A0A087Y7J1_POEFO Loading...

Alpha/beta-tubulin-N-acetyltransferase 9

N-acetyltransferase that mediates the acetylation of the N-terminal residues of alpha- and beta-tubulin.

AlphaFold DB , UniProt , Accession A0A087Y7J1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 210 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.3Confident94.4Very high15 Ų1536 Ų367%0.07418%0.175CC..  0146.30-77.4173.8-168.600110I3 N4 W57 R58 D60 N61 K63 C64 L93 L134M1-I3 HydrophobicContact CB-CG2 3.97Å; M1-I3 HydrophobicContact SD-CG2 3.9Å; M1-N4 PolarHBondContact O-OD1 2.86Å; M1-W57 PolarHBondContact N-O 3.19Å; M1-R58 CarbonylContact C-O 3.55Å; M1-R58 WeakPolarHBondContact CA-O 3.45Å; M1-R58 PolarHBondContact N-O 3.47Å; M1-D60 WeakPolarHBondContact CA-O 3.46Å; M1-D60 VanDerWaalsContact CG-O 3.22Å; M1-D60 WeakPolarHBondContact CG-O 3.47Å; M1-D60 PolarHBondContact N-O 3.49Å; M1-N61 WeakPolarHBondContact CE-O 3.43Å; M1-N61 VanDerWaalsContact CG-C 3.45Å; M1-N61 WeakPolarHBondContact CG-O 3.42Å; M1-K63 WeakPolarHBondContact CA-O 3.29Å; M1-K63 WeakPolarHBondContact CB-O 3.38Å; M1-K63 WeakPolarHBondContact CG-O 3.16Å; M1-K63 PolarHBondContact N-O 3.32Å; M1-C64 HydrophobicContact CE-CB 4.45Å; M1-C64 HydrophobicContact SD-CB 3.75Å; M1-L93 HydrophobicContact CE-CD1 3.5Å; M1-L93 VanDerWaalsContact CE-CD1 3.5Å; M1-L93 HydrophobicContact CE-CG 4Å; M1-L134 HydrophobicContact CE-CD2 4.37Å; M1-L134 HydrophobicContact SD-CD2 3.87Å
2K88.6Confident94.6Very high127 Ų12743.5 Ų43.555%0.55221%0.209SC*.  trans-84.5-13.7172.9-64.9-171.4179.1-178.50114.4N4 E5K2-N4 PolarHBondContact O-N 3.01Å; K2-E5 VanDerWaalsContact O-CB 3.27Å; K2-E5 WeakPolarHBondContact O-CB 3.47Å; K2-E5 WeakPolarHBondContact O-CG 3.44Å; K2-E5 PolarHBondContact O-N 2.72Å
3I92.3Very high94.8Very high88 Ų8850.8 Ų50.845%0.45123%0.234SC..THydrogen-bonded Turntrans-58.7-34.6-174.3-167.6172.1000113.4M1 L134M1-I3 HydrophobicContact CB-CG2 3.97Å; M1-I3 HydrophobicContact SD-CG2 3.9Å; I3-L134 HydrophobicContact CD1-CD2 4.12Å; I3-L134 HydrophobicContact CG2-CD2 3.95Å
4N95.3Very high95.1Very high7 Ų747.3 Ų47.34%0.03722%0.217CC..THydrogen-bonded Turntrans-956.8178.968.8-41.2000113.6M1 K2 N6 T7 P18 T65 F66 Y129M1-N4 PolarHBondContact O-OD1 2.86Å; K2-N4 PolarHBondContact O-N 3.01Å; N4-N6 PolarHBondContact O-N 2.8Å; N4-T7 PolarHBondContact O-N 2.77Å; N4-P18 WeakPolarHBondContact O-CG 3.29Å; N4-T65 PolarHBondContact ND2-O 2.85Å; N4-F66 HydrophobicContact CB-CE1 3.94Å; N4-F66 HydrophobicContact CB-CE2 4.01Å; N4-F66 HydrophobicContact CB-CZ 3.44Å; N4-F66 VanDerWaalsContact CB-CZ 3.44Å; N4-Y129 WeakPolarHBondContact CB-OH 3.37Å
5E94.5Very high95.3Very high66 Ų6644.5 Ų44.531%0.30821%0.205SC..THydrogen-bonded Turntrans-61.3-22.4-167.574.3-176.2165.700115.3K2 P18K2-E5 VanDerWaalsContact O-CB 3.27Å; K2-E5 WeakPolarHBondContact O-CB 3.47Å; K2-E5 WeakPolarHBondContact O-CG 3.44Å; K2-E5 PolarHBondContact O-N 2.72Å; E5-P18 WeakPolarHBondContact O-CG 3.39Å
6N95.8Very high95.5Very high47 Ų4741.8 Ų41.825%0.25119%0.192SC..THydrogen-bonded Turntrans-120.717.9175.5-56.4-38.4000112.1N4 D196 Y197 K198N4-N6 PolarHBondContact O-N 2.8Å; N6-D196 WeakPolarHBondContact O-CA 3.48Å; N6-Y197 PolarHBondContact O-N 2.66Å; N6-K198 WeakPolarHBondContact OD1-CD 3.36Å; N6-K198 WeakPolarHBondContact OD1-CE 3.41Å; N6-K198 PolarHBondContact OD1-NZ 3.49Å
7T97.8Very high95.7Very high14 Ų1439.3 Ų39.39%0.08618%0.181CC..EExtended strand (participates in β ladder)trans-96.8127.9-177.1-60.70000111N4 L9 P18 F66 Y129 E194N4-T7 PolarHBondContact O-N 2.77Å; T7-L9 HydrophobicContact CG2-CD2 3.85Å; T7-L9 HydrophobicContact CG2-CG 4.12Å; T7-P18 WeakPolarHBondContact O-CD 3.45Å; T7-P18 WeakPolarHBondContact O-CG 3.38Å; T7-F66 HydrophobicContact CG2-CE1 4.2Å; T7-F66 HydrophobicContact CG2-CZ 4.16Å; T7-Y129 HydrophobicContact CG2-CE2 3.97Å; T7-E194 HydrophobicContact CG2-CG 3.96Å
8L98.3Very high95.8Very high2 Ų237.3 Ų37.31%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-116.6122.5165.9-179.1163.1000109E10 L15 L16 V17 E194 R195 Y197 T200L8-E10 HydrophobicContact CD2-CB 3.98Å; L8-L15 HydrophobicContact CD2-CD2 4.16Å; L8-L16 WeakPolarHBondContact CA-O 3.45Å; L8-V17 HydrophobicContact CD1-CG1 4.16Å; L8-V17 HydrophobicContact CG-CG1 4.14Å; L8-E194 CarbonylContact O-C 3.5Å; L8-E194 WeakPolarHBondContact O-CA 3.3Å; L8-R195 HydrophobicContact CB-CB 4.41Å; L8-R195 HydrophobicContact CD2-CB 4.3Å; L8-R195 PolarHBondContact N-O 3.23Å; L8-R195 PolarHBondContact O-N 2.92Å; L8-Y197 HydrophobicContact CB-CD2 4.42Å; L8-Y197 HydrophobicContact CD1-CD2 4.3Å; L8-T200 HydrophobicContact CD1-CG2 3.86Å
9L98.6Very high95.8Very high1 Ų136.3 Ų36.31%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-100.1115172.7-52.7174.2000109.6T7 L15 L16 F66 M125 Y129 M192 E194T7-L9 HydrophobicContact CG2-CD2 3.85Å; T7-L9 HydrophobicContact CG2-CG 4.12Å; L9-L15 CarbonylContact O-C 3.59Å; L9-L15 WeakPolarHBondContact O-CA 3.28Å; L9-L16 HydrophobicContact CB-CB 4.05Å; L9-L16 HydrophobicContact CB-CD1 4.45Å; L9-L16 HydrophobicContact CB-CG 4.44Å; L9-L16 HydrophobicContact CD1-CB 4.49Å; L9-L16 HydrophobicContact CD1-CD1 4.07Å; L9-L16 PolarHBondContact N-O 2.79Å; L9-L16 PolarHBondContact O-N 2.91Å; L9-F66 HydrophobicContact CD1-CZ 4.28Å; L9-M125 HydrophobicContact CB-CE 3.79Å; L9-M125 WeakPolarHBondContact O-CE 3.31Å; L9-Y129 HydrophobicContact CD1-CD2 3.9Å; L9-Y129 HydrophobicContact CD1-CG 4.18Å; L9-Y129 HydrophobicContact CD2-CD2 4.27Å; L9-M192 HydrophobicContact CB-CG 4.42Å; L9-M192 HydrophobicContact CB-SD 4.21Å; L9-M192 HydrophobicContact CD1-SD 4.28Å; L9-M192 HydrophobicContact CD2-CE 4.47Å; L9-M192 HydrophobicContact CD2-SD 4.32Å; L9-E194 HydrophobicContact CD2-CB 4.17Å; L9-E194 HydrophobicContact CD2-CG 4.04Å
10E98.4Very high95.8Very high26 Ų2635.2 Ų35.212%0.12116%0.162CC..EExtended strand (participates in β ladder)trans-94.8117.2-179.4179.7-173.4-177.100110.3L8 L15 K71 M192 K193 R195L8-E10 HydrophobicContact CD2-CB 3.98Å; E10-L15 HydrophobicContact CB-CD2 3.86Å; E10-L15 HydrophobicContact CG-CD2 3.66Å; E10-K71 WeakPolarHBondContact OE1-CE 3.47Å; E10-K71 IonicContact OE1-NZ 2.72Å; E10-K71 PolarHBondContact OE1-NZ 3.29Å; E10-M192 WeakPolarHBondContact O-CA 3.25Å; E10-K193 HydrophobicContact CB-CB 4.32Å; E10-K193 PolarHBondContact N-O 2.73Å; E10-K193 PolarHBondContact O-N 3.4Å; E10-K193 VanDerWaalsContact O-N 3.08Å; E10-R195 IonicContact OE1-NH2 3.49Å; E10-R195 PolarHBondContact OE1-NH2 2.8Å; E10-R195 IonicContact OE2-CZ 3.04Å; E10-R195 IonicContact OE2-NE 2.77Å; E10-R195 PolarHBondContact OE2-NE 2.91Å; E10-R195 IonicContact OE2-NH2 2.66Å; E10-R195 PolarHBondContact OE2-NH2 3.5Å
11G98.1Very high95.8Very high3 Ų339.5 Ų39.53%0.03118%0.182CC..  trans-97-164.917200000113.6V14 K71G11-V14 WeakPolarHBondContact CA-O 3.11Å; G11-V14 PolarHBondContact N-O 3.46Å; G11-K71 PolarHBondContact O-NZ 3.46Å
12H96.9Very high96.4Very high126 Ų12644.7 Ų44.758%0.58321%0.207SC*.SBendtrans-74-48.1173-76.8-51.8000111.8K71 E121 Y191H12-K71 WeakPolarHBondContact O-CD 3.38Å; H12-E121 WeakPolarHBondContact CA-OE1 3.04Å; H12-E121 WeakPolarHBondContact CB-OE1 3.32Å; H12-E121 PolarHBondContact N-OE1 2.84Å; H12-Y191 AromaticContact CD2-CD1 3.46Å; H12-Y191 VanDerWaalsContact CD2-CD1 3.46Å; H12-Y191 WeakPolarHBondContact CD2-CD1 3.42Å; H12-Y191 AromaticContact CD2-CD2 3.67Å; H12-Y191 AromaticContact CD2-CE1 3.51Å; H12-Y191 AromaticContact CD2-CE2 3.77Å; H12-Y191 AromaticContact CD2-CG 3.53Å; H12-Y191 AromaticContact CD2-CZ 3.69Å; H12-Y191 VanDerWaalsContact CE1-CB 3.47Å; H12-Y191 WeakPolarHBondContact CE1-CB 3.35Å; H12-Y191 AromaticContact CE1-CD1 3.96Å; H12-Y191 AromaticContact CE1-CG 3.59Å; H12-Y191 AromaticContact CG-CD2 3.95Å; H12-Y191 AromaticContact NE2-CD1 3.11Å; H12-Y191 WeakPolarHBondContact NE2-CD1 3.32Å; H12-Y191 AromaticContact NE2-CD2 3.82Å; H12-Y191 AromaticContact NE2-CE1 3.65Å; H12-Y191 AromaticContact NE2-CG 3.19Å
13R96.9Very high96.8Very high139 Ų13938.7 Ų38.753%0.52518%0.18SC..SBendtrans-113.6-19.5-174.7-60.3-179.3177.4-175.31.3113.6K71 R116 E121R13-K71 WeakPolarHBondContact O-CB 3.44Å; R13-K71 PolarHBondContact O-N 3.36Å; R13-R116 PolarHBondContact NH1-O 2.8Å; R13-E121 WeakPolarHBondContact CB-OE2 3.37Å; R13-E121 PolarHBondContact N-OE1 2.71Å
14V98.3Very high97.1Very high1 Ų134.5 Ų34.51%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-129.8160.3-174.3-64.20000112.3G11 I68 L69 I118 E121 V122 M125G11-V14 WeakPolarHBondContact CA-O 3.11Å; G11-V14 PolarHBondContact N-O 3.46Å; V14-I68 HydrophobicContact CB-CG2 3.84Å; V14-I68 HydrophobicContact CG1-CG2 3.73Å; V14-I68 HydrophobicContact CG2-CG2 4.41Å; V14-L69 CarbonylContact C-O 3.49Å; V14-L69 WeakPolarHBondContact CA-O 3.49Å; V14-L69 WeakPolarHBondContact CB-O 3.04Å; V14-I118 HydrophobicContact CG1-CG1 4.38Å; V14-I118 HydrophobicContact CG1-CG2 3.65Å; V14-E121 HydrophobicContact CG2-CG 4.03Å; V14-V122 HydrophobicContact CG2-CG2 3.85Å; V14-M125 HydrophobicContact CG2-SD 4.19Å
15L98.4Very high97.2Very high6 Ų636.3 Ų36.33%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-114.8143.8164.7-51.9173.4000108.1L8 L9 E10 V17 I68 L69 K71 W74L8-L15 HydrophobicContact CD2-CD2 4.16Å; L9-L15 CarbonylContact O-C 3.59Å; L9-L15 WeakPolarHBondContact O-CA 3.28Å; E10-L15 HydrophobicContact CB-CD2 3.86Å; E10-L15 HydrophobicContact CG-CD2 3.66Å; L15-V17 HydrophobicContact CB-CG1 4.43Å; L15-I68 WeakPolarHBondContact O-CA 3.46Å; L15-L69 HydrophobicContact CB-CB 4.24Å; L15-L69 PolarHBondContact N-O 3.06Å; L15-L69 PolarHBondContact O-N 3.06Å; L15-K71 HydrophobicContact CD2-CD 4.34Å; L15-K71 HydrophobicContact CD2-CG 4.13Å; L15-K71 HydrophobicContact CG-CB 4.28Å; L15-K71 HydrophobicContact CG-CG 4.32Å; L15-W74 HydrophobicContact CD1-CB 3.87Å; L15-W74 HydrophobicContact CD1-CD2 3.88Å; L15-W74 HydrophobicContact CD1-CG 3.35Å
16L98.7Very high97.3Very high0 Ų037 Ų370%017%0.171CC..EExtended strand (participates in β ladder)trans-106.8118.3166.9-53.7-177.6000108L8 L9 F66 I67 I68 V89 V122 M125L8-L16 WeakPolarHBondContact CA-O 3.45Å; L9-L16 HydrophobicContact CB-CB 4.05Å; L9-L16 HydrophobicContact CB-CD1 4.45Å; L9-L16 HydrophobicContact CB-CG 4.44Å; L9-L16 HydrophobicContact CD1-CB 4.49Å; L9-L16 HydrophobicContact CD1-CD1 4.07Å; L9-L16 PolarHBondContact N-O 2.79Å; L9-L16 PolarHBondContact O-N 2.91Å; L16-F66 HydrophobicContact CB-CB 3.84Å; L16-F66 HydrophobicContact CB-CD1 3.84Å; L16-F66 HydrophobicContact CB-CG 3.92Å; L16-I67 WeakPolarHBondContact CA-O 3.48Å; L16-I68 HydrophobicContact CD2-CB 4.31Å; L16-I68 HydrophobicContact CD2-CG1 3.79Å; L16-I68 HydrophobicContact CD2-CG2 4.32Å; L16-V89 HydrophobicContact CD1-CG1 4.21Å; L16-V89 HydrophobicContact CD2-CG1 4.06Å; L16-V122 HydrophobicContact CD2-CG1 4.09Å; L16-V122 HydrophobicContact CD2-CG2 4.28Å; L16-M125 HydrophobicContact CD1-CB 3.81Å; L16-M125 HydrophobicContact CD1-CE 4Å; L16-M125 HydrophobicContact CG-CE 3.88Å
