZ-CB 4.24Å; V58-A62 WeakPolarHBondContact O-CB 3.47Å; V58-A62 PolarHBondContact O-N 3.41Å; V59-A62 PolarHBondContact O-N 3.5Å; A62-A65 PolarHBondContact O-N 3.26Å; A62-A66 WeakPolarHBondContact O-CB 3.32Å; A62-A66 PolarHBondContact O-N 3Å; A62-F93 HydrophobicContact CB-CZ 4.39Å; A62-F111 HydrophobicContact CB-CD2 3.68Å; A62-F111 HydrophobicContact CB-CE2 3.48Å; A62-F111 VanDerWaalsContact CB-CE2 3.48Å; A62-F111 HydrophobicContact CB-CZ 4.31Å
63L98Very high96.2Very high1 Ų133.6 Ų33.61%0.00518%0.175CC..Hα-helixtrans-66.3-41.4177-71.8170000112.1V59 E60 A65 A66 R67 F111 R114 L115V59-L63 HydrophobicContact CG1-CD1 4.05Å; V59-L63 WeakPolarHBondContact O-CG 3.1Å; V59-L63 PolarHBondContact O-N 2.93Å; E60-L63 PolarHBondContact O-N 2.96Å; L63-A65 VanDerWaalsContact C-N 3.34Å; L63-A65 PolarHBondContact O-N 3.04Å; L63-A66 PolarHBondContact O-N 3.37Å; L63-R67 WeakPolarHBondContact O-CG 3.27Å; L63-R67 PolarHBondContact O-N 3.26Å; L63-F111 HydrophobicContact CD2-CD2 3.81Å; L63-F111 HydrophobicContact CD2-CE2 3.78Å; L63-F111 HydrophobicContact CG-CD2 3.81Å; L63-F111 HydrophobicContact CG-CE2 3.99Å; L63-R114 HydrophobicContact CD1-CB 3.85Å; L63-R114 HydrophobicContact CD2-CB 4.16Å; L63-L115 HydrophobicContact CD2-CB 3.83Å; L63-L115 HydrophobicContact CD2-CD1 4.21Å
64S97.4Very high96.4Very high30 Ų3035.7 Ų35.721%0.2119%0.185CC..Hα-helixtrans-58.5-46.8177-177.60000111.2A26 E60 G61 R67 V68A26-S64 PolarHBondContact O-OG 2.88Å; E60-S64 VanDerWaalsContact O-CB 3.26Å; E60-S64 WeakPolarHBondContact O-CB 3.37Å; E60-S64 PolarHBondContact O-N 3.46Å; G61-S64 PolarHBondContact O-N 2.82Å; S64-R67 PolarHBondContact O-N 3.22Å; S64-V68 PolarHBondContact O-N 2.74Å
65A97.6Very high96.6Very high0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-62.9-42.4174.600000111.9F11 L23 I27 G61 A62 L63 R67 V68 A69F11-A65 HydrophobicContact CE2-CB 3.99Å; F11-A65 HydrophobicContact CZ-CB 3.55Å; L23-A65 HydrophobicContact CD2-CB 4.48Å; L23-A65 WeakPolarHBondContact CD2-O 3.38Å; I27-A65 HydrophobicContact CD1-CB 4.05Å; I27-A65 HydrophobicContact CG1-CB 3.68Å; G61-A65 PolarHBondContact O-N 3.28Å; G61-A65 VanDerWaalsContact O-N 3.07Å; A62-A65 PolarHBondContact O-N 3.26Å; L63-A65 VanDerWaalsContact C-N 3.34Å; L63-A65 PolarHBondContact O-N 3.04Å; A65-R67 PolarHBondContact O-N 2.75Å; A65-V68 PolarHBondContact O-N 2.68Å; A65-A69 PolarHBondContact O-N 3.24Å
66A97.6Very high96.6Very high0 Ų035.7 Ų35.70%018%0.183CC..Hα-helixtrans-61.8-39.517800000113.2A62 L63 V68 A69 E70 L88 L115 L119 W171A62-A66 WeakPolarHBondContact O-CB 3.32Å; A62-A66 PolarHBondContact O-N 3Å; L63-A66 PolarHBondContact O-N 3.37Å; A66-V68 VanDerWaalsContact C-N 3.31Å; A66-V68 PolarHBondContact O-N 3.44Å; A66-A69 WeakPolarHBondContact O-CB 3.32Å; A66-A69 PolarHBondContact O-N 3.42Å; A66-E70 PolarHBondContact O-N 3.3Å; A66-L88 HydrophobicContact CB-CD2 4.36Å; A66-L115 HydrophobicContact CB-CD1 3.46Å; A66-L115 VanDerWaalsContact CB-CD1 3.46Å; A66-L119 HydrophobicContact CB-CD1 4.45Å; A66-W171 HydrophobicContact CB-CH2 4.04Å
67R97.6Very high96.5Very high80 Ų8038.3 Ų38.330%0.30220%0.196SC..Hα-helixtrans-61.6-39174.7-69.4177.2-160.6112.92.6112.3L63 S64 A65 E118L63-R67 WeakPolarHBondContact O-CG 3.27Å; L63-R67 PolarHBondContact O-N 3.26Å; S64-R67 PolarHBondContact O-N 3.22Å; A65-R67 PolarHBondContact O-N 2.75Å; R67-E118 IonicContact CZ-OE2 2.94Å; R67-E118 IonicContact NE-OE2 3.73Å; R67-E118 PolarHBondContact NE-OE2 2.7Å; R67-E118 VanDerWaalsContact NH2-CD 3.31Å; R67-E118 IonicContact NH2-OE1 3.64Å; R67-E118 PolarHBondContact NH2-OE1 3.33Å; R67-E118 VanDerWaalsContact NH2-OE1 3.08Å; R67-E118 IonicContact NH2-OE2 2.57Å; R67-E118 PolarHBondContact NH2-OE2 2.76Å
68V97.1Very high96.5Very high35 Ų3538.3 Ų38.321%0.21219%0.193CC..Hα-helixtrans-70.3-41176.1172.70000110.6A22 L23 A26 S64 A65 A66 E70 Q71 L72A22-V68 HydrophobicContact CB-CG1 3.97Å; L23-V68 HydrophobicContact CD2-CB 4Å; L23-V68 HydrophobicContact CD2-CG1 3.92Å; L23-V68 HydrophobicContact CG-CG1 4.43Å; A26-V68 HydrophobicContact CB-CB 4.46Å; A26-V68 HydrophobicContact CB-CG2 3.84Å; S64-V68 PolarHBondContact O-N 2.74Å; A65-V68 PolarHBondContact O-N 2.68Å; A66-V68 VanDerWaalsContact C-N 3.31Å; A66-V68 PolarHBondContact O-N 3.44Å; V68-E70 VanDerWaalsContact C-N 3.3Å; V68-E70 PolarHBondContact O-N 2.75Å; V68-Q71 PolarHBondContact O-N 2.66Å; V68-L72 HydrophobicContact CG1-CD1 3.62Å; V68-L72 HydrophobicContact CG1-CG 4.36Å; V68-L72 WeakPolarHBondContact O-CG 3.31Å; V68-L72 PolarHBondContact O-N 3.31Å
69A96.9Very high96.3Very high0 Ų043.3 Ų43.30%022%0.223CC..Hα-helixtrans-60.8-38.417700000112.4F11 L23 A65 A66 Q71 L72 I73 W171F11-A69 HydrophobicContact CD1-CB 3.67Å; F11-A69 HydrophobicContact CE1-CB 3.51Å; L23-A69 HydrophobicContact CD2-CB 3.74Å; A65-A69 PolarHBondContact O-N 3.24Å; A66-A69 WeakPolarHBondContact O-CB 3.32Å; A66-A69 PolarHBondContact O-N 3.42Å; A69-Q71 PolarHBondContact O-N 3.34Å; A69-L72 PolarHBondContact O-N 2.9Å; A69-I73 HydrophobicContact CB-CD1 4.06Å; A69-I73 WeakPolarHBondContact O-CB 3.31Å; A69-I73 PolarHBondContact O-N 3.46Å; A69-W171 HydrophobicContact CB-CH2 4.29Å; A69-W171 HydrophobicContact CB-CZ3 4.04Å
70E96Very high95.7Very high81 Ų8144.6 Ų44.638%0.37924%0.237SC..Hα-helixtrans-62.3-32.4-178.4-177.5-107.3174.300112.3A66 V68 L119 W171A66-E70 PolarHBondContact O-N 3.3Å; V68-E70 VanDerWaalsContact C-N 3.3Å; V68-E70 PolarHBondContact O-N 2.75Å; E70-L119 HydrophobicContact CB-CD1 4.13Å; E70-L119 HydrophobicContact CB-CD2 4.17Å; E70-L119 HydrophobicContact CG-CD1 4.36Å; E70-L119 HydrophobicContact CG-CD2 3.99Å; E70-W171 HydrophobicContact CB-CE3 4.03Å; E70-W171 HydrophobicContact CB-CZ3 3.72Å; E70-W171 HydrophobicContact CG-CE3 4.37Å
71Q95.2Very high95Very high133 Ų13344.6 Ų44.662%0.62124%0.237SC*.Hα-helixtrans-80.9-35.9178.3-62.8178.14.800112.2V68 A69 R170V68-Q71 PolarHBondContact O-N 2.66Å; A69-Q71 PolarHBondContact O-N 3.34Å; Q71-R170 PolarHBondContact O-NH2 3.2Å; Q71-R170 VanDerWaalsContact O-NH2 3.15Å
72L96.1Very high94.4Very high78 Ų7845.7 Ų45.741%0.40824%0.242SC..Hα-helixtrans-103.3-24-165.4-62.8-176000115V19 A22 V68 A69V19-L72 HydrophobicContact CG1-CB 3.94Å; V19-L72 HydrophobicContact CG1-CD1 4.36Å; V19-L72 HydrophobicContact CG2-CB 4.04Å; V19-L72 HydrophobicContact CG2-CD1 4.4Å; A22-L72 HydrophobicContact CB-CD1 3.86Å; V68-L72 HydrophobicContact CG1-CD1 3.62Å; V68-L72 HydrophobicContact CG1-CG 4.36Å; V68-L72 WeakPolarHBondContact O-CG 3.31Å; V68-L72 PolarHBondContact O-N 3.31Å; A69-L72 PolarHBondContact O-N 2.9Å
73I96.2Very high94Very high6 Ų647.7 Ų47.73%0.03126%0.255CS..  trans-102.8136.7-179.2-58.8-179.7000109.5F11 E13 V19 L23 A69 M75 A87F11-I73 HydrophobicContact CB-CD1 4.39Å; F11-I73 HydrophobicContact CD1-CD1 4.44Å; E13-I73 HydrophobicContact CB-CD1 3.87Å; E13-I73 HydrophobicContact CB-CG1 4.33Å; V19-I73 HydrophobicContact CG1-CD1 4.4Å; V19-I73 HydrophobicContact CG1-CG1 3.96Å; L23-I73 HydrophobicContact CD1-CD1 4.32Å; A69-I73 HydrophobicContact CB-CD1 4.06Å; A69-I73 WeakPolarHBondContact O-CB 3.31Å; A69-I73 PolarHBondContact O-N 3.46Å; I73-M75 HydrophobicContact CG2-SD 4.45Å; I73-A87 HydrophobicContact CB-CB 4.09Å; I73-A87 HydrophobicContact CG2-CB 3.76Å
74D96.4Very high93.8Very high47 Ų4748.3 Ų48.325%0.25126%0.257SS..  trans-125.3102.5170.9-173.1-12.1000109.8S76 Q77 H78D74-S76 PolarHBondContact O-N 3.02Å; D74-S76 VanDerWaalsContact O-N 3.17Å; D74-S76 VanDerWaalsContact OD1-CB 3.31Å; D74-S76 WeakPolarHBondContact OD1-CB 3.43Å; D74-S76 PolarHBondContact OD1-N 2.99Å; D74-S76 PolarHBondContact OD1-OG 3.08Å; D74-S76 PolarHBondContact OD2-OG 3.21Å; D74-Q77 PolarHBondContact O-N 3.29Å; D74-Q77 VanDerWaalsContact O-N 3.12Å; D74-H78 PolarHBondContact O-N 2.9Å
75M96.1Very high93.7Very high1 Ų147 Ų471%0.00525%0.248CC..G310 helixtrans-61.8-21.2-179.7-75.8-58.2-59.800114S12 I73 Q77 H78 R84 G86 A87 Y146 R170 W171S12-M75 VanDerWaalsContact CB-SD 3.52Å; I73-M75 HydrophobicContact CG2-SD 4.45Å; M75-Q77 PolarHBondContact O-N 3.32Å; M75-H78 HydrophobicContact CE-CB 4.08Å; M75-H78 PolarHBondContact O-N 3.39Å; M75-H78 HydrophobicContact SD-CB 3.88Å; M75-R84 HydrophobicContact CE-CG 3.79Å; M75-G86 VanDerWaalsContact SD-C 3.51Å; M75-A87 HydrophobicContact CG-CB 4Å; M75-A87 VanDerWaalsContact CG-N 3.33Å; M75-A87 HydrophobicContact SD-CB 4.43Å; M75-A87 PolarHBondContact SD-N 2.98Å; M75-Y146 HydrophobicContact CB-CD2 3.98Å; M75-Y146 HydrophobicContact CB-CE2 3.57Å; M75-Y146 HydrophobicContact CE-CD2 4.09Å; M75-Y146 HydrophobicContact CE-CG 4.24Å; M75-R170 PolarHBondContact N-O 2.93Å; M75-W171 WeakPolarHBondContact CG-O 3.32Å
76S94.1Very high93.6Very high70 Ų7047 Ų4749%0.4925%0.248SC..G310 helixtrans-66.6-19.317772.70000113.3D74 P169D74-S76 PolarHBondContact O-N 3.02Å; D74-S76 VanDerWaalsContact O-N 3.17Å; D74-S76 VanDerWaalsContact OD1-CB 3.31Å; D74-S76 WeakPolarHBondContact OD1-CB 3.43Å; D74-S76 PolarHBondContact OD1-N 2.99Å; D74-S76 PolarHBondContact OD1-OG 3.08Å; D74-S76 PolarHBondContact OD2-OG 3.21Å; S76-P169 PolarHBondContact N-O 3.16Å
77Q93.3Very high93.6Very high160 Ų16047 Ų4775%0.74825%0.248SC*.G310 helixtrans-109.1-0.7176.9-56.4-171900112.5D74 M75D74-Q77 PolarHBondContact O-N 3.29Å; D74-Q77 VanDerWaalsContact O-N 3.12Å; M75-Q77 PolarHBondContact O-N 3.32Å
78H95.1Very high93.6Very high14 Ų1443.1 Ų43.17%0.06523%0.233CC..  trans-85.5128-175.2-177.3-80.3000112.6S12 N45 D74 M75 R84S12-H78 PolarHBondContact O-CD2 2.79Å; S12-H78 PolarHBondContact O-NE2 3.1Å; N45-H78 VanDerWaalsContact CG-NE2 3.26Å; N45-H78 PolarHBondContact ND2-CD2 3.32Å; N45-H78 PolarHBondContact ND2-NE2 2.8Å; N45-H78 PolarHBondContact O-CE1 3.06Å; N45-H78 PolarHBondContact O-NE2 2.96Å; D74-H78 PolarHBondContact O-N 2.9Å; M75-H78 HydrophobicContact CE-CB 4.08Å; M75-H78 PolarHBondContact O-N 3.39Å; M75-H78 HydrophobicContact SD-CB 3.88Å; H78-R84 PolarHBondContact O-NH2 3.46Å
79T90Very high93.6Very high105 Ų10541.5 Ų41.564%0.64422%0.223SC*.  trans-137143.8168.2590000110N45N45-T79 VanDerWaalsContact CB-O 3.29Å; N45-T79 WeakPolarHBondContact CB-O 3.29Å; N45-T79 PolarHBondContact ND2-O 3.47Å
80G86.9Confident93.6Very high28 Ų2841.8 Ų41.829%0.28923%0.225SC..  trans-162.4159.8179.900000112H82G80-H82 PolarHBondContact O-N 3Å
81E82Confident93.6Very high66 Ų6638 Ų3831%0.30821%0.207SC..SBendtrans-67.4-24.8178-69.5-131135.800113.3S43 K193 Y225S43-E81 WeakPolarHBondContact O-CB 3.41Å; S43-E81 WeakPolarHBondContact O-CG 3.34Å; S43-E81 PolarHBondContact O-N 3.38Å; E81-K193 IonicContact OE1-NZ 3.55Å; E81-K193 PolarHBondContact OE1-NZ 2.96Å; E81-K193 IonicContact OE2-NZ 4Å; E81-K193 PolarHBondContact OE2-NZ 3.46Å; E81-Y225 PolarHBondContact OE2-N 3.38Å; E81-Y225 VanDerWaalsContact OE2-N 3.09Å
82H85.5Confident93.7Very high24 Ų2431.7 Ų31.711%0.11118%0.178CC..SBendtrans-85.3132.7-177.7-170.3-64.7000111T44 R46 G80 R84 W224T44-H82 HydrophobicContact CG2-CB 4.35Å; R46-H82 PolarHBondContact NH1-CD2 2.96Å; R46-H82 VanDerWaalsContact NH1-CD2 3.33Å; R46-H82 PolarHBondContact NH1-CE1 3.29Å; R46-H82 PolarHBondContact NH1-ND1 2.91Å; R46-H82 VanDerWaalsContact NH1-ND1 3.16Å; R46-H82 PolarHBondContact NH1-NE2 3.5Å; G80-H82 PolarHBondContact O-N 3Å; H82-R84 PolarHBondContact O-N 3.31Å; H82-W224 AromaticContact CD2-CZ3 3.42Å; H82-W224 VanDerWaalsContact CD2-CZ3 3.42Å; H82-W224 WeakPolarHBondContact CD2-CZ3 3.49Å; H82-W224 AromaticContact NE2-CZ3 3.95Å
83P88.4Confident93.6Very high43 Ų4328 Ų2828%0.27916%0.159SC..  trans-55.3123.8173.8-25.833.5000112.7E145P83-E145 WeakPolarHBondContact CA-OE2 3.41Å; P83-E145 HydrophobicContact CB-CG 4.26Å
84R93.9Very high93.5Very high14 Ų1427.7 Ų27.75%0.05316%0.157CC..  trans-141.3148.6-174.981-63.1172.8-118.2-5.6111.5M75 H78 H82 D89 E145 Y146 E147M75-R84 HydrophobicContact CE-CG 3.79Å; H78-R84 PolarHBondContact O-NH2 3.46Å; H82-R84 PolarHBondContact O-N 3.31Å; R84-D89 WeakPolarHBondContact CA-OD1 3.47Å; R84-E145 WeakPolarHBondContact CD-OE2 3.45Å; R84-E145 IonicContact CZ-OE2 2.82Å; R84-E145 PolarHBondContact N-OE2 2.86Å; R84-E145 VanDerWaalsContact N-OE2 3.15Å; R84-E145 IonicContact NE-OE2 3.03Å; R84-E145 IonicContact NH1-OE2 3.27Å; R84-E145 PolarHBondContact NH1-OE2 3.02Å; R84-E145 CarbonylContact O-C 3.6Å; R84-E145 WeakPolarHBondContact O-CA 3.07Å; R84-E145 VanDerWaalsContact O-CB 3.23Å; R84-E145 WeakPolarHBondContact O-CB 3.21Å; R84-Y146 PolarHBondContact O-N 2.99Å; R84-E147 IonicContact CZ-OE1 2.72Å; R84-E147 IonicContact CZ-OE2 3.48Å; R84-E147 IonicContact NH1-OE1 3.06Å; R84-E147 PolarHBondContact NH1-OE1 3.13Å; R84-E147 IonicContact NH1-OE2 2.93Å; R84-E147 PolarHBondContact NH1-OE2 2.83Å; R84-E147 IonicContact NH2-OE1 3.11Å; R84-E147 PolarHBondContact NH2-OE1 3.47Å; R84-E147 IonicContact NH2-OE2 3.37Å
85M95.3Very high93.2Very high1 Ų127.1 Ų27.11%0.00516%0.156CC..  trans-130.1-4.8174.471.5177.1-158.800114.9D89 Y124 I141 R142 L149 G172 A173 V175M85-D89 WeakPolarHBondContact CG-OD1 3.46Å; M85-D89 PolarHBondContact N-OD1 3.02Å; M85-Y124 HydrophobicContact CE-CD2 4.44Å; M85-I141 HydrophobicContact CE-CG2 4.2Å; M85-I141 HydrophobicContact SD-CG2 4.26Å; M85-R142 HydrophobicContact CG-CG 4.14Å; M85-R142 HydrophobicContact SD-CG 3.81Å; M85-L149 HydrophobicContact CB-CD1 4.45Å; M85-L149 WeakPolarHBondContact O-CD1 3.32Å; M85-G172 WeakPolarHBondContact O-CA 3.19Å; M85-A173 HydrophobicContact CE-CB 4.06Å; M85-A173 PolarHBondContact O-N 3.02Å; M85-A173 VanDerWaalsContact O-N 3.08Å; M85-V175 HydrophobicContact CE-CB 4.12Å; M85-V175 HydrophobicContact CE-CG2 3.15Å; M85-V175 HydrophobicContact SD-CG2 4.46Å
86G96.4Very high92.6Very high0 Ų028.8 Ų28.80%017%0.166CC..BIsolated β-bridgetrans-161.4169.8174.200000114.4S12 M75 L88 D89 W171 A173S12-G86 WeakPolarHBondContact CB-O 3.35Å; S12-G86 PolarHBondContact OG-O 3.47Å; M75-G86 VanDerWaalsContact SD-C 3.51Å; G86-L88 PolarHBondContact O-N 3.28Å; G86-D89 PolarHBondContact O-N 2.93Å; G86-W171 CarbonylContact C-O 3.59Å; G86-W171 WeakPolarHBondContact CA-O 3.26Å; G86-A173 WeakPolarHBondContact CA-O 3.43Å
87A97Very high91.9Very high0 Ų027 Ų270%015%0.15CC..SBendtrans-57.2-38.1179.600000110.9F11 S12 I73 M75 W171F11-A87 CarbonylContact C-O 3.57Å; F11-A87 VanDerWaalsContact CA-O 3.23Å; F11-A87 WeakPolarHBondContact CA-O 3.29Å; S12-A87 PolarHBondContact N-O 3.48Å; I73-A87 HydrophobicContact CB-CB 4.09Å; I73-A87 HydrophobicContact CG2-CB 3.76Å; M75-A87 HydrophobicContact CG-CB 4Å; M75-A87 VanDerWaalsContact CG-N 3.33Å; M75-A87 HydrophobicContact SD-CB 4.43Å; M75-A87 PolarHBondContact SD-N 2.98Å; A87-W171 HydrophobicContact CB-CD2 3.96Å; A87-W171 HydrophobicContact CB-CE3 3.67Å; A87-W171 HydrophobicContact CB-CH2 4.48Å; A87-W171 HydrophobicContact CB-CZ3 3.94Å; A87-W171 PolarHBondContact N-O 3.39Å
88L97.8Very high91.3Very high0 Ų023.4 Ų23.40%014%0.136CC..EExtended strand (participates in β ladder)trans-112101159.817768.1000108.1P9 N10 F11 A66 G86 C91 F111 L115 W171 T174P9-L88 HydrophobicContact CB-CD1 3.61Å; N10-L88 CarbonylContact O-C 3.41Å; N10-L88 WeakPolarHBondContact O-CA 3.35Å; F11-L88 HydrophobicContact CD1-CB 4.15Å; F11-L88 HydrophobicContact CD1-CD1 4Å; F11-L88 HydrophobicContact CD2-CD1 4.17Å; F11-L88 HydrophobicContact CE1-CB 3.99Å; F11-L88 HydrophobicContact CE1-CD1 3.71Å; F11-L88 HydrophobicContact CE1-CG 4.31Å; F11-L88 HydrophobicContact CE2-CD1 3.94Å; F11-L88 HydrophobicContact CG-CD1 4.23Å; F11-L88 HydrophobicContact CZ-CD1 3.7Å; A66-L88 HydrophobicContact CB-CD2 4.36Å; G86-L88 PolarHBondContact O-N 3.28Å; L88-C91 HydrophobicContact CD1-CB 4.25Å; L88-C91 HydrophobicContact CD2-CB 4.04Å; L88-C91 HydrophobicContact CG-CB 4.34Å; L88-F111 HydrophobicContact CD2-CE1 4.2Å; L88-F111 HydrophobicContact CD2-CZ 3.61Å; L88-L115 HydrophobicContact CD2-CD2 4.41Å; L88-W171 HydrophobicContact CB-CH2 4.04Å; L88-W171 HydrophobicContact CB-CZ2 3.69Å; L88-T174 HydrophobicContact CB-CG2 4.44Å; L88-T174 HydrophobicContact CD2-CG2 3.86Å; L88-T174 HydrophobicContact CG-CG2 3.99Å; L88-T174 WeakPolarHBondContact O-CA 3.38Å; L88-T174 WeakPolarHBondContact O-CB 3.45Å; L88-T174 WeakPolarHBondContact O-CG2 3.44Å; L88-T174 PolarHBondContact O-OG1 2.96Å
89D96.6Very high91Very high1 Ų123.6 Ų23.61%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-68.8-58.3-174.8-178.262.2000111.2N10 R84 M85 G86 R142 V175N10-D89 HydrophobicContact CB-CB 4.47Å; N10-D89 PolarHBondContact O-N 2.92Å; R84-D89 WeakPolarHBondContact CA-OD1 3.47Å; M85-D89 WeakPolarHBondContact CG-OD1 3.46Å; M85-D89 PolarHBondContact N-OD1 3.02Å; G86-D89 PolarHBondContact O-N 2.93Å; D89-R142 WeakPolarHBondContact OD1-CD 3.45Å; D89-R142 VanDerWaalsContact OD2-CD 3.28Å; D89-R142 WeakPolarHBondContact OD2-CD 3.3Å; D89-R142 IonicContact OD2-CZ 2.73Å; D89-R142 IonicContact OD2-NE 2.69Å; D89-R142 IonicContact OD2-NH1 3.43Å; D89-R142 PolarHBondContact OD2-NH1 2.88Å; D89-V175 PolarHBondContact O-N 3.43Å
90V96.2Very high91.1Very high6 Ų620.8 Ų20.84%0.03612%0.123CC..EExtended strand (participates in β ladder)trans-141.5135.717864.90000112.1N10 Y126 L138 V175N10-V90 HydrophobicContact CB-CG1 3.94Å; N10-V90 WeakPolarHBondContact CB-O 3.32Å; N10-V90 PolarHBondContact N-O 2.98Å; N10-V90 VanDerWaalsContact ND2-CG1 3.31Å; N10-V90 WeakPolarHBondContact ND2-CG1 3.36Å; N10-V90 PolarHBondContact ND2-O 3.02Å; V90-Y126 HydrophobicContact CG2-CD1 4.24Å; V90-Y126 HydrophobicContact CG2-CE1 3.63Å; V90-L138 HydrophobicContact CB-CD1 4.16Å; V90-L138 HydrophobicContact CB-CD2 4.09Å; V90-L138 HydrophobicContact CG1-CD2 3.94Å; V90-L138 HydrophobicContact CG2-CD1 4Å; V90-L138 HydrophobicContact CG2-CD2 3.94Å; V90-V175 CarbonylContact C-O 3.39Å; V90-V175 VanDerWaalsContact CA-O 3.24Å; V90-V175 WeakPolarHBondContact CA-O 3.36Å; V90-V175 HydrophobicContact CB-CB 4.39Å; V90-V175 HydrophobicContact CG2-CB 4.21Å; V90-V175 HydrophobicContact CG2-CG1 3.97Å
91C97.3Very high91.4Very high0 Ų021.7 Ų21.70%012%0.121CC..EExtended strand (participates in β ladder)trans-127.588.8177.1-174.60000110.4C7 P9 L88 F111 V175 T176 G177C7-C91 VanDerWaalsContact SG-SG 3.69Å; P9-C91 HydrophobicContact CB-CB 4.36Å; L88-C91 HydrophobicContact CD1-CB 4.25Å; L88-C91 HydrophobicContact CD2-CB 4.04Å; L88-C91 HydrophobicContact CG-CB 4.34Å; C91-F111 HydrophobicContact CB-CD1 4.49Å; C91-F111 HydrophobicContact CB-CE1 3.79Å; C91-F111 HydrophobicContact CB-CZ 4.13Å; C91-V175 PolarHBondContact N-O 3.39Å; C91-T176 VanDerWaalsContact O-CA 3.32Å; C91-T176 WeakPolarHBondContact O-CA 3.48Å; C91-T176 WeakPolarHBondContact O-CB 3.5Å; C91-T176 PolarHBondContact O-OG1 2.85Å; C91-G177 PolarHBondContact O-N 3.31Å
92P96Very high92Very high2 Ų226 Ų261%0.01314%0.14CC..EExtended strand (participates in β ladder)trans-88.4148.7178.634.6-30.1000113.1C7 V8 Y126 G177 R179C7-P92 WeakPolarHBondContact CA-O 3.2Å; V8-P92 HydrophobicContact CB-CG 4.06Å; V8-P92 PolarHBondContact N-O 3.36Å; V8-P92 WeakPolarHBondContact O-CD 3.04Å; P92-Y126 HydrophobicContact CB-CE1 4.17Å; P92-Y126 WeakPolarHBondContact CB-OH 3.46Å; P92-G177 CarbonylContact C-O 3.33Å; P92-G177 WeakPolarHBondContact CA-O 3.41Å; P92-R179 HydrophobicContact CB-CG 4.37Å
93F95.9Very high92.5Very high0 Ų027.4 Ų27.40%015%0.147CC..EExtended strand (participates in β ladder)trans-112.4126.3171-61.9-87000110V5 E6 C7 V58 V59 A62 C104 C107 A108 F111 G177 A178 R179V5-F93 HydrophobicContact CG1-CB 4.06Å; V5-F93 HydrophobicContact CG1-CD1 4.13Å; E6-F93 WeakPolarHBondContact O-CA 3.36Å; C7-F93 HydrophobicContact CB-CD1 4.16Å; C7-F93 HydrophobicContact CB-CE1 4.15Å; V58-F93 HydrophobicContact CB-CE1 4.37Å; V58-F93 HydrophobicContact CG2-CD1 3.91Å; V58-F93 HydrophobicContact CG2-CE1 3.92Å; V59-F93 HydrophobicContact CG2-CE1 4.05Å; V59-F93 HydrophobicContact CG2-CZ 4.18Å; A62-F93 HydrophobicContact CB-CZ 4.39Å; F93-C104 HydrophobicContact CB-CB 4.28Å; F93-C107 HydrophobicContact CB-CB 4.25Å; F93-C107 HydrophobicContact CD1-CB 3.85Å; F93-C107 HydrophobicContact CD2-CB 4.21Å; F93-C107 HydrophobicContact CE1-CB 4.25Å; F93-C107 HydrophobicContact CG-CB 3.83Å; F93-A108 HydrophobicContact CD2-CB 3.97Å; F93-A108 HydrophobicContact CE2-CB 4.46Å; F93-F111 HydrophobicContact CE2-CB 3.74Å; F93-F111 HydrophobicContact CE2-CD1 4.2Å; F93-F111 AromaticContact CE2-CG 3.98Å; F93-F111 HydrophobicContact CE2-CG 3.98Å; F93-F111 HydrophobicContact CZ-CB 3.73Å; F93-F111 HydrophobicContact CZ-CD1 4.48Å; F93-F111 HydrophobicContact CZ-CD2 4.28Å; F93-F111 AromaticContact CZ-CG 3.9Å; F93-F111 HydrophobicContact CZ-CG 3.9Å; F93-G177 PolarHBondContact N-O 3.45Å; F93-A178 VanDerWaalsContact O-CA 3.3Å; F93-A178 WeakPolarHBondContact O-CA 3.33Å; F93-R179 PolarHBondContact O-N 3.29Å
94V92.5Very high92.8Very high0 Ų025.3 Ų25.30%013%0.134CC..EExtended strand (participates in β ladder)trans-123.7129.1-172.3-176.80000109.5V5 E6 V96 R179 F181V5-V94 WeakPolarHBondContact CA-O 3.4Å; E6-V94 HydrophobicContact CB-CB 4.26Å; E6-V94 PolarHBondContact N-O 3.37Å; E6-V94 PolarHBondContact O-N 2.91Å; V94-V96 PolarHBondContact O-N 3.15Å; V94-R179 HydrophobicContact CG2-CG 4.03Å; V94-F181 HydrophobicContact CG1-CB 4.21Å; V94-F181 HydrophobicContact CG1-CD2 3.86Å; V94-F181 HydrophobicContact CG1-CG 4.47Å
95P90.3Very high93Very high34 Ų3426.6 Ų26.622%0.22114%0.141CC..EExtended strand (participates in β ladder)trans-69.3128178.127.7-31.7000110.3V99 M101 C104 R179P95-V99 HydrophobicContact CB-CB 4.45Å; P95-V99 WeakPolarHBondContact CB-O 3.43Å; P95-M101 HydrophobicContact CG-CE 4Å; P95-C104 VanDerWaalsContact N-SG 3.4Å; P95-R179 WeakPolarHBondContact CD-O 3.45Å
96V83.9Confident93.1Very high36 Ų3629.3 Ų29.322%0.21816%0.164CC..EExtended strand (participates in β ladder)trans-110.5-56.7178.3175.40000111.5L4 E6 V94 I322 V326L4-V96 HydrophobicContact CB-CB 4.19Å; L4-V96 HydrophobicContact CB-CG1 4.34Å; L4-V96 HydrophobicContact CD2-CB 4.38Å; L4-V96 HydrophobicContact CD2-CG1 3.82Å; L4-V96 HydrophobicContact CG-CB 4.35Å; L4-V96 HydrophobicContact CG-CG1 4.32Å; L4-V96 WeakPolarHBondContact O-CB 3.3Å; L4-V96 PolarHBondContact O-N 2.96Å; L4-V96 VanDerWaalsContact O-N 3.09Å; E6-V96 HydrophobicContact CB-CG2 3.51Å; V94-V96 PolarHBondContact O-N 3.15Å; V96-I322 HydrophobicContact CG1-CG2 3.38Å; V96-V326 HydrophobicContact CG1-CG2 4.26Å
97M80.3Confident93.2Very high33 Ų3329.7 Ų29.716%0.16317%0.166CC..EExtended strand (participates in β ladder)trans-144.6127.8-175.2171.7-178.947.800111.1A2 L4 V99 V326A2-M97 HydrophobicContact CB-CE 4.27Å; L4-M97 HydrophobicContact CB-CB 3.92Å; L4-M97 HydrophobicContact CB-CE 3.9Å; L4-M97 HydrophobicContact CD2-CE 4.3Å; L4-M97 PolarHBondContact N-O 3.1Å; L4-M97 PolarHBondContact O-N 3.48Å; L4-M97 VanDerWaalsContact O-N 3.09Å; M97-V99 WeakPolarHBondContact O-CG2 3.35Å; M97-V99 PolarHBondContact O-N 3.37Å; M97-V99 VanDerWaalsContact O-N 3.11Å; M97-V326 HydrophobicContact CB-CG2 4.4Å; M97-V326 HydrophobicContact CE-CB 4.42Å; M97-V326 HydrophobicContact CE-CG1 3.68Å; M97-V326 HydrophobicContact CE-CG2 4.08Å; M97-V326 HydrophobicContact SD-CB 4.45Å; M97-V326 HydrophobicContact SD-CG1 3.29Å; M97-V326 WeakPolarHBondContact SD-CG1 3.24Å; M97-V326 HydrophobicContact SD-CG2 4.34Å
98N80.9Confident93.2Very high84 Ų8429.7 Ų29.745%0.44917%0.166SC..SBendtrans52.130.5177.5-58-49.7000113.8M1 A2M1-N98 VanDerWaalsContact CB-ND2 3.32Å; M1-N98 WeakPolarHBondContact CB-ND2 3.27Å; A2-N98 PolarHBondContact O-ND2 3.43Å; A2-N98 VanDerWaalsContact O-ND2 3.17Å
99V87Confident93.2Very high18 Ų1832.7 Ų32.711%0.10918%0.18CC..  trans-128130.8177.4-179.70000108.5K3 V5 P55 P95 M97 E103K3-V99 HydrophobicContact CB-CG2 3.61Å; K3-V99 HydrophobicContact CD-CG2 4.29Å; K3-V99 HydrophobicContact CG-CG2 4.06Å; V5-V99 HydrophobicContact CG2-CB 4.22Å; V5-V99 HydrophobicContact CG2-CG1 3.79Å; V5-V99 HydrophobicContact CG2-CG2 3.87Å; P55-V99 HydrophobicContact CG-CG2 4.28Å; P95-V99 HydrophobicContact CB-CB 4.45Å; P95-V99 WeakPolarHBondContact CB-O 3.43Å; M97-V99 WeakPolarHBondContact O-CG2 3.35Å; M97-V99 PolarHBondContact O-N 3.37Å; M97-V99 VanDerWaalsContact O-N 3.11Å; V99-E103 HydrophobicContact CG1-CB 3.63Å
100S91.9Very high93.3Very high47 Ų4736.2 Ų36.233%0.32920%0.195SC..  trans-81.5161.7175.761.60000111.9E102 E103 C104S100-E102 PolarHBondContact O-N 3.15Å; S100-E103 PolarHBondContact N-OE2 3.11Å; S100-E103 PolarHBondContact O-N 2.71Å; S100-E103 VanDerWaalsContact OG-CG 3.31Å; S100-E103 WeakPolarHBondContact OG-CG 3.34Å; S100-E103 PolarHBondContact OG-N 3.33Å; S100-E103 PolarHBondContact OG-OE2 3.42Å; S100-C104 PolarHBondContact O-N 3.46Å
101M93.6Very high93.4Very high47 Ų4735.9 Ų35.923%0.23219%0.194CC..Hα-helixtrans-59.7-37.4172.1-171.757.67100111.7P95 E103 C104 I105 E128 A178 R179 T180P95-M101 HydrophobicContact CG-CE 4Å; M101-E103 VanDerWaalsContact C-N 3.31Å; M101-E103 PolarHBondContact O-N 3.08Å; M101-C104 WeakPolarHBondContact O-CB 3.43Å; M101-C104 PolarHBondContact O-N 2.92Å; M101-C104 VanDerWaalsContact O-N 3.1Å; M101-C104 HydrophobicContact SD-CB 4.46Å; M101-I105 HydrophobicContact CG-CD1 4.15Å; M101-I105 HydrophobicContact CG-CG1 4.45Å; M101-I105 WeakPolarHBondContact O-CG1 3.24Å; M101-I105 PolarHBondContact O-N 3.09Å; M101-E128 HydrophobicContact CE-CG 4.25Å; M101-E128 HydrophobicContact CG-CB 4.06Å; M101-E128 HydrophobicContact CG-CG 4.14Å; M101-E128 HydrophobicContact SD-CB 4.04Å; M101-E128 HydrophobicContact SD-CG 3.99Å; M101-A178 HydrophobicContact SD-CB 3.8Å; M101-R179 VanDerWaalsContact CE-C 3.5Å; M101-T180 HydrophobicContact CE-CG2 3.92Å
102E95.3Very high93.4Very high155 Ų15535.9 Ų35.972%0.72419%0.194SC*.Hα-helixtrans-58.9-40.6177.6-66.4177.6-177.100112.3S100 I105 A106S100-E102 PolarHBondContact O-N 3.15Å; E102-I105 PolarHBondContact O-N 3Å; E102-A106 PolarHBondContact O-N 3.22Å
103E95.3Very high93.4Very high54 Ų5441.2 Ų41.225%0.25222%0.218SC..Hα-helixtrans-67.5-36.5175.4-73.3170.3105.800112.4K3 V99 S100 M101 A106 C107K3-E103 WeakPolarHBondContact CE-OE1 3.49Å; K3-E103 IonicContact NZ-OE1 3.75Å; K3-E103 PolarHBondContact NZ-OE1 3.45Å; V99-E103 HydrophobicContact CG1-CB 3.63Å; S100-E103 PolarHBondContact N-OE2 3.11Å; S100-E103 PolarHBondContact O-N 2.71Å; S100-E103 VanDerWaalsContact OG-CG 3.31Å; S100-E103 WeakPolarHBondContact OG-CG 3.34Å; S100-E103 PolarHBondContact OG-N 3.33Å; S100-E103 PolarHBondContact OG-OE2 3.42Å; M101-E103 VanDerWaalsContact C-N 3.31Å; M101-E103 PolarHBondContact O-N 3.08Å; E103-A106 WeakPolarHBondContact O-CB 3.46Å; E103-A106 PolarHBondContact O-N 3.47Å; E103-C107 PolarHBondContact O-N 3.05Å; E103-C107 PolarHBondContact O-SG 3.37Å
104C96.4Very high93.5Very high0 Ų044.1 Ų44.10%023%0.229CC..Hα-helixtrans-67.9-37.4173.1-69.50000112F93 P95 S100 M101 A106 C107 A108 A178F93-C104 HydrophobicContact CB-CB 4.28Å; P95-C104 VanDerWaalsContact N-SG 3.4Å; S100-C104 PolarHBondContact O-N 3.46Å; M101-C104 WeakPolarHBondContact O-CB 3.43Å; M101-C104 PolarHBondContact O-N 2.92Å; M101-C104 VanDerWaalsContact O-N 3.1Å; M101-C104 HydrophobicContact SD-CB 4.46Å; C104-A106 VanDerWaalsContact C-N 3.32Å; C104-C107 WeakPolarHBondContact O-CB 3.35Å; C104-C107 PolarHBondContact O-N 2.87Å; C104-A108 PolarHBondContact O-N 3.28Å; C104-A178 HydrophobicContact CB-CB 3.77Å
105I97.1Very high93.8Very high41 Ų4144.1 Ų44.121%0.2123%0.229CC..Hα-helixtrans-61.2-44172.4-66.9165.4000109.7M101 E102 C107 A108 H109 E128 A129 A178M101-I105 HydrophobicContact CG-CD1 4.15Å; M101-I105 HydrophobicContact CG-CG1 4.45Å; M101-I105 WeakPolarHBondContact O-CG1 3.24Å; M101-I105 PolarHBondContact O-N 3.09Å; E102-I105 PolarHBondContact O-N 3Å; I105-C107 VanDerWaalsContact C-N 3.3Å; I105-C107 PolarHBondContact O-N 3.27Å; I105-A108 PolarHBondContact O-N 2.89Å; I105-H109 PolarHBondContact O-CD2 3.07Å; I105-H109 PolarHBondContact O-N 3.06Å; I105-E128 HydrophobicContact CD1-CB 4.21Å; I105-E128 WeakPolarHBondContact CD1-O 3.45Å; I105-E128 HydrophobicContact CG1-CB 4.36Å; I105-A129 HydrophobicContact CG1-CB 4.42Å; I105-A129 HydrophobicContact CG2-CB 4.22Å; I105-A178 HydrophobicContact CB-CB 4.49Å; I105-A178 HydrophobicContact CG1-CB 3.76Å
106A97.6Very high94.1Very high58 Ų5842.9 Ų42.948%0.47922%0.222SC..Hα-helixtrans-60.5-38.8175.100000112.2E102 E103 C104 H109 K110E102-A106 PolarHBondContact O-N 3.22Å; E103-A106 WeakPolarHBondContact O-CB 3.46Å; E103-A106 PolarHBondContact O-N 3.47Å; C104-A106 VanDerWaalsContact C-N 3.32Å; A106-H109 PolarHBondContact O-N 3.4Å; A106-K110 VanDerWaalsContact O-CB 3.3Å; A106-K110 WeakPolarHBondContact O-CB 3.37Å; A106-K110 PolarHBondContact O-N 3.37Å
107C97.6Very high94.6Very high8 Ų846.6 Ų46.65%0.05424%0.244CC..Hα-helixtrans-61.2-47.1173-64.20000111.7V59 F93 E103 C104 I105 H109 K110 F111V59-C107 HydrophobicContact CG2-CB 3.82Å; F93-C107 HydrophobicContact CB-CB 4.25Å; F93-C107 HydrophobicContact CD1-CB 3.85Å; F93-C107 HydrophobicContact CD2-CB 4.21Å; F93-C107 HydrophobicContact CE1-CB 4.25Å; F93-C107 HydrophobicContact CG-CB 3.83Å; E103-C107 PolarHBondContact O-N 3.05Å; E103-C107 PolarHBondContact O-SG 3.37Å; C104-C107 WeakPolarHBondContact O-CB 3.35Å; C104-C107 PolarHBondContact O-N 2.87Å; I105-C107 VanDerWaalsContact C-N 3.3Å; I105-C107 PolarHBondContact O-N 3.27Å; C107-H109 PolarHBondContact O-N 3.45Å; C107-K110 PolarHBondContact O-N 3.38Å; C107-F111 VanDerWaalsContact O-CB 3.29Å; C107-F111 WeakPolarHBondContact O-CB 3.49Å; C107-F111 PolarHBondContact O-N 3.35Å
108A97.8Very high95.3Very high0 Ų048.9 Ų48.90%026%0.255CS..Hα-helixtrans-61-44.2178.500000112.2F93 C104 I105 G112 L125 A129 T176F93-A108 HydrophobicContact CD2-CB 3.97Å; F93-A108 HydrophobicContact CE2-CB 4.46Å; C104-A108 PolarHBondContact O-N 3.28Å; I105-A108 PolarHBondContact O-N 2.89Å; A108-G112 PolarHBondContact O-N 3.46Å; A108-L125 HydrophobicContact CB-CD2 4.49Å; A108-A129 HydrophobicContact CB-CB 4.21Å; A108-T176 HydrophobicContact CB-CG2 4.5Å; A108-T176 WeakPolarHBondContact O-CG2 3.42Å
109H97.6Very high96Very high63 Ų6346.4 Ų46.429%0.29224%0.241SC..Hα-helixtrans-62.1-47.2175.7-75.8-156.7000111.4I105 A106 C107 F111 G112 Q113 L125 F162I105-H109 PolarHBondContact O-CD2 3.07Å; I105-H109 PolarHBondContact O-N 3.06Å; A106-H109 PolarHBondContact O-N 3.4Å; C107-H109 PolarHBondContact O-N 3.45Å; H109-F111 PolarHBondContact O-N 3.46Å; H109-G112 PolarHBondContact O-N 3.34Å; H109-Q113 WeakPolarHBondContact O-CB 3.34Å; H109-Q113 PolarHBondContact O-N 3.28Å; H109-L125 WeakPolarHBondContact NE2-CD1 3.34Å; H109-F162 HydrophobicContact CB-CZ 4.43Å
110K97.9Very high96.4Very high74 Ų7447.2 Ų47.232%0.32225%0.253SS..Hα-helixtrans-62.8-44.4-179.8-169.3177.3-166178.70111.7E56 V59 A106 C107 R114E56-K110 IonicContact OE1-NZ 2.72Å; E56-K110 PolarHBondContact OE1-NZ 3.42Å; E56-K110 IonicContact OE2-NZ 2.8Å; E56-K110 PolarHBondContact OE2-NZ 2.88Å; V59-K110 HydrophobicContact CG1-CD 4.42Å; V59-K110 HydrophobicContact CG1-CG 4.3Å; A106-K110 VanDerWaalsContact O-CB 3.3Å; A106-K110 WeakPolarHBondContact O-CB 3.37Å; A106-K110 PolarHBondContact O-N 3.37Å; C107-K110 PolarHBondContact O-N 3.38Å; K110-R114 WeakPolarHBondContact O-CB 3.33Å; K110-R114 WeakPolarHBondContact O-CG 3.34Å; K110-R114 PolarHBondContact O-N 3.29Å; K110-R114 VanDerWaalsContact O-N 3.15Å
111F98.4Very high96.5Very high0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-61.4-52.6175.2173.5-99.2000111V59 A62 L63 L88 C91 F93 C107 H109 Q113 R114 L115 T174 T176V59-F111 HydrophobicContact CG1-CB 4.18Å; A62-F111 HydrophobicContact CB-CD2 3.68Å; A62-F111 HydrophobicContact CB-CE2 3.48Å; A62-F111 VanDerWaalsContact CB-CE2 3.48Å; A62-F111 HydrophobicContact CB-CZ 4.31Å; L63-F111 HydrophobicContact CD2-CD2 3.81Å; L63-F111 HydrophobicContact CD2-CE2 3.78Å; L63-F111 HydrophobicContact CG-CD2 3.81Å; L63-F111 HydrophobicContact CG-CE2 3.99Å; L88-F111 HydrophobicContact CD2-CE1 4.2Å; L88-F111 HydrophobicContact CD2-CZ 3.61Å; C91-F111 HydrophobicContact CB-CD1 4.49Å; C91-F111 HydrophobicContact CB-CE1 3.79Å; C91-F111 HydrophobicContact CB-CZ 4.13Å; F93-F111 HydrophobicContact CE2-CB 3.74Å; F93-F111 HydrophobicContact CE2-CD1 4.2Å; F93-F111 AromaticContact CE2-CG 3.98Å; F93-F111 HydrophobicContact CE2-CG 3.98Å; F93-F111 HydrophobicContact CZ-CB 3.73Å; F93-F111 HydrophobicContact CZ-CD1 4.48Å; F93-F111 HydrophobicContact CZ-CD2 4.28Å; F93-F111 AromaticContact CZ-CG 3.9Å; F93-F111 HydrophobicContact CZ-CG 3.9Å; C107-F111 VanDerWaalsContact O-CB 3.29Å; C107-F111 WeakPolarHBondContact O-CB 3.49Å; C107-F111 PolarHBondContact O-N 3.35Å; H109-F111 PolarHBondContact O-N 3.46Å; F111-Q113 PolarHBondContact O-N 2.98Å; F111-R114 PolarHBondContact O-N 3.26Å; F111-L115 HydrophobicContact CE1-CB 4.45Å; F111-L115 HydrophobicContact CE1-CD2 3.78Å; F111-L115 HydrophobicContact CZ-CB 4.29Å; F111-L115 HydrophobicContact CZ-CD1 4.21Å; F111-L115 HydrophobicContact CZ-CD2 3.73Å; F111-L115 HydrophobicContact CZ-CG 4.3Å; F111-L115 WeakPolarHBondContact O-CB 3.34Å; F111-L115 PolarHBondContact O-N 3.36Å; F111-T174 HydrophobicContact CE1-CG2 4.45Å; F111-T176 HydrophobicContact CD1-CG2 3.98Å; F111-T176 WeakPolarHBondContact CD1-OG1 3.49Å
112G97.4Very high96.7Very high0 Ų042.8 Ų42.80%023%0.227CC..Hα-helixtrans-61-45.4-177.200000113.1A108 H109 R114 S116A108-G112 PolarHBondContact O-N 3.46Å; H109-G112 PolarHBondContact O-N 3.34Å; G112-R114 PolarHBondContact O-N 3.47Å; G112-S116 VanDerWaalsContact O-CB 3.29Å; G112-S116 WeakPolarHBondContact O-CB 3.03Å; G112-S116 PolarHBondContact O-N 3.34Å
113Q97.6Very high96.8Very high114 Ų11435.4 Ų35.453%0.53319%0.192SC..Hα-helixtrans-61.2-46.6177.3-174.7179.611.800111.7H109 F111 T117 F162H109-Q113 WeakPolarHBondContact O-CB 3.34Å; H109-Q113 PolarHBondContact O-N 3.28Å; F111-Q113 PolarHBondContact O-N 2.98Å; Q113-T117 WeakPolarHBondContact O-CB 3.38Å; Q113-T117 PolarHBondContact O-N 2.86Å; Q113-T117 PolarHBondContact O-OG1 2.88Å; Q113-F162 HydrophobicContact CB-CD1 4.13Å; Q113-F162 HydrophobicContact CB-CE1 4.1Å; Q113-F162 HydrophobicContact CB-CZ 4.48Å
114R98Very high96.9Very high60 Ų6033 Ų3323%0.22618%0.181CC..Hα-helixtrans-71.6-44.1-178.7-75.1-178.261.4-168.40.5112.7E60 L63 K110 F111 G112 S116 T117 E118E60-R114 IonicContact OE1-CZ 3.47Å; E60-R114 IonicContact OE1-NH1 3.18Å; E60-R114 PolarHBondContact OE1-NH1 3.43Å; E60-R114 IonicContact OE1-NH2 2.69Å; E60-R114 PolarHBondContact OE1-NH2 3.11Å; E60-R114 VanDerWaalsContact OE1-NH2 3.15Å; E60-R114 IonicContact OE2-CZ 2.8Å; E60-R114 IonicContact OE2-NH1 3.33Å; E60-R114 IonicContact OE2-NH2 2.62Å; E60-R114 PolarHBondContact OE2-NH2 3.06Å; E60-R114 VanDerWaalsContact OE2-NH2 3.11Å; L63-R114 HydrophobicContact CD1-CB 3.85Å; L63-R114 HydrophobicContact CD2-CB 4.16Å; K110-R114 WeakPolarHBondContact O-CB 3.33Å; K110-R114 WeakPolarHBondContact O-CG 3.34Å; K110-R114 PolarHBondContact O-N 3.29Å; K110-R114 VanDerWaalsContact O-N 3.15Å; F111-R114 PolarHBondContact O-N 3.26Å; G112-R114 PolarHBondContact O-N 3.47Å; R114-S116 VanDerWaalsContact C-N 3.25Å; R114-S116 PolarHBondContact O-N 2.96Å; R114-T117 PolarHBondContact O-N 3.47Å; R114-E118 IonicContact CZ-OE1 2.96Å; R114-E118 IonicContact NE-OE1 3.53Å; R114-E118 PolarHBondContact NE-OE1 3.15Å; R114-E118 IonicContact NH2-OE1 3.05Å; R114-E118 WeakPolarHBondContact O-CB 3.41Å; R114-E118 VanDerWaalsContact O-CG 3.27Å; R114-E118 WeakPolarHBondContact O-CG 3.36Å; R114-E118 PolarHBondContact O-N 3.13Å
115L97.6Very high97Very high1 Ų133 Ų331%0.00518%0.181CC..Hα-helixtrans-54.8-48176.5-179.772.7000110.2L63 A66 L88 F111 E118 L119 V121 V123 W171 T174L63-L115 HydrophobicContact CD2-CB 3.83Å; L63-L115 HydrophobicContact CD2-CD1 4.21Å; A66-L115 HydrophobicContact CB-CD1 3.46Å; A66-L115 VanDerWaalsContact CB-CD1 3.46Å; L88-L115 HydrophobicContact CD2-CD2 4.41Å; F111-L115 HydrophobicContact CE1-CB 4.45Å; F111-L115 HydrophobicContact CE1-CD2 3.78Å; F111-L115 HydrophobicContact CZ-CB 4.29Å; F111-L115 HydrophobicContact CZ-CD1 4.21Å; F111-L115 HydrophobicContact CZ-CD2 3.73Å; F111-L115 HydrophobicContact CZ-CG 4.3Å; F111-L115 WeakPolarHBondContact O-CB 3.34Å; F111-L115 PolarHBondContact O-N 3.36Å; L115-E118 PolarHBondContact O-N 3.17Å; L115-L119 HydrophobicContact CD1-CD1 3.56Å; L115-L119 HydrophobicContact CD1-CG 4.23Å; L115-L119 HydrophobicContact CG-CD1 4.45Å; L115-L119 WeakPolarHBondContact O-CB 3.32Å; L115-L119 PolarHBondContact O-N 3.06Å; L115-V121 HydrophobicContact CD2-CG2 4.44Å; L115-V121 HydrophobicContact CG-CG2 4.25Å; L115-V123 HydrophobicContact CD2-CG2 3.96Å; L115-V123 HydrophobicContact CG-CG2 4.49Å; L115-W171 HydrophobicContact CD1-CZ2 4.38Å; L115-T174 HydrophobicContact CD2-CG2 3.69Å
116S96.4Very high96.9Very high8 Ų831.8 Ų31.86%0.05617%0.174CC..Hα-helixtrans-67.1-39.2180-171.30000112.8G112 R114 G120 V121 G163G112-S116 VanDerWaalsContact O-CB 3.29Å; G112-S116 WeakPolarHBondContact O-CB 3.03Å; G112-S116 PolarHBondContact O-N 3.34Å; R114-S116 VanDerWaalsContact C-N 3.25Å; R114-S116 PolarHBondContact O-N 2.96Å; S116-G120 WeakPolarHBondContact O-CA 3.28Å; S116-G120 PolarHBondContact O-N 3.49Å; S116-V121 PolarHBondContact OG-O 3.34Å; S116-G163 WeakPolarHBondContact OG-CA 3.38Å; S116-G163 PolarHBondContact OG-N 2.88Å
117T96.1Very high96.6Very high114 Ų11429.5 Ų29.570%0.69916%0.156SC*.Hα-helixtrans-67.2-39.2177.3-56.50000111.9Q113 R114Q113-T117 WeakPolarHBondContact O-CB 3.38Å; Q113-T117 PolarHBondContact O-N 2.86Å; Q113-T117 PolarHBondContact O-OG1 2.88Å; R114-T117 PolarHBondContact O-N 3.47Å
118E95Very high96.5Very high80 Ų8034.2 Ų34.237%0.37418%0.177SC..Hα-helixtrans-79.1-39.2-176.2-69.1-179.3-15200112.6R67 R114 L115R67-E118 IonicContact CZ-OE2 2.94Å; R67-E118 IonicContact NE-OE2 3.73Å; R67-E118 PolarHBondContact NE-OE2 2.7Å; R67-E118 VanDerWaalsContact NH2-CD 3.31Å; R67-E118 IonicContact NH2-OE1 3.64Å; R67-E118 PolarHBondContact NH2-OE1 3.33Å; R67-E118 VanDerWaalsContact NH2-OE1 3.08Å; R67-E118 IonicContact NH2-OE2 2.57Å; R67-E118 PolarHBondContact NH2-OE2 2.76Å; R114-E118 IonicContact CZ-OE1 2.96Å; R114-E118 IonicContact NE-OE1 3.53Å; R114-E118 PolarHBondContact NE-OE1 3.15Å; R114-E118 IonicContact NH2-OE1 3.05Å; R114-E118 WeakPolarHBondContact O-CB 3.41Å; R114-E118 VanDerWaalsContact O-CG 3.27Å; R114-E118 WeakPolarHBondContact O-CG 3.36Å; R114-E118 PolarHBondContact O-N 3.13Å; L115-E118 PolarHBondContact O-N 3.17Å
