A0A060WCA9_ONCMY Loading...

Coiled-coil domain-containing protein 25

AlphaFold DB (A0A673WAJ9), UniProt , Accession A0A060WCA9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ccdc25, Length 207 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M82.7Confident85Confident19 Ų1939.5 Ų39.59%0.09425%0.246CC..  01200-168.7175.4121.400110.8F3 K20 E24 Y140M1-F3 HydrophobicContact CE-CD1 4.27Å; M1-F3 HydrophobicContact CE-CE1 3.24Å; M1-F3 HydrophobicContact CE-CE2 4.18Å; M1-F3 HydrophobicContact CE-CZ 3.19Å; M1-K20 HydrophobicContact CB-CB 4.28Å; M1-K20 HydrophobicContact CB-CD 4.24Å; M1-K20 HydrophobicContact CE-CB 4.3Å; M1-K20 HydrophobicContact CE-CD 3.51Å; M1-K20 HydrophobicContact CE-CG 3.91Å; M1-K20 HydrophobicContact CG-CD 4.42Å; M1-K20 WeakPolarHBondContact O-CB 3.32Å; M1-K20 PolarHBondContact O-N 2.68Å; M1-K20 HydrophobicContact SD-CD 3.74Å; M1-E24 PolarHBondContact N-OE1 3.28Å; M1-E24 PolarHBondContact N-OE2 3.22Å; M1-Y140 HydrophobicContact CB-CD1 4.07Å; M1-Y140 HydrophobicContact CB-CE1 3.6Å; M1-Y140 HydrophobicContact CG-CD1 4.44Å; M1-Y140 HydrophobicContact CG-CE1 3.83Å; M1-Y140 HydrophobicContact CG-CE2 4.35Å; M1-Y140 HydrophobicContact SD-CE1 4.22Å; M1-Y140 PolarHBondContact SD-OH 3.08Å
2V86.4Confident84.8Confident1 Ų143 Ų431%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-122.5132.5-176.5-176.70000108.5Y4 Y17 L28 R139 P141 L143V2-Y4 HydrophobicContact CB-CD2 4.45Å; V2-Y4 HydrophobicContact CB-CE2 3.85Å; V2-Y4 HydrophobicContact CG1-CD2 4.13Å; V2-Y4 HydrophobicContact CG1-CE2 3.63Å; V2-Y17 HydrophobicContact CG1-CD2 4.16Å; V2-L28 HydrophobicContact CG1-CD1 4.36Å; V2-L28 HydrophobicContact CG1-CD2 4.19Å; V2-L28 HydrophobicContact CG2-CD1 4.39Å; V2-L28 HydrophobicContact CG2-CD2 4Å; V2-L28 HydrophobicContact CG2-CG 4.43Å; V2-R139 PolarHBondContact N-O 2.97Å; V2-R139 PolarHBondContact O-N 3.39Å; V2-R139 VanDerWaalsContact O-O 3.12Å; V2-P141 HydrophobicContact CB-CG 3.95Å; V2-P141 HydrophobicContact CG2-CG 3.73Å; V2-L143 HydrophobicContact CG2-CD1 4.42Å
3F89.4Confident84.8Confident25 Ų2545.5 Ų45.511%0.1129%0.286CS..EExtended strand (participates in β ladder)trans-89.7125.6172.9-61.9-58.6000109M1 F5 Y17 M18 K20 K136 E138M1-F3 HydrophobicContact CE-CD1 4.27Å; M1-F3 HydrophobicContact CE-CE1 3.24Å; M1-F3 HydrophobicContact CE-CE2 4.18Å; M1-F3 HydrophobicContact CE-CZ 3.19Å; F3-F5 HydrophobicContact CB-CE2 3.75Å; F3-F5 HydrophobicContact CB-CZ 3.92Å; F3-Y17 CarbonylContact O-C 3.58Å; F3-Y17 WeakPolarHBondContact O-CA 3.39Å; F3-Y17 WeakPolarHBondContact O-CB 3.34Å; F3-M18 HydrophobicContact CB-CG 3.91Å; F3-M18 HydrophobicContact CD2-CE 4.29Å; F3-M18 HydrophobicContact CD2-CG 4.08Å; F3-M18 HydrophobicContact CG-CG 4.49Å; F3-M18 PolarHBondContact N-O 3.16Å; F3-M18 PolarHBondContact O-N 3.39Å; F3-K20 HydrophobicContact CE2-CB 3.95Å; F3-K20 HydrophobicContact CE2-CG 3.99Å; F3-K20 HydrophobicContact CZ-CB 4.4Å; F3-K20 HydrophobicContact CZ-CG 4.15Å; F3-K136 HydrophobicContact CD1-CD 4.42Å; F3-K136 HydrophobicContact CD1-CG 4.45Å; F3-K136 VanDerWaalsContact CE1-NZ 3.27Å; F3-E138 HydrophobicContact CD1-CG 3.79Å; F3-E138 HydrophobicContact CE1-CG 3.75Å; F3-E138 WeakPolarHBondContact CE1-OE1 3.23Å
4Y90.8Very high85.1Confident26 Ų2643.2 Ų43.210%0.10227%0.269CS..EExtended strand (participates in β ladder)trans-104.7145.2172.1-71.4-96.9000109.4V2 T15 I16 Y17 K136 D137 R139 P141V2-Y4 HydrophobicContact CB-CD2 4.45Å; V2-Y4 HydrophobicContact CB-CE2 3.85Å; V2-Y4 HydrophobicContact CG1-CD2 4.13Å; V2-Y4 HydrophobicContact CG1-CE2 3.63Å; Y4-T15 HydrophobicContact CD1-CG2 4Å; Y4-I16 CarbonylContact C-O 3.38Å; Y4-I16 WeakPolarHBondContact CA-O 3.38Å; Y4-Y17 HydrophobicContact CD1-CG 4.45Å; Y4-Y17 HydrophobicContact CE1-CD1 4.42Å; Y4-Y17 HydrophobicContact CE1-CG 4.2Å; Y4-K136 CarbonylContact O-C 3.59Å; Y4-K136 VanDerWaalsContact O-CA 3.32Å; Y4-K136 WeakPolarHBondContact O-CA 3.3Å; Y4-D137 PolarHBondContact N-O 3.35Å; Y4-D137 PolarHBondContact O-N 3.02Å; Y4-R139 HydrophobicContact CD2-CB 3.8Å; Y4-R139 HydrophobicContact CD2-CG 3.91Å; Y4-R139 HydrophobicContact CE2-CB 3.74Å; Y4-R139 HydrophobicContact CE2-CG 4.23Å; Y4-P141 HydrophobicContact CE2-CG 3.98Å; Y4-P141 WeakPolarHBondContact OH-CG 3.36Å
5F91.1Very high85.4Confident5 Ų543.9 Ų43.92%0.02227%0.274CS..EExtended strand (participates in β ladder)trans-137.1151.3175.6-50.1-94.9000108.4F3 I16 M18 L73 V132 K136F3-F5 HydrophobicContact CB-CE2 3.75Å; F3-F5 HydrophobicContact CB-CZ 3.92Å; F5-I16 HydrophobicContact CB-CB 4.19Å; F5-I16 HydrophobicContact CD2-CG2 4.33Å; F5-I16 PolarHBondContact N-O 3.47Å; F5-I16 PolarHBondContact O-N 2.79Å; F5-I16 VanDerWaalsContact O-O 3.08Å; F5-M18 HydrophobicContact CE2-CG 3.88Å; F5-M18 HydrophobicContact CE2-SD 3.91Å; F5-M18 HydrophobicContact CZ-SD 4.16Å; F5-L73 HydrophobicContact CD2-CD2 3.86Å; F5-L73 HydrophobicContact CE1-CD1 4.33Å; F5-L73 HydrophobicContact CE2-CD2 3.88Å; F5-L73 HydrophobicContact CG-CD2 4.3Å; F5-L73 HydrophobicContact CZ-CD1 4.25Å; F5-L73 HydrophobicContact CZ-CD2 4.33Å; F5-V132 HydrophobicContact CB-CG1 3.79Å; F5-V132 HydrophobicContact CD1-CG1 3.93Å; F5-V132 HydrophobicContact CG-CG1 4.03Å; F5-K136 HydrophobicContact CD1-CB 3.83Å; F5-K136 HydrophobicContact CD1-CG 4.18Å; F5-K136 HydrophobicContact CE1-CB 3.61Å; F5-K136 HydrophobicContact CE1-CD 4.17Å; F5-K136 HydrophobicContact CE1-CG 3.59Å; F5-K136 HydrophobicContact CZ-CG 4.09Å
6T89.1Confident85.8Confident62 Ų6241.2 Ų41.238%0.3826%0.256SS..EExtended strand (participates in β ladder)trans-120.5112.7179.4-54.60000109.1A8 P13 T135T6-A8 PolarHBondContact O-N 3.47Å; T6-P13 HydrophobicContact CG2-CB 3.83Å; T6-T135 PolarHBondContact N-OG1 3.17Å; T6-T135 PolarHBondContact O-OG1 3.49Å
7S86.8Confident86.1Confident2 Ų239 Ų391%0.01424%0.242CC..EExtended strand (participates in β ladder)trans-84.6103.9171.5-177.30000109V9 P13 Y14 D69S7-V9 VanDerWaalsContact C-N 3.28Å; S7-P13 WeakPolarHBondContact O-CA 3.35Å; S7-Y14 PolarHBondContact N-O 3.01Å; S7-Y14 PolarHBondContact O-N 3.14Å; S7-D69 PolarHBondContact OG-OD2 3.06Å
8A83.1Confident86.4Confident80 Ų8037.4 Ų37.466%0.66123%0.232SC*.  trans-90.516.5176.400000113T6 V10T6-A8 PolarHBondContact O-N 3.47Å; A8-V10 VanDerWaalsContact C-N 3.3Å
9V80Confident86.4Confident44 Ų4435.5 Ų35.527%0.26722%0.22SC..SBendtrans-70.7-32.4-178.3-171.90000111.2S7 E65 D69S7-V9 VanDerWaalsContact C-N 3.28Å; V9-E65 HydrophobicContact CB-CB 4.45Å; V9-E65 HydrophobicContact CG1-CB 3.66Å; V9-E65 HydrophobicContact CG1-CG 4.23Å; V9-D69 WeakPolarHBondContact CG2-OD2 3.28Å
10V78.8Confident86.3Confident37 Ų3740.2 Ų40.222%0.22424%0.237CC..SBendtrans-119.5148.4177.2-1760000108.7A8 P12 Y14 P63 V66A8-V10 VanDerWaalsContact C-N 3.3Å; V10-P12 CarbonylContact C-O 3.53Å; V10-P12 CarbonylContact O-C 3.54Å; V10-Y14 HydrophobicContact CB-CE2 4.32Å; V10-Y14 HydrophobicContact CG1-CE2 4.38Å; V10-P63 HydrophobicContact CB-CG 4.21Å; V10-P63 HydrophobicContact CG1-CG 4.22Å; V10-P63 HydrophobicContact CG2-CB 3.84Å; V10-P63 HydrophobicContact CG2-CG 3.74Å; V10-V66 HydrophobicContact CB-CG2 4.39Å; V10-V66 HydrophobicContact CG2-CG2 4.05Å
11T77.1Confident86.2Confident134 Ų13441.1 Ų41.182%0.82224%0.242SC*.SBendtrans-105.4122.8172.3-57.70000108.5
12P82.4Confident86.1Confident81 Ų8145 Ų4553%0.52626%0.258SS..SBendcis-73.3154.34.331-35.9000113.8V10 Y14V10-P12 CarbonylContact C-O 3.53Å; V10-P12 CarbonylContact O-C 3.54Å; P12-Y14 WeakPolarHBondContact O-CD2 3.46Å
13P85.1Confident85.9Confident76 Ų7651.3 Ų51.349%0.49428%0.283SS..PPolyproline II helixtrans-66.2144.8179.528.9-35000111T6 S7T6-P13 HydrophobicContact CG2-CB 3.83Å; S7-P13 WeakPolarHBondContact O-CA 3.35Å
14Y88.1Confident85.6Confident13 Ų1352.9 Ų52.95%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-99.4137.2178.3-75.1-98.1000111.2S7 V10 P12 L51 M53 P54 P63 V66S7-Y14 PolarHBondContact N-O 3.01Å; S7-Y14 PolarHBondContact O-N 3.14Å; V10-Y14 HydrophobicContact CB-CE2 4.32Å; V10-Y14 HydrophobicContact CG1-CE2 4.38Å; P12-Y14 WeakPolarHBondContact O-CD2 3.46Å; Y14-L51 HydrophobicContact CD1-CD1 4.05Å; Y14-L51 HydrophobicContact CD1-CG 4.49Å; Y14-L51 HydrophobicContact CG-CD1 4.3Å; Y14-M53 HydrophobicContact CD1-SD 4.28Å; Y14-M53 HydrophobicContact CE1-CE 4.17Å; Y14-M53 HydrophobicContact CE1-SD 3.84Å; Y14-P54 HydrophobicContact CE1-CG 4.38Å; Y14-P63 HydrophobicContact CE2-CG 4Å; Y14-V66 HydrophobicContact CD1-CG1 4.49Å; Y14-V66 HydrophobicContact CD2-CG1 4.39Å; Y14-V66 HydrophobicContact CD2-CG2 3.68Å; Y14-V66 HydrophobicContact CE2-CG2 4.15Å; Y14-V66 HydrophobicContact CG-CG1 4.06Å; Y14-V66 HydrophobicContact CG-CG2 4.19Å
15T90.1Very high85.3Confident54 Ų5452.3 Ų52.333%0.33129%0.289SS..EExtended strand (participates in β ladder)trans-91122.7175.5-53.80000109.6Y4 R52Y4-T15 HydrophobicContact CD1-CG2 4Å; T15-R52 PolarHBondContact O-N 2.99Å
16I92.1Very high84.9Confident0 Ų055.1 Ų55.10%030%0.302CS..EExtended strand (participates in β ladder)trans-111.7143.1174.9-60.4163.4000107.1Y4 F5 V49 Y50 L51 C70 L73Y4-I16 CarbonylContact C-O 3.38Å; Y4-I16 WeakPolarHBondContact CA-O 3.38Å; F5-I16 HydrophobicContact CB-CB 4.19Å; F5-I16 HydrophobicContact CD2-CG2 4.33Å; F5-I16 PolarHBondContact N-O 3.47Å; F5-I16 PolarHBondContact O-N 2.79Å; F5-I16 VanDerWaalsContact O-O 3.08Å; I16-V49 HydrophobicContact CG2-CG1 3.38Å; I16-Y50 CarbonylContact C-O 3.19Å; I16-Y50 VanDerWaalsContact CA-O 3.28Å; I16-Y50 WeakPolarHBondContact CA-O 3.32Å; I16-L51 HydrophobicContact CD1-CD1 4.47Å; I16-L51 HydrophobicContact CG1-CD1 3.63Å; I16-C70 VanDerWaalsContact CD1-SG 3.58Å; I16-L73 HydrophobicContact CG2-CD2 3.88Å
17Y91.4Very high84.6Confident4 Ų455.4 Ų55.42%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-147.4156.6174.360.9-85.3000112.1V2 F3 Y4 L28 D36 Y50 R52V2-Y17 HydrophobicContact CG1-CD2 4.16Å; F3-Y17 CarbonylContact O-C 3.58Å; F3-Y17 WeakPolarHBondContact O-CA 3.39Å; F3-Y17 WeakPolarHBondContact O-CB 3.34Å; Y4-Y17 HydrophobicContact CD1-CG 4.45Å; Y4-Y17 HydrophobicContact CE1-CD1 4.42Å; Y4-Y17 HydrophobicContact CE1-CG 4.2Å; Y17-L28 HydrophobicContact CD2-CD1 4.47Å; Y17-L28 HydrophobicContact CD2-CD2 3.93Å; Y17-L28 HydrophobicContact CE2-CD2 3.79Å; Y17-D36 WeakPolarHBondContact OH-CB 3.37Å; Y17-D36 PolarHBondContact OH-OD1 2.92Å; Y17-D36 PolarHBondContact OH-OD2 3.37Å; Y17-Y50 AromaticContact CD2-CD2 3.98Å; Y17-Y50 HydrophobicContact CD2-CD2 3.98Å; Y17-Y50 HydrophobicContact CD2-CG 4.18Å; Y17-Y50 HydrophobicContact CE2-CD1 4.32Å; Y17-Y50 AromaticContact CE2-CD2 3.64Å; Y17-Y50 HydrophobicContact CE2-CD2 3.64Å; Y17-Y50 AromaticContact CE2-CG 3.5Å; Y17-Y50 HydrophobicContact CE2-CG 3.5Å; Y17-Y50 AromaticContact CZ-CG 3.77Å; Y17-Y50 PolarHBondContact N-O 2.89Å; Y17-Y50 PolarHBondContact O-N 3.47Å; Y17-Y50 WeakPolarHBondContact OH-CB 3.34Å; Y17-R52 HydrophobicContact CE1-CB 4.27Å
18M90.8Very high84.4Confident10 Ų1055.5 Ų55.55%0.04930%0.301CS..EExtended strand (participates in β ladder)trans-148.7150.417767.7-175.9-96.400111F3 F5 A47 H48 V49 N77F3-M18 HydrophobicContact CB-CG 3.91Å; F3-M18 HydrophobicContact CD2-CE 4.29Å; F3-M18 HydrophobicContact CD2-CG 4.08Å; F3-M18 HydrophobicContact CG-CG 4.49Å; F3-M18 PolarHBondContact N-O 3.16Å; F3-M18 PolarHBondContact O-N 3.39Å; F5-M18 HydrophobicContact CE2-CG 3.88Å; F5-M18 HydrophobicContact CE2-SD 3.91Å; F5-M18 HydrophobicContact CZ-SD 4.16Å; M18-A47 HydrophobicContact CE-CB 3.63Å; M18-H48 VanDerWaalsContact CB-O 3.23Å; M18-H48 WeakPolarHBondContact CB-O 3.33Å; M18-V49 HydrophobicContact CB-CG2 4.12Å; M18-V49 HydrophobicContact SD-CG2 4.3Å; M18-N77 HydrophobicContact CE-CB 4.18Å
19G87Confident84.5Confident2 Ų252.6 Ų52.62%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-73.5147.7173.200000111.1D21 N25 L28G19-D21 PolarHBondContact O-N 3.3Å; G19-N25 VanDerWaalsContact CA-OD1 3.25Å; G19-N25 WeakPolarHBondContact CA-OD1 3.36Å; G19-N25 PolarHBondContact N-OD1 3.19Å; G19-L28 VanDerWaalsContact N-CD1 3.26Å
20K84.1Confident84.6Confident128 Ų12856.7 Ų56.756%0.55729%0.289SS*.SBendtrans-62.9-35.6173.4-174.8-169.7-167.9168.20112M1 F3M1-K20 HydrophobicContact CB-CB 4.28Å; M1-K20 HydrophobicContact CB-CD 4.24Å; M1-K20 HydrophobicContact CE-CB 4.3Å; M1-K20 HydrophobicContact CE-CD 3.51Å; M1-K20 HydrophobicContact CE-CG 3.91Å; M1-K20 HydrophobicContact CG-CD 4.42Å; M1-K20 WeakPolarHBondContact O-CB 3.32Å; M1-K20 PolarHBondContact O-N 2.68Å; M1-K20 HydrophobicContact SD-CD 3.74Å; F3-K20 HydrophobicContact CE2-CB 3.95Å; F3-K20 HydrophobicContact CE2-CG 3.99Å; F3-K20 HydrophobicContact CZ-CB 4.4Å; F3-K20 HydrophobicContact CZ-CG 4.15Å
21D84.3Confident84.7Confident61 Ų6157.6 Ų57.633%0.32629%0.289SS..SBendtrans-147.6177.2-171.2119.7-48.2000111.4G19 Y23 E24 N25G19-D21 PolarHBondContact O-N 3.3Å; D21-Y23 PolarHBondContact O-N 2.94Å; D21-Y23 WeakPolarHBondContact OD1-CA 3.49Å; D21-Y23 VanDerWaalsContact OD1-CB 3.31Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.46Å; D21-Y23 WeakPolarHBondContact OD1-CD2 3.48Å; D21-Y23 PolarHBondContact OD1-N 3.48Å; D21-Y23 WeakPolarHBondContact OD2-CD2 3.42Å; D21-E24 PolarHBondContact O-N 2.84Å; D21-E24 PolarHBondContact OD1-N 3.45Å; D21-N25 PolarHBondContact O-N 2.89Å; D21-N25 PolarHBondContact O-ND2 3Å
22K80.1Confident84.8Confident101 Ų10151.4 Ų51.444%0.43925%0.251SS..Hα-helixtrans-63.2-32.4-17866.4-178179.7-177.40114.7E26 V105K22-E26 WeakPolarHBondContact O-CG 3.44Å; K22-E26 PolarHBondContact O-N 3.32Å; K22-V105 HydrophobicContact CB-CG1 3.95Å; K22-V105 HydrophobicContact CD-CB 4.42Å; K22-V105 HydrophobicContact CD-CG1 3.87Å; K22-V105 HydrophobicContact CG-CG1 3.73Å