17V98.3Very high97.3Very high0 Ų035.4 Ų35.40%016%0.161CC..EExtended strand (participates in β ladder)trans-120.8155.8-177.8-61.70000110.8L8 L15 F66 I67 L69 E81 Y197L8-V17 HydrophobicContact CD1-CG1 4.16Å; L8-V17 HydrophobicContact CG-CG1 4.14Å; L15-V17 HydrophobicContact CB-CG1 4.43Å; V17-F66 CarbonylContact O-C 3.57Å; V17-F66 WeakPolarHBondContact O-CA 3.42Å; V17-F66 WeakPolarHBondContact O-CB 3.26Å; V17-F66 WeakPolarHBondContact O-CD1 3.44Å; V17-I67 HydrophobicContact CG2-CB 3.91Å; V17-I67 HydrophobicContact CG2-CG2 4.42Å; V17-I67 PolarHBondContact N-O 2.97Å; V17-I67 PolarHBondContact O-N 3.48Å; V17-L69 HydrophobicContact CB-CD1 4.38Å; V17-L69 HydrophobicContact CG1-CD1 3.69Å; V17-L69 HydrophobicContact CG1-CG 4.28Å; V17-L69 HydrophobicContact CG2-CD1 3.81Å; V17-L69 HydrophobicContact CG2-CD2 4.17Å; V17-L69 HydrophobicContact CG2-CG 3.83Å; V17-E81 WeakPolarHBondContact CG2-OE1 3.46Å; V17-Y197 HydrophobicContact CB-CD2 3.95Å; V17-Y197 HydrophobicContact CB-CE2 3.66Å; V17-Y197 HydrophobicContact CG1-CD2 3.88Å; V17-Y197 HydrophobicContact CG1-CE2 3.76Å
18P97.4Very high97.3Very high3 Ų336 Ų362%0.01916%0.163CC..EExtended strand (participates in β ladder)trans-63.8143.7-178-16.431.8000110.8N4 E5 T7 N20 H23 Y197N4-P18 WeakPolarHBondContact O-CG 3.29Å; E5-P18 WeakPolarHBondContact O-CG 3.39Å; T7-P18 WeakPolarHBondContact O-CD 3.45Å; T7-P18 WeakPolarHBondContact O-CG 3.38Å; P18-N20 PolarHBondContact O-N 3.34Å; P18-N20 VanDerWaalsContact O-N 3.12Å; P18-N20 PolarHBondContact O-ND2 3.13Å; P18-H23 PolarHBondContact O-CE1 2.9Å; P18-Y197 HydrophobicContact CG-CD1 3.94Å; P18-Y197 HydrophobicContact CG-CE1 4.44Å; P18-Y197 HydrophobicContact CG-CG 4Å
19Y96.8Very high97.2Very high18 Ų1840.6 Ų40.67%0.07118%0.184CC..  trans-74105.5175.5-177.1-152.8000111.2H23 V24 Q54 T65 I67Y19-H23 HydrophobicContact CD2-CB 3.78Å; Y19-H23 HydrophobicContact CE2-CB 3.72Å; Y19-V24 HydrophobicContact CE2-CG2 4.27Å; Y19-Q54 HydrophobicContact CD1-CB 4.46Å; Y19-Q54 HydrophobicContact CD1-CG 3.75Å; Y19-Q54 HydrophobicContact CD2-CG 4.1Å; Y19-Q54 HydrophobicContact CE1-CB 3.72Å; Y19-Q54 HydrophobicContact CE1-CG 3.41Å; Y19-Q54 VanDerWaalsContact CE1-CG 3.41Å; Y19-Q54 HydrophobicContact CE2-CG 3.78Å; Y19-Q54 HydrophobicContact CG-CG 4.09Å; Y19-Q54 VanDerWaalsContact CZ-CG 3.42Å; Y19-Q54 PolarHBondContact O-NE2 3.49Å; Y19-T65 HydrophobicContact CD1-CG2 3.98Å; Y19-T65 HydrophobicContact CG-CG2 4.18Å; Y19-I67 HydrophobicContact CD2-CD1 3.66Å; Y19-I67 HydrophobicContact CD2-CG1 3.71Å; Y19-I67 HydrophobicContact CE2-CD1 4.19Å; Y19-I67 HydrophobicContact CG-CD1 4.03Å; Y19-I67 HydrophobicContact CG-CG1 4.17Å
20N95.4Very high97.1Very high15 Ų1541.1 Ų41.18%0.0819%0.187CC..  trans-106.5166.7179.3-68.1-54.6000112.2P18 E22 H23 R58 Y197P18-N20 PolarHBondContact O-N 3.34Å; P18-N20 VanDerWaalsContact O-N 3.12Å; P18-N20 PolarHBondContact O-ND2 3.13Å; N20-E22 PolarHBondContact O-N 2.91Å; N20-H23 PolarHBondContact N-ND1 3.28Å; N20-H23 WeakPolarHBondContact O-CB 3.19Å; N20-H23 PolarHBondContact O-N 3.15Å; N20-R58 PolarHBondContact OD1-NH1 3.18Å; N20-R58 VanDerWaalsContact OD1-NH1 3.12Å; N20-R58 PolarHBondContact OD1-NH2 2.99Å; N20-Y197 WeakPolarHBondContact ND2-CE1 3.35Å; N20-Y197 PolarHBondContact ND2-OH 3.44Å
21E95.4Very high96.9Very high125 Ų12540.3 Ų40.358%0.58418%0.183SC*.G310 helixtrans-55.3-38179.2-175.5173.8177.600112.8H23 V24 Y51E21-H23 PolarHBondContact O-N 3.13Å; E21-H23 VanDerWaalsContact O-N 3.12Å; E21-V24 VanDerWaalsContact O-CB 3.29Å; E21-V24 WeakPolarHBondContact O-CB 3.17Å; E21-V24 WeakPolarHBondContact O-CG2 3.34Å; E21-V24 PolarHBondContact O-N 3.08Å; E21-Y51 HydrophobicContact CG-CD1 3.68Å; E21-Y51 HydrophobicContact CG-CE1 3.44Å; E21-Y51 VanDerWaalsContact CG-CE1 3.44Å
22E95Very high96.8Very high125 Ų12545.3 Ų45.358%0.58420%0.204SC*.G310 helixtrans-59.8-23.1178.3-63.8168.5-147.900112.9N20 P25 E82N20-E22 PolarHBondContact O-N 2.91Å; E22-P25 WeakPolarHBondContact O-CD 3.36Å; E22-E82 VanDerWaalsContact O-CG 3.24Å; E22-E82 WeakPolarHBondContact O-CG 3.35Å; E22-E82 VanDerWaalsContact O-OE1 3.08Å
23H97.3Very high96.8Very high0 Ų041 Ų410%019%0.188CC..G310 helixtrans-81.9-16.8178.8-58150.6000113.3P18 Y19 N20 E21 R26 Y27 I67 E81 M85P18-H23 PolarHBondContact O-CE1 2.9Å; Y19-H23 HydrophobicContact CD2-CB 3.78Å; Y19-H23 HydrophobicContact CE2-CB 3.72Å; N20-H23 PolarHBondContact N-ND1 3.28Å; N20-H23 WeakPolarHBondContact O-CB 3.19Å; N20-H23 PolarHBondContact O-N 3.15Å; E21-H23 PolarHBondContact O-N 3.13Å; E21-H23 VanDerWaalsContact O-N 3.12Å; H23-R26 PolarHBondContact O-N 3.15Å; H23-Y27 WeakPolarHBondContact O-CB 3.21Å; H23-Y27 PolarHBondContact O-N 3.12Å; H23-I67 HydrophobicContact CB-CG1 4.25Å; H23-I67 WeakPolarHBondContact ND1-CG1 3.3Å; H23-E81 IonicContact CE1-OE1 2.87Å; H23-E81 PolarHBondContact CE1-OE1 2.98Å; H23-E81 VanDerWaalsContact CE1-OE1 3.29Å; H23-E81 VanDerWaalsContact NE2-CD 3.33Å; H23-E81 WeakPolarHBondContact NE2-CG 3.2Å; H23-E81 IonicContact NE2-OE1 2.72Å; H23-E81 PolarHBondContact NE2-OE1 3.27Å; H23-M85 HydrophobicContact CB-CE 3.82Å; H23-M85 HydrophobicContact CB-SD 3.78Å
24V97.3Very high96.7Very high0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-60.7-44.3-172.6173.90000112.9Y19 E21 R26 Y27 H28 L47 E50 Y51 Q54Y19-V24 HydrophobicContact CE2-CG2 4.27Å; E21-V24 VanDerWaalsContact O-CB 3.29Å; E21-V24 WeakPolarHBondContact O-CB 3.17Å; E21-V24 WeakPolarHBondContact O-CG2 3.34Å; E21-V24 PolarHBondContact O-N 3.08Å; V24-R26 VanDerWaalsContact C-N 3.34Å; V24-R26 PolarHBondContact O-N 3.31Å; V24-Y27 PolarHBondContact O-N 3.28Å; V24-H28 VanDerWaalsContact O-CB 3.25Å; V24-H28 WeakPolarHBondContact O-CB 3.5Å; V24-H28 PolarHBondContact O-N 3.24Å; V24-L47 HydrophobicContact CG1-CD1 3.96Å; V24-E50 HydrophobicContact CG1-CB 3.7Å; V24-Y51 HydrophobicContact CB-CD1 3.8Å; V24-Y51 HydrophobicContact CB-CE1 3.52Å; V24-Y51 HydrophobicContact CB-CG 4.44Å; V24-Y51 HydrophobicContact CG1-CD1 3.72Å; V24-Y51 HydrophobicContact CG1-CD2 3.99Å; V24-Y51 HydrophobicContact CG1-CE1 3.71Å; V24-Y51 HydrophobicContact CG1-CE2 4Å; V24-Y51 HydrophobicContact CG1-CG 3.85Å; V24-Y51 HydrophobicContact CG2-CD1 3.76Å; V24-Y51 HydrophobicContact CG2-CE1 3.89Å; V24-Q54 HydrophobicContact CG2-CB 3.76Å; V24-Q54 HydrophobicContact CG2-CG 3.77Å
25P97.3Very high96.4Very high45 Ų4543.3 Ų43.329%0.29221%0.213SC..Hα-helixtrans-56.9-46.8178.3-25.735.5000112.5E22 H28 E29E22-P25 WeakPolarHBondContact O-CD 3.36Å; P25-H28 PolarHBondContact O-N 3.44Å; P25-E29 PolarHBondContact O-N 2.72Å
26R96.6Very high96.2Very high81 Ų8143.4 Ų43.431%0.30621%0.213SC..Hα-helixtrans-67.3-43.3178.9-176.759.9169.9164.92112.2H23 V24 H28 E29 W30 E82 M85 E110H23-R26 PolarHBondContact O-N 3.15Å; V24-R26 VanDerWaalsContact C-N 3.34Å; V24-R26 PolarHBondContact O-N 3.31Å; R26-H28 VanDerWaalsContact C-N 3.33Å; R26-H28 PolarHBondContact O-N 3.17Å; R26-E29 PolarHBondContact O-N 2.74Å; R26-W30 HydrophobicContact CG-CZ2 4.27Å; R26-W30 PolarHBondContact O-N 3.44Å; R26-E82 HydrophobicContact CB-CB 4.44Å; R26-M85 HydrophobicContact CB-CE 4Å; R26-M85 HydrophobicContact CB-SD 3.73Å; R26-M85 HydrophobicContact CG-CB 4.17Å; R26-M85 HydrophobicContact CG-CE 3.96Å; R26-M85 HydrophobicContact CG-SD 3.8Å; R26-E110 IonicContact CZ-OE1 2.87Å; R26-E110 IonicContact NH2-OE1 3.82Å; R26-E110 PolarHBondContact NH2-OE1 2.81Å; R26-E110 IonicContact NH2-OE2 2.79Å
27Y96.5Very high95.9Very high14 Ų1445.2 Ų45.26%0.05522%0.222CC..Hα-helixtrans-61.5-42.6177.4-164.1-81.9000111.5H23 V24 E29 W30 M31 I67 D88 M107H23-Y27 WeakPolarHBondContact O-CB 3.21Å; H23-Y27 PolarHBondContact O-N 3.12Å; V24-Y27 PolarHBondContact O-N 3.28Å; Y27-E29 VanDerWaalsContact C-N 3.31Å; Y27-E29 PolarHBondContact O-N 2.76Å; Y27-W30 AromaticContact CD2-CE3 3.93Å; Y27-W30 HydrophobicContact CD2-CE3 3.93Å; Y27-W30 HydrophobicContact CD2-CZ3 4.07Å; Y27-W30 HydrophobicContact CE2-CE3 4.48Å; Y27-W30 HydrophobicContact CG-CE3 4.37Å; Y27-W30 WeakPolarHBondContact O-CA 3.32Å; Y27-W30 WeakPolarHBondContact O-CB 3.33Å; Y27-W30 PolarHBondContact O-N 3.41Å; Y27-M31 HydrophobicContact CD1-CG 3.72Å; Y27-M31 HydrophobicContact CE1-CE 4.25Å; Y27-M31 HydrophobicContact CE1-CG 3.48Å; Y27-M31 VanDerWaalsContact CE1-CG 3.48Å; Y27-M31 HydrophobicContact CE1-SD 4.03Å; Y27-M31 PolarHBondContact O-N 3.24Å; Y27-I67 HydrophobicContact CD2-CD1 4.31Å; Y27-D88 HydrophobicContact CE2-CB 4.22Å; Y27-D88 WeakPolarHBondContact CE2-OD1 3.19Å; Y27-M107 HydrophobicContact CE2-CE 4.15Å
28H96.7Very high95.6Very high25 Ų2551.3 Ų51.312%0.11625%0.25CS..Hα-helixtrans-60.3-39.2176.2179.562.7000112.1V24 P25 R26 W30 M31 K32 L45 L47 E50V24-H28 VanDerWaalsContact O-CB 3.25Å; V24-H28 WeakPolarHBondContact O-CB 3.5Å; V24-H28 PolarHBondContact O-N 3.24Å; P25-H28 PolarHBondContact O-N 3.44Å; R26-H28 VanDerWaalsContact C-N 3.33Å; R26-H28 PolarHBondContact O-N 3.17Å; H28-W30 VanDerWaalsContact C-N 3.31Å; H28-W30 PolarHBondContact O-N 3.03Å; H28-M31 PolarHBondContact O-N 2.98Å; H28-K32 WeakPolarHBondContact NE2-CE 3.4Å; H28-K32 PolarHBondContact O-N 2.89Å; H28-L45 PolarHBondContact CE1-O 3.2Å; H28-L47 HydrophobicContact CB-CD1 3.84Å; H28-E50 HydrophobicContact CB-CG 4.22Å
29E96.7Very high95.2Very high99 Ų9954.2 Ų54.246%0.46327%0.265SS..Hα-helixtrans-62.4-36.9173.4-67-51132.800112.5P25 R26 Y27 K32P25-E29 PolarHBondContact O-N 2.72Å; R26-E29 PolarHBondContact O-N 2.74Å; Y27-E29 VanDerWaalsContact C-N 3.31Å; Y27-E29 PolarHBondContact O-N 2.76Å; E29-K32 PolarHBondContact O-N 2.93Å; E29-K32 IonicContact OE1-NZ 2.62Å; E29-K32 PolarHBondContact OE1-NZ 3.42Å; E29-K32 WeakPolarHBondContact OE2-CD 3.46Å; E29-K32 IonicContact OE2-NZ 2.92Å; E29-K32 PolarHBondContact OE2-NZ 3.44Å
30W96.2Very high94.8Very high13 Ų1355.2 Ų55.25%0.04927%0.273CS..Hα-helixtrans-64.8-43.8172.9-64.5-28.9000111.8R26 Y27 H28 K32 S33 L36 M85 M107 A109 E110R26-W30 HydrophobicContact CG-CZ2 4.27Å; R26-W30 PolarHBondContact O-N 3.44Å; Y27-W30 AromaticContact CD2-CE3 3.93Å; Y27-W30 HydrophobicContact CD2-CE3 3.93Å; Y27-W30 HydrophobicContact CD2-CZ3 4.07Å; Y27-W30 HydrophobicContact CE2-CE3 4.48Å; Y27-W30 HydrophobicContact CG-CE3 4.37Å; Y27-W30 WeakPolarHBondContact O-CA 3.32Å; Y27-W30 WeakPolarHBondContact O-CB 3.33Å; Y27-W30 PolarHBondContact O-N 3.41Å; H28-W30 VanDerWaalsContact C-N 3.31Å; H28-W30 PolarHBondContact O-N 3.03Å; W30-K32 PolarHBondContact O-N 3.02Å; W30-S33 VanDerWaalsContact O-CB 3.32Å; W30-S33 WeakPolarHBondContact O-CB 3.38Å; W30-S33 PolarHBondContact O-N 3.2Å; W30-L36 HydrophobicContact CB-CD1 3.8Å; W30-L36 HydrophobicContact CG-CD1 4.43Å; W30-L36 WeakPolarHBondContact O-CD1 3.35Å; W30-M85 HydrophobicContact CH2-CB 3.59Å; W30-M85 HydrophobicContact CH2-CE 3.75Å; W30-M85 HydrophobicContact CZ2-CB 3.85Å; W30-M85 WeakPolarHBondContact CZ2-O 3.43Å; W30-M85 HydrophobicContact CZ3-CE 3.71Å; W30-M107 HydrophobicContact CE3-CE 4.12Å; W30-A109 HydrophobicContact CB-CB 4.26Å; W30-A109 HydrophobicContact CD2-CB 3.31Å; W30-A109 VanDerWaalsContact CE2-CB 3.46Å; W30-A109 HydrophobicContact CE3-CB 3.62Å; W30-A109 HydrophobicContact CG-CB 3.64Å; W30-A109 HydrophobicContact CH2-CB 4.09Å; W30-A109 HydrophobicContact CZ2-CB 3.87Å; W30-A109 HydrophobicContact CZ3-CB 4Å; W30-E110 HydrophobicContact CZ2-CG 4.28Å; W30-E110 PolarHBondContact NE1-OE1 3.49Å