119L94.2Very high96.3Very high33 Ų3334.4 Ų34.417%0.17318%0.179CC..Hα-helixtrans-106.7-11.5-174.7-55.4-173.5000114.2A66 E70 L115 V121 W171A66-L119 HydrophobicContact CB-CD1 4.45Å; E70-L119 HydrophobicContact CB-CD1 4.13Å; E70-L119 HydrophobicContact CB-CD2 4.17Å; E70-L119 HydrophobicContact CG-CD1 4.36Å; E70-L119 HydrophobicContact CG-CD2 3.99Å; L115-L119 HydrophobicContact CD1-CD1 3.56Å; L115-L119 HydrophobicContact CD1-CG 4.23Å; L115-L119 HydrophobicContact CG-CD1 4.45Å; L115-L119 WeakPolarHBondContact O-CB 3.32Å; L115-L119 PolarHBondContact O-N 3.06Å; L119-V121 VanDerWaalsContact C-N 3.35Å; L119-V121 HydrophobicContact CB-CG1 4.03Å; L119-V121 HydrophobicContact CB-CG2 4.18Å; L119-V121 PolarHBondContact O-N 2.96Å; L119-W171 HydrophobicContact CD1-CE3 4.46Å; L119-W171 HydrophobicContact CD1-CH2 3.79Å; L119-W171 HydrophobicContact CD1-CZ2 4.1Å; L119-W171 HydrophobicContact CD1-CZ3 3.99Å
120G94.9Very high96.1Very high34 Ų3432.2 Ų32.235%0.35117%0.172SC..  trans70.126.7-179.800000114.6S116S116-G120 WeakPolarHBondContact O-CA 3.28Å; S116-G120 PolarHBondContact O-N 3.49Å
121V95.9Very high95.6Very high2 Ų235.3 Ų35.31%0.01219%0.188CC..  trans-103.1151.3-173.1-61.50000112.6L115 S116 L119 V123 V168 W171L115-V121 HydrophobicContact CD2-CG2 4.44Å; L115-V121 HydrophobicContact CG-CG2 4.25Å; S116-V121 PolarHBondContact OG-O 3.34Å; L119-V121 VanDerWaalsContact C-N 3.35Å; L119-V121 HydrophobicContact CB-CG1 4.03Å; L119-V121 HydrophobicContact CB-CG2 4.18Å; L119-V121 PolarHBondContact O-N 2.96Å; V121-V123 HydrophobicContact CG2-CG2 4.17Å; V121-V168 HydrophobicContact CG1-CB 4.47Å; V121-V168 HydrophobicContact CG1-CG1 4.49Å; V121-V168 HydrophobicContact CG1-CG2 4.26Å; V121-W171 HydrophobicContact CB-CG 4.23Å; V121-W171 HydrophobicContact CG1-CB 3.92Å; V121-W171 VanDerWaalsContact CG1-CD1 3.42Å; V121-W171 HydrophobicContact CG1-CD2 4.07Å; V121-W171 HydrophobicContact CG1-CG 3.51Å
122P97Very high95.2Very high0 Ų039.5 Ų39.50%021%0.207CC..  trans-72.3129173.528.1-32.4000111L153 P160 A173 T174P122-L153 HydrophobicContact CB-CD2 3.82Å; P122-L153 HydrophobicContact CG-CD1 4.08Å; P122-L153 HydrophobicContact CG-CD2 4.1Å; P122-P160 HydrophobicContact CB-CB 3.92Å; P122-P160 HydrophobicContact CB-CG 4.05Å; P122-A173 HydrophobicContact CG-CB 3.92Å; P122-T174 PolarHBondContact O-N 3.28Å; P122-T174 VanDerWaalsContact O-N 3.09Å
123V97.8Very high94.7Very high0 Ų046.1 Ų46.10%024%0.238CC..EExtended strand (participates in β ladder)trans-125.3132.5179.9-174.80000110.9L115 V121 D161 F162 T174 T176L115-V123 HydrophobicContact CD2-CG2 3.96Å; L115-V123 HydrophobicContact CG-CG2 4.49Å; V121-V123 HydrophobicContact CG2-CG2 4.17Å; V123-D161 PolarHBondContact O-N 3.32Å; V123-F162 HydrophobicContact CB-CB 4.26Å; V123-F162 PolarHBondContact N-O 2.94Å; V123-F162 PolarHBondContact O-N 3.38Å; V123-T174 CarbonylContact C-O 3.5Å; V123-T174 VanDerWaalsContact CA-O 3.24Å; V123-T174 WeakPolarHBondContact CA-O 3.35Å; V123-T176 HydrophobicContact CG1-CG2 3.9Å
124Y97.4Very high94.3Very high3 Ų344.3 Ų44.31%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-110145.6175.7-61.6-89.6000111.6M85 I141 L153 W158 P160 D161 A173 T174 V175 T176M85-Y124 HydrophobicContact CE-CD2 4.44Å; Y124-I141 HydrophobicContact CD2-CG2 4.2Å; Y124-I141 HydrophobicContact CG-CG2 4.08Å; Y124-L153 VanDerWaalsContact OH-CD2 3.23Å; Y124-L153 WeakPolarHBondContact OH-CD2 3.47Å; Y124-W158 HydrophobicContact CE1-CE3 4.35Å; Y124-W158 PolarHBondContact OH-O 3.26Å; Y124-P160 HydrophobicContact CE1-CB 4.19Å; Y124-P160 HydrophobicContact CE2-CB 4.47Å; Y124-D161 VanDerWaalsContact CA-OD2 3.3Å; Y124-D161 WeakPolarHBondContact CA-OD2 3.39Å; Y124-A173 HydrophobicContact CD2-CB 4.49Å; Y124-A173 HydrophobicContact CE2-CB 4.14Å; Y124-T174 PolarHBondContact N-O 3.25Å; Y124-V175 CarbonylContact O-C 3.57Å; Y124-V175 WeakPolarHBondContact O-CA 3.47Å; Y124-T176 PolarHBondContact O-N 3.32Å
125L97.3Very high93.9Very high0 Ų041.9 Ų41.90%023%0.229CC..EExtended strand (participates in β ladder)trans-94.6133.4172.2-68.7175.8000111.1A108 H109 A129 D161 F162 T176A108-L125 HydrophobicContact CB-CD2 4.49Å; H109-L125 WeakPolarHBondContact NE2-CD1 3.34Å; L125-A129 HydrophobicContact CB-CB 4.5Å; L125-A129 WeakPolarHBondContact CB-O 3.29Å; L125-A129 HydrophobicContact CD2-CB 4.27Å; L125-D161 HydrophobicContact CB-CB 4.36Å; L125-D161 HydrophobicContact CD1-CB 4.21Å; L125-D161 HydrophobicContact CG-CB 4.03Å; L125-D161 PolarHBondContact N-OD2 3.14Å; L125-F162 HydrophobicContact CD1-CE2 3.72Å; L125-F162 HydrophobicContact CD1-CZ 4.21Å; L125-F162 HydrophobicContact CD2-CE2 3.99Å; L125-F162 HydrophobicContact CG-CD2 4.43Å; L125-F162 HydrophobicContact CG-CE2 3.91Å; L125-T176 CarbonylContact C-O 3.2Å; L125-T176 VanDerWaalsContact CA-O 3.26Å; L125-T176 WeakPolarHBondContact CA-O 3.42Å; L125-T176 HydrophobicContact CD2-CG2 3.65Å
126Y95.6Very high93.5Very high15 Ų1545.8 Ų45.86%0.05925%0.246CC..EExtended strand (participates in β ladder)trans-130173178.597.4-68.7000113.3V90 P92 A129 R135 L138 V175 T176 G177 R179V90-Y126 HydrophobicContact CG2-CD1 4.24Å; V90-Y126 HydrophobicContact CG2-CE1 3.63Å; P92-Y126 HydrophobicContact CB-CE1 4.17Å; P92-Y126 WeakPolarHBondContact CB-OH 3.46Å; Y126-A129 PolarHBondContact O-N 3.15Å; Y126-R135 WeakPolarHBondContact CA-O 3.41Å; Y126-R135 WeakPolarHBondContact CB-O 3.41Å; Y126-L138 HydrophobicContact CD2-CB 3.65Å; Y126-L138 HydrophobicContact CD2-CD1 4.39Å; Y126-L138 HydrophobicContact CD2-CG 4.44Å; Y126-L138 HydrophobicContact CE2-CB 3.83Å; Y126-L138 HydrophobicContact CE2-CD2 4.29Å; Y126-L138 HydrophobicContact CE2-CG 4.47Å; Y126-L138 HydrophobicContact CG-CB 4.46Å; Y126-L138 HydrophobicContact CG-CD1 4.46Å; Y126-V175 HydrophobicContact CD1-CG1 3.27Å; Y126-V175 HydrophobicContact CE1-CG1 4.11Å; Y126-V175 HydrophobicContact CG-CG1 3.57Å; Y126-T176 WeakPolarHBondContact CD1-O 3.41Å; Y126-T176 PolarHBondContact N-O 3.44Å; Y126-G177 WeakPolarHBondContact O-CA 3.4Å; Y126-R179 WeakPolarHBondContact OH-CD 3.29Å; Y126-R179 PolarHBondContact OH-NE 3.5Å
127G92.1Very high93Very high11 Ų1147.7 Ų47.711%0.11326%0.262CS..EExtended strand (participates in β ladder)trans64.8-135.9177.500000111.4A129 A130 K136G127-A129 PolarHBondContact O-N 2.89Å; G127-A130 WeakPolarHBondContact O-CB 3.48Å; G127-A130 PolarHBondContact O-N 3.27Å; G127-K136 PolarHBondContact N-O 2.86Å
128E93.8Very high92.6Very high106 Ų10643.2 Ų43.250%0.49523%0.234SC..THydrogen-bonded Turntrans-69.8-12.8178.7-59.9-57.8143.700112.9M101 I105 A178M101-E128 HydrophobicContact CE-CG 4.25Å; M101-E128 HydrophobicContact CG-CB 4.06Å; M101-E128 HydrophobicContact CG-CG 4.14Å; M101-E128 HydrophobicContact SD-CB 4.04Å; M101-E128 HydrophobicContact SD-CG 3.99Å; I105-E128 HydrophobicContact CD1-CB 4.21Å; I105-E128 WeakPolarHBondContact CD1-O 3.45Å; I105-E128 HydrophobicContact CG1-CB 4.36Å; E128-A178 WeakPolarHBondContact CB-O 3.34Å; E128-A178 PolarHBondContact N-O 2.92Å
129A94.4Very high92.2Very high5 Ų542.8 Ų42.84%0.04124%0.238CC..THydrogen-bonded Turntrans-93.3-7.1175.300000113.3I105 A108 L125 Y126 G127 Q131I105-A129 HydrophobicContact CG1-CB 4.42Å; I105-A129 HydrophobicContact CG2-CB 4.22Å; A108-A129 HydrophobicContact CB-CB 4.21Å; L125-A129 HydrophobicContact CB-CB 4.5Å; L125-A129 WeakPolarHBondContact CB-O 3.29Å; L125-A129 HydrophobicContact CD2-CB 4.27Å; Y126-A129 PolarHBondContact O-N 3.15Å; G127-A129 PolarHBondContact O-N 2.89Å; A129-Q131 PolarHBondContact O-N 2.91Å
130A93.3Very high91.9Very high17 Ų1743.1 Ų43.114%0.1425%0.246CC..  trans-65132.5-17900000111.2G127 R135 K136G127-A130 WeakPolarHBondContact O-CB 3.48Å; G127-A130 PolarHBondContact O-N 3.27Å; A130-R135 HydrophobicContact CB-CB 4.15Å; A130-K136 HydrophobicContact CB-CG 3.88Å
131Q88.7Confident91.8Very high139 Ų13941.6 Ų41.665%0.6523%0.229SC*.SBendtrans-80.7-25.2174.8-61.8-172.4-8.900112.5A129A129-Q131 PolarHBondContact O-N 2.91Å
132E88.9Confident91.5Very high87 Ų8743.2 Ų43.241%0.40724%0.235SC..SBendtrans-115.7140.1179.7-61-178.6170.600110.7S134 R135E132-S134 WeakPolarHBondContact CB-OG 3.32Å; E132-S134 PolarHBondContact O-N 3.49Å; E132-S134 PolarHBondContact OE2-OG 3.45Å; E132-R135 HydrophobicContact CB-CG 4.18Å; E132-R135 PolarHBondContact O-N 3.33Å; E132-R135 IonicContact OE2-CZ 3.93Å; E132-R135 IonicContact OE2-NE 2.76Å; E132-R135 PolarHBondContact OE2-NE 3.06Å; E132-R135 IonicContact OE2-NH2 3.68Å
133E87.8Confident91.1Very high140 Ų14045.8 Ų45.865%0.65426%0.256SS*.G310 helixtrans-60.3-33.9178.9-164.465-154.200112.2R135 K136E133-R135 PolarHBondContact O-N 3.32Å; E133-K136 VanDerWaalsContact CD-NZ 3.26Å; E133-K136 PolarHBondContact O-N 2.91Å; E133-K136 WeakPolarHBondContact OE1-CD 3.23Å; E133-K136 IonicContact OE1-NZ 3.5Å; E133-K136 PolarHBondContact OE1-NZ 2.56Å; E133-K136 WeakPolarHBondContact OE2-CE 3.32Å; E133-K136 IonicContact OE2-NZ 4Å; E133-K136 PolarHBondContact OE2-NZ 2.72Å
134S87.8Confident90.7Very high76 Ų7648.1 Ų48.153%0.53128%0.28SS..G310 helixtrans-59.5-25.9175.652.60000113.3E132E132-S134 WeakPolarHBondContact CB-OG 3.32Å; E132-S134 PolarHBondContact O-N 3.49Å; E132-S134 PolarHBondContact OE2-OG 3.45Å
135R89.8Confident90.5Very high8 Ų850.9 Ų50.93%0.0329%0.293CS..G310 helixtrans-98.7-5.1-175-61.6-179.9-170.5-153.2-7.9113.3Y126 A130 E132 E133 A137 I141 E157 A159 D161Y126-R135 WeakPolarHBondContact CA-O 3.41Å; Y126-R135 WeakPolarHBondContact CB-O 3.41Å; A130-R135 HydrophobicContact CB-CB 4.15Å; E132-R135 HydrophobicContact CB-CG 4.18Å; E132-R135 PolarHBondContact O-N 3.33Å; E132-R135 IonicContact OE2-CZ 3.93Å; E132-R135 IonicContact OE2-NE 2.76Å; E132-R135 PolarHBondContact OE2-NE 3.06Å; E132-R135 IonicContact OE2-NH2 3.68Å; E133-R135 PolarHBondContact O-N 3.32Å; R135-A137 VanDerWaalsContact C-N 3.3Å; R135-A137 PolarHBondContact O-N 3.05Å; R135-I141 HydrophobicContact CB-CD1 4.08Å; R135-I141 HydrophobicContact CB-CG1 4.28Å; R135-I141 WeakPolarHBondContact O-CD1 3.38Å; R135-E157 PolarHBondContact NH2-O 3.24Å; R135-E157 VanDerWaalsContact NH2-O 3.09Å; R135-A159 PolarHBondContact NH1-O 3.18Å; R135-A159 PolarHBondContact NH2-O 3.2Å; R135-D161 VanDerWaalsContact NH1-CG 3.26Å; R135-D161 IonicContact NH1-OD1 3.54Å; R135-D161 PolarHBondContact NH1-OD1 3.48Å; R135-D161 IonicContact NH1-OD2 3.54Å; R135-D161 PolarHBondContact NH1-OD2 3.28Å
136K88.8Confident90.3Very high83 Ų8352 Ų5236%0.36130%0.298SS..SBendtrans-59.5-41.5177.2-75.7-168.2-179.6161.80112.6G127 A130 E133 L138G127-K136 PolarHBondContact N-O 2.86Å; A130-K136 HydrophobicContact CB-CG 3.88Å; E133-K136 VanDerWaalsContact CD-NZ 3.26Å; E133-K136 PolarHBondContact O-N 2.91Å; E133-K136 WeakPolarHBondContact OE1-CD 3.23Å; E133-K136 IonicContact OE1-NZ 3.5Å; E133-K136 PolarHBondContact OE1-NZ 2.56Å; E133-K136 WeakPolarHBondContact OE2-CE 3.32Å; E133-K136 IonicContact OE2-NZ 4Å; E133-K136 PolarHBondContact OE2-NZ 2.72Å; K136-L138 PolarHBondContact O-N 3.46Å
137A86.3Confident90.3Very high48 Ų4856.8 Ų56.840%0.39732%0.32SS..SBendtrans-83.4112.3-179.200000111.1R135 P139 A140 I141R135-A137 VanDerWaalsContact C-N 3.3Å; R135-A137 PolarHBondContact O-N 3.05Å; A137-P139 VanDerWaalsContact C-CD 3.46Å; A137-P139 VanDerWaalsContact C-N 3.33Å; A137-A140 HydrophobicContact CB-CB 4.17Å; A137-A140 WeakPolarHBondContact O-CA 3.39Å; A137-A140 VanDerWaalsContact O-CB 3.26Å; A137-A140 WeakPolarHBondContact O-CB 3.41Å; A137-A140 PolarHBondContact O-N 3Å; A137-I141 PolarHBondContact O-N 2.94Å
138L88.5Confident90.4Very high21 Ų2157.3 Ų57.311%0.1132%0.324CS..Hα-helixtrans-53.7-39.4177.6179.563.5000114.3V90 Y126 K136 A140 I141 R142 V175V90-L138 HydrophobicContact CB-CD1 4.16Å; V90-L138 HydrophobicContact CB-CD2 4.09Å; V90-L138 HydrophobicContact CG1-CD2 3.94Å; V90-L138 HydrophobicContact CG2-CD1 4Å; V90-L138 HydrophobicContact CG2-CD2 3.94Å; Y126-L138 HydrophobicContact CD2-CB 3.65Å; Y126-L138 HydrophobicContact CD2-CD1 4.39Å; Y126-L138 HydrophobicContact CD2-CG 4.44Å; Y126-L138 HydrophobicContact CE2-CB 3.83Å; Y126-L138 HydrophobicContact CE2-CD2 4.29Å; Y126-L138 HydrophobicContact CE2-CG 4.47Å; Y126-L138 HydrophobicContact CG-CB 4.46Å; Y126-L138 HydrophobicContact CG-CD1 4.46Å; K136-L138 PolarHBondContact O-N 3.46Å; L138-A140 PolarHBondContact O-N 3.39Å; L138-I141 PolarHBondContact O-N 3.44Å; L138-R142 HydrophobicContact CD1-CG 4.4Å; L138-R142 VanDerWaalsContact CD2-CZ 3.45Å; L138-R142 VanDerWaalsContact CG-CZ 3.5Å; L138-R142 VanDerWaalsContact CG-NH2 3.26Å; L138-R142 PolarHBondContact O-N 2.87Å; L138-V175 HydrophobicContact CD1-CB 3.98Å; L138-V175 HydrophobicContact CD1-CG1 3.71Å; L138-V175 HydrophobicContact CD1-CG2 4.11Å
139P86.8Confident90.4Very high70 Ų7052.3 Ų52.346%0.45530%0.3SS..Hα-helixtrans-61.9-28.8173.9-24.936000114.1A137 R142 A143A137-P139 VanDerWaalsContact C-CD 3.46Å; A137-P139 VanDerWaalsContact C-N 3.33Å; P139-R142 PolarHBondContact O-N 3.28Å; P139-A143 PolarHBondContact O-N 3.22Å; P139-A143 VanDerWaalsContact O-N 3.13Å
140A88.1Confident90.3Very high41 Ų4154.8 Ų54.834%0.33932%0.316SS..Hα-helixtrans-67.9-42.9176.800000110.7A137 L138 A143 W158A137-A140 HydrophobicContact CB-CB 4.17Å; A137-A140 WeakPolarHBondContact O-CA 3.39Å; A137-A140 VanDerWaalsContact O-CB 3.26Å; A137-A140 WeakPolarHBondContact O-CB 3.41Å; A137-A140 PolarHBondContact O-N 3Å; L138-A140 PolarHBondContact O-N 3.39Å; A140-A143 VanDerWaalsContact O-CB 3.32Å; A140-A143 WeakPolarHBondContact O-CB 3.35Å; A140-A143 PolarHBondContact O-N 2.97Å; A140-W158 WeakPolarHBondContact O-CH2 3.18Å
141I91Very high90.3Very high2 Ų260.9 Ų60.91%0.0134%0.341CS..Hα-helixtrans-65-42175.4-53.1176000110.9M85 Y124 R135 A137 L138 A143 K152 W158 V175M85-I141 HydrophobicContact CE-CG2 4.2Å; M85-I141 HydrophobicContact SD-CG2 4.26Å; Y124-I141 HydrophobicContact CD2-CG2 4.2Å; Y124-I141 HydrophobicContact CG-CG2 4.08Å; R135-I141 HydrophobicContact CB-CD1 4.08Å; R135-I141 HydrophobicContact CB-CG1 4.28Å; R135-I141 WeakPolarHBondContact O-CD1 3.38Å; A137-I141 PolarHBondContact O-N 2.94Å; L138-I141 PolarHBondContact O-N 3.44Å; I141-A143 PolarHBondContact O-N 3.38Å; I141-K152 PolarHBondContact O-NZ 3.39Å; I141-W158 HydrophobicContact CG2-CZ3 4.38Å; I141-V175 HydrophobicContact CB-CG2 4.28Å; I141-V175 HydrophobicContact CD1-CG1 4.34Å; I141-V175 HydrophobicContact CD1-CG2 4.03Å; I141-V175 HydrophobicContact CG2-CG2 3.68Å
142R91.3Very high90.5Very high36 Ų3655.1 Ų55.114%0.13631%0.314CS..THydrogen-bonded Turntrans-76.22.5179.4-76-174.2-65.3-175.7-4.1115.1M85 D89 L138 P139 G144 E145M85-R142 HydrophobicContact CG-CG 4.14Å; M85-R142 HydrophobicContact SD-CG 3.81Å; D89-R142 WeakPolarHBondContact OD1-CD 3.45Å; D89-R142 VanDerWaalsContact OD2-CD 3.28Å; D89-R142 WeakPolarHBondContact OD2-CD 3.3Å; D89-R142 IonicContact OD2-CZ 2.73Å; D89-R142 IonicContact OD2-NE 2.69Å; D89-R142 IonicContact OD2-NH1 3.43Å; D89-R142 PolarHBondContact OD2-NH1 2.88Å; L138-R142 HydrophobicContact CD1-CG 4.4Å; L138-R142 VanDerWaalsContact CD2-CZ 3.45Å; L138-R142 VanDerWaalsContact CG-CZ 3.5Å; L138-R142 VanDerWaalsContact CG-NH2 3.26Å; L138-R142 PolarHBondContact O-N 2.87Å; P139-R142 PolarHBondContact O-N 3.28Å; R142-G144 PolarHBondContact O-N 3.01Å; R142-G144 VanDerWaalsContact O-N 3.14Å; R142-E145 PolarHBondContact O-N 2.98Å
143A88.4Confident90.7Very high54 Ų5451.3 Ų51.345%0.44630%0.297SS..THydrogen-bonded Turntrans-58.2121.6178.500000110.7P139 A140 I141 E145 K152P139-A143 PolarHBondContact O-N 3.22Å; P139-A143 VanDerWaalsContact O-N 3.13Å; A140-A143 VanDerWaalsContact O-CB 3.32Å; A140-A143 WeakPolarHBondContact O-CB 3.35Å; A140-A143 PolarHBondContact O-N 2.97Å; I141-A143 PolarHBondContact O-N 3.38Å; A143-E145 VanDerWaalsContact C-N 3.33Å; A143-K152 PolarHBondContact O-NZ 2.87Å
144G87.8Confident90.9Very high48 Ų4850.4 Ų50.450%0.49530%0.3SS..THydrogen-bonded Turntrans82.52.6-176.300000115.4R142 A148R142-G144 PolarHBondContact O-N 3.01Å; R142-G144 VanDerWaalsContact O-N 3.14Å; G144-A148 WeakPolarHBondContact O-CB 3.39Å; G144-A148 PolarHBondContact O-N 3.04Å
145E93.7Very high91.1Very high61 Ų6151.3 Ų51.329%0.28530%0.295SS..THydrogen-bonded Turntrans56.9-150.1169.9-65.5-169.1-129.300114.1P83 R84 R142 A143P83-E145 WeakPolarHBondContact CA-OE2 3.41Å; P83-E145 HydrophobicContact CB-CG 4.26Å; R84-E145 WeakPolarHBondContact CD-OE2 3.45Å; R84-E145 IonicContact CZ-OE2 2.82Å; R84-E145 PolarHBondContact N-OE2 2.86Å; R84-E145 VanDerWaalsContact N-OE2 3.15Å; R84-E145 IonicContact NE-OE2 3.03Å; R84-E145 IonicContact NH1-OE2 3.27Å; R84-E145 PolarHBondContact NH1-OE2 3.02Å; R84-E145 CarbonylContact O-C 3.6Å; R84-E145 WeakPolarHBondContact O-CA 3.07Å; R84-E145 VanDerWaalsContact O-CB 3.23Å; R84-E145 WeakPolarHBondContact O-CB 3.21Å; R142-E145 PolarHBondContact O-N 2.98Å; A143-E145 VanDerWaalsContact C-N 3.33Å
146Y94.6Very high91.1Very high25 Ų2556.6 Ų56.610%0.09833%0.33CS..THydrogen-bonded Turntrans-63.5-40.5177.8170.9-103000111.9M75 R84 A148 L149 F167 P169M75-Y146 HydrophobicContact CB-CD2 3.98Å; M75-Y146 HydrophobicContact CB-CE2 3.57Å; M75-Y146 HydrophobicContact CE-CD2 4.09Å; M75-Y146 HydrophobicContact CE-CG 4.24Å; R84-Y146 PolarHBondContact O-N 2.99Å; Y146-A148 VanDerWaalsContact C-N 3.29Å; Y146-A148 PolarHBondContact O-N 3.42Å; Y146-L149 HydrophobicContact CD2-CD1 4.4Å; Y146-L149 WeakPolarHBondContact O-CB 3.43Å; Y146-L149 PolarHBondContact O-N 3.36Å; Y146-F167 HydrophobicContact CD2-CE2 4.37Å; Y146-F167 HydrophobicContact CE1-CZ 4.41Å; Y146-F167 AromaticContact CE2-CE2 3.83Å; Y146-F167 HydrophobicContact CE2-CE2 3.83Å; Y146-F167 AromaticContact CE2-CZ 3.72Å; Y146-F167 HydrophobicContact CE2-CZ 3.72Å; Y146-F167 AromaticContact CZ-CZ 3.63Å; Y146-F167 WeakPolarHBondContact OH-CZ 3.26Å; Y146-P169 PolarHBondContact OH-O 3.44Å
147E94.9Very high91.1Very high114 Ų11458.5 Ų58.553%0.53334%0.34SS..THydrogen-bonded Turntrans-66.5-27.9-173.7-68.972.5-161.500113.1R84 P150R84-E147 IonicContact CZ-OE1 2.72Å; R84-E147 IonicContact CZ-OE2 3.48Å; R84-E147 IonicContact NH1-OE1 3.06Å; R84-E147 PolarHBondContact NH1-OE1 3.13Å; R84-E147 IonicContact NH1-OE2 2.93Å; R84-E147 PolarHBondContact NH1-OE2 2.83Å; R84-E147 IonicContact NH2-OE1 3.11Å; R84-E147 PolarHBondContact NH2-OE1 3.47Å; R84-E147 IonicContact NH2-OE2 3.37Å; E147-P150 WeakPolarHBondContact O-CD 3.34Å
148A94Very high91.4Very high22 Ų2258.7 Ų58.718%0.18233%0.331CS..THydrogen-bonded Turntrans-81.9-13.3178.500000113.8G144 Y146 E151 K152G144-A148 WeakPolarHBondContact O-CB 3.39Å; G144-A148 PolarHBondContact O-N 3.04Å; Y146-A148 VanDerWaalsContact C-N 3.29Å; Y146-A148 PolarHBondContact O-N 3.42Å; A148-E151 PolarHBondContact O-N 3.45Å; A148-K152 HydrophobicContact CB-CD 3.67Å; A148-K152 HydrophobicContact CB-CG 4.16Å; A148-K152 WeakPolarHBondContact O-CB 3.36Å; A148-K152 VanDerWaalsContact O-CG 3.23Å; A148-K152 WeakPolarHBondContact O-CG 3.25Å; A148-K152 PolarHBondContact O-N 3.23Å
149L93Very high91.6Very high2 Ų260 Ų601%0.0134%0.344CS..Hα-helixtrans-59.2-42-175.6-69.7176.5000114.7M85 Y146 E151 K152 L153 F167 A173M85-L149 HydrophobicContact CB-CD1 4.45Å; M85-L149 WeakPolarHBondContact O-CD1 3.32Å; Y146-L149 HydrophobicContact CD2-CD1 4.4Å; Y146-L149 WeakPolarHBondContact O-CB 3.43Å; Y146-L149 PolarHBondContact O-N 3.36Å; L149-E151 VanDerWaalsContact C-N 3.25Å; L149-E151 PolarHBondContact O-N 2.95Å; L149-K152 PolarHBondContact O-N 2.9Å; L149-L153 HydrophobicContact CB-CD1 4.22Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.41Å; L149-F167 HydrophobicContact CB-CD2 3.72Å; L149-F167 HydrophobicContact CB-CE2 3.8Å; L149-F167 HydrophobicContact CD1-CD2 4.48Å; L149-F167 HydrophobicContact CD1-CE2 4.21Å; L149-A173 HydrophobicContact CD1-CB 3.78Å; L149-A173 HydrophobicContact CD2-CB 3.76Å; L149-A173 HydrophobicContact CG-CB 4.46Å
150P93.4Very high92Very high56 Ų5657.5 Ų57.536%0.36433%0.328SS..Hα-helixtrans-57.4-36.9178-25.735.4000113.4E147 V154 F167E147-P150 WeakPolarHBondContact O-CD 3.34Å; P150-V154 WeakPolarHBondContact O-CG2 3.33Å; P150-F167 HydrophobicContact CG-CD1 3.92Å; P150-F167 HydrophobicContact CG-CD2 4.13Å; P150-F167 HydrophobicContact CG-CE1 3.86Å; P150-F167 HydrophobicContact CG-CE2 4.08Å; P150-F167 HydrophobicContact CG-CG 4.04Å; P150-F167 HydrophobicContact CG-CZ 3.93Å
151E93.2Very high92.4Very high145 Ų14557.1 Ų57.168%0.67832%0.32SS*.Hα-helixtrans-85-36.4178.5-63.8-175.4-178.400112.5A148 L149A148-E151 PolarHBondContact O-N 3.45Å; L149-E151 VanDerWaalsContact C-N 3.25Å; L149-E151 PolarHBondContact O-N 2.95Å
152K92.8Very high92.7Very high19 Ų1959 Ų598%0.08333%0.329CS..Hα-helixtrans-67.1-47.9-179.2-74.2175.473.5177.10111.4I141 A143 A148 L149 V154 K155 W158I141-K152 PolarHBondContact O-NZ 3.39Å; A143-K152 PolarHBondContact O-NZ 2.87Å; A148-K152 HydrophobicContact CB-CD 3.67Å; A148-K152 HydrophobicContact CB-CG 4.16Å; A148-K152 WeakPolarHBondContact O-CB 3.36Å; A148-K152 VanDerWaalsContact O-CG 3.23Å; A148-K152 WeakPolarHBondContact O-CG 3.25Å; A148-K152 PolarHBondContact O-N 3.23Å; L149-K152 PolarHBondContact O-N 2.9Å; K152-V154 PolarHBondContact O-N 3.2Å; K152-V154 VanDerWaalsContact O-N 3.1Å; K152-K155 WeakPolarHBondContact O-CB 3.46Å; K152-K155 PolarHBondContact O-N 2.93Å; K152-W158 HydrophobicContact CB-CB 4.41Å; K152-W158 HydrophobicContact CB-CG 4.24Å; K152-W158 VanDerWaalsContact O-CB 3.26Å; K152-W158 WeakPolarHBondContact O-CB 3.22Å
153L92.1Very high92.8Very high6 Ų659.1 Ų59.13%0.03134%0.341CS..THydrogen-bonded Turntrans-63.7-20-174.6-71.2167000113.7P122 Y124 L149 K155 P165 F167P122-L153 HydrophobicContact CB-CD2 3.82Å; P122-L153 HydrophobicContact CG-CD1 4.08Å; P122-L153 HydrophobicContact CG-CD2 4.1Å; Y124-L153 VanDerWaalsContact OH-CD2 3.23Å; Y124-L153 WeakPolarHBondContact OH-CD2 3.47Å; L149-L153 HydrophobicContact CB-CD1 4.22Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.41Å; L153-K155 VanDerWaalsContact C-N 3.33Å; L153-P165 WeakPolarHBondContact O-CB 3.29Å; L153-F167 HydrophobicContact CD1-CB 4.03Å; L153-F167 HydrophobicContact CD1-CD2 4.35Å
154V92.2Very high93Very high121 Ų12159 Ų5973%0.73334%0.335SS*.THydrogen-bonded Turntrans-75.9-24175.7179.50000111.9P150 K152P150-V154 WeakPolarHBondContact O-CG2 3.33Å; K152-V154 PolarHBondContact O-N 3.2Å; K152-V154 VanDerWaalsContact O-N 3.1Å
155K91.9Very high93.3Very high95 Ų9560.4 Ų60.441%0.41334%0.336SS..SBendtrans-82130.4-176.1-60.9177.9-176.7177.40110.2K152 L153 E157 W158K152-K155 WeakPolarHBondContact O-CB 3.46Å; K152-K155 PolarHBondContact O-N 2.93Å; L153-K155 VanDerWaalsContact C-N 3.33Å; K155-E157 HydrophobicContact CB-CG 3.96Å; K155-E157 PolarHBondContact O-N 3.06Å; K155-E157 VanDerWaalsContact O-N 3.17Å; K155-W158 CarbonylContact O-C 3.49Å; K155-W158 PolarHBondContact O-N 2.92Å
156P89.9Confident93.2Very high119 Ų11961.3 Ų61.377%0.77335%0.346SS*.G310 helixtrans-57.1-32.5178.4-26.834.6000114.2W158 A159P156-W158 PolarHBondContact O-N 2.78Å; P156-A159 WeakPolarHBondContact O-CB 3.49Å; P156-A159 PolarHBondContact O-N 3.09Å; P156-A159 VanDerWaalsContact O-N 3.15Å
157E90.3Very high93.2Very high124 Ų12462.9 Ų62.958%0.57935%0.353SS*.G310 helixtrans-63.5-24.5177.372.8-163.2-156.800113.2R135 K155R135-E157 PolarHBondContact NH2-O 3.24Å; R135-E157 VanDerWaalsContact NH2-O 3.09Å; K155-E157 HydrophobicContact CB-CG 3.96Å; K155-E157 PolarHBondContact O-N 3.06Å; K155-E157 VanDerWaalsContact O-N 3.17Å
158W90.9Very high93.3Very high52 Ų5259.4 Ų59.420%0.19734%0.34CS..G310 helixtrans-106.823.5178.1-73103000111.6Y124 A140 I141 K152 K155 P156Y124-W158 HydrophobicContact CE1-CE3 4.35Å; Y124-W158 PolarHBondContact OH-O 3.26Å; A140-W158 WeakPolarHBondContact O-CH2 3.18Å; I141-W158 HydrophobicContact CG2-CZ3 4.38Å; K152-W158 HydrophobicContact CB-CB 4.41Å; K152-W158 HydrophobicContact CB-CG 4.24Å; K152-W158 VanDerWaalsContact O-CB 3.26Å; K152-W158 WeakPolarHBondContact O-CB 3.22Å; K155-W158 CarbonylContact O-C 3.49Å; K155-W158 PolarHBondContact O-N 2.92Å; P156-W158 PolarHBondContact O-N 2.78Å
159A93.6Very high93.3Very high47 Ų4761.5 Ų61.539%0.38835%0.352SS..  trans-58.2128.5170.600000109.7R135 P156R135-A159 PolarHBondContact NH1-O 3.18Å; R135-A159 PolarHBondContact NH2-O 3.2Å; P156-A159 WeakPolarHBondContact O-CB 3.49Å; P156-A159 PolarHBondContact O-N 3.09Å; P156-A159 VanDerWaalsContact O-N 3.15Å
160P95.4Very high93.4Very high18 Ų1867.2 Ų67.212%0.11737%0.373CS..  trans-66.9149.3-179.529.8-35.6000110.7P122 Y124 F162 P165P122-P160 HydrophobicContact CB-CB 3.92Å; P122-P160 HydrophobicContact CB-CG 4.05Å; Y124-P160 HydrophobicContact CE1-CB 4.19Å; Y124-P160 HydrophobicContact CE2-CB 4.47Å; P160-F162 VanDerWaalsContact C-N 3.29Å; P160-P165 HydrophobicContact CG-CB 4.41Å
161D96.1Very high93.6Very high33 Ų3364.8 Ų64.818%0.17636%0.357CS..SBendtrans-68.3-33.3178.2-59-76.7000111.2V123 Y124 L125 R135V123-D161 PolarHBondContact O-N 3.32Å; Y124-D161 VanDerWaalsContact CA-OD2 3.3Å; Y124-D161 WeakPolarHBondContact CA-OD2 3.39Å; L125-D161 HydrophobicContact CB-CB 4.36Å; L125-D161 HydrophobicContact CD1-CB 4.21Å; L125-D161 HydrophobicContact CG-CB 4.03Å; L125-D161 PolarHBondContact N-OD2 3.14Å; R135-D161 VanDerWaalsContact NH1-CG 3.26Å; R135-D161 IonicContact NH1-OD1 3.54Å; R135-D161 PolarHBondContact NH1-OD1 3.48Å; R135-D161 IonicContact NH1-OD2 3.54Å; R135-D161 PolarHBondContact NH1-OD2 3.28Å
162F96.4Very high93.8Very high42 Ų4257.9 Ų57.918%0.18432%0.324CS..BIsolated β-bridgetrans-132.2142.1169.1-56.2-71.6000111.5H109 Q113 V123 L125 P160H109-F162 HydrophobicContact CB-CZ 4.43Å; Q113-F162 HydrophobicContact CB-CD1 4.13Å; Q113-F162 HydrophobicContact CB-CE1 4.1Å; Q113-F162 HydrophobicContact CB-CZ 4.48Å; V123-F162 HydrophobicContact CB-CB 4.26Å; V123-F162 PolarHBondContact N-O 2.94Å; V123-F162 PolarHBondContact O-N 3.38Å; L125-F162 HydrophobicContact CD1-CE2 3.72Å; L125-F162 HydrophobicContact CD1-CZ 4.21Å; L125-F162 HydrophobicContact CD2-CE2 3.99Å; L125-F162 HydrophobicContact CG-CD2 4.43Å; L125-F162 HydrophobicContact CG-CE2 3.91Å; P160-F162 VanDerWaalsContact C-N 3.29Å
163G94Very high93.9Very high38 Ų3857 Ų5739%0.39232%0.32SS..SBendtrans96.1175173.300000115.9S116S116-G163 WeakPolarHBondContact OG-CA 3.38Å; S116-G163 PolarHBondContact OG-N 2.88Å
164P93.6Very high94.2Very high51 Ų5156.7 Ų56.733%0.33132%0.319SS..  trans-72.7144.7177.231.3-33.8000110.2T166P164-T166 PolarHBondContact O-N 3.39Å
165P93.4Very high94.5Very high78 Ų7851 Ų5151%0.50628%0.284SS..SBendtrans-74.45216933.1-35.8000110.6L153 P160L153-P165 WeakPolarHBondContact O-CB 3.29Å; P160-P165 HydrophobicContact CG-CB 4.41Å
166T92.5Very high94.8Very high80 Ų8046.4 Ų46.449%0.49126%0.264SS..  trans-114.9130.3-177.4-57.10000109.1P164 V168P164-T166 PolarHBondContact O-N 3.39Å; T166-V168 PolarHBondContact O-N 3.47Å
167F94.4Very high95.1Very high58 Ų5840.8 Ų40.825%0.25423%0.228SC..  trans-73.6124.7175.7179.1-116.6000110.2Y146 L149 P150 L153 P169Y146-F167 HydrophobicContact CD2-CE2 4.37Å; Y146-F167 HydrophobicContact CE1-CZ 4.41Å; Y146-F167 AromaticContact CE2-CE2 3.83Å; Y146-F167 HydrophobicContact CE2-CE2 3.83Å; Y146-F167 AromaticContact CE2-CZ 3.72Å; Y146-F167 HydrophobicContact CE2-CZ 3.72Å; Y146-F167 AromaticContact CZ-CZ 3.63Å; Y146-F167 WeakPolarHBondContact OH-CZ 3.26Å; L149-F167 HydrophobicContact CB-CD2 3.72Å; L149-F167 HydrophobicContact CB-CE2 3.8Å; L149-F167 HydrophobicContact CD1-CD2 4.48Å; L149-F167 HydrophobicContact CD1-CE2 4.21Å; P150-F167 HydrophobicContact CG-CD1 3.92Å; P150-F167 HydrophobicContact CG-CD2 4.13Å; P150-F167 HydrophobicContact CG-CE1 3.86Å; P150-F167 HydrophobicContact CG-CE2 4.08Å; P150-F167 HydrophobicContact CG-CG 4.04Å; P150-F167 HydrophobicContact CG-CZ 3.93Å; L153-F167 HydrophobicContact CD1-CB 4.03Å; L153-F167 HydrophobicContact CD1-CD2 4.35Å; F167-P169 HydrophobicContact CD1-CG 4.04Å; F167-P169 HydrophobicContact CE1-CB 4.09Å; F167-P169 HydrophobicContact CE1-CG 3.84Å; F167-P169 WeakPolarHBondContact O-CD 3.28Å
168V95.4Very high95.3Very high41 Ų4134.9 Ų34.925%0.24820%0.2CC..BIsolated β-bridgetrans-108.7100.9177.3-177.40000108.1V121 T166 R170 W171 G172V121-V168 HydrophobicContact CG1-CB 4.47Å; V121-V168 HydrophobicContact CG1-CG1 4.49Å; V121-V168 HydrophobicContact CG1-CG2 4.26Å; T166-V168 PolarHBondContact O-N 3.47Å; V168-R170 VanDerWaalsContact C-N 3.32Å; V168-R170 PolarHBondContact O-N 3.45Å; V168-W171 HydrophobicContact CB-CB 4.18Å; V168-W171 HydrophobicContact CG1-CB 3.86Å; V168-W171 PolarHBondContact O-N 2.9Å; V168-G172 PolarHBondContact O-N 3.17Å
169P94.5Very high95.2Very high67 Ų6734.3 Ų34.344%0.43520%0.198SC..THydrogen-bonded Turntrans-57.1-38.8-170-27.934.6000114.8S76 Y146 F167 W171S76-P169 PolarHBondContact N-O 3.16Å; Y146-P169 PolarHBondContact OH-O 3.44Å; F167-P169 HydrophobicContact CD1-CG 4.04Å; F167-P169 HydrophobicContact CE1-CB 4.09Å; F167-P169 HydrophobicContact CE1-CG 3.84Å; F167-P169 WeakPolarHBondContact O-CD 3.28Å; P169-W171 PolarHBondContact O-N 3Å
170R95.6Very high94.8Very high122 Ų12236 Ų3646%0.4620%0.203SC..THydrogen-bonded Turntrans-70.4-21.2179.5-66.3-171.164.3-167.2-5.9113.3Q71 M75 V168Q71-R170 PolarHBondContact O-NH2 3.2Å; Q71-R170 VanDerWaalsContact O-NH2 3.15Å; M75-R170 PolarHBondContact N-O 2.93Å; V168-R170 VanDerWaalsContact C-N 3.32Å; V168-R170 PolarHBondContact O-N 3.45Å
171W97.1Very high94.2Very high5 Ų536.7 Ų36.72%0.01921%0.205CC..THydrogen-bonded Turntrans-113.8-40.1-172-172.2-90.4000114.6A66 A69 E70 M75 G86 A87 L88 L115 L119 V121 V168 P169 T174A66-W171 HydrophobicContact CB-CH2 4.04Å; A69-W171 HydrophobicContact CB-CH2 4.29Å; A69-W171 HydrophobicContact CB-CZ3 4.04Å; E70-W171 HydrophobicContact CB-CE3 4.03Å; E70-W171 HydrophobicContact CB-CZ3 3.72Å; E70-W171 HydrophobicContact CG-CE3 4.37Å; M75-W171 WeakPolarHBondContact CG-O 3.32Å; G86-W171 CarbonylContact C-O 3.59Å; G86-W171 WeakPolarHBondContact CA-O 3.26Å; A87-W171 HydrophobicContact CB-CD2 3.96Å; A87-W171 HydrophobicContact CB-CE3 3.67Å; A87-W171 HydrophobicContact CB-CH2 4.48Å; A87-W171 HydrophobicContact CB-CZ3 3.94Å; A87-W171 PolarHBondContact N-O 3.39Å; L88-W171 HydrophobicContact CB-CH2 4.04Å; L88-W171 HydrophobicContact CB-CZ2 3.69Å; L115-W171 HydrophobicContact CD1-CZ2 4.38Å; L119-W171 HydrophobicContact CD1-CE3 4.46Å; L119-W171 HydrophobicContact CD1-CH2 3.79Å; L119-W171 HydrophobicContact CD1-CZ2 4.1Å; L119-W171 HydrophobicContact CD1-CZ3 3.99Å; V121-W171 HydrophobicContact CB-CG 4.23Å; V121-W171 HydrophobicContact CG1-CB 3.92Å; V121-W171 VanDerWaalsContact CG1-CD1 3.42Å; V121-W171 HydrophobicContact CG1-CD2 4.07Å; V121-W171 HydrophobicContact CG1-CG 3.51Å; V168-W171 HydrophobicContact CB-CB 4.18Å; V168-W171 HydrophobicContact CG1-CB 3.86Å; V168-W171 PolarHBondContact O-N 2.9Å; P169-W171 PolarHBondContact O-N 3Å; W171-T174 PolarHBondContact NE1-OG1 3.38Å
172G96.5Very high93.8Very high0 Ų036.4 Ų36.40%020%0.203CC..BIsolated β-bridgetrans74.4-131.8-166.900000112.3M85 V168M85-G172 WeakPolarHBondContact O-CA 3.19Å; V168-G172 PolarHBondContact O-N 3.17Å
173A96.8Very high93.6Very high0 Ų034.5 Ų34.50%020%0.195CC..  trans-131.2152.7177.600000111.3M85 G86 P122 Y124 L149M85-A173 HydrophobicContact CE-CB 4.06Å; M85-A173 PolarHBondContact O-N 3.02Å; M85-A173 VanDerWaalsContact O-N 3.08Å; G86-A173 WeakPolarHBondContact CA-O 3.43Å; P122-A173 HydrophobicContact CG-CB 3.92Å; Y124-A173 HydrophobicContact CD2-CB 4.49Å; Y124-A173 HydrophobicContact CE2-CB 4.14Å; L149-A173 HydrophobicContact CD1-CB 3.78Å; L149-A173 HydrophobicContact CD2-CB 3.76Å; L149-A173 HydrophobicContact CG-CB 4.46Å
174T98Very high93.5Very high0 Ų033.7 Ų33.70%018%0.184CC..EExtended strand (participates in β ladder)trans-113.1142.1177.5-67.60000111.2L88 F111 L115 P122 V123 Y124 W171L88-T174 HydrophobicContact CB-CG2 4.44Å; L88-T174 HydrophobicContact CD2-CG2 3.86Å; L88-T174 HydrophobicContact CG-CG2 3.99Å; L88-T174 WeakPolarHBondContact O-CA 3.38Å; L88-T174 WeakPolarHBondContact O-CB 3.45Å; L88-T174 WeakPolarHBondContact O-CG2 3.44Å; L88-T174 PolarHBondContact O-OG1 2.96Å; F111-T174 HydrophobicContact CE1-CG2 4.45Å; L115-T174 HydrophobicContact CD2-CG2 3.69Å; P122-T174 PolarHBondContact O-N 3.28Å; P122-T174 VanDerWaalsContact O-N 3.09Å; V123-T174 CarbonylContact C-O 3.5Å; V123-T174 VanDerWaalsContact CA-O 3.24Å; V123-T174 WeakPolarHBondContact CA-O 3.35Å; Y124-T174 PolarHBondContact N-O 3.25Å; W171-T174 PolarHBondContact NE1-OG1 3.38Å
175V97.8Very high93.7Very high0 Ų031.2 Ų31.20%017%0.168CC..EExtended strand (participates in β ladder)trans-105.2137.5164.91710000110.3M85 D89 V90 C91 Y124 Y126 L138 I141M85-V175 HydrophobicContact CE-CB 4.12Å; M85-V175 HydrophobicContact CE-CG2 3.15Å; M85-V175 HydrophobicContact SD-CG2 4.46Å; D89-V175 PolarHBondContact O-N 3.43Å; V90-V175 CarbonylContact C-O 3.39Å; V90-V175 VanDerWaalsContact CA-O 3.24Å; V90-V175 WeakPolarHBondContact CA-O 3.36Å; V90-V175 HydrophobicContact CB-CB 4.39Å; V90-V175 HydrophobicContact CG2-CB 4.21Å; V90-V175 HydrophobicContact CG2-CG1 3.97Å; C91-V175 PolarHBondContact N-O 3.39Å; Y124-V175 CarbonylContact O-C 3.57Å; Y124-V175 WeakPolarHBondContact O-CA 3.47Å; Y126-V175 HydrophobicContact CD1-CG1 3.27Å; Y126-V175 HydrophobicContact CE1-CG1 4.11Å; Y126-V175 HydrophobicContact CG-CG1 3.57Å; L138-V175 HydrophobicContact CD1-CB 3.98Å; L138-V175 HydrophobicContact CD1-CG1 3.71Å; L138-V175 HydrophobicContact CD1-CG2 4.11Å; I141-V175 HydrophobicContact CB-CG2 4.28Å; I141-V175 HydrophobicContact CD1-CG1 4.34Å; I141-V175 HydrophobicContact CD1-CG2 4.03Å; I141-V175 HydrophobicContact CG2-CG2 3.68Å
176T97.9Very high93.8Very high0 Ų027.8 Ų27.80%015%0.146CC..EExtended strand (participates in β ladder)trans-131.3156.9167.3-170.80000110.4C91 A108 F111 V123 Y124 L125 Y126C91-T176 VanDerWaalsContact O-CA 3.32Å; C91-T176 WeakPolarHBondContact O-CA 3.48Å; C91-T176 WeakPolarHBondContact O-CB 3.5Å; C91-T176 PolarHBondContact O-OG1 2.85Å; A108-T176 HydrophobicContact CB-CG2 4.5Å; A108-T176 WeakPolarHBondContact O-CG2 3.42Å; F111-T176 HydrophobicContact CD1-CG2 3.98Å; F111-T176 WeakPolarHBondContact CD1-OG1 3.49Å; V123-T176 HydrophobicContact CG1-CG2 3.9Å; Y124-T176 PolarHBondContact O-N 3.32Å; L125-T176 CarbonylContact C-O 3.2Å; L125-T176 VanDerWaalsContact CA-O 3.26Å; L125-T176 WeakPolarHBondContact CA-O 3.42Å; L125-T176 HydrophobicContact CD2-CG2 3.65Å; Y126-T176 WeakPolarHBondContact CD1-O 3.41Å; Y126-T176 PolarHBondContact N-O 3.44Å
177G96.1Very high94.1Very high0 Ų024 Ų240%012%0.122CC..EExtended strand (participates in β ladder)trans-178.7179.8-179.400000112.8C91 P92 F93 Y126C91-G177 PolarHBondContact O-N 3.31Å; P92-G177 CarbonylContact C-O 3.33Å; P92-G177 WeakPolarHBondContact CA-O 3.41Å; F93-G177 PolarHBondContact N-O 3.45Å; Y126-G177 WeakPolarHBondContact O-CA 3.4Å
178A94.5Very high94.2Very high0 Ų021.2 Ų21.20%011%0.11CC..EExtended strand (participates in β ladder)trans-116.1144.5170.900000109.2F93 M101 C104 I105 E128F93-A178 VanDerWaalsContact O-CA 3.3Å; F93-A178 WeakPolarHBondContact O-CA 3.33Å; M101-A178 HydrophobicContact SD-CB 3.8Å; C104-A178 HydrophobicContact CB-CB 3.77Å; I105-A178 HydrophobicContact CB-CB 4.49Å; I105-A178 HydrophobicContact CG1-CB 3.76Å; E128-A178 WeakPolarHBondContact CB-O 3.34Å; E128-A178 PolarHBondContact N-O 2.92Å
179R89.8Confident94.4Very high41 Ų4119.3 Ų19.316%0.15510%0.098CC..  trans-149.7162.2175.958.7168.4178.478.8-6110.8P92 F93 V94 P95 M101 Y126P92-R179 HydrophobicContact CB-CG 4.37Å; F93-R179 PolarHBondContact O-N 3.29Å; V94-R179 HydrophobicContact CG2-CG 4.03Å; P95-R179 WeakPolarHBondContact CD-O 3.45Å; M101-R179 VanDerWaalsContact CE-C 3.5Å; Y126-R179 WeakPolarHBondContact OH-CD 3.29Å; Y126-R179 PolarHBondContact OH-NE 3.5Å
180T84.1Confident94.5Very high81 Ų8120.6 Ų20.650%0.49710%0.101SC..  trans-61.8162.3165.654.10000110.6M101 L182M101-T180 HydrophobicContact CE-CG2 3.92Å; T180-L182 PolarHBondContact O-N 3.34Å
181F82.9Confident94.6Very high33 Ų3315.8 Ų15.815%0.1459%0.086CC..  trans-55.9138.6174.5-159.4-84.1000110.3E6 V94 I183 L272 P274 I322E6-F181 VanDerWaalsContact OE2-CE2 3.24Å; E6-F181 WeakPolarHBondContact OE2-CE2 3.48Å; V94-F181 HydrophobicContact CG1-CB 4.21Å; V94-F181 HydrophobicContact CG1-CD2 3.86Å; V94-F181 HydrophobicContact CG1-CG 4.47Å; F181-I183 HydrophobicContact CD1-CG1 4.26Å; F181-I183 HydrophobicContact CE1-CG1 4.02Å; F181-L272 HydrophobicContact CE2-CB 4.36Å; F181-L272 HydrophobicContact CZ-CB 3.97Å; F181-L272 WeakPolarHBondContact CZ-O 3.25Å; F181-P274 HydrophobicContact CD1-CG 3.58Å; F181-P274 VanDerWaalsContact CE1-CD 3.44Å; F181-P274 HydrophobicContact CE1-CG 3.78Å; F181-P274 HydrophobicContact CG-CG 4.15Å; F181-P274 HydrophobicContact CZ-CG 4.46Å; F181-I322 HydrophobicContact CD2-CD1 3.7Å; F181-I322 HydrophobicContact CE1-CD1 4.21Å; F181-I322 HydrophobicContact CE2-CD1 3.23Å; F181-I322 HydrophobicContact CE2-CG1 4.19Å; F181-I322 HydrophobicContact CG-CD1 4.37Å; F181-I322 HydrophobicContact CZ-CD1 3.53Å; F181-I322 HydrophobicContact CZ-CG1 4.37Å
182L88.1Confident94.5Very high28 Ų2818.6 Ų18.615%0.14710%0.104CC..  trans-135134-178.1179.9158.8000106.8T180 A184 N237 L238 L239T180-L182 PolarHBondContact O-N 3.34Å; L182-A184 HydrophobicContact CD2-CB 4.3Å; L182-N237 HydrophobicContact CD1-CB 4.03Å; L182-N237 HydrophobicContact CD2-CB 3.78Å; L182-N237 WeakPolarHBondContact CD2-OD1 3.38Å; L182-N237 HydrophobicContact CG-CB 4.14Å; L182-L238 WeakPolarHBondContact CA-O 3.35Å; L182-L239 HydrophobicContact CD1-CD2 3.57Å; L182-L239 HydrophobicContact CG-CD2 4.35Å
183I92.4Very high94.5Very high1 Ų121.9 Ų21.91%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-97.5114175.3-52.2174.7000108.3F181 L238 F241 L246 L269 I273 A277F181-I183 HydrophobicContact CD1-CG1 4.26Å; F181-I183 HydrophobicContact CE1-CG1 4.02Å; I183-L238 HydrophobicContact CB-CB 4.19Å; I183-L238 PolarHBondContact N-O 3.2Å; I183-L238 VanDerWaalsContact N-O 3.11Å; I183-L238 PolarHBondContact O-N 2.96Å; I183-F241 HydrophobicContact CD1-CB 3.6Å; I183-F241 HydrophobicContact CD1-CD1 4.08Å; I183-F241 HydrophobicContact CD1-CG 3.94Å; I183-L246 HydrophobicContact CG2-CD1 4.25Å; I183-L269 HydrophobicContact CG2-CD2 3.32Å; I183-I273 HydrophobicContact CD1-CD1 4.21Å; I183-I273 HydrophobicContact CD1-CG1 4.08Å; I183-I273 HydrophobicContact CG2-CD1 4.29Å; I183-A277 HydrophobicContact CD1-CB 3.66Å
184A92.6Very high94.5Very high21 Ų2128.2 Ų28.217%0.17415%0.148CC..EExtended strand (participates in β ladder)trans-85.2114.9172.300000108.8L182 V270L182-A184 HydrophobicContact CD2-CB 4.3Å; A184-V270 HydrophobicContact CB-CB 3.85Å; A184-V270 PolarHBondContact O-N 3.41Å