23Y82.4Confident84.8Confident133 Ų13350.1 Ų50.152%0.52224%0.236SC..Hα-helixtrans-72.2-45.8177.2-58-73.8000110.6D21 N25 E26 D27 V105D21-Y23 PolarHBondContact O-N 2.94Å; D21-Y23 WeakPolarHBondContact OD1-CA 3.49Å; D21-Y23 VanDerWaalsContact OD1-CB 3.31Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.46Å; D21-Y23 WeakPolarHBondContact OD1-CD2 3.48Å; D21-Y23 PolarHBondContact OD1-N 3.48Å; D21-Y23 WeakPolarHBondContact OD2-CD2 3.42Å; Y23-N25 PolarHBondContact O-N 3.47Å; Y23-E26 WeakPolarHBondContact O-CA 3.43Å; Y23-E26 WeakPolarHBondContact O-CB 3.44Å; Y23-E26 PolarHBondContact O-N 2.92Å; Y23-D27 PolarHBondContact O-N 3.41Å; Y23-V105 HydrophobicContact CD1-CG1 4.26Å; Y23-V105 HydrophobicContact CE1-CG1 4.39Å
24E83.9Confident84.7Confident58 Ų5850.4 Ų50.427%0.27124%0.237SC..Hα-helixtrans-59.4-36.3174.4-62.3-70.5171.500111.5M1 D21 E26 D27 L28M1-E24 PolarHBondContact N-OE1 3.28Å; M1-E24 PolarHBondContact N-OE2 3.22Å; D21-E24 PolarHBondContact O-N 2.84Å; D21-E24 PolarHBondContact OD1-N 3.45Å; E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 3.36Å; E24-D27 PolarHBondContact O-N 3.46Å; E24-L28 VanDerWaalsContact O-CG 3.28Å; E24-L28 WeakPolarHBondContact O-CG 3.34Å; E24-L28 PolarHBondContact O-N 2.86Å
25N83.3Confident84.6Confident13 Ų1351.6 Ų51.67%0.0724%0.244CC..Hα-helixtrans-64-33.4174-70.6-26.4000112.4G19 D21 Y23 L28 I29G19-N25 VanDerWaalsContact CA-OD1 3.25Å; G19-N25 WeakPolarHBondContact CA-OD1 3.36Å; G19-N25 PolarHBondContact N-OD1 3.19Å; D21-N25 PolarHBondContact O-N 2.89Å; D21-N25 PolarHBondContact O-ND2 3Å; Y23-N25 PolarHBondContact O-N 3.47Å; N25-L28 PolarHBondContact O-N 2.91Å; N25-I29 WeakPolarHBondContact O-CD1 3.3Å; N25-I29 WeakPolarHBondContact O-CG1 3.37Å; N25-I29 PolarHBondContact O-N 2.9Å
26E82.5Confident84.6Confident64 Ų6449 Ų4930%0.29923%0.228SC..Hα-helixtrans-67.8-41.1175.8-61.3-143123.300111.6K22 Y23 E24 I29 K30 K99 V105K22-E26 WeakPolarHBondContact O-CG 3.44Å; K22-E26 PolarHBondContact O-N 3.32Å; Y23-E26 WeakPolarHBondContact O-CA 3.43Å; Y23-E26 WeakPolarHBondContact O-CB 3.44Å; Y23-E26 PolarHBondContact O-N 2.92Å; E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 3.36Å; E26-I29 PolarHBondContact O-N 3.43Å; E26-K30 WeakPolarHBondContact O-CB 3.4Å; E26-K30 PolarHBondContact O-N 3.48Å; E26-K99 VanDerWaalsContact OE1-CE 3.23Å; E26-K99 WeakPolarHBondContact OE1-CE 3.44Å; E26-K99 IonicContact OE1-NZ 2.99Å; E26-K99 PolarHBondContact OE1-NZ 2.73Å; E26-V105 HydrophobicContact CG-CG1 3.97Å
27D82.3Confident84.6Confident69 Ų6949.3 Ų49.337%0.36923%0.229SC..Hα-helixtrans-64-41.4173.7-75.4-60.4000111.6Y23 E24 I29 K30 Y31 L143Y23-D27 PolarHBondContact O-N 3.41Å; E24-D27 PolarHBondContact O-N 3.46Å; D27-I29 VanDerWaalsContact C-N 3.32Å; D27-I29 PolarHBondContact O-N 3.01Å; D27-K30 PolarHBondContact O-N 3.46Å; D27-K30 VanDerWaalsContact O-N 3.15Å; D27-Y31 HydrophobicContact CB-CD2 4.25Å; D27-Y31 HydrophobicContact CB-CE2 4.39Å; D27-Y31 WeakPolarHBondContact O-CD2 3.38Å; D27-Y31 PolarHBondContact O-N 3.45Å; D27-L143 HydrophobicContact CB-CD1 4.26Å
28L84.2Confident84.6Confident3 Ų349.3 Ų49.32%0.01623%0.229CC..Hα-helixtrans-62.9-36.5174.7-70.2170.5000112.5V2 Y17 G19 E24 N25 G32 Y50 L143V2-L28 HydrophobicContact CG1-CD1 4.36Å; V2-L28 HydrophobicContact CG1-CD2 4.19Å; V2-L28 HydrophobicContact CG2-CD1 4.39Å; V2-L28 HydrophobicContact CG2-CD2 4Å; V2-L28 HydrophobicContact CG2-CG 4.43Å; Y17-L28 HydrophobicContact CD2-CD1 4.47Å; Y17-L28 HydrophobicContact CD2-CD2 3.93Å; Y17-L28 HydrophobicContact CE2-CD2 3.79Å; G19-L28 VanDerWaalsContact N-CD1 3.26Å; E24-L28 VanDerWaalsContact O-CG 3.28Å; E24-L28 WeakPolarHBondContact O-CG 3.34Å; E24-L28 PolarHBondContact O-N 2.86Å; N25-L28 PolarHBondContact O-N 2.91Å; L28-G32 VanDerWaalsContact O-CA 3.26Å; L28-G32 WeakPolarHBondContact O-CA 3.22Å; L28-G32 PolarHBondContact O-N 3.42Å; L28-Y50 HydrophobicContact CB-CE2 3.85Å; L28-Y50 HydrophobicContact CD1-CD2 4.3Å; L28-Y50 HydrophobicContact CD1-CE2 3.94Å; L28-L143 HydrophobicContact CD2-CD1 3.48Å; L28-L143 VanDerWaalsContact CD2-CD1 3.48Å; L28-L143 HydrophobicContact CD2-CD2 3.87Å; L28-L143 HydrophobicContact CD2-CG 4.33Å; L28-L143 HydrophobicContact CG-CD1 4.02Å
29I84.8Confident84.8Confident19 Ų1949 Ų4910%0.09723%0.227CC..Hα-helixtrans-69-39.1174.1-64.8158.3000110.1N25 E26 D27 Y50 W94 I108N25-I29 WeakPolarHBondContact O-CD1 3.3Å; N25-I29 WeakPolarHBondContact O-CG1 3.37Å; N25-I29 PolarHBondContact O-N 2.9Å; E26-I29 PolarHBondContact O-N 3.43Å; D27-I29 VanDerWaalsContact C-N 3.32Å; D27-I29 PolarHBondContact O-N 3.01Å; I29-Y50 WeakPolarHBondContact CG1-OH 3.16Å; I29-W94 WeakPolarHBondContact O-CZ2 3.46Å; I29-W94 PolarHBondContact O-NE1 2.95Å; I29-I108 HydrophobicContact CD1-CD1 3.32Å; I29-I108 HydrophobicContact CD1-CG1 3.77Å; I29-I108 HydrophobicContact CG1-CD1 4.12Å
30K81.5Confident85Confident130 Ų13050.5 Ų50.557%0.56523%0.234SC*.Hα-helixtrans-70.3-40.9-178.7-171.3177179-173.10112.4E26 D27 K147E26-K30 WeakPolarHBondContact O-CB 3.4Å; E26-K30 PolarHBondContact O-N 3.48Å; D27-K30 PolarHBondContact O-N 3.46Å; D27-K30 VanDerWaalsContact O-N 3.15Å; K30-K147 PolarHBondContact O-NZ 2.93Å
31Y80.6Confident85.4Confident57 Ų5744.4 Ų44.422%0.22421%0.207CC..Hα-helixtrans-104.48.2-175.1-55-67.4000114D27 L143 A144 K147D27-Y31 HydrophobicContact CB-CD2 4.25Å; D27-Y31 HydrophobicContact CB-CE2 4.39Å; D27-Y31 WeakPolarHBondContact O-CD2 3.38Å; D27-Y31 PolarHBondContact O-N 3.45Å; Y31-L143 HydrophobicContact CD2-CB 3.99Å; Y31-L143 HydrophobicContact CG-CB 4.14Å; Y31-A144 HydrophobicContact CD1-CB 4.2Å; Y31-A144 HydrophobicContact CE1-CB 3.77Å; Y31-A144 HydrophobicContact CE2-CB 4.2Å; Y31-K147 HydrophobicContact CD1-CD 4.06Å
32G80.4Confident85.6Confident3 Ų344.2 Ų44.23%0.03121%0.206CC..  trans-60156.4174.400000112.8L28 W94 K147L28-G32 VanDerWaalsContact O-CA 3.26Å; L28-G32 WeakPolarHBondContact O-CA 3.22Å; L28-G32 PolarHBondContact O-N 3.42Å; G32-W94 WeakPolarHBondContact O-CZ2 3.36Å; G32-K147 PolarHBondContact O-NZ 3.32Å
33W82.7Confident85.8Confident55 Ų5548.4 Ų48.421%0.20823%0.225CC..  trans-95.1153.2179.9-58.8-2.1000110.3E35 D36 R52 W94W33-E35 PolarHBondContact O-N 3.49Å; W33-E35 VanDerWaalsContact O-N 3.13Å; W33-D36 WeakPolarHBondContact CA-OD2 3.45Å; W33-D36 WeakPolarHBondContact CB-OD2 3.32Å; W33-D36 PolarHBondContact N-OD2 3.23Å; W33-D36 WeakPolarHBondContact O-CB 3.47Å; W33-D36 PolarHBondContact O-N 2.97Å; W33-R52 VanDerWaalsContact CD2-CZ 3.4Å; W33-R52 VanDerWaalsContact CD2-NH2 3.34Å; W33-R52 HydrophobicContact CE3-CG 4.42Å; W33-R52 VanDerWaalsContact CE3-NE 3.28Å; W33-R52 VanDerWaalsContact CH2-NH1 3.31Å; W33-R52 VanDerWaalsContact CZ2-NH1 3.34Å; W33-W94 WeakPolarHBondContact O-CB 3.39Å
34P82.3Confident86Confident81 Ų8143.8 Ų43.853%0.52621%0.209SC..THydrogen-bonded Turntrans-62.2-21.3178.425.2-35.2000113.8
35E85.8Confident86Confident39 Ų3944.7 Ų44.718%0.18222%0.222CC..THydrogen-bonded Turntrans-87.5-12.2179.5-61.8156.7125.900112.7W33 M53 K55 R150W33-E35 PolarHBondContact O-N 3.49Å; W33-E35 VanDerWaalsContact O-N 3.13Å; E35-M53 HydrophobicContact CB-CB 4.44Å; E35-M53 VanDerWaalsContact O-CB 3.28Å; E35-M53 WeakPolarHBondContact O-CB 2.86Å; E35-M53 WeakPolarHBondContact O-CG 3.18Å; E35-M53 PolarHBondContact O-N 2.85Å; E35-K55 WeakPolarHBondContact OE1-CA 3.44Å; E35-K55 WeakPolarHBondContact OE1-CG 3.32Å; E35-R150 IonicContact OE1-NH2 2.79Å; E35-R150 IonicContact OE2-CZ 3.88Å; E35-R150 IonicContact OE2-NH1 3.53Å; E35-R150 PolarHBondContact OE2-NH1 2.91Å; E35-R150 IonicContact OE2-NH2 2.7Å; E35-R150 PolarHBondContact OE2-NH2 3.33Å
36D90.1Very high86.2Confident0 Ų044.8 Ų44.80%022%0.223CC..EExtended strand (participates in β ladder)trans-75.3137.3-178.4-62.6-34.4000109.3Y17 W33 L51 R52 W94Y17-D36 WeakPolarHBondContact OH-CB 3.37Å; Y17-D36 PolarHBondContact OH-OD1 2.92Å; Y17-D36 PolarHBondContact OH-OD2 3.37Å; W33-D36 WeakPolarHBondContact CA-OD2 3.45Å; W33-D36 WeakPolarHBondContact CB-OD2 3.32Å; W33-D36 PolarHBondContact N-OD2 3.23Å; W33-D36 WeakPolarHBondContact O-CB 3.47Å; W33-D36 PolarHBondContact O-N 2.97Å; D36-L51 CarbonylContact C-O 3.55Å; D36-L51 WeakPolarHBondContact CA-O 3.31Å; D36-R52 WeakPolarHBondContact OD1-CA 2.91Å; D36-R52 IonicContact OD1-CZ 3.15Å; D36-R52 IonicContact OD1-NE 2.64Å; D36-R52 PolarHBondContact OD1-NE 3.4Å; D36-R52 IonicContact OD1-NH2 2.86Å; D36-R52 PolarHBondContact OD1-NH2 3.32Å; D36-R52 IonicContact OD2-CZ 3.65Å; D36-R52 IonicContact OD2-NE 2.9Å; D36-R52 IonicContact OD2-NH2 3.5Å; D36-R52 PolarHBondContact OD2-NH2 3.14Å; D36-W94 HydrophobicContact CB-CB 4.32Å; D36-W94 WeakPolarHBondContact O-CB 3.36Å; D36-W94 PolarHBondContact O-N 3.18Å
37I91.6Very high86.5Confident6 Ų642.4 Ų42.43%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-108.8123.4178.2-59-173.3000107.9F39 Y50 L51 M53 I59 I62 Y91I37-F39 HydrophobicContact CB-CE2 4.03Å; I37-F39 HydrophobicContact CG2-CD2 4.24Å; I37-F39 HydrophobicContact CG2-CE2 3.55Å; I37-F39 HydrophobicContact CG2-CZ 3.94Å; I37-F39 WeakPolarHBondContact O-CD2 3.42Å; I37-Y50 CarbonylContact O-C 3.54Å; I37-Y50 VanDerWaalsContact O-CA 3.28Å; I37-Y50 WeakPolarHBondContact O-CA 3.27Å; I37-L51 HydrophobicContact CB-CB 4.37Å; I37-L51 PolarHBondContact N-O 2.82Å; I37-L51 PolarHBondContact O-N 3.28Å; I37-M53 HydrophobicContact CD1-CG 3.54Å; I37-M53 HydrophobicContact CD1-SD 4Å; I37-M53 HydrophobicContact CG1-CG 3.82Å; I37-I59 HydrophobicContact CD1-CB 4.01Å; I37-I59 HydrophobicContact CD1-CD1 4.42Å; I37-I59 HydrophobicContact CD1-CG1 3.98Å; I37-I59 HydrophobicContact CG2-CD1 4.17Å; I37-I62 HydrophobicContact CD1-CD1 3.36Å; I37-I62 HydrophobicContact CD1-CG1 4.06Å; I37-I62 HydrophobicContact CG2-CD1 4.49Å; I37-Y91 HydrophobicContact CG2-CD2 4.18Å
38W92.9Very high86.8Confident4 Ų439.5 Ų39.52%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-92.2138.9-178.6176.488.6000110.6H40 H48 V49 Y50 V90 Y91 T92 L97 I108 F110W38-H40 HydrophobicContact CD2-CB 4.44Å; W38-H40 HydrophobicContact CE3-CB 4.18Å; W38-H40 HydrophobicContact CH2-CB 3.06Å; W38-H40 AromaticContact CH2-CG 3.58Å; W38-H40 HydrophobicContact CZ2-CB 3.3Å; W38-H40 AromaticContact CZ2-CG 3.72Å; W38-H40 HydrophobicContact CZ3-CB 3.52Å; W38-H48 AromaticContact CE2-CD2 3.59Å; W38-H48 AromaticContact CZ2-CD2 3.35Å; W38-H48 WeakPolarHBondContact CZ2-CD2 3.39Å; W38-H48 AromaticContact CZ2-NE2 3.57Å; W38-H48 AromaticContact NE1-CD2 3.34Å; W38-H48 PolarHBondContact NE1-CD2 3.43Å; W38-H48 VanDerWaalsContact NE1-CD2 3.34Å; W38-H48 AromaticContact NE1-CG 3.39Å; W38-V49 CarbonylContact C-O 3.5Å; W38-Y50 HydrophobicContact CB-CD1 4.27Å; W38-Y50 HydrophobicContact CB-CE1 4.23Å; W38-Y50 AromaticContact CD1-CE1 3.42Å; W38-Y50 VanDerWaalsContact CD1-CE1 3.42Å; W38-Y50 AromaticContact CD1-CZ 3.56Å; W38-Y50 HydrophobicContact CG-CE1 4.22Å; W38-V90 HydrophobicContact CH2-CG2 4.48Å; W38-V90 HydrophobicContact CZ3-CG2 3.94Å; W38-Y91 CarbonylContact O-C 3.49Å; W38-Y91 WeakPolarHBondContact O-CA 3.41Å; W38-T92 HydrophobicContact CE3-CG2 3.8Å; W38-T92 HydrophobicContact CZ3-CG2 4.37Å; W38-T92 PolarHBondContact N-O 2.94Å; W38-T92 PolarHBondContact O-N 3.39Å; W38-L97 HydrophobicContact CB-CD1 3.83Å; W38-L97 HydrophobicContact CB-CD2 4.26Å; W38-L97 HydrophobicContact CB-CG 4.46Å; W38-L97 HydrophobicContact CD2-CD1 4.38Å; W38-L97 HydrophobicContact CD2-CD2 3.87Å; W38-L97 HydrophobicContact CE3-CD2 3.93Å; W38-L97 HydrophobicContact CG-CD1 3.8Å; W38-L97 HydrophobicContact CG-CD2 4.07Å; W38-L97 HydrophobicContact CZ3-CD2 4.45Å; W38-I108 HydrophobicContact CZ2-CD1 3.63Å; W38-F110 HydrophobicContact CE3-CE1 4.31Å; W38-F110 HydrophobicContact CH2-CE1 4.24Å; W38-F110 HydrophobicContact CH2-CZ 4.06Å; W38-F110 AromaticContact CZ3-CE1 3.7Å; W38-F110 HydrophobicContact CZ3-CE1 3.7Å; W38-F110 AromaticContact CZ3-CZ 3.74Å; W38-F110 HydrophobicContact CZ3-CZ 3.74Å
39F93.5Very high87.1Confident2 Ų239.4 Ų39.41%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-126.6142.5178.8-65.4-105.3000111I37 V49 L51 L67 C70 V74 V89 V90 Y91I37-F39 HydrophobicContact CB-CE2 4.03Å; I37-F39 HydrophobicContact CG2-CD2 4.24Å; I37-F39 HydrophobicContact CG2-CE2 3.55Å; I37-F39 HydrophobicContact CG2-CZ 3.94Å; I37-F39 WeakPolarHBondContact O-CD2 3.42Å; F39-V49 HydrophobicContact CB-CB 4.33Å; F39-V49 PolarHBondContact N-O 3.45Å; F39-V49 PolarHBondContact O-N 2.93Å; F39-L51 HydrophobicContact CD2-CB 4.44Å; F39-L51 HydrophobicContact CE2-CB 3.68Å; F39-L51 HydrophobicContact CE2-CD2 4.24Å; F39-L51 HydrophobicContact CZ-CD2 4.33Å; F39-L67 HydrophobicContact CE1-CD1 3.77Å; F39-L67 HydrophobicContact CZ-CD1 4.03Å; F39-C70 HydrophobicContact CD1-CB 4Å; F39-C70 HydrophobicContact CD2-CB 4.35Å; F39-C70 HydrophobicContact CE1-CB 3.89Å; F39-C70 HydrophobicContact CE2-CB 4.25Å; F39-C70 HydrophobicContact CG-CB 4.25Å; F39-C70 HydrophobicContact CZ-CB 4.03Å; F39-V74 HydrophobicContact CB-CG2 3.73Å; F39-V89 HydrophobicContact CB-CG1 4.46Å; F39-V89 HydrophobicContact CD1-CG1 4.24Å; F39-V90 WeakPolarHBondContact CA-O 3.44Å; F39-Y91 HydrophobicContact CD1-CG 4.18Å; F39-Y91 VanDerWaalsContact CE1-CB 3.4Å; F39-Y91 HydrophobicContact CE1-CD1 4.42Å; F39-Y91 HydrophobicContact CE1-CD2 4.12Å; F39-Y91 AromaticContact CE1-CG 3.75Å; F39-Y91 HydrophobicContact CE1-CG 3.75Å; F39-Y91 HydrophobicContact CZ-CD2 4.22Å; F39-Y91 HydrophobicContact CZ-CG 4.26Å
40H92.3Very high87.5Confident34 Ų3438.5 Ų38.516%0.15719%0.194CC..EExtended strand (participates in β ladder)trans-158.4157.2177.3-177.7-100.2000111W38 L44 S46 H48 V89 V90W38-H40 HydrophobicContact CD2-CB 4.44Å; W38-H40 HydrophobicContact CE3-CB 4.18Å; W38-H40 HydrophobicContact CH2-CB 3.06Å; W38-H40 AromaticContact CH2-CG 3.58Å; W38-H40 HydrophobicContact CZ2-CB 3.3Å; W38-H40 AromaticContact CZ2-CG 3.72Å; W38-H40 HydrophobicContact CZ3-CB 3.52Å; H40-L44 PolarHBondContact CE1-O 3.35Å; H40-L44 PolarHBondContact NE2-O 3.21Å; H40-S46 PolarHBondContact CD2-OG 2.98Å; H40-S46 PolarHBondContact NE2-OG 2.7Å; H40-H48 AromaticContact CD2-CD2 3.4Å; H40-H48 PolarHBondContact CD2-CD2 2.91Å; H40-H48 AromaticContact CD2-NE2 3.52Å; H40-V89 CarbonylContact O-C 3.53Å; H40-V89 WeakPolarHBondContact O-CA 3.14Å; H40-V89 WeakPolarHBondContact O-CG1 3.21Å; H40-V90 HydrophobicContact CB-CG2 4.07Å; H40-V90 PolarHBondContact N-O 3.46Å; H40-V90 WeakPolarHBondContact O-CG2 3.4Å; H40-V90 PolarHBondContact O-N 3.26Å