31M95.4Very high94.4Very high9 Ų958.8 Ų58.84%0.04431%0.305CS..THydrogen-bonded Turntrans-69.7-0.1-180-67.1-57.9103.100114Y27 H28 L36 Q37 M107Y27-M31 HydrophobicContact CD1-CG 3.72Å; Y27-M31 HydrophobicContact CE1-CE 4.25Å; Y27-M31 HydrophobicContact CE1-CG 3.48Å; Y27-M31 VanDerWaalsContact CE1-CG 3.48Å; Y27-M31 HydrophobicContact CE1-SD 4.03Å; Y27-M31 PolarHBondContact O-N 3.24Å; H28-M31 PolarHBondContact O-N 2.98Å; M31-L36 HydrophobicContact CE-CB 4.24Å; M31-Q37 PolarHBondContact O-NE2 2.91Å; M31-M107 HydrophobicContact CE-CE 3.57Å; M31-M107 HydrophobicContact CE-SD 3.65Å
32K95.1Very high94.1Very high107 Ų10754.8 Ų54.847%0.46529%0.291SS..THydrogen-bonded Turntrans-82.2-14.6165.6-68.1173.3-171.8172.10113.6H28 E29 W30 P34H28-K32 WeakPolarHBondContact NE2-CE 3.4Å; H28-K32 PolarHBondContact O-N 2.89Å; E29-K32 PolarHBondContact O-N 2.93Å; E29-K32 IonicContact OE1-NZ 2.62Å; E29-K32 PolarHBondContact OE1-NZ 3.42Å; E29-K32 WeakPolarHBondContact OE2-CD 3.46Å; E29-K32 IonicContact OE2-NZ 2.92Å; E29-K32 PolarHBondContact OE2-NZ 3.44Å; W30-K32 PolarHBondContact O-N 3.02Å; K32-P34 WeakPolarHBondContact O-CD 3.42Å
33S96.4Very high93.8Very high37 Ų3756.3 Ų56.326%0.25930%0.298SS..  trans-77.5120.2-179.6178.40000110.9W30 E35 L36 Q37W30-S33 VanDerWaalsContact O-CB 3.32Å; W30-S33 WeakPolarHBondContact O-CB 3.38Å; W30-S33 PolarHBondContact O-N 3.2Å; S33-E35 PolarHBondContact O-N 3.38Å; S33-E35 PolarHBondContact OG-N 2.87Å; S33-L36 PolarHBondContact O-N 3.23Å; S33-L36 VanDerWaalsContact O-N 3.13Å; S33-Q37 WeakPolarHBondContact O-CG 3.41Å; S33-Q37 PolarHBondContact O-N 3.22Å
34P94.6Very high93.5Very high95 Ų9560 Ų6062%0.61732%0.322SS*.Hα-helixtrans-61.2-31.3175.9-23.634.7000113K32 Q38K32-P34 WeakPolarHBondContact O-CD 3.42Å; P34-Q38 WeakPolarHBondContact O-CB 3.37Å; P34-Q38 PolarHBondContact O-N 2.87Å
35E93.7Very high93.3Very high93 Ų9362.4 Ų62.444%0.43533%0.334SS..Hα-helixtrans-63.5-46.3175.7-174.4-160174.700110.7S33 Q38 L39 R114S33-E35 PolarHBondContact O-N 3.38Å; S33-E35 PolarHBondContact OG-N 2.87Å; E35-Q38 PolarHBondContact O-N 3.43Å; E35-L39 HydrophobicContact CG-CD1 3.99Å; E35-L39 WeakPolarHBondContact O-CB 3.48Å; E35-L39 VanDerWaalsContact O-CG 3.22Å; E35-L39 WeakPolarHBondContact O-CG 3.38Å; E35-L39 PolarHBondContact O-N 2.9Å; E35-R114 IonicContact OE1-CZ 2.81Å; E35-R114 IonicContact OE1-NH1 3.95Å; E35-R114 PolarHBondContact OE1-NH1 2.89Å; E35-R114 IonicContact OE2-NH1 3.13Å; E35-R114 IonicContact OE2-NH2 2.73Å
36L93.8Very high93.3Very high7 Ų763 Ų634%0.03734%0.34CS..Hα-helixtrans-67.2-46.9-179.8-69.5178.9000110.8W30 M31 S33 Q38 L39 T40 M107 A109W30-L36 HydrophobicContact CB-CD1 3.8Å; W30-L36 HydrophobicContact CG-CD1 4.43Å; W30-L36 WeakPolarHBondContact O-CD1 3.35Å; M31-L36 HydrophobicContact CE-CB 4.24Å; S33-L36 PolarHBondContact O-N 3.23Å; S33-L36 VanDerWaalsContact O-N 3.13Å; L36-Q38 VanDerWaalsContact C-N 3.27Å; L36-Q38 PolarHBondContact O-N 2.97Å; L36-L39 PolarHBondContact O-N 2.73Å; L36-T40 PolarHBondContact O-N 2.86Å; L36-T40 PolarHBondContact O-OG1 2.7Å; L36-M107 HydrophobicContact CB-SD 4.44Å; L36-M107 HydrophobicContact CD1-SD 4.39Å; L36-M107 HydrophobicContact CD2-CG 4.36Å; L36-M107 HydrophobicContact CD2-SD 3.92Å; L36-M107 HydrophobicContact CG-SD 4.49Å; L36-A109 HydrophobicContact CD1-CB 4.11Å
37Q93.1Very high93.3Very high39 Ų3962.5 Ų62.518%0.18234%0.343CS..Hα-helixtrans-52.2-45.4174.7-72.5171.85.200112.3M31 S33 A41 S42M31-Q37 PolarHBondContact O-NE2 2.91Å; S33-Q37 WeakPolarHBondContact O-CG 3.41Å; S33-Q37 PolarHBondContact O-N 3.22Å; Q37-A41 CarbonylContact O-C 3.57Å; Q37-A41 VanDerWaalsContact O-CA 3.32Å; Q37-A41 WeakPolarHBondContact O-CA 3.43Å; Q37-A41 PolarHBondContact O-N 3.04Å; Q37-S42 WeakPolarHBondContact CB-O 3.06Å; Q37-S42 PolarHBondContact O-N 3.08Å
38Q91.1Very high93.3Very high127 Ų12767.6 Ų67.659%0.59337%0.367SS*.Hα-helixtrans-64.2-45.4176.6-179.7178.6-14.100111.9P34 E35 L36 T40 A41 D146P34-Q38 WeakPolarHBondContact O-CB 3.37Å; P34-Q38 PolarHBondContact O-N 2.87Å; E35-Q38 PolarHBondContact O-N 3.43Å; L36-Q38 VanDerWaalsContact C-N 3.27Å; L36-Q38 PolarHBondContact O-N 2.97Å; Q38-T40 VanDerWaalsContact C-N 3.32Å; Q38-T40 PolarHBondContact O-N 3.32Å; Q38-A41 PolarHBondContact O-N 3.25Å; Q38-D146 PolarHBondContact NE2-OD2 2.82Å
39L89Confident93.3Very high65 Ų6570.8 Ų70.834%0.3438%0.382SS..Hα-helixtrans-70.1-27.2-176.9-69.8172.7000113.5E35 L36 N147E35-L39 HydrophobicContact CG-CD1 3.99Å; E35-L39 WeakPolarHBondContact O-CB 3.48Å; E35-L39 VanDerWaalsContact O-CG 3.22Å; E35-L39 WeakPolarHBondContact O-CG 3.38Å; E35-L39 PolarHBondContact O-N 2.9Å; L36-L39 PolarHBondContact O-N 2.73Å; L39-N147 HydrophobicContact CD2-CB 4.01Å
40T88.5Confident93.2Very high38 Ų3866.2 Ų66.223%0.23336%0.361CS..THydrogen-bonded Turntrans-103.96.1178.562.90000113.2L36 Q38 S42 M107L36-T40 PolarHBondContact O-N 2.86Å; L36-T40 PolarHBondContact O-OG1 2.7Å; Q38-T40 VanDerWaalsContact C-N 3.32Å; Q38-T40 PolarHBondContact O-N 3.32Å; T40-S42 WeakPolarHBondContact CB-OG 3.12Å; T40-S42 PolarHBondContact O-N 3.29Å; T40-S42 VanDerWaalsContact O-N 3.09Å; T40-S42 PolarHBondContact O-OG 3.44Å; T40-S42 VanDerWaalsContact O-OG 3.1Å; T40-S42 WeakPolarHBondContact OG1-CB 3.06Å; T40-S42 PolarHBondContact OG1-OG 3.47Å; T40-M107 HydrophobicContact CG2-CB 4.31Å; T40-M107 HydrophobicContact CG2-CG 4.1Å; T40-M107 HydrophobicContact CG2-SD 3.62Å
41A87.5Confident93.3Very high91 Ų9168.4 Ų68.475%0.75237%0.369SS*.THydrogen-bonded Turntrans47.138-17400000113.3Q37 Q38Q37-A41 CarbonylContact O-C 3.57Å; Q37-A41 VanDerWaalsContact O-CA 3.32Å; Q37-A41 WeakPolarHBondContact O-CA 3.43Å; Q37-A41 PolarHBondContact O-N 3.04Å; Q38-A41 PolarHBondContact O-N 3.25Å
42S88.3Confident93.3Very high41 Ų4172.3 Ų72.329%0.28739%0.391SS..PPolyproline II helixtrans-102.2144.6-174.7-570000111.7Q37 T40Q37-S42 WeakPolarHBondContact CB-O 3.06Å; Q37-S42 PolarHBondContact O-N 3.08Å; T40-S42 WeakPolarHBondContact CB-OG 3.12Å; T40-S42 PolarHBondContact O-N 3.29Å; T40-S42 VanDerWaalsContact O-N 3.09Å; T40-S42 PolarHBondContact O-OG 3.44Å; T40-S42 VanDerWaalsContact O-OG 3.1Å; T40-S42 WeakPolarHBondContact OG1-CB 3.06Å; T40-S42 PolarHBondContact OG1-OG 3.47Å
43E88.2Confident93.2Very high156 Ų15669.8 Ų69.873%0.72938%0.381SS*.PPolyproline II helixtrans-94.4148173.6-67.4-64.8149.900110.6L45E43-L45 PolarHBondContact O-N 2.86Å
44P91.1Very high93.1Very high79 Ų7968.5 Ų68.551%0.51337%0.371SS..PPolyproline II helixtrans-64.8130.2176.825.8-32.9000111.2
45L94Very high93.1Very high49 Ų4969.7 Ų69.726%0.25737%0.366SS..  trans-110.8153.3173.5-63.6-178.1000110.7H28 E43 Q49 E50 M53H28-L45 PolarHBondContact CE1-O 3.2Å; E43-L45 PolarHBondContact O-N 2.86Å; L45-Q49 HydrophobicContact CB-CB 3.91Å; L45-Q49 HydrophobicContact CD1-CB 4.39Å; L45-Q49 HydrophobicContact CD2-CB 4.27Å; L45-Q49 HydrophobicContact CG-CB 4.42Å; L45-E50 HydrophobicContact CB-CG 4.02Å; L45-M53 HydrophobicContact CD1-CE 3.36Å; L45-M53 HydrophobicContact CD1-SD 3.77Å
46S96.3Very high93.1Very high58 Ų5867.4 Ų67.441%0.40636%0.361SS..  trans-68.8156.5164.165.50000110.3Q48 Q49 E50S46-Q48 PolarHBondContact O-N 3.07Å; S46-Q49 WeakPolarHBondContact O-CA 2.94Å; S46-Q49 WeakPolarHBondContact O-CB 3.19Å; S46-Q49 PolarHBondContact O-N 3.32Å; S46-Q49 VanDerWaalsContact OG-CD 3.3Å; S46-Q49 VanDerWaalsContact OG-CG 3.3Å; S46-Q49 WeakPolarHBondContact OG-CG 3.18Å; S46-Q49 PolarHBondContact OG-N 3Å; S46-Q49 PolarHBondContact OG-OE1 2.93Å; S46-E50 PolarHBondContact O-N 3.31Å
47L96.3Very high92.9Very high71 Ų7169.2 Ų69.237%0.37237%0.367SS..Hα-helixtrans-53.9-39.2178.5-179.563000112.8V24 H28 E50 Y51V24-L47 HydrophobicContact CG1-CD1 3.96Å; H28-L47 HydrophobicContact CB-CD1 3.84Å; L47-E50 WeakPolarHBondContact O-CB 3.3Å; L47-E50 PolarHBondContact O-N 3.23Å; L47-Y51 HydrophobicContact CD1-CD2 4.34Å; L47-Y51 HydrophobicContact CD1-CE2 3.84Å; L47-Y51 HydrophobicContact CD2-CE2 4.23Å; L47-Y51 HydrophobicContact CG-CD2 4.12Å; L47-Y51 HydrophobicContact CG-CE2 3.72Å; L47-Y51 WeakPolarHBondContact O-CD2 3.21Å; L47-Y51 PolarHBondContact O-N 2.82Å; L47-Y51 VanDerWaalsContact O-N 3.14Å
48Q96.6Very high92.8Very high120 Ų12071.3 Ų71.356%0.56137%0.374SS*.Hα-helixtrans-65.3-39.6176.6-17459.155.700112.2S46 E50 Y51 D52S46-Q48 PolarHBondContact O-N 3.07Å; Q48-E50 VanDerWaalsContact C-N 3.3Å; Q48-E50 PolarHBondContact O-N 2.72Å; Q48-Y51 WeakPolarHBondContact O-CB 3.46Å; Q48-Y51 PolarHBondContact O-N 2.81Å; Q48-D52 PolarHBondContact NE2-OD1 3.2Å; Q48-D52 VanDerWaalsContact O-CG 3.26Å; Q48-D52 PolarHBondContact O-N 2.56Å
49Q96.6Very high92.7Very high93 Ų9370.5 Ų70.544%0.43537%0.37SS..Hα-helixtrans-66.4-32.8176.1-73.8166.7-51.900111.9L45 S46 D52 M53L45-Q49 HydrophobicContact CB-CB 3.91Å; L45-Q49 HydrophobicContact CD1-CB 4.39Å; L45-Q49 HydrophobicContact CD2-CB 4.27Å; L45-Q49 HydrophobicContact CG-CB 4.42Å; S46-Q49 WeakPolarHBondContact O-CA 2.94Å; S46-Q49 WeakPolarHBondContact O-CB 3.19Å; S46-Q49 PolarHBondContact O-N 3.32Å; S46-Q49 VanDerWaalsContact OG-CD 3.3Å; S46-Q49 VanDerWaalsContact OG-CG 3.3Å; S46-Q49 WeakPolarHBondContact OG-CG 3.18Å; S46-Q49 PolarHBondContact OG-N 3Å; S46-Q49 PolarHBondContact OG-OE1 2.93Å; Q49-D52 PolarHBondContact O-N 3.09Å; Q49-M53 VanDerWaalsContact O-CB 3.3Å; Q49-M53 WeakPolarHBondContact O-CB 3.25Å; Q49-M53 PolarHBondContact O-N 3.46Å
50E96.3Very high92.7Very high3 Ų369.9 Ų69.91%0.01437%0.367CS..Hα-helixtrans-64.7-41.7172.6-66.7-73.3-174.200111.7V24 H28 L45 S46 L47 Q48 M53 Q54V24-E50 HydrophobicContact CG1-CB 3.7Å; H28-E50 HydrophobicContact CB-CG 4.22Å; L45-E50 HydrophobicContact CB-CG 4.02Å; S46-E50 PolarHBondContact O-N 3.31Å; L47-E50 WeakPolarHBondContact O-CB 3.3Å; L47-E50 PolarHBondContact O-N 3.23Å; Q48-E50 VanDerWaalsContact C-N 3.3Å; Q48-E50 PolarHBondContact O-N 2.72Å; E50-M53 PolarHBondContact O-N 2.93Å; E50-M53 VanDerWaalsContact OE2-CE 3.3Å; E50-M53 WeakPolarHBondContact OE2-CE 3.48Å; E50-Q54 VanDerWaalsContact O-CB 3.31Å; E50-Q54 WeakPolarHBondContact O-CB 3.29Å; E50-Q54 PolarHBondContact O-N 3.32Å
51Y97Very high92.7Very high58 Ų5874.7 Ų74.723%0.22739%0.391CS..Hα-helixtrans-60.7-45.6172.7-78.5-66.1000112E21 V24 L47 Q48 M53 Q54 K55E21-Y51 HydrophobicContact CG-CD1 3.68Å; E21-Y51 HydrophobicContact CG-CE1 3.44Å; E21-Y51 VanDerWaalsContact CG-CE1 3.44Å; V24-Y51 HydrophobicContact CB-CD1 3.8Å; V24-Y51 HydrophobicContact CB-CE1 3.52Å; V24-Y51 HydrophobicContact CB-CG 4.44Å; V24-Y51 HydrophobicContact CG1-CD1 3.72Å; V24-Y51 HydrophobicContact CG1-CD2 3.99Å; V24-Y51 HydrophobicContact CG1-CE1 3.71Å; V24-Y51 HydrophobicContact CG1-CE2 4Å; V24-Y51 HydrophobicContact CG1-CG 3.85Å; V24-Y51 HydrophobicContact CG2-CD1 3.76Å; V24-Y51 HydrophobicContact CG2-CE1 3.89Å; L47-Y51 HydrophobicContact CD1-CD2 4.34Å; L47-Y51 HydrophobicContact CD1-CE2 3.84Å; L47-Y51 HydrophobicContact CD2-CE2 4.23Å; L47-Y51 HydrophobicContact CG-CD2 4.12Å; L47-Y51 HydrophobicContact CG-CE2 3.72Å; L47-Y51 WeakPolarHBondContact O-CD2 3.21Å; L47-Y51 PolarHBondContact O-N 2.82Å; L47-Y51 VanDerWaalsContact O-N 3.14Å; Q48-Y51 WeakPolarHBondContact O-CB 3.46Å; Q48-Y51 PolarHBondContact O-N 2.81Å; Y51-M53 VanDerWaalsContact C-N 3.31Å; Y51-M53 PolarHBondContact O-N 2.93Å; Y51-Q54 PolarHBondContact O-N 2.78Å; Y51-K55 WeakPolarHBondContact O-CB 3.4Å; Y51-K55 PolarHBondContact O-N 2.73Å