185Y96.4Very high94.5Very high0 Ų030.7 Ų30.70%016%0.161CC..EExtended strand (participates in β ladder)trans-134.6114.5-167.5-174.1-129.4000111.3I187 T236 L238 L246 V249 Y250 S267 L269 L309Y185-I187 HydrophobicContact CD1-CD1 3.7Å; Y185-I187 HydrophobicContact CD1-CG1 4.24Å; Y185-I187 HydrophobicContact CE1-CD1 3.74Å; Y185-I187 HydrophobicContact CE1-CG1 3.78Å; Y185-I187 HydrophobicContact CG-CD1 4.49Å; Y185-T236 PolarHBondContact N-O 3.19Å; Y185-T236 WeakPolarHBondContact O-CA 3.17Å; Y185-T236 WeakPolarHBondContact O-CB 3.41Å; Y185-T236 PolarHBondContact O-N 3.14Å; Y185-T236 PolarHBondContact O-OG1 3.09Å; Y185-L238 HydrophobicContact CD1-CD1 4.37Å; Y185-L246 HydrophobicContact CD1-CD1 3.62Å; Y185-L246 HydrophobicContact CD2-CD1 3.75Å; Y185-L246 HydrophobicContact CE1-CD1 3.85Å; Y185-L246 HydrophobicContact CE1-CG 4.4Å; Y185-L246 HydrophobicContact CE2-CD1 3.98Å; Y185-L246 HydrophobicContact CG-CD1 3.56Å; Y185-V249 HydrophobicContact CD1-CB 4.44Å; Y185-V249 HydrophobicContact CD1-CG1 4.25Å; Y185-Y250 HydrophobicContact CE1-CD2 4.45Å; Y185-Y250 WeakPolarHBondContact OH-CD2 3.4Å; Y185-S267 VanDerWaalsContact CE2-CB 3.41Å; Y185-S267 WeakPolarHBondContact CE2-OG 3.25Å; Y185-S267 VanDerWaalsContact OH-CB 3.3Å; Y185-S267 WeakPolarHBondContact OH-CB 3.22Å; Y185-S267 PolarHBondContact OH-OG 3.27Å; Y185-L269 HydrophobicContact CD2-CD2 3.74Å; Y185-L269 HydrophobicContact CD2-CG 4.11Å; Y185-L269 HydrophobicContact CG-CD2 4.4Å; Y185-L309 HydrophobicContact CE2-CD2 3.74Å
186N96.3Very high94.5Very high6 Ų630.7 Ų30.73%0.03216%0.161CC..EExtended strand (participates in β ladder)trans-107.8124-177.8-58.6-31.5000109.5V234 S235 S267 Q268 V270N186-V234 WeakPolarHBondContact CA-O 3.42Å; N186-S235 VanDerWaalsContact OD1-CA 3.27Å; N186-S235 WeakPolarHBondContact OD1-CA 3.44Å; N186-S235 VanDerWaalsContact OD1-CB 3.23Å; N186-S235 WeakPolarHBondContact OD1-CB 3.2Å; N186-S235 PolarHBondContact OD1-OG 3.44Å; N186-S267 CarbonylContact O-C 3.59Å; N186-S267 WeakPolarHBondContact O-CA 3.4Å; N186-S267 WeakPolarHBondContact O-CB 3.34Å; N186-Q268 PolarHBondContact N-O 3.47Å; N186-Q268 PolarHBondContact O-N 2.86Å; N186-V270 WeakPolarHBondContact ND2-CG2 3.33Å
187I98.3Very high94.4Very high0 Ų033.8 Ų33.80%018%0.175CC..EExtended strand (participates in β ladder)trans-100129.2176.9-5785.2000108.8Y185 L189 Q233 V234 T236 V249 Y250 V253 V264Y185-I187 HydrophobicContact CD1-CD1 3.7Å; Y185-I187 HydrophobicContact CD1-CG1 4.24Å; Y185-I187 HydrophobicContact CE1-CD1 3.74Å; Y185-I187 HydrophobicContact CE1-CG1 3.78Å; Y185-I187 HydrophobicContact CG-CD1 4.49Å; I187-L189 WeakPolarHBondContact O-CD1 3.3Å; I187-Q233 CarbonylContact O-C 3.53Å; I187-Q233 VanDerWaalsContact O-CA 3.22Å; I187-Q233 WeakPolarHBondContact O-CA 3.48Å; I187-V234 HydrophobicContact CB-CB 4.43Å; I187-V234 PolarHBondContact N-O 2.94Å; I187-V234 PolarHBondContact O-N 2.9Å; I187-T236 HydrophobicContact CD1-CG2 4.25Å; I187-V249 HydrophobicContact CD1-CG1 4.06Å; I187-Y250 HydrophobicContact CG1-CD2 3.99Å; I187-Y250 HydrophobicContact CG2-CD2 3.95Å; I187-Y250 HydrophobicContact CG2-CE2 3.97Å; I187-V253 HydrophobicContact CB-CG1 4.03Å; I187-V253 HydrophobicContact CD1-CG2 4.16Å; I187-V253 HydrophobicContact CG1-CB 4.46Å; I187-V253 HydrophobicContact CG1-CG1 4.46Å; I187-V253 HydrophobicContact CG1-CG2 4.33Å; I187-V253 HydrophobicContact CG2-CB 4.28Å; I187-V253 HydrophobicContact CG2-CG1 3.6Å; I187-V264 HydrophobicContact CG2-CG1 3.59Å
188N98.2Very high94.5Very high0 Ų039.3 Ų39.30%020%0.196CC..EExtended strand (participates in β ladder)trans-89.9133.9-174.1-58-31.5000111.4I231 Q233 V264 V265 G266 S311N188-I231 HydrophobicContact CB-CD1 4.34Å; N188-Q233 WeakPolarHBondContact OD1-CG 3.23Å; N188-Q233 PolarHBondContact OD1-NE2 3.41Å; N188-V264 CarbonylContact O-C 3.49Å; N188-V264 WeakPolarHBondContact O-CA 3.28Å; N188-V265 HydrophobicContact CB-CG2 3.72Å; N188-V265 PolarHBondContact O-N 2.91Å; N188-G266 WeakPolarHBondContact CB-O 3.31Å; N188-G266 PolarHBondContact N-O 3.45Å; N188-S311 PolarHBondContact ND2-OG 3.38Å
189L97.9Very high94.6Very high0 Ų039.3 Ų39.30%020%0.196CC..EExtended strand (participates in β ladder)trans-132.4140.7176.7-59.498.4000111.1I187 C191 I199 A232 V234 V253 A257 P263 V264I187-L189 WeakPolarHBondContact O-CD1 3.3Å; L189-C191 VanDerWaalsContact C-N 3.32Å; L189-C191 VanDerWaalsContact CB-SG 3.54Å; L189-C191 PolarHBondContact O-N 2.86Å; L189-C191 VanDerWaalsContact O-N 3.15Å; L189-I199 HydrophobicContact CD2-CD1 3.55Å; L189-A232 PolarHBondContact N-O 3.49Å; L189-A232 PolarHBondContact O-N 3.1Å; L189-A232 VanDerWaalsContact O-N 3.1Å; L189-A232 VanDerWaalsContact O-O 3.11Å; L189-V234 HydrophobicContact CD1-CB 4.13Å; L189-V234 HydrophobicContact CD1-CG2 3.55Å; L189-V253 HydrophobicContact CD1-CG1 4.45Å; L189-A257 HydrophobicContact CD2-CB 3.81Å; L189-P263 WeakPolarHBondContact CA-O 3.41Å; L189-V264 HydrophobicContact CD2-CG2 4.21Å; L189-V264 HydrophobicContact CG-CG2 4.31Å
190L97.4Very high95Very high95 Ų9537.3 Ų37.350%0.49719%0.188SC..SBendtrans-86.479.5166.7-45.4175.4000108.9I231 P263 V265L190-I231 HydrophobicContact CD2-CD1 3.91Å; L190-I231 HydrophobicContact CD2-CG1 3.64Å; L190-P263 HydrophobicContact CB-CG 3.63Å; L190-P263 HydrophobicContact CD1-CG 3.93Å; L190-P263 HydrophobicContact CG-CG 3.95Å; L190-P263 PolarHBondContact N-O 3.02Å; L190-P263 VanDerWaalsContact N-O 3.12Å; L190-V265 HydrophobicContact CD1-CG1 3.89Å; L190-V265 HydrophobicContact CD2-CG1 4.32Å; L190-V265 HydrophobicContact CD2-CG2 3.88Å; L190-V265 HydrophobicContact CG-CG1 3.79Å; L190-V265 HydrophobicContact CG-CG2 4.05Å
191C96.7Very high95.5Very high20 Ų2035 Ų3514%0.13517%0.173CC..SBendtrans-153-173.3178.271.10000111L189 L195 A232 L262L189-C191 VanDerWaalsContact C-N 3.32Å; L189-C191 VanDerWaalsContact CB-SG 3.54Å; L189-C191 PolarHBondContact O-N 2.86Å; L189-C191 VanDerWaalsContact O-N 3.15Å; C191-L195 HydrophobicContact CB-CB 4.2Å; C191-L195 HydrophobicContact CB-CD1 4.21Å; C191-A232 VanDerWaalsContact O-CB 3.3Å; C191-A232 WeakPolarHBondContact O-CB 3.11Å; C191-L262 HydrophobicContact CB-CB 4.45Å; C191-L262 HydrophobicContact CB-CD1 3.83Å; C191-L262 HydrophobicContact CB-CD2 3.84Å; C191-L262 HydrophobicContact CB-CG 4.24Å
192T96.5Very high96.2Very high65 Ų6535 Ų3540%0.39918%0.175SC..  trans-84.4159.9174.777.90000111.4E194 L195 A196T192-E194 WeakPolarHBondContact CB-OE2 3.39Å; T192-E194 PolarHBondContact O-N 2.99Å; T192-E194 PolarHBondContact OG1-OE2 3.33Å; T192-L195 PolarHBondContact O-N 3.47Å; T192-L195 VanDerWaalsContact O-N 3.13Å; T192-A196 PolarHBondContact O-N 3.09Å
193K95.6Very high96.6Very high69 Ų6933.7 Ų33.730%0.317%0.168SC..Hα-helixtrans-52.7-41.1174.8-177.6170.2178.5160.90112.9E81 L195 A196 H197E81-K193 IonicContact OE1-NZ 3.55Å; E81-K193 PolarHBondContact OE1-NZ 2.96Å; E81-K193 IonicContact OE2-NZ 4Å; E81-K193 PolarHBondContact OE2-NZ 3.46Å; K193-L195 VanDerWaalsContact C-N 3.32Å; K193-L195 PolarHBondContact O-N 3.47Å; K193-A196 PolarHBondContact O-N 3.19Å; K193-H197 VanDerWaalsContact O-CB 3.26Å; K193-H197 WeakPolarHBondContact O-CB 3.44Å; K193-H197 PolarHBondContact O-N 3.39Å
194E96.9Very high96.7Very high132 Ų13235.4 Ų35.462%0.61717%0.174SC*.Hα-helixtrans-65.5-37.9-178.5-57.671.7-154.400111.4T192 R198T192-E194 WeakPolarHBondContact CB-OE2 3.39Å; T192-E194 PolarHBondContact O-N 2.99Å; T192-E194 PolarHBondContact OG1-OE2 3.33Å; E194-R198 VanDerWaalsContact O-CB 3.3Å; E194-R198 WeakPolarHBondContact O-CB 3.43Å; E194-R198 PolarHBondContact O-N 2.84Å
195L97.4Very high96.8Very high52 Ų5237.7 Ų37.727%0.27218%0.181SC..Hα-helixtrans-72.6-43.3178.1-69.6173.1000111.4C191 T192 K193 H197 R198 I199 L262C191-L195 HydrophobicContact CB-CB 4.2Å; C191-L195 HydrophobicContact CB-CD1 4.21Å; T192-L195 PolarHBondContact O-N 3.47Å; T192-L195 VanDerWaalsContact O-N 3.13Å; K193-L195 VanDerWaalsContact C-N 3.32Å; K193-L195 PolarHBondContact O-N 3.47Å; L195-H197 VanDerWaalsContact C-N 3.31Å; L195-H197 PolarHBondContact O-N 3.23Å; L195-R198 WeakPolarHBondContact O-CB 3.37Å; L195-R198 PolarHBondContact O-N 2.86Å; L195-I199 WeakPolarHBondContact O-CG1 3.37Å; L195-I199 PolarHBondContact O-N 3.27Å; L195-I199 VanDerWaalsContact O-N 3.1Å; L195-L262 HydrophobicContact CB-CD1 3.92Å; L195-L262 HydrophobicContact CD1-CD1 4.07Å; L195-L262 HydrophobicContact CD1-CD2 4.08Å; L195-L262 HydrophobicContact CG-CD1 4.45Å
196A97.4Very high96.5Very high0 Ų044.2 Ų44.20%021%0.211CC..Hα-helixtrans-59.5-44.817200000110.8T192 K193 R198 I199 A200 A232 V234T192-A196 PolarHBondContact O-N 3.09Å; K193-A196 PolarHBondContact O-N 3.19Å; A196-R198 VanDerWaalsContact C-N 3.34Å; A196-R198 PolarHBondContact O-N 3.5Å; A196-I199 PolarHBondContact O-N 3.38Å; A196-I199 VanDerWaalsContact O-N 3.12Å; A196-A200 PolarHBondContact O-N 2.8Å; A196-A232 HydrophobicContact CB-CB 3.87Å; A196-V234 HydrophobicContact CB-CG2 4.26Å; A196-V234 WeakPolarHBondContact O-CG2 3.36Å
197H97.1Very high96.3Very high65 Ų6543.9 Ų43.930%0.30121%0.21SC..Hα-helixtrans-63.7-40.6178.3-164.789.6000111.7K193 L195 I199 A200 L201 G223K193-H197 VanDerWaalsContact O-CB 3.26Å; K193-H197 WeakPolarHBondContact O-CB 3.44Å; K193-H197 PolarHBondContact O-N 3.39Å; L195-H197 VanDerWaalsContact C-N 3.31Å; L195-H197 PolarHBondContact O-N 3.23Å; H197-I199 VanDerWaalsContact C-N 3.28Å; H197-I199 PolarHBondContact O-N 3.09Å; H197-A200 WeakPolarHBondContact O-CB 3.34Å; H197-A200 PolarHBondContact O-N 3.35Å; H197-L201 VanDerWaalsContact O-CG 3.29Å; H197-L201 WeakPolarHBondContact O-CG 3.5Å; H197-L201 PolarHBondContact O-N 3.15Å; H197-G223 PolarHBondContact ND1-N 3.17Å; H197-G223 VanDerWaalsContact ND1-N 3.14Å; H197-G223 PolarHBondContact ND1-O 3.32Å
198R97.1Very high96Very high116 Ų11649.8 Ų49.844%0.43823%0.232SC..Hα-helixtrans-56.5-40.4173.2178.6-177.4173.9170.21.3112.4E194 L195 A196 N202E194-R198 VanDerWaalsContact O-CB 3.3Å; E194-R198 WeakPolarHBondContact O-CB 3.43Å; E194-R198 PolarHBondContact O-N 2.84Å; L195-R198 WeakPolarHBondContact O-CB 3.37Å; L195-R198 PolarHBondContact O-N 2.86Å; A196-R198 VanDerWaalsContact C-N 3.34Å; A196-R198 PolarHBondContact O-N 3.5Å; R198-N202 VanDerWaalsContact O-CG 3.26Å; R198-N202 PolarHBondContact O-N 2.95Å; R198-N202 PolarHBondContact O-ND2 3.07Å; R198-N202 PolarHBondContact O-OD1 3.17Å
199I97.7Very high95.3Very high0 Ų051.2 Ų51.20%025%0.247CC..Hα-helixtrans-69.3-45177-64.3170000110.2L189 L195 A196 H197 L201 N202 I203 V234 V253 D256 A257 L260 L262L189-I199 HydrophobicContact CD2-CD1 3.55Å; L195-I199 WeakPolarHBondContact O-CG1 3.37Å; L195-I199 PolarHBondContact O-N 3.27Å; L195-I199 VanDerWaalsContact O-N 3.1Å; A196-I199 PolarHBondContact O-N 3.38Å; A196-I199 VanDerWaalsContact O-N 3.12Å; H197-I199 VanDerWaalsContact C-N 3.28Å; H197-I199 PolarHBondContact O-N 3.09Å; I199-L201 VanDerWaalsContact C-N 3.26Å; I199-L201 PolarHBondContact O-N 2.63Å; I199-N202 WeakPolarHBondContact O-CB 3.18Å; I199-N202 PolarHBondContact O-N 2.57Å; I199-I203 PolarHBondContact O-N 3.25Å; I199-V234 HydrophobicContact CB-CG2 3.95Å; I199-V234 HydrophobicContact CG2-CG2 3.96Å; I199-V253 HydrophobicContact CG2-CB 4.46Å; I199-V253 HydrophobicContact CG2-CG1 4.16Å; I199-V253 HydrophobicContact CG2-CG2 4.21Å; I199-D256 HydrophobicContact CG1-CB 4.13Å; I199-D256 HydrophobicContact CG2-CB 3.92Å; I199-A257 HydrophobicContact CD1-CB 4.2Å; I199-L260 HydrophobicContact CD1-CD1 4.27Å; I199-L260 HydrophobicContact CG1-CD1 4.05Å; I199-L262 HydrophobicContact CD1-CD1 4.3Å
200A97.2Very high94.5Very high0 Ų057.6 Ų57.60%029%0.286CS..Hα-helixtrans-55.5-41.5176.400000112.2A196 H197 N202 I203 R204 I222 V234A196-A200 PolarHBondContact O-N 2.8Å; H197-A200 WeakPolarHBondContact O-CB 3.34Å; H197-A200 PolarHBondContact O-N 3.35Å; A200-N202 VanDerWaalsContact C-N 3.27Å; A200-N202 PolarHBondContact O-N 2.62Å; A200-I203 WeakPolarHBondContact O-CG1 3.27Å; A200-I203 PolarHBondContact O-N 3.27Å; A200-R204 WeakPolarHBondContact O-CB 3.42Å; A200-R204 VanDerWaalsContact O-CG 3.28Å; A200-R204 WeakPolarHBondContact O-CG 3.36Å; A200-R204 PolarHBondContact O-N 3.4Å; A200-I222 VanDerWaalsContact CB-C 3.44Å; A200-V234 HydrophobicContact CB-CG1 3.98Å
201L96.3Very high94.1Very high32 Ų3260 Ų6017%0.16830%0.299CS..Hα-helixtrans-63.1-28.2175.3-69177.9000113.7H197 I199 G207 R208H197-L201 VanDerWaalsContact O-CG 3.29Å; H197-L201 WeakPolarHBondContact O-CG 3.5Å; H197-L201 PolarHBondContact O-N 3.15Å; I199-L201 VanDerWaalsContact C-N 3.26Å; I199-L201 PolarHBondContact O-N 2.63Å; L201-G207 CarbonylContact O-C 3.36Å; L201-G207 WeakPolarHBondContact O-CA 3.42Å; L201-R208 HydrophobicContact CB-CG 3.87Å; L201-R208 HydrophobicContact CD1-CG 4.24Å; L201-R208 HydrophobicContact CG-CG 4.5Å
202N96.3Very high93.8Very high34 Ų3465.1 Ų65.118%0.18232%0.321CS..Hα-helixtrans-81.2-31.7179.8-62.5-18.5000112.1R198 I199 A200 R208 G214 R215 D256R198-N202 VanDerWaalsContact O-CG 3.26Å; R198-N202 PolarHBondContact O-N 2.95Å; R198-N202 PolarHBondContact O-ND2 3.07Å; R198-N202 PolarHBondContact O-OD1 3.17Å; I199-N202 WeakPolarHBondContact O-CB 3.18Å; I199-N202 PolarHBondContact O-N 2.57Å; A200-N202 VanDerWaalsContact C-N 3.27Å; A200-N202 PolarHBondContact O-N 2.62Å; N202-R208 PolarHBondContact OD1-NE 3.31Å; N202-R208 PolarHBondContact OD1-NH2 2.64Å; N202-G214 CarbonylContact O-C 3.38Å; N202-G214 WeakPolarHBondContact O-CA 3.45Å; N202-R215 PolarHBondContact O-N 3.32Å; N202-D256 VanDerWaalsContact CB-OD2 3.24Å; N202-D256 WeakPolarHBondContact CB-OD2 3.41Å; N202-D256 PolarHBondContact ND2-OD2 2.9Å
203I96.4Very high93.7Very high0 Ų066 Ų660%033%0.328CS..Hα-helixtrans-91.4-37.6-17566176.7000112.7I199 A200 L216 V234 T236 V249 E252 V253I199-I203 PolarHBondContact O-N 3.25Å; A200-I203 WeakPolarHBondContact O-CG1 3.27Å; A200-I203 PolarHBondContact O-N 3.27Å; I203-L216 HydrophobicContact CB-CD1 4.1Å; I203-L216 HydrophobicContact CB-CG 4.36Å; I203-L216 WeakPolarHBondContact O-CA 3.27Å; I203-L216 VanDerWaalsContact O-CB 3.25Å; I203-L216 WeakPolarHBondContact O-CB 3.24Å; I203-L216 PolarHBondContact O-N 3.4Å; I203-V234 HydrophobicContact CD1-CG1 3.65Å; I203-T236 HydrophobicContact CD1-CG2 3.82Å; I203-V249 HydrophobicContact CD1-CG1 4.41Å; I203-E252 HydrophobicContact CG2-CB 4.45Å; I203-V253 HydrophobicContact CD1-CG2 3.5Å; I203-V253 HydrophobicContact CG2-CG2 4.47Å
204R95.1Very high93.6Very high37 Ų3763.3 Ų63.314%0.1432%0.32CS..SBendtrans-67.5145.2-173.775.8-171.5-169.5171.43.1111.4A200 Q206 G207 G214 V219 G221A200-R204 WeakPolarHBondContact O-CB 3.42Å; A200-R204 VanDerWaalsContact O-CG 3.28Å; A200-R204 WeakPolarHBondContact O-CG 3.36Å; A200-R204 PolarHBondContact O-N 3.4Å; R204-Q206 VanDerWaalsContact C-N 3.31Å; R204-Q206 PolarHBondContact O-N 3.35Å; R204-G207 PolarHBondContact NE-O 3.45Å; R204-G207 PolarHBondContact NH2-O 3.47Å; R204-G207 VanDerWaalsContact NH2-O 3.11Å; R204-G207 WeakPolarHBondContact O-CA 3.24Å; R204-G207 PolarHBondContact O-N 3.15Å; R204-G214 WeakPolarHBondContact O-CA 3.25Å; R204-G214 PolarHBondContact O-N 3.41Å; R204-V219 CarbonylContact C-O 3.48Å; R204-V219 WeakPolarHBondContact CA-O 3.47Å; R204-G221 WeakPolarHBondContact CD-O 3.26Å; R204-G221 PolarHBondContact NH1-O 3.34Å
205E94.2Very high93.6Very high68 Ų6861.9 Ų61.932%0.31831%0.309SS..THydrogen-bonded Turntrans-56.2-43.2-173.3-177.5167.6-165.500113G207 P213 G214 L216 K217 K218 V219E205-G207 PolarHBondContact O-N 2.96Å; E205-P213 WeakPolarHBondContact O-CA 3.41Å; E205-P213 WeakPolarHBondContact O-CB 3.45Å; E205-G214 PolarHBondContact O-N 3.32Å; E205-L216 VanDerWaalsContact CA-O 3.25Å; E205-L216 WeakPolarHBondContact CA-O 3.22Å; E205-L216 WeakPolarHBondContact CB-O 3.34Å; E205-L216 PolarHBondContact N-O 3.36Å; E205-K217 HydrophobicContact CG-CD 4.21Å; E205-K217 IonicContact OE1-NZ 3.66Å; E205-K218 WeakPolarHBondContact OE2-CA 3.45Å; E205-K218 PolarHBondContact OE2-N 3.22Å; E205-V219 PolarHBondContact N-O 3.3Å
206Q90Very high93.6Very high137 Ų13759.6 Ų59.664%0.6430%0.297SS*.THydrogen-bonded Turntrans-62.8-22.4177.4-172.2-178.86.500113.1R204R204-Q206 VanDerWaalsContact C-N 3.31Å; R204-Q206 PolarHBondContact O-N 3.35Å
207G92.4Very high93.4Very high0 Ų064.6 Ų64.60%032%0.319CS..THydrogen-bonded Turntrans59.3-137.8-177.900000113.7L201 R204 E205 Q212 G214L201-G207 CarbonylContact O-C 3.36Å; L201-G207 WeakPolarHBondContact O-CA 3.42Å; R204-G207 PolarHBondContact NE-O 3.45Å; R204-G207 PolarHBondContact NH2-O 3.47Å; R204-G207 VanDerWaalsContact NH2-O 3.11Å; R204-G207 WeakPolarHBondContact O-CA 3.24Å; R204-G207 PolarHBondContact O-N 3.15Å; E205-G207 PolarHBondContact O-N 2.96Å; G207-Q212 VanDerWaalsContact CA-O 3.29Å; G207-Q212 WeakPolarHBondContact CA-O 3.49Å; G207-G214 VanDerWaalsContact CA-N 3.27Å
208R91.9Very high93.2Very high123 Ų12366.2 Ų66.246%0.46433%0.325SS..THydrogen-bonded Turntrans-92.5-6-179.6-65.9178.4-178.8-138.9-0.9113.7L201 N202 Q212L201-R208 HydrophobicContact CB-CG 3.87Å; L201-R208 HydrophobicContact CD1-CG 4.24Å; L201-R208 HydrophobicContact CG-CG 4.5Å; N202-R208 PolarHBondContact OD1-NE 3.31Å; N202-R208 PolarHBondContact OD1-NH2 2.64Å; R208-Q212 HydrophobicContact CB-CB 4.38Å; R208-Q212 PolarHBondContact N-O 3.09Å
209G84.3Confident93.1Very high30 Ų3060.7 Ų60.731%0.30930%0.304SS..BIsolated β-bridgetrans160.6174.2-173.400000110.1D211 Q212G209-D211 PolarHBondContact O-N 3.49Å; G209-D211 VanDerWaalsContact O-N 3.16Å; G209-Q212 CarbonylContact O-C 3.43Å; G209-Q212 PolarHBondContact O-N 2.86Å; G209-Q212 VanDerWaalsContact O-N 3.12Å
210T81.3Confident92.9Very high135 Ų13564.5 Ų64.583%0.82832%0.322SS*.THydrogen-bonded Turntrans-56.3-33.6-175.844.70000113.8
211D88.1Confident92.7Very high145 Ų14565 Ų6578%0.77533%0.327SS*.THydrogen-bonded Turntrans-92.4-5.1-175.6-52-42.3000113.6G209G209-D211 PolarHBondContact O-N 3.49Å; G209-D211 VanDerWaalsContact O-N 3.16Å
212Q90.9Very high92.7Very high128 Ų12866 Ų6660%0.59833%0.332SS*.BIsolated β-bridgetrans-136.371.2-177-68.4-179.945.700110G207 R208 G209G207-Q212 VanDerWaalsContact CA-O 3.29Å; G207-Q212 WeakPolarHBondContact CA-O 3.49Å; R208-Q212 HydrophobicContact CB-CB 4.38Å; R208-Q212 PolarHBondContact N-O 3.09Å; G209-Q212 CarbonylContact O-C 3.43Å; G209-Q212 PolarHBondContact O-N 2.86Å; G209-Q212 VanDerWaalsContact O-N 3.12Å
213P93.1Very high92.6Very high83 Ų8364.5 Ų64.554%0.53933%0.325SS..  trans-64.5153.3176.129-35.2000110.9E205E205-P213 WeakPolarHBondContact O-CA 3.41Å; E205-P213 WeakPolarHBondContact O-CB 3.45Å
214G94.8Very high92.4Very high13 Ų1365.7 Ų65.713%0.13433%0.33CS..  trans-79.8-177.7174.300000112.4N202 R204 E205 G207N202-G214 CarbonylContact O-C 3.38Å; N202-G214 WeakPolarHBondContact O-CA 3.45Å; R204-G214 WeakPolarHBondContact O-CA 3.25Å; R204-G214 PolarHBondContact O-N 3.41Å; E205-G214 PolarHBondContact O-N 3.32Å; G207-G214 VanDerWaalsContact CA-N 3.27Å
215R96.4Very high92.3Very high101 Ų10165.9 Ų65.938%0.38133%0.331SS..SBendtrans-79.1-35.7-171.6-62.7-169.3-62.1-89.5-3.2113.9N202 E252 D256N202-R215 PolarHBondContact O-N 3.32Å; R215-E252 IonicContact CZ-OE2 2.95Å; R215-E252 VanDerWaalsContact CZ-OE2 3.27Å; R215-E252 IonicContact NE-OE2 2.89Å; R215-E252 PolarHBondContact NE-OE2 3.49Å; R215-E252 IonicContact NH2-OE2 3.04Å; R215-E252 PolarHBondContact NH2-OE2 3.01Å; R215-D256 IonicContact CZ-OD1 3.92Å; R215-D256 IonicContact CZ-OD2 3.39Å; R215-D256 IonicContact NH1-OD1 3.1Å; R215-D256 PolarHBondContact NH1-OD1 2.86Å; R215-D256 VanDerWaalsContact NH1-OD1 3.1Å; R215-D256 IonicContact NH1-OD2 3.08Å; R215-D256 PolarHBondContact NH1-OD2 3.05Å; R215-D256 VanDerWaalsContact NH1-OD2 3.08Å; R215-D256 IonicContact NH2-OD1 3.08Å; R215-D256 PolarHBondContact NH2-OD1 3.4Å; R215-D256 IonicContact NH2-OD2 2.85Å; R215-D256 PolarHBondContact NH2-OD2 3.49Å
216L96.9Very high92.1Very high5 Ų563.1 Ų63.13%0.02632%0.318CS..SBendtrans-98.5132.1-171.6-54.8-178.7000111.1I203 E205 V219 T244 E248 V249 E252I203-L216 HydrophobicContact CB-CD1 4.1Å; I203-L216 HydrophobicContact CB-CG 4.36Å; I203-L216 WeakPolarHBondContact O-CA 3.27Å; I203-L216 VanDerWaalsContact O-CB 3.25Å; I203-L216 WeakPolarHBondContact O-CB 3.24Å; I203-L216 PolarHBondContact O-N 3.4Å; E205-L216 VanDerWaalsContact CA-O 3.25Å; E205-L216 WeakPolarHBondContact CA-O 3.22Å; E205-L216 WeakPolarHBondContact CB-O 3.34Å; E205-L216 PolarHBondContact N-O 3.36Å; L216-V219 HydrophobicContact CB-CB 3.99Å; L216-V219 HydrophobicContact CB-CG2 3.76Å; L216-V219 HydrophobicContact CD1-CG2 4.31Å; L216-T244 HydrophobicContact CB-CG2 4.1Å; L216-T244 HydrophobicContact CD1-CG2 4.17Å; L216-T244 HydrophobicContact CD2-CG2 4.21Å; L216-T244 HydrophobicContact CG-CG2 4.39Å; L216-E248 HydrophobicContact CD2-CG 4.08Å; L216-V249 HydrophobicContact CD1-CB 4.21Å; L216-V249 HydrophobicContact CD1-CG1 4.36Å; L216-V249 HydrophobicContact CD1-CG2 3.9Å; L216-E252 HydrophobicContact CD1-CB 4.45Å; L216-E252 HydrophobicContact CD2-CG 4.25Å
217K94.8Very high92Very high105 Ų10562.4 Ų62.446%0.45732%0.315SS..THydrogen-bonded Turntrans-82.1151175.8-63.9-57.6-173.6-178.20109.7E205 V219 T243 T244E205-K217 HydrophobicContact CG-CD 4.21Å; E205-K217 IonicContact OE1-NZ 3.66Å; K217-V219 PolarHBondContact O-N 2.93Å; K217-T243 HydrophobicContact CB-CG2 4.14Å; K217-T244 PolarHBondContact O-OG1 2.9Å
218K93.1Very high91.8Very high99 Ų9966.2 Ų66.243%0.4333%0.333SS..THydrogen-bonded Turntrans55.925.5177.9-59.5-65-174.2174.10113.8E205 L239 D240 T243E205-K218 WeakPolarHBondContact OE2-CA 3.45Å; E205-K218 PolarHBondContact OE2-N 3.22Å; K218-L239 HydrophobicContact CB-CB 4.2Å; K218-L239 VanDerWaalsContact O-CB 3.29Å; K218-L239 WeakPolarHBondContact O-CB 3.48Å; K218-L239 WeakPolarHBondContact O-CG 3.38Å; K218-L239 PolarHBondContact O-N 3.29Å; K218-D240 HydrophobicContact CB-CB 4.09Å; K218-D240 HydrophobicContact CG-CB 4.22Å; K218-T243 HydrophobicContact CG-CG2 4.2Å
219V95Very high91.7Very high0 Ų065.6 Ų65.60%033%0.333CS..EExtended strand (participates in β ladder)trans-116.3125.9173.7176.50000109.1R204 E205 L216 K217 T236 N237 T244 V249R204-V219 CarbonylContact C-O 3.48Å; R204-V219 WeakPolarHBondContact CA-O 3.47Å; E205-V219 PolarHBondContact N-O 3.3Å; L216-V219 HydrophobicContact CB-CB 3.99Å; L216-V219 HydrophobicContact CB-CG2 3.76Å; L216-V219 HydrophobicContact CD1-CG2 4.31Å; K217-V219 PolarHBondContact O-N 2.93Å; V219-T236 HydrophobicContact CG1-CG2 4.44Å; V219-N237 WeakPolarHBondContact CA-O 3.13Å; V219-T244 HydrophobicContact CG2-CG2 3.73Å; V219-V249 HydrophobicContact CG2-CG2 4.08Å
220Q93.3Very high92.1Very high80 Ų8069.6 Ų69.637%0.37435%0.348SS..EExtended strand (participates in β ladder)trans-107.2152.4166.4-67.1177.8-1200108.8T236 N237 L239Q220-T236 CarbonylContact O-C 3.54Å; Q220-T236 WeakPolarHBondContact O-CA 3.45Å; Q220-T236 WeakPolarHBondContact O-CB 3.22Å; Q220-N237 HydrophobicContact CB-CB 4.35Å; Q220-N237 PolarHBondContact N-O 3.49Å; Q220-N237 PolarHBondContact O-N 3.02Å; Q220-L239 HydrophobicContact CG-CD1 4.11Å
221G93.3Very high92.8Very high11 Ų1164.1 Ų64.111%0.11331%0.313CS..EExtended strand (participates in β ladder)trans-174.9162176.800000115R204 S235R204-G221 WeakPolarHBondContact CD-O 3.26Å; R204-G221 PolarHBondContact NH1-O 3.34Å; G221-S235 CarbonylContact C-O 3.47Å; G221-S235 WeakPolarHBondContact CA-O 3.33Å
222I94.3Very high93.2Very high51 Ų5157.2 Ų57.226%0.26228%0.276SS..EExtended strand (participates in β ladder)trans-145.9158.1176.857172.7000109.3A200 W224 S235A200-I222 VanDerWaalsContact CB-C 3.44Å; I222-W224 HydrophobicContact CD1-CE3 3.86Å; I222-W224 HydrophobicContact CD1-CZ3 4.19Å; I222-W224 HydrophobicContact CG1-CE3 4.17Å; I222-W224 HydrophobicContact CG1-CZ3 4.48Å; I222-S235 PolarHBondContact N-O 3.03Å; I222-S235 PolarHBondContact O-N 2.83Å
223G94.5Very high93.5Very high4 Ų451.2 Ų51.24%0.04125%0.248CC..EExtended strand (participates in β ladder)trans-96.2138.9166.200000112.1H197 Q233H197-G223 PolarHBondContact ND1-N 3.17Å; H197-G223 VanDerWaalsContact ND1-N 3.14Å; H197-G223 PolarHBondContact ND1-O 3.32Å; G223-Q233 VanDerWaalsContact CA-O 3.26Å; G223-Q233 WeakPolarHBondContact CA-O 3.26Å
224W92.3Very high93.7Very high24 Ų2447.3 Ų47.39%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-140.5178.71746242.7000111.4T44 H82 I222 Q233 S235T44-W224 HydrophobicContact CG2-CD2 4.5Å; H82-W224 AromaticContact CD2-CZ3 3.42Å; H82-W224 VanDerWaalsContact CD2-CZ3 3.42Å; H82-W224 WeakPolarHBondContact CD2-CZ3 3.49Å; H82-W224 AromaticContact NE2-CZ3 3.95Å; I222-W224 HydrophobicContact CD1-CE3 3.86Å; I222-W224 HydrophobicContact CD1-CZ3 4.19Å; I222-W224 HydrophobicContact CG1-CE3 4.17Å; I222-W224 HydrophobicContact CG1-CZ3 4.48Å; W224-Q233 PolarHBondContact N-O 3.48Å; W224-Q233 VanDerWaalsContact N-O 3.09Å; W224-Q233 PolarHBondContact O-N 3.37Å; W224-S235 VanDerWaalsContact CH2-CB 3.49Å; W224-S235 WeakPolarHBondContact CH2-OG 3.33Å; W224-S235 VanDerWaalsContact CZ2-CB 3.43Å; W224-S235 WeakPolarHBondContact CZ2-OG 3.32Å; W224-S235 WeakPolarHBondContact CZ3-OG 3.48Å
225Y92.9Very high93.7Very high42 Ų4247.2 Ų47.217%0.16522%0.22CC..EExtended strand (participates in β ladder)trans-126.1136.3178.8-159.6-98.6000111.4E81 E227 N230 A232E81-Y225 PolarHBondContact OE2-N 3.38Å; E81-Y225 VanDerWaalsContact OE2-N 3.09Å; Y225-E227 HydrophobicContact CD1-CG 4.24Å; Y225-N230 PolarHBondContact OH-OD1 3.07Å; Y225-A232 HydrophobicContact CD2-CB 3.83Å; Y225-A232 HydrophobicContact CE2-CB 4.22Å
226L90.4Very high93.7Very high10 Ų1042.4 Ų42.45%0.05220%0.202CC..EExtended strand (participates in β ladder)trans-101.3102.2171.7-59.6-176.1000108.3T44 E228 K229 N230 I231 Q233 L312T44-L226 HydrophobicContact CG2-CD2 4.38Å; L226-E228 VanDerWaalsContact C-N 3.34Å; L226-K229 HydrophobicContact CB-CB 4.14Å; L226-K229 HydrophobicContact CB-CG 4.4Å; L226-K229 HydrophobicContact CD1-CG 4.34Å; L226-K229 CarbonylContact O-C 3.6Å; L226-K229 PolarHBondContact O-N 3.42Å; L226-N230 WeakPolarHBondContact O-CA 3.3Å; L226-N230 PolarHBondContact O-N 3.38Å; L226-I231 HydrophobicContact CB-CG2 4.39Å; L226-I231 HydrophobicContact CD1-CG2 4.33Å; L226-I231 PolarHBondContact N-O 3.23Å; L226-I231 PolarHBondContact O-N 3.11Å; L226-I231 VanDerWaalsContact O-N 3.13Å; L226-Q233 HydrophobicContact CD1-CG 4.24Å; L226-Q233 HydrophobicContact CG-CG 4.42Å; L226-L312 HydrophobicContact CD1-CD1 4.03Å
227E88Confident93.6Very high122 Ų12244.8 Ų44.857%0.5722%0.215SC*.G310 helixtrans-63.5-41.2179.8-64.2-70.8178.800110.8S43 Y225 K229 N230S43-E227 WeakPolarHBondContact OG-CB 3.43Å; S43-E227 WeakPolarHBondContact OG-CG 3.48Å; S43-E227 PolarHBondContact OG-N 3.1Å; Y225-E227 HydrophobicContact CD1-CG 4.24Å; E227-K229 PolarHBondContact O-N 3.44Å; E227-K229 VanDerWaalsContact O-N 3.17Å; E227-N230 PolarHBondContact O-N 3.14Å; E227-N230 VanDerWaalsContact O-N 3.11Å
228E87.9Confident93.6Very high80 Ų8039.9 Ų39.937%0.37419%0.193SC..G310 helixtrans-67.6-18.3-178.473-74.717200113.7P42 S43 L226P42-E228 HydrophobicContact CB-CG 4.43Å; P42-E228 HydrophobicContact CG-CB 4.5Å; P42-E228 HydrophobicContact CG-CG 4.06Å; S43-E228 WeakPolarHBondContact CB-OE2 3.45Å; S43-E228 PolarHBondContact N-OE2 2.89Å; S43-E228 PolarHBondContact OG-OE2 3.38Å; L226-E228 VanDerWaalsContact C-N 3.34Å
229K89.6Confident93.4Very high109 Ų10937.4 Ų37.447%0.47419%0.185SC..G310 helixtrans-108.9-5.9175.3-57.4-58.5-178.7172.20113L226 E227 I231 L312L226-K229 HydrophobicContact CB-CB 4.14Å; L226-K229 HydrophobicContact CB-CG 4.4Å; L226-K229 HydrophobicContact CD1-CG 4.34Å; L226-K229 CarbonylContact O-C 3.6Å; L226-K229 PolarHBondContact O-N 3.42Å; E227-K229 PolarHBondContact O-N 3.44Å; E227-K229 VanDerWaalsContact O-N 3.17Å; K229-I231 VanDerWaalsContact C-N 3.29Å; K229-I231 HydrophobicContact CB-CB 4.27Å; K229-I231 HydrophobicContact CB-CG2 4.36Å; K229-I231 PolarHBondContact O-N 3.33Å; K229-L312 HydrophobicContact CD-CD2 4.48Å; K229-L312 HydrophobicContact CG-CD2 4.18Å
230N93.4Very high93.2Very high115 Ų11540 Ų4062%0.61520%0.199SC*.THydrogen-bonded Turntrans48.649.8-172.3-167.244000112Y225 L226 E227Y225-N230 PolarHBondContact OH-OD1 3.07Å; L226-N230 WeakPolarHBondContact O-CA 3.3Å; L226-N230 PolarHBondContact O-N 3.38Å; E227-N230 PolarHBondContact O-N 3.14Å; E227-N230 VanDerWaalsContact O-N 3.11Å
231I95.3Very high93.1Very high20 Ų2037.4 Ų37.410%0.10319%0.186CC..EExtended strand (participates in β ladder)trans-140.4141.7-172.1-122.5168.6000111.4N188 L190 L226 K229 Q233 V265N188-I231 HydrophobicContact CB-CD1 4.34Å; L190-I231 HydrophobicContact CD2-CD1 3.91Å; L190-I231 HydrophobicContact CD2-CG1 3.64Å; L226-I231 HydrophobicContact CB-CG2 4.39Å; L226-I231 HydrophobicContact CD1-CG2 4.33Å; L226-I231 PolarHBondContact N-O 3.23Å; L226-I231 PolarHBondContact O-N 3.11Å; L226-I231 VanDerWaalsContact O-N 3.13Å; K229-I231 VanDerWaalsContact C-N 3.29Å; K229-I231 HydrophobicContact CB-CB 4.27Å; K229-I231 HydrophobicContact CB-CG2 4.36Å; K229-I231 PolarHBondContact O-N 3.33Å; I231-Q233 HydrophobicContact CG2-CG 4.09Å; I231-V265 HydrophobicContact CD1-CG2 3.67Å; I231-V265 HydrophobicContact CG1-CG2 4.37Å
232A96.7Very high92.9Very high0 Ų042.6 Ų42.60%021%0.207CC..EExtended strand (participates in β ladder)trans-90.3151.8168.800000110.3L189 C191 A196 Y225L189-A232 PolarHBondContact N-O 3.49Å; L189-A232 PolarHBondContact O-N 3.1Å; L189-A232 VanDerWaalsContact O-N 3.1Å; L189-A232 VanDerWaalsContact O-O 3.11Å; C191-A232 VanDerWaalsContact O-CB 3.3Å; C191-A232 WeakPolarHBondContact O-CB 3.11Å; A196-A232 HydrophobicContact CB-CB 3.87Å; Y225-A232 HydrophobicContact CD2-CB 3.83Å; Y225-A232 HydrophobicContact CE2-CB 4.22Å
233Q97.3Very high92.9Very high2 Ų243.7 Ų43.71%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-131.6143.7174.1-62.8-176.7-48.300111.9I187 N188 G223 W224 L226 I231 L312I187-Q233 CarbonylContact O-C 3.53Å; I187-Q233 VanDerWaalsContact O-CA 3.22Å; I187-Q233 WeakPolarHBondContact O-CA 3.48Å; N188-Q233 WeakPolarHBondContact OD1-CG 3.23Å; N188-Q233 PolarHBondContact OD1-NE2 3.41Å; G223-Q233 VanDerWaalsContact CA-O 3.26Å; G223-Q233 WeakPolarHBondContact CA-O 3.26Å; W224-Q233 PolarHBondContact N-O 3.48Å; W224-Q233 VanDerWaalsContact N-O 3.09Å; W224-Q233 PolarHBondContact O-N 3.37Å; L226-Q233 HydrophobicContact CD1-CG 4.24Å; L226-Q233 HydrophobicContact CG-CG 4.42Å; I231-Q233 HydrophobicContact CG2-CG 4.09Å; Q233-L312 VanDerWaalsContact NE2-CD1 3.3Å
234V97.6Very high93Very high0 Ų043.7 Ų43.70%022%0.215CC..EExtended strand (participates in β ladder)trans-89.198.9158.3173.10000106.4N186 I187 L189 A196 I199 A200 I203 T236 V253N186-V234 WeakPolarHBondContact CA-O 3.42Å; I187-V234 HydrophobicContact CB-CB 4.43Å; I187-V234 PolarHBondContact N-O 2.94Å; I187-V234 PolarHBondContact O-N 2.9Å; L189-V234 HydrophobicContact CD1-CB 4.13Å; L189-V234 HydrophobicContact CD1-CG2 3.55Å; A196-V234 HydrophobicContact CB-CG2 4.26Å; A196-V234 WeakPolarHBondContact O-CG2 3.36Å; I199-V234 HydrophobicContact CB-CG2 3.95Å; I199-V234 HydrophobicContact CG2-CG2 3.96Å; A200-V234 HydrophobicContact CB-CG1 3.98Å; I203-V234 HydrophobicContact CD1-CG1 3.65Å; V234-T236 HydrophobicContact CG1-CG2 3.76Å; V234-V253 HydrophobicContact CG1-CG2 4.02Å; V234-V253 HydrophobicContact CG2-CG1 4.38Å
235S95.9Very high93.2Very high11 Ų1143.8 Ų43.88%0.07722%0.219CC..EExtended strand (participates in β ladder)trans-83.9125.8176.8-179.10000110.2N186 G221 I222 W224N186-S235 VanDerWaalsContact OD1-CA 3.27Å; N186-S235 WeakPolarHBondContact OD1-CA 3.44Å; N186-S235 VanDerWaalsContact OD1-CB 3.23Å; N186-S235 WeakPolarHBondContact OD1-CB 3.2Å; N186-S235 PolarHBondContact OD1-OG 3.44Å; G221-S235 CarbonylContact C-O 3.47Å; G221-S235 WeakPolarHBondContact CA-O 3.33Å; I222-S235 PolarHBondContact N-O 3.03Å; I222-S235 PolarHBondContact O-N 2.83Å; W224-S235 VanDerWaalsContact CH2-CB 3.49Å; W224-S235 WeakPolarHBondContact CH2-OG 3.33Å; W224-S235 VanDerWaalsContact CZ2-CB 3.43Å; W224-S235 WeakPolarHBondContact CZ2-OG 3.32Å; W224-S235 WeakPolarHBondContact CZ3-OG 3.48Å
236T96.1Very high93.3Very high0 Ų041.9 Ų41.90%021%0.212CC..EExtended strand (participates in β ladder)trans-132.3151.5-176.969.50000112.4Y185 I187 I203 V219 Q220 V234 V249Y185-T236 PolarHBondContact N-O 3.19Å; Y185-T236 WeakPolarHBondContact O-CA 3.17Å; Y185-T236 WeakPolarHBondContact O-CB 3.41Å; Y185-T236 PolarHBondContact O-N 3.14Å; Y185-T236 PolarHBondContact O-OG1 3.09Å; I187-T236 HydrophobicContact CD1-CG2 4.25Å; I203-T236 HydrophobicContact CD1-CG2 3.82Å; V219-T236 HydrophobicContact CG1-CG2 4.44Å; Q220-T236 CarbonylContact O-C 3.54Å; Q220-T236 WeakPolarHBondContact O-CA 3.45Å; Q220-T236 WeakPolarHBondContact O-CB 3.22Å; V234-T236 HydrophobicContact CG1-CG2 3.76Å; T236-V249 HydrophobicContact CG2-CG1 4.2Å
237N93.6Very high93.7Very high56 Ų5642.4 Ų42.430%0.29921%0.214SC..EExtended strand (participates in β ladder)trans-118.8116.1170-74.7-29.2000108L182 V219 Q220 L239L182-N237 HydrophobicContact CD1-CB 4.03Å; L182-N237 HydrophobicContact CD2-CB 3.78Å; L182-N237 WeakPolarHBondContact CD2-OD1 3.38Å; L182-N237 HydrophobicContact CG-CB 4.14Å; V219-N237 WeakPolarHBondContact CA-O 3.13Å; Q220-N237 HydrophobicContact CB-CB 4.35Å; Q220-N237 PolarHBondContact N-O 3.49Å; Q220-N237 PolarHBondContact O-N 3.02Å; N237-L239 PolarHBondContact O-N 3.04Å
238L94.6Very high94.1Very high1 Ų140.4 Ų40.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-85.6104.3170.8-7068.7000107.3L182 I183 Y185 D240 L246 V249L182-L238 WeakPolarHBondContact CA-O 3.35Å; I183-L238 HydrophobicContact CB-CB 4.19Å; I183-L238 PolarHBondContact N-O 3.2Å; I183-L238 VanDerWaalsContact N-O 3.11Å; I183-L238 PolarHBondContact O-N 2.96Å; Y185-L238 HydrophobicContact CD1-CD1 4.37Å; L238-D240 VanDerWaalsContact C-N 3.27Å; L238-L246 HydrophobicContact CD2-CB 4.48Å; L238-L246 HydrophobicContact CD2-CD1 4.23Å; L238-V249 HydrophobicContact CD1-CG2 4.02Å; L238-V249 HydrophobicContact CD2-CG2 3.92Å; L238-V249 HydrophobicContact CG-CG2 3.92Å
239L89.9Confident94.6Very high48 Ų4836.6 Ų36.625%0.25119%0.187SC..SBendtrans-72.4-26.4-179.8-55.1178.1000111.8L182 K218 Q220 N237L182-L239 HydrophobicContact CD1-CD2 3.57Å; L182-L239 HydrophobicContact CG-CD2 4.35Å; K218-L239 HydrophobicContact CB-CB 4.2Å; K218-L239 VanDerWaalsContact O-CB 3.29Å; K218-L239 WeakPolarHBondContact O-CB 3.48Å; K218-L239 WeakPolarHBondContact O-CG 3.38Å; K218-L239 PolarHBondContact O-N 3.29Å; Q220-L239 HydrophobicContact CG-CD1 4.11Å; N237-L239 PolarHBondContact O-N 3.04Å
240D89.7Confident95Very high55 Ų5532.5 Ų32.529%0.29417%0.169SC..  trans-150.5106.7175.9177.45.4000109.4K218 L238 E242 T243 T244K218-D240 HydrophobicContact CB-CB 4.09Å; K218-D240 HydrophobicContact CG-CB 4.22Å; L238-D240 VanDerWaalsContact C-N 3.27Å; D240-E242 VanDerWaalsContact C-N 3.26Å; D240-E242 PolarHBondContact O-N 3.21Å; D240-E242 WeakPolarHBondContact OD1-CB 3.27Å; D240-E242 PolarHBondContact OD1-N 3.22Å; D240-T243 PolarHBondContact O-N 3Å; D240-T243 PolarHBondContact OD1-N 3.49Å; D240-T243 WeakPolarHBondContact OD2-CB 3.34Å; D240-T243 PolarHBondContact OD2-OG1 2.95Å; D240-T244 PolarHBondContact O-N 3.04Å; D240-T244 VanDerWaalsContact O-N 3.11Å
241F91.8Very high95.3Very high25 Ų2529.5 Ų29.511%0.1115%0.151CC..THydrogen-bonded Turntrans-76.2-12.7-178.473-93.3000113.3I183 T244 P245 P274 K276 A277I183-F241 HydrophobicContact CD1-CB 3.6Å; I183-F241 HydrophobicContact CD1-CD1 4.08Å; I183-F241 HydrophobicContact CD1-CG 3.94Å; F241-T244 WeakPolarHBondContact CA-O 3.38Å; F241-T244 CarbonylContact O-C 3.56Å; F241-P245 VanDerWaalsContact O-CA 3.28Å; F241-P245 WeakPolarHBondContact O-CA 3.2Å; F241-P274 HydrophobicContact CD1-CG 4.29Å; F241-P274 HydrophobicContact CE1-CB 4.18Å; F241-P274 HydrophobicContact CE1-CG 3.75Å; F241-P274 HydrophobicContact CZ-CB 4.12Å; F241-P274 HydrophobicContact CZ-CG 4.21Å; F241-K276 HydrophobicContact CE2-CB 4.16Å; F241-K276 HydrophobicContact CE2-CD 4.05Å; F241-K276 HydrophobicContact CE2-CG 4.04Å; F241-K276 HydrophobicContact CZ-CB 4.41Å; F241-K276 HydrophobicContact CZ-CD 4.36Å; F241-A277 HydrophobicContact CB-CB 4.38Å; F241-A277 HydrophobicContact CD2-CB 3.58Å; F241-A277 HydrophobicContact CE2-CB 3.97Å; F241-A277 HydrophobicContact CG-CB 3.93Å
242E90.1Very high95.4Very high119 Ų11930.1 Ų30.156%0.55615%0.153SC*.THydrogen-bonded Turntrans-80.9-36.2174.9-56.1-159.8-179.600110.9D240 K276D240-E242 VanDerWaalsContact C-N 3.26Å; D240-E242 PolarHBondContact O-N 3.21Å; D240-E242 WeakPolarHBondContact OD1-CB 3.27Å; D240-E242 PolarHBondContact OD1-N 3.22Å; E242-K276 IonicContact OE1-NZ 3.08Å; E242-K276 PolarHBondContact OE1-NZ 2.93Å; E242-K276 IonicContact OE2-NZ 4Å; E242-K276 PolarHBondContact OE2-NZ 3.39Å; E242-K276 VanDerWaalsContact OE2-NZ 3.08Å
243T93.5Very high95.5Very high74 Ų7430.1 Ų30.145%0.45415%0.153SC..THydrogen-bonded Turntrans-73.8-42.2173.4-65.80000111.8K217 K218 D240K217-T243 HydrophobicContact CB-CG2 4.14Å; K218-T243 HydrophobicContact CG-CG2 4.2Å; D240-T243 PolarHBondContact O-N 3Å; D240-T243 PolarHBondContact OD1-N 3.49Å; D240-T243 WeakPolarHBondContact OD2-CB 3.34Å; D240-T243 PolarHBondContact OD2-OG1 2.95Å
244T96.5Very high95.5Very high4 Ų431.5 Ų31.53%0.02516%0.163CC..SBendtrans-133100.1176-63.90000109.8L216 K217 V219 D240 F241 V249L216-T244 HydrophobicContact CB-CG2 4.1Å; L216-T244 HydrophobicContact CD1-CG2 4.17Å; L216-T244 HydrophobicContact CD2-CG2 4.21Å; L216-T244 HydrophobicContact CG-CG2 4.39Å; K217-T244 PolarHBondContact O-OG1 2.9Å; V219-T244 HydrophobicContact CG2-CG2 3.73Å; D240-T244 PolarHBondContact O-N 3.04Å; D240-T244 VanDerWaalsContact O-N 3.11Å; F241-T244 WeakPolarHBondContact CA-O 3.38Å; F241-T244 CarbonylContact O-C 3.56Å; T244-V249 HydrophobicContact CG2-CG2 3.83Å
245P96.1Very high95.5Very high27 Ų2739 Ų3918%0.17519%0.192CC..  trans-63.8155.5-178.2-25.736.3000114.3F241 H247 E248 V249F241-P245 VanDerWaalsContact O-CA 3.28Å; F241-P245 WeakPolarHBondContact O-CA 3.2Å; P245-H247 VanDerWaalsContact C-N 3.3Å; P245-H247 WeakPolarHBondContact CB-CE1 3.29Å; P245-H247 PolarHBondContact O-N 2.93Å; P245-E248 WeakPolarHBondContact CD-OE2 3.37Å; P245-E248 WeakPolarHBondContact O-CB 3.37Å; P245-E248 PolarHBondContact O-N 3.33Å; P245-V249 PolarHBondContact O-N 3.29Å
246L96Very high95.6Very high1 Ų139.5 Ų39.51%0.00519%0.193CC..Hα-helixtrans-52.4-45.3-179.8-173.669.5000113.3I183 Y185 L238 E248 V249 Y250 L269 I273 M278 L307I183-L246 HydrophobicContact CG2-CD1 4.25Å; Y185-L246 HydrophobicContact CD1-CD1 3.62Å; Y185-L246 HydrophobicContact CD2-CD1 3.75Å; Y185-L246 HydrophobicContact CE1-CD1 3.85Å; Y185-L246 HydrophobicContact CE1-CG 4.4Å; Y185-L246 HydrophobicContact CE2-CD1 3.98Å; Y185-L246 HydrophobicContact CG-CD1 3.56Å; L238-L246 HydrophobicContact CD2-CB 4.48Å; L238-L246 HydrophobicContact CD2-CD1 4.23Å; L246-E248 VanDerWaalsContact C-N 3.33Å; L246-E248 PolarHBondContact O-N 3.17Å; L246-V249 PolarHBondContact O-N 3.26Å; L246-Y250 PolarHBondContact O-N 3.37Å; L246-L269 HydrophobicContact CD1-CD2 4.21Å; L246-I273 HydrophobicContact CD2-CD1 3.79Å; L246-M278 HydrophobicContact CD2-SD 4.27Å; L246-L307 HydrophobicContact CD2-CD1 3.45Å; L246-L307 VanDerWaalsContact CD2-CD1 3.45Å; L246-L307 HydrophobicContact CG-CD1 3.8Å