41V91.3Very high87.9Confident0 Ų032.3 Ų32.30%017%0.167CC..EExtended strand (participates in β ladder)trans-76.7132.9173.6-177.40000110.9K43 L44 S46 V74 I87V41-K43 PolarHBondContact O-N 3.35Å; V41-L44 HydrophobicContact CB-CB 4.23Å; V41-L44 HydrophobicContact CG1-CB 3.75Å; V41-L44 HydrophobicContact CG1-CD1 3.84Å; V41-L44 HydrophobicContact CG1-CG 4.06Å; V41-S46 WeakPolarHBondContact CB-OG 3.2Å; V41-S46 WeakPolarHBondContact CG2-OG 3.33Å; V41-S46 PolarHBondContact N-OG 2.97Å; V41-V74 HydrophobicContact CG2-CG1 3.53Å; V41-I87 HydrophobicContact CB-CG2 4.48Å; V41-I87 HydrophobicContact CG1-CG2 3.29Å; V41-I87 HydrophobicContact CG2-CG2 4.48Å
42D89.2Confident88.3Confident57 Ų5731.9 Ų31.931%0.30517%0.165SC..THydrogen-bonded Turntrans-59.8127.6174.1-171.551.9000110.8L44 N88 V90D42-L44 PolarHBondContact O-N 2.87Å; D42-N88 HydrophobicContact CB-CB 3.99Å; D42-N88 WeakPolarHBondContact CB-O 3.44Å; D42-N88 PolarHBondContact N-O 2.84Å; D42-V90 HydrophobicContact CB-CG1 4.13Å
43K83.9Confident88.6Confident190 Ų19032 Ų3283%0.82617%0.165SC*.THydrogen-bonded Turntrans60.14.5173-59.3165.4-172.6168.30117.2V41V41-K43 PolarHBondContact O-N 3.35Å
44L86.8Confident88.6Confident35 Ų3531.9 Ų31.918%0.18317%0.171CC..SBendtrans-118.6152179.6-61.1178.5000111H40 V41 D42 S46 Q80 M84H40-L44 PolarHBondContact CE1-O 3.35Å; H40-L44 PolarHBondContact NE2-O 3.21Å; V41-L44 HydrophobicContact CB-CB 4.23Å; V41-L44 HydrophobicContact CG1-CB 3.75Å; V41-L44 HydrophobicContact CG1-CD1 3.84Å; V41-L44 HydrophobicContact CG1-CG 4.06Å; D42-L44 PolarHBondContact O-N 2.87Å; L44-S46 PolarHBondContact O-N 2.87Å; L44-Q80 HydrophobicContact CD2-CB 4.27Å; L44-M84 HydrophobicContact CD1-SD 3.95Å
45S84.9Confident88.3Confident77 Ų7735.5 Ų35.554%0.53818%0.178SC..  trans-70116.8171.2-175.50000109.7S78 I79S45-S78 PolarHBondContact O-OG 3.4Å; S45-I79 PolarHBondContact O-N 3.41Å
46S86.4Confident87.8Confident15 Ų1537.5 Ų37.511%0.10521%0.21CC..BIsolated β-bridgetrans-144.9162.4-179.764.30000112H40 V41 L44H40-S46 PolarHBondContact CD2-OG 2.98Å; H40-S46 PolarHBondContact NE2-OG 2.7Å; V41-S46 WeakPolarHBondContact CB-OG 3.2Å; V41-S46 WeakPolarHBondContact CG2-OG 3.33Å; V41-S46 PolarHBondContact N-OG 2.97Å; L44-S46 PolarHBondContact O-N 2.87Å
47A88.4Confident87.3Confident15 Ų1540.5 Ų40.512%0.12423%0.225CC..  trans-64.6145.6171.900000111.6M18 N77M18-A47 HydrophobicContact CE-CB 3.63Å; A47-N77 HydrophobicContact CB-CB 3.68Å; A47-N77 PolarHBondContact N-O 3.22Å; A47-N77 VanDerWaalsContact N-O 3.13Å
48H89.1Confident86.7Confident8 Ų844.3 Ų44.34%0.03725%0.249CC..  trans-84.2112.4169.5-63.2144.3000109.4M18 W38 H40 Y50 G106 I108M18-H48 VanDerWaalsContact CB-O 3.23Å; M18-H48 WeakPolarHBondContact CB-O 3.33Å; W38-H48 AromaticContact CE2-CD2 3.59Å; W38-H48 AromaticContact CZ2-CD2 3.35Å; W38-H48 WeakPolarHBondContact CZ2-CD2 3.39Å; W38-H48 AromaticContact CZ2-NE2 3.57Å; W38-H48 AromaticContact NE1-CD2 3.34Å; W38-H48 PolarHBondContact NE1-CD2 3.43Å; W38-H48 VanDerWaalsContact NE1-CD2 3.34Å; W38-H48 AromaticContact NE1-CG 3.39Å; H40-H48 AromaticContact CD2-CD2 3.4Å; H40-H48 PolarHBondContact CD2-CD2 2.91Å; H40-H48 AromaticContact CD2-NE2 3.52Å; H48-Y50 HydrophobicContact CB-CE2 3.96Å; H48-G106 PolarHBondContact CE1-O 3.34Å; H48-I108 VanDerWaalsContact CE1-CD1 3.47Å; H48-I108 WeakPolarHBondContact CE1-CD1 3.34Å
49V91.4Very high86.2Confident0 Ų045.4 Ų45.40%025%0.254CS..EExtended strand (participates in β ladder)trans-104.7138.4176.5176.80000108.5I16 M18 W38 F39 L73 V74I16-V49 HydrophobicContact CG2-CG1 3.38Å; M18-V49 HydrophobicContact CB-CG2 4.12Å; M18-V49 HydrophobicContact SD-CG2 4.3Å; W38-V49 CarbonylContact C-O 3.5Å; F39-V49 HydrophobicContact CB-CB 4.33Å; F39-V49 PolarHBondContact N-O 3.45Å; F39-V49 PolarHBondContact O-N 2.93Å; V49-L73 HydrophobicContact CG1-CD2 4.13Å; V49-L73 HydrophobicContact CG2-CD2 4.3Å; V49-L73 HydrophobicContact CG2-CG 4.45Å; V49-V74 HydrophobicContact CB-CG2 3.48Å; V49-V74 VanDerWaalsContact CB-CG2 3.48Å; V49-V74 HydrophobicContact CG1-CG2 4.31Å; V49-V74 HydrophobicContact CG2-CB 4.4Å; V49-V74 HydrophobicContact CG2-CG2 3.36Å
50Y91.6Very high85.5Confident0 Ų052.3 Ų52.30%029%0.287CS..EExtended strand (participates in β ladder)trans-119.6136.6178.8-59.6-94.2000109.5I16 Y17 L28 I29 I37 W38 H48I16-Y50 CarbonylContact C-O 3.19Å; I16-Y50 VanDerWaalsContact CA-O 3.28Å; I16-Y50 WeakPolarHBondContact CA-O 3.32Å; Y17-Y50 AromaticContact CD2-CD2 3.98Å; Y17-Y50 HydrophobicContact CD2-CD2 3.98Å; Y17-Y50 HydrophobicContact CD2-CG 4.18Å; Y17-Y50 HydrophobicContact CE2-CD1 4.32Å; Y17-Y50 AromaticContact CE2-CD2 3.64Å; Y17-Y50 HydrophobicContact CE2-CD2 3.64Å; Y17-Y50 AromaticContact CE2-CG 3.5Å; Y17-Y50 HydrophobicContact CE2-CG 3.5Å; Y17-Y50 AromaticContact CZ-CG 3.77Å; Y17-Y50 PolarHBondContact N-O 2.89Å; Y17-Y50 PolarHBondContact O-N 3.47Å; Y17-Y50 WeakPolarHBondContact OH-CB 3.34Å; L28-Y50 HydrophobicContact CB-CE2 3.85Å; L28-Y50 HydrophobicContact CD1-CD2 4.3Å; L28-Y50 HydrophobicContact CD1-CE2 3.94Å; I29-Y50 WeakPolarHBondContact CG1-OH 3.16Å; I37-Y50 CarbonylContact O-C 3.54Å; I37-Y50 VanDerWaalsContact O-CA 3.28Å; I37-Y50 WeakPolarHBondContact O-CA 3.27Å; W38-Y50 HydrophobicContact CB-CD1 4.27Å; W38-Y50 HydrophobicContact CB-CE1 4.23Å; W38-Y50 AromaticContact CD1-CE1 3.42Å; W38-Y50 VanDerWaalsContact CD1-CE1 3.42Å; W38-Y50 AromaticContact CD1-CZ 3.56Å; W38-Y50 HydrophobicContact CG-CE1 4.22Å; H48-Y50 HydrophobicContact CB-CE2 3.96Å
51L91.4Very high85.2Confident0 Ų055.3 Ų55.30%030%0.304CS..EExtended strand (participates in β ladder)trans-110123.2172.6176.770.1000108.3Y14 I16 D36 I37 F39 M53 I62 V66Y14-L51 HydrophobicContact CD1-CD1 4.05Å; Y14-L51 HydrophobicContact CD1-CG 4.49Å; Y14-L51 HydrophobicContact CG-CD1 4.3Å; I16-L51 HydrophobicContact CD1-CD1 4.47Å; I16-L51 HydrophobicContact CG1-CD1 3.63Å; D36-L51 CarbonylContact C-O 3.55Å; D36-L51 WeakPolarHBondContact CA-O 3.31Å; I37-L51 HydrophobicContact CB-CB 4.37Å; I37-L51 PolarHBondContact N-O 2.82Å; I37-L51 PolarHBondContact O-N 3.28Å; F39-L51 HydrophobicContact CD2-CB 4.44Å; F39-L51 HydrophobicContact CE2-CB 3.68Å; F39-L51 HydrophobicContact CE2-CD2 4.24Å; F39-L51 HydrophobicContact CZ-CD2 4.33Å; L51-M53 HydrophobicContact CD2-SD 3.82Å; L51-M53 HydrophobicContact CG-SD 4.24Å; L51-M53 PolarHBondContact O-N 2.82Å; L51-I62 HydrophobicContact CD2-CD1 4.24Å; L51-I62 HydrophobicContact CD2-CG2 3.98Å; L51-V66 HydrophobicContact CD1-CG1 3.71Å; L51-V66 HydrophobicContact CD2-CG1 4Å
52R88.9Confident84.9Confident49 Ų4956 Ų5619%0.18531%0.308CS..EExtended strand (participates in β ladder)trans-84.5112.6175.5-175.4148.4-71.1176.4-0.4110.2T15 Y17 W33 D36T15-R52 PolarHBondContact O-N 2.99Å; Y17-R52 HydrophobicContact CE1-CB 4.27Å; W33-R52 VanDerWaalsContact CD2-CZ 3.4Å; W33-R52 VanDerWaalsContact CD2-NH2 3.34Å; W33-R52 HydrophobicContact CE3-CG 4.42Å; W33-R52 VanDerWaalsContact CE3-NE 3.28Å; W33-R52 VanDerWaalsContact CH2-NH1 3.31Å; W33-R52 VanDerWaalsContact CZ2-NH1 3.34Å; D36-R52 WeakPolarHBondContact OD1-CA 2.91Å; D36-R52 IonicContact OD1-CZ 3.15Å; D36-R52 IonicContact OD1-NE 2.64Å; D36-R52 PolarHBondContact OD1-NE 3.4Å; D36-R52 IonicContact OD1-NH2 2.86Å; D36-R52 PolarHBondContact OD1-NH2 3.32Å; D36-R52 IonicContact OD2-CZ 3.65Å; D36-R52 IonicContact OD2-NE 2.9Å; D36-R52 IonicContact OD2-NH2 3.5Å; D36-R52 PolarHBondContact OD2-NH2 3.14Å
53M86.9Confident84.9Confident6 Ų654.7 Ų54.73%0.0330%0.302CS..PPolyproline II helixtrans-83.6148.3176.3-64.6-64.9-67.800111.6Y14 E35 I37 L51 L57 I62Y14-M53 HydrophobicContact CD1-SD 4.28Å; Y14-M53 HydrophobicContact CE1-CE 4.17Å; Y14-M53 HydrophobicContact CE1-SD 3.84Å; E35-M53 HydrophobicContact CB-CB 4.44Å; E35-M53 VanDerWaalsContact O-CB 3.28Å; E35-M53 WeakPolarHBondContact O-CB 2.86Å; E35-M53 WeakPolarHBondContact O-CG 3.18Å; E35-M53 PolarHBondContact O-N 2.85Å; I37-M53 HydrophobicContact CD1-CG 3.54Å; I37-M53 HydrophobicContact CD1-SD 4Å; I37-M53 HydrophobicContact CG1-CG 3.82Å; L51-M53 HydrophobicContact CD2-SD 3.82Å; L51-M53 HydrophobicContact CG-SD 4.24Å; L51-M53 PolarHBondContact O-N 2.82Å; M53-L57 HydrophobicContact CE-CB 3.72Å; M53-I62 HydrophobicContact CE-CG1 3.77Å; M53-I62 HydrophobicContact SD-CD1 4.42Å; M53-I62 HydrophobicContact SD-CG1 3.85Å
54P82.1Confident85Confident52 Ų5253.7 Ų53.734%0.33830%0.298SS..PPolyproline II helixtrans-68.2151.7168.6-5.319.3000111.4Y14 G56 L57Y14-P54 HydrophobicContact CE1-CG 4.38Å; P54-G56 PolarHBondContact O-N 3.48Å; P54-L57 HydrophobicContact CB-CD1 3.65Å; P54-L57 HydrophobicContact CG-CD1 3.33Å; P54-L57 PolarHBondContact O-N 2.95Å
55K76.5Confident85.1Confident157 Ų15757.1 Ų57.168%0.68331%0.313SS*.THydrogen-bonded Turntrans-52.4121.8179.3-79.2173.5179.6-169.50111.6E35E35-K55 WeakPolarHBondContact OE1-CA 3.44Å; E35-K55 WeakPolarHBondContact OE1-CG 3.32Å
56G74.8Confident85.4Confident81 Ų8153.4 Ų53.484%0.83529%0.287SS*.THydrogen-bonded Turntrans95.6-3.5173.500000116P54P54-G56 PolarHBondContact O-N 3.48Å
57L78.7Confident85.6Confident63 Ų6353.6 Ų53.633%0.3329%0.287SS..  trans-89148.6174.6-73.9149.2000111.4M53 P54 D61M53-L57 HydrophobicContact CE-CB 3.72Å; P54-L57 HydrophobicContact CB-CD1 3.65Å; P54-L57 HydrophobicContact CG-CD1 3.33Å; P54-L57 PolarHBondContact O-N 2.95Å; L57-D61 HydrophobicContact CD2-CB 3.63Å; L57-D61 VanDerWaalsContact CD2-CG 3.42Å; L57-D61 WeakPolarHBondContact CD2-OD1 3.3Å
58T79.9Confident85.7Confident85 Ų8556.4 Ų56.452%0.52130%0.299SS..  trans-106.5166.6178.766.30000110.9E60 D61T58-E60 PolarHBondContact O-N 3.17Å; T58-D61 PolarHBondContact O-N 3.49Å
59I81.3Confident85.7Confident27 Ų2756.1 Ų56.114%0.13830%0.298CS..THydrogen-bonded Turntrans-57.2-14.7175.5-168.1158.6000113.9I37 I62 Y91 P93 K117I37-I59 HydrophobicContact CD1-CB 4.01Å; I37-I59 HydrophobicContact CD1-CD1 4.42Å; I37-I59 HydrophobicContact CD1-CG1 3.98Å; I37-I59 HydrophobicContact CG2-CD1 4.17Å; I59-I62 HydrophobicContact CG1-CD1 4.07Å; I59-Y91 HydrophobicContact CD1-CD2 3.62Å; I59-Y91 HydrophobicContact CD1-CE2 3.83Å; I59-Y91 HydrophobicContact CG1-CD2 3.77Å; I59-Y91 HydrophobicContact CG1-CE2 3.56Å; I59-P93 HydrophobicContact CD1-CG 4.06Å; I59-K117 HydrophobicContact CG1-CD 4.39Å
60E80.6Confident85.7Confident148 Ų14856.1 Ų56.169%0.69230%0.298SS*.THydrogen-bonded Turntrans-87.1-24.6178.8-73.3179.3168.400113.4T58 I62 K117T58-E60 PolarHBondContact O-N 3.17Å; E60-I62 VanDerWaalsContact C-N 3.27Å; E60-I62 PolarHBondContact O-N 2.82Å; E60-K117 IonicContact OE1-NZ 2.71Å; E60-K117 PolarHBondContact OE1-NZ 2.82Å
61D84.6Confident85.7Confident97 Ų9756.1 Ų56.152%0.51930%0.298SS..SBendtrans-86-2.1-179.1-151.1-100.1000112.4L57 T58 P63L57-D61 HydrophobicContact CD2-CB 3.63Å; L57-D61 VanDerWaalsContact CD2-CG 3.42Å; L57-D61 WeakPolarHBondContact CD2-OD1 3.3Å; T58-D61 PolarHBondContact O-N 3.49Å; D61-P63 VanDerWaalsContact O-CD 3.31Å; D61-P63 WeakPolarHBondContact O-CD 3.48Å; D61-P63 VanDerWaalsContact O-N 3.17Å
62I85.4Confident85.7Confident14 Ų1456.5 Ų56.57%0.07230%0.3CS..SBendtrans-63.4121.5178.8-50.9172.2000108.9I37 L51 M53 I59 E60 K64 V66 L67 Y91I37-I62 HydrophobicContact CD1-CD1 3.36Å; I37-I62 HydrophobicContact CD1-CG1 4.06Å; I37-I62 HydrophobicContact CG2-CD1 4.49Å; L51-I62 HydrophobicContact CD2-CD1 4.24Å; L51-I62 HydrophobicContact CD2-CG2 3.98Å; M53-I62 HydrophobicContact CE-CG1 3.77Å; M53-I62 HydrophobicContact SD-CD1 4.42Å; M53-I62 HydrophobicContact SD-CG1 3.85Å; I59-I62 HydrophobicContact CG1-CD1 4.07Å; E60-I62 VanDerWaalsContact C-N 3.27Å; E60-I62 PolarHBondContact O-N 2.82Å; I62-K64 PolarHBondContact O-N 3.28Å; I62-V66 HydrophobicContact CG2-CB 4.39Å; I62-V66 HydrophobicContact CG2-CG1 4.44Å; I62-L67 HydrophobicContact CD1-CD1 4.39Å; I62-L67 HydrophobicContact CG2-CB 4.39Å; I62-L67 HydrophobicContact CG2-CD1 4.36Å; I62-Y91 HydrophobicContact CD1-CE2 4.4Å
63P88.6Confident85.8Confident30 Ų3054.2 Ų54.220%0.19529%0.291CS..  trans-62.6137175.924.5-32.3000109.9V10 Y14 D61 E65 V66 L67V10-P63 HydrophobicContact CB-CG 4.21Å; V10-P63 HydrophobicContact CG1-CG 4.22Å; V10-P63 HydrophobicContact CG2-CB 3.84Å; V10-P63 HydrophobicContact CG2-CG 3.74Å; Y14-P63 HydrophobicContact CE2-CG 4Å; D61-P63 VanDerWaalsContact O-CD 3.31Å; D61-P63 WeakPolarHBondContact O-CD 3.48Å; D61-P63 VanDerWaalsContact O-N 3.17Å; P63-E65 PolarHBondContact O-N 2.72Å; P63-V66 HydrophobicContact CG-CB 4.01Å; P63-V66 HydrophobicContact CG-CG2 3.66Å; P63-V66 PolarHBondContact O-N 3.03Å; P63-L67 PolarHBondContact O-N 2.98Å; P63-L67 VanDerWaalsContact O-N 3.1Å
64K87.6Confident86Confident169 Ų16954 Ų5474%0.73529%0.29SS*.Hα-helixtrans-54.9-31.2-177.1-65.4178.7-178.4175.60112.5I62 L67 I68I62-K64 PolarHBondContact O-N 3.28Å; K64-L67 WeakPolarHBondContact O-CB 3.23Å; K64-L67 PolarHBondContact O-N 3.24Å; K64-I68 WeakPolarHBondContact O-CD1 3.47Å; K64-I68 WeakPolarHBondContact O-CG1 3.41Å; K64-I68 PolarHBondContact O-N 3.46Å
65E88.6Confident86.4Confident106 Ų10651.5 Ų51.550%0.49527%0.274SS..Hα-helixtrans-65.9-45.6179.1-59.4-175.5120.900112.4V9 P63 L67 I68 D69V9-E65 HydrophobicContact CB-CB 4.45Å; V9-E65 HydrophobicContact CG1-CB 3.66Å; V9-E65 HydrophobicContact CG1-CG 4.23Å; P63-E65 PolarHBondContact O-N 2.72Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 2.95Å; E65-I68 PolarHBondContact O-N 3.2Å; E65-D69 PolarHBondContact O-N 3.05Å