52D96Very high92.9Very high92 Ų9273.6 Ų73.649%0.49237%0.373SS..Hα-helixtrans-63.4-40.5178.4-63.2-22.3000111Q48 Q49 K55 S56Q48-D52 PolarHBondContact NE2-OD1 3.2Å; Q48-D52 VanDerWaalsContact O-CG 3.26Å; Q48-D52 PolarHBondContact O-N 2.56Å; Q49-D52 PolarHBondContact O-N 3.09Å; D52-K55 PolarHBondContact O-N 2.75Å; D52-S56 PolarHBondContact O-N 2.95Å
53M93.3Very high93.2Very high54 Ų5473.9 Ų73.927%0.26637%0.369SS..Hα-helixtrans-67-46.9177.4-172.9160.869.200111.7L45 Q49 E50 Y51 K55 S56 W57L45-M53 HydrophobicContact CD1-CE 3.36Å; L45-M53 HydrophobicContact CD1-SD 3.77Å; Q49-M53 VanDerWaalsContact O-CB 3.3Å; Q49-M53 WeakPolarHBondContact O-CB 3.25Å; Q49-M53 PolarHBondContact O-N 3.46Å; E50-M53 PolarHBondContact O-N 2.93Å; E50-M53 VanDerWaalsContact OE2-CE 3.3Å; E50-M53 WeakPolarHBondContact OE2-CE 3.48Å; Y51-M53 VanDerWaalsContact C-N 3.31Å; Y51-M53 PolarHBondContact O-N 2.93Å; M53-K55 VanDerWaalsContact C-N 3.29Å; M53-K55 PolarHBondContact O-N 2.85Å; M53-S56 PolarHBondContact O-N 3.37Å; M53-S56 VanDerWaalsContact O-N 3.13Å; M53-S56 PolarHBondContact O-OG 3.02Å; M53-W57 HydrophobicContact CE-CZ2 4.41Å; M53-W57 HydrophobicContact CG-CD2 4.47Å; M53-W57 HydrophobicContact CG-CZ2 4.23Å; M53-W57 VanDerWaalsContact O-CD1 3.26Å; M53-W57 PolarHBondContact O-N 2.92Å; M53-W57 HydrophobicContact SD-CZ2 4Å
54Q95Very high93.6Very high9 Ų966.4 Ų66.44%0.04233%0.334CS..Hα-helixtrans-55.3-46.4175.7-177.3-80.1-32.100111Y19 V24 E50 Y51 S56 W57 R58Y19-Q54 HydrophobicContact CD1-CB 4.46Å; Y19-Q54 HydrophobicContact CD1-CG 3.75Å; Y19-Q54 HydrophobicContact CD2-CG 4.1Å; Y19-Q54 HydrophobicContact CE1-CB 3.72Å; Y19-Q54 HydrophobicContact CE1-CG 3.41Å; Y19-Q54 VanDerWaalsContact CE1-CG 3.41Å; Y19-Q54 HydrophobicContact CE2-CG 3.78Å; Y19-Q54 HydrophobicContact CG-CG 4.09Å; Y19-Q54 VanDerWaalsContact CZ-CG 3.42Å; Y19-Q54 PolarHBondContact O-NE2 3.49Å; V24-Q54 HydrophobicContact CG2-CB 3.76Å; V24-Q54 HydrophobicContact CG2-CG 3.77Å; E50-Q54 VanDerWaalsContact O-CB 3.31Å; E50-Q54 WeakPolarHBondContact O-CB 3.29Å; E50-Q54 PolarHBondContact O-N 3.32Å; Y51-Q54 PolarHBondContact O-N 2.78Å; Q54-S56 PolarHBondContact O-N 2.78Å; Q54-W57 PolarHBondContact O-N 3.38Å; Q54-R58 WeakPolarHBondContact O-CB 3.47Å; Q54-R58 PolarHBondContact O-N 3.28Å
55K94.1Very high93.9Very high120 Ų12063.1 Ų63.152%0.52231%0.312SS..Hα-helixtrans-61.2-45.3177.8-173.5177.1178.7-178.40111.5Y51 D52 M53 W57 R58 E59Y51-K55 WeakPolarHBondContact O-CB 3.4Å; Y51-K55 PolarHBondContact O-N 2.73Å; D52-K55 PolarHBondContact O-N 2.75Å; M53-K55 VanDerWaalsContact C-N 3.29Å; M53-K55 PolarHBondContact O-N 2.85Å; K55-W57 PolarHBondContact O-N 3.32Å; K55-R58 PolarHBondContact O-N 3.25Å; K55-E59 WeakPolarHBondContact CE-OE1 3.41Å; K55-E59 WeakPolarHBondContact O-CG 3.48Å; K55-E59 PolarHBondContact O-N 3.37Å
56S92.9Very high94.1Very high46 Ų4660.8 Ų60.832%0.32230%0.3SS..Hα-helixtrans-60.1-45.3177.7750000111.9D52 M53 Q54 R58 E59 D60D52-S56 PolarHBondContact O-N 2.95Å; M53-S56 PolarHBondContact O-N 3.37Å; M53-S56 VanDerWaalsContact O-N 3.13Å; M53-S56 PolarHBondContact O-OG 3.02Å; Q54-S56 PolarHBondContact O-N 2.78Å; S56-R58 VanDerWaalsContact C-N 3.31Å; S56-R58 PolarHBondContact O-N 3.5Å; S56-E59 PolarHBondContact O-N 3.49Å; S56-D60 WeakPolarHBondContact O-CB 3.47Å; S56-D60 PolarHBondContact O-N 2.92Å
57W90.8Very high94.2Very high44 Ų4458 Ų5817%0.16728%0.281CS..Hα-helixtrans-66.4-35.1180-71.720.7000112.3M1 M53 Q54 K55 K63 F92M1-W57 PolarHBondContact N-O 3.19Å; M53-W57 HydrophobicContact CE-CZ2 4.41Å; M53-W57 HydrophobicContact CG-CD2 4.47Å; M53-W57 HydrophobicContact CG-CZ2 4.23Å; M53-W57 VanDerWaalsContact O-CD1 3.26Å; M53-W57 PolarHBondContact O-N 2.92Å; M53-W57 HydrophobicContact SD-CZ2 4Å; Q54-W57 PolarHBondContact O-N 3.38Å; K55-W57 PolarHBondContact O-N 3.32Å; W57-K63 HydrophobicContact CB-CD 4.35Å; W57-K63 HydrophobicContact CD2-CD 4.38Å; W57-K63 HydrophobicContact CG-CD 3.91Å; W57-F92 HydrophobicContact CH2-CZ 4.32Å; W57-F92 HydrophobicContact CZ3-CZ 4.47Å
58R88.9Confident94.3Very high84 Ų8454.7 Ų54.732%0.31726%0.263SS..Hα-helixtrans-65.4-41.2175.2-171.6175.5-171161.216.8111.6M1 N20 Q54 K55 S56M1-R58 CarbonylContact C-O 3.55Å; M1-R58 WeakPolarHBondContact CA-O 3.45Å; M1-R58 PolarHBondContact N-O 3.47Å; N20-R58 PolarHBondContact OD1-NH1 3.18Å; N20-R58 VanDerWaalsContact OD1-NH1 3.12Å; N20-R58 PolarHBondContact OD1-NH2 2.99Å; Q54-R58 WeakPolarHBondContact O-CB 3.47Å; Q54-R58 PolarHBondContact O-N 3.28Å; K55-R58 PolarHBondContact O-N 3.25Å; S56-R58 VanDerWaalsContact C-N 3.31Å; S56-R58 PolarHBondContact O-N 3.5Å
59E89.3Confident94.4Very high109 Ų10949 Ų4951%0.50924%0.236SC..Hα-helixtrans-80.3-26.2-177.7-68.1177177.500113.3K55 S56K55-E59 WeakPolarHBondContact CE-OE1 3.41Å; K55-E59 WeakPolarHBondContact O-CG 3.48Å; K55-E59 PolarHBondContact O-N 3.37Å; S56-E59 PolarHBondContact O-N 3.49Å
60D90.1Very high94.5Very high53 Ų5345.5 Ų45.528%0.28322%0.221SC..  trans-65132.9-178.8-85.1-15.4000113M1 S56 D62 K63M1-D60 WeakPolarHBondContact CA-O 3.46Å; M1-D60 VanDerWaalsContact CG-O 3.22Å; M1-D60 WeakPolarHBondContact CG-O 3.47Å; M1-D60 PolarHBondContact N-O 3.49Å; S56-D60 WeakPolarHBondContact O-CB 3.47Å; S56-D60 PolarHBondContact O-N 2.92Å; D60-D62 VanDerWaalsContact C-N 3.29Å; D60-D62 WeakPolarHBondContact CB-OD1 3.49Å; D60-D62 PolarHBondContact O-N 3.31Å; D60-K63 HydrophobicContact CB-CB 4.24Å; D60-K63 HydrophobicContact CB-CD 4.12Å; D60-K63 HydrophobicContact CB-CG 3.9Å; D60-K63 WeakPolarHBondContact OD2-CD 3.4Å; D60-K63 VanDerWaalsContact OD2-CE 3.3Å; D60-K63 WeakPolarHBondContact OD2-CE 3.28Å; D60-K63 IonicContact OD2-NZ 3.98Å; D60-K63 PolarHBondContact OD2-NZ 3.04Å
61N88.5Confident94.5Very high139 Ų13947.6 Ų47.674%0.74323%0.23SC*.THydrogen-bonded Turntrans-83.1-4.5-178.1-70.3-44.8000114M1M1-N61 WeakPolarHBondContact CE-O 3.43Å; M1-N61 VanDerWaalsContact CG-C 3.45Å; M1-N61 WeakPolarHBondContact CG-O 3.42Å
62D91.3Very high94.4Very high68 Ų6852.8 Ų52.836%0.36426%0.256SS..THydrogen-bonded Turntrans-113.41-177.960.6-10.9000112.9D60 F92 L93D60-D62 VanDerWaalsContact C-N 3.29Å; D60-D62 WeakPolarHBondContact CB-OD1 3.49Å; D60-D62 PolarHBondContact O-N 3.31Å; D62-F92 CarbonylContact O-C 3.54Å; D62-F92 WeakPolarHBondContact O-CA 3.38Å; D62-L93 HydrophobicContact CB-CB 4.06Å; D62-L93 PolarHBondContact O-N 3.25Å
63K93.8Very high94.4Very high46 Ų4654.3 Ų54.320%0.226%0.255CS..EExtended strand (participates in β ladder)trans-119.6121.2177.7-48-170.8177.2144.20112.6M1 W57 D60 I91 F92M1-K63 WeakPolarHBondContact CA-O 3.29Å; M1-K63 WeakPolarHBondContact CB-O 3.38Å; M1-K63 WeakPolarHBondContact CG-O 3.16Å; M1-K63 PolarHBondContact N-O 3.32Å; W57-K63 HydrophobicContact CB-CD 4.35Å; W57-K63 HydrophobicContact CD2-CD 4.38Å; W57-K63 HydrophobicContact CG-CD 3.91Å; D60-K63 HydrophobicContact CB-CB 4.24Å; D60-K63 HydrophobicContact CB-CD 4.12Å; D60-K63 HydrophobicContact CB-CG 3.9Å; D60-K63 WeakPolarHBondContact OD2-CD 3.4Å; D60-K63 VanDerWaalsContact OD2-CE 3.3Å; D60-K63 WeakPolarHBondContact OD2-CE 3.28Å; D60-K63 IonicContact OD2-NZ 3.98Å; D60-K63 PolarHBondContact OD2-NZ 3.04Å; K63-I91 WeakPolarHBondContact CA-O 3.45Å; K63-F92 HydrophobicContact CB-CD1 4.18Å; K63-F92 HydrophobicContact CB-CE1 4.31Å; K63-F92 HydrophobicContact CD-CD1 4.09Å; K63-F92 HydrophobicContact CD-CE1 3.98Å; K63-F92 HydrophobicContact CG-CD1 3.82Å; K63-F92 HydrophobicContact CG-CE1 4.12Å
64C96.8Very high94.5Very high0 Ų052.7 Ų52.70%025%0.246CC..EExtended strand (participates in β ladder)trans-117.8107.9173.8-172.30000109.8M1 N90 I91 M126 L134M1-C64 HydrophobicContact CE-CB 4.45Å; M1-C64 HydrophobicContact SD-CB 3.75Å; C64-N90 CarbonylContact O-C 3.59Å; C64-N90 WeakPolarHBondContact O-CA 3.48Å; C64-I91 HydrophobicContact CB-CB 4.29Å; C64-I91 PolarHBondContact N-O 3.13Å; C64-I91 PolarHBondContact O-N 3.33Å; C64-M126 HydrophobicContact CB-CE 4.2Å; C64-M126 WeakPolarHBondContact O-CE 3.33Å; C64-L134 HydrophobicContact CB-CD1 3.96Å
65T97.1Very high94.4Very high10 Ų1057.4 Ų57.46%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-114134.3-178.5-56.10000110.9N4 Y19 V89 N90N4-T65 PolarHBondContact ND2-O 2.85Å; Y19-T65 HydrophobicContact CD1-CG2 3.98Å; Y19-T65 HydrophobicContact CG-CG2 4.18Å; T65-V89 WeakPolarHBondContact CA-O 3.31Å; T65-N90 VanDerWaalsContact CB-OD1 3.25Å; T65-N90 WeakPolarHBondContact CB-OD1 3.3Å; T65-N90 WeakPolarHBondContact CG2-OD1 3.32Å; T65-N90 PolarHBondContact OG1-OD1 2.94Å
66F98.6Very high94.3Very high0 Ų055.8 Ų55.80%027%0.272CS..EExtended strand (participates in β ladder)trans-119.7143.5164.6-70.4-91000110.8N4 T7 L9 L16 V17 D88 V89 M126 Y129N4-F66 HydrophobicContact CB-CE1 3.94Å; N4-F66 HydrophobicContact CB-CE2 4.01Å; N4-F66 HydrophobicContact CB-CZ 3.44Å; N4-F66 VanDerWaalsContact CB-CZ 3.44Å; T7-F66 HydrophobicContact CG2-CE1 4.2Å; T7-F66 HydrophobicContact CG2-CZ 4.16Å; L9-F66 HydrophobicContact CD1-CZ 4.28Å; L16-F66 HydrophobicContact CB-CB 3.84Å; L16-F66 HydrophobicContact CB-CD1 3.84Å; L16-F66 HydrophobicContact CB-CG 3.92Å; V17-F66 CarbonylContact O-C 3.57Å; V17-F66 WeakPolarHBondContact O-CA 3.42Å; V17-F66 WeakPolarHBondContact O-CB 3.26Å; V17-F66 WeakPolarHBondContact O-CD1 3.44Å; F66-D88 CarbonylContact O-C 3.46Å; F66-D88 VanDerWaalsContact O-CA 3.31Å; F66-D88 WeakPolarHBondContact O-CA 3.43Å; F66-D88 WeakPolarHBondContact O-CB 3.4Å; F66-V89 HydrophobicContact CB-CG1 3.89Å; F66-V89 PolarHBondContact N-O 3.11Å; F66-V89 PolarHBondContact O-N 3.32Å; F66-M126 HydrophobicContact CD2-CE 3.98Å; F66-M126 HydrophobicContact CD2-SD 3.65Å; F66-M126 HydrophobicContact CE2-CE 4.34Å; F66-M126 HydrophobicContact CE2-SD 3.97Å; F66-Y129 HydrophobicContact CE2-CD1 4.05Å; F66-Y129 HydrophobicContact CE2-CE1 4.06Å; F66-Y129 HydrophobicContact CE2-CG 4.31Å; F66-Y129 HydrophobicContact CZ-CD2 4.34Å; F66-Y129 HydrophobicContact CZ-CE1 4.3Å; F66-Y129 HydrophobicContact CZ-CE2 4.09Å
67I98.6Very high94.1Very high0 Ų055.4 Ų55.40%027%0.269CS..EExtended strand (participates in β ladder)trans-86.2139165.3-61.3-53.6000109L16 V17 Y19 H23 Y27 L69 M85 D88L16-I67 WeakPolarHBondContact CA-O 3.48Å; V17-I67 HydrophobicContact CG2-CB 3.91Å; V17-I67 HydrophobicContact CG2-CG2 4.42Å; V17-I67 PolarHBondContact N-O 2.97Å; V17-I67 PolarHBondContact O-N 3.48Å; Y19-I67 HydrophobicContact CD2-CD1 3.66Å; Y19-I67 HydrophobicContact CD2-CG1 3.71Å; Y19-I67 HydrophobicContact CE2-CD1 4.19Å; Y19-I67 HydrophobicContact CG-CD1 4.03Å; Y19-I67 HydrophobicContact CG-CG1 4.17Å; H23-I67 HydrophobicContact CB-CG1 4.25Å; H23-I67 WeakPolarHBondContact ND1-CG1 3.3Å; Y27-I67 HydrophobicContact CD2-CD1 4.31Å; I67-L69 HydrophobicContact CG2-CD2 3.86Å; I67-M85 HydrophobicContact CD1-CE 4.45Å; I67-M85 HydrophobicContact CG2-CB 4.32Å; I67-M85 HydrophobicContact CG2-CE 3.86Å; I67-M85 HydrophobicContact CG2-CG 3.74Å; I67-M85 HydrophobicContact CG2-SD 4.26Å; I67-D88 HydrophobicContact CD1-CB 3.85Å