247H97.4Very high95.7Very high22 Ų2239.5 Ų39.510%0.10219%0.193CC..Hα-helixtrans-68.1-31.9-178.758.9-92000112.5P245 Y250 E251 A281 F284 Y285P245-H247 VanDerWaalsContact C-N 3.3Å; P245-H247 WeakPolarHBondContact CB-CE1 3.29Å; P245-H247 PolarHBondContact O-N 2.93Å; H247-Y250 PolarHBondContact O-N 3.36Å; H247-E251 WeakPolarHBondContact O-CB 3.44Å; H247-E251 WeakPolarHBondContact O-CG 3.3Å; H247-E251 PolarHBondContact O-N 3.26Å; H247-A281 HydrophobicContact CB-CB 4.09Å; H247-A281 WeakPolarHBondContact ND1-CA 2.8Å; H247-F284 HydrophobicContact CB-CD1 3.84Å; H247-F284 HydrophobicContact CB-CE1 4.23Å; H247-F284 HydrophobicContact CB-CG 4.39Å; H247-F284 AromaticContact CD2-CD1 3.42Å; H247-F284 VanDerWaalsContact CD2-CD1 3.42Å; H247-F284 WeakPolarHBondContact CD2-CD1 3.18Å; H247-F284 AromaticContact CD2-CD2 3.43Å; H247-F284 VanDerWaalsContact CD2-CD2 3.43Å; H247-F284 WeakPolarHBondContact CD2-CD2 3.48Å; H247-F284 AromaticContact CD2-CE1 3.8Å; H247-F284 AromaticContact CD2-CE2 3.81Å; H247-F284 AromaticContact CD2-CG 3.2Å; H247-F284 WeakPolarHBondContact CD2-CG 3.44Å; H247-F284 AromaticContact CD2-CZ 3.97Å; H247-F284 AromaticContact CG-CD1 3.69Å; H247-F284 AromaticContact CG-CG 3.74Å; H247-F284 AromaticContact NE2-CD2 3.47Å; H247-F284 WeakPolarHBondContact NE2-CD2 3.46Å; H247-F284 AromaticContact NE2-CG 3.46Å; H247-F284 WeakPolarHBondContact NE2-CG 3.49Å; H247-Y285 HydrophobicContact CB-CE2 3.95Å
248E97.9Very high95.9Very high79 Ų7945.1 Ų45.137%0.36922%0.215SC..Hα-helixtrans-66-42.4179.1-171.4176-178.300111L216 P245 L246 Y250 E251 E252L216-E248 HydrophobicContact CD2-CG 4.08Å; P245-E248 WeakPolarHBondContact CD-OE2 3.37Å; P245-E248 WeakPolarHBondContact O-CB 3.37Å; P245-E248 PolarHBondContact O-N 3.33Å; L246-E248 VanDerWaalsContact C-N 3.33Å; L246-E248 PolarHBondContact O-N 3.17Å; E248-Y250 PolarHBondContact O-N 3.2Å; E248-E251 PolarHBondContact O-N 2.71Å; E248-E252 WeakPolarHBondContact O-CB 3.22Å; E248-E252 WeakPolarHBondContact O-CG 3.42Å; E248-E252 PolarHBondContact O-N 3.19Å
249V98Very high96Very high0 Ų048.9 Ų48.90%025%0.246CC..Hα-helixtrans-58.8-48.9174.4-175.70000110.9Y185 I187 I203 L216 V219 T236 L238 T244 P245 L246 V253Y185-V249 HydrophobicContact CD1-CB 4.44Å; Y185-V249 HydrophobicContact CD1-CG1 4.25Å; I187-V249 HydrophobicContact CD1-CG1 4.06Å; I203-V249 HydrophobicContact CD1-CG1 4.41Å; L216-V249 HydrophobicContact CD1-CB 4.21Å; L216-V249 HydrophobicContact CD1-CG1 4.36Å; L216-V249 HydrophobicContact CD1-CG2 3.9Å; V219-V249 HydrophobicContact CG2-CG2 4.08Å; T236-V249 HydrophobicContact CG2-CG1 4.2Å; L238-V249 HydrophobicContact CD1-CG2 4.02Å; L238-V249 HydrophobicContact CD2-CG2 3.92Å; L238-V249 HydrophobicContact CG-CG2 3.92Å; T244-V249 HydrophobicContact CG2-CG2 3.83Å; P245-V249 PolarHBondContact O-N 3.29Å; L246-V249 PolarHBondContact O-N 3.26Å; V249-V253 WeakPolarHBondContact O-CG2 3.4Å; V249-V253 PolarHBondContact O-N 2.98Å
250Y98.4Very high96.4Very high23 Ų2349.1 Ų49.19%0.0925%0.247CC..Hα-helixtrans-63.3-45.1-179.5-174.1-102.9000112.5Y185 I187 L246 H247 E248 V253 C254 V264 R306 L307Y185-Y250 HydrophobicContact CE1-CD2 4.45Å; Y185-Y250 WeakPolarHBondContact OH-CD2 3.4Å; I187-Y250 HydrophobicContact CG1-CD2 3.99Å; I187-Y250 HydrophobicContact CG2-CD2 3.95Å; I187-Y250 HydrophobicContact CG2-CE2 3.97Å; L246-Y250 PolarHBondContact O-N 3.37Å; H247-Y250 PolarHBondContact O-N 3.36Å; E248-Y250 PolarHBondContact O-N 3.2Å; Y250-V253 PolarHBondContact O-N 3.11Å; Y250-C254 VanDerWaalsContact CE1-SG 3.56Å; Y250-C254 WeakPolarHBondContact O-CB 3.32Å; Y250-C254 PolarHBondContact O-N 3.08Å; Y250-C254 PolarHBondContact O-SG 3.5Å; Y250-V264 HydrophobicContact CE2-CG1 3.84Å; Y250-R306 WeakPolarHBondContact CE1-O 3.43Å; Y250-L307 HydrophobicContact CD1-CD2 3.52Å; Y250-L307 HydrophobicContact CD2-CD2 4.3Å; Y250-L307 HydrophobicContact CE1-CD2 4.19Å; Y250-L307 WeakPolarHBondContact CE2-O 3.38Å; Y250-L307 HydrophobicContact CG-CD2 3.57Å
251E98.3Very high96.8Very high52 Ų5255.7 Ų55.724%0.24327%0.273CS..Hα-helixtrans-67.8-37.1-178.8-70.4-73163.800112.2H247 E248 C254 R255 F284 Y285 K288H247-E251 WeakPolarHBondContact O-CB 3.44Å; H247-E251 WeakPolarHBondContact O-CG 3.3Å; H247-E251 PolarHBondContact O-N 3.26Å; E248-E251 PolarHBondContact O-N 2.71Å; E251-C254 WeakPolarHBondContact O-CB 3.36Å; E251-C254 PolarHBondContact O-N 3.49Å; E251-R255 WeakPolarHBondContact O-CB 3.2Å; E251-R255 PolarHBondContact O-N 2.88Å; E251-F284 HydrophobicContact CG-CE1 3.99Å; E251-F284 HydrophobicContact CG-CZ 4.15Å; E251-Y285 WeakPolarHBondContact OE1-CE1 3.48Å; E251-Y285 PolarHBondContact OE1-OH 3.16Å; E251-K288 IonicContact OE1-NZ 3.96Å; E251-K288 PolarHBondContact OE1-NZ 3.11Å; E251-K288 IonicContact OE2-NZ 2.75Å; E251-K288 PolarHBondContact OE2-NZ 3.21Å
252E97.9Very high97Very high33 Ų3356 Ų5615%0.15428%0.275CS..Hα-helixtrans-71.7-34.6175.9-79.8-68.1135.400112.6I203 R215 L216 E248 R255 D256I203-E252 HydrophobicContact CG2-CB 4.45Å; R215-E252 IonicContact CZ-OE2 2.95Å; R215-E252 VanDerWaalsContact CZ-OE2 3.27Å; R215-E252 IonicContact NE-OE2 2.89Å; R215-E252 PolarHBondContact NE-OE2 3.49Å; R215-E252 IonicContact NH2-OE2 3.04Å; R215-E252 PolarHBondContact NH2-OE2 3.01Å; L216-E252 HydrophobicContact CD1-CB 4.45Å; L216-E252 HydrophobicContact CD2-CG 4.25Å; E248-E252 WeakPolarHBondContact O-CB 3.22Å; E248-E252 WeakPolarHBondContact O-CG 3.42Å; E248-E252 PolarHBondContact O-N 3.19Å; E252-R255 WeakPolarHBondContact O-CB 3.39Å; E252-R255 PolarHBondContact O-N 3.11Å; E252-R255 WeakPolarHBondContact OE1-CD 3.44Å; E252-R255 IonicContact OE1-NH1 2.7Å; E252-R255 PolarHBondContact OE1-NH1 2.82Å; E252-R255 IonicContact OE2-NH1 2.83Å; E252-D256 PolarHBondContact O-N 3.43Å; E252-D256 VanDerWaalsContact O-N 3.08Å
253V98.1Very high97.4Very high0 Ų053.2 Ų53.20%027%0.268CS..Hα-helixtrans-64.3-46168.2171.90000110.6I187 L189 I199 I203 V234 V249 Y250 R255 D256 A257 V264I187-V253 HydrophobicContact CB-CG1 4.03Å; I187-V253 HydrophobicContact CD1-CG2 4.16Å; I187-V253 HydrophobicContact CG1-CB 4.46Å; I187-V253 HydrophobicContact CG1-CG1 4.46Å; I187-V253 HydrophobicContact CG1-CG2 4.33Å; I187-V253 HydrophobicContact CG2-CB 4.28Å; I187-V253 HydrophobicContact CG2-CG1 3.6Å; L189-V253 HydrophobicContact CD1-CG1 4.45Å; I199-V253 HydrophobicContact CG2-CB 4.46Å; I199-V253 HydrophobicContact CG2-CG1 4.16Å; I199-V253 HydrophobicContact CG2-CG2 4.21Å; I203-V253 HydrophobicContact CD1-CG2 3.5Å; I203-V253 HydrophobicContact CG2-CG2 4.47Å; V234-V253 HydrophobicContact CG1-CG2 4.02Å; V234-V253 HydrophobicContact CG2-CG1 4.38Å; V249-V253 WeakPolarHBondContact O-CG2 3.4Å; V249-V253 PolarHBondContact O-N 2.98Å; Y250-V253 PolarHBondContact O-N 3.11Å; V253-R255 VanDerWaalsContact C-N 3.25Å; V253-R255 PolarHBondContact O-N 3.09Å; V253-D256 PolarHBondContact O-N 3.44Å; V253-A257 VanDerWaalsContact O-CB 3.25Å; V253-A257 WeakPolarHBondContact O-CB 3.43Å; V253-A257 PolarHBondContact O-N 3.39Å; V253-V264 HydrophobicContact CG1-CG2 4.42Å
254C98.2Very high97.6Very high32 Ų3251.3 Ų51.322%0.21626%0.256CS..Hα-helixtrans-56.8-40.5175.3-74.20000111.9Y250 E251 K258Y250-C254 VanDerWaalsContact CE1-SG 3.56Å; Y250-C254 WeakPolarHBondContact O-CB 3.32Å; Y250-C254 PolarHBondContact O-N 3.08Å; Y250-C254 PolarHBondContact O-SG 3.5Å; E251-C254 WeakPolarHBondContact O-CB 3.36Å; E251-C254 PolarHBondContact O-N 3.49Å; C254-K258 VanDerWaalsContact O-CB 3.22Å; C254-K258 WeakPolarHBondContact O-CB 3.47Å; C254-K258 PolarHBondContact O-N 2.99Å
255R98.1Very high97.6Very high158 Ų15853.6 Ų53.660%0.59627%0.27SS*.Hα-helixtrans-63.2-49.5177.4-177.9-175.7179.4177.10.6112.1E251 E252 V253 K258 A259E251-R255 WeakPolarHBondContact O-CB 3.2Å; E251-R255 PolarHBondContact O-N 2.88Å; E252-R255 WeakPolarHBondContact O-CB 3.39Å; E252-R255 PolarHBondContact O-N 3.11Å; E252-R255 WeakPolarHBondContact OE1-CD 3.44Å; E252-R255 IonicContact OE1-NH1 2.7Å; E252-R255 PolarHBondContact OE1-NH1 2.82Å; E252-R255 IonicContact OE2-NH1 2.83Å; V253-R255 VanDerWaalsContact C-N 3.25Å; V253-R255 PolarHBondContact O-N 3.09Å; R255-K258 PolarHBondContact O-N 3.09Å; R255-A259 PolarHBondContact O-N 2.82Å
256D97.6Very high97.7Very high20 Ų2052.6 Ų52.611%0.10727%0.265CS..Hα-helixtrans-66.4-42.4178.7-86.87.2000111.8I199 N202 R215 E252 V253 K258 A259 L260I199-D256 HydrophobicContact CG1-CB 4.13Å; I199-D256 HydrophobicContact CG2-CB 3.92Å; N202-D256 VanDerWaalsContact CB-OD2 3.24Å; N202-D256 WeakPolarHBondContact CB-OD2 3.41Å; N202-D256 PolarHBondContact ND2-OD2 2.9Å; R215-D256 IonicContact CZ-OD1 3.92Å; R215-D256 IonicContact CZ-OD2 3.39Å; R215-D256 IonicContact NH1-OD1 3.1Å; R215-D256 PolarHBondContact NH1-OD1 2.86Å; R215-D256 VanDerWaalsContact NH1-OD1 3.1Å; R215-D256 IonicContact NH1-OD2 3.08Å; R215-D256 PolarHBondContact NH1-OD2 3.05Å; R215-D256 VanDerWaalsContact NH1-OD2 3.08Å; R215-D256 IonicContact NH2-OD1 3.08Å; R215-D256 PolarHBondContact NH2-OD1 3.4Å; R215-D256 IonicContact NH2-OD2 2.85Å; R215-D256 PolarHBondContact NH2-OD2 3.49Å; E252-D256 PolarHBondContact O-N 3.43Å; E252-D256 VanDerWaalsContact O-N 3.08Å; V253-D256 PolarHBondContact O-N 3.44Å; D256-K258 VanDerWaalsContact C-N 3.33Å; D256-K258 PolarHBondContact O-N 3.36Å; D256-A259 WeakPolarHBondContact O-CB 3.43Å; D256-A259 PolarHBondContact O-N 2.88Å; D256-L260 WeakPolarHBondContact O-CG 3.5Å; D256-L260 PolarHBondContact O-N 3.11Å
257A97.7Very high97.8Very high0 Ų052.6 Ų52.60%027%0.265CS..Hα-helixtrans-59.5-44.7175.700000111.1L189 I199 V253 A259 L260 K261 L262 V264L189-A257 HydrophobicContact CD2-CB 3.81Å; I199-A257 HydrophobicContact CD1-CB 4.2Å; V253-A257 VanDerWaalsContact O-CB 3.25Å; V253-A257 WeakPolarHBondContact O-CB 3.43Å; V253-A257 PolarHBondContact O-N 3.39Å; A257-A259 VanDerWaalsContact C-N 3.35Å; A257-A259 PolarHBondContact O-N 3.01Å; A257-L260 CarbonylContact O-C 3.56Å; A257-L260 WeakPolarHBondContact O-CA 3.45Å; A257-L260 PolarHBondContact O-N 3.19Å; A257-L260 VanDerWaalsContact O-N 3.09Å; A257-K261 PolarHBondContact O-N 3.33Å; A257-L262 CarbonylContact C-O 3.55Å; A257-L262 HydrophobicContact CB-CB 4.27Å; A257-L262 PolarHBondContact O-N 3.49Å; A257-V264 HydrophobicContact CB-CG2 3.53Å
258K97.9Very high97.6Very high175 Ų17552.4 Ų52.476%0.76126%0.264SS*.Hα-helixtrans-61.7-40.3176.1-173.5175.4-177.5176.90112.4C254 R255 D256 L260 K261C254-K258 VanDerWaalsContact O-CB 3.22Å; C254-K258 WeakPolarHBondContact O-CB 3.47Å; C254-K258 PolarHBondContact O-N 2.99Å; R255-K258 PolarHBondContact O-N 3.09Å; D256-K258 VanDerWaalsContact C-N 3.33Å; D256-K258 PolarHBondContact O-N 3.36Å; K258-L260 PolarHBondContact O-N 2.76Å; K258-K261 PolarHBondContact O-N 3.46Å; K258-K261 VanDerWaalsContact O-N 3.11Å
259A97.4Very high97.3Very high79 Ų7948.9 Ų48.965%0.65325%0.248SC*.Hα-helixtrans-63-32.6175.400000112.3R255 D256 A257R255-A259 PolarHBondContact O-N 2.82Å; D256-A259 WeakPolarHBondContact O-CB 3.43Å; D256-A259 PolarHBondContact O-N 2.88Å; A257-A259 VanDerWaalsContact C-N 3.35Å; A257-A259 PolarHBondContact O-N 3.01Å
260L97Very high96.8Very high53 Ų5349.8 Ų49.828%0.27725%0.253SS..THydrogen-bonded Turntrans-89.71.2175.7-62.3176.8000113.9I199 D256 A257 K258 L262I199-L260 HydrophobicContact CD1-CD1 4.27Å; I199-L260 HydrophobicContact CG1-CD1 4.05Å; D256-L260 WeakPolarHBondContact O-CG 3.5Å; D256-L260 PolarHBondContact O-N 3.11Å; A257-L260 CarbonylContact O-C 3.56Å; A257-L260 WeakPolarHBondContact O-CA 3.45Å; A257-L260 PolarHBondContact O-N 3.19Å; A257-L260 VanDerWaalsContact O-N 3.09Å; K258-L260 PolarHBondContact O-N 2.76Å; L260-L262 VanDerWaalsContact C-N 3.29Å; L260-L262 HydrophobicContact CB-CD1 3.81Å; L260-L262 HydrophobicContact CB-CG 3.83Å; L260-L262 HydrophobicContact CD1-CD1 4.15Å; L260-L262 PolarHBondContact O-N 3.41Å
261K97.9Very high96.1Very high194 Ų19448.9 Ų48.984%0.84325%0.251SS*.THydrogen-bonded Turntrans58.536.9-175.7-53175.4-178.3177.20113.5A257 K258A257-K261 PolarHBondContact O-N 3.33Å; K258-K261 PolarHBondContact O-N 3.46Å; K258-K261 VanDerWaalsContact O-N 3.11Å
262L97.3Very high95.6Very high30 Ų3046.6 Ų46.616%0.15724%0.24CC..PPolyproline II helixtrans-103.8136177.9-54.5175.6000109.7C191 L195 I199 A257 L260C191-L262 HydrophobicContact CB-CB 4.45Å; C191-L262 HydrophobicContact CB-CD1 3.83Å; C191-L262 HydrophobicContact CB-CD2 3.84Å; C191-L262 HydrophobicContact CB-CG 4.24Å; L195-L262 HydrophobicContact CB-CD1 3.92Å; L195-L262 HydrophobicContact CD1-CD1 4.07Å; L195-L262 HydrophobicContact CD1-CD2 4.08Å; L195-L262 HydrophobicContact CG-CD1 4.45Å; I199-L262 HydrophobicContact CD1-CD1 4.3Å; A257-L262 CarbonylContact C-O 3.55Å; A257-L262 HydrophobicContact CB-CB 4.27Å; A257-L262 PolarHBondContact O-N 3.49Å; L260-L262 VanDerWaalsContact C-N 3.29Å; L260-L262 HydrophobicContact CB-CD1 3.81Å; L260-L262 HydrophobicContact CB-CG 3.83Å; L260-L262 HydrophobicContact CD1-CD1 4.15Å; L260-L262 PolarHBondContact O-N 3.41Å
263P97.2Very high95.3Very high61 Ų6145 Ų4540%0.39623%0.233SC..PPolyproline II helixtrans-80.3132.3176.233.8-35000110.7L189 L190L189-P263 WeakPolarHBondContact CA-O 3.41Å; L190-P263 HydrophobicContact CB-CG 3.63Å; L190-P263 HydrophobicContact CD1-CG 3.93Å; L190-P263 HydrophobicContact CG-CG 3.95Å; L190-P263 PolarHBondContact N-O 3.02Å; L190-P263 VanDerWaalsContact N-O 3.12Å
264V98.3Very high94.9Very high35 Ų3545.6 Ų45.621%0.21224%0.236CC..EExtended strand (participates in β ladder)trans-90.4132.6164.81780000107.9I187 N188 L189 Y250 V253 A257I187-V264 HydrophobicContact CG2-CG1 3.59Å; N188-V264 CarbonylContact O-C 3.49Å; N188-V264 WeakPolarHBondContact O-CA 3.28Å; L189-V264 HydrophobicContact CD2-CG2 4.21Å; L189-V264 HydrophobicContact CG-CG2 4.31Å; Y250-V264 HydrophobicContact CE2-CG1 3.84Å; V253-V264 HydrophobicContact CG1-CG2 4.42Å; A257-V264 HydrophobicContact CB-CG2 3.53Å
265V97.6Very high94.6Very high51 Ų5146 Ų4631%0.30923%0.234SC..EExtended strand (participates in β ladder)trans-125.748.3-171.6-67.40000111.5N188 L190 I231N188-V265 HydrophobicContact CB-CG2 3.72Å; N188-V265 PolarHBondContact O-N 2.91Å; L190-V265 HydrophobicContact CD1-CG1 3.89Å; L190-V265 HydrophobicContact CD2-CG1 4.32Å; L190-V265 HydrophobicContact CD2-CG2 3.88Å; L190-V265 HydrophobicContact CG-CG1 3.79Å; L190-V265 HydrophobicContact CG-CG2 4.05Å; I231-V265 HydrophobicContact CD1-CG2 3.67Å; I231-V265 HydrophobicContact CG1-CG2 4.37Å
266G97.1Very high94.3Very high7 Ų742.4 Ų42.47%0.07222%0.223CC..EExtended strand (participates in β ladder)trans86.6-160.718000000113.1N188 L307N188-G266 WeakPolarHBondContact CB-O 3.31Å; N188-G266 PolarHBondContact N-O 3.45Å; G266-L307 CarbonylContact C-O 3.57Å; G266-L307 WeakPolarHBondContact CA-O 3.38Å
267S97.4Very high94.2Very high0 Ų041.6 Ų41.60%022%0.219CC..EExtended strand (participates in β ladder)trans-155.4175.5-174.758.30000111.6Y185 N186 L307 G308 L309 S311Y185-S267 VanDerWaalsContact CE2-CB 3.41Å; Y185-S267 WeakPolarHBondContact CE2-OG 3.25Å; Y185-S267 VanDerWaalsContact OH-CB 3.3Å; Y185-S267 WeakPolarHBondContact OH-CB 3.22Å; Y185-S267 PolarHBondContact OH-OG 3.27Å; N186-S267 CarbonylContact O-C 3.59Å; N186-S267 WeakPolarHBondContact O-CA 3.4Å; N186-S267 WeakPolarHBondContact O-CB 3.34Å; S267-L307 WeakPolarHBondContact CB-O 3.16Å; S267-L307 PolarHBondContact N-O 3.24Å; S267-L307 VanDerWaalsContact N-O 3.14Å; S267-L307 PolarHBondContact OG-O 3.06Å; S267-G308 PolarHBondContact N-O 2.86Å; S267-L309 CarbonylContact O-C 3.45Å; S267-L309 WeakPolarHBondContact O-CA 3.44Å; S267-L309 WeakPolarHBondContact OG-CD2 3.45Å; S267-S311 PolarHBondContact N-OG 2.72Å; S267-S311 PolarHBondContact O-OG 2.97Å
268Q94Very high94.1Very high19 Ų1941.6 Ų41.69%0.08922%0.219CC..EExtended strand (participates in β ladder)trans-139.2133.2177.5-177.7-169.514.200108.5N186 L312N186-Q268 PolarHBondContact N-O 3.47Å; N186-Q268 PolarHBondContact O-N 2.86Å; Q268-L312 HydrophobicContact CB-CD1 4.19Å
269L92.3Very high94Very high4 Ų435.4 Ų35.42%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-89.1140.9163.5-75.2163.7000108.8I183 Y185 L246 I273 L309 F315 R320I183-L269 HydrophobicContact CG2-CD2 3.32Å; Y185-L269 HydrophobicContact CD2-CD2 3.74Å; Y185-L269 HydrophobicContact CD2-CG 4.11Å; Y185-L269 HydrophobicContact CG-CD2 4.4Å; L246-L269 HydrophobicContact CD1-CD2 4.21Å; L269-I273 HydrophobicContact CD1-CB 4.29Å; L269-I273 HydrophobicContact CD1-CD1 3.67Å; L269-I273 HydrophobicContact CD1-CG2 4.2Å; L269-I273 HydrophobicContact CD2-CD1 4.04Å; L269-L309 HydrophobicContact CD1-CD1 3.79Å; L269-L309 HydrophobicContact CD1-CD2 3.82Å; L269-L309 HydrophobicContact CD1-CG 4.4Å; L269-L309 HydrophobicContact CG-CD2 3.86Å; L269-F315 HydrophobicContact CD1-CD2 4.47Å; L269-F315 HydrophobicContact CD1-CE2 3.7Å; L269-F315 HydrophobicContact CD1-CZ 4.28Å; L269-R320 PolarHBondContact O-NH2 2.97Å
270V86.8Confident94Very high19 Ų1934.6 Ų34.612%0.11518%0.179CC..EExtended strand (participates in β ladder)trans-111123.7173.7-179.10000108.1D39 V48 A184 N186D39-V270 HydrophobicContact CB-CG1 4.18Å; D39-V270 VanDerWaalsContact OD2-CG1 3.31Å; D39-V270 WeakPolarHBondContact OD2-CG1 3.44Å; D39-V270 VanDerWaalsContact OD2-CG2 3.26Å; D39-V270 WeakPolarHBondContact OD2-CG2 3.45Å; V48-V270 HydrophobicContact CB-CG1 4.25Å; V48-V270 HydrophobicContact CG1-CG1 4.26Å; V48-V270 HydrophobicContact CG2-CG1 4.28Å; A184-V270 HydrophobicContact CB-CB 3.85Å; A184-V270 PolarHBondContact O-N 3.41Å; N186-V270 WeakPolarHBondContact ND2-CG2 3.33Å
271G84.8Confident94Very high4 Ų432.1 Ų32.14%0.04117%0.166CC..SBendtrans74.7-148.3-174.300000113.5D37 R320D37-G271 PolarHBondContact OD2-N 3.34Å; G271-R320 PolarHBondContact O-NE 3.18Å; G271-R320 PolarHBondContact O-NH2 2.8Å
272L86.5Confident94Very high4 Ų422.9 Ų22.92%0.02113%0.126CC..  trans-89.7164.3-173.4-56.9-178.2000113.7E6 L36 T50 V52 F181 E319 R320 I322 L325E6-L272 HydrophobicContact CG-CD1 4.4Å; E6-L272 WeakPolarHBondContact OE1-CD1 3.2Å; E6-L272 WeakPolarHBondContact OE1-CG 3.31Å; L36-L272 HydrophobicContact CB-CD2 4.46Å; L36-L272 HydrophobicContact CD1-CD1 3.67Å; L36-L272 HydrophobicContact CD1-CD2 3.87Å; L36-L272 HydrophobicContact CD1-CG 4.2Å; T50-L272 HydrophobicContact CG2-CD1 4.34Å; T50-L272 HydrophobicContact CG2-CD2 4.5Å; T50-L272 HydrophobicContact CG2-CG 3.88Å; V52-L272 HydrophobicContact CG1-CD1 4.26Å; F181-L272 HydrophobicContact CE2-CB 4.36Å; F181-L272 HydrophobicContact CZ-CB 3.97Å; F181-L272 WeakPolarHBondContact CZ-O 3.25Å; L272-E319 WeakPolarHBondContact CD2-O 3.23Å; L272-R320 CarbonylContact C-O 3.48Å; L272-R320 WeakPolarHBondContact CA-O 3.4Å; L272-I322 HydrophobicContact CB-CD1 4.49Å; L272-I322 HydrophobicContact CB-CG1 3.85Å; L272-I322 HydrophobicContact CD1-CG1 4.12Å; L272-L325 HydrophobicContact CD1-CD1 4.1Å; L272-L325 HydrophobicContact CD2-CD1 3.72Å
273I91.8Very high94Very high1 Ų125.8 Ų25.81%0.00514%0.139CC..BIsolated β-bridgetrans-137.4138.4173.5-174.3161.6000111.3I183 L246 L269 A277 M278 F315 R320 V321 I322I183-I273 HydrophobicContact CD1-CD1 4.21Å; I183-I273 HydrophobicContact CD1-CG1 4.08Å; I183-I273 HydrophobicContact CG2-CD1 4.29Å; L246-I273 HydrophobicContact CD2-CD1 3.79Å; L269-I273 HydrophobicContact CD1-CB 4.29Å; L269-I273 HydrophobicContact CD1-CD1 3.67Å; L269-I273 HydrophobicContact CD1-CG2 4.2Å; L269-I273 HydrophobicContact CD2-CD1 4.04Å; I273-A277 HydrophobicContact CD1-CB 4.16Å; I273-A277 HydrophobicContact CG1-CB 4.04Å; I273-M278 HydrophobicContact CD1-CG 3.79Å; I273-M278 HydrophobicContact CD1-SD 3.64Å; I273-M278 HydrophobicContact CG1-CG 4.11Å; I273-M278 HydrophobicContact CG2-CG 4.08Å; I273-M278 HydrophobicContact CG2-SD 4.49Å; I273-F315 HydrophobicContact CG2-CZ 4.18Å; I273-R320 PolarHBondContact N-O 3.41Å; I273-V321 HydrophobicContact CG2-CG2 4.21Å; I273-V321 WeakPolarHBondContact O-CA 3.29Å; I273-I322 PolarHBondContact O-N 2.86Å; I273-I322 VanDerWaalsContact O-N 3.11Å
274P90.3Very high94Very high11 Ų1126 Ų267%0.07113%0.133CC..  trans-68.2139.2171.9-18.234000110.3F181 F241 K276 A277 I322F181-P274 HydrophobicContact CD1-CG 3.58Å; F181-P274 VanDerWaalsContact CE1-CD 3.44Å; F181-P274 HydrophobicContact CE1-CG 3.78Å; F181-P274 HydrophobicContact CG-CG 4.15Å; F181-P274 HydrophobicContact CZ-CG 4.46Å; F241-P274 HydrophobicContact CD1-CG 4.29Å; F241-P274 HydrophobicContact CE1-CB 4.18Å; F241-P274 HydrophobicContact CE1-CG 3.75Å; F241-P274 HydrophobicContact CZ-CB 4.12Å; F241-P274 HydrophobicContact CZ-CG 4.21Å; P274-K276 PolarHBondContact O-N 3.22Å; P274-A277 WeakPolarHBondContact O-CB 3.36Å; P274-A277 PolarHBondContact O-N 3.25Å; P274-A277 VanDerWaalsContact O-N 3.07Å; P274-I322 HydrophobicContact CB-CD1 4.25Å; P274-I322 HydrophobicContact CG-CD1 3.9Å
275K92.4Very high94Very high40 Ų4024.4 Ų24.417%0.17412%0.124CC..Hα-helixtrans-55.9-40.2178.7-171.1173.371.1156.40111.3A277 M278 L279 E296 V321 E323 Y324K275-A277 VanDerWaalsContact C-N 3.32Å; K275-A277 PolarHBondContact O-N 3.47Å; K275-M278 WeakPolarHBondContact O-CB 3.46Å; K275-M278 PolarHBondContact O-N 3.23Å; K275-M278 VanDerWaalsContact O-N 3.1Å; K275-L279 HydrophobicContact CD-CD1 4.27Å; K275-L279 HydrophobicContact CG-CD1 3.89Å; K275-L279 HydrophobicContact CG-CG 4.08Å; K275-L279 WeakPolarHBondContact O-CG 3.38Å; K275-L279 PolarHBondContact O-N 3.2Å; K275-E296 IonicContact NZ-OE1 2.63Å; K275-E296 PolarHBondContact NZ-OE1 3.06Å; K275-E296 IonicContact NZ-OE2 3.15Å; K275-E296 PolarHBondContact NZ-OE2 3.41Å; K275-V321 HydrophobicContact CB-CG1 3.59Å; K275-V321 HydrophobicContact CG-CG1 4.07Å; K275-E323 HydrophobicContact CB-CB 4.21Å; K275-E323 HydrophobicContact CB-CG 4.14Å; K275-E323 WeakPolarHBondContact CB-OE1 3.21Å; K275-E323 WeakPolarHBondContact CB-OE2 3.37Å; K275-E323 VanDerWaalsContact N-CD 3.32Å; K275-E323 PolarHBondContact N-OE1 3.06Å; K275-E323 PolarHBondContact N-OE2 3.39Å; K275-Y324 HydrophobicContact CD-CD1 4.42Å; K275-Y324 HydrophobicContact CD-CE1 3.65Å
276K91.4Very high94Very high84 Ų8422.7 Ų22.737%0.36511%0.112SC..Hα-helixtrans-53.4-46.5176.7-176.8179.6169.8-172.90112.2F241 E242 P274 M278 L279 D280F241-K276 HydrophobicContact CE2-CB 4.16Å; F241-K276 HydrophobicContact CE2-CD 4.05Å; F241-K276 HydrophobicContact CE2-CG 4.04Å; F241-K276 HydrophobicContact CZ-CB 4.41Å; F241-K276 HydrophobicContact CZ-CD 4.36Å; E242-K276 IonicContact OE1-NZ 3.08Å; E242-K276 PolarHBondContact OE1-NZ 2.93Å; E242-K276 IonicContact OE2-NZ 4Å; E242-K276 PolarHBondContact OE2-NZ 3.39Å; E242-K276 VanDerWaalsContact OE2-NZ 3.08Å; P274-K276 PolarHBondContact O-N 3.22Å; K276-M278 VanDerWaalsContact C-N 3.26Å; K276-M278 PolarHBondContact O-N 3.47Å; K276-L279 PolarHBondContact O-N 2.86Å; K276-L279 VanDerWaalsContact O-N 3.12Å; K276-D280 WeakPolarHBondContact CG-OD2 3.39Å; K276-D280 WeakPolarHBondContact O-CB 3.4Å; K276-D280 VanDerWaalsContact O-CG 3.24Å; K276-D280 PolarHBondContact O-N 2.98Å
277A94.4Very high94Very high3 Ų326.9 Ų26.93%0.02514%0.137CC..Hα-helixtrans-59.9-37.1179.700000112.5I183 F241 I273 P274 K275 A281I183-A277 HydrophobicContact CD1-CB 3.66Å; F241-A277 HydrophobicContact CB-CB 4.38Å; F241-A277 HydrophobicContact CD2-CB 3.58Å; F241-A277 HydrophobicContact CE2-CB 3.97Å; F241-A277 HydrophobicContact CG-CB 3.93Å; I273-A277 HydrophobicContact CD1-CB 4.16Å; I273-A277 HydrophobicContact CG1-CB 4.04Å; P274-A277 WeakPolarHBondContact O-CB 3.36Å; P274-A277 PolarHBondContact O-N 3.25Å; P274-A277 VanDerWaalsContact O-N 3.07Å; K275-A277 VanDerWaalsContact C-N 3.32Å; K275-A277 PolarHBondContact O-N 3.47Å; A277-A281 WeakPolarHBondContact O-CB 3.31Å; A277-A281 PolarHBondContact O-N 3.24Å
278M96.7Very high94Very high0 Ų031.8 Ų31.80%016%0.158CC..Hα-helixtrans-71.3-43.6174.6-67.6-68.7-74.600111.9L246 I273 K275 K276 A281 A282 I300 V303 V304 L309 F315L246-M278 HydrophobicContact CD2-SD 4.27Å; I273-M278 HydrophobicContact CD1-CG 3.79Å; I273-M278 HydrophobicContact CD1-SD 3.64Å; I273-M278 HydrophobicContact CG1-CG 4.11Å; I273-M278 HydrophobicContact CG2-CG 4.08Å; I273-M278 HydrophobicContact CG2-SD 4.49Å; K275-M278 WeakPolarHBondContact O-CB 3.46Å; K275-M278 PolarHBondContact O-N 3.23Å; K275-M278 VanDerWaalsContact O-N 3.1Å; K276-M278 VanDerWaalsContact C-N 3.26Å; K276-M278 PolarHBondContact O-N 3.47Å; M278-A281 PolarHBondContact O-N 3.17Å; M278-A282 PolarHBondContact O-N 3.46Å; M278-I300 HydrophobicContact CB-CD1 3.46Å; M278-I300 VanDerWaalsContact CB-CD1 3.46Å; M278-I300 HydrophobicContact CE-CD1 4.33Å; M278-I300 HydrophobicContact CE-CG2 3.95Å; M278-I300 HydrophobicContact CG-CD1 4.22Å; M278-V303 HydrophobicContact CE-CB 4.02Å; M278-V303 HydrophobicContact CE-CG1 3.68Å; M278-V303 WeakPolarHBondContact O-CG2 3.15Å; M278-V303 HydrophobicContact SD-CG1 3.83Å; M278-V304 HydrophobicContact CE-CG2 4.14Å; M278-L309 HydrophobicContact CE-CD1 3.73Å; M278-L309 HydrophobicContact SD-CD1 3.98Å; M278-F315 HydrophobicContact CE-CE1 4.07Å; M278-F315 HydrophobicContact CE-CZ 4.21Å
279L96Very high94.2Very high44 Ų4434 Ų3423%0.2317%0.169CC..Hα-helixtrans-67.9-38.3-179.3-64.6179.7000112.5K275 K276 A281 A282 E283 E296 K299 I300K275-L279 HydrophobicContact CD-CD1 4.27Å; K275-L279 HydrophobicContact CG-CD1 3.89Å; K275-L279 HydrophobicContact CG-CG 4.08Å; K275-L279 WeakPolarHBondContact O-CG 3.38Å; K275-L279 PolarHBondContact O-N 3.2Å; K276-L279 PolarHBondContact O-N 2.86Å; K276-L279 VanDerWaalsContact O-N 3.12Å; L279-A281 VanDerWaalsContact C-N 3.31Å; L279-A281 PolarHBondContact O-N 3.3Å; L279-A282 WeakPolarHBondContact O-CB 3.4Å; L279-A282 PolarHBondContact O-N 3.33Å; L279-A282 VanDerWaalsContact O-N 3.14Å; L279-E283 PolarHBondContact O-N 3.42Å; L279-E296 HydrophobicContact CD2-CG 3.79Å; L279-K299 HydrophobicContact CD2-CB 4.29Å; L279-K299 HydrophobicContact CD2-CD 4.39Å; L279-I300 HydrophobicContact CD2-CD1 4.14Å
280D95.9Very high94.3Very high63 Ų6342.2 Ų42.234%0.33720%0.204SC..Hα-helixtrans-63.5-40174.9-67.6-15.5000110.6K276 E283 F284K276-D280 WeakPolarHBondContact CG-OD2 3.39Å; K276-D280 WeakPolarHBondContact O-CB 3.4Å; K276-D280 VanDerWaalsContact O-CG 3.24Å; K276-D280 PolarHBondContact O-N 2.98Å; D280-E283 PolarHBondContact O-N 2.89Å; D280-F284 PolarHBondContact O-N 2.81Å; D280-F284 VanDerWaalsContact O-N 3.11Å
281A97.8Very high94.8Very high0 Ų044.1 Ų44.10%021%0.213CC..Hα-helixtrans-64.9-38.2171.600000112.9H247 A277 M278 L279 F284 Y285 V303H247-A281 HydrophobicContact CB-CB 4.09Å; H247-A281 WeakPolarHBondContact ND1-CA 2.8Å; A277-A281 WeakPolarHBondContact O-CB 3.31Å; A277-A281 PolarHBondContact O-N 3.24Å; M278-A281 PolarHBondContact O-N 3.17Å; L279-A281 VanDerWaalsContact C-N 3.31Å; L279-A281 PolarHBondContact O-N 3.3Å; A281-F284 PolarHBondContact O-N 3.06Å; A281-Y285 WeakPolarHBondContact O-CD2 3.45Å; A281-Y285 PolarHBondContact O-N 3.19Å; A281-V303 HydrophobicContact CB-CG1 3.98Å; A281-V303 HydrophobicContact CB-CG2 4Å
282A98.1Very high95.4Very high0 Ų045.8 Ų45.80%022%0.22CC..Hα-helixtrans-63.5-45.5176.800000111.1M278 L279 F284 Y285 I286 K299 V303M278-A282 PolarHBondContact O-N 3.46Å; L279-A282 WeakPolarHBondContact O-CB 3.4Å; L279-A282 PolarHBondContact O-N 3.33Å; L279-A282 VanDerWaalsContact O-N 3.14Å; A282-F284 VanDerWaalsContact C-N 3.32Å; A282-F284 PolarHBondContact O-N 3.43Å; A282-Y285 PolarHBondContact O-N 3.39Å; A282-I286 WeakPolarHBondContact O-CB 3.44Å; A282-I286 WeakPolarHBondContact O-CD1 3.44Å; A282-I286 WeakPolarHBondContact O-CG1 3.33Å; A282-I286 PolarHBondContact O-N 3.34Å; A282-K299 HydrophobicContact CB-CB 3.65Å; A282-K299 HydrophobicContact CB-CD 4.48Å; A282-K299 HydrophobicContact CB-CG 4.26Å; A282-V303 HydrophobicContact CB-CG2 3.52Å
283E97Very high95.8Very high92 Ų9247.5 Ų47.543%0.4323%0.228SC..Hα-helixtrans-63.1-39.3-179.9-167.256.1-13600112L279 D280 I286 T287 K299L279-E283 PolarHBondContact O-N 3.42Å; D280-E283 PolarHBondContact O-N 2.89Å; E283-I286 PolarHBondContact O-N 3.19Å; E283-T287 WeakPolarHBondContact O-CB 3.48Å; E283-T287 PolarHBondContact O-N 3.41Å; E283-T287 PolarHBondContact O-OG1 3Å; E283-T287 VanDerWaalsContact O-OG1 3.06Å; E283-K299 IonicContact OE2-NZ 3.93Å
284F98.2Very high95.9Very high64 Ų6448.7 Ų48.728%0.28124%0.235SC..Hα-helixtrans-56.1-52.1172.1169.8-98.6000111.9H247 E251 D280 A281 A282 T287 K288H247-F284 HydrophobicContact CB-CD1 3.84Å; H247-F284 HydrophobicContact CB-CE1 4.23Å; H247-F284 HydrophobicContact CB-CG 4.39Å; H247-F284 AromaticContact CD2-CD1 3.42Å; H247-F284 VanDerWaalsContact CD2-CD1 3.42Å; H247-F284 WeakPolarHBondContact CD2-CD1 3.18Å; H247-F284 AromaticContact CD2-CD2 3.43Å; H247-F284 VanDerWaalsContact CD2-CD2 3.43Å; H247-F284 WeakPolarHBondContact CD2-CD2 3.48Å; H247-F284 AromaticContact CD2-CE1 3.8Å; H247-F284 AromaticContact CD2-CE2 3.81Å; H247-F284 AromaticContact CD2-CG 3.2Å; H247-F284 WeakPolarHBondContact CD2-CG 3.44Å; H247-F284 AromaticContact CD2-CZ 3.97Å; H247-F284 AromaticContact CG-CD1 3.69Å; H247-F284 AromaticContact CG-CG 3.74Å; H247-F284 AromaticContact NE2-CD2 3.47Å; H247-F284 WeakPolarHBondContact NE2-CD2 3.46Å; H247-F284 AromaticContact NE2-CG 3.46Å; H247-F284 WeakPolarHBondContact NE2-CG 3.49Å; E251-F284 HydrophobicContact CG-CE1 3.99Å; E251-F284 HydrophobicContact CG-CZ 4.15Å; D280-F284 PolarHBondContact O-N 2.81Å; D280-F284 VanDerWaalsContact O-N 3.11Å; A281-F284 PolarHBondContact O-N 3.06Å; A282-F284 VanDerWaalsContact C-N 3.32Å; A282-F284 PolarHBondContact O-N 3.43Å; F284-T287 PolarHBondContact O-N 2.91Å; F284-K288 HydrophobicContact CE1-CD 3.74Å; F284-K288 HydrophobicContact CE2-CD 4.46Å; F284-K288 HydrophobicContact CZ-CD 3.67Å; F284-K288 WeakPolarHBondContact O-CB 3.11Å; F284-K288 PolarHBondContact O-N 2.92Å
285Y98.3Very high96Very high3 Ų352.7 Ų52.71%0.01225%0.252CS..Hα-helixtrans-68.9-37.8-179.1-76.9-66.6000112.5H247 E251 A281 A282 T287 K288 E289 R306 L307H247-Y285 HydrophobicContact CB-CE2 3.95Å; E251-Y285 WeakPolarHBondContact OE1-CE1 3.48Å; E251-Y285 PolarHBondContact OE1-OH 3.16Å; A281-Y285 WeakPolarHBondContact O-CD2 3.45Å; A281-Y285 PolarHBondContact O-N 3.19Å; A282-Y285 PolarHBondContact O-N 3.39Å; Y285-T287 VanDerWaalsContact C-N 3.32Å; Y285-T287 PolarHBondContact O-N 3.43Å; Y285-K288 PolarHBondContact O-N 3.44Å; Y285-E289 WeakPolarHBondContact CD1-OE1 3.34Å; Y285-E289 VanDerWaalsContact O-CB 3.26Å; Y285-E289 WeakPolarHBondContact O-CB 3.29Å; Y285-E289 WeakPolarHBondContact O-CG 3.24Å; Y285-E289 PolarHBondContact O-N 3.18Å; Y285-R306 HydrophobicContact CD1-CB 4.15Å; Y285-R306 HydrophobicContact CD1-CG 3.88Å; Y285-R306 HydrophobicContact CD2-CB 3.87Å; Y285-R306 HydrophobicContact CD2-CG 4.1Å; Y285-R306 HydrophobicContact CE1-CB 4.03Å; Y285-R306 HydrophobicContact CE1-CG 4.21Å; Y285-R306 HydrophobicContact CE2-CB 3.74Å; Y285-R306 HydrophobicContact CE2-CG 4.42Å; Y285-R306 HydrophobicContact CG-CB 4.1Å; Y285-R306 HydrophobicContact CG-CG 3.86Å; Y285-L307 HydrophobicContact CE2-CD2 3.81Å; Y285-L307 HydrophobicContact CE2-CG 4.31Å; Y285-L307 WeakPolarHBondContact OH-CD2 3.27Å
286I97.5Very high96.1Very high14 Ų1453.9 Ų53.97%0.07226%0.259CS..Hα-helixtrans-58.3-46.7174.4-72.1164.5000110.4A282 E283 K290 L291 I293 K299 L302A282-I286 WeakPolarHBondContact O-CB 3.44Å; A282-I286 WeakPolarHBondContact O-CD1 3.44Å; A282-I286 WeakPolarHBondContact O-CG1 3.33Å; A282-I286 PolarHBondContact O-N 3.34Å; E283-I286 PolarHBondContact O-N 3.19Å; I286-K290 CarbonylContact O-C 3.54Å; I286-K290 WeakPolarHBondContact O-CA 3.32Å; I286-K290 PolarHBondContact O-N 3.21Å; I286-L291 PolarHBondContact O-N 2.83Å; I286-I293 HydrophobicContact CD1-CB 3.96Å; I286-I293 HydrophobicContact CG1-CB 4.32Å; I286-I293 HydrophobicContact CG1-CD1 4.39Å; I286-I293 HydrophobicContact CG1-CG1 4.43Å; I286-K299 HydrophobicContact CD1-CD 4.33Å; I286-K299 HydrophobicContact CD1-CG 4.07Å; I286-L302 HydrophobicContact CG1-CD2 3.74Å
287T96.6Very high96.2Very high95 Ų9555.7 Ų55.758%0.58327%0.268SS*.Hα-helixtrans-67.9-50.5179.1-64.50000111.6E283 F284 Y285 E289 K290E283-T287 WeakPolarHBondContact O-CB 3.48Å; E283-T287 PolarHBondContact O-N 3.41Å; E283-T287 PolarHBondContact O-OG1 3Å; E283-T287 VanDerWaalsContact O-OG1 3.06Å; F284-T287 PolarHBondContact O-N 2.91Å; Y285-T287 VanDerWaalsContact C-N 3.32Å; Y285-T287 PolarHBondContact O-N 3.43Å; T287-E289 VanDerWaalsContact C-N 3.29Å; T287-E289 PolarHBondContact O-N 3.25Å; T287-K290 PolarHBondContact O-N 2.74Å
288K97.1Very high96.3Very high103 Ų10360 Ų6045%0.44829%0.288SS..Hα-helixtrans-59.5-39.5-178.2-180178.6175.8-177.50112.2E251 F284 Y285E251-K288 IonicContact OE1-NZ 3.96Å; E251-K288 PolarHBondContact OE1-NZ 3.11Å; E251-K288 IonicContact OE2-NZ 2.75Å; E251-K288 PolarHBondContact OE2-NZ 3.21Å; F284-K288 HydrophobicContact CE1-CD 3.74Å; F284-K288 HydrophobicContact CE2-CD 4.46Å; F284-K288 HydrophobicContact CZ-CD 3.67Å; F284-K288 WeakPolarHBondContact O-CB 3.11Å; F284-K288 PolarHBondContact O-N 2.92Å; Y285-K288 PolarHBondContact O-N 3.44Å
289E97.6Very high96.4Very high66 Ų6662.3 Ų62.331%0.30830%0.298SS..Hα-helixtrans-99.72.2-175.4-61.2175.9-161.200113.5Y285 T287 L291 R306Y285-E289 WeakPolarHBondContact CD1-OE1 3.34Å; Y285-E289 VanDerWaalsContact O-CB 3.26Å; Y285-E289 WeakPolarHBondContact O-CB 3.29Å; Y285-E289 WeakPolarHBondContact O-CG 3.24Å; Y285-E289 PolarHBondContact O-N 3.18Å; T287-E289 VanDerWaalsContact C-N 3.29Å; T287-E289 PolarHBondContact O-N 3.25Å; E289-L291 VanDerWaalsContact C-N 3.27Å; E289-L291 HydrophobicContact CB-CD1 4.04Å; E289-L291 HydrophobicContact CB-CD2 4.22Å; E289-L291 HydrophobicContact CB-CG 3.76Å; E289-L291 PolarHBondContact O-N 3.01Å; E289-R306 VanDerWaalsContact OE1-CD 3.25Å; E289-R306 WeakPolarHBondContact OE1-CD 3.44Å; E289-R306 IonicContact OE1-CZ 2.97Å; E289-R306 IonicContact OE1-NE 3.6Å; E289-R306 PolarHBondContact OE1-NE 3.21Å; E289-R306 IonicContact OE1-NH2 3.67Å; E289-R306 IonicContact OE2-CZ 3.46Å; E289-R306 VanDerWaalsContact OE2-CZ 3.23Å; E289-R306 IonicContact OE2-NE 3.58Å; E289-R306 PolarHBondContact OE2-NE 3.15Å; E289-R306 IonicContact OE2-NH2 3.47Å; E289-R306 PolarHBondContact OE2-NH2 3.5Å
290K96Very high96.4Very high176 Ų17660.3 Ų60.377%0.76529%0.287SS*.THydrogen-bonded Turntrans56.639.9179-54.5178.6-179.8179.60112.9I286 T287 R392I286-K290 CarbonylContact O-C 3.54Å; I286-K290 WeakPolarHBondContact O-CA 3.32Å; I286-K290 PolarHBondContact O-N 3.21Å; T287-K290 PolarHBondContact O-N 2.74Å; K290-R392 PolarHBondContact O-NH1 3.06Å; K290-R392 VanDerWaalsContact O-NH1 3.09Å
291L96.4Very high96.5Very high60 Ų6064.7 Ų64.731%0.31430%0.299SS..  trans-83.4170.9179.4-54.7177.5000111.1I286 E289 I293 L302I286-L291 PolarHBondContact O-N 2.83Å; E289-L291 VanDerWaalsContact C-N 3.27Å; E289-L291 HydrophobicContact CB-CD1 4.04Å; E289-L291 HydrophobicContact CB-CD2 4.22Å; E289-L291 HydrophobicContact CB-CG 3.76Å; E289-L291 PolarHBondContact O-N 3.01Å; L291-I293 HydrophobicContact CB-CG1 4.41Å; L291-I293 HydrophobicContact CD1-CD1 4.4Å; L291-L302 HydrophobicContact CD1-CD1 3.95Å; L291-L302 HydrophobicContact CD1-CD2 4.03Å
292F96.4Very high96.5Very high39 Ų3965.5 Ų65.517%0.17130%0.303CS..  trans-134.4102.1170.7-178.7-108.3000108.7L294 Y379 R392 I395 P396F292-L294 HydrophobicContact CE1-CD1 3.84Å; F292-L294 HydrophobicContact CE1-CD2 4.44Å; F292-L294 HydrophobicContact CE1-CG 4.01Å; F292-L294 HydrophobicContact CE2-CD2 3.88Å; F292-L294 HydrophobicContact CE2-CG 4.31Å; F292-L294 HydrophobicContact CZ-CD1 3.72Å; F292-L294 HydrophobicContact CZ-CD2 3.72Å; F292-L294 HydrophobicContact CZ-CG 3.79Å; F292-Y379 HydrophobicContact CD1-CD1 4.44Å; F292-Y379 AromaticContact CD1-CE1 3.71Å; F292-Y379 HydrophobicContact CD1-CE1 3.71Å; F292-Y379 AromaticContact CD1-CE2 3.83Å; F292-Y379 HydrophobicContact CD1-CE2 3.83Å; F292-Y379 AromaticContact CD1-CZ 3.36Å; F292-Y379 WeakPolarHBondContact CD1-OH 3.22Å; F292-Y379 HydrophobicContact CE1-CD1 4.25Å; F292-Y379 HydrophobicContact CE1-CD2 4.47Å; F292-Y379 AromaticContact CE1-CE1 3.96Å; F292-Y379 HydrophobicContact CE1-CE1 3.96Å; F292-Y379 HydrophobicContact CE1-CE2 4.17Å; F292-Y379 AromaticContact CE1-CZ 3.93Å; F292-Y379 HydrophobicContact CG-CE2 4.47Å; F292-R392 HydrophobicContact CB-CG 4.08Å; F292-R392 HydrophobicContact CD1-CG 4.37Å; F292-R392 HydrophobicContact CD2-CB 3.95Å; F292-R392 HydrophobicContact CD2-CG 3.71Å; F292-R392 HydrophobicContact CE2-CB 4.12Å; F292-R392 HydrophobicContact CE2-CG 4.17Å; F292-R392 HydrophobicContact CG-CG 3.81Å; F292-I395 HydrophobicContact CE1-CD1 4.15Å; F292-I395 HydrophobicContact CZ-CB 4Å; F292-I395 HydrophobicContact CZ-CD1 3.94Å; F292-I395 HydrophobicContact CZ-CG2 4.16Å; F292-P396 HydrophobicContact CE2-CG 3.84Å; F292-P396 HydrophobicContact CZ-CG 4.49Å
293I96.3Very high96.5Very high40 Ų4065.5 Ų65.521%0.20530%0.303CS..  trans-132.5122.3-178.6-54.6-175.6000107.8I286 L291 H298 K299 L302I286-I293 HydrophobicContact CD1-CB 3.96Å; I286-I293 HydrophobicContact CG1-CB 4.32Å; I286-I293 HydrophobicContact CG1-CD1 4.39Å; I286-I293 HydrophobicContact CG1-CG1 4.43Å; L291-I293 HydrophobicContact CB-CG1 4.41Å; L291-I293 HydrophobicContact CD1-CD1 4.4Å; I293-H298 HydrophobicContact CG2-CB 3.49Å; I293-H298 VanDerWaalsContact CG2-CB 3.49Å; I293-K299 HydrophobicContact CG2-CG 3.87Å; I293-K299 VanDerWaalsContact O-CE 3.23Å; I293-K299 WeakPolarHBondContact O-CE 3.35Å; I293-L302 HydrophobicContact CD1-CB 4.06Å; I293-L302 HydrophobicContact CD1-CD1 4.46Å; I293-L302 HydrophobicContact CD1-CD2 3.74Å; I293-L302 HydrophobicContact CD1-CG 4.29Å
294L92.8Very high96.5Very high26 Ų2662 Ų6214%0.13629%0.288CS..  trans-100.3-58.2-177.3-63.5171.5000111F292 E296 K299 L376 I395 P396F292-L294 HydrophobicContact CE1-CD1 3.84Å; F292-L294 HydrophobicContact CE1-CD2 4.44Å; F292-L294 HydrophobicContact CE1-CG 4.01Å; F292-L294 HydrophobicContact CE2-CD2 3.88Å; F292-L294 HydrophobicContact CE2-CG 4.31Å; F292-L294 HydrophobicContact CZ-CD1 3.72Å; F292-L294 HydrophobicContact CZ-CD2 3.72Å; F292-L294 HydrophobicContact CZ-CG 3.79Å; L294-E296 PolarHBondContact O-N 3.47Å; L294-K299 WeakPolarHBondContact O-CE 3.49Å; L294-L376 HydrophobicContact CD1-CD2 3.9Å; L294-I395 HydrophobicContact CD1-CG2 3.47Å; L294-I395 VanDerWaalsContact CD1-CG2 3.47Å; L294-I395 HydrophobicContact CD2-CG2 4.37Å; L294-P396 HydrophobicContact CD2-CB 4.33Å; L294-P396 HydrophobicContact CD2-CG 4.06Å