66V89.6Confident87.1Confident0 Ų045.7 Ų45.70%025%0.25CS..Hα-helixtrans-66.4-37.5175.5176.10000110.5V10 Y14 L51 I62 P63 I68 D69 C70V10-V66 HydrophobicContact CB-CG2 4.39Å; V10-V66 HydrophobicContact CG2-CG2 4.05Å; Y14-V66 HydrophobicContact CD1-CG1 4.49Å; Y14-V66 HydrophobicContact CD2-CG1 4.39Å; Y14-V66 HydrophobicContact CD2-CG2 3.68Å; Y14-V66 HydrophobicContact CE2-CG2 4.15Å; Y14-V66 HydrophobicContact CG-CG1 4.06Å; Y14-V66 HydrophobicContact CG-CG2 4.19Å; L51-V66 HydrophobicContact CD1-CG1 3.71Å; L51-V66 HydrophobicContact CD2-CG1 4Å; I62-V66 HydrophobicContact CG2-CB 4.39Å; I62-V66 HydrophobicContact CG2-CG1 4.44Å; P63-V66 HydrophobicContact CG-CB 4.01Å; P63-V66 HydrophobicContact CG-CG2 3.66Å; P63-V66 PolarHBondContact O-N 3.03Å; V66-I68 VanDerWaalsContact C-N 3.32Å; V66-I68 PolarHBondContact O-N 2.86Å; V66-D69 WeakPolarHBondContact O-CB 3.38Å; V66-D69 PolarHBondContact O-N 2.8Å; V66-C70 PolarHBondContact O-N 2.78Å; V66-C70 PolarHBondContact O-SG 3.01Å; V66-C70 VanDerWaalsContact O-SG 3.35Å
67L90.6Very high87.7Confident19 Ų1944.6 Ų44.610%0.09923%0.225CC..Hα-helixtrans-60.3-43174.7-164.379.9000111.6F39 I62 P63 K64 E65 A71 Y91 V119F39-L67 HydrophobicContact CE1-CD1 3.77Å; F39-L67 HydrophobicContact CZ-CD1 4.03Å; I62-L67 HydrophobicContact CD1-CD1 4.39Å; I62-L67 HydrophobicContact CG2-CB 4.39Å; I62-L67 HydrophobicContact CG2-CD1 4.36Å; P63-L67 PolarHBondContact O-N 2.98Å; P63-L67 VanDerWaalsContact O-N 3.1Å; K64-L67 WeakPolarHBondContact O-CB 3.23Å; K64-L67 PolarHBondContact O-N 3.24Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 2.95Å; L67-A71 VanDerWaalsContact O-CB 3.27Å; L67-A71 WeakPolarHBondContact O-CB 3.47Å; L67-A71 PolarHBondContact O-N 3.34Å; L67-Y91 HydrophobicContact CD1-CD1 4.46Å; L67-Y91 HydrophobicContact CD1-CD2 4.02Å; L67-Y91 HydrophobicContact CD1-CE1 4.25Å; L67-Y91 HydrophobicContact CD1-CE2 3.72Å; L67-Y91 HydrophobicContact CD1-CG 4.38Å; L67-V119 HydrophobicContact CD1-CG2 4.34Å; L67-V119 HydrophobicContact CD2-CG2 3.29Å; L67-V119 HydrophobicContact CG-CG2 3.83Å
68I90.5Very high88.1Confident73 Ų7341.8 Ų41.837%0.37421%0.211SC..Hα-helixtrans-66.1-43.4175.9-68.3161.8000110.3K64 E65 V66 C70 A71 Q72 I128K64-I68 WeakPolarHBondContact O-CD1 3.47Å; K64-I68 WeakPolarHBondContact O-CG1 3.41Å; K64-I68 PolarHBondContact O-N 3.46Å; E65-I68 PolarHBondContact O-N 3.2Å; V66-I68 VanDerWaalsContact C-N 3.32Å; V66-I68 PolarHBondContact O-N 2.86Å; I68-C70 PolarHBondContact O-N 2.64Å; I68-A71 PolarHBondContact O-N 2.99Å; I68-Q72 HydrophobicContact CG2-CG 4Å; I68-Q72 WeakPolarHBondContact O-CB 3.43Å; I68-Q72 WeakPolarHBondContact O-CG 3.21Å; I68-Q72 PolarHBondContact O-N 3.13Å; I68-I128 HydrophobicContact CG2-CD1 3.77Å
69D91.1Very high88.3Confident2 Ų243.9 Ų43.91%0.01122%0.218CC..Hα-helixtrans-55.4-50.6175.4-80.45.7000111.3S7 V9 E65 V66 A71 Q72 L73 I128 R131 V132S7-D69 PolarHBondContact OG-OD2 3.06Å; V9-D69 WeakPolarHBondContact CG2-OD2 3.28Å; E65-D69 PolarHBondContact O-N 3.05Å; V66-D69 WeakPolarHBondContact O-CB 3.38Å; V66-D69 PolarHBondContact O-N 2.8Å; D69-A71 PolarHBondContact O-N 2.79Å; D69-Q72 PolarHBondContact O-N 3.02Å; D69-L73 WeakPolarHBondContact O-CB 3.46Å; D69-L73 PolarHBondContact O-N 3.4Å; D69-I128 HydrophobicContact CB-CG2 4.42Å; D69-I128 WeakPolarHBondContact OD1-CG2 3.38Å; D69-R131 IonicContact OD1-CZ 3.9Å; D69-R131 IonicContact OD1-NH2 2.76Å; D69-R131 PolarHBondContact OD1-NH2 3.1Å; D69-R131 IonicContact OD2-NH2 3.07Å; D69-V132 HydrophobicContact CB-CG2 4.03Å
70C91.2Very high88.4Confident0 Ų047.8 Ų47.80%024%0.235CC..Hα-helixtrans-60.2-46.8176.7-68.90000111.7I16 F39 V66 I68 Q72 L73 V74I16-C70 VanDerWaalsContact CD1-SG 3.58Å; F39-C70 HydrophobicContact CD1-CB 4Å; F39-C70 HydrophobicContact CD2-CB 4.35Å; F39-C70 HydrophobicContact CE1-CB 3.89Å; F39-C70 HydrophobicContact CE2-CB 4.25Å; F39-C70 HydrophobicContact CG-CB 4.25Å; F39-C70 HydrophobicContact CZ-CB 4.03Å; V66-C70 PolarHBondContact O-N 2.78Å; V66-C70 PolarHBondContact O-SG 3.01Å; V66-C70 VanDerWaalsContact O-SG 3.35Å; I68-C70 PolarHBondContact O-N 2.64Å; C70-Q72 PolarHBondContact O-N 2.84Å; C70-L73 PolarHBondContact O-N 3.45Å; C70-V74 WeakPolarHBondContact O-CB 3.4Å; C70-V74 VanDerWaalsContact O-CG2 3.24Å; C70-V74 WeakPolarHBondContact O-CG2 3.22Å; C70-V74 PolarHBondContact O-N 2.71Å
71A91.4Very high88.3Confident1 Ų140.8 Ų40.81%0.00820%0.202CC..Hα-helixtrans-66.3-38.2-177.500000112.3L67 I68 D69 K75 V89 V119 V121L67-A71 VanDerWaalsContact O-CB 3.27Å; L67-A71 WeakPolarHBondContact O-CB 3.47Å; L67-A71 PolarHBondContact O-N 3.34Å; I68-A71 PolarHBondContact O-N 2.99Å; D69-A71 PolarHBondContact O-N 2.79Å; A71-K75 VanDerWaalsContact O-CB 3.27Å; A71-K75 WeakPolarHBondContact O-CB 3.35Å; A71-K75 PolarHBondContact O-N 3.17Å; A71-V89 HydrophobicContact CB-CB 4.22Å; A71-V89 HydrophobicContact CB-CG1 4.3Å; A71-V89 HydrophobicContact CB-CG2 4.07Å; A71-V119 HydrophobicContact CB-CG1 4.35Å; A71-V121 HydrophobicContact CB-CG2 3.58Å
72Q91.1Very high88.3Confident8 Ų838 Ų384%0.03719%0.19CC..Hα-helixtrans-67.2-40174-69.6-68.3-15.700111.5I68 D69 C70 K75 N76 V121 K123 I128 V129I68-Q72 HydrophobicContact CG2-CG 4Å; I68-Q72 WeakPolarHBondContact O-CB 3.43Å; I68-Q72 WeakPolarHBondContact O-CG 3.21Å; I68-Q72 PolarHBondContact O-N 3.13Å; D69-Q72 PolarHBondContact O-N 3.02Å; C70-Q72 PolarHBondContact O-N 2.84Å; Q72-K75 PolarHBondContact O-N 3.49Å; Q72-N76 WeakPolarHBondContact O-CB 3.49Å; Q72-N76 PolarHBondContact O-N 3.2Å; Q72-V121 VanDerWaalsContact NE2-CG1 3.3Å; Q72-K123 PolarHBondContact NE2-O 3.29Å; Q72-I128 HydrophobicContact CB-CG2 4.15Å; Q72-I128 HydrophobicContact CG-CG2 4.23Å; Q72-V129 HydrophobicContact CB-CG2 3.95Å
73L91.4Very high88.2Confident1 Ų146.1 Ų46.11%0.00523%0.225CC..Hα-helixtrans-63.9-45.9176.7-173.767.4000111.7F5 I16 V49 D69 C70 N76 N77 V132F5-L73 HydrophobicContact CD2-CD2 3.86Å; F5-L73 HydrophobicContact CE1-CD1 4.33Å; F5-L73 HydrophobicContact CE2-CD2 3.88Å; F5-L73 HydrophobicContact CG-CD2 4.3Å; F5-L73 HydrophobicContact CZ-CD1 4.25Å; F5-L73 HydrophobicContact CZ-CD2 4.33Å; I16-L73 HydrophobicContact CG2-CD2 3.88Å; V49-L73 HydrophobicContact CG1-CD2 4.13Å; V49-L73 HydrophobicContact CG2-CD2 4.3Å; V49-L73 HydrophobicContact CG2-CG 4.45Å; D69-L73 WeakPolarHBondContact O-CB 3.46Å; D69-L73 PolarHBondContact O-N 3.4Å; C70-L73 PolarHBondContact O-N 3.45Å; L73-N76 PolarHBondContact O-N 3.18Å; L73-N77 WeakPolarHBondContact O-CB 3.39Å; L73-N77 PolarHBondContact O-N 3.28Å; L73-N77 PolarHBondContact O-ND2 3.12Å; L73-V132 HydrophobicContact CD1-CG1 4.36Å; L73-V132 HydrophobicContact CD2-CG1 4.31Å
74V91.3Very high88Confident0 Ų049 Ų490%024%0.237CC..Hα-helixtrans-61.2-44.6176170.20000111F39 V41 V49 C70 N77 S78 V89F39-V74 HydrophobicContact CB-CG2 3.73Å; V41-V74 HydrophobicContact CG2-CG1 3.53Å; V49-V74 HydrophobicContact CB-CG2 3.48Å; V49-V74 VanDerWaalsContact CB-CG2 3.48Å; V49-V74 HydrophobicContact CG1-CG2 4.31Å; V49-V74 HydrophobicContact CG2-CB 4.4Å; V49-V74 HydrophobicContact CG2-CG2 3.36Å; C70-V74 WeakPolarHBondContact O-CB 3.4Å; C70-V74 VanDerWaalsContact O-CG2 3.24Å; C70-V74 WeakPolarHBondContact O-CG2 3.22Å; C70-V74 PolarHBondContact O-N 2.71Å; V74-N77 CarbonylContact O-C 3.54Å; V74-N77 PolarHBondContact O-N 2.87Å; V74-S78 PolarHBondContact O-N 2.93Å; V74-V89 HydrophobicContact CB-CG1 4.49Å; V74-V89 HydrophobicContact CG1-CG1 4.23Å
75K89.9Confident88Confident1 Ų146.3 Ų46.30%0.00423%0.231CC..Hα-helixtrans-62.5-42.8176.3-179.6170.9-178160.20112A71 Q72 N77 S78 G81 C82 M84 I87 V121A71-K75 VanDerWaalsContact O-CB 3.27Å; A71-K75 WeakPolarHBondContact O-CB 3.35Å; A71-K75 PolarHBondContact O-N 3.17Å; Q72-K75 PolarHBondContact O-N 3.49Å; K75-N77 VanDerWaalsContact C-N 3.3Å; K75-N77 PolarHBondContact O-N 3.42Å; K75-S78 PolarHBondContact O-N 3.2Å; K75-G81 WeakPolarHBondContact CE-O 3.45Å; K75-C82 WeakPolarHBondContact O-CA 3.42Å; K75-C82 PolarHBondContact O-N 3.04Å; K75-M84 WeakPolarHBondContact CE-O 3.49Å; K75-M84 PolarHBondContact NZ-O 3.01Å; K75-I87 HydrophobicContact CD-CD1 4.18Å; K75-I87 HydrophobicContact CG-CD1 4.22Å; K75-V121 HydrophobicContact CD-CB 4.39Å; K75-V121 HydrophobicContact CD-CG1 3.81Å; K75-V121 PolarHBondContact NZ-O 3.5Å
76N90.2Very high87.8Confident34 Ų3446.6 Ų46.618%0.18224%0.236CC..Hα-helixtrans-62.5-39.2177.6-171.358.2000111.6Q72 L73 S78 K124 V129 E133Q72-N76 WeakPolarHBondContact O-CB 3.49Å; Q72-N76 PolarHBondContact O-N 3.2Å; L73-N76 PolarHBondContact O-N 3.18Å; N76-S78 VanDerWaalsContact C-N 3.29Å; N76-S78 PolarHBondContact O-N 2.92Å; N76-K124 WeakPolarHBondContact OD1-CE 3.19Å; N76-K124 PolarHBondContact OD1-NZ 2.76Å; N76-V129 HydrophobicContact CB-CG1 3.97Å; N76-V129 HydrophobicContact CB-CG2 4.12Å; N76-V129 WeakPolarHBondContact ND2-CG1 3.28Å; N76-E133 PolarHBondContact ND2-OE1 3.29Å
77N88.7Confident87.8Confident58 Ų5847 Ų4731%0.3124%0.238SC..THydrogen-bonded Turntrans-91.425.8178.7-67.4-79.1000113.3M18 A47 L73 V74 K75M18-N77 HydrophobicContact CE-CB 4.18Å; A47-N77 HydrophobicContact CB-CB 3.68Å; A47-N77 PolarHBondContact N-O 3.22Å; A47-N77 VanDerWaalsContact N-O 3.13Å; L73-N77 WeakPolarHBondContact O-CB 3.39Å; L73-N77 PolarHBondContact O-N 3.28Å; L73-N77 PolarHBondContact O-ND2 3.12Å; V74-N77 CarbonylContact O-C 3.54Å; V74-N77 PolarHBondContact O-N 2.87Å; K75-N77 VanDerWaalsContact C-N 3.3Å; K75-N77 PolarHBondContact O-N 3.42Å
78S86.6Confident87.9Confident4 Ų449.6 Ų49.63%0.02825%0.252CS..BIsolated β-bridgetrans-107.3133.4172.3179.50000111.4S45 V74 K75 N76 Q80 G81 C82S45-S78 PolarHBondContact O-OG 3.4Å; V74-S78 PolarHBondContact O-N 2.93Å; K75-S78 PolarHBondContact O-N 3.2Å; N76-S78 VanDerWaalsContact C-N 3.29Å; N76-S78 PolarHBondContact O-N 2.92Å; S78-Q80 PolarHBondContact O-N 2.83Å; S78-G81 WeakPolarHBondContact OG-CA 3.46Å; S78-G81 PolarHBondContact OG-N 2.93Å; S78-C82 VanDerWaalsContact O-CB 3.31Å; S78-C82 WeakPolarHBondContact O-CB 3.35Å; S78-C82 PolarHBondContact O-N 3.01Å; S78-C82 PolarHBondContact O-SG 2.77Å
79I84.3Confident87.9Confident130 Ų13046.2 Ų46.267%0.66723%0.234SC*.THydrogen-bonded Turntrans-60.4-51-176.7-60174.3000110.6S45S45-I79 PolarHBondContact O-N 3.41Å
80Q82.3Confident88Confident109 Ų10946.6 Ų46.651%0.50924%0.237SC..THydrogen-bonded Turntrans-96.1-33179.5-69.5-179.5-22.700112L44 S78 C82 K83 M84L44-Q80 HydrophobicContact CD2-CB 4.27Å; S78-Q80 PolarHBondContact O-N 2.83Å; Q80-C82 VanDerWaalsContact C-N 3.3Å; Q80-C82 PolarHBondContact O-N 2.87Å; Q80-K83 PolarHBondContact O-N 3.43Å; Q80-M84 HydrophobicContact CB-CE 4.19Å
81G80.2Confident88.1Confident0 Ų047.9 Ų47.90%024%0.242CC..THydrogen-bonded Turntrans-69.7-21.6-175.900000114.5K75 S78 K83 M84 I87K75-G81 WeakPolarHBondContact CE-O 3.45Å; S78-G81 WeakPolarHBondContact OG-CA 3.46Å; S78-G81 PolarHBondContact OG-N 2.93Å; G81-K83 PolarHBondContact O-N 2.96Å; G81-M84 PolarHBondContact O-N 2.96Å; G81-I87 VanDerWaalsContact CA-CD1 3.41Å; G81-I87 WeakPolarHBondContact O-CD1 3.4Å
82C84.2Confident88.2Confident39 Ų3947.8 Ų47.826%0.26424%0.241SC..THydrogen-bonded Turntrans-62.6-26.8178.763.60000113.8K75 S78 Q80K75-C82 WeakPolarHBondContact O-CA 3.42Å; K75-C82 PolarHBondContact O-N 3.04Å; S78-C82 VanDerWaalsContact O-CB 3.31Å; S78-C82 WeakPolarHBondContact O-CB 3.35Å; S78-C82 PolarHBondContact O-N 3.01Å; S78-C82 PolarHBondContact O-SG 2.77Å; Q80-C82 VanDerWaalsContact C-N 3.3Å; Q80-C82 PolarHBondContact O-N 2.87Å
83K83.6Confident88.2Confident185 Ų18548.9 Ų48.980%0.80425%0.249SC*.THydrogen-bonded Turntrans-102.2-15.1-177.2-64178.5-173.9178.20113.9Q80 G81Q80-K83 PolarHBondContact O-N 3.43Å; G81-K83 PolarHBondContact O-N 2.96Å
84M84.1Confident88.1Confident90 Ų9051.3 Ų51.344%0.44326%0.258SS..  trans-86.6143.8-178-65.7177-176.700111.1L44 K75 Q80 G81 I87L44-M84 HydrophobicContact CD1-SD 3.95Å; K75-M84 WeakPolarHBondContact CE-O 3.49Å; K75-M84 PolarHBondContact NZ-O 3.01Å; Q80-M84 HydrophobicContact CB-CE 4.19Å; G81-M84 PolarHBondContact O-N 2.96Å; M84-I87 HydrophobicContact CB-CD1 3.74Å; M84-I87 HydrophobicContact CB-CG1 3.93Å; M84-I87 WeakPolarHBondContact O-CD1 3.31Å
85N86.4Confident87.9Confident112 Ų11254.5 Ų54.560%0.59928%0.284SS*.SBendtrans-93.9160170.3-64.2-39.9000109.5E122N85-E122 CarbonylContact C-O 3.58Å; N85-E122 VanDerWaalsContact CA-O 3.29Å; N85-E122 WeakPolarHBondContact CA-O 3.34Å; N85-E122 WeakPolarHBondContact CB-O 3.13Å
86N86.1Confident87.9Confident113 Ų11354.7 Ų54.760%0.60429%0.285SS*.SBendtrans55.458.5177.1-57-30.1000112.9V121 E122N86-V121 PolarHBondContact N-O 2.99Å; N86-E122 PolarHBondContact N-O 2.98Å; N86-E122 WeakPolarHBondContact OD1-CA 3.47Å
87I89.1Confident87.8Confident9 Ų953.9 Ų53.95%0.04628%0.281CS..EExtended strand (participates in β ladder)trans-98.5141.4-179.8-61.9177.3000109.6V41 K75 G81 M84 V121V41-I87 HydrophobicContact CB-CG2 4.48Å; V41-I87 HydrophobicContact CG1-CG2 3.29Å; V41-I87 HydrophobicContact CG2-CG2 4.48Å; K75-I87 HydrophobicContact CD-CD1 4.18Å; K75-I87 HydrophobicContact CG-CD1 4.22Å; G81-I87 VanDerWaalsContact CA-CD1 3.41Å; G81-I87 WeakPolarHBondContact O-CD1 3.4Å; M84-I87 HydrophobicContact CB-CD1 3.74Å; M84-I87 HydrophobicContact CB-CG1 3.93Å; M84-I87 WeakPolarHBondContact O-CD1 3.31Å; I87-V121 PolarHBondContact N-O 3.23Å; I87-V121 PolarHBondContact O-N 2.84Å
88N91.6Very high87.8Confident73 Ų7355.3 Ų55.339%0.3929%0.285SS..EExtended strand (participates in β ladder)trans-92.4122.5172.5-68.8-20.3000109.7D42 V118D42-N88 HydrophobicContact CB-CB 3.99Å; D42-N88 WeakPolarHBondContact CB-O 3.44Å; D42-N88 PolarHBondContact N-O 2.84Å; N88-V118 HydrophobicContact CB-CG1 3.63Å