68I98.8Very high94.2Very high0 Ų056 Ų560%029%0.288CS..EExtended strand (participates in β ladder)trans-94122.1178.3-50.9162.7000107.8V14 L15 L16 V86 G87 D88 I108 V122V14-I68 HydrophobicContact CB-CG2 3.84Å; V14-I68 HydrophobicContact CG1-CG2 3.73Å; V14-I68 HydrophobicContact CG2-CG2 4.41Å; L15-I68 WeakPolarHBondContact O-CA 3.46Å; L16-I68 HydrophobicContact CD2-CB 4.31Å; L16-I68 HydrophobicContact CD2-CG1 3.79Å; L16-I68 HydrophobicContact CD2-CG2 4.32Å; I68-V86 HydrophobicContact CB-CG2 3.94Å; I68-V86 HydrophobicContact CG2-CG2 3.52Å; I68-V86 WeakPolarHBondContact O-CG2 3.48Å; I68-V86 PolarHBondContact O-N 2.89Å; I68-G87 PolarHBondContact N-O 3.06Å; I68-D88 WeakPolarHBondContact CD1-O 3.27Å; I68-I108 HydrophobicContact CD1-CD1 3.72Å; I68-V122 HydrophobicContact CD1-CB 4.37Å; I68-V122 HydrophobicContact CD1-CG1 3.71Å; I68-V122 HydrophobicContact CD1-CG2 3.92Å; I68-V122 HydrophobicContact CG1-CG1 4Å; I68-V122 HydrophobicContact CG1-CG2 4.12Å; I68-V122 HydrophobicContact CG2-CG2 3.83Å
69L98.6Very high94.4Very high0 Ų053.2 Ų53.20%028%0.281CS..EExtended strand (participates in β ladder)trans-108.5145.8174.6-50.2-177.7000111.3V14 L15 V17 I67 K71 W74 E81 C84 M85V14-L69 CarbonylContact C-O 3.49Å; V14-L69 WeakPolarHBondContact CA-O 3.49Å; V14-L69 WeakPolarHBondContact CB-O 3.04Å; L15-L69 HydrophobicContact CB-CB 4.24Å; L15-L69 PolarHBondContact N-O 3.06Å; L15-L69 PolarHBondContact O-N 3.06Å; V17-L69 HydrophobicContact CB-CD1 4.38Å; V17-L69 HydrophobicContact CG1-CD1 3.69Å; V17-L69 HydrophobicContact CG1-CG 4.28Å; V17-L69 HydrophobicContact CG2-CD1 3.81Å; V17-L69 HydrophobicContact CG2-CD2 4.17Å; V17-L69 HydrophobicContact CG2-CG 3.83Å; I67-L69 HydrophobicContact CG2-CD2 3.86Å; L69-K71 PolarHBondContact O-N 3.27Å; L69-W74 HydrophobicContact CD1-CD2 4.1Å; L69-W74 HydrophobicContact CD1-CE3 3.5Å; L69-W74 HydrophobicContact CD1-CH2 4.32Å; L69-W74 HydrophobicContact CD1-CZ3 3.65Å; L69-E81 HydrophobicContact CD1-CG 3.92Å; L69-E81 HydrophobicContact CD2-CG 4.18Å; L69-C84 CarbonylContact C-O 3.58Å; L69-C84 VanDerWaalsContact CA-O 3.3Å; L69-C84 WeakPolarHBondContact CA-O 3.41Å; L69-C84 HydrophobicContact CB-CB 4.1Å; L69-C84 HydrophobicContact CD2-CB 4.26Å; L69-M85 HydrophobicContact CD2-CB 4.33Å; L69-M85 HydrophobicContact CD2-CG 3.71Å
70D98.1Very high94.6Very high20 Ų2052.7 Ų52.711%0.10728%0.281CS..EExtended strand (participates in β ladder)trans-69.8113.6163.7178.13.9000109.8Q72 R73 W74 C84 V86 Y113D70-Q72 VanDerWaalsContact C-N 3.27Å; D70-Q72 PolarHBondContact O-N 3.23Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.4Å; D70-Q72 PolarHBondContact OD1-N 3Å; D70-R73 HydrophobicContact CB-CB 4.23Å; D70-R73 HydrophobicContact CB-CG 4.38Å; D70-R73 PolarHBondContact O-N 2.88Å; D70-R73 WeakPolarHBondContact OD2-CG 3.33Å; D70-W74 WeakPolarHBondContact O-CB 3.48Å; D70-W74 PolarHBondContact O-N 2.81Å; D70-C84 PolarHBondContact N-O 2.99Å; D70-V86 HydrophobicContact CB-CG1 4.05Å; D70-Y113 HydrophobicContact CB-CE1 3.88Å; D70-Y113 PolarHBondContact OD2-OH 2.91Å
71K96.9Very high94.8Very high48 Ų4851 Ų5121%0.20927%0.272CS..Hα-helixtrans-61.4-35.2-179.9-174.1179.3-174.1172.60112.3E10 G11 H12 R13 L15 L69 W74 V75E10-K71 WeakPolarHBondContact OE1-CE 3.47Å; E10-K71 IonicContact OE1-NZ 2.72Å; E10-K71 PolarHBondContact OE1-NZ 3.29Å; G11-K71 PolarHBondContact O-NZ 3.46Å; H12-K71 WeakPolarHBondContact O-CD 3.38Å; R13-K71 WeakPolarHBondContact O-CB 3.44Å; R13-K71 PolarHBondContact O-N 3.36Å; L15-K71 HydrophobicContact CD2-CD 4.34Å; L15-K71 HydrophobicContact CD2-CG 4.13Å; L15-K71 HydrophobicContact CG-CB 4.28Å; L15-K71 HydrophobicContact CG-CG 4.32Å; L69-K71 PolarHBondContact O-N 3.27Å; K71-W74 PolarHBondContact O-N 2.8Å; K71-V75 VanDerWaalsContact O-CG2 3.32Å; K71-V75 WeakPolarHBondContact O-CG2 3.33Å; K71-V75 PolarHBondContact O-N 3.41Å
72Q95.8Very high95.1Very high167 Ų16747.8 Ų47.878%0.7825%0.252SS*.Hα-helixtrans-68.1-40.7-177.4-174.9177.1-3.900111.1D70D70-Q72 VanDerWaalsContact C-N 3.27Å; D70-Q72 PolarHBondContact O-N 3.23Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.4Å; D70-Q72 PolarHBondContact OD1-N 3Å
73R96Very high95.3Very high123 Ų12349.2 Ų49.246%0.46426%0.257SS..Hα-helixtrans-68.6-42.2174.4-75.3179.1163.3-143.4-7.3112.1D70 V75 D76 Q83 C84D70-R73 HydrophobicContact CB-CB 4.23Å; D70-R73 HydrophobicContact CB-CG 4.38Å; D70-R73 PolarHBondContact O-N 2.88Å; D70-R73 WeakPolarHBondContact OD2-CG 3.33Å; R73-V75 PolarHBondContact O-N 3.02Å; R73-D76 PolarHBondContact O-N 3.02Å; R73-D76 VanDerWaalsContact O-N 3.09Å; R73-Q83 PolarHBondContact NH1-O 3.02Å; R73-C84 HydrophobicContact CB-CB 4.39Å
74W94.9Very high95.5Very high20 Ų2047 Ų478%0.07625%0.247CC..Hα-helixtrans-58.1-32.6-178.9179.4-95.4000114.3L15 L69 D70 K71 D76 E81 C84 R204L15-W74 HydrophobicContact CD1-CB 3.87Å; L15-W74 HydrophobicContact CD1-CD2 3.88Å; L15-W74 HydrophobicContact CD1-CG 3.35Å; L69-W74 HydrophobicContact CD1-CD2 4.1Å; L69-W74 HydrophobicContact CD1-CE3 3.5Å; L69-W74 HydrophobicContact CD1-CH2 4.32Å; L69-W74 HydrophobicContact CD1-CZ3 3.65Å; D70-W74 WeakPolarHBondContact O-CB 3.48Å; D70-W74 PolarHBondContact O-N 2.81Å; K71-W74 PolarHBondContact O-N 2.8Å; W74-D76 PolarHBondContact O-N 3.5Å; W74-E81 HydrophobicContact CE3-CG 4.39Å; W74-E81 HydrophobicContact CH2-CB 4.35Å; W74-E81 HydrophobicContact CH2-CG 4.16Å; W74-E81 WeakPolarHBondContact CH2-OE2 3.19Å; W74-E81 HydrophobicContact CZ3-CB 3.6Å; W74-E81 HydrophobicContact CZ3-CG 3.47Å; W74-E81 VanDerWaalsContact CZ3-CG 3.47Å; W74-E81 WeakPolarHBondContact CZ3-OE2 3.44Å; W74-C84 HydrophobicContact CE3-CB 4.39Å; W74-R204 PolarHBondContact O-NE 3.44Å; W74-R204 VanDerWaalsContact O-NE 3.07Å
75V92.3Very high95.5Very high109 Ų10947.1 Ų47.166%0.66125%0.248SC*.THydrogen-bonded Turntrans-62.9-28.1179.4168.70000112.2K71 R73 P77K71-V75 VanDerWaalsContact O-CG2 3.32Å; K71-V75 WeakPolarHBondContact O-CG2 3.33Å; K71-V75 PolarHBondContact O-N 3.41Å; R73-V75 PolarHBondContact O-N 3.02Å; V75-P77 VanDerWaalsContact O-CD 3.29Å; V75-P77 WeakPolarHBondContact O-CD 3.34Å
76D92.8Very high95.6Very high85 Ų8546.7 Ų46.746%0.45525%0.245SC..SBendtrans-76112.8172.7-174.1-14.9000108.9R73 W74 G78 V79 R204R73-D76 PolarHBondContact O-N 3.02Å; R73-D76 VanDerWaalsContact O-N 3.09Å; W74-D76 PolarHBondContact O-N 3.5Å; D76-G78 PolarHBondContact O-N 2.96Å; D76-G78 PolarHBondContact OD1-N 2.97Å; D76-V79 HydrophobicContact CB-CB 4.5Å; D76-V79 HydrophobicContact CB-CG2 3.9Å; D76-V79 PolarHBondContact O-N 3.15Å; D76-R204 PolarHBondContact O-NH2 2.81Å
77P89.3Confident95.6Very high39 Ų3946.7 Ų46.725%0.25325%0.245SC..THydrogen-bonded Turntrans-67.3-18.7-177.733-38.3000112.3V75 V79 R204 L207 V208V75-P77 VanDerWaalsContact O-CD 3.29Å; V75-P77 WeakPolarHBondContact O-CD 3.34Å; P77-V79 VanDerWaalsContact C-N 3.32Å; P77-V79 PolarHBondContact O-N 2.97Å; P77-R204 HydrophobicContact CB-CG 4.28Å; P77-R204 PolarHBondContact O-NH2 3.41Å; P77-L207 HydrophobicContact CB-CB 4.18Å; P77-L207 HydrophobicContact CG-CB 4.35Å; P77-V208 HydrophobicContact CB-CG2 3.61Å; P77-V208 HydrophobicContact CG-CG2 4.47Å; P77-V208 WeakPolarHBondContact O-CG2 3.4Å
78G91.5Very high95.5Very high55 Ų5546.9 Ų46.957%0.56725%0.246SC*.THydrogen-bonded Turntrans-80.2-4.3178.200000115.5D76D76-G78 PolarHBondContact O-N 2.96Å; D76-G78 PolarHBondContact OD1-N 2.97Å
79V93.3Very high95.5Very high27 Ų2746.9 Ų46.916%0.16425%0.246CC..SBendtrans-101.7119.3-178.8176.40000110.3D76 P77 Q83 R204D76-V79 HydrophobicContact CB-CB 4.5Å; D76-V79 HydrophobicContact CB-CG2 3.9Å; D76-V79 PolarHBondContact O-N 3.15Å; P77-V79 VanDerWaalsContact C-N 3.32Å; P77-V79 PolarHBondContact O-N 2.97Å; V79-Q83 HydrophobicContact CG1-CB 3.71Å; V79-R204 PolarHBondContact O-NH2 2.95Å
80D93.3Very high95.5Very high98 Ų9847 Ų4752%0.52425%0.247SC..  trans-61.5154.3-179.1-54.3-49.6000113E82 Q83 C84D80-E82 VanDerWaalsContact C-N 3.26Å; D80-E82 PolarHBondContact O-N 3.29Å; D80-Q83 HydrophobicContact CB-CG 4.29Å; D80-Q83 WeakPolarHBondContact O-CB 3.42Å; D80-Q83 PolarHBondContact O-N 3.03Å; D80-Q83 PolarHBondContact OD2-NE2 3.16Å; D80-C84 PolarHBondContact O-N 2.89Å; D80-C84 PolarHBondContact O-SG 3.12Å
81E95.1Very high95.5Very high18 Ų1846.1 Ų46.18%0.08424%0.242CC..Hα-helixtrans-53.8-44.5-179.7-177.2152.5169.800112.2V17 H23 L69 W74 Q83 C84 M85 Y197V17-E81 WeakPolarHBondContact CG2-OE1 3.46Å; H23-E81 IonicContact CE1-OE1 2.87Å; H23-E81 PolarHBondContact CE1-OE1 2.98Å; H23-E81 VanDerWaalsContact CE1-OE1 3.29Å; H23-E81 VanDerWaalsContact NE2-CD 3.33Å; H23-E81 WeakPolarHBondContact NE2-CG 3.2Å; H23-E81 IonicContact NE2-OE1 2.72Å; H23-E81 PolarHBondContact NE2-OE1 3.27Å; L69-E81 HydrophobicContact CD1-CG 3.92Å; L69-E81 HydrophobicContact CD2-CG 4.18Å; W74-E81 HydrophobicContact CE3-CG 4.39Å; W74-E81 HydrophobicContact CH2-CB 4.35Å; W74-E81 HydrophobicContact CH2-CG 4.16Å; W74-E81 WeakPolarHBondContact CH2-OE2 3.19Å; W74-E81 HydrophobicContact CZ3-CB 3.6Å; W74-E81 HydrophobicContact CZ3-CG 3.47Å; W74-E81 VanDerWaalsContact CZ3-CG 3.47Å; W74-E81 WeakPolarHBondContact CZ3-OE2 3.44Å; E81-Q83 PolarHBondContact O-N 3.16Å; E81-Q83 VanDerWaalsContact O-N 3.16Å; E81-C84 WeakPolarHBondContact O-CA 3.46Å; E81-C84 VanDerWaalsContact O-CB 3.27Å; E81-C84 WeakPolarHBondContact O-CB 3.27Å; E81-C84 PolarHBondContact O-N 3.33Å; E81-M85 PolarHBondContact O-N 3.33Å; E81-Y197 PolarHBondContact OE1-OH 3.19Å; E81-Y197 PolarHBondContact OE2-OH 2.95Å; E81-Y197 VanDerWaalsContact OE2-OH 3.05Å
82E94.8Very high95.4Very high71 Ų7144.9 Ų44.933%0.33224%0.237SC..Hα-helixtrans-55.6-33.9177.8-64.4-179.9-136.800112.9E22 R26 D80 C84 M85E22-E82 VanDerWaalsContact O-CG 3.24Å; E22-E82 WeakPolarHBondContact O-CG 3.35Å; E22-E82 VanDerWaalsContact O-OE1 3.08Å; R26-E82 HydrophobicContact CB-CB 4.44Å; D80-E82 VanDerWaalsContact C-N 3.26Å; D80-E82 PolarHBondContact O-N 3.29Å; E82-C84 VanDerWaalsContact C-N 3.25Å; E82-C84 PolarHBondContact O-N 3.35Å; E82-M85 HydrophobicContact CB-SD 4.41Å; E82-M85 WeakPolarHBondContact O-CB 3.35Å; E82-M85 WeakPolarHBondContact O-CG 3.49Å; E82-M85 PolarHBondContact O-N 3.05Å
83Q94.9Very high95.4Very high97 Ų9738.7 Ų38.745%0.45321%0.209SC..Hα-helixtrans-78.5-13.6179.7-55.4-177.639.100112.7R73 V79 D80 E81R73-Q83 PolarHBondContact NH1-O 3.02Å; V79-Q83 HydrophobicContact CG1-CB 3.71Å; D80-Q83 HydrophobicContact CB-CG 4.29Å; D80-Q83 WeakPolarHBondContact O-CB 3.42Å; D80-Q83 PolarHBondContact O-N 3.03Å; D80-Q83 PolarHBondContact OD2-NE2 3.16Å; E81-Q83 PolarHBondContact O-N 3.16Å; E81-Q83 VanDerWaalsContact O-N 3.16Å