295E93.4Very high96.5Very high95 Ų9562.5 Ų62.544%0.44430%0.3SS..SBendtrans-57.8130.5-174.1-57.9-57.6147.700112.4E297 H298 K299 H399E295-E297 VanDerWaalsContact C-N 3.29Å; E295-E297 PolarHBondContact O-N 2.86Å; E295-H298 HydrophobicContact CB-CB 4.25Å; E295-H298 PolarHBondContact O-N 3.39Å; E295-H298 VanDerWaalsContact O-N 3.07Å; E295-K299 PolarHBondContact O-N 2.79Å; E295-H399 IonicContact OE1-NE2 2.64Å
296E93.1Very high96.5Very high65 Ų6566.4 Ų66.430%0.30431%0.314SS..Hα-helixtrans-56.7-43.4-178.9-164.7-17886.400111.4K275 L279 L294 H298 K299 I300 Y324K275-E296 IonicContact NZ-OE1 2.63Å; K275-E296 PolarHBondContact NZ-OE1 3.06Å; K275-E296 IonicContact NZ-OE2 3.15Å; K275-E296 PolarHBondContact NZ-OE2 3.41Å; L279-E296 HydrophobicContact CD2-CG 3.79Å; L294-E296 PolarHBondContact O-N 3.47Å; E296-H298 VanDerWaalsContact C-N 3.29Å; E296-H298 PolarHBondContact O-N 3.49Å; E296-K299 WeakPolarHBondContact O-CB 3.21Å; E296-K299 PolarHBondContact O-N 3.12Å; E296-K299 VanDerWaalsContact O-N 3.08Å; E296-I300 WeakPolarHBondContact O-CG1 3.44Å; E296-I300 PolarHBondContact O-N 2.79Å; E296-Y324 WeakPolarHBondContact OE1-CE1 3.33Å; E296-Y324 VanDerWaalsContact OE1-CZ 3.28Å; E296-Y324 PolarHBondContact OE1-OH 3.28Å
297E94.2Very high96.5Very high121 Ų12165.8 Ų65.857%0.56531%0.311SS*.Hα-helixtrans-58.7-41.1177.9-167.2-162.5142.600111.9E295 I300 R301E295-E297 VanDerWaalsContact C-N 3.29Å; E295-E297 PolarHBondContact O-N 2.86Å; E297-I300 PolarHBondContact O-N 3.39Å; E297-R301 WeakPolarHBondContact O-CB 3.45Å; E297-R301 PolarHBondContact O-N 2.84Å; E297-R301 IonicContact OE1-CZ 3.83Å; E297-R301 IonicContact OE1-NH2 3.75Å; E297-R301 PolarHBondContact OE1-NH2 2.93Å
298H97.1Very high96.5Very high95 Ų9561.8 Ų61.844%0.4429%0.289SS..Hα-helixtrans-70.4-33.8177.6-65.8158.4000112.1I293 E295 E296 R301 L302I293-H298 HydrophobicContact CG2-CB 3.49Å; I293-H298 VanDerWaalsContact CG2-CB 3.49Å; E295-H298 HydrophobicContact CB-CB 4.25Å; E295-H298 PolarHBondContact O-N 3.39Å; E295-H298 VanDerWaalsContact O-N 3.07Å; E296-H298 VanDerWaalsContact C-N 3.29Å; E296-H298 PolarHBondContact O-N 3.49Å; H298-R301 PolarHBondContact O-N 3.44Å; H298-L302 WeakPolarHBondContact O-CB 3.23Å; H298-L302 PolarHBondContact O-N 3.36Å
299K97.6Very high96.5Very high47 Ų4757 Ų5720%0.20427%0.269CS..Hα-helixtrans-61.8-47172.3-69.1-172.5179.1-170.90111.1L279 A282 E283 I286 I293 L294 E295 E296 R301 L302 V303L279-K299 HydrophobicContact CD2-CB 4.29Å; L279-K299 HydrophobicContact CD2-CD 4.39Å; A282-K299 HydrophobicContact CB-CB 3.65Å; A282-K299 HydrophobicContact CB-CD 4.48Å; A282-K299 HydrophobicContact CB-CG 4.26Å; E283-K299 IonicContact OE2-NZ 3.93Å; I286-K299 HydrophobicContact CD1-CD 4.33Å; I286-K299 HydrophobicContact CD1-CG 4.07Å; I293-K299 HydrophobicContact CG2-CG 3.87Å; I293-K299 VanDerWaalsContact O-CE 3.23Å; I293-K299 WeakPolarHBondContact O-CE 3.35Å; L294-K299 WeakPolarHBondContact O-CE 3.49Å; E295-K299 PolarHBondContact O-N 2.79Å; E296-K299 WeakPolarHBondContact O-CB 3.21Å; E296-K299 PolarHBondContact O-N 3.12Å; E296-K299 VanDerWaalsContact O-N 3.08Å; K299-R301 VanDerWaalsContact C-N 3.34Å; K299-R301 PolarHBondContact O-N 3.48Å; K299-L302 WeakPolarHBondContact O-CB 3.38Å; K299-L302 PolarHBondContact O-N 2.93Å; K299-V303 WeakPolarHBondContact O-CG2 3.35Å; K299-V303 PolarHBondContact O-N 3.35Å; K299-V303 VanDerWaalsContact O-N 3.14Å
300I97.3Very high96.4Very high3 Ų358 Ų582%0.01528%0.276CS..Hα-helixtrans-60.3-45.7174.9-61.2-58.7000110.5M278 L279 E296 E297 L302 V303 V304 P317M278-I300 HydrophobicContact CB-CD1 3.46Å; M278-I300 VanDerWaalsContact CB-CD1 3.46Å; M278-I300 HydrophobicContact CE-CD1 4.33Å; M278-I300 HydrophobicContact CE-CG2 3.95Å; M278-I300 HydrophobicContact CG-CD1 4.22Å; L279-I300 HydrophobicContact CD2-CD1 4.14Å; E296-I300 WeakPolarHBondContact O-CG1 3.44Å; E296-I300 PolarHBondContact O-N 2.79Å; E297-I300 PolarHBondContact O-N 3.39Å; I300-L302 VanDerWaalsContact C-N 3.33Å; I300-L302 PolarHBondContact O-N 3.17Å; I300-V303 PolarHBondContact O-N 2.87Å; I300-V303 VanDerWaalsContact O-N 3.16Å; I300-V304 HydrophobicContact CG2-CG2 4.32Å; I300-V304 WeakPolarHBondContact O-CG2 3.39Å; I300-V304 PolarHBondContact O-N 3.1Å; I300-P317 HydrophobicContact CG2-CB 3.98Å; I300-P317 HydrophobicContact CG2-CG 3.69Å
301R97.6Very high96.3Very high154 Ų15452 Ų5258%0.58126%0.256SS*.Hα-helixtrans-60.9-39.1178.1-167.5-179.9-63.3-148.63.8112.7E297 H298 K299 S305E297-R301 WeakPolarHBondContact O-CB 3.45Å; E297-R301 PolarHBondContact O-N 2.84Å; E297-R301 IonicContact OE1-CZ 3.83Å; E297-R301 IonicContact OE1-NH2 3.75Å; E297-R301 PolarHBondContact OE1-NH2 2.93Å; H298-R301 PolarHBondContact O-N 3.44Å; K299-R301 VanDerWaalsContact C-N 3.34Å; K299-R301 PolarHBondContact O-N 3.48Å; R301-S305 WeakPolarHBondContact O-CB 3.4Å; R301-S305 PolarHBondContact O-N 2.81Å
302L98.1Very high95.9Very high17 Ų1751 Ų519%0.08925%0.251CS..Hα-helixtrans-59.1-48.2174.2173.667.5000110.6I286 L291 I293 H298 K299 I300 S305 R306I286-L302 HydrophobicContact CG1-CD2 3.74Å; L291-L302 HydrophobicContact CD1-CD1 3.95Å; L291-L302 HydrophobicContact CD1-CD2 4.03Å; I293-L302 HydrophobicContact CD1-CB 4.06Å; I293-L302 HydrophobicContact CD1-CD1 4.46Å; I293-L302 HydrophobicContact CD1-CD2 3.74Å; I293-L302 HydrophobicContact CD1-CG 4.29Å; H298-L302 WeakPolarHBondContact O-CB 3.23Å; H298-L302 PolarHBondContact O-N 3.36Å; K299-L302 WeakPolarHBondContact O-CB 3.38Å; K299-L302 PolarHBondContact O-N 2.93Å; I300-L302 VanDerWaalsContact C-N 3.33Å; I300-L302 PolarHBondContact O-N 3.17Å; L302-S305 PolarHBondContact O-N 3.34Å; L302-R306 HydrophobicContact CD1-CG 3.88Å; L302-R306 HydrophobicContact CG-CG 4.26Å; L302-R306 WeakPolarHBondContact O-CB 3.41Å; L302-R306 WeakPolarHBondContact O-CG 3.44Å; L302-R306 PolarHBondContact O-N 2.72Å
303V98.1Very high95.5Very high0 Ų051.3 Ų51.30%026%0.258CS..Hα-helixtrans-65.2-45.3-178.2174.40000111.5M278 A281 A282 K299 I300 S305 R306 L307 L309M278-V303 HydrophobicContact CE-CB 4.02Å; M278-V303 HydrophobicContact CE-CG1 3.68Å; M278-V303 WeakPolarHBondContact O-CG2 3.15Å; M278-V303 HydrophobicContact SD-CG1 3.83Å; A281-V303 HydrophobicContact CB-CG1 3.98Å; A281-V303 HydrophobicContact CB-CG2 4Å; A282-V303 HydrophobicContact CB-CG2 3.52Å; K299-V303 WeakPolarHBondContact O-CG2 3.35Å; K299-V303 PolarHBondContact O-N 3.35Å; K299-V303 VanDerWaalsContact O-N 3.14Å; I300-V303 PolarHBondContact O-N 2.87Å; I300-V303 VanDerWaalsContact O-N 3.16Å; V303-S305 PolarHBondContact O-N 3.31Å; V303-R306 PolarHBondContact O-N 3.17Å; V303-L307 HydrophobicContact CG1-CD1 3.6Å; V303-L307 HydrophobicContact CG1-CG 4.12Å; V303-L307 WeakPolarHBondContact O-CB 3.44Å; V303-L307 WeakPolarHBondContact O-CG 3.09Å; V303-L307 PolarHBondContact O-N 3.01Å; V303-L309 HydrophobicContact CG1-CD1 4.45Å
304V97.7Very high95.2Very high18 Ų1855 Ų5511%0.10929%0.285CS..Hα-helixtrans-53.7-46.7174.21720000110.3M278 I300 G308 L309 D310 F315M278-V304 HydrophobicContact CE-CG2 4.14Å; I300-V304 HydrophobicContact CG2-CG2 4.32Å; I300-V304 WeakPolarHBondContact O-CG2 3.39Å; I300-V304 PolarHBondContact O-N 3.1Å; V304-G308 CarbonylContact O-C 3.6Å; V304-G308 WeakPolarHBondContact O-CA 3.44Å; V304-G308 PolarHBondContact O-N 3.45Å; V304-L309 HydrophobicContact CG1-CB 4.3Å; V304-L309 HydrophobicContact CG2-CD1 4.05Å; V304-L309 PolarHBondContact O-N 3.3Å; V304-D310 HydrophobicContact CG1-CB 4.24Å; V304-F315 HydrophobicContact CG1-CB 4.32Å; V304-F315 HydrophobicContact CG2-CD1 3.41Å; V304-F315 VanDerWaalsContact CG2-CD1 3.41Å; V304-F315 HydrophobicContact CG2-CE1 3.84Å; V304-F315 HydrophobicContact CG2-CG 4.16Å
305S97.7Very high95.2Very high75 Ų7554.9 Ų54.952%0.52428%0.283SS..Hα-helixtrans-67.4-41.8178.2175.10000113.7R301 L302 V303R301-S305 WeakPolarHBondContact O-CB 3.4Å; R301-S305 PolarHBondContact O-N 2.81Å; L302-S305 PolarHBondContact O-N 3.34Å; V303-S305 PolarHBondContact O-N 3.31Å
306R97.8Very high95.1Very high86 Ų8653.2 Ų53.233%0.32528%0.277SS..Hα-helixtrans-72.4-39.8-176.1-75-67.8174.4-78.7-0.4113.3Y250 Y285 E289 L302 V303Y250-R306 WeakPolarHBondContact CE1-O 3.43Å; Y285-R306 HydrophobicContact CD1-CB 4.15Å; Y285-R306 HydrophobicContact CD1-CG 3.88Å; Y285-R306 HydrophobicContact CD2-CB 3.87Å; Y285-R306 HydrophobicContact CD2-CG 4.1Å; Y285-R306 HydrophobicContact CE1-CB 4.03Å; Y285-R306 HydrophobicContact CE1-CG 4.21Å; Y285-R306 HydrophobicContact CE2-CB 3.74Å; Y285-R306 HydrophobicContact CE2-CG 4.42Å; Y285-R306 HydrophobicContact CG-CB 4.1Å; Y285-R306 HydrophobicContact CG-CG 3.86Å; E289-R306 VanDerWaalsContact OE1-CD 3.25Å; E289-R306 WeakPolarHBondContact OE1-CD 3.44Å; E289-R306 IonicContact OE1-CZ 2.97Å; E289-R306 IonicContact OE1-NE 3.6Å; E289-R306 PolarHBondContact OE1-NE 3.21Å; E289-R306 IonicContact OE1-NH2 3.67Å; E289-R306 IonicContact OE2-CZ 3.46Å; E289-R306 VanDerWaalsContact OE2-CZ 3.23Å; E289-R306 IonicContact OE2-NE 3.58Å; E289-R306 PolarHBondContact OE2-NE 3.15Å; E289-R306 IonicContact OE2-NH2 3.47Å; E289-R306 PolarHBondContact OE2-NH2 3.5Å; L302-R306 HydrophobicContact CD1-CG 3.88Å; L302-R306 HydrophobicContact CG-CG 4.26Å; L302-R306 WeakPolarHBondContact O-CB 3.41Å; L302-R306 WeakPolarHBondContact O-CG 3.44Å; L302-R306 PolarHBondContact O-N 2.72Å; V303-R306 PolarHBondContact O-N 3.17Å
307L97.8Very high95.1Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-85.9-14.8177.2-58.1-175.2000111.6L246 Y250 G266 S267 Y285 V303 L309L246-L307 HydrophobicContact CD2-CD1 3.45Å; L246-L307 VanDerWaalsContact CD2-CD1 3.45Å; L246-L307 HydrophobicContact CG-CD1 3.8Å; Y250-L307 HydrophobicContact CD1-CD2 3.52Å; Y250-L307 HydrophobicContact CD2-CD2 4.3Å; Y250-L307 HydrophobicContact CE1-CD2 4.19Å; Y250-L307 WeakPolarHBondContact CE2-O 3.38Å; Y250-L307 HydrophobicContact CG-CD2 3.57Å; G266-L307 CarbonylContact C-O 3.57Å; G266-L307 WeakPolarHBondContact CA-O 3.38Å; S267-L307 WeakPolarHBondContact CB-O 3.16Å; S267-L307 PolarHBondContact N-O 3.24Å; S267-L307 VanDerWaalsContact N-O 3.14Å; S267-L307 PolarHBondContact OG-O 3.06Å; Y285-L307 HydrophobicContact CE2-CD2 3.81Å; Y285-L307 HydrophobicContact CE2-CG 4.31Å; Y285-L307 WeakPolarHBondContact OH-CD2 3.27Å; V303-L307 HydrophobicContact CG1-CD1 3.6Å; V303-L307 HydrophobicContact CG1-CG 4.12Å; V303-L307 WeakPolarHBondContact O-CB 3.44Å; V303-L307 WeakPolarHBondContact O-CG 3.09Å; V303-L307 PolarHBondContact O-N 3.01Å; L307-L309 HydrophobicContact CB-CD2 3.96Å; L307-L309 HydrophobicContact CB-CG 3.96Å; L307-L309 HydrophobicContact CD1-CD2 4.39Å
308G97.2Very high94.8Very high12 Ų1251.6 Ų51.612%0.12427%0.272CS..THydrogen-bonded Turntrans61.843.5-175.700000112.1S267 V304 D310 S311S267-G308 PolarHBondContact N-O 2.86Å; V304-G308 CarbonylContact O-C 3.6Å; V304-G308 WeakPolarHBondContact O-CA 3.44Å; V304-G308 PolarHBondContact O-N 3.45Å; G308-D310 PolarHBondContact O-N 2.97Å; G308-D310 VanDerWaalsContact O-N 3.16Å; G308-S311 WeakPolarHBondContact O-CB 3.48Å; G308-S311 PolarHBondContact O-N 2.84Å; G308-S311 VanDerWaalsContact O-N 3.14Å; G308-S311 PolarHBondContact O-OG 3.37Å
309L96.7Very high94.2Very high3 Ų352 Ų522%0.01627%0.274CS..THydrogen-bonded Turntrans-63-17.8-175.4-64.6179.2000113.5Y185 S267 L269 M278 V303 V304 L307 F315Y185-L309 HydrophobicContact CE2-CD2 3.74Å; S267-L309 CarbonylContact O-C 3.45Å; S267-L309 WeakPolarHBondContact O-CA 3.44Å; S267-L309 WeakPolarHBondContact OG-CD2 3.45Å; L269-L309 HydrophobicContact CD1-CD1 3.79Å; L269-L309 HydrophobicContact CD1-CD2 3.82Å; L269-L309 HydrophobicContact CD1-CG 4.4Å; L269-L309 HydrophobicContact CG-CD2 3.86Å; M278-L309 HydrophobicContact CE-CD1 3.73Å; M278-L309 HydrophobicContact SD-CD1 3.98Å; V303-L309 HydrophobicContact CG1-CD1 4.45Å; V304-L309 HydrophobicContact CG1-CB 4.3Å; V304-L309 HydrophobicContact CG2-CD1 4.05Å; V304-L309 PolarHBondContact O-N 3.3Å; L307-L309 HydrophobicContact CB-CD2 3.96Å; L307-L309 HydrophobicContact CB-CG 3.96Å; L307-L309 HydrophobicContact CD1-CD2 4.39Å; L309-F315 HydrophobicContact CB-CB 4.25Å; L309-F315 HydrophobicContact CB-CD2 4.22Å; L309-F315 HydrophobicContact CB-CG 4.22Å; L309-F315 HydrophobicContact CD1-CD2 4.46Å; L309-F315 HydrophobicContact CD1-CE2 4.39Å; L309-F315 HydrophobicContact CD1-CZ 4.46Å
310D94.3Very high93.7Very high87 Ų8750.7 Ų50.747%0.46527%0.268SS..THydrogen-bonded Turntrans-96.67.5-179.160.1-18.1000113.4V304 G308 L312 S313 F315V304-D310 HydrophobicContact CG1-CB 4.24Å; G308-D310 PolarHBondContact O-N 2.97Å; G308-D310 VanDerWaalsContact O-N 3.16Å; D310-L312 PolarHBondContact O-N 2.92Å; D310-S313 CarbonylContact C-O 3.58Å; D310-S313 VanDerWaalsContact CA-O 3.23Å; D310-S313 WeakPolarHBondContact CA-O 3.47Å; D310-F315 HydrophobicContact CB-CB 4.38Å
311S93.9Very high93.4Very high50 Ų5050.5 Ų50.535%0.3527%0.267SS..SBendtrans-65-32.9-171.258.80000115N188 S267 G308N188-S311 PolarHBondContact ND2-OG 3.38Å; S267-S311 PolarHBondContact N-OG 2.72Å; S267-S311 PolarHBondContact O-OG 2.97Å; G308-S311 WeakPolarHBondContact O-CB 3.48Å; G308-S311 PolarHBondContact O-N 2.84Å; G308-S311 VanDerWaalsContact O-N 3.14Å; G308-S311 PolarHBondContact O-OG 3.37Å
312L89.4Confident92.7Very high37 Ų3744 Ų4419%0.19424%0.244CC..SBendtrans-103.4-31.6178.9-65-176.7000113.2L226 K229 Q233 Q268 D310L226-L312 HydrophobicContact CD1-CD1 4.03Å; K229-L312 HydrophobicContact CD-CD2 4.48Å; K229-L312 HydrophobicContact CG-CD2 4.18Å; Q233-L312 VanDerWaalsContact NE2-CD1 3.3Å; Q268-L312 HydrophobicContact CB-CD1 4.19Å; D310-L312 PolarHBondContact O-N 2.92Å
313S87.4Confident92.1Very high47 Ų4746 Ų4633%0.32925%0.253SS..SBendtrans-154.3149.7179.357.40000109.2D310 F315D310-S313 CarbonylContact C-O 3.58Å; D310-S313 VanDerWaalsContact CA-O 3.23Å; D310-S313 WeakPolarHBondContact CA-O 3.47Å; S313-F315 PolarHBondContact O-N 3.41Å
314P90.8Very high91.5Very high118 Ų11847 Ų4777%0.76626%0.257SS*.  trans-54.2134.5177.3-24.333.8000112.4
315F92.6Very high90.5Very high23 Ų2347.8 Ų47.810%0.10126%0.26CS..  trans-91.7111172.3-176.7-93.6000109.5L269 I273 M278 V304 L309 D310 S313 P317 R320L269-F315 HydrophobicContact CD1-CD2 4.47Å; L269-F315 HydrophobicContact CD1-CE2 3.7Å; L269-F315 HydrophobicContact CD1-CZ 4.28Å; I273-F315 HydrophobicContact CG2-CZ 4.18Å; M278-F315 HydrophobicContact CE-CE1 4.07Å; M278-F315 HydrophobicContact CE-CZ 4.21Å; V304-F315 HydrophobicContact CG1-CB 4.32Å; V304-F315 HydrophobicContact CG2-CD1 3.41Å; V304-F315 VanDerWaalsContact CG2-CD1 3.41Å; V304-F315 HydrophobicContact CG2-CE1 3.84Å; V304-F315 HydrophobicContact CG2-CG 4.16Å; L309-F315 HydrophobicContact CB-CB 4.25Å; L309-F315 HydrophobicContact CB-CD2 4.22Å; L309-F315 HydrophobicContact CB-CG 4.22Å; L309-F315 HydrophobicContact CD1-CD2 4.46Å; L309-F315 HydrophobicContact CD1-CE2 4.39Å; L309-F315 HydrophobicContact CD1-CZ 4.46Å; D310-F315 HydrophobicContact CB-CB 4.38Å; S313-F315 PolarHBondContact O-N 3.41Å; F315-P317 HydrophobicContact CD1-CG 3.98Å; F315-P317 HydrophobicContact CE1-CB 4.16Å; F315-P317 HydrophobicContact CE1-CG 3.86Å; F315-P317 WeakPolarHBondContact O-CD 3.35Å; F315-R320 HydrophobicContact CD2-CB 4.43Å; F315-R320 HydrophobicContact CD2-CG 4.34Å; F315-R320 HydrophobicContact CE2-CB 3.7Å; F315-R320 HydrophobicContact CE2-CG 4.09Å; F315-R320 HydrophobicContact CZ-CB 3.85Å
316N91.5Very high89.1Confident60 Ų6045.4 Ų45.432%0.32124%0.243SC..  trans-98.9104.7174.4-175.8-2.3000110.6Q318 E319 R320N316-Q318 PolarHBondContact O-N 2.84Å; N316-Q318 VanDerWaalsContact O-N 3.15Å; N316-Q318 PolarHBondContact OD1-N 3.43Å; N316-E319 HydrophobicContact CB-CB 4.39Å; N316-E319 PolarHBondContact ND2-OE1 3.47Å; N316-E319 VanDerWaalsContact ND2-OE1 3.11Å; N316-E319 PolarHBondContact ND2-OE2 3.5Å; N316-E319 PolarHBondContact O-N 3.4Å; N316-E319 VanDerWaalsContact O-N 3.11Å; N316-R320 WeakPolarHBondContact O-CB 3.47Å; N316-R320 WeakPolarHBondContact O-CG 3.49Å; N316-R320 PolarHBondContact O-N 3.07Å; N316-R320 VanDerWaalsContact O-N 3.15Å
317P92.2Very high87.8Confident33 Ų3346.4 Ų46.421%0.21425%0.251CS..Hα-helixtrans-58.8-32.1-176.9-23.733.4000113.9I300 F315 E319 R320 V321 Y324I300-P317 HydrophobicContact CG2-CB 3.98Å; I300-P317 HydrophobicContact CG2-CG 3.69Å; F315-P317 HydrophobicContact CD1-CG 3.98Å; F315-P317 HydrophobicContact CE1-CB 4.16Å; F315-P317 HydrophobicContact CE1-CG 3.86Å; F315-P317 WeakPolarHBondContact O-CD 3.35Å; P317-E319 PolarHBondContact O-N 2.92Å; P317-R320 PolarHBondContact O-N 3.44Å; P317-V321 HydrophobicContact CB-CG2 4.18Å; P317-V321 VanDerWaalsContact O-CB 3.28Å; P317-V321 WeakPolarHBondContact O-CB 3.49Å; P317-V321 WeakPolarHBondContact O-CG2 3.43Å; P317-V321 PolarHBondContact O-N 3.09Å; P317-Y324 HydrophobicContact CB-CD2 4.34Å; P317-Y324 HydrophobicContact CB-CE2 4.16Å
318Q88.1Confident86Confident118 Ų11849.7 Ų49.755%0.55128%0.278SS*.Hα-helixtrans-67.2-22.7-178-63-61.5-34.400113N316 L325N316-Q318 PolarHBondContact O-N 2.84Å; N316-Q318 VanDerWaalsContact O-N 3.15Å; N316-Q318 PolarHBondContact OD1-N 3.43Å; Q318-L325 WeakPolarHBondContact O-CD2 3.4Å
319E84.3Confident84Confident104 Ų10452.3 Ų52.349%0.48631%0.305SS..Hα-helixtrans-103.8-16.8-179.7-70.6165.4-175.300112.5L272 N316 P317L272-E319 WeakPolarHBondContact CD2-O 3.23Å; N316-E319 HydrophobicContact CB-CB 4.39Å; N316-E319 PolarHBondContact ND2-OE1 3.47Å; N316-E319 VanDerWaalsContact ND2-OE1 3.11Å; N316-E319 PolarHBondContact ND2-OE2 3.5Å; N316-E319 PolarHBondContact O-N 3.4Å; N316-E319 VanDerWaalsContact O-N 3.11Å; P317-E319 PolarHBondContact O-N 2.92Å
320R86.8Confident82.2Confident19 Ų1956.9 Ų56.97%0.07233%0.326CS..Hα-helixtrans-111.9-23.7-171.3-55-61-70.8-97.5-6113.6D37 L269 G271 L272 I273 F315 N316 P317D37-R320 IonicContact OD1-NH1 4Å; D37-R320 IonicContact OD2-CZ 2.67Å; D37-R320 IonicContact OD2-NE 2.94Å; D37-R320 IonicContact OD2-NH1 3.23Å; D37-R320 PolarHBondContact OD2-NH1 2.99Å; D37-R320 IonicContact OD2-NH2 2.72Å; L269-R320 PolarHBondContact O-NH2 2.97Å; G271-R320 PolarHBondContact O-NE 3.18Å; G271-R320 PolarHBondContact O-NH2 2.8Å; L272-R320 CarbonylContact C-O 3.48Å; L272-R320 WeakPolarHBondContact CA-O 3.4Å; I273-R320 PolarHBondContact N-O 3.41Å; F315-R320 HydrophobicContact CD2-CB 4.43Å; F315-R320 HydrophobicContact CD2-CG 4.34Å; F315-R320 HydrophobicContact CE2-CB 3.7Å; F315-R320 HydrophobicContact CE2-CG 4.09Å; F315-R320 HydrophobicContact CZ-CB 3.85Å; N316-R320 WeakPolarHBondContact O-CB 3.47Å; N316-R320 WeakPolarHBondContact O-CG 3.49Å; N316-R320 PolarHBondContact O-N 3.07Å; N316-R320 VanDerWaalsContact O-N 3.15Å; P317-R320 PolarHBondContact O-N 3.44Å
321V90.9Very high80.1Confident0 Ų058.1 Ų58.10%035%0.348CS..BIsolated β-bridgetrans-91121.9177.6179.30000110.1I273 K275 P317 E323 Y324 L325I273-V321 HydrophobicContact CG2-CG2 4.21Å; I273-V321 WeakPolarHBondContact O-CA 3.29Å; K275-V321 HydrophobicContact CB-CG1 3.59Å; K275-V321 HydrophobicContact CG-CG1 4.07Å; P317-V321 HydrophobicContact CB-CG2 4.18Å; P317-V321 VanDerWaalsContact O-CB 3.28Å; P317-V321 WeakPolarHBondContact O-CB 3.49Å; P317-V321 WeakPolarHBondContact O-CG2 3.43Å; P317-V321 PolarHBondContact O-N 3.09Å; V321-E323 PolarHBondContact O-N 3.11Å; V321-Y324 HydrophobicContact CB-CD2 3.57Å; V321-Y324 HydrophobicContact CB-CE2 4.04Å; V321-Y324 HydrophobicContact CB-CG 4.07Å; V321-Y324 HydrophobicContact CG1-CD1 4.49Å; V321-Y324 HydrophobicContact CG1-CD2 3.87Å; V321-Y324 HydrophobicContact CG1-CE2 4.1Å; V321-Y324 HydrophobicContact CG1-CG 4.06Å; V321-Y324 HydrophobicContact CG2-CD2 4.07Å; V321-Y324 HydrophobicContact CG2-CE2 4.12Å; V321-Y324 PolarHBondContact O-N 3.2Å; V321-L325 PolarHBondContact O-N 3.14Å
322I84.1Confident78.6Confident17 Ų1761.8 Ų61.89%0.08736%0.364CS..Hα-helixtrans-55.4-49.7-173.6-62.7168.8000112.1V96 F181 L272 I273 P274 Y324 L325 V326V96-I322 HydrophobicContact CG1-CG2 3.38Å; F181-I322 HydrophobicContact CD2-CD1 3.7Å; F181-I322 HydrophobicContact CE1-CD1 4.21Å; F181-I322 HydrophobicContact CE2-CD1 3.23Å; F181-I322 HydrophobicContact CE2-CG1 4.19Å; F181-I322 HydrophobicContact CG-CD1 4.37Å; F181-I322 HydrophobicContact CZ-CD1 3.53Å; F181-I322 HydrophobicContact CZ-CG1 4.37Å; L272-I322 HydrophobicContact CB-CD1 4.49Å; L272-I322 HydrophobicContact CB-CG1 3.85Å; L272-I322 HydrophobicContact CD1-CG1 4.12Å; I273-I322 PolarHBondContact O-N 2.86Å; I273-I322 VanDerWaalsContact O-N 3.11Å; P274-I322 HydrophobicContact CB-CD1 4.25Å; P274-I322 HydrophobicContact CG-CD1 3.9Å; I322-Y324 VanDerWaalsContact C-N 3.27Å; I322-Y324 PolarHBondContact O-N 2.98Å; I322-L325 WeakPolarHBondContact O-CB 3.17Å; I322-L325 PolarHBondContact O-N 2.75Å; I322-V326 HydrophobicContact CG2-CG2 4.45Å; I322-V326 WeakPolarHBondContact O-CG2 3.49Å; I322-V326 PolarHBondContact O-N 3.35Å
323E84.3Confident77.6Confident59 Ų5967.4 Ų67.428%0.27638%0.383SS..Hα-helixtrans-66.5-30.8-174-67.489.3144.700111.9K275 V321 Q327K275-E323 HydrophobicContact CB-CB 4.21Å; K275-E323 HydrophobicContact CB-CG 4.14Å; K275-E323 WeakPolarHBondContact CB-OE1 3.21Å; K275-E323 WeakPolarHBondContact CB-OE2 3.37Å; K275-E323 VanDerWaalsContact N-CD 3.32Å; K275-E323 PolarHBondContact N-OE1 3.06Å; K275-E323 PolarHBondContact N-OE2 3.39Å; V321-E323 PolarHBondContact O-N 3.11Å; E323-Q327 WeakPolarHBondContact O-CB 3.49Å; E323-Q327 VanDerWaalsContact O-CG 3.24Å; E323-Q327 WeakPolarHBondContact O-CG 3.2Å; E323-Q327 PolarHBondContact O-N 3.2Å
324Y86.3Confident77.4Confident20 Ų2066 Ų668%0.07838%0.376CS..Hα-helixtrans-70.9-39.9175.2-62.6-20.7000111.5K275 E296 P317 V321 I322 V326 Q327 A328K275-Y324 HydrophobicContact CD-CD1 4.42Å; K275-Y324 HydrophobicContact CD-CE1 3.65Å; E296-Y324 WeakPolarHBondContact OE1-CE1 3.33Å; E296-Y324 VanDerWaalsContact OE1-CZ 3.28Å; E296-Y324 PolarHBondContact OE1-OH 3.28Å; P317-Y324 HydrophobicContact CB-CD2 4.34Å; P317-Y324 HydrophobicContact CB-CE2 4.16Å; V321-Y324 HydrophobicContact CB-CD2 3.57Å; V321-Y324 HydrophobicContact CB-CE2 4.04Å; V321-Y324 HydrophobicContact CB-CG 4.07Å; V321-Y324 HydrophobicContact CG1-CD1 4.49Å; V321-Y324 HydrophobicContact CG1-CD2 3.87Å; V321-Y324 HydrophobicContact CG1-CE2 4.1Å; V321-Y324 HydrophobicContact CG1-CG 4.06Å; V321-Y324 HydrophobicContact CG2-CD2 4.07Å; V321-Y324 HydrophobicContact CG2-CE2 4.12Å; V321-Y324 PolarHBondContact O-N 3.2Å; I322-Y324 VanDerWaalsContact C-N 3.27Å; I322-Y324 PolarHBondContact O-N 2.98Å; Y324-V326 VanDerWaalsContact C-N 3.33Å; Y324-V326 PolarHBondContact O-N 3.36Å; Y324-Q327 PolarHBondContact O-N 3.17Å; Y324-A328 PolarHBondContact O-N 2.83Å
325L76.5Confident77.2Confident36 Ų3661.4 Ų61.419%0.18835%0.345CS..Hα-helixtrans-61.5-42.5173.9-70.3169.9000112L36 L272 Q318 V321 I322 A328 G329L36-L325 HydrophobicContact CD1-CD1 3.65Å; L36-L325 HydrophobicContact CD2-CD1 4.01Å; L36-L325 HydrophobicContact CD2-CD2 3.78Å; L36-L325 HydrophobicContact CG-CD1 4.42Å; L272-L325 HydrophobicContact CD1-CD1 4.1Å; L272-L325 HydrophobicContact CD2-CD1 3.72Å; Q318-L325 WeakPolarHBondContact O-CD2 3.4Å; V321-L325 PolarHBondContact O-N 3.14Å; I322-L325 WeakPolarHBondContact O-CB 3.17Å; I322-L325 PolarHBondContact O-N 2.75Å; L325-A328 PolarHBondContact O-N 3.16Å; L325-G329 PolarHBondContact O-N 3.15Å
326V69.1Low77Confident25 Ų2563.4 Ų63.415%0.15236%0.359CS..Hα-helixtrans-62.4-48177.5167.70000111.1L4 V96 M97 I322 Y324 A328 G329L4-V326 HydrophobicContact CD2-CG2 3.86Å; V96-V326 HydrophobicContact CG1-CG2 4.26Å; M97-V326 HydrophobicContact CB-CG2 4.4Å; M97-V326 HydrophobicContact CE-CB 4.42Å; M97-V326 HydrophobicContact CE-CG1 3.68Å; M97-V326 HydrophobicContact CE-CG2 4.08Å; M97-V326 HydrophobicContact SD-CB 4.45Å; M97-V326 HydrophobicContact SD-CG1 3.29Å; M97-V326 WeakPolarHBondContact SD-CG1 3.24Å; M97-V326 HydrophobicContact SD-CG2 4.34Å; I322-V326 HydrophobicContact CG2-CG2 4.45Å; I322-V326 WeakPolarHBondContact O-CG2 3.49Å; I322-V326 PolarHBondContact O-N 3.35Å; Y324-V326 VanDerWaalsContact C-N 3.33Å; Y324-V326 PolarHBondContact O-N 3.36Å; V326-A328 VanDerWaalsContact C-N 3.28Å; V326-A328 PolarHBondContact O-N 3.44Å; V326-G329 PolarHBondContact O-N 3.4Å; V326-G329 VanDerWaalsContact O-N 3.15Å
327Q68.9Low76.8Confident107 Ų10763.3 Ų63.350%0.537%0.366SS..Hα-helixtrans-62.4-34.4179.7-74.6173.6-0.900112.9E323 Y324 G329E323-Q327 WeakPolarHBondContact O-CB 3.49Å; E323-Q327 VanDerWaalsContact O-CG 3.24Å; E323-Q327 WeakPolarHBondContact O-CG 3.2Å; E323-Q327 PolarHBondContact O-N 3.2Å; Y324-Q327 PolarHBondContact O-N 3.17Å; Q327-G329 VanDerWaalsContact C-N 3.25Å; Q327-G329 PolarHBondContact O-N 3.34Å
328A61.3Low76.6Confident68 Ų6866.2 Ų66.256%0.56238%0.376SS*.Hα-helixtrans-63.7-31.6177.400000112.7Y324 L325 V326Y324-A328 PolarHBondContact O-N 2.83Å; L325-A328 PolarHBondContact O-N 3.16Å; V326-A328 VanDerWaalsContact C-N 3.28Å; V326-A328 PolarHBondContact O-N 3.44Å
329G54.6Low76.8Confident68 Ų6865.3 Ų65.370%0.70138%0.38SS*.Hα-helixtrans-88.2-7.1-175.900000116.4L325 V326 Q327 A331L325-G329 PolarHBondContact O-N 3.15Å; V326-G329 PolarHBondContact O-N 3.4Å; V326-G329 VanDerWaalsContact O-N 3.15Å; Q327-G329 VanDerWaalsContact C-N 3.25Å; Q327-G329 PolarHBondContact O-N 3.34Å; G329-A331 PolarHBondContact O-N 2.92Å
330E58.5Low77.3Confident99 Ų9966.8 Ų66.846%0.46339%0.39SS..  trans-76.6120.5-179.7-71.2-170.9154.700112.3
331A50.3Low77.7Confident112 Ų11267.5 Ų67.593%0.92640%0.403SS*.SBendtrans-75.8-26.7179.700000113.8G329G329-A331 PolarHBondContact O-N 2.92Å
332D63.5Low77.8Confident127 Ų12769 Ų6968%0.67942%0.416SS*.  trans-114.697.1173.5-1758000109.3G334D332-G334 PolarHBondContact O-N 2.54Å; D332-G334 PolarHBondContact OD1-N 3.44Å; D332-G334 VanDerWaalsContact OD1-N 3.15Å
333R68.1Low78.2Confident156 Ų15669.3 Ų69.359%0.58942%0.417SS*.  trans-83.416.2-179.4-60-175.4-178.7-173.1-2.3113.1A337R333-A337 HydrophobicContact CB-CB 3.28Å; R333-A337 HydrophobicContact CG-CB 4.43Å; R333-A337 VanDerWaalsContact O-CB 3.25Å; R333-A337 WeakPolarHBondContact O-CB 3.37Å
334G82.6Confident78.8Confident18 Ų1870.7 Ų70.719%0.18643%0.429CS..THydrogen-bonded Turntrans72.9-169178.900000114.3D332D332-G334 PolarHBondContact O-N 2.54Å; D332-G334 PolarHBondContact OD1-N 3.44Å; D332-G334 VanDerWaalsContact OD1-N 3.15Å
335L85.9Confident79.2Confident20 Ų2078.4 Ų78.411%0.10546%0.458CS..THydrogen-bonded Turntrans-73-35.6176.4-64.3164.8000111.8A337 K338 F343 P354 V409 D410 S413L335-A337 PolarHBondContact O-N 2.93Å; L335-K338 HydrophobicContact CD2-CD 4.27Å; L335-K338 WeakPolarHBondContact O-CB 3.29Å; L335-K338 PolarHBondContact O-N 3.14Å; L335-F343 HydrophobicContact CB-CD2 4.21Å; L335-F343 HydrophobicContact CB-CE2 4.37Å; L335-P354 HydrophobicContact CD1-CB 3.67Å; L335-P354 HydrophobicContact CD1-CG 4.28Å; L335-P354 HydrophobicContact CD2-CB 4.22Å; L335-P354 HydrophobicContact CD2-CG 3.9Å; L335-V409 HydrophobicContact CB-CG1 4.13Å; L335-V409 HydrophobicContact CD1-CG1 4.26Å; L335-D410 WeakPolarHBondContact CA-OD1 2.95Å; L335-D410 VanDerWaalsContact CB-OD1 3.24Å; L335-D410 WeakPolarHBondContact CB-OD1 3.42Å; L335-D410 PolarHBondContact N-OD1 2.77Å; L335-S413 WeakPolarHBondContact CD1-OG 3.28Å
336V88.4Confident79.9Confident65 Ų6578 Ų7839%0.39446%0.46SS..THydrogen-bonded Turntrans-61-34.9-177.3172.70000111.8K338 V406 V409 D410V336-K338 VanDerWaalsContact C-N 3.26Å; V336-K338 PolarHBondContact O-N 2.98Å; V336-V406 HydrophobicContact CB-CG1 4.26Å; V336-V406 HydrophobicContact CG1-CG1 3.35Å; V336-V406 HydrophobicContact CG2-CG1 3.84Å; V336-V406 WeakPolarHBondContact CG2-O 3.19Å; V336-V409 HydrophobicContact CG2-CB 3.87Å; V336-V409 HydrophobicContact CG2-CG1 4.26Å; V336-V409 HydrophobicContact CG2-CG2 4.44Å; V336-D410 VanDerWaalsContact CG2-OD2 3.3Å; V336-D410 WeakPolarHBondContact CG2-OD2 3.46Å
337A87.1Confident81.1Confident58 Ų5879.2 Ų79.248%0.47947%0.467SS..THydrogen-bonded Turntrans-77.3-8.6178.400000114.2R333 L335R333-A337 HydrophobicContact CB-CB 3.28Å; R333-A337 HydrophobicContact CG-CB 4.43Å; R333-A337 VanDerWaalsContact O-CB 3.25Å; R333-A337 WeakPolarHBondContact O-CB 3.37Å; L335-A337 PolarHBondContact O-N 2.93Å
338K88.1Confident82.2Confident95 Ų9577.6 Ų77.641%0.41348%0.479SS..SBendtrans-72.8143.7177.5-63.7-178.5-172.8-66.70109.7L335 V336 L340 A342L335-K338 HydrophobicContact CD2-CD 4.27Å; L335-K338 WeakPolarHBondContact O-CB 3.29Å; L335-K338 PolarHBondContact O-N 3.14Å; V336-K338 VanDerWaalsContact C-N 3.26Å; V336-K338 PolarHBondContact O-N 2.98Å; K338-L340 PolarHBondContact O-N 3.12Å; K338-A342 HydrophobicContact CB-CB 4.3Å
339P93.5Very high83.6Confident98 Ų9876.1 Ų76.164%0.63647%0.471SS*.  trans-53.5142.7168-24.733.5000110.8G341 A342 F343P339-G341 VanDerWaalsContact C-N 3.25Å; P339-G341 PolarHBondContact O-N 3.21Å; P339-G341 VanDerWaalsContact O-N 3.1Å; P339-A342 HydrophobicContact CB-CB 4.49Å; P339-A342 WeakPolarHBondContact O-CA 3.11Å; P339-A342 WeakPolarHBondContact O-CB 3.41Å; P339-A342 PolarHBondContact O-N 3.44Å; P339-F343 PolarHBondContact O-N 3.44Å
340L94.4Very high85.3Confident135 Ų13585.6 Ų85.671%0.70749%0.485SS*.Hα-helixtrans-50-44.2-175179.362.3000113K338 A342 F343 V344K338-L340 PolarHBondContact O-N 3.12Å; L340-A342 VanDerWaalsContact C-N 3.27Å; L340-A342 PolarHBondContact O-N 2.95Å; L340-F343 PolarHBondContact O-N 2.82Å; L340-V344 HydrophobicContact CD1-CG2 4.32Å; L340-V344 WeakPolarHBondContact O-CG2 3.3Å; L340-V344 PolarHBondContact O-N 3.38Å
341G94.6Very high86.5Confident34 Ų3484.1 Ų84.135%0.35149%0.486SS..Hα-helixtrans-63.4-30.6177.600000113.9P339 R345P339-G341 VanDerWaalsContact C-N 3.25Å; P339-G341 PolarHBondContact O-N 3.21Å; P339-G341 VanDerWaalsContact O-N 3.1Å; G341-R345 WeakPolarHBondContact O-CG 3.33Å; G341-R345 VanDerWaalsContact O-CZ 3.27Å; G341-R345 PolarHBondContact O-N 3.5Å; G341-R345 PolarHBondContact O-NE 3.27Å
342A92.8Very high87.7Confident32 Ų3282.1 Ų82.126%0.26447%0.469SS..Hα-helixtrans-75.4-39.7174.100000111.7K338 P339 L340 R345 A346K338-A342 HydrophobicContact CB-CB 4.3Å; P339-A342 HydrophobicContact CB-CB 4.49Å; P339-A342 WeakPolarHBondContact O-CA 3.11Å; P339-A342 WeakPolarHBondContact O-CB 3.41Å; P339-A342 PolarHBondContact O-N 3.44Å; L340-A342 VanDerWaalsContact C-N 3.27Å; L340-A342 PolarHBondContact O-N 2.95Å; A342-R345 PolarHBondContact O-N 3Å; A342-A346 WeakPolarHBondContact O-CB 3.14Å; A342-A346 PolarHBondContact O-N 3.15Å
343F94.1Very high88.5Confident24 Ų2477.5 Ų77.511%0.10545%0.449CS..Hα-helixtrans-58.2-49.7172.5173.2-102.7000111.4L335 P339 L340 R345 A346 V347 A362 V409L335-F343 HydrophobicContact CB-CD2 4.21Å; L335-F343 HydrophobicContact CB-CE2 4.37Å; P339-F343 PolarHBondContact O-N 3.44Å; L340-F343 PolarHBondContact O-N 2.82Å; F343-R345 PolarHBondContact O-N 3.11Å; F343-A346 WeakPolarHBondContact O-CB 3.36Å; F343-A346 PolarHBondContact O-N 3.23Å; F343-A346 VanDerWaalsContact O-N 3.1Å; F343-V347 HydrophobicContact CE1-CG2 4.15Å; F343-V347 HydrophobicContact CE2-CG2 4.17Å; F343-V347 HydrophobicContact CZ-CG2 3.94Å; F343-V347 WeakPolarHBondContact O-CG2 3.46Å; F343-V347 PolarHBondContact O-N 3.32Å; F343-A362 HydrophobicContact CE1-CB 4.19Å; F343-A362 HydrophobicContact CZ-CB 4.14Å; F343-V409 HydrophobicContact CE2-CG1 3.85Å; F343-V409 HydrophobicContact CZ-CG1 4.3Å
344V95.3Very high89.4Confident88 Ų8870.7 Ų70.753%0.53343%0.425SS..Hα-helixtrans-60.1-43.9179.1172.90000111.8L340 A346 V347 G348L340-V344 HydrophobicContact CD1-CG2 4.32Å; L340-V344 WeakPolarHBondContact O-CG2 3.3Å; L340-V344 PolarHBondContact O-N 3.38Å; V344-A346 VanDerWaalsContact C-N 3.33Å; V344-A346 PolarHBondContact O-N 3.31Å; V344-V347 PolarHBondContact O-N 2.97Å; V344-G348 PolarHBondContact O-N 3.03Å
345R94.9Very high89.7Confident181 Ų18170.9 Ų70.968%0.68343%0.427SS*.Hα-helixtrans-66.7-33.1176-76.4-172.7-67.4-92.72.6112.9G341 A342 F343 G348 G349G341-R345 WeakPolarHBondContact O-CG 3.33Å; G341-R345 VanDerWaalsContact O-CZ 3.27Å; G341-R345 PolarHBondContact O-N 3.5Å; G341-R345 PolarHBondContact O-NE 3.27Å; A342-R345 PolarHBondContact O-N 3Å; F343-R345 PolarHBondContact O-N 3.11Å; R345-G348 CarbonylContact O-C 3.35Å; R345-G348 PolarHBondContact O-N 3.11Å; R345-G349 PolarHBondContact O-N 3.12Å; R345-G349 VanDerWaalsContact O-N 3.09Å
346A91.9Very high90Very high29 Ų2972 Ų7224%0.2444%0.443CS..Hα-helixtrans-65.8-43.3175.400000111.2A342 F343 V344 G348 G349 P354A342-A346 WeakPolarHBondContact O-CB 3.14Å; A342-A346 PolarHBondContact O-N 3.15Å; F343-A346 WeakPolarHBondContact O-CB 3.36Å; F343-A346 PolarHBondContact O-N 3.23Å; F343-A346 VanDerWaalsContact O-N 3.1Å; V344-A346 VanDerWaalsContact C-N 3.33Å; V344-A346 PolarHBondContact O-N 3.31Å; A346-G348 VanDerWaalsContact C-N 3.34Å; A346-G348 PolarHBondContact O-N 3.07Å; A346-G349 PolarHBondContact O-N 2.98Å; A346-G349 VanDerWaalsContact O-N 3.09Å; A346-P354 HydrophobicContact CB-CG 4.04Å
347V93.4Very high90.2Very high49 Ų4969 Ų6930%0.29743%0.426SS..Hα-helixtrans-61.1-41.3174.2172.30000111.7F343 V344 G349 P354 V359F343-V347 HydrophobicContact CE1-CG2 4.15Å; F343-V347 HydrophobicContact CE2-CG2 4.17Å; F343-V347 HydrophobicContact CZ-CG2 3.94Å; F343-V347 WeakPolarHBondContact O-CG2 3.46Å; F343-V347 PolarHBondContact O-N 3.32Å; V344-V347 PolarHBondContact O-N 2.97Å; V347-G349 PolarHBondContact O-N 3.08Å; V347-P354 HydrophobicContact CG2-CB 4.16Å; V347-P354 HydrophobicContact CG2-CG 3.83Å; V347-V359 HydrophobicContact CB-CG2 4.42Å; V347-V359 HydrophobicContact CG1-CG2 3.66Å; V347-V359 HydrophobicContact CG2-CG2 3.84Å
348G93.4Very high90.6Very high73 Ų7366.3 Ų66.375%0.75340%0.403SS*.THydrogen-bonded Turntrans-77.71.1175.600000114.9V344 R345 A346V344-G348 PolarHBondContact O-N 3.03Å; R345-G348 CarbonylContact O-C 3.35Å; R345-G348 PolarHBondContact O-N 3.11Å; A346-G348 VanDerWaalsContact C-N 3.34Å; A346-G348 PolarHBondContact O-N 3.07Å
349G90.7Very high91Very high37 Ų3764.1 Ų64.138%0.38140%0.398SS..SBendtrans-78.3166.5-176.600000113.1R345 A346 V347 S351R345-G349 PolarHBondContact O-N 3.12Å; R345-G349 VanDerWaalsContact O-N 3.09Å; A346-G349 PolarHBondContact O-N 2.98Å; A346-G349 VanDerWaalsContact O-N 3.09Å; V347-G349 PolarHBondContact O-N 3.08Å; G349-S351 PolarHBondContact O-N 3.42Å
350R90.2Very high91.2Very high267 Ų26759.9 Ų59.9100%1.00837%0.371SS*.SBendtrans-80.564.7172.1-167.3-178.2178.9-176.6-0.2110.5
351S82.3Confident91.4Very high68 Ų6853.5 Ų53.548%0.47634%0.338SS..SBendtrans-134.3160.1175.463.50000111.1G349 A353G349-S351 PolarHBondContact O-N 3.42Å; S351-A353 WeakPolarHBondContact CB-O 3.44Å; S351-A353 PolarHBondContact OG-O 3.11Å
352A76Confident91.5Very high70 Ų7053 Ų5358%0.57933%0.33SS*.SBendtrans-82.9-17.9176.400000112.9F416A352-F416 HydrophobicContact CB-CE1 3.62Å; A352-F416 HydrophobicContact CB-CZ 3.95Å
353A80.2Confident91.8Very high30 Ų3053.4 Ų53.425%0.24833%0.329CS..SBendtrans-145.8149.4172.700000109.4S351 F416S351-A353 WeakPolarHBondContact CB-O 3.44Å; S351-A353 PolarHBondContact OG-O 3.11Å; A353-F416 HydrophobicContact CB-CD1 4Å
354P86.9Confident92Very high13 Ų1352.2 Ų52.28%0.08432%0.324CS..SBendcis-67.6149.3-428.7-34.7000113.2L335 A346 V347L335-P354 HydrophobicContact CD1-CB 3.67Å; L335-P354 HydrophobicContact CD1-CG 4.28Å; L335-P354 HydrophobicContact CD2-CB 4.22Å; L335-P354 HydrophobicContact CD2-CG 3.9Å; A346-P354 HydrophobicContact CB-CG 4.04Å; V347-P354 HydrophobicContact CG2-CB 4.16Å; V347-P354 HydrophobicContact CG2-CG 3.83Å
355G89.1Confident92.1Very high23 Ų2348.3 Ų48.324%0.23730%0.301CS..  trans-133.5-155.6-174.500000114.1G357 S358 V359G355-G357 VanDerWaalsContact C-N 3.34Å; G355-G357 PolarHBondContact O-N 3.08Å; G355-S358 PolarHBondContact O-N 2.88Å; G355-V359 WeakPolarHBondContact O-CG2 3.36Å; G355-V359 PolarHBondContact O-N 3.24Å; G355-V359 VanDerWaalsContact O-N 3.08Å
356G92.6Very high92.3Very high42 Ų4244.3 Ų44.343%0.43329%0.292SS..Hα-helixtrans-59.4-37.7-17500000114.3V359 S360G356-V359 PolarHBondContact O-N 2.85Å; G356-S360 WeakPolarHBondContact O-CB 3.36Å; G356-S360 PolarHBondContact O-N 3.02Å; G356-S360 PolarHBondContact O-OG 3.48Å
357G93.6Very high92.6Very high4 Ų443 Ų434%0.04128%0.281CS..Hα-helixtrans-64.2-48.5177.300000112.3G355 V359 S360 A361 D412 N497G355-G357 VanDerWaalsContact C-N 3.34Å; G355-G357 PolarHBondContact O-N 3.08Å; G357-V359 VanDerWaalsContact C-N 3.31Å; G357-V359 PolarHBondContact O-N 3.18Å; G357-S360 WeakPolarHBondContact O-CB 3.49Å; G357-S360 PolarHBondContact O-N 3.45Å; G357-A361 PolarHBondContact O-N 3.19Å; G357-D412 WeakPolarHBondContact CA-OD1 3.3Å; G357-N497 PolarHBondContact N-ND2 2.97Å; G357-N497 PolarHBondContact N-OD1 2.95Å
358S94.6Very high92.9Very high0 Ų040.6 Ų40.60%027%0.267CS..Hα-helixtrans-58.3-41.1176-590000112G355 A361 A362 V409 D412 S413G355-S358 PolarHBondContact O-N 2.88Å; S358-A361 PolarHBondContact O-N 3.03Å; S358-A362 PolarHBondContact O-N 3.18Å; S358-V409 PolarHBondContact OG-O 3.22Å; S358-D412 VanDerWaalsContact N-CG 3.31Å; S358-D412 PolarHBondContact N-OD2 3.11Å; S358-D412 PolarHBondContact OG-OD2 2.9Å; S358-S413 PolarHBondContact OG-OG 2.86Å
359V96.6Very high93.1Very high49 Ų4938.4 Ų38.430%0.29724%0.242SC..Hα-helixtrans-68.1-38.9174.5175.50000111.7V347 G355 G356 G357 A361 A362 V363V347-V359 HydrophobicContact CB-CG2 4.42Å; V347-V359 HydrophobicContact CG1-CG2 3.66Å; V347-V359 HydrophobicContact CG2-CG2 3.84Å; G355-V359 WeakPolarHBondContact O-CG2 3.36Å; G355-V359 PolarHBondContact O-N 3.24Å; G355-V359 VanDerWaalsContact O-N 3.08Å; G356-V359 PolarHBondContact O-N 2.85Å; G357-V359 VanDerWaalsContact C-N 3.31Å; G357-V359 PolarHBondContact O-N 3.18Å; V359-A361 VanDerWaalsContact C-N 3.31Å; V359-A361 PolarHBondContact O-N 3.06Å; V359-A362 PolarHBondContact O-N 2.87Å; V359-V363 HydrophobicContact CG1-CG2 4.15Å; V359-V363 WeakPolarHBondContact O-CB 3.26Å; V359-V363 WeakPolarHBondContact O-CG2 3.45Å; V359-V363 PolarHBondContact O-N 2.86Å
360S98.1Very high93.5Very high10 Ų1038.3 Ų38.37%0.0723%0.232CC..Hα-helixtrans-60.2-43.5176.6-54.30000110.9G356 G357 V363 S364 G493G356-S360 WeakPolarHBondContact O-CB 3.36Å; G356-S360 PolarHBondContact O-N 3.02Å; G356-S360 PolarHBondContact O-OG 3.48Å; G357-S360 WeakPolarHBondContact O-CB 3.49Å; G357-S360 PolarHBondContact O-N 3.45Å; S360-V363 PolarHBondContact O-N 2.84Å; S360-S364 WeakPolarHBondContact O-CB 3.34Å; S360-S364 PolarHBondContact O-N 3.44Å; S360-S364 PolarHBondContact O-OG 2.81Å; S360-G493 VanDerWaalsContact OG-CA 3.24Å; S360-G493 WeakPolarHBondContact OG-CA 3.24Å