89V92.1Very high87.7Confident1 Ų158.3 Ų58.31%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-100122.6169.9179.40000107.6F39 H40 A71 V74 V118 V119 V121F39-V89 HydrophobicContact CB-CG1 4.46Å; F39-V89 HydrophobicContact CD1-CG1 4.24Å; H40-V89 CarbonylContact O-C 3.53Å; H40-V89 WeakPolarHBondContact O-CA 3.14Å; H40-V89 WeakPolarHBondContact O-CG1 3.21Å; A71-V89 HydrophobicContact CB-CB 4.22Å; A71-V89 HydrophobicContact CB-CG1 4.3Å; A71-V89 HydrophobicContact CB-CG2 4.07Å; V74-V89 HydrophobicContact CB-CG1 4.49Å; V74-V89 HydrophobicContact CG1-CG1 4.23Å; V89-V118 CarbonylContact O-C 3.6Å; V89-V118 WeakPolarHBondContact O-CA 3.46Å; V89-V119 PolarHBondContact N-O 2.92Å; V89-V119 PolarHBondContact O-N 2.8Å; V89-V121 HydrophobicContact CG2-CG2 4.07Å
90V92.8Very high87.6Confident10 Ų1054.3 Ų54.36%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-87.2142.7173.5-67.60000109.6W38 F39 H40 D42 V116 K117 V118W38-V90 HydrophobicContact CH2-CG2 4.48Å; W38-V90 HydrophobicContact CZ3-CG2 3.94Å; F39-V90 WeakPolarHBondContact CA-O 3.44Å; H40-V90 HydrophobicContact CB-CG2 4.07Å; H40-V90 PolarHBondContact N-O 3.46Å; H40-V90 WeakPolarHBondContact O-CG2 3.4Å; H40-V90 PolarHBondContact O-N 3.26Å; D42-V90 HydrophobicContact CB-CG1 4.13Å; V90-V116 HydrophobicContact CB-CG1 3.91Å; V90-V116 HydrophobicContact CG1-CG1 4.04Å; V90-K117 CarbonylContact C-O 3.49Å; V90-K117 WeakPolarHBondContact CA-O 3.36Å; V90-V118 HydrophobicContact CG1-CG2 4.17Å
91Y92.9Very high87.5Confident27 Ų2753.3 Ų53.311%0.10630%0.297CS..EExtended strand (participates in β ladder)trans-141.5139.8172.567.1-71.5000111.3I37 W38 F39 I59 I62 L67 K117 V119I37-Y91 HydrophobicContact CG2-CD2 4.18Å; W38-Y91 CarbonylContact O-C 3.49Å; W38-Y91 WeakPolarHBondContact O-CA 3.41Å; F39-Y91 HydrophobicContact CD1-CG 4.18Å; F39-Y91 VanDerWaalsContact CE1-CB 3.4Å; F39-Y91 HydrophobicContact CE1-CD1 4.42Å; F39-Y91 HydrophobicContact CE1-CD2 4.12Å; F39-Y91 AromaticContact CE1-CG 3.75Å; F39-Y91 HydrophobicContact CE1-CG 3.75Å; F39-Y91 HydrophobicContact CZ-CD2 4.22Å; F39-Y91 HydrophobicContact CZ-CG 4.26Å; I59-Y91 HydrophobicContact CD1-CD2 3.62Å; I59-Y91 HydrophobicContact CD1-CE2 3.83Å; I59-Y91 HydrophobicContact CG1-CD2 3.77Å; I59-Y91 HydrophobicContact CG1-CE2 3.56Å; I62-Y91 HydrophobicContact CD1-CE2 4.4Å; L67-Y91 HydrophobicContact CD1-CD1 4.46Å; L67-Y91 HydrophobicContact CD1-CD2 4.02Å; L67-Y91 HydrophobicContact CD1-CE1 4.25Å; L67-Y91 HydrophobicContact CD1-CE2 3.72Å; L67-Y91 HydrophobicContact CD1-CG 4.38Å; Y91-K117 HydrophobicContact CD1-CB 3.88Å; Y91-K117 VanDerWaalsContact CD1-O 3.31Å; Y91-K117 WeakPolarHBondContact CD1-O 3.46Å; Y91-K117 HydrophobicContact CD2-CB 4.31Å; Y91-K117 HydrophobicContact CE1-CB 3.25Å; Y91-K117 HydrophobicContact CE2-CB 3.81Å; Y91-K117 HydrophobicContact CE2-CD 4.11Å; Y91-K117 HydrophobicContact CE2-CG 4.49Å; Y91-K117 HydrophobicContact CG-CB 4.34Å; Y91-K117 PolarHBondContact N-O 2.82Å; Y91-K117 PolarHBondContact O-N 2.92Å; Y91-K117 WeakPolarHBondContact OH-CB 3.16Å; Y91-V119 HydrophobicContact CD1-CG2 4.05Å; Y91-V119 HydrophobicContact CE1-CB 4.47Å; Y91-V119 HydrophobicContact CE1-CG2 3.45Å; Y91-V119 VanDerWaalsContact CE1-CG2 3.45Å
92T92.3Very high87.6Confident0 Ų060.8 Ų60.80%034%0.337CS..EExtended strand (participates in β ladder)trans-151.2152.5-175.9-178.90000109.9W38 N96 L97 F110W38-T92 HydrophobicContact CE3-CG2 3.8Å; W38-T92 HydrophobicContact CZ3-CG2 4.37Å; W38-T92 PolarHBondContact N-O 2.94Å; W38-T92 PolarHBondContact O-N 3.39Å; T92-N96 WeakPolarHBondContact OG1-CB 3.18Å; T92-N96 PolarHBondContact OG1-ND2 2.84Å; T92-L97 HydrophobicContact CG2-CD2 3.59Å; T92-F110 HydrophobicContact CG2-CD1 3.99Å; T92-F110 HydrophobicContact CG2-CE1 3.71Å
93P92.1Very high87.6Confident30 Ų3061.3 Ų61.320%0.19534%0.336CS..EExtended strand (participates in β ladder)trans-60.3145.3171.3-21.134.4000110.8I59 A95 N96I59-P93 HydrophobicContact CD1-CG 4.06Å; P93-A95 PolarHBondContact O-N 3.48Å; P93-N96 WeakPolarHBondContact O-CB 3.28Å; P93-N96 PolarHBondContact O-N 3.27Å
94W89Confident87.5Confident53 Ų5358.6 Ų58.620%0.20133%0.331CS..G310 helixtrans-54.9-37.3177.6174.787000112.2I29 G32 W33 D36 N96 L97I29-W94 WeakPolarHBondContact O-CZ2 3.46Å; I29-W94 PolarHBondContact O-NE1 2.95Å; G32-W94 WeakPolarHBondContact O-CZ2 3.36Å; W33-W94 WeakPolarHBondContact O-CB 3.39Å; D36-W94 HydrophobicContact CB-CB 4.32Å; D36-W94 WeakPolarHBondContact O-CB 3.36Å; D36-W94 PolarHBondContact O-N 3.18Å; W94-N96 PolarHBondContact O-N 3.35Å; W94-L97 WeakPolarHBondContact O-CB 3.42Å; W94-L97 WeakPolarHBondContact O-CG 3.27Å; W94-L97 PolarHBondContact O-N 2.83Å
95A87.9Confident87.2Confident67 Ų6757.1 Ų57.155%0.55433%0.327SS*.G310 helixtrans-60.2-17.717800000114.6P93P93-A95 PolarHBondContact O-N 3.48Å
96N89.5Confident86.7Confident4 Ų453.1 Ų53.12%0.02131%0.312CS..G310 helixtrans-94-7.4178.3-17235.6000113.1T92 P93 W94 K98 F110 H111 R112T92-N96 WeakPolarHBondContact OG1-CB 3.18Å; T92-N96 PolarHBondContact OG1-ND2 2.84Å; P93-N96 WeakPolarHBondContact O-CB 3.28Å; P93-N96 PolarHBondContact O-N 3.27Å; W94-N96 PolarHBondContact O-N 3.35Å; N96-K98 PolarHBondContact O-N 2.82Å; N96-F110 WeakPolarHBondContact O-CA 3.39Å; N96-H111 PolarHBondContact O-N 3.47Å; N96-H111 WeakPolarHBondContact OD1-CB 3.49Å; N96-H111 PolarHBondContact OD1-N 3.47Å; N96-R112 PolarHBondContact ND2-O 2.93Å; N96-R112 PolarHBondContact OD1-N 3.45Å
97L88Confident86.5Confident18 Ų1852.6 Ų52.69%0.09431%0.306CS..EExtended strand (participates in β ladder)trans-72.5130177.5-58.3178.3000109.8W38 T92 W94 I108 F110W38-L97 HydrophobicContact CB-CD1 3.83Å; W38-L97 HydrophobicContact CB-CD2 4.26Å; W38-L97 HydrophobicContact CB-CG 4.46Å; W38-L97 HydrophobicContact CD2-CD1 4.38Å; W38-L97 HydrophobicContact CD2-CD2 3.87Å; W38-L97 HydrophobicContact CE3-CD2 3.93Å; W38-L97 HydrophobicContact CG-CD1 3.8Å; W38-L97 HydrophobicContact CG-CD2 4.07Å; W38-L97 HydrophobicContact CZ3-CD2 4.45Å; T92-L97 HydrophobicContact CG2-CD2 3.59Å; W94-L97 WeakPolarHBondContact O-CB 3.42Å; W94-L97 WeakPolarHBondContact O-CG 3.27Å; W94-L97 PolarHBondContact O-N 2.83Å; L97-I108 HydrophobicContact CB-CG2 4.03Å; L97-I108 HydrophobicContact CD2-CG2 3.88Å; L97-I108 HydrophobicContact CG-CG2 4.41Å; L97-F110 HydrophobicContact CD2-CD1 4.16Å; L97-F110 HydrophobicContact CD2-CE1 3.93Å
98K87.8Confident86.3Confident88 Ų8853.4 Ų53.438%0.38331%0.31SS..EExtended strand (participates in β ladder)trans-114.7115.3176.7-172.4178.3178.9-175.80109.2N96 G109 H111N96-K98 PolarHBondContact O-N 2.82Å; K98-G109 PolarHBondContact N-O 2.9Å; K98-G109 CarbonylContact O-C 3.42Å; K98-G109 VanDerWaalsContact O-CA 3.3Å; K98-G109 WeakPolarHBondContact O-CA 3.43Å; K98-G109 PolarHBondContact O-N 3.5Å; K98-H111 WeakPolarHBondContact CB-NE2 3.15Å
99K84.6Confident86.1Confident67 Ų6750.7 Ų50.729%0.29130%0.299SS..  trans-114.6121.8169.7-177.969-179-164.60109E26 M103 D104 Q107E26-K99 VanDerWaalsContact OE1-CE 3.23Å; E26-K99 WeakPolarHBondContact OE1-CE 3.44Å; E26-K99 IonicContact OE1-NZ 2.99Å; E26-K99 PolarHBondContact OE1-NZ 2.73Å; K99-M103 HydrophobicContact CD-CB 4.16Å; K99-M103 WeakPolarHBondContact CE-O 3.04Å; K99-M103 PolarHBondContact NZ-O 3Å; K99-D104 PolarHBondContact NZ-O 2.94Å; K99-Q107 WeakPolarHBondContact CD-O 3.44Å; K99-Q107 PolarHBondContact NZ-O 2.86Å
100T83.9Confident86.1Confident46 Ų4652.9 Ų52.928%0.28231%0.309SS..  trans-100.8151.3170.552.40000109.7D102 M103T100-D102 PolarHBondContact O-N 3.05Å; T100-M103 WeakPolarHBondContact O-CB 3.35Å; T100-M103 PolarHBondContact O-N 3.2Å; T100-M103 WeakPolarHBondContact OG1-CE 3.21Å; T100-M103 VanDerWaalsContact OG1-CG 3.25Å; T100-M103 WeakPolarHBondContact OG1-CG 3.41Å; T100-M103 PolarHBondContact OG1-SD 2.7Å; T100-M103 VanDerWaalsContact OG1-SD 3.4Å
101G78.9Confident85.9Confident87 Ų8757.8 Ų57.890%0.89733%0.331SS*.THydrogen-bonded Turntrans-61.1-24.9-179.500000113.6M103G101-M103 VanDerWaalsContact C-N 3.29Å; G101-M103 PolarHBondContact O-N 2.95Å
102D83.3Confident85.8Confident157 Ų15763.7 Ų63.784%0.8435%0.353SS*.THydrogen-bonded Turntrans-78.1-8176.9-48.9-84.3000114.1T100T100-D102 PolarHBondContact O-N 3.05Å
103M83.8Confident85.6Confident50 Ų5070.4 Ų70.425%0.24638%0.384CS..SBendtrans-86.9132.3-178.8-77172-17800111.5K99 T100 G101 Q107K99-M103 HydrophobicContact CD-CB 4.16Å; K99-M103 WeakPolarHBondContact CE-O 3.04Å; K99-M103 PolarHBondContact NZ-O 3Å; T100-M103 WeakPolarHBondContact O-CB 3.35Å; T100-M103 PolarHBondContact O-N 3.2Å; T100-M103 WeakPolarHBondContact OG1-CE 3.21Å; T100-M103 VanDerWaalsContact OG1-CG 3.25Å; T100-M103 WeakPolarHBondContact OG1-CG 3.41Å; T100-M103 PolarHBondContact OG1-SD 2.7Å; T100-M103 VanDerWaalsContact OG1-SD 3.4Å; G101-M103 VanDerWaalsContact C-N 3.29Å; G101-M103 PolarHBondContact O-N 2.95Å; M103-Q107 HydrophobicContact CB-CB 4.35Å
104D81.5Confident85.5Confident128 Ų12879.1 Ų79.168%0.68442%0.419SS*.PPolyproline II helixtrans-53.2149.7176.2-78.3-60.7000113K99 G106 Q107K99-D104 PolarHBondContact NZ-O 2.94Å; D104-G106 PolarHBondContact O-N 2.72Å; D104-Q107 VanDerWaalsContact O-CB 3.31Å; D104-Q107 WeakPolarHBondContact O-CB 3.43Å; D104-Q107 PolarHBondContact O-N 2.84Å
105V78Confident85.3Confident59 Ų5979.7 Ų79.736%0.35842%0.424SS..THydrogen-bonded Turntrans-56.4121.5179.3-1770000110K22 Y23 E26K22-V105 HydrophobicContact CB-CG1 3.95Å; K22-V105 HydrophobicContact CD-CB 4.42Å; K22-V105 HydrophobicContact CD-CG1 3.87Å; K22-V105 HydrophobicContact CG-CG1 3.73Å; Y23-V105 HydrophobicContact CD1-CG1 4.26Å; Y23-V105 HydrophobicContact CE1-CG1 4.39Å; E26-V105 HydrophobicContact CG-CG1 3.97Å
106G75.4Confident85.4Confident28 Ų2877.8 Ų77.829%0.28941%0.405SS..THydrogen-bonded Turntrans92.4-11.5-175.400000115.5H48 D104H48-G106 PolarHBondContact CE1-O 3.34Å; D104-G106 PolarHBondContact O-N 2.72Å
107Q82.3Confident85.5Confident103 Ų10380.3 Ų80.348%0.48142%0.416SS..  trans-81.2131.2169.6-170.6178.81700110.4K99 M103 D104K99-Q107 WeakPolarHBondContact CD-O 3.44Å; K99-Q107 PolarHBondContact NZ-O 2.86Å; M103-Q107 HydrophobicContact CB-CB 4.35Å; D104-Q107 VanDerWaalsContact O-CB 3.31Å; D104-Q107 WeakPolarHBondContact O-CB 3.43Å; D104-Q107 PolarHBondContact O-N 2.84Å
108I85.4Confident85.7Confident25 Ų2583.4 Ų83.413%0.12844%0.436CS..  trans-130.3131.7178.9-52.4173.8000108.8I29 W38 H48 L97I29-I108 HydrophobicContact CD1-CD1 3.32Å; I29-I108 HydrophobicContact CD1-CG1 3.77Å; I29-I108 HydrophobicContact CG1-CD1 4.12Å; W38-I108 HydrophobicContact CZ2-CD1 3.63Å; H48-I108 VanDerWaalsContact CE1-CD1 3.47Å; H48-I108 WeakPolarHBondContact CE1-CD1 3.34Å; L97-I108 HydrophobicContact CB-CG2 4.03Å; L97-I108 HydrophobicContact CD2-CG2 3.88Å; L97-I108 HydrophobicContact CG-CG2 4.41Å
109G87.3Confident85.9Confident16 Ų1680.4 Ų80.417%0.16543%0.425CS..EExtended strand (participates in β ladder)trans-96.3175.6169.900000112K98K98-G109 PolarHBondContact N-O 2.9Å; K98-G109 CarbonylContact O-C 3.42Å; K98-G109 VanDerWaalsContact O-CA 3.3Å; K98-G109 WeakPolarHBondContact O-CA 3.43Å; K98-G109 PolarHBondContact O-N 3.5Å
110F91.1Very high86.1Confident47 Ų4780.7 Ų80.721%0.20644%0.439CS..EExtended strand (participates in β ladder)trans-120.7143175.2-54.3-67.3000110W38 T92 N96 L97 H113 V116W38-F110 HydrophobicContact CE3-CE1 4.31Å; W38-F110 HydrophobicContact CH2-CE1 4.24Å; W38-F110 HydrophobicContact CH2-CZ 4.06Å; W38-F110 AromaticContact CZ3-CE1 3.7Å; W38-F110 HydrophobicContact CZ3-CE1 3.7Å; W38-F110 AromaticContact CZ3-CZ 3.74Å; W38-F110 HydrophobicContact CZ3-CZ 3.74Å; T92-F110 HydrophobicContact CG2-CD1 3.99Å; T92-F110 HydrophobicContact CG2-CE1 3.71Å; N96-F110 WeakPolarHBondContact O-CA 3.39Å; L97-F110 HydrophobicContact CD2-CD1 4.16Å; L97-F110 HydrophobicContact CD2-CE1 3.93Å; F110-H113 AromaticContact CD2-CE1 3.87Å; F110-H113 AromaticContact CD2-ND1 3.95Å; F110-V116 HydrophobicContact CB-CG2 4.29Å; F110-V116 HydrophobicContact CD1-CG2 3.93Å; F110-V116 HydrophobicContact CD2-CG2 4.14Å; F110-V116 HydrophobicContact CE1-CG2 4.31Å; F110-V116 HydrophobicContact CE2-CG2 4.49Å; F110-V116 HydrophobicContact CG-CG2 3.84Å
111H89.4Confident86.3Confident113 Ų11378.9 Ų78.952%0.52343%0.428SS..SBendtrans-73.6-45171.4-76.1-80.4000111N96 K98N96-H111 PolarHBondContact O-N 3.47Å; N96-H111 WeakPolarHBondContact OD1-CB 3.49Å; N96-H111 PolarHBondContact OD1-N 3.47Å; K98-H111 WeakPolarHBondContact CB-NE2 3.15Å
112R91.2Very high86.5Confident152 Ų15281.3 Ų81.357%0.57442%0.416SS*.  trans-131.8107.3-178-66-176.2-68.8-155.17.5109.8N96 K114 E115N96-R112 PolarHBondContact ND2-O 2.93Å; N96-R112 PolarHBondContact OD1-N 3.45Å; R112-K114 PolarHBondContact O-N 3.11Å; R112-E115 HydrophobicContact CB-CG 4.33Å; R112-E115 WeakPolarHBondContact CB-OE2 3.47Å; R112-E115 IonicContact CZ-OE1 2.82Å; R112-E115 IonicContact CZ-OE2 3.87Å; R112-E115 IonicContact NE-OE1 2.72Å; R112-E115 IonicContact NE-OE2 3.85Å; R112-E115 PolarHBondContact NE-OE2 3.34Å; R112-E115 VanDerWaalsContact NH2-CD 3.27Å; R112-E115 IonicContact NH2-OE1 3.79Å; R112-E115 PolarHBondContact NH2-OE1 3.01Å; R112-E115 IonicContact NH2-OE2 3Å; R112-E115 PolarHBondContact NH2-OE2 3.18Å; R112-E115 PolarHBondContact O-N 2.76Å
113H87.6Confident86.6Confident141 Ų14181.1 Ų81.165%0.65341%0.408SS*.G310 helixtrans-62.9-22.2175.9-72-80000113.6F110 E115 V116F110-H113 AromaticContact CD2-CE1 3.87Å; F110-H113 AromaticContact CD2-ND1 3.95Å; H113-E115 VanDerWaalsContact C-N 3.28Å; H113-E115 PolarHBondContact O-N 3.4Å; H113-V116 WeakPolarHBondContact O-CB 3.47Å; H113-V116 PolarHBondContact O-N 2.86Å
114K88.8Confident86.5Confident212 Ų21282.2 Ų82.292%0.92241%0.411SS*.G310 helixtrans-69.1-24.1177.9-64.8-174.3179.7-177.40113.7R112 V116R112-K114 PolarHBondContact O-N 3.11Å; K114-V116 VanDerWaalsContact C-N 3.32Å
115E85.8Confident86.8Confident65 Ų6578.6 Ų78.630%0.30439%0.393SS..G310 helixtrans-86.9-7.6178-68.7-179.7117.500112.5R112 H113 K117R112-E115 HydrophobicContact CB-CG 4.33Å; R112-E115 WeakPolarHBondContact CB-OE2 3.47Å; R112-E115 IonicContact CZ-OE1 2.82Å; R112-E115 IonicContact CZ-OE2 3.87Å; R112-E115 IonicContact NE-OE1 2.72Å; R112-E115 IonicContact NE-OE2 3.85Å; R112-E115 PolarHBondContact NE-OE2 3.34Å; R112-E115 VanDerWaalsContact NH2-CD 3.27Å; R112-E115 IonicContact NH2-OE1 3.79Å; R112-E115 PolarHBondContact NH2-OE1 3.01Å; R112-E115 IonicContact NH2-OE2 3Å; R112-E115 PolarHBondContact NH2-OE2 3.18Å; R112-E115 PolarHBondContact O-N 2.76Å; H113-E115 VanDerWaalsContact C-N 3.28Å; H113-E115 PolarHBondContact O-N 3.4Å; E115-K117 PolarHBondContact O-N 2.78Å