84C97.4Very high94.9Very high0 Ų036.2 Ų36.20%021%0.207CC..Hα-helixtrans-89.6-15.1173.7-560000112.1L69 D70 R73 W74 D80 E81 E82 V86L69-C84 CarbonylContact C-O 3.58Å; L69-C84 VanDerWaalsContact CA-O 3.3Å; L69-C84 WeakPolarHBondContact CA-O 3.41Å; L69-C84 HydrophobicContact CB-CB 4.1Å; L69-C84 HydrophobicContact CD2-CB 4.26Å; D70-C84 PolarHBondContact N-O 2.99Å; R73-C84 HydrophobicContact CB-CB 4.39Å; W74-C84 HydrophobicContact CE3-CB 4.39Å; D80-C84 PolarHBondContact O-N 2.89Å; D80-C84 PolarHBondContact O-SG 3.12Å; E81-C84 WeakPolarHBondContact O-CA 3.46Å; E81-C84 VanDerWaalsContact O-CB 3.27Å; E81-C84 WeakPolarHBondContact O-CB 3.27Å; E81-C84 PolarHBondContact O-N 3.33Å; E82-C84 VanDerWaalsContact C-N 3.25Å; E82-C84 PolarHBondContact O-N 3.35Å; C84-V86 PolarHBondContact O-N 3.12Å
85M98.3Very high94.6Very high3 Ų338 Ų382%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-62.5132.7-177.1-64.9178.653.900112.4H23 R26 W30 I67 L69 E81 E82H23-M85 HydrophobicContact CB-CE 3.82Å; H23-M85 HydrophobicContact CB-SD 3.78Å; R26-M85 HydrophobicContact CB-CE 4Å; R26-M85 HydrophobicContact CB-SD 3.73Å; R26-M85 HydrophobicContact CG-CB 4.17Å; R26-M85 HydrophobicContact CG-CE 3.96Å; R26-M85 HydrophobicContact CG-SD 3.8Å; W30-M85 HydrophobicContact CH2-CB 3.59Å; W30-M85 HydrophobicContact CH2-CE 3.75Å; W30-M85 HydrophobicContact CZ2-CB 3.85Å; W30-M85 WeakPolarHBondContact CZ2-O 3.43Å; W30-M85 HydrophobicContact CZ3-CE 3.71Å; I67-M85 HydrophobicContact CD1-CE 4.45Å; I67-M85 HydrophobicContact CG2-CB 4.32Å; I67-M85 HydrophobicContact CG2-CE 3.86Å; I67-M85 HydrophobicContact CG2-CG 3.74Å; I67-M85 HydrophobicContact CG2-SD 4.26Å; L69-M85 HydrophobicContact CD2-CB 4.33Å; L69-M85 HydrophobicContact CD2-CG 3.71Å; E81-M85 PolarHBondContact O-N 3.33Å; E82-M85 HydrophobicContact CB-SD 4.41Å; E82-M85 WeakPolarHBondContact O-CB 3.35Å; E82-M85 WeakPolarHBondContact O-CG 3.49Å; E82-M85 PolarHBondContact O-N 3.05Å
86V98.2Very high94.3Very high1 Ų138.8 Ų38.81%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-128.9-10.4178.6-59.50000114.5I68 D70 C84 I108 A109 E110 Y113I68-V86 HydrophobicContact CB-CG2 3.94Å; I68-V86 HydrophobicContact CG2-CG2 3.52Å; I68-V86 WeakPolarHBondContact O-CG2 3.48Å; I68-V86 PolarHBondContact O-N 2.89Å; D70-V86 HydrophobicContact CB-CG1 4.05Å; C84-V86 PolarHBondContact O-N 3.12Å; V86-I108 CarbonylContact O-C 3.54Å; V86-A109 PolarHBondContact O-N 3.45Å; V86-E110 HydrophobicContact CB-CB 4.44Å; V86-E110 HydrophobicContact CB-CG 4.35Å; V86-E110 HydrophobicContact CG1-CG 4.45Å; V86-E110 PolarHBondContact O-N 2.91Å; V86-Y113 HydrophobicContact CB-CD1 4.42Å; V86-Y113 HydrophobicContact CB-CD2 4.28Å; V86-Y113 HydrophobicContact CB-CG 4.17Å; V86-Y113 HydrophobicContact CG1-CD1 3.84Å; V86-Y113 HydrophobicContact CG1-CD2 3.76Å; V86-Y113 HydrophobicContact CG1-CE1 3.73Å; V86-Y113 HydrophobicContact CG1-CE2 3.62Å; V86-Y113 HydrophobicContact CG1-CG 3.85Å
87G98.3Very high94.2Very high0 Ų039.6 Ų39.60%024%0.238CC..EExtended strand (participates in β ladder)trans166.5-159.917600000112I68 M107I68-G87 PolarHBondContact N-O 3.06Å; G87-M107 CarbonylContact C-O 3.34Å; G87-M107 WeakPolarHBondContact CA-O 3.39Å
88D98.3Very high94.3Very high4 Ų440.2 Ų40.22%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-148164.8179.167.7-78.6000112.1Y27 F66 I67 I68 N90 M107Y27-D88 HydrophobicContact CE2-CB 4.22Å; Y27-D88 WeakPolarHBondContact CE2-OD1 3.19Å; F66-D88 CarbonylContact O-C 3.46Å; F66-D88 VanDerWaalsContact O-CA 3.31Å; F66-D88 WeakPolarHBondContact O-CA 3.43Å; F66-D88 WeakPolarHBondContact O-CB 3.4Å; I67-D88 HydrophobicContact CD1-CB 3.85Å; I68-D88 WeakPolarHBondContact CD1-O 3.27Å; D88-N90 PolarHBondContact OD2-ND2 3.42Å; D88-M107 PolarHBondContact N-O 3.01Å; D88-M107 PolarHBondContact O-N 2.9Å; D88-M107 WeakPolarHBondContact OD1-CE 2.95Å
89V98.5Very high94.1Very high0 Ų041.1 Ų41.10%024%0.235CC..EExtended strand (participates in β ladder)trans-140.8134.2175.559.40000110.3L16 T65 F66 L104 E105 V106 V122 M126L16-V89 HydrophobicContact CD1-CG1 4.21Å; L16-V89 HydrophobicContact CD2-CG1 4.06Å; T65-V89 WeakPolarHBondContact CA-O 3.31Å; F66-V89 HydrophobicContact CB-CG1 3.89Å; F66-V89 PolarHBondContact N-O 3.11Å; F66-V89 PolarHBondContact O-N 3.32Å; V89-L104 HydrophobicContact CG2-CD1 3.98Å; V89-E105 CarbonylContact C-O 3.47Å; V89-E105 VanDerWaalsContact CA-O 3.3Å; V89-E105 WeakPolarHBondContact CA-O 3.4Å; V89-E105 WeakPolarHBondContact CG2-O 3.48Å; V89-V106 HydrophobicContact CB-CG2 3.92Å; V89-V106 HydrophobicContact CG2-CG2 3.47Å; V89-V106 VanDerWaalsContact CG2-CG2 3.47Å; V89-V122 HydrophobicContact CB-CG1 3.65Å; V89-V122 HydrophobicContact CG1-CG1 3.77Å; V89-V122 HydrophobicContact CG2-CG1 4.03Å; V89-M126 HydrophobicContact CG1-CB 4.41Å; V89-M126 HydrophobicContact CG1-CG 4.45Å; V89-M126 HydrophobicContact CG1-SD 4.17Å; V89-M126 HydrophobicContact CG2-CB 3.59Å; V89-M126 HydrophobicContact CG2-CG 3.53Å; V89-M126 HydrophobicContact CG2-SD 4.21Å
90N97.8Very high94.2Very high3 Ų344.1 Ų44.12%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-126.2141-174.2-54.3-76.6000111.5C64 T65 D88 F92 L104 E105C64-N90 CarbonylContact O-C 3.59Å; C64-N90 WeakPolarHBondContact O-CA 3.48Å; T65-N90 VanDerWaalsContact CB-OD1 3.25Å; T65-N90 WeakPolarHBondContact CB-OD1 3.3Å; T65-N90 WeakPolarHBondContact CG2-OD1 3.32Å; T65-N90 PolarHBondContact OG1-OD1 2.94Å; D88-N90 PolarHBondContact OD2-ND2 3.42Å; N90-F92 HydrophobicContact CB-CD2 4.2Å; N90-F92 HydrophobicContact CB-CE1 4.3Å; N90-F92 HydrophobicContact CB-CE2 3.45Å; N90-F92 VanDerWaalsContact CB-CE2 3.45Å; N90-F92 HydrophobicContact CB-CZ 3.52Å; N90-L104 WeakPolarHBondContact O-CA 3.43Å; N90-L104 WeakPolarHBondContact O-CD1 3.47Å; N90-E105 HydrophobicContact CB-CB 4.33Å; N90-E105 PolarHBondContact N-O 2.89Å; N90-E105 PolarHBondContact O-N 2.94Å
91I97.4Very high94.3Very high0 Ų040.3 Ų40.30%023%0.226CC..EExtended strand (participates in β ladder)trans-112.9128.5159.2-79.8174.4000108.3K63 C64 L93 A102 E103 L104 M126 L134 F139K63-I91 WeakPolarHBondContact CA-O 3.45Å; C64-I91 HydrophobicContact CB-CB 4.29Å; C64-I91 PolarHBondContact N-O 3.13Å; C64-I91 PolarHBondContact O-N 3.33Å; I91-L93 HydrophobicContact CG2-CD2 4.11Å; I91-A102 HydrophobicContact CG2-CB 3.76Å; I91-E103 CarbonylContact C-O 3.57Å; I91-E103 VanDerWaalsContact CA-O 3.29Å; I91-E103 WeakPolarHBondContact CA-O 3.15Å; I91-L104 HydrophobicContact CG1-CD1 3.91Å; I91-M126 HydrophobicContact CB-CE 3.75Å; I91-M126 HydrophobicContact CD1-CE 3.78Å; I91-M126 HydrophobicContact CD1-CG 3.8Å; I91-M126 HydrophobicContact CD1-SD 4.31Å; I91-M126 HydrophobicContact CG1-CE 3.57Å; I91-M126 HydrophobicContact CG1-CG 3.95Å; I91-L134 HydrophobicContact CB-CD1 4.32Å; I91-L134 HydrophobicContact CD1-CD1 4.14Å; I91-L134 HydrophobicContact CG2-CD1 3.79Å; I91-F139 HydrophobicContact CD1-CE1 3.97Å
92F96.4Very high94.4Very high23 Ų2339.4 Ų39.410%0.10122%0.222CC..EExtended strand (participates in β ladder)trans-115.2125.8171.8-54-75.9000110.3W57 D62 K63 N90 T94 A102 E103 E105W57-F92 HydrophobicContact CH2-CZ 4.32Å; W57-F92 HydrophobicContact CZ3-CZ 4.47Å; D62-F92 CarbonylContact O-C 3.54Å; D62-F92 WeakPolarHBondContact O-CA 3.38Å; K63-F92 HydrophobicContact CB-CD1 4.18Å; K63-F92 HydrophobicContact CB-CE1 4.31Å; K63-F92 HydrophobicContact CD-CD1 4.09Å; K63-F92 HydrophobicContact CD-CE1 3.98Å; K63-F92 HydrophobicContact CG-CD1 3.82Å; K63-F92 HydrophobicContact CG-CE1 4.12Å; N90-F92 HydrophobicContact CB-CD2 4.2Å; N90-F92 HydrophobicContact CB-CE1 4.3Å; N90-F92 HydrophobicContact CB-CE2 3.45Å; N90-F92 VanDerWaalsContact CB-CE2 3.45Å; N90-F92 HydrophobicContact CB-CZ 3.52Å; F92-T94 HydrophobicContact CB-CG2 3.6Å; F92-T94 PolarHBondContact O-N 3.07Å; F92-A102 CarbonylContact O-C 3.47Å; F92-A102 WeakPolarHBondContact O-CA 3.49Å; F92-E103 HydrophobicContact CB-CB 4.24Å; F92-E103 HydrophobicContact CD2-CG 4.47Å; F92-E103 PolarHBondContact N-O 2.87Å; F92-E103 PolarHBondContact O-N 3.36Å; F92-E105 HydrophobicContact CD2-CG 4.46Å; F92-E105 HydrophobicContact CE2-CB 4.42Å; F92-E105 VanDerWaalsContact CE2-CD 3.49Å; F92-E105 HydrophobicContact CE2-CG 4.1Å; F92-E105 WeakPolarHBondContact CE2-OE1 3.5Å
93L94.1Very high94.6Very high37 Ų3736.8 Ų36.819%0.19421%0.209CC..  trans-92.876174-56.8179.6000108.7M1 D62 I91 A102 V136M1-L93 HydrophobicContact CE-CD1 3.5Å; M1-L93 VanDerWaalsContact CE-CD1 3.5Å; M1-L93 HydrophobicContact CE-CG 4Å; D62-L93 HydrophobicContact CB-CB 4.06Å; D62-L93 PolarHBondContact O-N 3.25Å; I91-L93 HydrophobicContact CG2-CD2 4.11Å; L93-A102 HydrophobicContact CD2-CB 3.92Å; L93-V136 HydrophobicContact CD2-CG2 4.36Å
94T87.4Confident94.7Very high70 Ų7032.2 Ų32.243%0.42919%0.188SC..  trans-81.2-16.6-164.353.80000115F92 P96 E103F92-T94 HydrophobicContact CB-CG2 3.6Å; F92-T94 PolarHBondContact O-N 3.07Å; T94-P96 WeakPolarHBondContact O-CD 3.3Å; T94-E103 HydrophobicContact CG2-CB 4.38Å
95D88.1Confident94.7Very high57 Ų5735.5 Ų35.531%0.30520%0.203SC..  trans-110.8103.7-178.5-169.3-14.7000111.3S97 D98 L101D95-S97 VanDerWaalsContact CG-OG 3.27Å; D95-S97 PolarHBondContact O-N 3.1Å; D95-S97 VanDerWaalsContact O-N 3.13Å; D95-S97 WeakPolarHBondContact OD1-CA 3.42Å; D95-S97 VanDerWaalsContact OD1-CB 3.29Å; D95-S97 WeakPolarHBondContact OD1-CB 3.42Å; D95-S97 PolarHBondContact OD1-N 3.17Å; D95-S97 PolarHBondContact OD1-OG 3.16Å; D95-S97 PolarHBondContact OD2-OG 3.25Å; D95-D98 HydrophobicContact CB-CB 4.37Å; D95-D98 CarbonylContact O-C 3.59Å; D95-D98 PolarHBondContact O-N 3.42Å; D95-D98 PolarHBondContact OD1-N 2.8Å; D95-L101 HydrophobicContact CB-CD2 4.43Å
96P84.8Confident94.7Very high127 Ų12736.7 Ų36.783%0.82521%0.211SC*.THydrogen-bonded Turntrans-61.3-20175.5-2333.9000114T94T94-P96 WeakPolarHBondContact O-CD 3.3Å
97S90.9Very high94.6Very high102 Ų10237.3 Ų37.371%0.71321%0.214SC*.THydrogen-bonded Turntrans-85.3-20176.877.20000113.2D95D95-S97 VanDerWaalsContact CG-OG 3.27Å; D95-S97 PolarHBondContact O-N 3.1Å; D95-S97 VanDerWaalsContact O-N 3.13Å; D95-S97 WeakPolarHBondContact OD1-CA 3.42Å; D95-S97 VanDerWaalsContact OD1-CB 3.29Å; D95-S97 WeakPolarHBondContact OD1-CB 3.42Å; D95-S97 PolarHBondContact OD1-N 3.17Å; D95-S97 PolarHBondContact OD1-OG 3.16Å; D95-S97 PolarHBondContact OD2-OG 3.25Å
98D91.4Very high94.6Very high52 Ų5238.4 Ų38.428%0.27822%0.219SC..  trans-129.481173.3-170.70.4000111.1D95 F100 L101D95-D98 HydrophobicContact CB-CB 4.37Å; D95-D98 CarbonylContact O-C 3.59Å; D95-D98 PolarHBondContact O-N 3.42Å; D95-D98 PolarHBondContact OD1-N 2.8Å; D98-F100 PolarHBondContact O-N 2.8Å; D98-F100 PolarHBondContact OD1-N 2.87Å; D98-F100 VanDerWaalsContact OD1-N 3.16Å; D98-L101 HydrophobicContact CB-CB 4.17Å; D98-L101 PolarHBondContact O-N 2.83Å
99P88.4Confident94.5Very high74 Ų7438.4 Ų38.448%0.48122%0.22SC..THydrogen-bonded Turntrans-66.7-4.8179.929.3-36.7000113.5