361A97.6Very high93.9Very high1 Ų125.6 Ų25.61%0.00818%0.184CC..Hα-helixtrans-61.7-48174.900000111.9G357 S358 V359 V363 S364 A365 M408 V409 L454G357-A361 PolarHBondContact O-N 3.19Å; S358-A361 PolarHBondContact O-N 3.03Å; V359-A361 VanDerWaalsContact C-N 3.31Å; V359-A361 PolarHBondContact O-N 3.06Å; A361-V363 PolarHBondContact O-N 2.75Å; A361-S364 PolarHBondContact O-N 3.08Å; A361-A365 WeakPolarHBondContact O-CB 3.24Å; A361-A365 PolarHBondContact O-N 3.25Å; A361-M408 HydrophobicContact CB-CB 3.94Å; A361-V409 HydrophobicContact CB-CG2 3.81Å; A361-L454 VanDerWaalsContact CA-CD1 3.42Å; A361-L454 HydrophobicContact CB-CD1 3.76Å
362A97.8Very high94.6Very high23 Ų2322.8 Ų22.819%0.1916%0.164CC..Hα-helixtrans-61.3-43.3178.900000112.6F343 S358 V359 A365 L366 V409F343-A362 HydrophobicContact CE1-CB 4.19Å; F343-A362 HydrophobicContact CZ-CB 4.14Å; S358-A362 PolarHBondContact O-N 3.18Å; V359-A362 PolarHBondContact O-N 2.87Å; A362-A365 PolarHBondContact O-N 2.97Å; A362-L366 WeakPolarHBondContact O-CG 3.35Å; A362-L366 PolarHBondContact O-N 3.46Å; A362-V409 HydrophobicContact CB-CG2 4.05Å
363V98.1Very high95.7Very high40 Ų4023.2 Ų23.224%0.24216%0.156CC..Hα-helixtrans-68.1-41.9178.3172.90000111.1V359 S360 A361 A365 L366 G367 M486 A489V359-V363 HydrophobicContact CG1-CG2 4.15Å; V359-V363 WeakPolarHBondContact O-CB 3.26Å; V359-V363 WeakPolarHBondContact O-CG2 3.45Å; V359-V363 PolarHBondContact O-N 2.86Å; S360-V363 PolarHBondContact O-N 2.84Å; A361-V363 PolarHBondContact O-N 2.75Å; V363-A365 VanDerWaalsContact C-N 3.33Å; V363-A365 PolarHBondContact O-N 3.38Å; V363-L366 PolarHBondContact O-N 2.74Å; V363-G367 PolarHBondContact O-N 3.1Å; V363-M486 HydrophobicContact CG1-CB 3.73Å; V363-M486 HydrophobicContact CG1-CG 3.88Å; V363-A489 HydrophobicContact CG1-CB 4.47Å
364S98.6Very high96.5Very high0 Ų021.8 Ų21.80%014%0.144CC..Hα-helixtrans-61.2-41.4173.7-70.30000112.3S360 A361 G367 A368 L487 G490S360-S364 WeakPolarHBondContact O-CB 3.34Å; S360-S364 PolarHBondContact O-N 3.44Å; S360-S364 PolarHBondContact O-OG 2.81Å; A361-S364 PolarHBondContact O-N 3.08Å; S364-G367 PolarHBondContact O-N 2.7Å; S364-G367 VanDerWaalsContact O-N 3.17Å; S364-A368 PolarHBondContact O-N 2.94Å; S364-L487 WeakPolarHBondContact O-CD2 3.38Å; S364-G490 WeakPolarHBondContact OG-CA 3.39Å
365A98.3Very high97Very high6 Ų621.2 Ų21.25%0.0514%0.14CC..Hα-helixtrans-60.3-45.1176.400000111.6A361 A362 V363 G367 A368 A369 L405 V406A361-A365 WeakPolarHBondContact O-CB 3.24Å; A361-A365 PolarHBondContact O-N 3.25Å; A362-A365 PolarHBondContact O-N 2.97Å; V363-A365 VanDerWaalsContact C-N 3.33Å; V363-A365 PolarHBondContact O-N 3.38Å; A365-G367 VanDerWaalsContact C-N 3.32Å; A365-G367 PolarHBondContact O-N 3.25Å; A365-A368 PolarHBondContact O-N 3.44Å; A365-A369 WeakPolarHBondContact O-CB 3.37Å; A365-A369 PolarHBondContact O-N 3.05Å; A365-L405 HydrophobicContact CB-CB 3.8Å; A365-V406 HydrophobicContact CB-CG2 3.74Å
366L98.5Very high97.4Very high97 Ų9723.2 Ų23.251%0.50815%0.145SC..Hα-helixtrans-62.6-38.1173.8-69.6172.5000112.2A362 V363 A369 L370 M486A362-L366 WeakPolarHBondContact O-CG 3.35Å; A362-L366 PolarHBondContact O-N 3.46Å; V363-L366 PolarHBondContact O-N 2.74Å; L366-A369 WeakPolarHBondContact O-CB 3.35Å; L366-A369 PolarHBondContact O-N 2.87Å; L366-L370 WeakPolarHBondContact O-CG 3.37Å; L366-L370 PolarHBondContact O-N 3.27Å; L366-M486 HydrophobicContact CB-SD 3.8Å
367G98.6Very high97.6Very high0 Ų024.4 Ų24.40%014%0.14CC..Hα-helixtrans-62.2-44.5174.900000112.9V363 S364 A365 L370 G371V363-G367 PolarHBondContact O-N 3.1Å; S364-G367 PolarHBondContact O-N 2.7Å; S364-G367 VanDerWaalsContact O-N 3.17Å; A365-G367 VanDerWaalsContact C-N 3.32Å; A365-G367 PolarHBondContact O-N 3.25Å; G367-L370 PolarHBondContact O-N 3.34Å; G367-G371 PolarHBondContact O-N 3.48Å; G367-G371 VanDerWaalsContact O-N 3.14Å
368A98.6Very high97.7Very high0 Ų024.2 Ų24.20%014%0.138CC..Hα-helixtrans-65.3-41.8174.100000111.5S364 A365 L370 G371 C372 F398 A401 M402 L405 L461 L487S364-A368 PolarHBondContact O-N 2.94Å; A365-A368 PolarHBondContact O-N 3.44Å; A368-L370 VanDerWaalsContact C-N 3.32Å; A368-L370 PolarHBondContact O-N 3.07Å; A368-G371 WeakPolarHBondContact O-CA 3.37Å; A368-G371 PolarHBondContact O-N 3.14Å; A368-G371 VanDerWaalsContact O-N 3.1Å; A368-C372 PolarHBondContact O-N 2.85Å; A368-F398 WeakPolarHBondContact O-CB 3.44Å; A368-A401 HydrophobicContact CB-CB 4.37Å; A368-M402 HydrophobicContact CB-CB 4.13Å; A368-L405 HydrophobicContact CB-CD1 4.15Å; A368-L461 HydrophobicContact CB-CD1 4.1Å; A368-L487 HydrophobicContact CB-CD2 4.43Å
369A98.4Very high97.8Very high27 Ų2726.7 Ų26.722%0.22315%0.148CC..Hα-helixtrans-57.7-42.9175.900000112.2A365 L366 C372 M373 M402A365-A369 WeakPolarHBondContact O-CB 3.37Å; A365-A369 PolarHBondContact O-N 3.05Å; L366-A369 WeakPolarHBondContact O-CB 3.35Å; L366-A369 PolarHBondContact O-N 2.87Å; A369-C372 WeakPolarHBondContact O-CB 3.42Å; A369-C372 PolarHBondContact O-N 2.93Å; A369-M373 WeakPolarHBondContact O-CB 3.31Å; A369-M373 PolarHBondContact O-N 3.12Å; A369-M402 HydrophobicContact CB-CG 4Å; A369-M402 HydrophobicContact CB-SD 3.44Å; A369-M402 WeakPolarHBondContact CB-SD 3.23Å
370L98.6Very high97.6Very high34 Ų3427.5 Ų27.518%0.17817%0.166CC..Hα-helixtrans-64.2-41.2174.7-72.8169.7000111.7L366 G367 A368 C372 M373 V374 D479 V482 M486L366-L370 WeakPolarHBondContact O-CG 3.37Å; L366-L370 PolarHBondContact O-N 3.27Å; G367-L370 PolarHBondContact O-N 3.34Å; A368-L370 VanDerWaalsContact C-N 3.32Å; A368-L370 PolarHBondContact O-N 3.07Å; L370-C372 VanDerWaalsContact C-N 3.34Å; L370-C372 PolarHBondContact O-N 3.32Å; L370-M373 HydrophobicContact CD2-SD 4.46Å; L370-M373 PolarHBondContact O-N 3.23Å; L370-V374 WeakPolarHBondContact O-CB 3.48Å; L370-V374 WeakPolarHBondContact O-CG2 3.36Å; L370-V374 PolarHBondContact O-N 2.92Å; L370-D479 HydrophobicContact CD2-CB 4.18Å; L370-V482 HydrophobicContact CD1-CB 4.15Å; L370-V482 HydrophobicContact CD1-CG1 3.78Å; L370-M486 HydrophobicContact CD1-SD 4.06Å
371G97.9Very high97.4Very high1 Ų131.7 Ų31.71%0.0118%0.183CC..Hα-helixtrans-58.2-44.3172.600000112.8G367 A368 G375G367-G371 PolarHBondContact O-N 3.48Å; G367-G371 VanDerWaalsContact O-N 3.14Å; A368-G371 WeakPolarHBondContact O-CA 3.37Å; A368-G371 PolarHBondContact O-N 3.14Å; A368-G371 VanDerWaalsContact O-N 3.1Å; G371-G375 PolarHBondContact O-N 2.87Å
372C98.1Very high97.2Very high8 Ų842.3 Ų42.35%0.05422%0.223CC..Hα-helixtrans-63-51.7175.8-176.30000111.6A368 A369 L370 V374 G375 L376 F398A368-C372 PolarHBondContact O-N 2.85Å; A369-C372 WeakPolarHBondContact O-CB 3.42Å; A369-C372 PolarHBondContact O-N 2.93Å; L370-C372 VanDerWaalsContact C-N 3.34Å; L370-C372 PolarHBondContact O-N 3.32Å; C372-V374 VanDerWaalsContact C-N 3.31Å; C372-V374 PolarHBondContact O-N 2.9Å; C372-G375 PolarHBondContact O-N 3.29Å; C372-G375 VanDerWaalsContact O-N 3.16Å; C372-L376 WeakPolarHBondContact O-CG 3.28Å; C372-L376 PolarHBondContact O-N 3.14Å; C372-F398 HydrophobicContact CB-CB 3.76Å
373M97.9Very high97Very high80 Ų8048 Ų4839%0.39425%0.245SC..Hα-helixtrans-54.8-46.4178.3178-164.9165.900111.2A369 L370 G375 L376 M377A369-M373 WeakPolarHBondContact O-CB 3.31Å; A369-M373 PolarHBondContact O-N 3.12Å; L370-M373 HydrophobicContact CD2-SD 4.46Å; L370-M373 PolarHBondContact O-N 3.23Å; M373-G375 VanDerWaalsContact C-N 3.33Å; M373-G375 PolarHBondContact O-N 3.48Å; M373-L376 PolarHBondContact O-N 3.29Å; M373-M377 HydrophobicContact CE-CG 4.25Å; M373-M377 HydrophobicContact CG-CG 4.19Å; M373-M377 WeakPolarHBondContact O-CB 3.42Å; M373-M377 VanDerWaalsContact O-CG 3.23Å; M373-M377 WeakPolarHBondContact O-CG 3.4Å; M373-M377 PolarHBondContact O-N 2.92Å
374V97.8Very high96.9Very high0 Ų047.4 Ų47.40%024%0.24CC..Hα-helixtrans-62.5-41.1-179.2169.30000111.6L370 C372 M377 S378 M468 C472 C476 D479 I480L370-V374 WeakPolarHBondContact O-CB 3.48Å; L370-V374 WeakPolarHBondContact O-CG2 3.36Å; L370-V374 PolarHBondContact O-N 2.92Å; C372-V374 VanDerWaalsContact C-N 3.31Å; C372-V374 PolarHBondContact O-N 2.9Å; V374-M377 PolarHBondContact O-N 3.28Å; V374-S378 PolarHBondContact O-N 2.9Å; V374-S378 PolarHBondContact O-OG 3.21Å; V374-M468 HydrophobicContact CG1-CG 4.26Å; V374-C472 HydrophobicContact CG1-CB 3.35Å; V374-C476 HydrophobicContact CG1-CB 4.38Å; V374-C476 HydrophobicContact CG2-CB 3.92Å; V374-D479 HydrophobicContact CG2-CB 3.79Å; V374-I480 HydrophobicContact CG1-CB 4.31Å; V374-I480 HydrophobicContact CG1-CD1 4.35Å; V374-I480 HydrophobicContact CG2-CB 4.09Å
375G97.4Very high96.7Very high0 Ų054 Ų540%027%0.271CS..Hα-helixtrans-62.7-45.6172.900000112.1G371 C372 M373 M377 S378 Y379 M468G371-G375 PolarHBondContact O-N 2.87Å; C372-G375 PolarHBondContact O-N 3.29Å; C372-G375 VanDerWaalsContact O-N 3.16Å; M373-G375 VanDerWaalsContact C-N 3.33Å; M373-G375 PolarHBondContact O-N 3.48Å; G375-M377 VanDerWaalsContact C-N 3.34Å; G375-M377 PolarHBondContact O-N 3.5Å; G375-S378 CarbonylContact O-C 3.6Å; G375-S378 WeakPolarHBondContact O-CA 3.45Å; G375-S378 WeakPolarHBondContact O-CB 3.49Å; G375-S378 PolarHBondContact O-N 2.85Å; G375-Y379 WeakPolarHBondContact O-CB 3.33Å; G375-Y379 PolarHBondContact O-N 2.95Å; G375-Y379 VanDerWaalsContact O-N 3.12Å; G375-M468 VanDerWaalsContact CA-SD 3.59Å
376L97.1Very high96.6Very high66 Ų6663.1 Ų63.135%0.34631%0.312SS..Hα-helixtrans-62.6-38.1176.7-72.5168.8000112.8L294 C372 M373 S378 Y379 I395L294-L376 HydrophobicContact CD1-CD2 3.9Å; C372-L376 WeakPolarHBondContact O-CG 3.28Å; C372-L376 PolarHBondContact O-N 3.14Å; M373-L376 PolarHBondContact O-N 3.29Å; L376-S378 PolarHBondContact O-N 3.47Å; L376-Y379 PolarHBondContact O-N 3.47Å; L376-Y379 VanDerWaalsContact O-N 3.08Å; L376-I395 HydrophobicContact CD2-CD1 4.08Å; L376-I395 HydrophobicContact CD2-CG2 4.34Å; L376-I395 HydrophobicContact CG-CD1 4.31Å; L376-I395 HydrophobicContact CG-CG2 4.21Å
377M97Very high96.5Very high67 Ų6760.2 Ų60.233%0.3330%0.297SS..THydrogen-bonded Turntrans-67.5-13.3174.3-70.7-60.7-73.700113.2M373 V374 G375 F384M373-M377 HydrophobicContact CE-CG 4.25Å; M373-M377 HydrophobicContact CG-CG 4.19Å; M373-M377 WeakPolarHBondContact O-CB 3.42Å; M373-M377 VanDerWaalsContact O-CG 3.23Å; M373-M377 WeakPolarHBondContact O-CG 3.4Å; M373-M377 PolarHBondContact O-N 2.92Å; V374-M377 PolarHBondContact O-N 3.28Å; G375-M377 VanDerWaalsContact C-N 3.34Å; G375-M377 PolarHBondContact O-N 3.5Å; M377-F384 WeakPolarHBondContact O-CE2 3.44Å
378S95.9Very high96.3Very high0 Ų062.4 Ų62.40%031%0.309CS..THydrogen-bonded Turntrans-107.56.1176.4-46.30000112.5V374 G375 L376 F384 C472 N473V374-S378 PolarHBondContact O-N 2.9Å; V374-S378 PolarHBondContact O-OG 3.21Å; G375-S378 CarbonylContact O-C 3.6Å; G375-S378 WeakPolarHBondContact O-CA 3.45Å; G375-S378 WeakPolarHBondContact O-CB 3.49Å; G375-S378 PolarHBondContact O-N 2.85Å; L376-S378 PolarHBondContact O-N 3.47Å; S378-F384 WeakPolarHBondContact O-CB 3.23Å; S378-C472 WeakPolarHBondContact OG-CA 3.43Å; S378-N473 PolarHBondContact OG-N 3.23Å
379Y96.5Very high96.2Very high52 Ų5266.1 Ų66.120%0.20434%0.339CS..SBendtrans-118.5152.1-176.4171.1-98.3000111.4F292 G375 L376 K381 D388 M391 R392 I395F292-Y379 HydrophobicContact CD1-CD1 4.44Å; F292-Y379 AromaticContact CD1-CE1 3.71Å; F292-Y379 HydrophobicContact CD1-CE1 3.71Å; F292-Y379 AromaticContact CD1-CE2 3.83Å; F292-Y379 HydrophobicContact CD1-CE2 3.83Å; F292-Y379 AromaticContact CD1-CZ 3.36Å; F292-Y379 WeakPolarHBondContact CD1-OH 3.22Å; F292-Y379 HydrophobicContact CE1-CD1 4.25Å; F292-Y379 HydrophobicContact CE1-CD2 4.47Å; F292-Y379 AromaticContact CE1-CE1 3.96Å; F292-Y379 HydrophobicContact CE1-CE1 3.96Å; F292-Y379 HydrophobicContact CE1-CE2 4.17Å; F292-Y379 AromaticContact CE1-CZ 3.93Å; F292-Y379 HydrophobicContact CG-CE2 4.47Å; G375-Y379 WeakPolarHBondContact O-CB 3.33Å; G375-Y379 PolarHBondContact O-N 2.95Å; G375-Y379 VanDerWaalsContact O-N 3.12Å; L376-Y379 PolarHBondContact O-N 3.47Å; L376-Y379 VanDerWaalsContact O-N 3.08Å; Y379-K381 PolarHBondContact O-N 2.82Å; Y379-D388 WeakPolarHBondContact CE2-OD1 3.5Å; Y379-M391 HydrophobicContact CD2-CB 4.11Å; Y379-R392 HydrophobicContact CE2-CG 3.97Å; Y379-I395 HydrophobicContact CG-CD1 4.25Å
380G93.3Very high96.1Very high66 Ų6666.5 Ų66.568%0.6834%0.339SS*.SBendtrans72.6-7.7170.400000116.7
381K92.9Very high96.1Very high98 Ų9864.9 Ų64.943%0.42633%0.33SS..SBendtrans-93.9138.4173.4-64.5178-178.2172.30110.2Y379 Q383 F384Y379-K381 PolarHBondContact O-N 2.82Å; K381-Q383 HydrophobicContact CB-CG 4.26Å; K381-Q383 PolarHBondContact O-N 3.3Å; K381-Q383 VanDerWaalsContact O-N 3.07Å; K381-F384 HydrophobicContact CB-CD2 4.09Å; K381-F384 HydrophobicContact CD-CE2 4.44Å; K381-F384 PolarHBondContact O-N 3.04Å
382R93.9Very high96Very high223 Ų22368.5 Ų68.584%0.84234%0.343SS*.G310 helixtrans-50.2-37.5-179.4-175.4175.6176164.8-0.3114F384 E385R382-F384 PolarHBondContact O-N 2.99Å; R382-E385 WeakPolarHBondContact O-CB 3.36Å; R382-E385 PolarHBondContact O-N 3.41Å
383Q94.4Very high95.9Very high143 Ų14374.2 Ų74.267%0.66837%0.368SS*.G310 helixtrans-66.2-13.5178.770.4-174.729.600114.5K381K381-Q383 HydrophobicContact CB-CG 4.26Å; K381-Q383 PolarHBondContact O-N 3.3Å; K381-Q383 VanDerWaalsContact O-N 3.07Å
384F95.6Very high95.9Very high28 Ų2870.5 Ų70.512%0.12335%0.349CS..G310 helixtrans-118.818.1-179.9-55.9-52.7000112.6M377 S378 K381 R382 E386 L387 D388 N473M377-F384 WeakPolarHBondContact O-CE2 3.44Å; S378-F384 WeakPolarHBondContact O-CB 3.23Å; K381-F384 HydrophobicContact CB-CD2 4.09Å; K381-F384 HydrophobicContact CD-CE2 4.44Å; K381-F384 PolarHBondContact O-N 3.04Å; R382-F384 PolarHBondContact O-N 2.99Å; F384-E386 VanDerWaalsContact C-N 3.28Å; F384-E386 PolarHBondContact O-N 3.29Å; F384-L387 HydrophobicContact CD1-CD1 4.26Å; F384-L387 WeakPolarHBondContact O-CA 3.36Å; F384-L387 WeakPolarHBondContact O-CB 3.39Å; F384-L387 PolarHBondContact O-N 2.92Å; F384-D388 PolarHBondContact O-N 3.5Å; F384-N473 HydrophobicContact CE1-CB 4.37Å; F384-N473 HydrophobicContact CE2-CB 4.13Å; F384-N473 HydrophobicContact CZ-CB 3.63Å
385E94.6Very high96Very high139 Ų13970.5 Ų70.565%0.6535%0.349SS*.G310 helixtrans-57.5-39.2-176.5-175.4172-171.300112.8R382 L387 D388R382-E385 WeakPolarHBondContact O-CB 3.36Å; R382-E385 PolarHBondContact O-N 3.41Å; E385-L387 PolarHBondContact O-N 3.5Å; E385-L387 VanDerWaalsContact O-N 3.14Å; E385-D388 VanDerWaalsContact O-CB 3.28Å; E385-D388 WeakPolarHBondContact O-CB 3.26Å; E385-D388 PolarHBondContact O-N 3.01Å
386E95.8Very high95.9Very high196 Ų19672.6 Ų72.692%0.91636%0.363SS*.G310 helixtrans-62.7-20.1175.8-61.4-177.5174.400113.3F384F384-E386 VanDerWaalsContact C-N 3.28Å; F384-E386 PolarHBondContact O-N 3.29Å
387L95.8Very high96Very high36 Ų3671.8 Ų71.819%0.18836%0.361CS..G310 helixtrans-95.9-0.6179-57.9177.6000112.7F384 E385 A389 V390 M391 H471F384-L387 HydrophobicContact CD1-CD1 4.26Å; F384-L387 WeakPolarHBondContact O-CA 3.36Å; F384-L387 WeakPolarHBondContact O-CB 3.39Å; F384-L387 PolarHBondContact O-N 2.92Å; E385-L387 PolarHBondContact O-N 3.5Å; E385-L387 VanDerWaalsContact O-N 3.14Å; L387-A389 PolarHBondContact O-N 2.84Å; L387-V390 WeakPolarHBondContact O-CA 3.32Å; L387-V390 WeakPolarHBondContact O-CB 3.48Å; L387-V390 PolarHBondContact O-N 2.94Å; L387-M391 HydrophobicContact CB-CE 4.21Å; L387-M391 HydrophobicContact CB-CG 4.29Å; L387-M391 HydrophobicContact CD1-CE 4.22Å; L387-M391 WeakPolarHBondContact O-CG 3.26Å; L387-M391 PolarHBondContact O-N 2.93Å; L387-H471 HydrophobicContact CD1-CB 4.42Å; L387-H471 VanDerWaalsContact CD1-O 3.31Å; L387-H471 WeakPolarHBondContact CD1-O 3.39Å; L387-H471 HydrophobicContact CD2-CB 4.22Å
388D95.2Very high96Very high47 Ų4768.6 Ų68.625%0.25135%0.346SS..Hα-helixtrans-54-51.8-175.3-179.185000111.9Y379 F384 E385 V390 M391 R392Y379-D388 WeakPolarHBondContact CE2-OD1 3.5Å; F384-D388 PolarHBondContact O-N 3.5Å; E385-D388 VanDerWaalsContact O-CB 3.28Å; E385-D388 WeakPolarHBondContact O-CB 3.26Å; E385-D388 PolarHBondContact O-N 3.01Å; D388-V390 VanDerWaalsContact C-N 3.27Å; D388-V390 PolarHBondContact O-N 3.16Å; D388-M391 PolarHBondContact O-N 3.41Å; D388-R392 WeakPolarHBondContact O-CB 3.5Å; D388-R392 VanDerWaalsContact O-CG 3.29Å; D388-R392 WeakPolarHBondContact O-CG 3.21Å; D388-R392 PolarHBondContact O-N 3.34Å; D388-R392 IonicContact OD1-NE 2.93Å; D388-R392 PolarHBondContact OD1-NE 2.97Å; D388-R392 IonicContact OD1-NH2 3.83Å; D388-R392 WeakPolarHBondContact OD2-CD 3.42Å; D388-R392 IonicContact OD2-CZ 2.71Å; D388-R392 IonicContact OD2-NE 3.11Å; D388-R392 PolarHBondContact OD2-NE 3.47Å; D388-R392 IonicContact OD2-NH2 3.83Å
389A95.8Very high96.1Very high77 Ų7769.6 Ų69.664%0.63635%0.35SS*.Hα-helixtrans-61-36.2178.600000112.7L387 K393L387-A389 PolarHBondContact O-N 2.84Å; A389-K393 PolarHBondContact O-N 3.48Å
390V96.8Very high96Very high35 Ų3572.7 Ų72.721%0.21237%0.367CS..Hα-helixtrans-68.4-48.7177.2178.60000109.9L387 D388 R392 K393 L394 H471L387-V390 WeakPolarHBondContact O-CA 3.32Å; L387-V390 WeakPolarHBondContact O-CB 3.48Å; L387-V390 PolarHBondContact O-N 2.94Å; D388-V390 VanDerWaalsContact C-N 3.27Å; D388-V390 PolarHBondContact O-N 3.16Å; V390-R392 PolarHBondContact O-N 3.39Å; V390-K393 WeakPolarHBondContact O-CB 3.37Å; V390-K393 PolarHBondContact O-N 3.36Å; V390-K393 VanDerWaalsContact O-N 3.12Å; V390-L394 HydrophobicContact CG1-CD1 3.61Å; V390-L394 HydrophobicContact CG1-CG 4.15Å; V390-L394 WeakPolarHBondContact O-CG 3.38Å; V390-L394 PolarHBondContact O-N 3.14Å; V390-H471 HydrophobicContact CG1-CB 4.45Å
391M97.6Very high96.2Very high0 Ų069.9 Ų69.90%034%0.337CS..Hα-helixtrans-65.8-38.5-178.1-66.1-56.6145.800112.3Y379 L387 D388 K393 L394 I395 M468 H471Y379-M391 HydrophobicContact CD2-CB 4.11Å; L387-M391 HydrophobicContact CB-CE 4.21Å; L387-M391 HydrophobicContact CB-CG 4.29Å; L387-M391 HydrophobicContact CD1-CE 4.22Å; L387-M391 WeakPolarHBondContact O-CG 3.26Å; L387-M391 PolarHBondContact O-N 2.93Å; D388-M391 PolarHBondContact O-N 3.41Å; M391-K393 PolarHBondContact O-N 2.87Å; M391-L394 PolarHBondContact O-N 2.92Å; M391-L394 VanDerWaalsContact O-N 3.14Å; M391-I395 HydrophobicContact CB-CD1 3.92Å; M391-I395 WeakPolarHBondContact O-CB 3.33Å; M391-I395 WeakPolarHBondContact O-CD1 3.31Å; M391-I395 VanDerWaalsContact O-CG1 3.25Å; M391-I395 WeakPolarHBondContact O-CG1 3.34Å; M391-I395 PolarHBondContact O-N 3.29Å; M391-M468 HydrophobicContact CE-SD 4.23Å; M391-M468 HydrophobicContact SD-CE 4.43Å; M391-M468 HydrophobicContact SD-SD 3.75Å; M391-H471 HydrophobicContact CE-CB 3.65Å
392R96.6Very high96.3Very high77 Ų7767.4 Ų67.429%0.29133%0.327SS..Hα-helixtrans-58.7-29.8174.2-72.9-179.3-176.8-125.7-0.2113.2K290 F292 Y379 D388 V390 P396K290-R392 PolarHBondContact O-NH1 3.06Å; K290-R392 VanDerWaalsContact O-NH1 3.09Å; F292-R392 HydrophobicContact CB-CG 4.08Å; F292-R392 HydrophobicContact CD1-CG 4.37Å; F292-R392 HydrophobicContact CD2-CB 3.95Å; F292-R392 HydrophobicContact CD2-CG 3.71Å; F292-R392 HydrophobicContact CE2-CB 4.12Å; F292-R392 HydrophobicContact CE2-CG 4.17Å; F292-R392 HydrophobicContact CG-CG 3.81Å; Y379-R392 HydrophobicContact CE2-CG 3.97Å; D388-R392 WeakPolarHBondContact O-CB 3.5Å; D388-R392 VanDerWaalsContact O-CG 3.29Å; D388-R392 WeakPolarHBondContact O-CG 3.21Å; D388-R392 PolarHBondContact O-N 3.34Å; D388-R392 IonicContact OD1-NE 2.93Å; D388-R392 PolarHBondContact OD1-NE 2.97Å; D388-R392 IonicContact OD1-NH2 3.83Å; D388-R392 WeakPolarHBondContact OD2-CD 3.42Å; D388-R392 IonicContact OD2-CZ 2.71Å; D388-R392 IonicContact OD2-NE 3.11Å; D388-R392 PolarHBondContact OD2-NE 3.47Å; D388-R392 IonicContact OD2-NH2 3.83Å; V390-R392 PolarHBondContact O-N 3.39Å; R392-P396 WeakPolarHBondContact O-CD 3.47Å; R392-P396 VanDerWaalsContact O-CG 3.25Å; R392-P396 WeakPolarHBondContact O-CG 3.35Å
393K96.9Very high96.2Very high129 Ų12960.9 Ų60.956%0.56131%0.309SS*.Hα-helixtrans-82.1-40174.7-179.8-168167.5-1490112.1A389 V390 M391 P397 E467A389-K393 PolarHBondContact O-N 3.48Å; V390-K393 WeakPolarHBondContact O-CB 3.37Å; V390-K393 PolarHBondContact O-N 3.36Å; V390-K393 VanDerWaalsContact O-N 3.12Å; M391-K393 PolarHBondContact O-N 2.87Å; K393-P397 WeakPolarHBondContact O-CD 3.45Å; K393-E467 IonicContact NZ-OE1 2.77Å; K393-E467 PolarHBondContact NZ-OE1 2.98Å; K393-E467 IonicContact NZ-OE2 3.61Å; K393-E467 PolarHBondContact NZ-OE2 2.82Å
394L97.9Very high96.2Very high2 Ų257 Ų571%0.0129%0.291CS..Hα-helixtrans-85-29.1-170.2-65.7-177.1000114.6V390 M391 F398 A464 E467 M468V390-L394 HydrophobicContact CG1-CD1 3.61Å; V390-L394 HydrophobicContact CG1-CG 4.15Å; V390-L394 WeakPolarHBondContact O-CG 3.38Å; V390-L394 PolarHBondContact O-N 3.14Å; M391-L394 PolarHBondContact O-N 2.92Å; M391-L394 VanDerWaalsContact O-N 3.14Å; L394-F398 WeakPolarHBondContact O-CD2 3.39Å; L394-F398 WeakPolarHBondContact O-CE2 3.28Å; L394-A464 HydrophobicContact CD2-CB 4.11Å; L394-E467 HydrophobicContact CD1-CB 4.06Å; L394-E467 HydrophobicContact CD1-CG 3.99Å; L394-E467 HydrophobicContact CD2-CB 3.87Å; L394-E467 HydrophobicContact CD2-CG 4.06Å; L394-M468 HydrophobicContact CB-CE 3.54Å; L394-M468 HydrophobicContact CB-SD 4.39Å; L394-M468 HydrophobicContact CD1-CB 4.27Å; L394-M468 HydrophobicContact CD1-CE 4.41Å; L394-M468 HydrophobicContact CD1-SD 4.25Å
395I98.2Very high96.3Very high0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-70.7-48.5-178-65.2160.3000113.1F292 L294 L376 Y379 M391 P397 F398 H399 M468F292-I395 HydrophobicContact CE1-CD1 4.15Å; F292-I395 HydrophobicContact CZ-CB 4Å; F292-I395 HydrophobicContact CZ-CD1 3.94Å; F292-I395 HydrophobicContact CZ-CG2 4.16Å; L294-I395 HydrophobicContact CD1-CG2 3.47Å; L294-I395 VanDerWaalsContact CD1-CG2 3.47Å; L294-I395 HydrophobicContact CD2-CG2 4.37Å; L376-I395 HydrophobicContact CD2-CD1 4.08Å; L376-I395 HydrophobicContact CD2-CG2 4.34Å; L376-I395 HydrophobicContact CG-CD1 4.31Å; L376-I395 HydrophobicContact CG-CG2 4.21Å; Y379-I395 HydrophobicContact CG-CD1 4.25Å; M391-I395 HydrophobicContact CB-CD1 3.92Å; M391-I395 WeakPolarHBondContact O-CB 3.33Å; M391-I395 WeakPolarHBondContact O-CD1 3.31Å; M391-I395 VanDerWaalsContact O-CG1 3.25Å; M391-I395 WeakPolarHBondContact O-CG1 3.34Å; M391-I395 PolarHBondContact O-N 3.29Å; I395-P397 VanDerWaalsContact C-CD 3.5Å; I395-F398 PolarHBondContact O-N 2.86Å; I395-H399 PolarHBondContact O-N 3.07Å; I395-M468 HydrophobicContact CG1-CE 4.42Å
396P96.9Very high96.3Very high43 Ų4351.4 Ų51.428%0.27927%0.269SS..Hα-helixtrans-55.7-41.2-171.6-2533.4000115.6F292 L294 R392 F398 H399 Q400F292-P396 HydrophobicContact CE2-CG 3.84Å; F292-P396 HydrophobicContact CZ-CG 4.49Å; L294-P396 HydrophobicContact CD2-CB 4.33Å; L294-P396 HydrophobicContact CD2-CG 4.06Å; R392-P396 WeakPolarHBondContact O-CD 3.47Å; R392-P396 VanDerWaalsContact O-CG 3.25Å; R392-P396 WeakPolarHBondContact O-CG 3.35Å; P396-F398 VanDerWaalsContact C-N 3.26Å; P396-F398 PolarHBondContact O-N 3.32Å; P396-H399 PolarHBondContact O-N 3.17Å; P396-Q400 WeakPolarHBondContact O-CB 3.48Å; P396-Q400 PolarHBondContact O-N 2.69Å
397P97.8Very high96.1Very high49 Ų4944.8 Ų44.832%0.31825%0.247SC..Hα-helixtrans-56.7-38.1176.9-26.735.4000113.5K393 I395 A401 L461K393-P397 WeakPolarHBondContact O-CD 3.45Å; I395-P397 VanDerWaalsContact C-CD 3.5Å; P397-A401 WeakPolarHBondContact O-CB 3.23Å; P397-A401 PolarHBondContact O-N 3.18Å; P397-L461 HydrophobicContact CB-CD2 4.14Å; P397-L461 WeakPolarHBondContact O-CD2 3.37Å
398F98.3Very high96Very high0 Ų044 Ų440%024%0.243CC..Hα-helixtrans-73.2-43178-68.7-69.4000112.5A368 C372 L394 I395 P396 A401 M402 L461 A464 L465 M468A368-F398 WeakPolarHBondContact O-CB 3.44Å; C372-F398 HydrophobicContact CB-CB 3.76Å; L394-F398 WeakPolarHBondContact O-CD2 3.39Å; L394-F398 WeakPolarHBondContact O-CE2 3.28Å; I395-F398 PolarHBondContact O-N 2.86Å; P396-F398 VanDerWaalsContact C-N 3.26Å; P396-F398 PolarHBondContact O-N 3.32Å; F398-A401 PolarHBondContact O-N 2.91Å; F398-M402 WeakPolarHBondContact O-CB 3.44Å; F398-M402 PolarHBondContact O-N 2.96Å; F398-L461 HydrophobicContact CD1-CB 4.47Å; F398-L461 HydrophobicContact CD1-CD1 4.12Å; F398-L461 HydrophobicContact CD1-CD2 4.18Å; F398-L461 HydrophobicContact CE1-CB 3.9Å; F398-L461 HydrophobicContact CE1-CD1 4.28Å; F398-L461 HydrophobicContact CE1-CD2 4.34Å; F398-L461 HydrophobicContact CE1-CG 4.41Å; F398-A464 HydrophobicContact CE2-CB 3.96Å; F398-A464 HydrophobicContact CZ-CB 4.09Å; F398-L465 HydrophobicContact CE1-CB 4.19Å; F398-L465 HydrophobicContact CE1-CD1 3.85Å; F398-L465 HydrophobicContact CZ-CB 3.71Å; F398-L465 HydrophobicContact CZ-CD1 3.66Å; F398-L465 HydrophobicContact CZ-CG 4.29Å; F398-M468 HydrophobicContact CD2-CE 4.25Å; F398-M468 HydrophobicContact CE2-CE 4.1Å
399H96.9Very high96Very high22 Ų2242.1 Ų42.110%0.10223%0.233CC..Hα-helixtrans-59-50.3176.4-177.9-67.3000110.7E295 I395 P396 A401 M402 D403E295-H399 IonicContact OE1-NE2 2.64Å; I395-H399 PolarHBondContact O-N 3.07Å; P396-H399 PolarHBondContact O-N 3.17Å; H399-A401 PolarHBondContact O-N 2.83Å; H399-M402 WeakPolarHBondContact O-CB 3.26Å; H399-M402 PolarHBondContact O-N 3Å; H399-D403 IonicContact CE1-OD2 3.62Å; H399-D403 PolarHBondContact CE1-OD2 3.04Å; H399-D403 IonicContact ND1-OD2 2.74Å; H399-D403 PolarHBondContact O-N 3.05Å
400Q95.5Very high95.7Very high117 Ų11739.5 Ų39.555%0.54721%0.208SC..Hα-helixtrans-61.5-46.7178.3-179.6-179.9-3.900111.6P396 M402 D403 E404P396-Q400 WeakPolarHBondContact O-CB 3.48Å; P396-Q400 PolarHBondContact O-N 2.69Å; Q400-M402 VanDerWaalsContact C-N 3.3Å; Q400-M402 PolarHBondContact O-N 3.24Å; Q400-D403 PolarHBondContact O-N 2.8Å; Q400-E404 HydrophobicContact CG-CG 4.4Å; Q400-E404 WeakPolarHBondContact CG-OE1 3.36Å; Q400-E404 PolarHBondContact NE2-OE1 3.34Å; Q400-E404 WeakPolarHBondContact O-CG 3.31Å; Q400-E404 PolarHBondContact O-N 2.99Å; Q400-E404 VanDerWaalsContact O-N 3.09Å
401A96.9Very high95.3Very high6 Ų639 Ų395%0.0521%0.208CC..Hα-helixtrans-65.1-34.9-17900000112.5A368 P397 F398 H399 D403 E404 L405 L461A368-A401 HydrophobicContact CB-CB 4.37Å; P397-A401 WeakPolarHBondContact O-CB 3.23Å; P397-A401 PolarHBondContact O-N 3.18Å; F398-A401 PolarHBondContact O-N 2.91Å; H399-A401 PolarHBondContact O-N 2.83Å; A401-D403 PolarHBondContact O-N 2.82Å; A401-E404 PolarHBondContact O-N 3.18Å; A401-L405 HydrophobicContact CB-CD1 4.32Å; A401-L405 WeakPolarHBondContact O-CB 3.26Å; A401-L405 VanDerWaalsContact O-CD1 3.26Å; A401-L405 WeakPolarHBondContact O-CD1 3.48Å; A401-L405 WeakPolarHBondContact O-CG 3.5Å; A401-L405 PolarHBondContact O-N 2.63Å; A401-L461 HydrophobicContact CB-CD1 3.75Å; A401-L461 HydrophobicContact CB-CD2 3.78Å; A401-L461 HydrophobicContact CB-CG 4.2Å
402M95.3Very high94.9Very high46 Ų4640 Ų4023%0.22721%0.213CC..Hα-helixtrans-55.2-52.4174.4176.4-172.970.800110.8A368 A369 F398 H399 Q400 E404 L405 V406A368-M402 HydrophobicContact CB-CB 4.13Å; A369-M402 HydrophobicContact CB-CG 4Å; A369-M402 HydrophobicContact CB-SD 3.44Å; A369-M402 WeakPolarHBondContact CB-SD 3.23Å; F398-M402 WeakPolarHBondContact O-CB 3.44Å; F398-M402 PolarHBondContact O-N 2.96Å; H399-M402 WeakPolarHBondContact O-CB 3.26Å; H399-M402 PolarHBondContact O-N 3Å; Q400-M402 VanDerWaalsContact C-N 3.3Å; Q400-M402 PolarHBondContact O-N 3.24Å; M402-E404 PolarHBondContact O-N 3.44Å; M402-L405 PolarHBondContact O-N 3.09Å; M402-V406 VanDerWaalsContact O-CG2 3.32Å; M402-V406 WeakPolarHBondContact O-CG2 3.48Å; M402-V406 PolarHBondContact O-N 2.9Å
403D91.6Very high94.4Very high86 Ų8637 Ų3746%0.4620%0.204SC..Hα-helixtrans-63.9-43.2-179.3-64.3-29.9000112.1H399 Q400 A401 L405 V406 A407H399-D403 IonicContact CE1-OD2 3.62Å; H399-D403 PolarHBondContact CE1-OD2 3.04Å; H399-D403 IonicContact ND1-OD2 2.74Å; H399-D403 PolarHBondContact O-N 3.05Å; Q400-D403 PolarHBondContact O-N 2.8Å; A401-D403 PolarHBondContact O-N 2.82Å; D403-L405 VanDerWaalsContact C-N 3.34Å; D403-L405 PolarHBondContact O-N 2.92Å; D403-V406 PolarHBondContact O-N 2.83Å; D403-A407 PolarHBondContact O-N 2.92Å; D403-A407 VanDerWaalsContact O-N 3.14Å
404E94.4Very high94Very high61 Ų6137.6 Ų37.629%0.28520%0.203SC..Hα-helixtrans-62.9-39.7177.5-69.9178.3178.200112.3Q400 A401 M402 A407 M408 K457Q400-E404 HydrophobicContact CG-CG 4.4Å; Q400-E404 WeakPolarHBondContact CG-OE1 3.36Å; Q400-E404 PolarHBondContact NE2-OE1 3.34Å; Q400-E404 WeakPolarHBondContact O-CG 3.31Å; Q400-E404 PolarHBondContact O-N 2.99Å; Q400-E404 VanDerWaalsContact O-N 3.09Å; A401-E404 PolarHBondContact O-N 3.18Å; M402-E404 PolarHBondContact O-N 3.44Å; E404-A407 PolarHBondContact O-N 3.42Å; E404-M408 WeakPolarHBondContact O-CG 3.29Å; E404-M408 PolarHBondContact O-N 2.93Å; E404-K457 HydrophobicContact CB-CD 4.41Å; E404-K457 IonicContact OE1-NZ 3.27Å; E404-K457 IonicContact OE2-NZ 2.56Å; E404-K457 PolarHBondContact OE2-NZ 3.23Å
405L96.9Very high93.5Very high0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-74.2-33.9179.5-70164.2000111.9A365 A368 A401 M402 D403 A407 M408 L454 V458A365-L405 HydrophobicContact CB-CB 3.8Å; A368-L405 HydrophobicContact CB-CD1 4.15Å; A401-L405 HydrophobicContact CB-CD1 4.32Å; A401-L405 WeakPolarHBondContact O-CB 3.26Å; A401-L405 VanDerWaalsContact O-CD1 3.26Å; A401-L405 WeakPolarHBondContact O-CD1 3.48Å; A401-L405 WeakPolarHBondContact O-CG 3.5Å; A401-L405 PolarHBondContact O-N 2.63Å; M402-L405 PolarHBondContact O-N 3.09Å; D403-L405 VanDerWaalsContact C-N 3.34Å; D403-L405 PolarHBondContact O-N 2.92Å; L405-A407 VanDerWaalsContact C-N 3.34Å; L405-M408 HydrophobicContact CD2-SD 4.03Å; L405-M408 WeakPolarHBondContact O-CB 3.4Å; L405-M408 PolarHBondContact O-N 3.11Å; L405-L454 HydrophobicContact CD2-CG 3.92Å; L405-V458 HydrophobicContact CD1-CG2 4.29Å; L405-V458 HydrophobicContact CD2-CG2 4.16Å
406V94.9Very high92.9Very high51 Ų5140.9 Ų40.931%0.30922%0.219SC..Hα-helixtrans-59.4-47171.11680000110.2V336 A365 M402 D403 M408 V409V336-V406 HydrophobicContact CB-CG1 4.26Å; V336-V406 HydrophobicContact CG1-CG1 3.35Å; V336-V406 HydrophobicContact CG2-CG1 3.84Å; V336-V406 WeakPolarHBondContact CG2-O 3.19Å; A365-V406 HydrophobicContact CB-CG2 3.74Å; M402-V406 VanDerWaalsContact O-CG2 3.32Å; M402-V406 WeakPolarHBondContact O-CG2 3.48Å; M402-V406 PolarHBondContact O-N 2.9Å; D403-V406 PolarHBondContact O-N 2.83Å; V406-M408 PolarHBondContact O-N 3.49Å; V406-V409 WeakPolarHBondContact O-CB 3.43Å; V406-V409 WeakPolarHBondContact O-CG2 3.42Å; V406-V409 PolarHBondContact O-N 2.92Å; V406-V409 VanDerWaalsContact O-N 3.09Å
407A91.4Very high92.3Very high56 Ų5641.5 Ų41.546%0.46323%0.225SC..Hα-helixtrans-61.9-25.6178.200000113.4D403 E404 L405 V409 A411D403-A407 PolarHBondContact O-N 2.92Å; D403-A407 VanDerWaalsContact O-N 3.14Å; E404-A407 PolarHBondContact O-N 3.42Å; L405-A407 VanDerWaalsContact C-N 3.34Å; A407-V409 VanDerWaalsContact C-N 3.3Å; A407-V409 PolarHBondContact O-N 3.4Å; A407-A411 PolarHBondContact O-N 2.91Å
408M94.8Very high91.7Very high19 Ų1942.8 Ų42.89%0.09423%0.232CC..Hα-helixtrans-70.8-20.7177-73.1178.8137.400113.9A361 E404 L405 V406 D410 A411 D412 A453 L454 K457A361-M408 HydrophobicContact CB-CB 3.94Å; E404-M408 WeakPolarHBondContact O-CG 3.29Å; E404-M408 PolarHBondContact O-N 2.93Å; L405-M408 HydrophobicContact CD2-SD 4.03Å; L405-M408 WeakPolarHBondContact O-CB 3.4Å; L405-M408 PolarHBondContact O-N 3.11Å; V406-M408 PolarHBondContact O-N 3.49Å; M408-D410 VanDerWaalsContact C-N 3.34Å; M408-D410 PolarHBondContact O-N 3.44Å; M408-A411 PolarHBondContact O-N 2.97Å; M408-D412 PolarHBondContact O-N 2.86Å; M408-A453 HydrophobicContact CE-CB 3.5Å; M408-A453 VanDerWaalsContact CE-CB 3.5Å; M408-L454 HydrophobicContact CE-CB 4.38Å; M408-L454 HydrophobicContact SD-CB 3.94Å; M408-L454 HydrophobicContact SD-CG 4.46Å; M408-K457 HydrophobicContact CE-CD 3.88Å; M408-K457 HydrophobicContact SD-CD 3.98Å
409V93.9Very high91.2Very high8 Ų844.3 Ų44.35%0.04824%0.238CC..Hα-helixtrans-58.2-48.7175.4177.40000110.3L335 V336 F343 S358 A361 A362 V406 A407L335-V409 HydrophobicContact CB-CG1 4.13Å; L335-V409 HydrophobicContact CD1-CG1 4.26Å; V336-V409 HydrophobicContact CG2-CB 3.87Å; V336-V409 HydrophobicContact CG2-CG1 4.26Å; V336-V409 HydrophobicContact CG2-CG2 4.44Å; F343-V409 HydrophobicContact CE2-CG1 3.85Å; F343-V409 HydrophobicContact CZ-CG1 4.3Å; S358-V409 PolarHBondContact OG-O 3.22Å; A361-V409 HydrophobicContact CB-CG2 3.81Å; A362-V409 HydrophobicContact CB-CG2 4.05Å; V406-V409 WeakPolarHBondContact O-CB 3.43Å; V406-V409 WeakPolarHBondContact O-CG2 3.42Å; V406-V409 PolarHBondContact O-N 2.92Å; V406-V409 VanDerWaalsContact O-N 3.09Å; A407-V409 VanDerWaalsContact C-N 3.3Å; A407-V409 PolarHBondContact O-N 3.4Å
410D89.9Confident90.7Very high23 Ų2346.6 Ų46.612%0.12325%0.249CC..Hα-helixtrans-76.7-30.7177.7-65.6-43.1000112.2L335 V336 M408 D412 S413 R414L335-D410 WeakPolarHBondContact CA-OD1 2.95Å; L335-D410 VanDerWaalsContact CB-OD1 3.24Å; L335-D410 WeakPolarHBondContact CB-OD1 3.42Å; L335-D410 PolarHBondContact N-OD1 2.77Å; V336-D410 VanDerWaalsContact CG2-OD2 3.3Å; V336-D410 WeakPolarHBondContact CG2-OD2 3.46Å; M408-D410 VanDerWaalsContact C-N 3.34Å; M408-D410 PolarHBondContact O-N 3.44Å; D410-D412 VanDerWaalsContact C-N 3.33Å; D410-D412 PolarHBondContact O-N 3.38Å; D410-S413 PolarHBondContact O-N 3.29Å; D410-R414 VanDerWaalsContact CB-NH1 3.26Å; D410-R414 WeakPolarHBondContact O-CB 3.35Å; D410-R414 WeakPolarHBondContact O-CG 3.5Å; D410-R414 PolarHBondContact O-N 2.93Å
411A88.4Confident90.4Very high24 Ų2447 Ų4720%0.19825%0.251CS..Hα-helixtrans-61.6-41.7177.400000112A407 M408 R414 A415 V450A407-A411 PolarHBondContact O-N 2.91Å; M408-A411 PolarHBondContact O-N 2.97Å; A411-R414 PolarHBondContact O-N 2.57Å; A411-A415 WeakPolarHBondContact O-CB 3.46Å; A411-A415 PolarHBondContact O-N 2.97Å; A411-V450 HydrophobicContact CB-CG1 4.22Å; A411-V450 HydrophobicContact CB-CG2 4.39Å
412D89.4Confident90Very high20 Ų2047.1 Ų47.111%0.10725%0.252CS..Hα-helixtrans-60.9-49.7175.3176.575.1000111.4G357 S358 M408 D410 R414 A415 F416 V450G357-D412 WeakPolarHBondContact CA-OD1 3.3Å; S358-D412 VanDerWaalsContact N-CG 3.31Å; S358-D412 PolarHBondContact N-OD2 3.11Å; S358-D412 PolarHBondContact OG-OD2 2.9Å; M408-D412 PolarHBondContact O-N 2.86Å; D410-D412 VanDerWaalsContact C-N 3.33Å; D410-D412 PolarHBondContact O-N 3.38Å; D412-R414 VanDerWaalsContact C-N 3.32Å; D412-R414 PolarHBondContact O-N 3.04Å; D412-A415 PolarHBondContact O-N 3.29Å; D412-F416 PolarHBondContact O-N 3.18Å; D412-V450 HydrophobicContact CB-CG1 4.2Å
413S86.9Confident89.7Confident15 Ų1548.5 Ų48.511%0.10526%0.259CS..Hα-helixtrans-64-36.1179.3-74.50000112.9L335 S358 D410 S417L335-S413 WeakPolarHBondContact CD1-OG 3.28Å; S358-S413 PolarHBondContact OG-OG 2.86Å; D410-S413 PolarHBondContact O-N 3.29Å; S413-S417 WeakPolarHBondContact O-CB 3.4Å; S413-S417 PolarHBondContact O-N 3.11Å; S413-S417 PolarHBondContact O-OG 3.43Å
414R87.6Confident89.6Confident141 Ų14152.3 Ų52.353%0.53227%0.271SS..Hα-helixtrans-67.1-47.3173-75.7-173-63.9-97.5-2.8112D410 A411 D412 F416 S417 T418D410-R414 VanDerWaalsContact CB-NH1 3.26Å; D410-R414 WeakPolarHBondContact O-CB 3.35Å; D410-R414 WeakPolarHBondContact O-CG 3.5Å; D410-R414 PolarHBondContact O-N 2.93Å; A411-R414 PolarHBondContact O-N 2.57Å; D412-R414 VanDerWaalsContact C-N 3.32Å; D412-R414 PolarHBondContact O-N 3.04Å; R414-F416 VanDerWaalsContact C-N 3.3Å; R414-F416 PolarHBondContact O-N 3.45Å; R414-S417 WeakPolarHBondContact O-CB 3.24Å; R414-S417 PolarHBondContact O-N 3.47Å; R414-S417 VanDerWaalsContact O-N 3.11Å; R414-T418 PolarHBondContact O-N 3.43Å; R414-T418 PolarHBondContact O-OG1 3.15Å; R414-T418 VanDerWaalsContact O-OG1 3.09Å
415A87.1Confident89.4Confident11 Ų1152.5 Ų52.59%0.09127%0.274CS..Hα-helixtrans-59.3-42.5179.900000111.6A411 D412 T418 Y419 A447 V450A411-A415 WeakPolarHBondContact O-CB 3.46Å; A411-A415 PolarHBondContact O-N 2.97Å; D412-A415 PolarHBondContact O-N 3.29Å; A415-T418 PolarHBondContact O-N 2.93Å; A415-Y419 PolarHBondContact O-N 2.83Å; A415-A447 HydrophobicContact CB-CB 4.46Å; A415-V450 HydrophobicContact CB-CG2 4.14Å
416F85.1Confident89.1Confident60 Ų6056 Ų5626%0.26330%0.297SS..Hα-helixtrans-64.5-41.5174.6-173.6-97.2000112.6A352 A353 D412 R414 T418 Y419 M420A352-F416 HydrophobicContact CB-CE1 3.62Å; A352-F416 HydrophobicContact CB-CZ 3.95Å; A353-F416 HydrophobicContact CB-CD1 4Å; D412-F416 PolarHBondContact O-N 3.18Å; R414-F416 VanDerWaalsContact C-N 3.3Å; R414-F416 PolarHBondContact O-N 3.45Å; F416-T418 PolarHBondContact O-N 3.06Å; F416-Y419 PolarHBondContact O-N 3.21Å; F416-M420 HydrophobicContact CD1-CG 3.92Å; F416-M420 HydrophobicContact CE1-CG 3.48Å; F416-M420 VanDerWaalsContact CE1-CG 3.48Å; F416-M420 HydrophobicContact CE1-SD 4.04Å; F416-M420 HydrophobicContact CZ-CG 3.89Å; F416-M420 HydrophobicContact CZ-SD 3.9Å; F416-M420 WeakPolarHBondContact O-CG 3.31Å; F416-M420 PolarHBondContact O-N 2.96Å
417S85.9Confident88.9Confident57 Ų5760 Ų6040%0.39931%0.31SS..Hα-helixtrans-61.5-42.8177.6-60.90000111.8S413 R414 Y419 M420 E421S413-S417 WeakPolarHBondContact O-CB 3.4Å; S413-S417 PolarHBondContact O-N 3.11Å; S413-S417 PolarHBondContact O-OG 3.43Å; R414-S417 WeakPolarHBondContact O-CB 3.24Å; R414-S417 PolarHBondContact O-N 3.47Å; R414-S417 VanDerWaalsContact O-N 3.11Å; S417-Y419 VanDerWaalsContact C-N 3.32Å; S417-Y419 PolarHBondContact O-N 2.88Å; S417-M420 WeakPolarHBondContact O-CB 3.46Å; S417-M420 PolarHBondContact O-N 2.88Å; S417-M420 VanDerWaalsContact O-N 3.14Å; S417-E421 WeakPolarHBondContact O-CG 3.4Å; S417-E421 PolarHBondContact O-N 2.87Å
418T85.4Confident89Confident76 Ų7662 Ų6247%0.46632%0.321SS..Hα-helixtrans-58.6-42.7175.3-55.10000112R414 A415 F416 E421 A422R414-T418 PolarHBondContact O-N 3.43Å; R414-T418 PolarHBondContact O-OG1 3.15Å; R414-T418 VanDerWaalsContact O-OG1 3.09Å; A415-T418 PolarHBondContact O-N 2.93Å; F416-T418 PolarHBondContact O-N 3.06Å; T418-E421 PolarHBondContact O-N 2.7Å; T418-A422 PolarHBondContact O-N 2.92Å
419Y87.4Confident89Confident32 Ų3264.2 Ų64.213%0.12534%0.335CS..Hα-helixtrans-63-44174.8171.6-108.8000112A415 F416 S417 E421 A422 M423 M440 L444A415-Y419 PolarHBondContact O-N 2.83Å; F416-Y419 PolarHBondContact O-N 3.21Å; S417-Y419 VanDerWaalsContact C-N 3.32Å; S417-Y419 PolarHBondContact O-N 2.88Å; Y419-E421 VanDerWaalsContact C-N 3.32Å; Y419-E421 PolarHBondContact O-N 2.85Å; Y419-A422 WeakPolarHBondContact O-CB 3.47Å; Y419-A422 PolarHBondContact O-N 2.92Å; Y419-M423 HydrophobicContact CD1-SD 4.41Å; Y419-M423 HydrophobicContact CE1-CG 4.26Å; Y419-M423 HydrophobicContact CE1-SD 3.67Å; Y419-M423 HydrophobicContact CE2-CG 4.29Å; Y419-M423 PolarHBondContact O-N 3.44Å; Y419-M440 HydrophobicContact CE2-CB 4.31Å; Y419-M440 HydrophobicContact CE2-CE 4.01Å; Y419-M440 HydrophobicContact CE2-CG 4.49Å; Y419-L444 HydrophobicContact CD2-CD2 3.91Å; Y419-L444 HydrophobicContact CD2-CG 3.69Å; Y419-L444 HydrophobicContact CE1-CD2 4.39Å; Y419-L444 HydrophobicContact CE2-CD1 3.93Å; Y419-L444 HydrophobicContact CE2-CD2 3.64Å; Y419-L444 HydrophobicContact CE2-CG 3.48Å; Y419-L444 VanDerWaalsContact CE2-CG 3.48Å; Y419-L444 HydrophobicContact CG-CD2 4.4Å