116V90Very high87.1Confident28 Ų2879.9 Ų79.917%0.1740%0.398CS..  trans-79118.7176-175.90000108.3V90 F110 H113 K114V90-V116 HydrophobicContact CB-CG1 3.91Å; V90-V116 HydrophobicContact CG1-CG1 4.04Å; F110-V116 HydrophobicContact CB-CG2 4.29Å; F110-V116 HydrophobicContact CD1-CG2 3.93Å; F110-V116 HydrophobicContact CD2-CG2 4.14Å; F110-V116 HydrophobicContact CE1-CG2 4.31Å; F110-V116 HydrophobicContact CE2-CG2 4.49Å; F110-V116 HydrophobicContact CG-CG2 3.84Å; H113-V116 WeakPolarHBondContact O-CB 3.47Å; H113-V116 PolarHBondContact O-N 2.86Å; K114-V116 VanDerWaalsContact C-N 3.32Å
117K91.7Very high87.7Confident57 Ų5786.3 Ų86.325%0.24842%0.421CS..EExtended strand (participates in β ladder)trans-101.5155.2175-65.1-170.6178.4-170.30109.9I59 E60 V90 Y91 E115I59-K117 HydrophobicContact CG1-CD 4.39Å; E60-K117 IonicContact OE1-NZ 2.71Å; E60-K117 PolarHBondContact OE1-NZ 2.82Å; V90-K117 CarbonylContact C-O 3.49Å; V90-K117 WeakPolarHBondContact CA-O 3.36Å; Y91-K117 HydrophobicContact CD1-CB 3.88Å; Y91-K117 VanDerWaalsContact CD1-O 3.31Å; Y91-K117 WeakPolarHBondContact CD1-O 3.46Å; Y91-K117 HydrophobicContact CD2-CB 4.31Å; Y91-K117 HydrophobicContact CE1-CB 3.25Å; Y91-K117 HydrophobicContact CE2-CB 3.81Å; Y91-K117 HydrophobicContact CE2-CD 4.11Å; Y91-K117 HydrophobicContact CE2-CG 4.49Å; Y91-K117 HydrophobicContact CG-CB 4.34Å; Y91-K117 PolarHBondContact N-O 2.82Å; Y91-K117 PolarHBondContact O-N 2.92Å; Y91-K117 WeakPolarHBondContact OH-CB 3.16Å; E115-K117 PolarHBondContact O-N 2.78Å
118V92Very high88Confident83 Ų8382.7 Ų82.750%0.50341%0.405SS..EExtended strand (participates in β ladder)trans-127.2134.8-175.7-172.90000109.6N88 V89 V90N88-V118 HydrophobicContact CB-CG1 3.63Å; V89-V118 CarbonylContact O-C 3.6Å; V89-V118 WeakPolarHBondContact O-CA 3.46Å; V90-V118 HydrophobicContact CG1-CG2 4.17Å
119V91.3Very high88.1Confident25 Ų2581.6 Ų81.615%0.15240%0.399CS..EExtended strand (participates in β ladder)trans-118.7124.3172.7168.70000108.7L67 A71 V89 Y91 V121L67-V119 HydrophobicContact CD1-CG2 4.34Å; L67-V119 HydrophobicContact CD2-CG2 3.29Å; L67-V119 HydrophobicContact CG-CG2 3.83Å; A71-V119 HydrophobicContact CB-CG1 4.35Å; V89-V119 PolarHBondContact N-O 2.92Å; V89-V119 PolarHBondContact O-N 2.8Å; Y91-V119 HydrophobicContact CD1-CG2 4.05Å; Y91-V119 HydrophobicContact CE1-CB 4.47Å; Y91-V119 HydrophobicContact CE1-CG2 3.45Å; Y91-V119 VanDerWaalsContact CE1-CG2 3.45Å; V119-V121 HydrophobicContact CG1-CG2 4.23Å
120A89.7Confident88.2Confident72 Ų7284.8 Ų84.860%0.59541%0.412SS*.EExtended strand (participates in β ladder)trans-82.8126.9173.600000110
121V87.2Confident88.1Confident9 Ų987.7 Ų87.76%0.05542%0.422CS..EExtended strand (participates in β ladder)trans-115.5101.4175.6-175.80000109A71 Q72 K75 N86 I87 V89 V119A71-V121 HydrophobicContact CB-CG2 3.58Å; Q72-V121 VanDerWaalsContact NE2-CG1 3.3Å; K75-V121 HydrophobicContact CD-CB 4.39Å; K75-V121 HydrophobicContact CD-CG1 3.81Å; K75-V121 PolarHBondContact NZ-O 3.5Å; N86-V121 PolarHBondContact N-O 2.99Å; I87-V121 PolarHBondContact N-O 3.23Å; I87-V121 PolarHBondContact O-N 2.84Å; V89-V121 HydrophobicContact CG2-CG2 4.07Å; V119-V121 HydrophobicContact CG1-CG2 4.23Å
122E83.9Confident88.1Confident138 Ų13882.5 Ų82.565%0.64540%0.398SS*.  trans-64.8-55.8-176.9-63-178.498.800111.7N85 N86N85-E122 CarbonylContact C-O 3.58Å; N85-E122 VanDerWaalsContact CA-O 3.29Å; N85-E122 WeakPolarHBondContact CA-O 3.34Å; N85-E122 WeakPolarHBondContact CB-O 3.13Å; N86-E122 PolarHBondContact N-O 2.98Å; N86-E122 WeakPolarHBondContact OD1-CA 3.47Å
123K85.2Confident87.9Confident152 Ų15278.8 Ų78.866%0.66139%0.387SS*.SBendtrans-128.2150.4-174.9-65.7-179.5-176.7174.40111.4Q72 V125Q72-K123 PolarHBondContact NE2-O 3.29Å; K123-V125 PolarHBondContact O-N 2.77Å
124K81.3Confident88Confident74 Ų7480.6 Ų80.632%0.32239%0.393SS..  trans-71.1126.2170.1-174.8-175.5177.2-179.80108.5N76 N126N76-K124 WeakPolarHBondContact OD1-CE 3.19Å; N76-K124 PolarHBondContact OD1-NZ 2.76Å; K124-N126 VanDerWaalsContact CD-OD1 3.26Å; K124-N126 WeakPolarHBondContact CD-OD1 3.5Å; K124-N126 WeakPolarHBondContact CE-OD1 3.24Å; K124-N126 WeakPolarHBondContact CG-OD1 3.42Å
125V87.4Confident88Confident51 Ų5172.9 Ų72.931%0.30936%0.364SS..  trans-106.195.5175.3-176.60000108.2K123 E127 I128 V129K123-V125 PolarHBondContact O-N 2.77Å; V125-E127 HydrophobicContact CG1-CB 4.42Å; V125-E127 PolarHBondContact O-N 2.95Å; V125-I128 HydrophobicContact CB-CB 4.36Å; V125-I128 HydrophobicContact CB-CD1 3.96Å; V125-I128 HydrophobicContact CB-CG1 4.23Å; V125-I128 HydrophobicContact CG1-CB 4.19Å; V125-I128 HydrophobicContact CG1-CD1 3.74Å; V125-I128 HydrophobicContact CG1-CG1 3.71Å; V125-I128 HydrophobicContact CG2-CD1 4.48Å; V125-I128 PolarHBondContact O-N 2.84Å; V125-V129 PolarHBondContact O-N 2.93Å
126N85.2Confident88.2Confident86 Ų8673.8 Ų73.846%0.4637%0.367SS..Hα-helixtrans-61.8-30.2-175.7-7528000112.8K124 I128 V129 N130K124-N126 VanDerWaalsContact CD-OD1 3.26Å; K124-N126 WeakPolarHBondContact CD-OD1 3.5Å; K124-N126 WeakPolarHBondContact CE-OD1 3.24Å; K124-N126 WeakPolarHBondContact CG-OD1 3.42Å; N126-I128 VanDerWaalsContact C-N 3.33Å; N126-I128 PolarHBondContact O-N 3.26Å; N126-V129 PolarHBondContact O-N 3.26Å; N126-N130 VanDerWaalsContact O-CB 3.24Å; N126-N130 WeakPolarHBondContact O-CB 3.34Å; N126-N130 PolarHBondContact O-N 3.44Å; N126-N130 PolarHBondContact O-ND2 2.85Å; N126-N130 PolarHBondContact O-OD1 3.47Å
127E88.4Confident88.1Confident163 Ų16376 Ų7676%0.76238%0.378SS*.Hα-helixtrans-62.4-41.7178.6-63.2-177.4107.100112.2V125 R131V125-E127 HydrophobicContact CG1-CB 4.42Å; V125-E127 PolarHBondContact O-N 2.95Å; E127-R131 WeakPolarHBondContact O-CB 3.32Å; E127-R131 PolarHBondContact O-N 3.27Å
128I87.8Confident87.9Confident28 Ų2878.3 Ų78.314%0.14439%0.389CS..Hα-helixtrans-66.2-48.9177.1-67.9175.9000110I68 D69 Q72 V125 N126 N130 R131 V132I68-I128 HydrophobicContact CG2-CD1 3.77Å; D69-I128 HydrophobicContact CB-CG2 4.42Å; D69-I128 WeakPolarHBondContact OD1-CG2 3.38Å; Q72-I128 HydrophobicContact CB-CG2 4.15Å; Q72-I128 HydrophobicContact CG-CG2 4.23Å; V125-I128 HydrophobicContact CB-CB 4.36Å; V125-I128 HydrophobicContact CB-CD1 3.96Å; V125-I128 HydrophobicContact CB-CG1 4.23Å; V125-I128 HydrophobicContact CG1-CB 4.19Å; V125-I128 HydrophobicContact CG1-CD1 3.74Å; V125-I128 HydrophobicContact CG1-CG1 3.71Å; V125-I128 HydrophobicContact CG2-CD1 4.48Å; V125-I128 PolarHBondContact O-N 2.84Å; N126-I128 VanDerWaalsContact C-N 3.33Å; N126-I128 PolarHBondContact O-N 3.26Å; I128-N130 PolarHBondContact O-N 3.46Å; I128-R131 WeakPolarHBondContact O-CB 3.06Å; I128-R131 PolarHBondContact O-N 3.39Å; I128-V132 WeakPolarHBondContact O-CG2 3.39Å; I128-V132 PolarHBondContact O-N 3.5Å
129V87.6Confident87.5Confident2 Ų280.9 Ų80.91%0.01239%0.39CS..Hα-helixtrans-58.2-50.6178.5175.50000110.6Q72 N76 V125 N126 R131 V132 E133Q72-V129 HydrophobicContact CB-CG2 3.95Å; N76-V129 HydrophobicContact CB-CG1 3.97Å; N76-V129 HydrophobicContact CB-CG2 4.12Å; N76-V129 WeakPolarHBondContact ND2-CG1 3.28Å; V125-V129 PolarHBondContact O-N 2.93Å; N126-V129 PolarHBondContact O-N 3.26Å; V129-R131 VanDerWaalsContact C-N 3.27Å; V129-R131 PolarHBondContact O-N 2.95Å; V129-V132 PolarHBondContact O-N 3.09Å; V129-V132 VanDerWaalsContact O-N 3.16Å; V129-E133 HydrophobicContact CG1-CG 4.12Å; V129-E133 WeakPolarHBondContact O-CB 3.26Å; V129-E133 WeakPolarHBondContact O-CG 3.37Å; V129-E133 PolarHBondContact O-N 2.78Å
130N89.3Confident86.7Confident82 Ų8287.9 Ų87.944%0.43942%0.415SS..Hα-helixtrans-61.8-35.9-179.9-69.2-12.3000111.9N126 I128 K134N126-N130 VanDerWaalsContact O-CB 3.24Å; N126-N130 WeakPolarHBondContact O-CB 3.34Å; N126-N130 PolarHBondContact O-N 3.44Å; N126-N130 PolarHBondContact O-ND2 2.85Å; N126-N130 PolarHBondContact O-OD1 3.47Å; I128-N130 PolarHBondContact O-N 3.46Å; N130-K134 VanDerWaalsContact O-CG 3.26Å; N130-K134 WeakPolarHBondContact O-CG 3.33Å; N130-K134 PolarHBondContact O-N 2.86Å; N130-K134 VanDerWaalsContact O-N 3.12Å
131R90.2Very high85.7Confident109 Ų10985.8 Ų85.841%0.41140%0.395SS..Hα-helixtrans-63.6-48.6174.7176-177.165.9-154.70.3111.1D69 E127 I128 V129 K134D69-R131 IonicContact OD1-CZ 3.9Å; D69-R131 IonicContact OD1-NH2 2.76Å; D69-R131 PolarHBondContact OD1-NH2 3.1Å; D69-R131 IonicContact OD2-NH2 3.07Å; E127-R131 WeakPolarHBondContact O-CB 3.32Å; E127-R131 PolarHBondContact O-N 3.27Å; I128-R131 WeakPolarHBondContact O-CB 3.06Å; I128-R131 PolarHBondContact O-N 3.39Å; V129-R131 VanDerWaalsContact C-N 3.27Å; V129-R131 PolarHBondContact O-N 2.95Å; R131-K134 PolarHBondContact O-N 2.83Å
132V88.2Confident85Confident3 Ų391.5 Ų91.52%0.01843%0.426CS..Hα-helixtrans-66.4-43.3179.9177.70000110.3F5 D69 L73 I128 V129 K134 T135F5-V132 HydrophobicContact CB-CG1 3.79Å; F5-V132 HydrophobicContact CD1-CG1 3.93Å; F5-V132 HydrophobicContact CG-CG1 4.03Å; D69-V132 HydrophobicContact CB-CG2 4.03Å; L73-V132 HydrophobicContact CD1-CG1 4.36Å; L73-V132 HydrophobicContact CD2-CG1 4.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.39Å; I128-V132 PolarHBondContact O-N 3.5Å; V129-V132 PolarHBondContact O-N 3.09Å; V129-V132 VanDerWaalsContact O-N 3.16Å; V132-K134 VanDerWaalsContact C-N 3.27Å; V132-K134 PolarHBondContact O-N 3.46Å; V132-T135 PolarHBondContact O-N 3.22Å; V132-T135 PolarHBondContact O-OG1 2.99Å
133E88.1Confident84.1Confident75 Ų7586.1 Ų86.135%0.3540%0.401SS..Hα-helixtrans-63-28178.4-76.1-177.5163.900113.5N76 V129 T135 K136N76-E133 PolarHBondContact ND2-OE1 3.29Å; V129-E133 HydrophobicContact CG1-CG 4.12Å; V129-E133 WeakPolarHBondContact O-CB 3.26Å; V129-E133 WeakPolarHBondContact O-CG 3.37Å; V129-E133 PolarHBondContact O-N 2.78Å; E133-T135 PolarHBondContact O-N 3.31Å; E133-K136 WeakPolarHBondContact O-CB 3.45Å; E133-K136 PolarHBondContact O-N 2.99Å; E133-K136 VanDerWaalsContact O-N 3.14Å
134K89.2Confident83Confident179 Ų17981.2 Ų81.278%0.77839%0.389SS*.Hα-helixtrans-64.5-25.6172-78.2171.8-176.2-175.50113.3N130 R131 V132 K136N130-K134 VanDerWaalsContact O-CG 3.26Å; N130-K134 WeakPolarHBondContact O-CG 3.33Å; N130-K134 PolarHBondContact O-N 2.86Å; N130-K134 VanDerWaalsContact O-N 3.12Å; R131-K134 PolarHBondContact O-N 2.83Å; V132-K134 VanDerWaalsContact C-N 3.27Å; V132-K134 PolarHBondContact O-N 3.46Å; K134-K136 VanDerWaalsContact C-N 3.28Å
135T89.3Confident82.2Confident50 Ų5080.5 Ų80.531%0.30740%0.397SS..THydrogen-bonded Turntrans-92.49177.569.70000112.7T6 V132 E133 D137T6-T135 PolarHBondContact N-OG1 3.17Å; T6-T135 PolarHBondContact O-OG1 3.49Å; V132-T135 PolarHBondContact O-N 3.22Å; V132-T135 PolarHBondContact O-OG1 2.99Å; E133-T135 PolarHBondContact O-N 3.31Å; T135-D137 PolarHBondContact O-N 3.46Å
136K89.1Confident81.2Confident84 Ų8482.1 Ų82.137%0.36540%0.401SS..  trans-63.7123.9179-175.2-171.8-178-150.20109.9F3 Y4 F5 E133 K134 E138F3-K136 HydrophobicContact CD1-CD 4.42Å; F3-K136 HydrophobicContact CD1-CG 4.45Å; F3-K136 VanDerWaalsContact CE1-NZ 3.27Å; Y4-K136 CarbonylContact O-C 3.59Å; Y4-K136 VanDerWaalsContact O-CA 3.32Å; Y4-K136 WeakPolarHBondContact O-CA 3.3Å; F5-K136 HydrophobicContact CD1-CB 3.83Å; F5-K136 HydrophobicContact CD1-CG 4.18Å; F5-K136 HydrophobicContact CE1-CB 3.61Å; F5-K136 HydrophobicContact CE1-CD 4.17Å; F5-K136 HydrophobicContact CE1-CG 3.59Å; F5-K136 HydrophobicContact CZ-CG 4.09Å; E133-K136 WeakPolarHBondContact O-CB 3.45Å; E133-K136 PolarHBondContact O-N 2.99Å; E133-K136 VanDerWaalsContact O-N 3.14Å; K134-K136 VanDerWaalsContact C-N 3.28Å; K136-E138 WeakPolarHBondContact CE-OE1 3.38Å; K136-E138 IonicContact NZ-OE1 3.9Å; K136-E138 PolarHBondContact NZ-OE1 3.28Å
137D88.9Confident80.4Confident75 Ų7580.1 Ų80.140%0.40139%0.388SS..EExtended strand (participates in β ladder)trans-123.7129.1175.3-161-126000108.7Y4 T135 R139Y4-D137 PolarHBondContact N-O 3.35Å; Y4-D137 PolarHBondContact O-N 3.02Å; T135-D137 PolarHBondContact O-N 3.46Å; D137-R139 IonicContact OD1-CZ 2.97Å; D137-R139 IonicContact OD1-NE 2.73Å; D137-R139 PolarHBondContact OD1-NE 2.69Å; D137-R139 IonicContact OD1-NH2 3.73Å; D137-R139 PolarHBondContact OD1-NH2 3.16Å; D137-R139 VanDerWaalsContact OD1-NH2 3.07Å
138E87.6Confident79.4Confident104 Ų10477.5 Ų77.549%0.48638%0.376SS..EExtended strand (participates in β ladder)trans-97.2115-177.4-58.1-164.9174.100108.9F3 K136F3-E138 HydrophobicContact CD1-CG 3.79Å; F3-E138 HydrophobicContact CE1-CG 3.75Å; F3-E138 WeakPolarHBondContact CE1-OE1 3.23Å; K136-E138 WeakPolarHBondContact CE-OE1 3.38Å; K136-E138 IonicContact NZ-OE1 3.9Å; K136-E138 PolarHBondContact NZ-OE1 3.28Å
139R82.1Confident78.5Confident137 Ų13779 Ų7952%0.51739%0.389SS..EExtended strand (participates in β ladder)trans-123.6155.8179.8-61-171.1-176-1722111.9V2 Y4 D137 P141V2-R139 PolarHBondContact N-O 2.97Å; V2-R139 PolarHBondContact O-N 3.39Å; V2-R139 VanDerWaalsContact O-O 3.12Å; Y4-R139 HydrophobicContact CD2-CB 3.8Å; Y4-R139 HydrophobicContact CD2-CG 3.91Å; Y4-R139 HydrophobicContact CE2-CB 3.74Å; Y4-R139 HydrophobicContact CE2-CG 4.23Å; D137-R139 IonicContact OD1-CZ 2.97Å; D137-R139 IonicContact OD1-NE 2.73Å; D137-R139 PolarHBondContact OD1-NE 2.69Å; D137-R139 IonicContact OD1-NH2 3.73Å; D137-R139 PolarHBondContact OD1-NH2 3.16Å; D137-R139 VanDerWaalsContact OD1-NH2 3.07Å; R139-P141 WeakPolarHBondContact O-CD 3.32Å