100F93.9Very high94.4Very high90 Ų9040.2 Ų40.240%0.39523%0.228SC..THydrogen-bonded Turntrans-95.6-7.1177.1-52.4-69.6000112.9D98 G135 K137 K138D98-F100 PolarHBondContact O-N 2.8Å; D98-F100 PolarHBondContact OD1-N 2.87Å; D98-F100 VanDerWaalsContact OD1-N 3.16Å; F100-G135 WeakPolarHBondContact CD1-O 3.41Å; F100-K137 HydrophobicContact CB-CB 3.94Å; F100-K137 HydrophobicContact CB-CD 4.16Å; F100-K137 HydrophobicContact CB-CG 3.98Å; F100-K137 HydrophobicContact CD1-CD 3.97Å; F100-K137 HydrophobicContact CD1-CG 4.1Å; F100-K137 HydrophobicContact CG-CD 3.99Å; F100-K137 HydrophobicContact CG-CG 4.22Å; F100-K137 PolarHBondContact O-N 2.96Å; F100-K138 PolarHBondContact O-N 2.86Å
101L96.5Very high94.3Very high17 Ų1744 Ų449%0.08925%0.253CS..EExtended strand (participates in β ladder)trans-88.9127.5172.6174.460.2000110.2D95 D98 K138 Q140D95-L101 HydrophobicContact CB-CD2 4.43Å; D98-L101 HydrophobicContact CB-CB 4.17Å; D98-L101 PolarHBondContact O-N 2.83Å; L101-K138 WeakPolarHBondContact CA-O 3.31Å; L101-K138 HydrophobicContact CD1-CB 4.07Å; L101-K138 HydrophobicContact CD1-CD 3.85Å; L101-K138 HydrophobicContact CD1-CG 3.74Å; L101-Q140 HydrophobicContact CD1-CB 3.97Å
102A97.6Very high94.2Very high0 Ų047 Ų470%027%0.274CS..EExtended strand (participates in β ladder)trans-125.4131.3174.300000111I91 F92 L93 V136 K138 F139 Q140I91-A102 HydrophobicContact CG2-CB 3.76Å; F92-A102 CarbonylContact O-C 3.47Å; F92-A102 WeakPolarHBondContact O-CA 3.49Å; L93-A102 HydrophobicContact CD2-CB 3.92Å; A102-V136 HydrophobicContact CB-CB 4.34Å; A102-V136 HydrophobicContact CB-CG1 3.69Å; A102-V136 HydrophobicContact CB-CG2 3.62Å; A102-K138 PolarHBondContact N-O 3.01Å; A102-F139 HydrophobicContact CB-CD1 4.23Å; A102-F139 HydrophobicContact CB-CE1 4.39Å; A102-F139 CarbonylContact O-C 3.55Å; A102-F139 WeakPolarHBondContact O-CA 3.29Å; A102-Q140 PolarHBondContact O-N 2.93Å
103E97.6Very high94.1Very high15 Ų1547.2 Ų47.27%0.0728%0.275CS..EExtended strand (participates in β ladder)trans-80.8129.8163.6179.9161.2-160.700109.3I91 F92 T94 Q140 K142I91-E103 CarbonylContact C-O 3.57Å; I91-E103 VanDerWaalsContact CA-O 3.29Å; I91-E103 WeakPolarHBondContact CA-O 3.15Å; F92-E103 HydrophobicContact CB-CB 4.24Å; F92-E103 HydrophobicContact CD2-CG 4.47Å; F92-E103 PolarHBondContact N-O 2.87Å; F92-E103 PolarHBondContact O-N 3.36Å; T94-E103 HydrophobicContact CG2-CB 4.38Å; E103-Q140 CarbonylContact C-O 3.34Å; E103-Q140 VanDerWaalsContact CA-O 3.29Å; E103-Q140 WeakPolarHBondContact CA-O 3.4Å; E103-K142 VanDerWaalsContact CD-NZ 3.31Å; E103-K142 WeakPolarHBondContact OE1-CD 3.48Å; E103-K142 WeakPolarHBondContact OE1-CG 3.4Å; E103-K142 IonicContact OE1-NZ 3.14Å; E103-K142 PolarHBondContact OE1-NZ 3.42Å; E103-K142 VanDerWaalsContact OE1-NZ 3.14Å; E103-K142 IonicContact OE2-NZ 2.75Å; E103-K142 PolarHBondContact OE2-NZ 2.61Å
104L98Very high94.2Very high1 Ų149.1 Ų49.11%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-118.3120.4-174.817762.2000109.8V89 N90 I91 T123 M126 M127 F139 Q140 F154 F159V89-L104 HydrophobicContact CG2-CD1 3.98Å; N90-L104 WeakPolarHBondContact O-CA 3.43Å; N90-L104 WeakPolarHBondContact O-CD1 3.47Å; I91-L104 HydrophobicContact CG1-CD1 3.91Å; L104-T123 HydrophobicContact CD2-CG2 3.64Å; L104-M126 HydrophobicContact CD1-CB 4.13Å; L104-M126 HydrophobicContact CD1-CG 3.66Å; L104-M127 HydrophobicContact CD2-CG 3.56Å; L104-M127 HydrophobicContact CD2-SD 4.24Å; L104-F139 HydrophobicContact CB-CD1 4.19Å; L104-F139 HydrophobicContact CD2-CD1 4.12Å; L104-Q140 PolarHBondContact N-O 2.82Å; L104-F154 HydrophobicContact CD2-CE1 4.25Å; L104-F159 HydrophobicContact CD2-CZ 4.4Å
105E97.3Very high94.4Very high69 Ų6950.1 Ų50.132%0.32230%0.303SS..EExtended strand (participates in β ladder)trans-121.3140.3179-66-179.3-160.100110.8V89 N90 F92V89-E105 CarbonylContact C-O 3.47Å; V89-E105 VanDerWaalsContact CA-O 3.3Å; V89-E105 WeakPolarHBondContact CA-O 3.4Å; V89-E105 WeakPolarHBondContact CG2-O 3.48Å; N90-E105 HydrophobicContact CB-CB 4.33Å; N90-E105 PolarHBondContact N-O 2.89Å; N90-E105 PolarHBondContact O-N 2.94Å; F92-E105 HydrophobicContact CD2-CG 4.46Å; F92-E105 HydrophobicContact CE2-CB 4.42Å; F92-E105 VanDerWaalsContact CE2-CD 3.49Å; F92-E105 HydrophobicContact CE2-CG 4.1Å; F92-E105 WeakPolarHBondContact CE2-OE1 3.5Å
106V97.4Very high94.6Very high29 Ų2954.1 Ų54.118%0.17631%0.314CS..EExtended strand (participates in β ladder)trans-134.7126.5177.1157.10000108.7V89 I108 V122V89-V106 HydrophobicContact CB-CG2 3.92Å; V89-V106 HydrophobicContact CG2-CG2 3.47Å; V89-V106 VanDerWaalsContact CG2-CG2 3.47Å; V106-I108 HydrophobicContact CG1-CD1 4.36Å; V106-I108 HydrophobicContact CG1-CG1 4.48Å; V106-V122 HydrophobicContact CG2-CG1 4Å
107M96.9Very high95.1Very high13 Ų1350 Ų506%0.06430%0.295CS..EExtended strand (participates in β ladder)trans-117.8127.7169.7-177.318061.200109.9Y27 W30 M31 L36 T40 G87 D88 A109Y27-M107 HydrophobicContact CE2-CE 4.15Å; W30-M107 HydrophobicContact CE3-CE 4.12Å; M31-M107 HydrophobicContact CE-CE 3.57Å; M31-M107 HydrophobicContact CE-SD 3.65Å; L36-M107 HydrophobicContact CB-SD 4.44Å; L36-M107 HydrophobicContact CD1-SD 4.39Å; L36-M107 HydrophobicContact CD2-CG 4.36Å; L36-M107 HydrophobicContact CD2-SD 3.92Å; L36-M107 HydrophobicContact CG-SD 4.49Å; T40-M107 HydrophobicContact CG2-CB 4.31Å; T40-M107 HydrophobicContact CG2-CG 4.1Å; T40-M107 HydrophobicContact CG2-SD 3.62Å; G87-M107 CarbonylContact C-O 3.34Å; G87-M107 WeakPolarHBondContact CA-O 3.39Å; D88-M107 PolarHBondContact N-O 3.01Å; D88-M107 PolarHBondContact O-N 2.9Å; D88-M107 WeakPolarHBondContact OD1-CE 2.95Å; M107-A109 HydrophobicContact CE-CB 3.98Å; M107-A109 HydrophobicContact CG-CB 4.46Å; M107-A109 HydrophobicContact SD-CB 4.32Å
108I97.8Very high95.4Very high24 Ų2445.6 Ų45.612%0.12326%0.263CS..EExtended strand (participates in β ladder)trans-104.491.9163.9-53-57.2000107.2I68 V86 V106 R114 I118I68-I108 HydrophobicContact CD1-CD1 3.72Å; V86-I108 CarbonylContact O-C 3.54Å; V106-I108 HydrophobicContact CG1-CD1 4.36Å; V106-I108 HydrophobicContact CG1-CG1 4.48Å; I108-R114 HydrophobicContact CB-CG 4.21Å; I108-R114 HydrophobicContact CG2-CG 3.92Å; I108-R114 PolarHBondContact O-NE 2.85Å; I108-I118 HydrophobicContact CD1-CG2 3.79Å
109A96.8Very high95.7Very high4 Ų443.6 Ų43.63%0.03326%0.255CS..  trans-63.5-45.9-172.600000111.3W30 L36 V86 M107 P111 R114W30-A109 HydrophobicContact CB-CB 4.26Å; W30-A109 HydrophobicContact CD2-CB 3.31Å; W30-A109 VanDerWaalsContact CE2-CB 3.46Å; W30-A109 HydrophobicContact CE3-CB 3.62Å; W30-A109 HydrophobicContact CG-CB 3.64Å; W30-A109 HydrophobicContact CH2-CB 4.09Å; W30-A109 HydrophobicContact CZ2-CB 3.87Å; W30-A109 HydrophobicContact CZ3-CB 4Å; L36-A109 HydrophobicContact CD1-CB 4.11Å; V86-A109 PolarHBondContact O-N 3.45Å; M107-A109 HydrophobicContact CE-CB 3.98Å; M107-A109 HydrophobicContact CG-CB 4.46Å; M107-A109 HydrophobicContact SD-CB 4.32Å; A109-P111 VanDerWaalsContact O-CD 3.25Å; A109-P111 WeakPolarHBondContact O-CD 3.11Å; A109-R114 PolarHBondContact O-NH2 3.46Å
110E96.5Very high96.1Very high37 Ų3743.7 Ų43.717%0.17325%0.248CC..  trans-74.9113.3-176-68.9-62.6146.900112.4R26 W30 V86 S112 Y113R26-E110 IonicContact CZ-OE1 2.87Å; R26-E110 IonicContact NH2-OE1 3.82Å; R26-E110 PolarHBondContact NH2-OE1 2.81Å; R26-E110 IonicContact NH2-OE2 2.79Å; W30-E110 HydrophobicContact CZ2-CG 4.28Å; W30-E110 PolarHBondContact NE1-OE1 3.49Å; V86-E110 HydrophobicContact CB-CB 4.44Å; V86-E110 HydrophobicContact CB-CG 4.35Å; V86-E110 HydrophobicContact CG1-CG 4.45Å; V86-E110 PolarHBondContact O-N 2.91Å; E110-S112 PolarHBondContact O-N 2.85Å; E110-S112 VanDerWaalsContact O-N 3.12Å; E110-Y113 HydrophobicContact CB-CD2 3.5Å; E110-Y113 VanDerWaalsContact CB-CD2 3.5Å; E110-Y113 HydrophobicContact CB-CE2 4.13Å; E110-Y113 HydrophobicContact CB-CG 4.39Å; E110-Y113 HydrophobicContact CG-CD2 4.31Å; E110-Y113 PolarHBondContact O-N 3.34Å
111P94.3Very high96.3Very high83 Ų8340.1 Ų40.154%0.53923%0.232SC..G310 helixtrans-58.4-33.7-175.9-2635.4000113.3A109 Y113 R114A109-P111 VanDerWaalsContact O-CD 3.25Å; A109-P111 WeakPolarHBondContact O-CD 3.11Å; P111-Y113 PolarHBondContact O-N 3.35Å; P111-Y113 VanDerWaalsContact O-N 3.17Å; P111-R114 WeakPolarHBondContact O-CB 3.19Å; P111-R114 PolarHBondContact O-N 3.44Å; P111-R114 VanDerWaalsContact O-N 3.15Å
112S95.6Very high96.4Very high64 Ų6439.3 Ų39.345%0.44823%0.228SC..G310 helixtrans-63-21179.3650000113E110 R116E110-S112 PolarHBondContact O-N 2.85Å; E110-S112 VanDerWaalsContact O-N 3.12Å; S112-R116 PolarHBondContact O-NE 3.16Å; S112-R116 PolarHBondContact O-NH2 2.99Å
113Y95.9Very high96.4Very high27 Ų2739.3 Ų39.311%0.10623%0.228CC..G310 helixtrans-96.5-9.7179.3-68.7-96.9000113.4D70 V86 E110 P111 I118D70-Y113 HydrophobicContact CB-CE1 3.88Å; D70-Y113 PolarHBondContact OD2-OH 2.91Å; V86-Y113 HydrophobicContact CB-CD1 4.42Å; V86-Y113 HydrophobicContact CB-CD2 4.28Å; V86-Y113 HydrophobicContact CB-CG 4.17Å; V86-Y113 HydrophobicContact CG1-CD1 3.84Å; V86-Y113 HydrophobicContact CG1-CD2 3.76Å; V86-Y113 HydrophobicContact CG1-CE1 3.73Å; V86-Y113 HydrophobicContact CG1-CE2 3.62Å; V86-Y113 HydrophobicContact CG1-CG 3.85Å; E110-Y113 HydrophobicContact CB-CD2 3.5Å; E110-Y113 VanDerWaalsContact CB-CD2 3.5Å; E110-Y113 HydrophobicContact CB-CE2 4.13Å; E110-Y113 HydrophobicContact CB-CG 4.39Å; E110-Y113 HydrophobicContact CG-CD2 4.31Å; E110-Y113 PolarHBondContact O-N 3.34Å; P111-Y113 PolarHBondContact O-N 3.35Å; P111-Y113 VanDerWaalsContact O-N 3.17Å; Y113-I118 HydrophobicContact CD1-CD1 3.71Å; Y113-I118 HydrophobicContact CG-CD1 4.31Å
114R94.4Very high96.4Very high77 Ų7742 Ų4229%0.29124%0.238SC..THydrogen-bonded Turntrans-69.6153.8177.7-59.2-179-167.2162.77.2111.1E35 I108 A109 P111 R116E35-R114 IonicContact OE1-CZ 2.81Å; E35-R114 IonicContact OE1-NH1 3.95Å; E35-R114 PolarHBondContact OE1-NH1 2.89Å; E35-R114 IonicContact OE2-NH1 3.13Å; E35-R114 IonicContact OE2-NH2 2.73Å; I108-R114 HydrophobicContact CB-CG 4.21Å; I108-R114 HydrophobicContact CG2-CG 3.92Å; I108-R114 PolarHBondContact O-NE 2.85Å; A109-R114 PolarHBondContact O-NH2 3.46Å; P111-R114 WeakPolarHBondContact O-CB 3.19Å; P111-R114 PolarHBondContact O-N 3.44Å; P111-R114 VanDerWaalsContact O-N 3.15Å; R114-R116 PolarHBondContact O-N 2.97Å; R114-R116 VanDerWaalsContact O-N 3.13Å
115G91.8Very high96.5Very high90 Ų9042 Ų4293%0.92824%0.238SC*.THydrogen-bonded Turntrans71.31.4179.200000115.7
116R93.3Very high96.5Very high141 Ų14138.7 Ų38.753%0.53222%0.222SC..SBendtrans-93.53.7-178.8-59.5-175.2-176.8-166.71.5114.4R13 S112 R114 I118R13-R116 PolarHBondContact NH1-O 2.8Å; S112-R116 PolarHBondContact O-NE 3.16Å; S112-R116 PolarHBondContact O-NH2 2.99Å; R114-R116 PolarHBondContact O-N 2.97Å; R114-R116 VanDerWaalsContact O-N 3.13Å; R116-I118 VanDerWaalsContact C-N 3.34Å; R116-I118 HydrophobicContact CB-CD1 4.43Å; R116-I118 HydrophobicContact CB-CG1 4.46Å
117G94.9Very high96.6Very high41 Ų4137.6 Ų37.642%0.42322%0.215SC..SBendtrans85.1-0.5-176.400000115.2G119 K120 E121G117-G119 PolarHBondContact O-N 2.85Å; G117-K120 PolarHBondContact O-N 2.92Å; G117-K120 VanDerWaalsContact O-N 3.16Å; G117-E121 PolarHBondContact O-N 3.33Å