420M86.6Confident88.8Confident69 Ų6967.7 Ų67.734%0.3437%0.365SS..Hα-helixtrans-63.9-35.1177.2-71-62-63.500112.8F416 S417 M423 K424F416-M420 HydrophobicContact CD1-CG 3.92Å; F416-M420 HydrophobicContact CE1-CG 3.48Å; F416-M420 VanDerWaalsContact CE1-CG 3.48Å; F416-M420 HydrophobicContact CE1-SD 4.04Å; F416-M420 HydrophobicContact CZ-CG 3.89Å; F416-M420 HydrophobicContact CZ-SD 3.9Å; F416-M420 WeakPolarHBondContact O-CG 3.31Å; F416-M420 PolarHBondContact O-N 2.96Å; S417-M420 WeakPolarHBondContact O-CB 3.46Å; S417-M420 PolarHBondContact O-N 2.88Å; S417-M420 VanDerWaalsContact O-N 3.14Å; M420-M423 PolarHBondContact O-N 2.97Å; M420-M423 HydrophobicContact SD-SD 4.2Å; M420-K424 WeakPolarHBondContact O-CG 3.23Å; M420-K424 PolarHBondContact O-N 3.06Å
421E87.8Confident88.8Confident127 Ų12774.2 Ų74.259%0.59339%0.394SS*.Hα-helixtrans-67.4-43.2172.7-72.8-177.4158.700111.6S417 T418 Y419 M423 K424 L425S417-E421 WeakPolarHBondContact O-CG 3.4Å; S417-E421 PolarHBondContact O-N 2.87Å; T418-E421 PolarHBondContact O-N 2.7Å; Y419-E421 VanDerWaalsContact C-N 3.32Å; Y419-E421 PolarHBondContact O-N 2.85Å; E421-M423 PolarHBondContact O-N 3.23Å; E421-K424 WeakPolarHBondContact O-CB 3.27Å; E421-K424 PolarHBondContact O-N 3.31Å; E421-L425 PolarHBondContact O-N 3.2Å
422A89.8Confident89Confident7 Ų776.1 Ų76.16%0.05840%0.399CS..Hα-helixtrans-58.8-36.9174.600000112T418 Y419 K424 L425 A439 M440T418-A422 PolarHBondContact O-N 2.92Å; Y419-A422 WeakPolarHBondContact O-CB 3.47Å; Y419-A422 PolarHBondContact O-N 2.92Å; A422-K424 PolarHBondContact O-N 3.36Å; A422-L425 HydrophobicContact CB-CD1 4.47Å; A422-L425 WeakPolarHBondContact O-CB 3.49Å; A422-L425 WeakPolarHBondContact O-CG 3.45Å; A422-L425 PolarHBondContact O-N 3.47Å; A422-A439 HydrophobicContact CB-CB 3.98Å; A422-M440 HydrophobicContact CB-CG 3.87Å
423M87.8Confident89Confident75 Ų7582.4 Ų82.437%0.36942%0.422SS..Hα-helixtrans-62.2-28.2175-73.6-170.876.500113.6Y419 M420 E421 R436 M440Y419-M423 HydrophobicContact CD1-SD 4.41Å; Y419-M423 HydrophobicContact CE1-CG 4.26Å; Y419-M423 HydrophobicContact CE1-SD 3.67Å; Y419-M423 HydrophobicContact CE2-CG 4.29Å; Y419-M423 PolarHBondContact O-N 3.44Å; M420-M423 PolarHBondContact O-N 2.97Å; M420-M423 HydrophobicContact SD-SD 4.2Å; E421-M423 PolarHBondContact O-N 3.23Å; M423-R436 PolarHBondContact O-NE 3.09Å; M423-R436 PolarHBondContact O-NH2 2.94Å; M423-M440 HydrophobicContact CG-CE 3.83Å; M423-M440 HydrophobicContact CG-CG 4.43Å; M423-M440 HydrophobicContact CG-SD 4.16Å
424K91Very high89.3Confident166 Ų16688.7 Ų88.772%0.72245%0.449SS*.THydrogen-bonded Turntrans-83.9-8-179.6-65.2172.9-173.5174.20113.7M420 E421 A422M420-K424 WeakPolarHBondContact O-CG 3.23Å; M420-K424 PolarHBondContact O-N 3.06Å; E421-K424 WeakPolarHBondContact O-CB 3.27Å; E421-K424 PolarHBondContact O-N 3.31Å; A422-K424 PolarHBondContact O-N 3.36Å
425L90Very high89.4Confident66 Ų6691.4 Ų91.435%0.34646%0.46SS..SBendtrans-58.2149.6178.4-70.4171.2000111.7E421 A422 R436 A439E421-L425 PolarHBondContact O-N 3.2Å; A422-L425 HydrophobicContact CB-CD1 4.47Å; A422-L425 WeakPolarHBondContact O-CB 3.49Å; A422-L425 WeakPolarHBondContact O-CG 3.45Å; A422-L425 PolarHBondContact O-N 3.47Å; L425-R436 HydrophobicContact CB-CB 4.09Å; L425-R436 HydrophobicContact CB-CG 4.03Å; L425-R436 WeakPolarHBondContact O-CD 3.47Å; L425-R436 PolarHBondContact O-NE 3.31Å; L425-A439 HydrophobicContact CD1-CB 3.69Å
426P89.3Confident89.7Confident74 Ų7493.7 Ų93.748%0.48147%0.466SS..  trans-53.7154.7175-26.735.7000113.1E432P426-E432 HydrophobicContact CB-CB 4.45Å; P426-E432 VanDerWaalsContact CB-CD 3.49Å; P426-E432 HydrophobicContact CB-CG 4.11Å; P426-E432 WeakPolarHBondContact CB-OE2 3.2Å
427K92Very high90Very high133 Ų13395.6 Ų95.658%0.57848%0.478SS*.  trans-144.220.8-17662.5179.3178.4-179.40113R433K427-R433 HydrophobicContact CB-CG 4.19Å; K427-R433 WeakPolarHBondContact O-CG 3.47Å; K427-R433 PolarHBondContact O-NE 2.74Å
428S92.9Very high90.3Very high99 Ų9995.7 Ų95.769%0.69248%0.482SS*.SBendtrans-80.5-40.6-171.8-57.10000110.9E432S428-E432 WeakPolarHBondContact CA-OE2 3.21Å; S428-E432 VanDerWaalsContact CB-OE2 3.3Å; S428-E432 WeakPolarHBondContact CB-OE2 3.35Å; S428-E432 PolarHBondContact N-OE2 3.09Å
429T93.7Very high90.6Very high66 Ų6693.4 Ų93.441%0.40547%0.471SS..SBendtrans-100.3165178.175.10000112.6E432 R433T429-E432 PolarHBondContact N-OE2 3.16Å; T429-E432 VanDerWaalsContact N-OE2 3.1Å; T429-E432 PolarHBondContact O-N 3.32Å; T429-E432 WeakPolarHBondContact OG1-CB 3.32Å; T429-E432 WeakPolarHBondContact OG1-CG 3.42Å; T429-E432 PolarHBondContact OG1-N 3.04Å; T429-R433 VanDerWaalsContact O-CG 3.27Å; T429-R433 WeakPolarHBondContact O-CG 3.16Å; T429-R433 PolarHBondContact O-N 3.26Å; T429-R433 VanDerWaalsContact O-N 3.07Å
430A91.1Very high90.9Very high81 Ų8193.2 Ų93.267%0.66947%0.472SS*.Hα-helixtrans-63.1-43.2175.200000111.9R433 E434A430-R433 PolarHBondContact O-N 2.92Å; A430-E434 PolarHBondContact O-N 3.03Å
431E90.7Very high91.3Very high159 Ų15991.1 Ų91.174%0.74346%0.461SS*.Hα-helixtrans-62.6-42.1176.7-171.6-178.6177.900112R433 E434 R435E431-R433 PolarHBondContact O-N 3.2Å; E431-E434 PolarHBondContact O-N 3.24Å; E431-R435 WeakPolarHBondContact O-CB 3.43Å; E431-R435 PolarHBondContact O-N 2.84Å
432E91.2Very high91.5Very high64 Ų6492 Ų9230%0.29947%0.465SS..Hα-helixtrans-62.5-41.2174.7-77.3174.9174.300112.1P426 S428 T429 R436P426-E432 HydrophobicContact CB-CB 4.45Å; P426-E432 VanDerWaalsContact CB-CD 3.49Å; P426-E432 HydrophobicContact CB-CG 4.11Å; P426-E432 WeakPolarHBondContact CB-OE2 3.2Å; S428-E432 WeakPolarHBondContact CA-OE2 3.21Å; S428-E432 VanDerWaalsContact CB-OE2 3.3Å; S428-E432 WeakPolarHBondContact CB-OE2 3.35Å; S428-E432 PolarHBondContact N-OE2 3.09Å; T429-E432 PolarHBondContact N-OE2 3.16Å; T429-E432 VanDerWaalsContact N-OE2 3.1Å; T429-E432 PolarHBondContact O-N 3.32Å; T429-E432 WeakPolarHBondContact OG1-CB 3.32Å; T429-E432 WeakPolarHBondContact OG1-CG 3.42Å; T429-E432 PolarHBondContact OG1-N 3.04Å; E432-R436 WeakPolarHBondContact O-CB 3.3Å; E432-R436 PolarHBondContact O-N 3.15Å
433R90.6Very high91.6Very high153 Ų15391.8 Ų91.858%0.57746%0.464SS*.Hα-helixtrans-64.1-41.7177.8-72170.4-170.11786.6111.8K427 T429 A430 E431 L437K427-R433 HydrophobicContact CB-CG 4.19Å; K427-R433 WeakPolarHBondContact O-CG 3.47Å; K427-R433 PolarHBondContact O-NE 2.74Å; T429-R433 VanDerWaalsContact O-CG 3.27Å; T429-R433 WeakPolarHBondContact O-CG 3.16Å; T429-R433 PolarHBondContact O-N 3.26Å; T429-R433 VanDerWaalsContact O-N 3.07Å; A430-R433 PolarHBondContact O-N 2.92Å; E431-R433 PolarHBondContact O-N 3.2Å; R433-L437 WeakPolarHBondContact O-CB 3.08Å; R433-L437 PolarHBondContact O-N 3.28Å
434E92.2Very high91.8Very high146 Ų14688.3 Ų88.368%0.68245%0.447SS*.Hα-helixtrans-65.7-48.6177.6-172.9173.5-169.600111.2A430 E431 R436 L437 A438A430-E434 PolarHBondContact O-N 3.03Å; E431-E434 PolarHBondContact O-N 3.24Å; E434-R436 VanDerWaalsContact C-N 3.32Å; E434-R436 PolarHBondContact O-N 3.17Å; E434-L437 PolarHBondContact O-N 3.21Å; E434-A438 WeakPolarHBondContact O-CB 3.4Å; E434-A438 PolarHBondContact O-N 3.43Å
435R90.8Very high91.9Very high199 Ų19983.3 Ų83.375%0.75143%0.425SS*.Hα-helixtrans-60.5-41.7176.6-171.4176.4-177176.51.7112.1E431 A438 A439E431-R435 WeakPolarHBondContact O-CB 3.43Å; E431-R435 PolarHBondContact O-N 2.84Å; R435-A438 PolarHBondContact O-N 2.91Å; R435-A439 WeakPolarHBondContact O-CB 3.18Å; R435-A439 PolarHBondContact O-N 3.37Å
436R91.9Very high91.9Very high58 Ų5881.8 Ų81.822%0.21942%0.422CS..Hα-helixtrans-61.9-46.5175.1176.5174.3-176.4-90.9-5.4111.4M423 L425 E432 E434 A439 M440M423-R436 PolarHBondContact O-NE 3.09Å; M423-R436 PolarHBondContact O-NH2 2.94Å; L425-R436 HydrophobicContact CB-CB 4.09Å; L425-R436 HydrophobicContact CB-CG 4.03Å; L425-R436 WeakPolarHBondContact O-CD 3.47Å; L425-R436 PolarHBondContact O-NE 3.31Å; E432-R436 WeakPolarHBondContact O-CB 3.3Å; E432-R436 PolarHBondContact O-N 3.15Å; E434-R436 VanDerWaalsContact C-N 3.32Å; E434-R436 PolarHBondContact O-N 3.17Å; R436-A439 PolarHBondContact O-N 3.28Å; R436-M440 HydrophobicContact CG-SD 4.12Å; R436-M440 WeakPolarHBondContact O-CB 3.11Å; R436-M440 VanDerWaalsContact O-CG 3.29Å; R436-M440 WeakPolarHBondContact O-CG 3.2Å; R436-M440 PolarHBondContact O-N 2.97Å
437L92.3Very high92Very high100 Ų10078.7 Ų78.752%0.52440%0.403SS..Hα-helixtrans-62.5-45.8178.4-178.965.6000111.3R433 E434 A439 M440 Q441R433-L437 WeakPolarHBondContact O-CB 3.08Å; R433-L437 PolarHBondContact O-N 3.28Å; E434-L437 PolarHBondContact O-N 3.21Å; L437-A439 PolarHBondContact O-N 3.31Å; L437-M440 PolarHBondContact O-N 2.85Å; L437-Q441 HydrophobicContact CD1-CG 4.42Å; L437-Q441 WeakPolarHBondContact O-CG 3.25Å; L437-Q441 PolarHBondContact O-N 3.3Å
438A92.1Very high92.2Very high59 Ų5972.4 Ų72.449%0.48838%0.375SS..Hα-helixtrans-59.8-46.8177.300000111.7E434 R435 M440 Q441 Q442E434-A438 WeakPolarHBondContact O-CB 3.4Å; E434-A438 PolarHBondContact O-N 3.43Å; R435-A438 PolarHBondContact O-N 2.91Å; A438-M440 PolarHBondContact O-N 3.01Å; A438-Q441 PolarHBondContact O-N 3.45Å; A438-Q442 WeakPolarHBondContact O-CB 3.48Å; A438-Q442 PolarHBondContact O-N 3.05Å
439A92.3Very high92.3Very high29 Ų2972.9 Ų72.924%0.2437%0.367CS..Hα-helixtrans-62.6-40.4176.800000112.4A422 L425 R435 R436 L437 Q442 G443A422-A439 HydrophobicContact CB-CB 3.98Å; L425-A439 HydrophobicContact CD1-CB 3.69Å; R435-A439 WeakPolarHBondContact O-CB 3.18Å; R435-A439 PolarHBondContact O-N 3.37Å; R436-A439 PolarHBondContact O-N 3.28Å; L437-A439 PolarHBondContact O-N 3.31Å; A439-Q442 PolarHBondContact O-N 3.42Å; A439-G443 PolarHBondContact O-N 2.86Å
440M93.1Very high92.3Very high27 Ų2771 Ų7113%0.13336%0.355CS..Hα-helixtrans-64.7-44.2175.6-75.7-179.860.400111.8Y419 A422 M423 R436 L437 A438 G443 L444Y419-M440 HydrophobicContact CE2-CB 4.31Å; Y419-M440 HydrophobicContact CE2-CE 4.01Å; Y419-M440 HydrophobicContact CE2-CG 4.49Å; A422-M440 HydrophobicContact CB-CG 3.87Å; M423-M440 HydrophobicContact CG-CE 3.83Å; M423-M440 HydrophobicContact CG-CG 4.43Å; M423-M440 HydrophobicContact CG-SD 4.16Å; R436-M440 HydrophobicContact CG-SD 4.12Å; R436-M440 WeakPolarHBondContact O-CB 3.11Å; R436-M440 VanDerWaalsContact O-CG 3.29Å; R436-M440 WeakPolarHBondContact O-CG 3.2Å; R436-M440 PolarHBondContact O-N 2.97Å; L437-M440 PolarHBondContact O-N 2.85Å; A438-M440 PolarHBondContact O-N 3.01Å; M440-G443 PolarHBondContact O-N 2.9Å; M440-L444 WeakPolarHBondContact O-CG 3.4Å; M440-L444 PolarHBondContact O-N 2.88Å
441Q94.6Very high92.6Very high26 Ų2667.3 Ų67.312%0.12132%0.324CS..Hα-helixtrans-64.9-39.4177.4-72.8-62.5-55.300111.9L437 A438 L444 K445 D504 T506L437-Q441 HydrophobicContact CD1-CG 4.42Å; L437-Q441 WeakPolarHBondContact O-CG 3.25Å; L437-Q441 PolarHBondContact O-N 3.3Å; A438-Q441 PolarHBondContact O-N 3.45Å; Q441-L444 PolarHBondContact O-N 3.2Å; Q441-K445 WeakPolarHBondContact O-CG 3.39Å; Q441-K445 PolarHBondContact O-N 2.97Å; Q441-D504 PolarHBondContact NE2-O 2.99Å; Q441-T506 PolarHBondContact OE1-OG1 3.27Å
442Q92.4Very high92.9Very high145 Ų14560.2 Ų60.268%0.67829%0.292SS*.Hα-helixtrans-65.1-43.4173.6-172.7178.14.600111.6A438 A439 L444 K445 A446A438-Q442 WeakPolarHBondContact O-CB 3.48Å; A438-Q442 PolarHBondContact O-N 3.05Å; A439-Q442 PolarHBondContact O-N 3.42Å; Q442-L444 PolarHBondContact O-N 2.79Å; Q442-K445 PolarHBondContact O-N 3.08Å; Q442-A446 PolarHBondContact O-N 2.8Å
443G91.3Very high93.2Very high3 Ų358.7 Ų58.73%0.03129%0.291CS..Hα-helixtrans-60.3-42175.600000112.8A439 M440 A446 A447A439-G443 PolarHBondContact O-N 2.86Å; M440-G443 PolarHBondContact O-N 2.9Å; G443-A446 PolarHBondContact O-N 2.77Å; G443-A447 WeakPolarHBondContact O-CB 3.49Å; G443-A447 PolarHBondContact O-N 2.8Å
444L92.1Very high93.6Very high2 Ų251.6 Ų51.61%0.0126%0.264CS..Hα-helixtrans-64.7-42.8174.7-75.4168.4000112.4Y419 M440 Q441 Q442 A446 A447 V448 N501 D504 I505Y419-L444 HydrophobicContact CD2-CD2 3.91Å; Y419-L444 HydrophobicContact CD2-CG 3.69Å; Y419-L444 HydrophobicContact CE1-CD2 4.39Å; Y419-L444 HydrophobicContact CE2-CD1 3.93Å; Y419-L444 HydrophobicContact CE2-CD2 3.64Å; Y419-L444 HydrophobicContact CE2-CG 3.48Å; Y419-L444 VanDerWaalsContact CE2-CG 3.48Å; Y419-L444 HydrophobicContact CG-CD2 4.4Å; M440-L444 WeakPolarHBondContact O-CG 3.4Å; M440-L444 PolarHBondContact O-N 2.88Å; Q441-L444 PolarHBondContact O-N 3.2Å; Q442-L444 PolarHBondContact O-N 2.79Å; L444-A446 VanDerWaalsContact C-N 3.35Å; L444-A446 PolarHBondContact O-N 3.39Å; L444-A447 PolarHBondContact O-N 3.05Å; L444-V448 WeakPolarHBondContact O-CG2 3.26Å; L444-V448 PolarHBondContact O-N 3.24Å; L444-N501 HydrophobicContact CD2-CB 4.5Å; L444-D504 HydrophobicContact CD1-CB 3.7Å; L444-D504 WeakPolarHBondContact CD1-O 2.99Å; L444-D504 HydrophobicContact CD2-CB 4.29Å; L444-I505 HydrophobicContact CB-CD1 4.17Å; L444-I505 HydrophobicContact CB-CG1 3.79Å; L444-I505 HydrophobicContact CD1-CG1 4.31Å
445K93.8Very high93.9Very high60 Ų6044.7 Ų44.726%0.26123%0.232SC..Hα-helixtrans-59.5-46.3175.4-75.2-179.9175-170.50110.9Q441 Q442 A447 V448 E449 I505 D507 F510Q441-K445 WeakPolarHBondContact O-CG 3.39Å; Q441-K445 PolarHBondContact O-N 2.97Å; Q442-K445 PolarHBondContact O-N 3.08Å; K445-A447 PolarHBondContact O-N 3.49Å; K445-V448 PolarHBondContact O-N 3.33Å; K445-V448 VanDerWaalsContact O-N 3.15Å; K445-E449 VanDerWaalsContact O-CG 3.29Å; K445-E449 WeakPolarHBondContact O-CG 3.46Å; K445-E449 PolarHBondContact O-N 3.46Å; K445-I505 HydrophobicContact CG-CD1 4.13Å; K445-D507 IonicContact NZ-OD2 3.5Å; K445-D507 PolarHBondContact NZ-OD2 3.23Å; K445-F510 HydrophobicContact CB-CZ 4.43Å; K445-F510 HydrophobicContact CG-CD1 4.48Å; K445-F510 HydrophobicContact CG-CE1 4.14Å; K445-F510 HydrophobicContact CG-CZ 4.15Å
446A90.6Very high94.2Very high35 Ų3537.5 Ų37.529%0.28921%0.207SC..Hα-helixtrans-61.2-41174.600000112.7Q442 G443 L444 V448 E449 V450Q442-A446 PolarHBondContact O-N 2.8Å; G443-A446 PolarHBondContact O-N 2.77Å; L444-A446 VanDerWaalsContact C-N 3.35Å; L444-A446 PolarHBondContact O-N 3.39Å; A446-V448 VanDerWaalsContact C-N 3.26Å; A446-V448 PolarHBondContact O-N 2.64Å; A446-E449 PolarHBondContact O-N 2.64Å; A446-V450 PolarHBondContact O-N 2.83Å
447A91.1Very high94.6Very high8 Ų837.1 Ų37.17%0.06621%0.207CC..Hα-helixtrans-66.5-25.2176.400000113.4A415 G443 L444 K445 P451A415-A447 HydrophobicContact CB-CB 4.46Å; G443-A447 WeakPolarHBondContact O-CB 3.49Å; G443-A447 PolarHBondContact O-N 2.8Å; L444-A447 PolarHBondContact O-N 3.05Å; K445-A447 PolarHBondContact O-N 3.49Å; A447-P451 WeakPolarHBondContact O-CD 3.34Å; A447-P451 WeakPolarHBondContact O-CG 3.45Å
448V95.1Very high94.9Very high1 Ų132.3 Ų32.31%0.00618%0.182CC..Hα-helixtrans-82.6-36.4172.9166.10000111.9L444 K445 A446 V450 P451 C452 V498 N501 L502 I505 F510 T514L444-V448 WeakPolarHBondContact O-CG2 3.26Å; L444-V448 PolarHBondContact O-N 3.24Å; K445-V448 PolarHBondContact O-N 3.33Å; K445-V448 VanDerWaalsContact O-N 3.15Å; A446-V448 VanDerWaalsContact C-N 3.26Å; A446-V448 PolarHBondContact O-N 2.64Å; V448-V450 PolarHBondContact O-N 2.98Å; V448-P451 VanDerWaalsContact O-CD 3.29Å; V448-P451 WeakPolarHBondContact O-CD 3.19Å; V448-P451 WeakPolarHBondContact O-CG 3.4Å; V448-C452 WeakPolarHBondContact O-CB 3.2Å; V448-C452 PolarHBondContact O-N 2.94Å; V448-C452 VanDerWaalsContact O-N 3.15Å; V448-V498 HydrophobicContact CG1-CG1 4.02Å; V448-V498 HydrophobicContact CG1-CG2 4.41Å; V448-N501 HydrophobicContact CG2-CB 3.5Å; V448-N501 VanDerWaalsContact CG2-CB 3.5Å; V448-L502 HydrophobicContact CG1-CD2 4.19Å; V448-L502 HydrophobicContact CG2-CD2 4.26Å; V448-I505 HydrophobicContact CG2-CD1 3.95Å; V448-F510 HydrophobicContact CB-CE1 4.49Å; V448-F510 HydrophobicContact CG1-CE1 4.03Å; V448-F510 HydrophobicContact CG1-CZ 4.16Å; V448-T514 HydrophobicContact CG1-CG2 3.53Å
449E94.9Very high95.2Very high109 Ų10929.8 Ų29.851%0.50916%0.16SC..Hα-helixtrans-63.8-39.1-177.4-78.5168.5-175.800112.8K445 A446 C452 A453K445-E449 VanDerWaalsContact O-CG 3.29Å; K445-E449 WeakPolarHBondContact O-CG 3.46Å; K445-E449 PolarHBondContact O-N 3.46Å; A446-E449 PolarHBondContact O-N 2.64Å; E449-C452 PolarHBondContact O-N 3.33Å; E449-A453 VanDerWaalsContact O-CB 3.32Å; E449-A453 WeakPolarHBondContact O-CB 3.4Å; E449-A453 PolarHBondContact O-N 2.84Å
450V94.9Very high95.4Very high27 Ų2736.9 Ų36.916%0.16418%0.18CC..Hα-helixtrans-59-56.3178.5177.60000112.6A411 D412 A415 A446 V448 C452 A453 L454A411-V450 HydrophobicContact CB-CG1 4.22Å; A411-V450 HydrophobicContact CB-CG2 4.39Å; D412-V450 HydrophobicContact CB-CG1 4.2Å; A415-V450 HydrophobicContact CB-CG2 4.14Å; A446-V450 PolarHBondContact O-N 2.83Å; V448-V450 PolarHBondContact O-N 2.98Å; V450-C452 PolarHBondContact O-N 2.82Å; V450-A453 PolarHBondContact O-N 2.86Å; V450-L454 PolarHBondContact O-N 3.37Å
451P96.8Very high95.7Very high3 Ų335.9 Ų35.92%0.01918%0.176CC..Hα-helixtrans-67.2-31.2177.524.4-33.1000113.2A447 V448 L454 A455 A494 N497 V498A447-P451 WeakPolarHBondContact O-CD 3.34Å; A447-P451 WeakPolarHBondContact O-CG 3.45Å; V448-P451 VanDerWaalsContact O-CD 3.29Å; V448-P451 WeakPolarHBondContact O-CD 3.19Å; V448-P451 WeakPolarHBondContact O-CG 3.4Å; P451-L454 WeakPolarHBondContact O-CB 3.45Å; P451-L454 PolarHBondContact O-N 2.8Å; P451-A455 PolarHBondContact O-N 3.16Å; P451-A494 HydrophobicContact CB-CB 3.9Å; P451-A494 VanDerWaalsContact O-CB 3.24Å; P451-A494 WeakPolarHBondContact O-CB 3.38Å; P451-N497 HydrophobicContact CB-CB 4.18Å; P451-N497 HydrophobicContact CG-CB 4.25Å; P451-V498 HydrophobicContact CB-CG2 3.92Å; P451-V498 HydrophobicContact CG-CG2 3.7Å
452C97.2Very high95.9Very high11 Ų1134.9 Ų34.97%0.07417%0.171CC..Hα-helixtrans-60.5-48.5170.5-830000111.8V448 E449 V450 L454 A455 E456 V498 T514V448-C452 WeakPolarHBondContact O-CB 3.2Å; V448-C452 PolarHBondContact O-N 2.94Å; V448-C452 VanDerWaalsContact O-N 3.15Å; E449-C452 PolarHBondContact O-N 3.33Å; V450-C452 PolarHBondContact O-N 2.82Å; C452-L454 VanDerWaalsContact C-N 3.29Å; C452-L454 PolarHBondContact O-N 3.33Å; C452-A455 PolarHBondContact O-N 2.73Å; C452-E456 WeakPolarHBondContact O-CG 3.23Å; C452-E456 PolarHBondContact O-N 2.69Å; C452-V498 VanDerWaalsContact SG-CG2 3.5Å; C452-T514 WeakPolarHBondContact SG-CG2 3.26Å
453A97.8Very high96.2Very high32 Ų3232.2 Ų32.226%0.26417%0.166SC..Hα-helixtrans-63-35.9177.800000112M408 E449 V450 E456 K457M408-A453 HydrophobicContact CE-CB 3.5Å; M408-A453 VanDerWaalsContact CE-CB 3.5Å; E449-A453 VanDerWaalsContact O-CB 3.32Å; E449-A453 WeakPolarHBondContact O-CB 3.4Å; E449-A453 PolarHBondContact O-N 2.84Å; V450-A453 PolarHBondContact O-N 2.86Å; A453-E456 PolarHBondContact O-N 3.47Å; A453-K457 WeakPolarHBondContact O-CB 3.44Å; A453-K457 VanDerWaalsContact O-CG 3.28Å; A453-K457 WeakPolarHBondContact O-CG 3.32Å; A453-K457 PolarHBondContact O-N 2.91Å
454L98.3Very high96.5Very high4 Ų432.7 Ų32.72%0.02117%0.17CC..Hα-helixtrans-58.1-52.5172.7-178161.5000110.7A361 L405 M408 V450 P451 C452 E456 K457 V458 A494A361-L454 VanDerWaalsContact CA-CD1 3.42Å; A361-L454 HydrophobicContact CB-CD1 3.76Å; L405-L454 HydrophobicContact CD2-CG 3.92Å; M408-L454 HydrophobicContact CE-CB 4.38Å; M408-L454 HydrophobicContact SD-CB 3.94Å; M408-L454 HydrophobicContact SD-CG 4.46Å; V450-L454 PolarHBondContact O-N 3.37Å; P451-L454 WeakPolarHBondContact O-CB 3.45Å; P451-L454 PolarHBondContact O-N 2.8Å; C452-L454 VanDerWaalsContact C-N 3.29Å; C452-L454 PolarHBondContact O-N 3.33Å; L454-E456 VanDerWaalsContact C-N 3.31Å; L454-E456 PolarHBondContact O-N 3.48Å; L454-K457 PolarHBondContact O-N 3.47Å; L454-V458 HydrophobicContact CD2-CG2 4.03Å; L454-V458 WeakPolarHBondContact O-CG2 3.47Å; L454-V458 PolarHBondContact O-N 3.39Å; L454-A494 HydrophobicContact CD2-CB 3.97Å
455A98.6Very high96.8Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-60.6-40.8-179.400000112.1P451 C452 N459 V491 A494 I518 L521P451-A455 PolarHBondContact O-N 3.16Å; C452-A455 PolarHBondContact O-N 2.73Å; A455-N459 WeakPolarHBondContact O-CB 3.41Å; A455-N459 PolarHBondContact O-N 2.86Å; A455-V491 HydrophobicContact CB-CG1 4.08Å; A455-A494 HydrophobicContact CB-CB 4.13Å; A455-I518 HydrophobicContact CB-CD1 3.52Å; A455-L521 HydrophobicContact CB-CB 4.29Å; A455-L521 HydrophobicContact CB-CD1 3.83Å
456E98.3Very high96.9Very high48 Ų4834.7 Ų34.722%0.22418%0.178CC..Hα-helixtrans-63.7-43.8175.7-71.5171.2-137.400112.8C452 A453 L454 N459 R460 K517 L521C452-E456 WeakPolarHBondContact O-CG 3.23Å; C452-E456 PolarHBondContact O-N 2.69Å; A453-E456 PolarHBondContact O-N 3.47Å; L454-E456 VanDerWaalsContact C-N 3.31Å; L454-E456 PolarHBondContact O-N 3.48Å; E456-N459 PolarHBondContact O-N 3.31Å; E456-R460 WeakPolarHBondContact O-CG 3.37Å; E456-R460 PolarHBondContact O-N 3.34Å; E456-K517 VanDerWaalsContact CD-CE 3.49Å; E456-K517 WeakPolarHBondContact OE1-CE 3.41Å; E456-K517 IonicContact OE1-NZ 3.9Å; E456-K517 PolarHBondContact OE1-NZ 3.48Å; E456-K517 IonicContact OE2-NZ 3.77Å; E456-K517 PolarHBondContact OE2-NZ 3.12Å; E456-L521 HydrophobicContact CG-CD1 3.69Å; E456-L521 HydrophobicContact CG-CD2 4.4Å
457K98.3Very high97.3Very high50 Ų5036 Ų3622%0.21718%0.179CC..Hα-helixtrans-63.7-45.7178.2-76.8176.2-178-680111.2E404 M408 A453 L454 N459 R460E404-K457 HydrophobicContact CB-CD 4.41Å; E404-K457 IonicContact OE1-NZ 3.27Å; E404-K457 IonicContact OE2-NZ 2.56Å; E404-K457 PolarHBondContact OE2-NZ 3.23Å; M408-K457 HydrophobicContact CE-CD 3.88Å; M408-K457 HydrophobicContact SD-CD 3.98Å; A453-K457 WeakPolarHBondContact O-CB 3.44Å; A453-K457 VanDerWaalsContact O-CG 3.28Å; A453-K457 WeakPolarHBondContact O-CG 3.32Å; A453-K457 PolarHBondContact O-N 2.91Å; L454-K457 PolarHBondContact O-N 3.47Å; K457-N459 VanDerWaalsContact C-N 3.34Å; K457-N459 PolarHBondContact O-N 2.78Å; K457-R460 PolarHBondContact O-N 3.39Å
458V98.6Very high97.6Very high0 Ų035.7 Ų35.70%018%0.175CC..Hα-helixtrans-61-43.9176.9171.10000111L405 L454 R460 L461 W462 L487 V491L405-V458 HydrophobicContact CD1-CG2 4.29Å; L405-V458 HydrophobicContact CD2-CG2 4.16Å; L454-V458 HydrophobicContact CD2-CG2 4.03Å; L454-V458 WeakPolarHBondContact O-CG2 3.47Å; L454-V458 PolarHBondContact O-N 3.39Å; V458-R460 PolarHBondContact O-N 2.99Å; V458-L461 VanDerWaalsContact O-CB 3.28Å; V458-L461 WeakPolarHBondContact O-CB 3.41Å; V458-L461 PolarHBondContact O-N 3.28Å; V458-W462 HydrophobicContact CG1-CZ2 4.23Å; V458-L487 HydrophobicContact CG1-CB 3.78Å; V458-L487 HydrophobicContact CG1-CD2 3.94Å; V458-L487 HydrophobicContact CG1-CG 4.38Å; V458-L487 HydrophobicContact CG2-CD2 4.23Å; V458-V491 HydrophobicContact CB-CG2 3.78Å; V458-V491 HydrophobicContact CG1-CG2 3.47Å; V458-V491 VanDerWaalsContact CG1-CG2 3.47Å; V458-V491 HydrophobicContact CG2-CG2 4.49Å
459N98.6Very high97.6Very high6 Ų635.6 Ų35.63%0.03218%0.175CC..Hα-helixtrans-66.1-26.1-177.4-8115.6000114.1A455 E456 K457 L461 W462 L521 E524A455-N459 WeakPolarHBondContact O-CB 3.41Å; A455-N459 PolarHBondContact O-N 2.86Å; E456-N459 PolarHBondContact O-N 3.31Å; K457-N459 VanDerWaalsContact C-N 3.34Å; K457-N459 PolarHBondContact O-N 2.78Å; N459-L461 PolarHBondContact O-N 2.88Å; N459-W462 VanDerWaalsContact CA-CD1 3.43Å; N459-W462 PolarHBondContact O-N 3.28Å; N459-W462 PolarHBondContact OD1-NE1 2.58Å; N459-L521 HydrophobicContact CB-CD2 4.05Å; N459-L521 VanDerWaalsContact ND2-CA 3.29Å; N459-L521 WeakPolarHBondContact ND2-CA 3.22Å; N459-L521 VanDerWaalsContact ND2-CD2 3.29Å; N459-L521 WeakPolarHBondContact ND2-CD2 3.16Å; N459-L521 PolarHBondContact ND2-O 2.84Å; N459-E524 PolarHBondContact ND2-OE2 2.95Å
460R98.4Very high97.7Very high177 Ų17733.4 Ų33.467%0.66817%0.171SC*.THydrogen-bonded Turntrans-64.7-18.8172-67.9169.9-169.3-176.93.5113.3E456 K457 V458E456-R460 WeakPolarHBondContact O-CG 3.37Å; E456-R460 PolarHBondContact O-N 3.34Å; K457-R460 PolarHBondContact O-N 3.39Å; V458-R460 PolarHBondContact O-N 2.99Å
461L98.5Very high97.6Very high6 Ų635.3 Ų35.33%0.03118%0.178CC..THydrogen-bonded Turntrans-83.5-20.8-179.8-57.8178.4000113.4A368 P397 F398 A401 V458 N459 A464 L465 L487A368-L461 HydrophobicContact CB-CD1 4.1Å; P397-L461 HydrophobicContact CB-CD2 4.14Å; P397-L461 WeakPolarHBondContact O-CD2 3.37Å; F398-L461 HydrophobicContact CD1-CB 4.47Å; F398-L461 HydrophobicContact CD1-CD1 4.12Å; F398-L461 HydrophobicContact CD1-CD2 4.18Å; F398-L461 HydrophobicContact CE1-CB 3.9Å; F398-L461 HydrophobicContact CE1-CD1 4.28Å; F398-L461 HydrophobicContact CE1-CD2 4.34Å; F398-L461 HydrophobicContact CE1-CG 4.41Å; A401-L461 HydrophobicContact CB-CD1 3.75Å; A401-L461 HydrophobicContact CB-CD2 3.78Å; A401-L461 HydrophobicContact CB-CG 4.2Å; V458-L461 VanDerWaalsContact O-CB 3.28Å; V458-L461 WeakPolarHBondContact O-CB 3.41Å; V458-L461 PolarHBondContact O-N 3.28Å; N459-L461 PolarHBondContact O-N 2.88Å; L461-A464 PolarHBondContact O-N 2.94Å; L461-L465 WeakPolarHBondContact O-CB 3.48Å; L461-L465 PolarHBondContact O-N 2.8Å; L461-L487 HydrophobicContact CD1-CD1 4.4Å; L461-L487 HydrophobicContact CD1-CD2 4.03Å
462W98.4Very high97.4Very high6 Ų635.2 Ų35.22%0.02318%0.177CC..Hα-helixtrans-57.7-42.8-174.3-66.3128.2000114.5V458 N459 A464 L465 K466 A484 L487 E488 A525 S528V458-W462 HydrophobicContact CG1-CZ2 4.23Å; N459-W462 VanDerWaalsContact CA-CD1 3.43Å; N459-W462 PolarHBondContact O-N 3.28Å; N459-W462 PolarHBondContact OD1-NE1 2.58Å; W462-A464 PolarHBondContact O-N 3.24Å; W462-L465 HydrophobicContact CE3-CD2 3.79Å; W462-L465 HydrophobicContact CZ3-CD2 3.6Å; W462-L465 PolarHBondContact O-N 3.33Å; W462-K466 WeakPolarHBondContact O-CB 3.25Å; W462-K466 PolarHBondContact O-N 3.44Å; W462-A484 WeakPolarHBondContact CH2-O 3.29Å; W462-A484 HydrophobicContact CZ3-CB 4.46Å; W462-L487 HydrophobicContact CH2-CB 3.62Å; W462-L487 HydrophobicContact CZ2-CB 4.01Å; W462-L487 HydrophobicContact CZ3-CB 4.3Å; W462-L487 HydrophobicContact CZ3-CD1 4.5Å; W462-E488 HydrophobicContact CH2-CB 4.13Å; W462-E488 HydrophobicContact CZ2-CB 4.34Å; W462-A525 HydrophobicContact CZ2-CB 3.84Å; W462-S528 VanDerWaalsContact CD2-CB 3.41Å
463P98.1Very high97.3Very high88 Ų8836 Ų3657%0.57118%0.181SC*.Hα-helixtrans-60.8-46.2176.8-24.435.6000112.3L465 K466 E467P463-L465 VanDerWaalsContact C-N 3.33Å; P463-L465 PolarHBondContact O-N 2.81Å; P463-K466 PolarHBondContact O-N 2.59Å; P463-E467 PolarHBondContact O-N 2.72Å
464A98Very high97.2Very high13 Ų1337.8 Ų37.811%0.10719%0.185CC..Hα-helixtrans-65.8-36.8178.200000111.6L394 F398 L461 W462 E467 M468L394-A464 HydrophobicContact CD2-CB 4.11Å; F398-A464 HydrophobicContact CE2-CB 3.96Å; F398-A464 HydrophobicContact CZ-CB 4.09Å; L461-A464 PolarHBondContact O-N 2.94Å; W462-A464 PolarHBondContact O-N 3.24Å; A464-E467 PolarHBondContact O-N 3.03Å; A464-M468 VanDerWaalsContact O-CB 3.25Å; A464-M468 WeakPolarHBondContact O-CB 3.25Å; A464-M468 PolarHBondContact O-N 2.88Å
465L98Very high97Very high1 Ų141.4 Ų41.41%0.00522%0.216CC..Hα-helixtrans-69.5-38.4179.2-166.966.2000111.9F398 L461 W462 P463 M468 A469 I480 A484 L487 V532F398-L465 HydrophobicContact CE1-CB 4.19Å; F398-L465 HydrophobicContact CE1-CD1 3.85Å; F398-L465 HydrophobicContact CZ-CB 3.71Å; F398-L465 HydrophobicContact CZ-CD1 3.66Å; F398-L465 HydrophobicContact CZ-CG 4.29Å; L461-L465 WeakPolarHBondContact O-CB 3.48Å; L461-L465 PolarHBondContact O-N 2.8Å; W462-L465 HydrophobicContact CE3-CD2 3.79Å; W462-L465 HydrophobicContact CZ3-CD2 3.6Å; W462-L465 PolarHBondContact O-N 3.33Å; P463-L465 VanDerWaalsContact C-N 3.33Å; P463-L465 PolarHBondContact O-N 2.81Å; L465-M468 PolarHBondContact O-N 3.3Å; L465-A469 WeakPolarHBondContact O-CB 3.42Å; L465-A469 PolarHBondContact O-N 3.14Å; L465-I480 HydrophobicContact CD1-CD1 4.04Å; L465-I480 HydrophobicContact CD1-CG1 3.92Å; L465-A484 HydrophobicContact CD2-CB 3.79Å; L465-L487 HydrophobicContact CD2-CD1 3.88Å; L465-V532 HydrophobicContact CD2-CG1 4.41Å; L465-V532 HydrophobicContact CD2-CG2 4.32Å; L465-V532 HydrophobicContact CG-CG1 4.34Å; L465-V532 HydrophobicContact CG-CG2 4.31Å
466K97.5Very high96.9Very high103 Ų10341.7 Ų41.745%0.44822%0.218SC..Hα-helixtrans-64.3-43.8174.3-173.7-176.2177.1-175.20111.4W462 P463 A469 C470 V532W462-K466 WeakPolarHBondContact O-CB 3.25Å; W462-K466 PolarHBondContact O-N 3.44Å; P463-K466 PolarHBondContact O-N 2.59Å; K466-A469 PolarHBondContact O-N 3.14Å; K466-C470 PolarHBondContact O-N 2.75Å; K466-V532 HydrophobicContact CB-CG2 4.21Å
467E97.6Very high96.8Very high64 Ų6441.6 Ų41.630%0.29922%0.217SC..Hα-helixtrans-65.2-43.1174.6-161.3178.9153.700110.5K393 L394 P463 A464 A469 C470 H471K393-E467 IonicContact NZ-OE1 2.77Å; K393-E467 PolarHBondContact NZ-OE1 2.98Å; K393-E467 IonicContact NZ-OE2 3.61Å; K393-E467 PolarHBondContact NZ-OE2 2.82Å; L394-E467 HydrophobicContact CD1-CB 4.06Å; L394-E467 HydrophobicContact CD1-CG 3.99Å; L394-E467 HydrophobicContact CD2-CB 3.87Å; L394-E467 HydrophobicContact CD2-CG 4.06Å; P463-E467 PolarHBondContact O-N 2.72Å; A464-E467 PolarHBondContact O-N 3.03Å; E467-A469 VanDerWaalsContact C-N 3.3Å; E467-A469 PolarHBondContact O-N 2.87Å; E467-C470 WeakPolarHBondContact O-CB 3.46Å; E467-C470 PolarHBondContact O-N 2.93Å; E467-H471 PolarHBondContact O-CD2 2.76Å; E467-H471 PolarHBondContact O-N 2.81Å
468M97.3Very high96.7Very high0 Ų042.3 Ų42.30%023%0.228CC..Hα-helixtrans-57.1-43.8175.7-17169.580.300111.4V374 G375 M391 L394 I395 F398 A464 L465 C470 H471 C472 I480V374-M468 HydrophobicContact CG1-CG 4.26Å; G375-M468 VanDerWaalsContact CA-SD 3.59Å; M391-M468 HydrophobicContact CE-SD 4.23Å; M391-M468 HydrophobicContact SD-CE 4.43Å; M391-M468 HydrophobicContact SD-SD 3.75Å; L394-M468 HydrophobicContact CB-CE 3.54Å; L394-M468 HydrophobicContact CB-SD 4.39Å; L394-M468 HydrophobicContact CD1-CB 4.27Å; L394-M468 HydrophobicContact CD1-CE 4.41Å; L394-M468 HydrophobicContact CD1-SD 4.25Å; I395-M468 HydrophobicContact CG1-CE 4.42Å; F398-M468 HydrophobicContact CD2-CE 4.25Å; F398-M468 HydrophobicContact CE2-CE 4.1Å; A464-M468 VanDerWaalsContact O-CB 3.25Å; A464-M468 WeakPolarHBondContact O-CB 3.25Å; A464-M468 PolarHBondContact O-N 2.88Å; L465-M468 PolarHBondContact O-N 3.3Å; M468-C470 PolarHBondContact O-N 2.79Å; M468-H471 PolarHBondContact O-N 3.04Å; M468-C472 HydrophobicContact CG-CB 4.22Å; M468-C472 VanDerWaalsContact O-CB 3.22Å; M468-C472 WeakPolarHBondContact O-CB 3.23Å; M468-C472 PolarHBondContact O-N 2.96Å; M468-C472 HydrophobicContact SD-CB 4.38Å; M468-I480 HydrophobicContact CB-CD1 4.21Å; M468-I480 HydrophobicContact CG-CD1 3.93Å
469A96.6Very high96.7Very high0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-60.5-25.8177.100000113.7L465 K466 E467 I480 V532 A535 L536 R539L465-A469 WeakPolarHBondContact O-CB 3.42Å; L465-A469 PolarHBondContact O-N 3.14Å; K466-A469 PolarHBondContact O-N 3.14Å; E467-A469 VanDerWaalsContact C-N 3.3Å; E467-A469 PolarHBondContact O-N 2.87Å; A469-I480 HydrophobicContact CB-CD1 4.06Å; A469-V532 HydrophobicContact CB-CG1 4.17Å; A469-A535 HydrophobicContact CB-CB 4.38Å; A469-L536 HydrophobicContact CB-CD1 4.42Å; A469-L536 HydrophobicContact CB-CD2 3.81Å; A469-L536 HydrophobicContact CB-CG 3.85Å; A469-R539 WeakPolarHBondContact O-CD 3.13Å; A469-R539 PolarHBondContact O-NH1 2.71Å
470C95.2Very high96.6Very high62 Ų6244.1 Ų44.142%0.41924%0.238SC..Hα-helixtrans-77.2-28175.4-68.60000113.4K466 E467 M468 R539K466-C470 PolarHBondContact O-N 2.75Å; E467-C470 WeakPolarHBondContact O-CB 3.46Å; E467-C470 PolarHBondContact O-N 2.93Å; M468-C470 PolarHBondContact O-N 2.79Å; C470-R539 PolarHBondContact O-NE 3.4Å; C470-R539 VanDerWaalsContact O-NE 3.12Å; C470-R539 PolarHBondContact O-NH1 3.11Å
471H94.2Very high96.6Very high67 Ų6738.6 Ų38.631%0.3122%0.22SC..Hα-helixtrans-117.3-22.3-168.3-63.2-64.2000114.8L387 V390 M391 E467 M468L387-H471 HydrophobicContact CD1-CB 4.42Å; L387-H471 VanDerWaalsContact CD1-O 3.31Å; L387-H471 WeakPolarHBondContact CD1-O 3.39Å; L387-H471 HydrophobicContact CD2-CB 4.22Å; V390-H471 HydrophobicContact CG1-CB 4.45Å; M391-H471 HydrophobicContact CE-CB 3.65Å; E467-H471 PolarHBondContact O-CD2 2.76Å; E467-H471 PolarHBondContact O-N 2.81Å; M468-H471 PolarHBondContact O-N 3.04Å
472C93.1Very high96.6Very high1 Ų141.7 Ų41.71%0.00724%0.239CC..SBendtrans-61.7159.5-17171.20000113.4V374 S378 M468 L474 R539V374-C472 HydrophobicContact CG1-CB 3.35Å; S378-C472 WeakPolarHBondContact OG-CA 3.43Å; M468-C472 HydrophobicContact CG-CB 4.22Å; M468-C472 VanDerWaalsContact O-CB 3.22Å; M468-C472 WeakPolarHBondContact O-CB 3.23Å; M468-C472 PolarHBondContact O-N 2.96Å; M468-C472 HydrophobicContact SD-CB 4.38Å; C472-L474 PolarHBondContact O-N 2.67Å; C472-R539 PolarHBondContact O-NH1 2.94Å; C472-R539 PolarHBondContact O-NH2 3.37Å
473N94.9Very high96.6Very high28 Ų2841.5 Ų41.515%0.1524%0.238CC..  trans-55.7117.8167.9-178.53.3000110.5S378 F384 A475 C476S378-N473 PolarHBondContact OG-N 3.23Å; F384-N473 HydrophobicContact CE1-CB 4.37Å; F384-N473 HydrophobicContact CE2-CB 4.13Å; F384-N473 HydrophobicContact CZ-CB 3.63Å; N473-A475 PolarHBondContact O-N 2.96Å; N473-A475 WeakPolarHBondContact OD1-CB 2.99Å; N473-A475 PolarHBondContact OD1-N 3.1Å; N473-C476 PolarHBondContact O-N 2.95Å
474L94Very high96.6Very high69 Ų6937.3 Ų37.336%0.36121%0.211SC..G310 helixtrans-65.8-19.4-179.5-73.1177.8000113.4C472 C476 K477 R539C472-L474 PolarHBondContact O-N 2.67Å; L474-C476 PolarHBondContact O-N 3.31Å; L474-K477 WeakPolarHBondContact O-CB 3.48Å; L474-K477 PolarHBondContact O-N 2.89Å; L474-R539 HydrophobicContact CD1-CB 4.45Å; L474-R539 HydrophobicContact CD2-CB 3.96Å
475A95.2Very high96.7Very high80 Ų8041.9 Ų41.966%0.66123%0.228SC*.G310 helixtrans-61.4-23.517100000112.4N473N473-A475 PolarHBondContact O-N 2.96Å; N473-A475 WeakPolarHBondContact OD1-CB 2.99Å; N473-A475 PolarHBondContact OD1-N 3.1Å
476C95.4Very high96.7Very high6 Ų644.3 Ų44.34%0.04124%0.24CC..G310 helixtrans-99.120176.3-56.70000112.5V374 N473 L474 S478 D479 I480V374-C476 HydrophobicContact CG1-CB 4.38Å; V374-C476 HydrophobicContact CG2-CB 3.92Å; N473-C476 PolarHBondContact O-N 2.95Å; L474-C476 PolarHBondContact O-N 3.31Å; C476-S478 VanDerWaalsContact C-N 3.3Å; C476-S478 PolarHBondContact O-N 2.75Å; C476-D479 WeakPolarHBondContact CA-OD2 3.02Å; C476-D479 HydrophobicContact CB-CB 4.35Å; C476-D479 WeakPolarHBondContact CB-OD2 3.32Å; C476-D479 WeakPolarHBondContact O-CB 3.48Å; C476-D479 PolarHBondContact O-N 3.34Å; C476-D479 VanDerWaalsContact O-N 3.09Å; C476-I480 PolarHBondContact O-N 2.77Å
477K96.4Very high96.8Very high46 Ų4639.4 Ų39.420%0.222%0.219CC..Hα-helixtrans-56.2-43.7-179.7177.5177.8173.9175.30111.9L474 D479 I480 Q481 L536 A540L474-K477 WeakPolarHBondContact O-CB 3.48Å; L474-K477 PolarHBondContact O-N 2.89Å; K477-D479 VanDerWaalsContact C-N 3.26Å; K477-D479 PolarHBondContact O-N 3.28Å; K477-I480 WeakPolarHBondContact O-CG2 3.18Å; K477-I480 PolarHBondContact O-N 3.27Å; K477-Q481 HydrophobicContact CG-CG 4.4Å; K477-Q481 WeakPolarHBondContact O-CG 3.4Å; K477-Q481 PolarHBondContact O-N 3.18Å; K477-Q481 VanDerWaalsContact O-N 3.09Å; K477-Q481 PolarHBondContact O-OE1 2.89Å; K477-L536 WeakPolarHBondContact CE-O 3.42Å; K477-L536 PolarHBondContact NZ-O 2.88Å; K477-A540 HydrophobicContact CD-CB 4.28Å
478S97.1Very high96.8Very high66 Ų6637 Ų3746%0.46221%0.208SC..Hα-helixtrans-59.3-40.4177.150.30000111.9C476 Q481 V482C476-S478 VanDerWaalsContact C-N 3.3Å; C476-S478 PolarHBondContact O-N 2.75Å; S478-Q481 PolarHBondContact O-N 3.33Å; S478-V482 WeakPolarHBondContact O-CG2 3.33Å; S478-V482 PolarHBondContact O-N 3.24Å
479D98.2Very high96.9Very high44 Ų4439 Ų3924%0.23522%0.224CC..Hα-helixtrans-66.8-45-175.2-53.9-38.5000110.9L370 V374 C476 K477 V482 G483L370-D479 HydrophobicContact CD2-CB 4.18Å; V374-D479 HydrophobicContact CG2-CB 3.79Å; C476-D479 WeakPolarHBondContact CA-OD2 3.02Å; C476-D479 HydrophobicContact CB-CB 4.35Å; C476-D479 WeakPolarHBondContact CB-OD2 3.32Å; C476-D479 WeakPolarHBondContact O-CB 3.48Å; C476-D479 PolarHBondContact O-N 3.34Å; C476-D479 VanDerWaalsContact O-N 3.09Å; K477-D479 VanDerWaalsContact C-N 3.26Å; K477-D479 PolarHBondContact O-N 3.28Å; D479-V482 PolarHBondContact O-N 3.13Å; D479-G483 PolarHBondContact O-N 3.14Å
480I97Very high97Very high0 Ų039 Ų390%022%0.224CC..Hα-helixtrans-70.3-32.3176.9-169.9166.7000112.5V374 L465 M468 A469 C476 K477 G483 A484 L536V374-I480 HydrophobicContact CG1-CB 4.31Å; V374-I480 HydrophobicContact CG1-CD1 4.35Å; V374-I480 HydrophobicContact CG2-CB 4.09Å; L465-I480 HydrophobicContact CD1-CD1 4.04Å; L465-I480 HydrophobicContact CD1-CG1 3.92Å; M468-I480 HydrophobicContact CB-CD1 4.21Å; M468-I480 HydrophobicContact CG-CD1 3.93Å; A469-I480 HydrophobicContact CB-CD1 4.06Å; C476-I480 PolarHBondContact O-N 2.77Å; K477-I480 WeakPolarHBondContact O-CG2 3.18Å; K477-I480 PolarHBondContact O-N 3.27Å; I480-G483 PolarHBondContact O-N 3.47Å; I480-A484 WeakPolarHBondContact O-CB 3.47Å; I480-A484 PolarHBondContact O-N 3Å; I480-L536 HydrophobicContact CG1-CD1 4.4Å; I480-L536 HydrophobicContact CG2-CD1 3.56Å; I480-L536 HydrophobicContact CG2-CD2 3.69Å; I480-L536 HydrophobicContact CG2-CG 4.29Å
481Q98.4Very high97.2Very high61 Ų6136 Ų3629%0.28520%0.204SC..Hα-helixtrans-64.4-46.2174.3-72.7175.3-51.100111.3K477 S478 K485 L533 L536K477-Q481 HydrophobicContact CG-CG 4.4Å; K477-Q481 WeakPolarHBondContact O-CG 3.4Å; K477-Q481 PolarHBondContact O-N 3.18Å; K477-Q481 VanDerWaalsContact O-N 3.09Å; K477-Q481 PolarHBondContact O-OE1 2.89Å; S478-Q481 PolarHBondContact O-N 3.33Å; Q481-K485 PolarHBondContact O-N 3.3Å; Q481-K485 VanDerWaalsContact O-N 3.09Å; Q481-L533 HydrophobicContact CB-CD2 4.03Å; Q481-L533 HydrophobicContact CG-CD2 3.77Å; Q481-L536 HydrophobicContact CG-CD1 3.79Å
482V98.6Very high97.4Very high71 Ų7137.6 Ų37.643%0.4321%0.21SC..Hα-helixtrans-64.2-45.3175.4173.90000110.2L370 S478 D479 A484 K485 M486L370-V482 HydrophobicContact CD1-CB 4.15Å; L370-V482 HydrophobicContact CD1-CG1 3.78Å; S478-V482 WeakPolarHBondContact O-CG2 3.33Å; S478-V482 PolarHBondContact O-N 3.24Å; D479-V482 PolarHBondContact O-N 3.13Å; V482-A484 PolarHBondContact O-N 2.81Å; V482-K485 PolarHBondContact O-N 2.92Å; V482-K485 VanDerWaalsContact O-N 3.14Å; V482-M486 HydrophobicContact CG1-CE 3.71Å; V482-M486 HydrophobicContact CG1-CG 4.23Å; V482-M486 HydrophobicContact CG1-SD 4.04Å; V482-M486 WeakPolarHBondContact O-CG 3.47Å; V482-M486 PolarHBondContact O-N 2.93Å