140Y74.6Confident77.6Confident172 Ų17280.8 Ų80.868%0.67540%0.396SS*.  trans-114.669168.7-64-95.3000108.2M1M1-Y140 HydrophobicContact CB-CD1 4.07Å; M1-Y140 HydrophobicContact CB-CE1 3.6Å; M1-Y140 HydrophobicContact CG-CD1 4.44Å; M1-Y140 HydrophobicContact CG-CE1 3.83Å; M1-Y140 HydrophobicContact CG-CE2 4.35Å; M1-Y140 HydrophobicContact SD-CE1 4.22Å; M1-Y140 PolarHBondContact SD-OH 3.08Å
141P69.6Low76.6Confident28 Ų2880.4 Ų80.418%0.18239%0.393CS..  trans-69.1134179.331.2-36.6000110.2V2 Y4 R139 L143V2-P141 HydrophobicContact CB-CG 3.95Å; V2-P141 HydrophobicContact CG2-CG 3.73Å; Y4-P141 HydrophobicContact CE2-CG 3.98Å; Y4-P141 WeakPolarHBondContact OH-CG 3.36Å; R139-P141 WeakPolarHBondContact O-CD 3.32Å; P141-L143 HydrophobicContact CB-CD2 4.14Å; P141-L143 HydrophobicContact CB-CG 4.46Å; P141-L143 HydrophobicContact CG-CD2 3.86Å; P141-L143 HydrophobicContact CG-CG 4.12Å; P141-L143 PolarHBondContact O-N 2.99Å
142D71.8Confident75.7Confident130 Ų13081.4 Ų81.470%0.69540%0.397SS*.  trans-76.778165.4-76.1-55.8000109.1A144 A145 E146D142-A144 PolarHBondContact O-N 2.72Å; D142-A144 VanDerWaalsContact O-N 3.09Å; D142-A145 HydrophobicContact CB-CB 3.97Å; D142-A145 PolarHBondContact O-N 2.79Å; D142-E146 PolarHBondContact O-N 2.98Å; D142-E146 VanDerWaalsContact O-N 3.11Å
143L65.4Low74.9Confident25 Ų2586.5 Ų86.513%0.13142%0.421CS..Hα-helixtrans-53.7-33.7-174.9-62.8167.7000113.1V2 D27 L28 Y31 P141 K147V2-L143 HydrophobicContact CG2-CD1 4.42Å; D27-L143 HydrophobicContact CB-CD1 4.26Å; L28-L143 HydrophobicContact CD2-CD1 3.48Å; L28-L143 VanDerWaalsContact CD2-CD1 3.48Å; L28-L143 HydrophobicContact CD2-CD2 3.87Å; L28-L143 HydrophobicContact CD2-CG 4.33Å; L28-L143 HydrophobicContact CG-CD1 4.02Å; Y31-L143 HydrophobicContact CD2-CB 3.99Å; Y31-L143 HydrophobicContact CG-CB 4.14Å; P141-L143 HydrophobicContact CB-CD2 4.14Å; P141-L143 HydrophobicContact CB-CG 4.46Å; P141-L143 HydrophobicContact CG-CD2 3.86Å; P141-L143 HydrophobicContact CG-CG 4.12Å; P141-L143 PolarHBondContact O-N 2.99Å; L143-K147 WeakPolarHBondContact O-CB 3.43Å; L143-K147 PolarHBondContact O-N 3.11Å; L143-K147 VanDerWaalsContact O-N 3.11Å
144A62Low74.2Confident48 Ų4885.9 Ų85.940%0.39742%0.418SS..Hα-helixtrans-67-40.5176.900000112.4Y31 D142 E148Y31-A144 HydrophobicContact CD1-CB 4.2Å; Y31-A144 HydrophobicContact CE1-CB 3.77Å; Y31-A144 HydrophobicContact CE2-CB 4.2Å; D142-A144 PolarHBondContact O-N 2.72Å; D142-A144 VanDerWaalsContact O-N 3.09Å; A144-E148 WeakPolarHBondContact O-CB 3.36Å; A144-E148 PolarHBondContact O-N 3.41Å
145A63.7Low73.3Confident60 Ų6084.1 Ų84.150%0.49641%0.406SS..Hα-helixtrans-72.5-40.4179.900000111.5D142 E148 S149D142-A145 HydrophobicContact CB-CB 3.97Å; D142-A145 PolarHBondContact O-N 2.79Å; A145-E148 PolarHBondContact O-N 3.14Å; A145-S149 WeakPolarHBondContact O-CB 3.3Å; A145-S149 PolarHBondContact O-N 3.07Å
146E67.9Low72.7Confident85 Ų8586.2 Ų86.240%0.39742%0.415SS..Hα-helixtrans-63-43.7175.9-73.3-171.387.200111.8D142 R150D142-E146 PolarHBondContact O-N 2.98Å; D142-E146 VanDerWaalsContact O-N 3.11Å; E146-R150 WeakPolarHBondContact O-CB 3.43Å; E146-R150 PolarHBondContact O-N 3.4Å; E146-R150 VanDerWaalsContact O-N 3.12Å
147K67.8Low72.1Confident44 Ų4487.2 Ų87.219%0.19142%0.422CS..Hα-helixtrans-64.9-45.1176.2-174.5164.9-176.7163.50111.5K30 Y31 G32 L143 S149 R150 D151K30-K147 PolarHBondContact O-NZ 2.93Å; Y31-K147 HydrophobicContact CD1-CD 4.06Å; G32-K147 PolarHBondContact O-NZ 3.32Å; L143-K147 WeakPolarHBondContact O-CB 3.43Å; L143-K147 PolarHBondContact O-N 3.11Å; L143-K147 VanDerWaalsContact O-N 3.11Å; K147-S149 PolarHBondContact O-N 2.7Å; K147-R150 PolarHBondContact O-N 2.79Å; K147-D151 WeakPolarHBondContact CG-OD2 3.33Å; K147-D151 WeakPolarHBondContact O-CB 3.25Å; K147-D151 PolarHBondContact O-N 3.28Å
148E66.8Low71.5Confident108 Ų10888.9 Ų88.951%0.50543%0.425SS..Hα-helixtrans-64.1-39.7179.7-166.8-175.191.500112.6A144 A145 D151 R152A144-E148 WeakPolarHBondContact O-CB 3.36Å; A144-E148 PolarHBondContact O-N 3.41Å; A145-E148 PolarHBondContact O-N 3.14Å; E148-D151 PolarHBondContact O-N 2.96Å; E148-R152 WeakPolarHBondContact O-CB 3.41Å; E148-R152 PolarHBondContact O-N 3.09Å; E148-R152 IonicContact OE1-CZ 3.34Å; E148-R152 IonicContact OE1-NH2 2.7Å; E148-R152 PolarHBondContact OE1-NH2 3.33Å
149S68.7Low71Confident60 Ų6090.2 Ų90.242%0.4243%0.429SS..Hα-helixtrans-59.5-49.3174.6-170.20000110.7A145 K147 R152 E153A145-S149 WeakPolarHBondContact O-CB 3.3Å; A145-S149 PolarHBondContact O-N 3.07Å; K147-S149 PolarHBondContact O-N 2.7Å; S149-R152 WeakPolarHBondContact O-CB 3.2Å; S149-R152 PolarHBondContact O-N 2.81Å; S149-R152 VanDerWaalsContact O-N 3.17Å; S149-E153 WeakPolarHBondContact O-CG 3.43Å; S149-E153 PolarHBondContact O-N 2.93Å; S149-E153 PolarHBondContact OG-OE2 3.43Å
150R69.2Low71Confident39 Ų3986.2 Ų86.215%0.14743%0.426CS..Hα-helixtrans-62.7-47.2179.1-172.2-174.7173.9169.55.2112.1E35 E146 K147 R152 E153 E154E35-R150 IonicContact OE1-NH2 2.79Å; E35-R150 IonicContact OE2-CZ 3.88Å; E35-R150 IonicContact OE2-NH1 3.53Å; E35-R150 PolarHBondContact OE2-NH1 2.91Å; E35-R150 IonicContact OE2-NH2 2.7Å; E35-R150 PolarHBondContact OE2-NH2 3.33Å; E146-R150 WeakPolarHBondContact O-CB 3.43Å; E146-R150 PolarHBondContact O-N 3.4Å; E146-R150 VanDerWaalsContact O-N 3.12Å; K147-R150 PolarHBondContact O-N 2.79Å; R150-R152 PolarHBondContact O-N 3.04Å; R150-E153 PolarHBondContact O-N 2.84Å; R150-E154 WeakPolarHBondContact O-CB 3.29Å; R150-E154 PolarHBondContact O-N 3.36Å
151D68.5Low71.2Confident73 Ų7383.8 Ų83.839%0.3942%0.421SS..Hα-helixtrans-62.7-28.6177.2-89.3-59.5000112.2K147 E148 R155K147-D151 WeakPolarHBondContact CG-OD2 3.33Å; K147-D151 WeakPolarHBondContact O-CB 3.25Å; K147-D151 PolarHBondContact O-N 3.28Å; E148-D151 PolarHBondContact O-N 2.96Å; D151-R155 VanDerWaalsContact O-CB 3.3Å; D151-R155 WeakPolarHBondContact O-CB 3.48Å; D151-R155 WeakPolarHBondContact O-CG 3.17Å; D151-R155 PolarHBondContact O-N 2.85Å; D151-R155 PolarHBondContact O-NE 2.99Å
152R71.4Confident71.8Confident131 Ų13187 Ų8749%0.49444%0.435SS..Hα-helixtrans-74.6-45.1173.9-169.8-175.2-59.9-174.90.7111.2E148 S149 R150 R155 N156E148-R152 WeakPolarHBondContact O-CB 3.41Å; E148-R152 PolarHBondContact O-N 3.09Å; E148-R152 IonicContact OE1-CZ 3.34Å; E148-R152 IonicContact OE1-NH2 2.7Å; E148-R152 PolarHBondContact OE1-NH2 3.33Å; S149-R152 WeakPolarHBondContact O-CB 3.2Å; S149-R152 PolarHBondContact O-N 2.81Å; S149-R152 VanDerWaalsContact O-N 3.17Å; R150-R152 PolarHBondContact O-N 3.04Å; R152-R155 PolarHBondContact O-N 2.93Å; R152-N156 WeakPolarHBondContact O-CB 3.43Å; R152-N156 VanDerWaalsContact O-CG 3.27Å; R152-N156 PolarHBondContact O-N 3.4Å
153E71.9Confident72.4Confident109 Ų10987.5 Ų87.551%0.50943%0.434SS..Hα-helixtrans-61.3-48.1174.9-74.4173.984.800111.1S149 R150 R155 N156 E157S149-E153 WeakPolarHBondContact O-CG 3.43Å; S149-E153 PolarHBondContact O-N 2.93Å; S149-E153 PolarHBondContact OG-OE2 3.43Å; R150-E153 PolarHBondContact O-N 2.84Å; E153-R155 VanDerWaalsContact C-N 3.32Å; E153-R155 PolarHBondContact O-N 2.88Å; E153-N156 CarbonylContact O-C 3.52Å; E153-N156 WeakPolarHBondContact O-CA 3.5Å; E153-N156 WeakPolarHBondContact O-CB 3.47Å; E153-N156 PolarHBondContact O-N 3.2Å; E153-E157 PolarHBondContact O-N 3.48Å
154E73.5Confident73.3Confident62 Ų6289.9 Ų89.929%0.2945%0.446SS..Hα-helixtrans-65.6-35.8-178.8-147-174.2105.100111.8R150 K158R150-E154 WeakPolarHBondContact O-CB 3.29Å; R150-E154 PolarHBondContact O-N 3.36Å; E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 VanDerWaalsContact O-CG 3.27Å; E154-K158 WeakPolarHBondContact O-CG 3.32Å; E154-K158 PolarHBondContact O-N 3.34Å; E154-K158 WeakPolarHBondContact OE1-CE 3.14Å; E154-K158 IonicContact OE1-NZ 2.7Å; E154-K158 PolarHBondContact OE1-NZ 2.86Å
155R70.3Confident74.3Confident143 Ų14393 Ų9354%0.5446%0.455SS..Hα-helixtrans-66.7-38.5171-80.9-176.1-68.2179.3-1.2112.2D151 R152 E153 K159D151-R155 VanDerWaalsContact O-CB 3.3Å; D151-R155 WeakPolarHBondContact O-CB 3.48Å; D151-R155 WeakPolarHBondContact O-CG 3.17Å; D151-R155 PolarHBondContact O-N 2.85Å; D151-R155 PolarHBondContact O-NE 2.99Å; R152-R155 PolarHBondContact O-N 2.93Å; E153-R155 VanDerWaalsContact C-N 3.32Å; E153-R155 PolarHBondContact O-N 2.88Å; R155-K159 WeakPolarHBondContact O-CB 3.15Å; R155-K159 VanDerWaalsContact O-CG 3.23Å; R155-K159 WeakPolarHBondContact O-CG 3.32Å; R155-K159 PolarHBondContact O-N 3.42Å
156N76.4Confident75.4Confident93 Ų9396.5 Ų96.550%0.49746%0.46SS..Hα-helixtrans-69.7-43177.6-76.8-9.7000111.4R152 E153 K159 A160R152-N156 WeakPolarHBondContact O-CB 3.43Å; R152-N156 VanDerWaalsContact O-CG 3.27Å; R152-N156 PolarHBondContact O-N 3.4Å; E153-N156 CarbonylContact O-C 3.52Å; E153-N156 WeakPolarHBondContact O-CA 3.5Å; E153-N156 WeakPolarHBondContact O-CB 3.47Å; E153-N156 PolarHBondContact O-N 3.2Å; N156-K159 PolarHBondContact O-N 3.31Å; N156-A160 WeakPolarHBondContact O-CB 3.5Å; N156-A160 PolarHBondContact O-N 3.2Å
157E75.1Confident76.3Confident106 Ų10699.1 Ų99.150%0.49547%0.47SS..Hα-helixtrans-62-47.3174.6-74.5-176.792.800111.4E153 K159 A160 Q161E153-E157 PolarHBondContact O-N 3.48Å; E157-K159 VanDerWaalsContact C-N 3.32Å; E157-K159 PolarHBondContact O-N 2.98Å; E157-A160 PolarHBondContact O-N 3.31Å; E157-Q161 WeakPolarHBondContact O-CB 3.23Å; E157-Q161 VanDerWaalsContact O-CG 3.32Å; E157-Q161 WeakPolarHBondContact O-CG 3.25Å; E157-Q161 PolarHBondContact O-N 2.87Å
158K76.3Confident77.3Confident110 Ų110102.5 Ų102.548%0.47848%0.484SS..Hα-helixtrans-59.9-42.7175.3-76.4171.6-177.6165.10111.6E154 Q161 I162E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 VanDerWaalsContact O-CG 3.27Å; E154-K158 WeakPolarHBondContact O-CG 3.32Å; E154-K158 PolarHBondContact O-N 3.34Å; E154-K158 WeakPolarHBondContact OE1-CE 3.14Å; E154-K158 IonicContact OE1-NZ 2.7Å; E154-K158 PolarHBondContact OE1-NZ 2.86Å; K158-Q161 PolarHBondContact O-N 3.5Å; K158-I162 WeakPolarHBondContact O-CB 3.28Å; K158-I162 WeakPolarHBondContact O-CD1 3.42Å; K158-I162 WeakPolarHBondContact O-CG1 3.15Å; K158-I162 PolarHBondContact O-N 3.41Å
159K78.4Confident78.1Confident131 Ų131103.6 Ų103.657%0.5749%0.49SS*.Hα-helixtrans-62.9-43174.9-78.8176179.7-178.40111.8R155 N156 E157 I162 Q163R155-K159 WeakPolarHBondContact O-CB 3.15Å; R155-K159 VanDerWaalsContact O-CG 3.23Å; R155-K159 WeakPolarHBondContact O-CG 3.32Å; R155-K159 PolarHBondContact O-N 3.42Å; N156-K159 PolarHBondContact O-N 3.31Å; E157-K159 VanDerWaalsContact C-N 3.32Å; E157-K159 PolarHBondContact O-N 2.98Å; K159-I162 PolarHBondContact O-N 3.27Å; K159-Q163 WeakPolarHBondContact O-CB 3.41Å; K159-Q163 WeakPolarHBondContact O-CG 3.27Å; K159-Q163 PolarHBondContact O-N 3.43Å
160A80.9Confident79Confident54 Ų54108.2 Ų108.245%0.44650%0.502SS..Hα-helixtrans-64.6-43.7178.100000111.6N156 E157 Q163 D164N156-A160 WeakPolarHBondContact O-CB 3.5Å; N156-A160 PolarHBondContact O-N 3.2Å; E157-A160 PolarHBondContact O-N 3.31Å; A160-Q163 PolarHBondContact O-N 3.44Å; A160-D164 WeakPolarHBondContact O-CB 3.26Å; A160-D164 PolarHBondContact O-N 3Å
161Q80.8Confident79.8Confident120 Ų120110 Ų11056%0.56151%0.514SS*.Hα-helixtrans-61.9-44.9175.2-71.8176.211.400111.8E157 K158 Q163 D164 L165E157-Q161 WeakPolarHBondContact O-CB 3.23Å; E157-Q161 VanDerWaalsContact O-CG 3.32Å; E157-Q161 WeakPolarHBondContact O-CG 3.25Å; E157-Q161 PolarHBondContact O-N 2.87Å; K158-Q161 PolarHBondContact O-N 3.5Å; Q161-Q163 VanDerWaalsContact C-N 3.33Å; Q161-Q163 PolarHBondContact O-N 3.25Å; Q161-D164 PolarHBondContact O-N 2.95Å; Q161-L165 WeakPolarHBondContact O-CB 3.37Å; Q161-L165 VanDerWaalsContact O-CG 3.3Å; Q161-L165 WeakPolarHBondContact O-CG 3.24Å; Q161-L165 PolarHBondContact O-N 2.93Å
162I80.6Confident80.7Confident95 Ų95111.6 Ų111.649%0.48752%0.523SS..Hα-helixtrans-64.2-39.9176.6-68.2164.9000110.9K158 K159 K166K158-I162 WeakPolarHBondContact O-CB 3.28Å; K158-I162 WeakPolarHBondContact O-CD1 3.42Å; K158-I162 WeakPolarHBondContact O-CG1 3.15Å; K158-I162 PolarHBondContact O-N 3.41Å; K159-I162 PolarHBondContact O-N 3.27Å; I162-K166 HydrophobicContact CG2-CD 4.34Å; I162-K166 WeakPolarHBondContact O-CB 3.35Å; I162-K166 WeakPolarHBondContact O-CG 3.36Å; I162-K166 PolarHBondContact O-N 3.35Å
163Q84.3Confident81.5Confident142 Ų142110.4 Ų110.466%0.66453%0.525SS*.Hα-helixtrans-66.6-41.7176.1-78.5-176.4-4.200112K159 A160 Q161 K166 K167K159-Q163 WeakPolarHBondContact O-CB 3.41Å; K159-Q163 WeakPolarHBondContact O-CG 3.27Å; K159-Q163 PolarHBondContact O-N 3.43Å; A160-Q163 PolarHBondContact O-N 3.44Å; Q161-Q163 VanDerWaalsContact C-N 3.33Å; Q161-Q163 PolarHBondContact O-N 3.25Å; Q163-K166 PolarHBondContact O-N 3.15Å; Q163-K167 VanDerWaalsContact O-CB 3.32Å; Q163-K167 WeakPolarHBondContact O-CB 3.5Å; Q163-K167 PolarHBondContact O-N 2.92Å
164D84.8Confident82.3Confident75 Ų75111.2 Ų111.240%0.40153%0.527SS..Hα-helixtrans-65.2-44177.9-167.4-106.7000111.5A160 Q161 K167 K168A160-D164 WeakPolarHBondContact O-CB 3.26Å; A160-D164 PolarHBondContact O-N 3Å; Q161-D164 PolarHBondContact O-N 2.95Å; D164-K167 PolarHBondContact O-N 3.23Å; D164-K168 WeakPolarHBondContact O-CG 3.22Å; D164-K168 PolarHBondContact O-N 3.24Å; D164-K168 WeakPolarHBondContact OD1-CE 3.21Å; D164-K168 IonicContact OD1-NZ 3.89Å; D164-K168 PolarHBondContact OD1-NZ 2.86Å
165L83.5Confident82.9Confident112 Ų112114 Ų11459%0.58654%0.538SS*.Hα-helixtrans-60-47.9173.4-74.4168.8000111.7Q161 K167 K168 E169Q161-L165 WeakPolarHBondContact O-CB 3.37Å; Q161-L165 VanDerWaalsContact O-CG 3.3Å; Q161-L165 WeakPolarHBondContact O-CG 3.24Å; Q161-L165 PolarHBondContact O-N 2.93Å; L165-K167 VanDerWaalsContact C-N 3.27Å; L165-K167 PolarHBondContact O-N 3.25Å; L165-K168 PolarHBondContact O-N 2.85Å; L165-E169 WeakPolarHBondContact O-CB 3.26Å; L165-E169 PolarHBondContact O-N 3.32Å