483G98.4Very high97.6Very high1 Ų138 Ų381%0.0122%0.215CC..Hα-helixtrans-57.8-47.3178.200000112.8D479 I480 K485 M486 L487D479-G483 PolarHBondContact O-N 3.14Å; I480-G483 PolarHBondContact O-N 3.47Å; G483-K485 VanDerWaalsContact C-N 3.33Å; G483-K485 PolarHBondContact O-N 3.05Å; G483-M486 PolarHBondContact O-N 3.22Å; G483-L487 WeakPolarHBondContact O-CG 3.35Å; G483-L487 PolarHBondContact O-N 3.17Å
484A98.6Very high97.8Very high0 Ų036.7 Ų36.70%021%0.208CC..Hα-helixtrans-59.1-43.6175.200000111.9W462 L465 I480 V482 L487 E488 L529 V532W462-A484 WeakPolarHBondContact CH2-O 3.29Å; W462-A484 HydrophobicContact CZ3-CB 4.46Å; L465-A484 HydrophobicContact CD2-CB 3.79Å; I480-A484 WeakPolarHBondContact O-CB 3.47Å; I480-A484 PolarHBondContact O-N 3Å; V482-A484 PolarHBondContact O-N 2.81Å; A484-L487 PolarHBondContact O-N 3.22Å; A484-E488 PolarHBondContact O-N 3.31Å; A484-E488 VanDerWaalsContact O-N 3.16Å; A484-L529 HydrophobicContact CB-CD1 3.67Å; A484-V532 HydrophobicContact CB-CG1 3.96Å
485K98.8Very high98Very high109 Ų10935.8 Ų35.847%0.47420%0.2SC..Hα-helixtrans-68-37179.5-171.457.8177.5164.40112.4Q481 V482 G483 E488 A489 L529Q481-K485 PolarHBondContact O-N 3.3Å; Q481-K485 VanDerWaalsContact O-N 3.09Å; V482-K485 PolarHBondContact O-N 2.92Å; V482-K485 VanDerWaalsContact O-N 3.14Å; G483-K485 VanDerWaalsContact C-N 3.33Å; G483-K485 PolarHBondContact O-N 3.05Å; K485-E488 IonicContact NZ-OE2 3.41Å; K485-E488 PolarHBondContact NZ-OE2 3.43Å; K485-E488 PolarHBondContact O-N 3.15Å; K485-A489 WeakPolarHBondContact O-CB 3.44Å; K485-A489 PolarHBondContact O-N 3.38Å; K485-L529 HydrophobicContact CD-CD2 3.66Å
486M98.7Very high98.1Very high52 Ų5237 Ų3726%0.25619%0.191SC..Hα-helixtrans-64.8-42.5175.4-75.6-175.2170.500112.1V363 L366 L370 V482 G483 E488 A489 G490V363-M486 HydrophobicContact CG1-CB 3.73Å; V363-M486 HydrophobicContact CG1-CG 3.88Å; L366-M486 HydrophobicContact CB-SD 3.8Å; L370-M486 HydrophobicContact CD1-SD 4.06Å; V482-M486 HydrophobicContact CG1-CE 3.71Å; V482-M486 HydrophobicContact CG1-CG 4.23Å; V482-M486 HydrophobicContact CG1-SD 4.04Å; V482-M486 WeakPolarHBondContact O-CG 3.47Å; V482-M486 PolarHBondContact O-N 2.93Å; G483-M486 PolarHBondContact O-N 3.22Å; M486-E488 PolarHBondContact O-N 3.3Å; M486-A489 PolarHBondContact O-N 3.17Å; M486-G490 PolarHBondContact O-N 2.82Å
487L98.8Very high98.1Very high0 Ų038.1 Ų38.10%020%0.197CC..Hα-helixtrans-59.7-46.7175.2-70.7173.1000111.3S364 A368 V458 L461 W462 L465 G483 A484 G490 V491S364-L487 WeakPolarHBondContact O-CD2 3.38Å; A368-L487 HydrophobicContact CB-CD2 4.43Å; V458-L487 HydrophobicContact CG1-CB 3.78Å; V458-L487 HydrophobicContact CG1-CD2 3.94Å; V458-L487 HydrophobicContact CG1-CG 4.38Å; V458-L487 HydrophobicContact CG2-CD2 4.23Å; L461-L487 HydrophobicContact CD1-CD1 4.4Å; L461-L487 HydrophobicContact CD1-CD2 4.03Å; W462-L487 HydrophobicContact CH2-CB 3.62Å; W462-L487 HydrophobicContact CZ2-CB 4.01Å; W462-L487 HydrophobicContact CZ3-CB 4.3Å; W462-L487 HydrophobicContact CZ3-CD1 4.5Å; L465-L487 HydrophobicContact CD2-CD1 3.88Å; G483-L487 WeakPolarHBondContact O-CG 3.35Å; G483-L487 PolarHBondContact O-N 3.17Å; A484-L487 PolarHBondContact O-N 3.22Å; L487-G490 PolarHBondContact O-N 2.89Å; L487-V491 PolarHBondContact O-N 2.96Å; L487-V491 VanDerWaalsContact O-N 3.13Å
488E98.8Very high98.2Very high15 Ų1536 Ų367%0.0719%0.187CC..Hα-helixtrans-63.1-44176.1-175.3-90157.100112.4W462 A484 K485 M486 G490 V491 F492 A525 L529W462-E488 HydrophobicContact CH2-CB 4.13Å; W462-E488 HydrophobicContact CZ2-CB 4.34Å; A484-E488 PolarHBondContact O-N 3.31Å; A484-E488 VanDerWaalsContact O-N 3.16Å; K485-E488 IonicContact NZ-OE2 3.41Å; K485-E488 PolarHBondContact NZ-OE2 3.43Å; K485-E488 PolarHBondContact O-N 3.15Å; M486-E488 PolarHBondContact O-N 3.3Å; E488-G490 VanDerWaalsContact C-N 3.25Å; E488-G490 PolarHBondContact O-N 2.73Å; E488-V491 PolarHBondContact O-N 3.44Å; E488-F492 WeakPolarHBondContact O-CB 3.22Å; E488-F492 PolarHBondContact O-N 2.87Å; E488-A525 HydrophobicContact CG-CB 4.36Å; E488-L529 HydrophobicContact CB-CB 4.34Å; E488-L529 HydrophobicContact CB-CD2 3.95Å; E488-L529 HydrophobicContact CG-CB 4.4Å; E488-L529 HydrophobicContact CG-CD2 3.89Å
489A98.7Very high98.2Very high41 Ų4135.3 Ų35.334%0.33918%0.177SC..Hα-helixtrans-61.7-33.7176.800000112.5V363 K485 M486 F492 G493V363-A489 HydrophobicContact CG1-CB 4.47Å; K485-A489 WeakPolarHBondContact O-CB 3.44Å; K485-A489 PolarHBondContact O-N 3.38Å; M486-A489 PolarHBondContact O-N 3.17Å; A489-F492 WeakPolarHBondContact O-CB 3.36Å; A489-F492 PolarHBondContact O-N 3.39Å; A489-G493 PolarHBondContact O-N 3.18Å
490G98.5Very high98Very high0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-68-41.3173.700000113.3S364 M486 L487 E488 F492 G493 A494S364-G490 WeakPolarHBondContact OG-CA 3.39Å; M486-G490 PolarHBondContact O-N 2.82Å; L487-G490 PolarHBondContact O-N 2.89Å; E488-G490 VanDerWaalsContact C-N 3.25Å; E488-G490 PolarHBondContact O-N 2.73Å; G490-F492 VanDerWaalsContact C-N 3.34Å; G490-G493 PolarHBondContact O-N 3.48Å; G490-A494 WeakPolarHBondContact O-CB 3.11Å; G490-A494 PolarHBondContact O-N 3.04Å
491V98.8Very high97.8Very high0 Ų038.6 Ų38.60%019%0.194CC..Hα-helixtrans-64.9-40.1172.7-179.70000111A455 V458 L487 E488 A494 Y495 L522 A525A455-V491 HydrophobicContact CB-CG1 4.08Å; V458-V491 HydrophobicContact CB-CG2 3.78Å; V458-V491 HydrophobicContact CG1-CG2 3.47Å; V458-V491 VanDerWaalsContact CG1-CG2 3.47Å; V458-V491 HydrophobicContact CG2-CG2 4.49Å; L487-V491 PolarHBondContact O-N 2.96Å; L487-V491 VanDerWaalsContact O-N 3.13Å; E488-V491 PolarHBondContact O-N 3.44Å; V491-A494 PolarHBondContact O-N 2.77Å; V491-Y495 WeakPolarHBondContact O-CB 3.45Å; V491-Y495 PolarHBondContact O-N 3.31Å; V491-L522 HydrophobicContact CG1-CB 4.34Å; V491-L522 HydrophobicContact CG1-CD1 4.23Å; V491-A525 HydrophobicContact CB-CB 4Å; V491-A525 HydrophobicContact CG1-CB 3.96Å; V491-A525 HydrophobicContact CG2-CB 4.06Å
492F98.8Very high97.7Very high99 Ų9936 Ų3643%0.43418%0.182SC..Hα-helixtrans-57.2-48.8172.5177.2-83.2000111E488 A489 G490 Y495 F496 L522E488-F492 WeakPolarHBondContact O-CB 3.22Å; E488-F492 PolarHBondContact O-N 2.87Å; A489-F492 WeakPolarHBondContact O-CB 3.36Å; A489-F492 PolarHBondContact O-N 3.39Å; G490-F492 VanDerWaalsContact C-N 3.34Å; F492-Y495 WeakPolarHBondContact O-CB 3.45Å; F492-Y495 PolarHBondContact O-N 3.09Å; F492-F496 AromaticContact CD1-CD2 3.83Å; F492-F496 HydrophobicContact CD1-CD2 3.83Å; F492-F496 AromaticContact CD1-CE2 3.81Å; F492-F496 HydrophobicContact CD1-CE2 3.81Å; F492-F496 AromaticContact CD2-CE2 3.77Å; F492-F496 HydrophobicContact CD2-CE2 3.77Å; F492-F496 AromaticContact CE1-CD2 3.6Å; F492-F496 HydrophobicContact CE1-CD2 3.6Å; F492-F496 AromaticContact CE1-CE2 3.4Å; F492-F496 HydrophobicContact CE1-CE2 3.4Å; F492-F496 VanDerWaalsContact CE1-CE2 3.4Å; F492-F496 HydrophobicContact CE1-CZ 4.48Å; F492-F496 HydrophobicContact CE2-CD2 4.35Å; F492-F496 AromaticContact CE2-CE2 3.38Å; F492-F496 HydrophobicContact CE2-CE2 3.38Å; F492-F496 HydrophobicContact CE2-CZ 4.08Å; F492-F496 HydrophobicContact CG-CD2 4.27Å; F492-F496 AromaticContact CG-CE2 3.97Å; F492-F496 HydrophobicContact CG-CE2 3.97Å; F492-F496 AromaticContact CZ-CD2 3.9Å; F492-F496 HydrophobicContact CZ-CD2 3.9Å; F492-F496 AromaticContact CZ-CE2 3.18Å; F492-F496 HydrophobicContact CZ-CE2 3.18Å; F492-F496 AromaticContact CZ-CZ 3.94Å; F492-F496 HydrophobicContact CZ-CZ 3.94Å; F492-F496 WeakPolarHBondContact O-CD2 3.49Å; F492-F496 PolarHBondContact O-N 3.05Å; F492-L522 HydrophobicContact CB-CD1 4.13Å
493G98.1Very high97.5Very high11 Ų1139.5 Ų39.511%0.11319%0.192CC..Hα-helixtrans-61.8-45.9176.500000112.5S360 A489 G490 Y495 F496 N497S360-G493 VanDerWaalsContact OG-CA 3.24Å; S360-G493 WeakPolarHBondContact OG-CA 3.24Å; A489-G493 PolarHBondContact O-N 3.18Å; G490-G493 PolarHBondContact O-N 3.48Å; G493-Y495 VanDerWaalsContact C-N 3.31Å; G493-Y495 PolarHBondContact O-N 2.89Å; G493-F496 PolarHBondContact O-N 3.43Å; G493-N497 PolarHBondContact O-N 2.87Å; G493-N497 PolarHBondContact O-ND2 3.26Å
494A98Very high97.2Very high0 Ų043.9 Ų43.90%022%0.215CC..Hα-helixtrans-56.4-44173.900000112.5P451 L454 A455 G490 V491 F496 N497 V498P451-A494 HydrophobicContact CB-CB 3.9Å; P451-A494 VanDerWaalsContact O-CB 3.24Å; P451-A494 WeakPolarHBondContact O-CB 3.38Å; L454-A494 HydrophobicContact CD2-CB 3.97Å; A455-A494 HydrophobicContact CB-CB 4.13Å; G490-A494 WeakPolarHBondContact O-CB 3.11Å; G490-A494 PolarHBondContact O-N 3.04Å; V491-A494 PolarHBondContact O-N 2.77Å; A494-F496 PolarHBondContact O-N 2.74Å; A494-N497 PolarHBondContact O-N 2.88Å; A494-V498 WeakPolarHBondContact O-CG2 3.46Å; A494-V498 PolarHBondContact O-N 3.17Å
495Y98.5Very high97Very high50 Ų5044 Ų4420%0.19622%0.216CC..Hα-helixtrans-53.9-51.9176172.1-90.1000112.2V491 F492 G493 N497 V498 M499 I518 L522V491-Y495 WeakPolarHBondContact O-CB 3.45Å; V491-Y495 PolarHBondContact O-N 3.31Å; F492-Y495 WeakPolarHBondContact O-CB 3.45Å; F492-Y495 PolarHBondContact O-N 3.09Å; G493-Y495 VanDerWaalsContact C-N 3.31Å; G493-Y495 PolarHBondContact O-N 2.89Å; Y495-N497 PolarHBondContact O-N 2.69Å; Y495-V498 PolarHBondContact O-N 3.22Å; Y495-M499 HydrophobicContact CD1-CG 4.22Å; Y495-M499 HydrophobicContact CD2-CG 4.24Å; Y495-M499 HydrophobicContact CE1-CG 3.83Å; Y495-M499 HydrophobicContact CE2-CG 3.85Å; Y495-M499 HydrophobicContact CE2-SD 4.26Å; Y495-M499 HydrophobicContact CG-CG 4.39Å; Y495-M499 WeakPolarHBondContact O-CB 3.46Å; Y495-M499 VanDerWaalsContact O-CG 3.26Å; Y495-M499 WeakPolarHBondContact O-CG 3.37Å; Y495-M499 PolarHBondContact O-N 3.18Å; Y495-I518 HydrophobicContact CD2-CB 4.49Å; Y495-I518 HydrophobicContact CD2-CG1 4.09Å; Y495-I518 HydrophobicContact CD2-CG2 3.9Å; Y495-I518 HydrophobicContact CE2-CG2 4.22Å; Y495-L522 HydrophobicContact CD1-CD2 3.91Å; Y495-L522 HydrophobicContact CD2-CB 4.27Å; Y495-L522 HydrophobicContact CD2-CD2 3.85Å; Y495-L522 HydrophobicContact CE1-CD2 4.36Å; Y495-L522 HydrophobicContact CE2-CD2 4.31Å; Y495-L522 HydrophobicContact CG-CD2 3.64Å
496F98.1Very high96.8Very high104 Ų10443.5 Ų43.546%0.45622%0.222SC..Hα-helixtrans-68.2-34.4-178.9-71.9-72.9000113F492 G493 A494 M499 I500F492-F496 AromaticContact CD1-CD2 3.83Å; F492-F496 HydrophobicContact CD1-CD2 3.83Å; F492-F496 AromaticContact CD1-CE2 3.81Å; F492-F496 HydrophobicContact CD1-CE2 3.81Å; F492-F496 AromaticContact CD2-CE2 3.77Å; F492-F496 HydrophobicContact CD2-CE2 3.77Å; F492-F496 AromaticContact CE1-CD2 3.6Å; F492-F496 HydrophobicContact CE1-CD2 3.6Å; F492-F496 AromaticContact CE1-CE2 3.4Å; F492-F496 HydrophobicContact CE1-CE2 3.4Å; F492-F496 VanDerWaalsContact CE1-CE2 3.4Å; F492-F496 HydrophobicContact CE1-CZ 4.48Å; F492-F496 HydrophobicContact CE2-CD2 4.35Å; F492-F496 AromaticContact CE2-CE2 3.38Å; F492-F496 HydrophobicContact CE2-CE2 3.38Å; F492-F496 HydrophobicContact CE2-CZ 4.08Å; F492-F496 HydrophobicContact CG-CD2 4.27Å; F492-F496 AromaticContact CG-CE2 3.97Å; F492-F496 HydrophobicContact CG-CE2 3.97Å; F492-F496 AromaticContact CZ-CD2 3.9Å; F492-F496 HydrophobicContact CZ-CD2 3.9Å; F492-F496 AromaticContact CZ-CE2 3.18Å; F492-F496 HydrophobicContact CZ-CE2 3.18Å; F492-F496 AromaticContact CZ-CZ 3.94Å; F492-F496 HydrophobicContact CZ-CZ 3.94Å; F492-F496 WeakPolarHBondContact O-CD2 3.49Å; F492-F496 PolarHBondContact O-N 3.05Å; G493-F496 PolarHBondContact O-N 3.43Å; A494-F496 PolarHBondContact O-N 2.74Å; F496-M499 PolarHBondContact O-N 3.3Å; F496-I500 WeakPolarHBondContact O-CG2 3.46Å; F496-I500 PolarHBondContact O-N 3.06Å
497N95.9Very high96.6Very high31 Ų3143.8 Ų43.817%0.16622%0.224CC..Hα-helixtrans-67.2-35.9174.9-76-79.3000112.1G357 P451 G493 A494 Y495 I500 N501G357-N497 PolarHBondContact N-ND2 2.97Å; G357-N497 PolarHBondContact N-OD1 2.95Å; P451-N497 HydrophobicContact CB-CB 4.18Å; P451-N497 HydrophobicContact CG-CB 4.25Å; G493-N497 PolarHBondContact O-N 2.87Å; G493-N497 PolarHBondContact O-ND2 3.26Å; A494-N497 PolarHBondContact O-N 2.88Å; Y495-N497 PolarHBondContact O-N 2.69Å; N497-I500 WeakPolarHBondContact O-CG2 3.19Å; N497-N501 PolarHBondContact O-ND2 2.83Å
498V96.8Very high96.4Very high0 Ų048.8 Ų48.80%025%0.247CC..Hα-helixtrans-66.8-52.3171.71700000110.1V448 P451 C452 A494 Y495 I500 N501 L502 T514 I518V448-V498 HydrophobicContact CG1-CG1 4.02Å; V448-V498 HydrophobicContact CG1-CG2 4.41Å; P451-V498 HydrophobicContact CB-CG2 3.92Å; P451-V498 HydrophobicContact CG-CG2 3.7Å; C452-V498 VanDerWaalsContact SG-CG2 3.5Å; A494-V498 WeakPolarHBondContact O-CG2 3.46Å; A494-V498 PolarHBondContact O-N 3.17Å; Y495-V498 PolarHBondContact O-N 3.22Å; V498-I500 VanDerWaalsContact C-N 3.3Å; V498-I500 PolarHBondContact O-N 3.11Å; V498-N501 PolarHBondContact O-N 2.9Å; V498-L502 HydrophobicContact CG1-CD1 3.73Å; V498-L502 HydrophobicContact CG1-CG 3.93Å; V498-L502 WeakPolarHBondContact O-CG 3.2Å; V498-L502 PolarHBondContact O-N 3.2Å; V498-T514 HydrophobicContact CG1-CG2 3.77Å; V498-I518 HydrophobicContact CB-CG1 4.1Å; V498-I518 HydrophobicContact CB-CG2 4.38Å; V498-I518 HydrophobicContact CG1-CB 4.23Å; V498-I518 HydrophobicContact CG1-CG1 4.32Å; V498-I518 HydrophobicContact CG1-CG2 3.86Å; V498-I518 HydrophobicContact CG2-CD1 4.2Å; V498-I518 HydrophobicContact CG2-CG1 4.03Å
499M97.3Very high96.3Very high53 Ų5356 Ų5626%0.26128%0.278SS..Hα-helixtrans-63.7-31.9-173.8-69-58-66.600113.5Y495 F496 L502 I518Y495-M499 HydrophobicContact CD1-CG 4.22Å; Y495-M499 HydrophobicContact CD2-CG 4.24Å; Y495-M499 HydrophobicContact CE1-CG 3.83Å; Y495-M499 HydrophobicContact CE2-CG 3.85Å; Y495-M499 HydrophobicContact CE2-SD 4.26Å; Y495-M499 HydrophobicContact CG-CG 4.39Å; Y495-M499 WeakPolarHBondContact O-CB 3.46Å; Y495-M499 VanDerWaalsContact O-CG 3.26Å; Y495-M499 WeakPolarHBondContact O-CG 3.37Å; Y495-M499 PolarHBondContact O-N 3.18Å; F496-M499 PolarHBondContact O-N 3.3Å; M499-L502 HydrophobicContact SD-CD1 4.24Å; M499-I518 HydrophobicContact SD-CG2 4.26Å
500I94.6Very high96.2Very high86 Ų8656.1 Ų56.144%0.44127%0.271SS..Hα-helixtrans-70.1-44175.9-168.563.7000111.6F496 N497 V498 K503F496-I500 WeakPolarHBondContact O-CG2 3.46Å; F496-I500 PolarHBondContact O-N 3.06Å; N497-I500 WeakPolarHBondContact O-CG2 3.19Å; V498-I500 VanDerWaalsContact C-N 3.3Å; V498-I500 PolarHBondContact O-N 3.11Å; I500-K503 HydrophobicContact CD1-CD 4.24Å; I500-K503 WeakPolarHBondContact O-CB 3.4Å; I500-K503 PolarHBondContact O-N 2.94Å
501N93.6Very high96.1Very high26 Ų2658.1 Ų58.114%0.13928%0.28CS..Hα-helixtrans-74.4-30.9-178.5-73.8-60.3000112.8L444 V448 N497 V498 K503 D504L444-N501 HydrophobicContact CD2-CB 4.5Å; V448-N501 HydrophobicContact CG2-CB 3.5Å; V448-N501 VanDerWaalsContact CG2-CB 3.5Å; N497-N501 PolarHBondContact O-ND2 2.83Å; V498-N501 PolarHBondContact O-N 2.9Å; N501-K503 PolarHBondContact O-N 3.22Å; N501-K503 VanDerWaalsContact O-N 3.13Å; N501-D504 PolarHBondContact O-N 2.82Å; N501-D504 VanDerWaalsContact O-N 3.17Å
502L95.1Very high95.9Very high8 Ų864 Ų644%0.04231%0.308CS..G310 helixtrans-59.5-22.9175.9-77.7-175.3000113.4V448 V498 M499 D504 I505 F510 K511 T514V448-L502 HydrophobicContact CG1-CD2 4.19Å; V448-L502 HydrophobicContact CG2-CD2 4.26Å; V498-L502 HydrophobicContact CG1-CD1 3.73Å; V498-L502 HydrophobicContact CG1-CG 3.93Å; V498-L502 WeakPolarHBondContact O-CG 3.2Å; V498-L502 PolarHBondContact O-N 3.2Å; M499-L502 HydrophobicContact SD-CD1 4.24Å; L502-D504 VanDerWaalsContact C-N 3.26Å; L502-D504 PolarHBondContact O-N 2.9Å; L502-I505 HydrophobicContact CD2-CD1 4.06Å; L502-I505 PolarHBondContact O-N 2.92Å; L502-F510 HydrophobicContact CD2-CD1 4.21Å; L502-F510 HydrophobicContact CD2-CE1 4.07Å; L502-K511 HydrophobicContact CD2-CG 4.15Å; L502-K511 WeakPolarHBondContact O-CE 3.13Å; L502-T514 HydrophobicContact CD1-CG2 4.25Å; L502-T514 HydrophobicContact CD2-CG2 4.16Å
503K94.5Very high95.8Very high144 Ų14463.4 Ų63.463%0.62631%0.312SS*.G310 helixtrans-63.6-33.6178.3-64.1179-173.4175.50112.4I500 N501I500-K503 HydrophobicContact CD1-CD 4.24Å; I500-K503 WeakPolarHBondContact O-CB 3.4Å; I500-K503 PolarHBondContact O-N 2.94Å; N501-K503 PolarHBondContact O-N 3.22Å; N501-K503 VanDerWaalsContact O-N 3.13Å
504D92.8Very high95.8Very high92 Ų9263.5 Ų63.549%0.49231%0.31SS..G310 helixtrans-95.8-3.7-174.2-60.7-42.1000112.8Q441 L444 N501 L502Q441-D504 PolarHBondContact NE2-O 2.99Å; L444-D504 HydrophobicContact CD1-CB 3.7Å; L444-D504 WeakPolarHBondContact CD1-O 2.99Å; L444-D504 HydrophobicContact CD2-CB 4.29Å; N501-D504 PolarHBondContact O-N 2.82Å; N501-D504 VanDerWaalsContact O-N 3.17Å; L502-D504 VanDerWaalsContact C-N 3.26Å; L502-D504 PolarHBondContact O-N 2.9Å
505I94.6Very high95.8Very high4 Ų465.1 Ų65.12%0.02132%0.321CS..  trans-80.7140.2173.1-65.8-177.8000109.7L444 K445 V448 L502 D507 F510 K511L444-I505 HydrophobicContact CB-CD1 4.17Å; L444-I505 HydrophobicContact CB-CG1 3.79Å; L444-I505 HydrophobicContact CD1-CG1 4.31Å; K445-I505 HydrophobicContact CG-CD1 4.13Å; V448-I505 HydrophobicContact CG2-CD1 3.95Å; L502-I505 HydrophobicContact CD2-CD1 4.06Å; L502-I505 PolarHBondContact O-N 2.92Å; I505-D507 HydrophobicContact CG2-CB 4.01Å; I505-F510 HydrophobicContact CD1-CD1 4Å; I505-F510 HydrophobicContact CD1-CE1 3.71Å; I505-F510 HydrophobicContact CG2-CD1 4.19Å; I505-K511 HydrophobicContact CB-CD 4.31Å; I505-K511 HydrophobicContact CB-CG 4.19Å; I505-K511 HydrophobicContact CG2-CD 4.33Å; I505-K511 HydrophobicContact CG2-CG 4.08Å; I505-K511 VanDerWaalsContact O-CD 3.25Å; I505-K511 WeakPolarHBondContact O-CD 3.28Å; I505-K511 PolarHBondContact O-NZ 3.09Å
506T94.1Very high95.7Very high98 Ų9869.5 Ų69.560%0.60134%0.344SS*.  trans-97.8-18.2179.257.80000113.6Q441 E508Q441-T506 PolarHBondContact OE1-OG1 3.27Å; T506-E508 PolarHBondContact O-N 2.95Å; T506-E508 VanDerWaalsContact O-N 3.09Å
507D95.1Very high95.7Very high58 Ų5869.2 Ų69.231%0.3134%0.342SS..  trans-7495.2177.5-176.1-18.1000110.7K445 I505 K509 F510 K511K445-D507 IonicContact NZ-OD2 3.5Å; K445-D507 PolarHBondContact NZ-OD2 3.23Å; I505-D507 HydrophobicContact CG2-CB 4.01Å; D507-K509 VanDerWaalsContact C-N 3.31Å; D507-K509 PolarHBondContact O-N 3.36Å; D507-K509 PolarHBondContact OD1-N 3.03Å; D507-F510 HydrophobicContact CB-CB 3.88Å; D507-F510 VanDerWaalsContact CG-CB 3.4Å; D507-F510 PolarHBondContact O-N 3.01Å; D507-F510 PolarHBondContact OD1-N 2.75Å; D507-K511 WeakPolarHBondContact O-CG 3.35Å; D507-K511 PolarHBondContact O-N 3.37Å
508E95.1Very high95.8Very high104 Ų10467.8 Ų67.849%0.48634%0.335SS..Hα-helixtrans-63.7-33.3-176.3-70.9-56.914400113.5T506 K511 Q512T506-E508 PolarHBondContact O-N 2.95Å; T506-E508 VanDerWaalsContact O-N 3.09Å; E508-K511 PolarHBondContact O-N 2.95Å; E508-K511 IonicContact OE1-NZ 2.78Å; E508-K511 PolarHBondContact OE1-NZ 3.41Å; E508-K511 IonicContact OE2-NZ 3.68Å; E508-Q512 WeakPolarHBondContact O-CG 3.5Å; E508-Q512 PolarHBondContact O-N 3.14Å
509K96.2Very high95.9Very high166 Ų16669.6 Ų69.672%0.72235%0.348SS*.Hα-helixtrans-65.8-46.9176.3-173.8-176.8179.6-177.10110D507 K511 Q512 V513D507-K509 VanDerWaalsContact C-N 3.31Å; D507-K509 PolarHBondContact O-N 3.36Å; D507-K509 PolarHBondContact OD1-N 3.03Å; K509-K511 VanDerWaalsContact C-N 3.33Å; K509-K511 PolarHBondContact O-N 3.04Å; K509-Q512 PolarHBondContact O-N 2.96Å; K509-V513 VanDerWaalsContact O-CG2 3.32Å; K509-V513 WeakPolarHBondContact O-CG2 3.15Å; K509-V513 PolarHBondContact O-N 3.32Å; K509-V513 VanDerWaalsContact O-N 3.13Å
510F95.1Very high96Very high44 Ų4469.1 Ų69.119%0.19336%0.356CS..Hα-helixtrans-59.2-45175.4-177.8-91.4000111.3K445 V448 L502 I505 D507 Q512 V513 T514K445-F510 HydrophobicContact CB-CZ 4.43Å; K445-F510 HydrophobicContact CG-CD1 4.48Å; K445-F510 HydrophobicContact CG-CE1 4.14Å; K445-F510 HydrophobicContact CG-CZ 4.15Å; V448-F510 HydrophobicContact CB-CE1 4.49Å; V448-F510 HydrophobicContact CG1-CE1 4.03Å; V448-F510 HydrophobicContact CG1-CZ 4.16Å; L502-F510 HydrophobicContact CD2-CD1 4.21Å; L502-F510 HydrophobicContact CD2-CE1 4.07Å; I505-F510 HydrophobicContact CD1-CD1 4Å; I505-F510 HydrophobicContact CD1-CE1 3.71Å; I505-F510 HydrophobicContact CG2-CD1 4.19Å; D507-F510 HydrophobicContact CB-CB 3.88Å; D507-F510 VanDerWaalsContact CG-CB 3.4Å; D507-F510 PolarHBondContact O-N 3.01Å; D507-F510 PolarHBondContact OD1-N 2.75Å; F510-Q512 PolarHBondContact O-N 3.12Å; F510-V513 PolarHBondContact O-N 3.4Å; F510-T514 VanDerWaalsContact O-CB 3.27Å; F510-T514 WeakPolarHBondContact O-CB 3.49Å; F510-T514 PolarHBondContact O-N 2.93Å; F510-T514 PolarHBondContact O-OG1 3.35Å
511K96.3Very high96.2Very high43 Ų4366 Ų6619%0.18734%0.34CS..Hα-helixtrans-58.2-49.9178.6-74.5165.271.4174.60113.1L502 I505 D507 E508 K509 S515L502-K511 HydrophobicContact CD2-CG 4.15Å; L502-K511 WeakPolarHBondContact O-CE 3.13Å; I505-K511 HydrophobicContact CB-CD 4.31Å; I505-K511 HydrophobicContact CB-CG 4.19Å; I505-K511 HydrophobicContact CG2-CD 4.33Å; I505-K511 HydrophobicContact CG2-CG 4.08Å; I505-K511 VanDerWaalsContact O-CD 3.25Å; I505-K511 WeakPolarHBondContact O-CD 3.28Å; I505-K511 PolarHBondContact O-NZ 3.09Å; D507-K511 WeakPolarHBondContact O-CG 3.35Å; D507-K511 PolarHBondContact O-N 3.37Å; E508-K511 PolarHBondContact O-N 2.95Å; E508-K511 IonicContact OE1-NZ 2.78Å; E508-K511 PolarHBondContact OE1-NZ 3.41Å; E508-K511 IonicContact OE2-NZ 3.68Å; K509-K511 VanDerWaalsContact C-N 3.33Å; K509-K511 PolarHBondContact O-N 3.04Å; K511-S515 WeakPolarHBondContact O-CB 3.35Å; K511-S515 PolarHBondContact O-N 2.86Å
512Q96.1Very high96.4Very high124 Ų12465.1 Ų65.158%0.57934%0.335SS*.Hα-helixtrans-62.8-47.8-178.4-73.1-179.7100111.4E508 K509 F510 Q516E508-Q512 WeakPolarHBondContact O-CG 3.5Å; E508-Q512 PolarHBondContact O-N 3.14Å; K509-Q512 PolarHBondContact O-N 2.96Å; F510-Q512 PolarHBondContact O-N 3.12Å; Q512-Q516 WeakPolarHBondContact O-CB 3.4Å; Q512-Q516 VanDerWaalsContact O-CG 3.31Å; Q512-Q516 WeakPolarHBondContact O-CG 3.44Å; Q512-Q516 PolarHBondContact O-N 3.41Å
513V97Very high96.6Very high86 Ų8669 Ų6952%0.52135%0.353SS..Hα-helixtrans-61.7-49.2180172.20000110.8K509 F510 K517K509-V513 VanDerWaalsContact O-CG2 3.32Å; K509-V513 WeakPolarHBondContact O-CG2 3.15Å; K509-V513 PolarHBondContact O-N 3.32Å; K509-V513 VanDerWaalsContact O-N 3.13Å; F510-V513 PolarHBondContact O-N 3.4Å; V513-K517 VanDerWaalsContact O-CB 3.31Å; V513-K517 WeakPolarHBondContact O-CB 3.34Å; V513-K517 PolarHBondContact O-N 2.85Å
514T97.1Very high96.8Very high13 Ų1366 Ų668%0.0834%0.341CS..Hα-helixtrans-67.7-40.8-177.6-56.80000111.7V448 C452 V498 L502 F510 K517 I518V448-T514 HydrophobicContact CG1-CG2 3.53Å; C452-T514 WeakPolarHBondContact SG-CG2 3.26Å; V498-T514 HydrophobicContact CG1-CG2 3.77Å; L502-T514 HydrophobicContact CD1-CG2 4.25Å; L502-T514 HydrophobicContact CD2-CG2 4.16Å; F510-T514 VanDerWaalsContact O-CB 3.27Å; F510-T514 WeakPolarHBondContact O-CB 3.49Å; F510-T514 PolarHBondContact O-N 2.93Å; F510-T514 PolarHBondContact O-OG1 3.35Å; T514-K517 PolarHBondContact O-N 3.28Å; T514-I518 WeakPolarHBondContact O-CG2 3.5Å; T514-I518 PolarHBondContact O-N 2.89Å
515S97.3Very high97Very high33 Ų3361.6 Ų61.623%0.23132%0.318CS..Hα-helixtrans-65.4-41.8178.1-177.50000112.4K511 I518 S519K511-S515 WeakPolarHBondContact O-CB 3.35Å; K511-S515 PolarHBondContact O-N 2.86Å; S515-I518 WeakPolarHBondContact O-CG2 3.38Å; S515-S519 WeakPolarHBondContact O-CB 3.43Å; S515-S519 PolarHBondContact O-N 3.09Å; S515-S519 VanDerWaalsContact O-N 3.11Å; S515-S519 PolarHBondContact O-OG 3.13Å
516Q97.8Very high97.2Very high143 Ų14365.1 Ų65.167%0.66833%0.333SS*.Hα-helixtrans-63.7-46173.9-73.7176.3-4.400111.2Q512 S519 G520Q512-Q516 WeakPolarHBondContact O-CB 3.4Å; Q512-Q516 VanDerWaalsContact O-CG 3.31Å; Q512-Q516 WeakPolarHBondContact O-CG 3.44Å; Q512-Q516 PolarHBondContact O-N 3.41Å; Q516-S519 PolarHBondContact O-N 2.96Å; Q516-G520 PolarHBondContact O-N 3.4Å
517K98Very high97.4Very high98 Ų9866.2 Ų66.243%0.42633%0.331SS..Hα-helixtrans-58.3-53.1179.2-171.2-179.3-168.5-175.90111.8E456 V513 T514 S519 G520 L521E456-K517 VanDerWaalsContact CD-CE 3.49Å; E456-K517 WeakPolarHBondContact OE1-CE 3.41Å; E456-K517 IonicContact OE1-NZ 3.9Å; E456-K517 PolarHBondContact OE1-NZ 3.48Å; E456-K517 IonicContact OE2-NZ 3.77Å; E456-K517 PolarHBondContact OE2-NZ 3.12Å; V513-K517 VanDerWaalsContact O-CB 3.31Å; V513-K517 WeakPolarHBondContact O-CB 3.34Å; V513-K517 PolarHBondContact O-N 2.85Å; T514-K517 PolarHBondContact O-N 3.28Å; K517-S519 VanDerWaalsContact C-N 3.32Å; K517-S519 PolarHBondContact O-N 2.9Å; K517-G520 PolarHBondContact O-N 2.9Å; K517-L521 HydrophobicContact CG-CD1 4.26Å; K517-L521 WeakPolarHBondContact O-CG 3.25Å; K517-L521 PolarHBondContact O-N 3.08Å
518I98.3Very high97.6Very high0 Ų064.4 Ų64.40%032%0.323CS..Hα-helixtrans-68.2-32.8-175.8-162.462.1000112.5A455 Y495 V498 M499 T514 S515 L521 L522A455-I518 HydrophobicContact CB-CD1 3.52Å; Y495-I518 HydrophobicContact CD2-CB 4.49Å; Y495-I518 HydrophobicContact CD2-CG1 4.09Å; Y495-I518 HydrophobicContact CD2-CG2 3.9Å; Y495-I518 HydrophobicContact CE2-CG2 4.22Å; V498-I518 HydrophobicContact CB-CG1 4.1Å; V498-I518 HydrophobicContact CB-CG2 4.38Å; V498-I518 HydrophobicContact CG1-CB 4.23Å; V498-I518 HydrophobicContact CG1-CG1 4.32Å; V498-I518 HydrophobicContact CG1-CG2 3.86Å; V498-I518 HydrophobicContact CG2-CD1 4.2Å; V498-I518 HydrophobicContact CG2-CG1 4.03Å; M499-I518 HydrophobicContact SD-CG2 4.26Å; T514-I518 WeakPolarHBondContact O-CG2 3.5Å; T514-I518 PolarHBondContact O-N 2.89Å; S515-I518 WeakPolarHBondContact O-CG2 3.38Å; I518-L521 HydrophobicContact CD1-CD1 4.24Å; I518-L521 PolarHBondContact O-N 2.83Å; I518-L522 PolarHBondContact O-N 3.15Å
519S98.3Very high97.8Very high39 Ų3960.1 Ų60.127%0.27330%0.304SS..Hα-helixtrans-65.5-43.3173.4-56.70000111.2S515 Q516 K517 L522 E523S515-S519 WeakPolarHBondContact O-CB 3.43Å; S515-S519 PolarHBondContact O-N 3.09Å; S515-S519 VanDerWaalsContact O-N 3.11Å; S515-S519 PolarHBondContact O-OG 3.13Å; Q516-S519 PolarHBondContact O-N 2.96Å; K517-S519 VanDerWaalsContact C-N 3.32Å; K517-S519 PolarHBondContact O-N 2.9Å; S519-L522 PolarHBondContact O-N 2.81Å; S519-E523 PolarHBondContact O-N 2.81Å; S519-E523 VanDerWaalsContact O-N 3.08Å
520G98.6Very high97.9Very high42 Ų4256.6 Ų56.643%0.43330%0.296SS..Hα-helixtrans-60.6-4417500000112.5Q516 K517 L522 E523 E524Q516-G520 PolarHBondContact O-N 3.4Å; K517-G520 PolarHBondContact O-N 2.9Å; G520-L522 VanDerWaalsContact C-N 3.34Å; G520-L522 PolarHBondContact O-N 2.9Å; G520-E523 PolarHBondContact O-N 3.16Å; G520-E524 WeakPolarHBondContact O-CB 3.3Å; G520-E524 PolarHBondContact O-N 3.31Å
521L98.6Very high98Very high20 Ų2058.9 Ų58.911%0.10531%0.31CS..Hα-helixtrans-62.2-40.4177.3-68.3168.5000112.2A455 E456 N459 K517 I518 A525A455-L521 HydrophobicContact CB-CB 4.29Å; A455-L521 HydrophobicContact CB-CD1 3.83Å; E456-L521 HydrophobicContact CG-CD1 3.69Å; E456-L521 HydrophobicContact CG-CD2 4.4Å; N459-L521 HydrophobicContact CB-CD2 4.05Å; N459-L521 VanDerWaalsContact ND2-CA 3.29Å; N459-L521 WeakPolarHBondContact ND2-CA 3.22Å; N459-L521 VanDerWaalsContact ND2-CD2 3.29Å; N459-L521 WeakPolarHBondContact ND2-CD2 3.16Å; N459-L521 PolarHBondContact ND2-O 2.84Å; K517-L521 HydrophobicContact CG-CD1 4.26Å; K517-L521 WeakPolarHBondContact O-CG 3.25Å; K517-L521 PolarHBondContact O-N 3.08Å; I518-L521 HydrophobicContact CD1-CD1 4.24Å; I518-L521 PolarHBondContact O-N 2.83Å; L521-A525 WeakPolarHBondContact O-CB 3.38Å; L521-A525 PolarHBondContact O-N 3.1Å
522L98.8Very high98.1Very high8 Ų856.9 Ų56.94%0.04230%0.301CS..Hα-helixtrans-65-43.7176.8178.660.2000112.3V491 F492 Y495 I518 S519 G520 A525 K526V491-L522 HydrophobicContact CG1-CB 4.34Å; V491-L522 HydrophobicContact CG1-CD1 4.23Å; F492-L522 HydrophobicContact CB-CD1 4.13Å; Y495-L522 HydrophobicContact CD1-CD2 3.91Å; Y495-L522 HydrophobicContact CD2-CB 4.27Å; Y495-L522 HydrophobicContact CD2-CD2 3.85Å; Y495-L522 HydrophobicContact CE1-CD2 4.36Å; Y495-L522 HydrophobicContact CE2-CD2 4.31Å; Y495-L522 HydrophobicContact CG-CD2 3.64Å; I518-L522 PolarHBondContact O-N 3.15Å; S519-L522 PolarHBondContact O-N 2.81Å; G520-L522 VanDerWaalsContact C-N 3.34Å; G520-L522 PolarHBondContact O-N 2.9Å; L522-A525 PolarHBondContact O-N 3.12Å; L522-K526 WeakPolarHBondContact O-CG 3.43Å; L522-K526 PolarHBondContact O-N 3.11Å
523E98.6Very high98.1Very high89 Ų8953.4 Ų53.442%0.41629%0.287SS..Hα-helixtrans-65.8-40.8178.2-70.6-54.7123.500112S519 G520 A525 K526 Q527S519-E523 PolarHBondContact O-N 2.81Å; S519-E523 VanDerWaalsContact O-N 3.08Å; G520-E523 PolarHBondContact O-N 3.16Å; E523-A525 VanDerWaalsContact C-N 3.31Å; E523-A525 PolarHBondContact O-N 3.12Å; E523-K526 PolarHBondContact O-N 3Å; E523-K526 IonicContact OE1-NZ 2.75Å; E523-K526 PolarHBondContact OE1-NZ 2.88Å; E523-Q527 VanDerWaalsContact O-CG 3.32Å; E523-Q527 WeakPolarHBondContact O-CG 3.37Å; E523-Q527 PolarHBondContact O-N 3.32Å
524E98.5Very high98.1Very high82 Ų8251 Ų5138%0.38328%0.276SS..Hα-helixtrans-58.5-43.2172.4-178.9-175.4-17500111.6N459 G520 Q527 S528N459-E524 PolarHBondContact ND2-OE2 2.95Å; G520-E524 WeakPolarHBondContact O-CB 3.3Å; G520-E524 PolarHBondContact O-N 3.31Å; E524-Q527 PolarHBondContact O-N 3.4Å; E524-S528 WeakPolarHBondContact O-CB 3.44Å; E524-S528 VanDerWaalsContact O-CB 3.23Å; E524-S528 PolarHBondContact O-OG 3.18Å; E524-S528 PolarHBondContact O-N 3.42Å
525A98.6Very high98Very high0 Ų051.4 Ų51.40%028%0.28CS..Hα-helixtrans-62.8-44.6178.900000112.4W462 E488 V491 L521 L522 E523 S528 L529W462-A525 HydrophobicContact CZ2-CB 3.84Å; E488-A525 HydrophobicContact CG-CB 4.36Å; V491-A525 HydrophobicContact CB-CB 4Å; V491-A525 HydrophobicContact CG1-CB 3.96Å; V491-A525 HydrophobicContact CG2-CB 4.06Å; L521-A525 WeakPolarHBondContact O-CB 3.38Å; L521-A525 PolarHBondContact O-N 3.1Å; L522-A525 PolarHBondContact O-N 3.12Å; E523-A525 VanDerWaalsContact C-N 3.31Å; E523-A525 PolarHBondContact O-N 3.12Å; A525-S528 PolarHBondContact O-N 3.44Å; A525-L529 WeakPolarHBondContact O-CB 3.4Å; A525-L529 PolarHBondContact O-N 3.24Å
526K98.6Very high97.9Very high77 Ų7749.8 Ų49.834%0.33527%0.269SS..Hα-helixtrans-61.9-45176.5-70172.6-174.7166.10112.2L522 E523 T530L522-K526 WeakPolarHBondContact O-CG 3.43Å; L522-K526 PolarHBondContact O-N 3.11Å; E523-K526 PolarHBondContact O-N 3Å; E523-K526 IonicContact OE1-NZ 2.75Å; E523-K526 PolarHBondContact OE1-NZ 2.88Å; K526-T530 PolarHBondContact O-N 2.85Å; K526-T530 PolarHBondContact O-OG1 3.49Å
527Q98.4Very high97.7Very high121 Ų12148.6 Ų48.657%0.56526%0.263SS*.Hα-helixtrans-64.8-44.3178.5-70.2175.314.300110.8E523 E524 T530 L531E523-Q527 VanDerWaalsContact O-CG 3.32Å; E523-Q527 WeakPolarHBondContact O-CG 3.37Å; E523-Q527 PolarHBondContact O-N 3.32Å; E524-Q527 PolarHBondContact O-N 3.4Å; Q527-T530 WeakPolarHBondContact O-CB 3.29Å; Q527-T530 PolarHBondContact O-N 3.08Å; Q527-L531 WeakPolarHBondContact O-CG 3.29Å; Q527-L531 PolarHBondContact O-N 3.1Å
528S98.4Very high97.5Very high21 Ų2151.9 Ų51.915%0.14728%0.277CS..Hα-helixtrans-64.5-43.8-179.6-62.60000112.3W462 E524 A525 T530 L531 V532W462-S528 VanDerWaalsContact CD2-CB 3.41Å; E524-S528 WeakPolarHBondContact O-CB 3.44Å; E524-S528 VanDerWaalsContact O-CB 3.23Å; E524-S528 PolarHBondContact O-OG 3.18Å; E524-S528 PolarHBondContact O-N 3.42Å; A525-S528 PolarHBondContact O-N 3.44Å; S528-T530 PolarHBondContact O-N 2.82Å; S528-T530 VanDerWaalsContact C-N 3.31Å; S528-L531 PolarHBondContact O-N 3.1Å; S528-V532 VanDerWaalsContact O-CG2 3.32Å; S528-V532 WeakPolarHBondContact O-CG2 3.24Å; S528-V532 PolarHBondContact O-N 3.3Å
529L98.6Very high97.2Very high13 Ų1355.4 Ų55.47%0.06829%0.291CS..Hα-helixtrans-54-48.7172.517364.3000111.3A484 K485 E488 A525 L531 V532 L533A484-L529 HydrophobicContact CB-CD1 3.67Å; K485-L529 HydrophobicContact CD-CD2 3.66Å; E488-L529 HydrophobicContact CB-CB 4.34Å; E488-L529 HydrophobicContact CB-CD2 3.95Å; E488-L529 HydrophobicContact CG-CB 4.4Å; E488-L529 HydrophobicContact CG-CD2 3.89Å; A525-L529 WeakPolarHBondContact O-CB 3.4Å; A525-L529 PolarHBondContact O-N 3.24Å; L529-L531 VanDerWaalsContact C-N 3.31Å; L529-L531 PolarHBondContact O-N 3.23Å; L529-V532 PolarHBondContact O-N 2.86Å; L529-L533 PolarHBondContact O-N 3.47Å; L529-L533 WeakPolarHBondContact O-CG 3.26Å; L529-L533 HydrophobicContact CG-CG 4.45Å; L529-L533 HydrophobicContact CD1-CG 3.95Å; L529-L533 HydrophobicContact CD1-CD2 4.46Å; L529-L533 HydrophobicContact CD1-CD1 3.85Å; L529-L533 HydrophobicContact CG-CD1 4.04Å
530T98.2Very high96.2Very high93 Ų9356.5 Ų56.557%0.57130%0.302SS*.Hα-helixtrans-59.1-43.6-179.9-55.30000111.3K526 Q527 S528 A534K526-T530 PolarHBondContact O-N 2.85Å; K526-T530 PolarHBondContact O-OG1 3.49Å; Q527-T530 WeakPolarHBondContact O-CB 3.29Å; Q527-T530 PolarHBondContact O-N 3.08Å; S528-T530 PolarHBondContact O-N 2.82Å; S528-T530 VanDerWaalsContact C-N 3.31Å; T530-A534 WeakPolarHBondContact O-CB 3.44Å; T530-A534 PolarHBondContact O-N 3.07Å
531L97.8Very high94.4Very high91 Ų9161.1 Ų61.148%0.47634%0.336SS..Hα-helixtrans-66.3-40.4178.4-67.8174.6000112.7Q527 S528 L529 A535Q527-L531 WeakPolarHBondContact O-CG 3.29Å; Q527-L531 PolarHBondContact O-N 3.1Å; S528-L531 PolarHBondContact O-N 3.1Å; L529-L531 VanDerWaalsContact C-N 3.31Å; L529-L531 PolarHBondContact O-N 3.23Å; L531-A535 WeakPolarHBondContact O-CB 3.3Å; L531-A535 PolarHBondContact O-N 3.45Å
532V97.8Very high94.2Very high1 Ų163.2 Ų63.21%0.00635%0.348CS..Hα-helixtrans-63.8-48.6177.5169.50000110.6L465 K466 A469 A484 S528 L529 A534 A535 L536L465-V532 HydrophobicContact CD2-CG1 4.41Å; L465-V532 HydrophobicContact CD2-CG2 4.32Å; L465-V532 HydrophobicContact CG-CG1 4.34Å; L465-V532 HydrophobicContact CG-CG2 4.31Å; K466-V532 HydrophobicContact CB-CG2 4.21Å; A469-V532 HydrophobicContact CB-CG1 4.17Å; A484-V532 HydrophobicContact CB-CG1 3.96Å; S528-V532 VanDerWaalsContact O-CG2 3.32Å; S528-V532 WeakPolarHBondContact O-CG2 3.24Å; S528-V532 PolarHBondContact O-N 3.3Å; L529-V532 PolarHBondContact O-N 2.86Å; V532-A534 PolarHBondContact O-N 3.04Å; V532-A535 PolarHBondContact O-N 3.46Å; V532-L536 HydrophobicContact CG1-CD1 4.08Å; V532-L536 WeakPolarHBondContact O-CG 3.43Å; V532-L536 PolarHBondContact O-N 2.92Å; V532-L536 VanDerWaalsContact O-N 3.11Å
533L97.4Very high93.9Very high52 Ų5266.1 Ų66.127%0.27236%0.364SS..Hα-helixtrans-62.4-43.7179.3-66.4178.9000111.6Q481 L529 A535 L536 E537Q481-L533 HydrophobicContact CB-CD2 4.03Å; Q481-L533 HydrophobicContact CG-CD2 3.77Å; L529-L533 PolarHBondContact O-N 3.47Å; L529-L533 WeakPolarHBondContact O-CG 3.26Å; L529-L533 HydrophobicContact CG-CG 4.45Å; L529-L533 HydrophobicContact CD1-CG 3.95Å; L529-L533 HydrophobicContact CD1-CD2 4.46Å; L529-L533 HydrophobicContact CD1-CD1 3.85Å; L529-L533 HydrophobicContact CG-CD1 4.04Å; L533-A535 VanDerWaalsContact C-N 3.31Å; L533-A535 PolarHBondContact O-N 3.05Å; L533-L536 PolarHBondContact O-N 3.41Å; L533-E537 WeakPolarHBondContact O-CG 3.5Å; L533-E537 PolarHBondContact O-N 3.27Å
534A96.3Very high93.7Very high36 Ų3664.8 Ų64.830%0.29836%0.361SS..Hα-helixtrans-62.4-36.8176.500000112.6T530 V532 E537 K538T530-A534 WeakPolarHBondContact O-CB 3.44Å; T530-A534 PolarHBondContact O-N 3.07Å; V532-A534 PolarHBondContact O-N 3.04Å; A534-E537 PolarHBondContact O-N 3.13Å; A534-K538 WeakPolarHBondContact O-CG 3.49Å; A534-K538 PolarHBondContact O-N 2.84Å; A534-K538 VanDerWaalsContact O-N 3.1Å
535A95.8Very high93.4Very high20 Ų2063.8 Ų63.817%0.16536%0.36CS..Hα-helixtrans-64.4-40.7175.400000111.9A469 L531 V532 L533 R539A469-A535 HydrophobicContact CB-CB 4.38Å; L531-A535 WeakPolarHBondContact O-CB 3.3Å; L531-A535 PolarHBondContact O-N 3.45Å; V532-A535 PolarHBondContact O-N 3.46Å; L533-A535 VanDerWaalsContact C-N 3.31Å; L533-A535 PolarHBondContact O-N 3.05Å; A535-R539 WeakPolarHBondContact O-CG 3.45Å; A535-R539 PolarHBondContact O-N 3.42Å
536L95.4Very high93.1Very high0 Ų067.8 Ų67.80%038%0.382CS..Hα-helixtrans-71-33.2178-68165.7000113.2A469 K477 I480 Q481 V532 L533A469-L536 HydrophobicContact CB-CD1 4.42Å; A469-L536 HydrophobicContact CB-CD2 3.81Å; A469-L536 HydrophobicContact CB-CG 3.85Å; K477-L536 WeakPolarHBondContact CE-O 3.42Å; K477-L536 PolarHBondContact NZ-O 2.88Å; I480-L536 HydrophobicContact CG1-CD1 4.4Å; I480-L536 HydrophobicContact CG2-CD1 3.56Å; I480-L536 HydrophobicContact CG2-CD2 3.69Å; I480-L536 HydrophobicContact CG2-CG 4.29Å; Q481-L536 HydrophobicContact CG-CD1 3.79Å; V532-L536 HydrophobicContact CG1-CD1 4.08Å; V532-L536 WeakPolarHBondContact O-CG 3.43Å; V532-L536 PolarHBondContact O-N 2.92Å; V532-L536 VanDerWaalsContact O-N 3.11Å; L533-L536 PolarHBondContact O-N 3.41Å
537E93.4Very high92.7Very high117 Ų11767.1 Ų67.155%0.54739%0.385SS..Hα-helixtrans-66.6-47.1173.7-75.5177.417900111.3L533 A534 R539 A540 A541L533-E537 WeakPolarHBondContact O-CG 3.5Å; L533-E537 PolarHBondContact O-N 3.27Å; A534-E537 PolarHBondContact O-N 3.13Å; E537-R539 PolarHBondContact O-N 2.7Å; E537-A540 PolarHBondContact O-N 3.38Å; E537-A541 PolarHBondContact O-N 3.09Å
538K93.4Very high92.3Very high167 Ų16763.3 Ų63.373%0.72637%0.372SS*.Hα-helixtrans-59.8-28.7178.4-75177.4-179.6-1770114.2A534A534-K538 WeakPolarHBondContact O-CG 3.49Å; A534-K538 PolarHBondContact O-N 2.84Å; A534-K538 VanDerWaalsContact O-N 3.1Å
539R91.9Very high91.8Very high75 Ų7566.5 Ų66.528%0.28339%0.39SS..THydrogen-bonded Turntrans-81.1-16.9177-71.6-178.769.3-154.70.8114.1A469 C470 C472 L474 A535 E537A469-R539 WeakPolarHBondContact O-CD 3.13Å; A469-R539 PolarHBondContact O-NH1 2.71Å; C470-R539 PolarHBondContact O-NE 3.4Å; C470-R539 VanDerWaalsContact O-NE 3.12Å; C470-R539 PolarHBondContact O-NH1 3.11Å; C472-R539 PolarHBondContact O-NH1 2.94Å; C472-R539 PolarHBondContact O-NH2 3.37Å; L474-R539 HydrophobicContact CD1-CB 4.45Å; L474-R539 HydrophobicContact CD2-CB 3.96Å; A535-R539 WeakPolarHBondContact O-CG 3.45Å; A535-R539 PolarHBondContact O-N 3.42Å; E537-R539 PolarHBondContact O-N 2.7Å
540A77Confident91.2Very high61 Ų6171 Ų7150%0.50442%0.416SS..THydrogen-bonded Turntrans-97.1-13.4-178.300000113.1K477 E537K477-A540 HydrophobicContact CD-CB 4.28Å; E537-A540 PolarHBondContact O-N 3.38Å
541A60.5Low90.6Very high139 Ų13969 Ų69100%1.14940%0.402SS*.  trans-85.40166.200000109.3E537E537-A541 PolarHBondContact O-N 3.09Å

Retrieved 541 of 541 residues in 315.6 ms (Link to these results)

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