166K86.9Confident83.6Confident135 Ų135113.5 Ų113.559%0.58754%0.54SS*.Hα-helixtrans-62.1-34.6176-79.8-176.7176.6-176.60112.7I162 Q163 K170I162-K166 HydrophobicContact CG2-CD 4.34Å; I162-K166 WeakPolarHBondContact O-CB 3.35Å; I162-K166 WeakPolarHBondContact O-CG 3.36Å; I162-K166 PolarHBondContact O-N 3.35Å; Q163-K166 PolarHBondContact O-N 3.15Å; K166-K170 WeakPolarHBondContact O-CG 3.04Å; K166-K170 PolarHBondContact O-N 2.84Å; K166-K170 VanDerWaalsContact O-N 3.14Å
167K87.4Confident84Confident140 Ų140118 Ų11861%0.60955%0.55SS**Hα-helixtrans-70.9-46.6178.4-166.6177.2-179.3-172.90110.6Q163 D164 L165 E169 K170 D171Q163-K167 VanDerWaalsContact O-CB 3.32Å; Q163-K167 WeakPolarHBondContact O-CB 3.5Å; Q163-K167 PolarHBondContact O-N 2.92Å; D164-K167 PolarHBondContact O-N 3.23Å; L165-K167 VanDerWaalsContact C-N 3.27Å; L165-K167 PolarHBondContact O-N 3.25Å; K167-E169 PolarHBondContact O-N 3.43Å; K167-K170 PolarHBondContact O-N 2.8Å; K167-D171 PolarHBondContact O-N 3Å
168K87Confident84.3Confident114 Ų114117.3 Ų117.350%0.49655%0.547SS..Hα-helixtrans-56.8-47173.6-75.9172.8175.1155.60111.9D164 L165 K170 D171 D172D164-K168 WeakPolarHBondContact O-CG 3.22Å; D164-K168 PolarHBondContact O-N 3.24Å; D164-K168 WeakPolarHBondContact OD1-CE 3.21Å; D164-K168 IonicContact OD1-NZ 3.89Å; D164-K168 PolarHBondContact OD1-NZ 2.86Å; L165-K168 PolarHBondContact O-N 2.85Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 2.82Å; K168-D171 PolarHBondContact O-N 2.91Å; K168-D172 PolarHBondContact O-N 3.46Å
169E85.3Confident84.5Confident132 Ų132116.9 Ų116.962%0.61755%0.549SS*.Hα-helixtrans-61.4-40.4178.8-161.1-178.8103.400112.1L165 K167 D172 I173L165-E169 WeakPolarHBondContact O-CB 3.26Å; L165-E169 PolarHBondContact O-N 3.32Å; K167-E169 PolarHBondContact O-N 3.43Å; E169-D172 PolarHBondContact O-N 3.2Å; E169-I173 HydrophobicContact CG-CD1 4.37Å; E169-I173 WeakPolarHBondContact O-CD1 3.44Å; E169-I173 VanDerWaalsContact O-CG1 3.22Å; E169-I173 WeakPolarHBondContact O-CG1 3.46Å; E169-I173 PolarHBondContact O-N 3.04Å
170K86.3Confident84.5Confident157 Ų157116.2 Ų116.268%0.68355%0.548SS*.Hα-helixtrans-65.5-42.3173.8-77.6-177.3176.3-171.70112.9K166 K167 K168 I173 K174K166-K170 WeakPolarHBondContact O-CG 3.04Å; K166-K170 PolarHBondContact O-N 2.84Å; K166-K170 VanDerWaalsContact O-N 3.14Å; K167-K170 PolarHBondContact O-N 2.8Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 2.82Å; K170-I173 PolarHBondContact O-N 2.88Å; K170-K174 WeakPolarHBondContact O-CB 3.23Å; K170-K174 PolarHBondContact O-N 3.19Å
171D87.1Confident84.4Confident75 Ų75120 Ų12040%0.40156%0.557SS.*Hα-helixtrans-64.2-41.1176.7-95.7-84.5000111.5K167 K168 K174 K175K167-D171 PolarHBondContact O-N 3Å; K168-D171 PolarHBondContact O-N 2.91Å; D171-K174 PolarHBondContact O-N 3.12Å; D171-K175 WeakPolarHBondContact O-CB 3.37Å; D171-K175 WeakPolarHBondContact O-CG 3.31Å; D171-K175 PolarHBondContact O-N 3.05Å
172D87.1Confident84Confident107 Ų107120.9 Ų120.957%0.57257%0.565SS**Hα-helixtrans-64.2-43.9175.3-92-70.8000112.1K168 E169 K174 K175 K176K168-D172 PolarHBondContact O-N 3.46Å; E169-D172 PolarHBondContact O-N 3.2Å; D172-K174 VanDerWaalsContact C-N 3.32Å; D172-K174 PolarHBondContact O-N 3.26Å; D172-K175 PolarHBondContact O-N 3.29Å; D172-K176 WeakPolarHBondContact O-CB 2.88Å; D172-K176 PolarHBondContact O-N 2.97Å
173I88.4Confident83.7Confident106 Ų106124.3 Ų124.354%0.54458%0.576SS.*Hα-helixtrans-61.4-42.7174.8-68.6164.6000110.6E169 K170 K176 R177E169-I173 HydrophobicContact CG-CD1 4.37Å; E169-I173 WeakPolarHBondContact O-CD1 3.44Å; E169-I173 VanDerWaalsContact O-CG1 3.22Å; E169-I173 WeakPolarHBondContact O-CG1 3.46Å; E169-I173 PolarHBondContact O-N 3.04Å; K170-I173 PolarHBondContact O-N 2.88Å; I173-K176 PolarHBondContact O-N 2.73Å; I173-R177 WeakPolarHBondContact O-CB 3.4Å; I173-R177 PolarHBondContact O-N 3.17Å
174K87.3Confident82.8Confident126 Ų126120.4 Ų120.455%0.54857%0.565SS.*Hα-helixtrans-65.4-47.2179.7-168.8-177.5175.2-1650111.6K170 D171 D172 K176 R177 E178K170-K174 WeakPolarHBondContact O-CB 3.23Å; K170-K174 PolarHBondContact O-N 3.19Å; D171-K174 PolarHBondContact O-N 3.12Å; D172-K174 VanDerWaalsContact C-N 3.32Å; D172-K174 PolarHBondContact O-N 3.26Å; K174-K176 VanDerWaalsContact C-N 3.31Å; K174-K176 PolarHBondContact O-N 2.99Å; K174-R177 WeakPolarHBondContact O-CB 3.38Å; K174-R177 PolarHBondContact O-N 3.01Å; K174-E178 WeakPolarHBondContact CE-OE1 3.32Å; K174-E178 IonicContact NZ-OE1 3.22Å; K174-E178 WeakPolarHBondContact O-CG 3.31Å; K174-E178 PolarHBondContact O-N 2.88Å
175K86.6Confident81.4Confident120 Ų120125 Ų12552%0.52258%0.577SS.*Hα-helixtrans-60.6-40.2176-75.1176.2-177175.30112.3D171 D172 R177 E178 L179D171-K175 WeakPolarHBondContact O-CB 3.37Å; D171-K175 WeakPolarHBondContact O-CG 3.31Å; D171-K175 PolarHBondContact O-N 3.05Å; D172-K175 PolarHBondContact O-N 3.29Å; K175-R177 VanDerWaalsContact C-N 3.35Å; K175-E178 PolarHBondContact O-N 3.31Å; K175-L179 WeakPolarHBondContact O-CB 3.39Å; K175-L179 VanDerWaalsContact O-CG 3.32Å; K175-L179 WeakPolarHBondContact O-CG 3.42Å; K175-L179 PolarHBondContact O-N 3.2Å
176K86.1Confident80Confident134 Ų134123.5 Ų123.558%0.58358%0.577SS**Hα-helixtrans-63.2-43.2176.6-167.2178.9177.8-176.10111.1D172 I173 K174 L179 E180D172-K176 WeakPolarHBondContact O-CB 2.88Å; D172-K176 PolarHBondContact O-N 2.97Å; I173-K176 PolarHBondContact O-N 2.73Å; K174-K176 VanDerWaalsContact C-N 3.31Å; K174-K176 PolarHBondContact O-N 2.99Å; K176-L179 PolarHBondContact O-N 3.42Å; K176-E180 WeakPolarHBondContact O-CB 3.07Å; K176-E180 WeakPolarHBondContact O-CG 3.46Å; K176-E180 PolarHBondContact O-N 3.3Å
177R83.5Confident78.4Confident187 Ų187122 Ų12271%0.70658%0.583SS**Hα-helixtrans-63.1-44.7175.5-163.2-178.2-146.1170.16112.4I173 K174 K175 L179 E180 E181I173-R177 WeakPolarHBondContact O-CB 3.4Å; I173-R177 PolarHBondContact O-N 3.17Å; K174-R177 WeakPolarHBondContact O-CB 3.38Å; K174-R177 PolarHBondContact O-N 3.01Å; K175-R177 VanDerWaalsContact C-N 3.35Å; R177-L179 VanDerWaalsContact C-N 3.32Å; R177-L179 PolarHBondContact O-N 3.36Å; R177-E180 PolarHBondContact O-N 3.4Å; R177-E181 WeakPolarHBondContact O-CB 3.45Å; R177-E181 PolarHBondContact O-N 3.13Å
178E81.8Confident76.7Confident92 Ų92120.5 Ų120.543%0.4358%0.581SS.*Hα-helixtrans-62.4-39.6176.2-72.3171155.700111.3K174 K175 E181 L182K174-E178 WeakPolarHBondContact CE-OE1 3.32Å; K174-E178 IonicContact NZ-OE1 3.22Å; K174-E178 WeakPolarHBondContact O-CG 3.31Å; K174-E178 PolarHBondContact O-N 2.88Å; K175-E178 PolarHBondContact O-N 3.31Å; E178-E181 PolarHBondContact O-N 3.18Å; E178-L182 WeakPolarHBondContact O-CB 3.37Å; E178-L182 PolarHBondContact O-N 3.27Å
179L79.8Confident75.1Confident100 Ų100121.7 Ų121.752%0.52459%0.59SS.*Hα-helixtrans-67.7-39.9174.3-78166.9000112.8K175 K176 R177 E181 K183K175-L179 WeakPolarHBondContact O-CB 3.39Å; K175-L179 VanDerWaalsContact O-CG 3.32Å; K175-L179 WeakPolarHBondContact O-CG 3.42Å; K175-L179 PolarHBondContact O-N 3.2Å; K176-L179 PolarHBondContact O-N 3.42Å; R177-L179 VanDerWaalsContact C-N 3.32Å; R177-L179 PolarHBondContact O-N 3.36Å; L179-E181 VanDerWaalsContact C-N 3.34Å; L179-K183 VanDerWaalsContact O-CB 3.3Å; L179-K183 WeakPolarHBondContact O-CB 3.12Å; L179-K183 VanDerWaalsContact O-CG 3.23Å; L179-K183 WeakPolarHBondContact O-CG 3.49Å; L179-K183 PolarHBondContact O-N 2.92Å
180E80Confident73.6Confident117 Ų117118.6 Ų118.655%0.54758%0.58SS.*Hα-helixtrans-66.4-38.3175.1-75.7175.8120.100111.1K176 R177 K183 S184K176-E180 WeakPolarHBondContact O-CB 3.07Å; K176-E180 WeakPolarHBondContact O-CG 3.46Å; K176-E180 PolarHBondContact O-N 3.3Å; R177-E180 PolarHBondContact O-N 3.4Å; E180-K183 PolarHBondContact O-N 3.28Å; E180-S184 WeakPolarHBondContact O-CB 3.31Å; E180-S184 PolarHBondContact O-N 3.46Å; E180-S184 PolarHBondContact O-OG 3.47Å
181E79.1Confident72Confident134 Ų134115.8 Ų115.863%0.62658%0.58SS**Hα-helixtrans-68.4-41.6175.5-166.2172.810000111.8R177 E178 L179 K183 S184R177-E181 WeakPolarHBondContact O-CB 3.45Å; R177-E181 PolarHBondContact O-N 3.13Å; E178-E181 PolarHBondContact O-N 3.18Å; L179-E181 VanDerWaalsContact C-N 3.34Å; E181-K183 VanDerWaalsContact C-N 3.33Å; E181-K183 PolarHBondContact O-N 3.04Å; E181-S184 CarbonylContact O-C 3.58Å; E181-S184 PolarHBondContact O-N 3.18Å; E181-S184 PolarHBondContact O-OG 3.45Å
182L71.6Confident70.5Confident139 Ų139119.1 Ų119.173%0.72860%0.598SS**Hα-helixtrans-64.4-34.6171.7-99.6146.8000113E178E178-L182 WeakPolarHBondContact O-CB 3.37Å; E178-L182 PolarHBondContact O-N 3.27Å
183K73.3Confident68.9Low166 Ų166120.1 Ų120.172%0.72260%0.603SS**Hα-helixtrans-76.4-34.4176.3-78.7175.3179.6-178.10112.3L179 E180 E181 Y185L179-K183 VanDerWaalsContact O-CB 3.3Å; L179-K183 WeakPolarHBondContact O-CB 3.12Å; L179-K183 VanDerWaalsContact O-CG 3.23Å; L179-K183 WeakPolarHBondContact O-CG 3.49Å; L179-K183 PolarHBondContact O-N 2.92Å; E180-K183 PolarHBondContact O-N 3.28Å; E181-K183 VanDerWaalsContact C-N 3.33Å; E181-K183 PolarHBondContact O-N 3.04Å; K183-Y185 PolarHBondContact O-N 3.27Å; K183-Y185 VanDerWaalsContact O-N 3.16Å
184S65.6Low67.3Low61 Ų61120.7 Ų120.743%0.42761%0.605SS.*SBendtrans-77.398.217183.50000107.5E180 E181 S186E180-S184 WeakPolarHBondContact O-CB 3.31Å; E180-S184 PolarHBondContact O-N 3.46Å; E180-S184 PolarHBondContact O-OG 3.47Å; E181-S184 CarbonylContact O-C 3.58Å; E181-S184 PolarHBondContact O-N 3.18Å; E181-S184 PolarHBondContact O-OG 3.45Å; S184-S186 PolarHBondContact O-N 3.45Å
185Y55.8Low65.8Low170 Ų170120.7 Ų120.767%0.66762%0.616SS**G310 helixtrans-64.240.6173.2-88.9-74.1000113.3K183 S187 L188 M189K183-Y185 PolarHBondContact O-N 3.27Å; K183-Y185 VanDerWaalsContact O-N 3.16Å; Y185-S187 VanDerWaalsContact C-N 3.31Å; Y185-S187 PolarHBondContact O-N 2.71Å; Y185-L188 HydrophobicContact CD1-CB 4.08Å; Y185-L188 HydrophobicContact CD1-CD1 3.18Å; Y185-L188 HydrophobicContact CD1-CG 3.62Å; Y185-L188 HydrophobicContact CE1-CD1 3.27Å; Y185-L188 HydrophobicContact CE1-CG 4.07Å; Y185-L188 HydrophobicContact CG-CD1 4.23Å; Y185-L188 PolarHBondContact O-N 2.67Å; Y185-M189 PolarHBondContact O-N 2.9Å
186S54.4Low64.3Low82 Ų82121 Ų12157%0.57363%0.628SS**G310 helixtrans-68.3-30.5178.474.40000111.9S184 L188 M189S184-S186 PolarHBondContact O-N 3.45Å; S186-L188 PolarHBondContact O-N 3.18Å; S186-M189 PolarHBondContact O-N 2.71Å; S186-M189 VanDerWaalsContact O-N 3.14Å
187S54Low62.9Low102 Ų102122.4 Ų122.471%0.71364%0.642SS**G310 helixtrans-70.9-11.6172.6-177.20000114.1Y185Y185-S187 VanDerWaalsContact C-N 3.31Å; Y185-S187 PolarHBondContact O-N 2.71Å
188L51.8Low61.4Low109 Ų109122.2 Ų122.257%0.57165%0.649SS**G310 helixtrans-95.4-9.7170.3-76.3-170.5000113.1Y185 S186 T190Y185-L188 HydrophobicContact CD1-CB 4.08Å; Y185-L188 HydrophobicContact CD1-CD1 3.18Å; Y185-L188 HydrophobicContact CD1-CG 3.62Å; Y185-L188 HydrophobicContact CE1-CD1 3.27Å; Y185-L188 HydrophobicContact CE1-CG 4.07Å; Y185-L188 HydrophobicContact CG-CD1 4.23Å; Y185-L188 PolarHBondContact O-N 2.67Å; S186-L188 PolarHBondContact O-N 3.18Å; L188-T190 VanDerWaalsContact C-N 3.31Å; L188-T190 PolarHBondContact O-N 2.67Å
189M51.6Low59.7Low140 Ų140125.6 Ų125.669%0.6967%0.67SS**  trans-96.538.2176.3-76.6-84.4-175.100111.4Y185 S186 M194Y185-M189 PolarHBondContact O-N 2.9Å; S186-M189 PolarHBondContact O-N 2.71Å; S186-M189 VanDerWaalsContact O-N 3.14Å; M189-M194 HydrophobicContact SD-CE 3.76Å
190T54Low58.4Low67 Ų67124.2 Ų124.241%0.41168%0.68SS.*  trans-76.4134168.3-45.40000108.3L188 D192 N193L188-T190 VanDerWaalsContact C-N 3.31Å; L188-T190 PolarHBondContact O-N 2.67Å; T190-D192 PolarHBondContact O-N 2.73Å; T190-N193 PolarHBondContact O-N 3.45Å
191S53.8Low57Low97 Ų97126.1 Ų126.168%0.67869%0.694SS**G310 helixtrans-56.8-19.2-177.2470000114.5N193 M194S191-N193 PolarHBondContact O-N 3.26Å; S191-M194 PolarHBondContact O-N 3.33Å
192D54.1Low55.7Low146 Ų146127.4 Ų127.478%0.78171%0.705SS**G310 helixtrans-65-20.7173.7-73.6-77000114.3T190T190-D192 PolarHBondContact O-N 2.73Å
193N54.2Low54.3Low127 Ų127125.7 Ų125.768%0.67971%0.705SS**G310 helixtrans-106.47.2178.4-78.3-33.2000113.9T190 S191T190-N193 PolarHBondContact O-N 3.45Å; S191-N193 PolarHBondContact O-N 3.26Å
194M54Low53Low118 Ų118125.4 Ų125.458%0.58171%0.711SS**  trans-91.4100.8173.4-71.4-169.8-16000110M189 S191M189-M194 HydrophobicContact SD-CE 3.76Å; S191-M194 PolarHBondContact O-N 3.33Å
195T56Low52.3Low127 Ų127130.1 Ų130.178%0.77973%0.732SS**  trans-80.811716445.20000109.4
196T56Low51.6Low125 Ų125130.8 Ų130.877%0.76774%0.738SS**  trans-67.6124.3169.934.20000110.2E198T196-E198 PolarHBondContact O-N 3.49Å; T196-E198 VanDerWaalsContact O-N 3.08Å
197N56.8Low51Low165 Ų165138 Ų13888%0.88277%0.765SS**  trans-79.732.2175.4-71-11.1000113
198E51.1Low50.8Low182 Ų182139.8 Ų139.885%0.8577%0.768SS**  trans-108.954.9-177-152.8-179.4128.300110.7T196T196-E198 PolarHBondContact O-N 3.49Å; T196-E198 VanDerWaalsContact O-N 3.08Å
199D46.8Very low50.8Low163 Ų163141.4 Ų141.487%0.87278%0.778SS**SBendtrans-143.4105.4163.7-139.4-72.8000110.2
200G52.2Low50.7Low71 Ų71141.4 Ų141.473%0.73278%0.783SS**  trans7076149.900000118.5
201N50.2Low50.5Low158 Ų158145.8 Ų145.885%0.84581%0.805SS**  trans-116.276151.1-159.647.4000109.9
202D51.4Low50.3Low161 Ų161148.9 Ų148.986%0.86181%0.813SS**  trans-116.187.6167.7-150.616.3000107.6
203S43.2Very low50.1Low103 Ų103149.1 Ų149.172%0.7282%0.815SS**  trans-169.4105.614936.80000110.3
204D46.5Very low49.8Very low160 Ų160150.6 Ų150.686%0.85683%0.825SS**  trans-50.2130.8156-107.8-21000111.1
205D51.2Low49.5Very low160 Ų160153.2 Ų153.286%0.85684%0.844SS**  trans-148.288.5146.7-157.628000109.7
206F39.7Very low48.9Very low184 Ų184155.3 Ų155.381%0.80785%0.849SS**  trans-105.4113.3168.8-174.6-91.1000108.1
207M41.9Very low48.3Very low232 Ų232158.1 Ų158.1100%1.14386%0.857SS**  trans-97.90149.5-80-155.5-168.500109.3

Retrieved 207 of 207 residues in 797.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).