118I96.8Very high96.6Very high9 Ų937.5 Ų37.55%0.04622%0.216CC..Hα-helixtrans-58.6-45.2-179.9-69.2170000111.7V14 I108 Y113 R116 K120 E121 V122V14-I118 HydrophobicContact CG1-CG1 4.38Å; V14-I118 HydrophobicContact CG1-CG2 3.65Å; I108-I118 HydrophobicContact CD1-CG2 3.79Å; Y113-I118 HydrophobicContact CD1-CD1 3.71Å; Y113-I118 HydrophobicContact CG-CD1 4.31Å; R116-I118 VanDerWaalsContact C-N 3.34Å; R116-I118 HydrophobicContact CB-CD1 4.43Å; R116-I118 HydrophobicContact CB-CG1 4.46Å; I118-K120 PolarHBondContact O-N 3.02Å; I118-E121 WeakPolarHBondContact O-CB 3.22Å; I118-E121 PolarHBondContact O-N 2.88Å; I118-V122 HydrophobicContact CG2-CG2 3.86Å; I118-V122 VanDerWaalsContact O-CG2 3.3Å; I118-V122 WeakPolarHBondContact O-CG2 3.24Å; I118-V122 PolarHBondContact O-N 3.29Å
119G97.1Very high96.7Very high11 Ų1136.5 Ų36.511%0.11321%0.211CC..Hα-helixtrans-54.9-38.1177.900000113.1G117 T123G117-G119 PolarHBondContact O-N 2.85Å; G119-T123 VanDerWaalsContact O-CB 3.31Å; G119-T123 WeakPolarHBondContact O-CB 3.41Å; G119-T123 PolarHBondContact O-N 3.45Å; G119-T123 PolarHBondContact O-OG1 3.06Å
120K97.1Very high96.7Very high75 Ų7536.3 Ų36.333%0.32621%0.209SC..Hα-helixtrans-69.4-42.5176.7-69.4-178.7176.1-1770112.7G117 I118 R124 M153G117-K120 PolarHBondContact O-N 2.92Å; G117-K120 VanDerWaalsContact O-N 3.16Å; I118-K120 PolarHBondContact O-N 3.02Å; K120-R124 WeakPolarHBondContact O-CB 3.48Å; K120-R124 WeakPolarHBondContact O-CD 3.34Å; K120-R124 VanDerWaalsContact O-CG 3.29Å; K120-R124 WeakPolarHBondContact O-CG 2.9Å; K120-R124 PolarHBondContact O-N 2.71Å; K120-R124 VanDerWaalsContact O-N 3.1Å; K120-M153 HydrophobicContact CG-CG 3.7Å; K120-M153 HydrophobicContact CG-SD 4.2Å
121E98.1Very high96.7Very high16 Ų1635.1 Ų35.18%0.07520%0.204CC..Hα-helixtrans-60.1-51.2176.6170.2171.7-166.300110.4H12 R13 V14 G117 I118 T123 R124 M125H12-E121 WeakPolarHBondContact CA-OE1 3.04Å; H12-E121 WeakPolarHBondContact CB-OE1 3.32Å; H12-E121 PolarHBondContact N-OE1 2.84Å; R13-E121 WeakPolarHBondContact CB-OE2 3.37Å; R13-E121 PolarHBondContact N-OE1 2.71Å; V14-E121 HydrophobicContact CG2-CG 4.03Å; G117-E121 PolarHBondContact O-N 3.33Å; I118-E121 WeakPolarHBondContact O-CB 3.22Å; I118-E121 PolarHBondContact O-N 2.88Å; E121-T123 PolarHBondContact O-N 3.07Å; E121-R124 PolarHBondContact O-N 3.12Å; E121-M125 HydrophobicContact CG-SD 3.8Å; E121-M125 VanDerWaalsContact O-CG 3.29Å; E121-M125 WeakPolarHBondContact O-CG 3.45Å; E121-M125 PolarHBondContact O-N 3.4Å
122V98.4Very high96.8Very high0 Ų035 Ų350%020%0.201CC..Hα-helixtrans-59.3-48.7178.4171.50000111.4V14 L16 I68 V89 V106 I118 R124 M125 M126V14-V122 HydrophobicContact CG2-CG2 3.85Å; L16-V122 HydrophobicContact CD2-CG1 4.09Å; L16-V122 HydrophobicContact CD2-CG2 4.28Å; I68-V122 HydrophobicContact CD1-CB 4.37Å; I68-V122 HydrophobicContact CD1-CG1 3.71Å; I68-V122 HydrophobicContact CD1-CG2 3.92Å; I68-V122 HydrophobicContact CG1-CG1 4Å; I68-V122 HydrophobicContact CG1-CG2 4.12Å; I68-V122 HydrophobicContact CG2-CG2 3.83Å; V89-V122 HydrophobicContact CB-CG1 3.65Å; V89-V122 HydrophobicContact CG1-CG1 3.77Å; V89-V122 HydrophobicContact CG2-CG1 4.03Å; V106-V122 HydrophobicContact CG2-CG1 4Å; I118-V122 HydrophobicContact CG2-CG2 3.86Å; I118-V122 VanDerWaalsContact O-CG2 3.3Å; I118-V122 WeakPolarHBondContact O-CG2 3.24Å; I118-V122 PolarHBondContact O-N 3.29Å; V122-R124 VanDerWaalsContact C-N 3.31Å; V122-R124 PolarHBondContact O-N 3.19Å; V122-M125 PolarHBondContact O-N 3.05Å; V122-M126 WeakPolarHBondContact O-CB 3.4Å; V122-M126 PolarHBondContact O-N 2.69Å
123T98.4Very high96.8Very high0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-59-44.2-179.4-53.40000110.8L104 G119 E121 M126 M127 F154 L157L104-T123 HydrophobicContact CD2-CG2 3.64Å; G119-T123 VanDerWaalsContact O-CB 3.31Å; G119-T123 WeakPolarHBondContact O-CB 3.41Å; G119-T123 PolarHBondContact O-N 3.45Å; G119-T123 PolarHBondContact O-OG1 3.06Å; E121-T123 PolarHBondContact O-N 3.07Å; T123-M126 PolarHBondContact O-N 2.85Å; T123-M127 HydrophobicContact CG2-CG 4.41Å; T123-M127 HydrophobicContact CG2-SD 3.93Å; T123-M127 WeakPolarHBondContact O-CB 3.29Å; T123-M127 WeakPolarHBondContact O-CG 3.19Å; T123-M127 PolarHBondContact O-N 2.91Å; T123-F154 HydrophobicContact CG2-CE1 4.02Å; T123-F154 HydrophobicContact CG2-CZ 4.34Å; T123-L157 HydrophobicContact CG2-CD1 3.5Å; T123-L157 VanDerWaalsContact CG2-CD1 3.5Å
124R98.4Very high96.8Very high72 Ų7236.2 Ų36.227%0.27220%0.2SC..Hα-helixtrans-65-44.5178-73.8168.3166174.8-11.2112.7K120 E121 V122 M126 M127 S128 L157 L185 D188 V189K120-R124 WeakPolarHBondContact O-CB 3.48Å; K120-R124 WeakPolarHBondContact O-CD 3.34Å; K120-R124 VanDerWaalsContact O-CG 3.29Å; K120-R124 WeakPolarHBondContact O-CG 2.9Å; K120-R124 PolarHBondContact O-N 2.71Å; K120-R124 VanDerWaalsContact O-N 3.1Å; E121-R124 PolarHBondContact O-N 3.12Å; V122-R124 VanDerWaalsContact C-N 3.31Å; V122-R124 PolarHBondContact O-N 3.19Å; R124-M126 VanDerWaalsContact C-N 3.34Å; R124-M126 PolarHBondContact O-N 2.99Å; R124-M127 PolarHBondContact O-N 3.14Å; R124-S128 WeakPolarHBondContact O-CB 3.5Å; R124-S128 PolarHBondContact O-N 3.15Å; R124-L157 HydrophobicContact CG-CD2 3.99Å; R124-L185 HydrophobicContact CB-CD1 3.74Å; R124-L185 HydrophobicContact CG-CD1 3.85Å; R124-D188 IonicContact CZ-OD2 4Å; R124-D188 IonicContact NE-OD2 2.63Å; R124-D188 PolarHBondContact NE-OD2 3.14Å; R124-D188 IonicContact NH1-OD2 3.46Å; R124-D188 IonicContact NH2-OD2 3.9Å; R124-D188 PolarHBondContact NH2-OD2 3.33Å; R124-V189 HydrophobicContact CB-CG1 3.68Å
125M98.7Very high96.9Very high0 Ų034.1 Ų34.10%020%0.203CC..Hα-helixtrans-59.4-46.4176.7-70.4170.364.100110.8L9 V14 L16 E121 V122 S128 Y129 M192L9-M125 HydrophobicContact CB-CE 3.79Å; L9-M125 WeakPolarHBondContact O-CE 3.31Å; V14-M125 HydrophobicContact CG2-SD 4.19Å; L16-M125 HydrophobicContact CD1-CB 3.81Å; L16-M125 HydrophobicContact CD1-CE 4Å; L16-M125 HydrophobicContact CG-CE 3.88Å; E121-M125 HydrophobicContact CG-SD 3.8Å; E121-M125 VanDerWaalsContact O-CG 3.29Å; E121-M125 WeakPolarHBondContact O-CG 3.45Å; E121-M125 PolarHBondContact O-N 3.4Å; V122-M125 PolarHBondContact O-N 3.05Å; M125-S128 WeakPolarHBondContact O-CB 3.25Å; M125-S128 PolarHBondContact O-N 3.45Å; M125-Y129 PolarHBondContact O-N 3.43Å; M125-M192 HydrophobicContact CB-SD 3.8Å; M125-M192 HydrophobicContact CE-CG 4.18Å; M125-M192 HydrophobicContact CE-SD 4.26Å; M125-M192 HydrophobicContact CG-CG 4.34Å; M125-M192 HydrophobicContact CG-SD 3.78Å
126M98.5Very high97.1Very high0 Ų029.8 Ų29.80%016%0.159CC..Hα-helixtrans-65.8-42178.1-170.267.6167.600112.5C64 F66 V89 I91 L104 V122 T123 R124 S128 Y129 G130C64-M126 HydrophobicContact CB-CE 4.2Å; C64-M126 WeakPolarHBondContact O-CE 3.33Å; F66-M126 HydrophobicContact CD2-CE 3.98Å; F66-M126 HydrophobicContact CD2-SD 3.65Å; F66-M126 HydrophobicContact CE2-CE 4.34Å; F66-M126 HydrophobicContact CE2-SD 3.97Å; V89-M126 HydrophobicContact CG1-CB 4.41Å; V89-M126 HydrophobicContact CG1-CG 4.45Å; V89-M126 HydrophobicContact CG1-SD 4.17Å; V89-M126 HydrophobicContact CG2-CB 3.59Å; V89-M126 HydrophobicContact CG2-CG 3.53Å; V89-M126 HydrophobicContact CG2-SD 4.21Å; I91-M126 HydrophobicContact CB-CE 3.75Å; I91-M126 HydrophobicContact CD1-CE 3.78Å; I91-M126 HydrophobicContact CD1-CG 3.8Å; I91-M126 HydrophobicContact CD1-SD 4.31Å; I91-M126 HydrophobicContact CG1-CE 3.57Å; I91-M126 HydrophobicContact CG1-CG 3.95Å; L104-M126 HydrophobicContact CD1-CB 4.13Å; L104-M126 HydrophobicContact CD1-CG 3.66Å; V122-M126 WeakPolarHBondContact O-CB 3.4Å; V122-M126 PolarHBondContact O-N 2.69Å; T123-M126 PolarHBondContact O-N 2.85Å; R124-M126 VanDerWaalsContact C-N 3.34Å; R124-M126 PolarHBondContact O-N 2.99Å; M126-S128 VanDerWaalsContact C-N 3.29Å; M126-S128 PolarHBondContact O-N 2.83Å; M126-Y129 WeakPolarHBondContact O-CB 3.43Å; M126-Y129 PolarHBondContact O-N 3.12Å; M126-G130 PolarHBondContact O-N 2.98Å
127M98.5Very high97.3Very high5 Ų528 Ų283%0.02515%0.154CC..Hα-helixtrans-60.5-41.6174.8-73.2170.165.100111.4L104 T123 R124 Y129 G130 I131 F139 F159 L175 L185L104-M127 HydrophobicContact CD2-CG 3.56Å; L104-M127 HydrophobicContact CD2-SD 4.24Å; T123-M127 HydrophobicContact CG2-CG 4.41Å; T123-M127 HydrophobicContact CG2-SD 3.93Å; T123-M127 WeakPolarHBondContact O-CB 3.29Å; T123-M127 WeakPolarHBondContact O-CG 3.19Å; T123-M127 PolarHBondContact O-N 2.91Å; R124-M127 PolarHBondContact O-N 3.14Å; M127-Y129 VanDerWaalsContact C-N 3.32Å; M127-Y129 PolarHBondContact O-N 2.99Å; M127-G130 PolarHBondContact O-N 3.43Å; M127-I131 WeakPolarHBondContact O-CD1 3.36Å; M127-I131 VanDerWaalsContact O-CG1 3.28Å; M127-I131 WeakPolarHBondContact O-CG1 3.5Å; M127-I131 PolarHBondContact O-N 2.93Å; M127-F139 HydrophobicContact CB-CE1 4.4Å; M127-F139 HydrophobicContact CB-CE2 4.06Å; M127-F139 HydrophobicContact CB-CZ 3.88Å; M127-F139 HydrophobicContact CE-CD2 4.06Å; M127-F139 HydrophobicContact CE-CE2 4.23Å; M127-F139 HydrophobicContact CG-CD1 4.3Å; M127-F139 HydrophobicContact CG-CD2 4.29Å; M127-F139 HydrophobicContact CG-CE1 4.07Å; M127-F139 HydrophobicContact CG-CE2 4.06Å; M127-F139 HydrophobicContact CG-CG 4.4Å; M127-F139 HydrophobicContact CG-CZ 3.95Å; M127-F159 HydrophobicContact CE-CE2 4.01Å; M127-F159 HydrophobicContact CE-CZ 4.3Å; M127-F159 HydrophobicContact SD-CE2 3.86Å; M127-F159 HydrophobicContact SD-CZ 4.12Å; M127-L175 HydrophobicContact CE-CD2 3.41Å; M127-L175 VanDerWaalsContact CE-CD2 3.41Å; M127-L185 HydrophobicContact CB-CD2 3.72Å
128S98.3Very high97.5Very high12 Ų1228 Ų288%0.08414%0.143CC..Hα-helixtrans-61.9-43.4177.2-176.40000110.8R124 M125 M126 T132R124-S128 WeakPolarHBondContact O-CB 3.5Å; R124-S128 PolarHBondContact O-N 3.15Å; M125-S128 WeakPolarHBondContact O-CB 3.25Å; M125-S128 PolarHBondContact O-N 3.45Å; M126-S128 VanDerWaalsContact C-N 3.29Å; M126-S128 PolarHBondContact O-N 2.83Å; S128-T132 WeakPolarHBondContact O-CB 3.49Å; S128-T132 WeakPolarHBondContact O-CG2 3.26Å; S128-T132 PolarHBondContact O-N 3.17Å; S128-T132 PolarHBondContact O-OG1 3.12Å
129Y98.2Very high97.5Very high3 Ų327.6 Ų27.61%0.01214%0.141CC..Hα-helixtrans-62-47.9174-173.8-90.5000111.8N4 T7 L9 F66 M125 M126 M127 I131 T132 K133 L134N4-Y129 WeakPolarHBondContact CB-OH 3.37Å; T7-Y129 HydrophobicContact CG2-CE2 3.97Å; L9-Y129 HydrophobicContact CD1-CD2 3.9Å; L9-Y129 HydrophobicContact CD1-CG 4.18Å; L9-Y129 HydrophobicContact CD2-CD2 4.27Å; F66-Y129 HydrophobicContact CE2-CD1 4.05Å; F66-Y129 HydrophobicContact CE2-CE1 4.06Å; F66-Y129 HydrophobicContact CE2-CG 4.31Å; F66-Y129 HydrophobicContact CZ-CD2 4.34Å; F66-Y129 HydrophobicContact CZ-CE1 4.3Å; F66-Y129 HydrophobicContact CZ-CE2 4.09Å; M125-Y129 PolarHBondContact O-N 3.43Å; M126-Y129 WeakPolarHBondContact O-CB 3.43Å; M126-Y129 PolarHBondContact O-N 3.12Å; M127-Y129 VanDerWaalsContact C-N 3.32Å; M127-Y129 PolarHBondContact O-N 2.99Å; Y129-I131 VanDerWaalsContact C-N 3.34Å; Y129-I131 PolarHBondContact O-N 3.15Å; Y129-T132 PolarHBondContact O-N 2.97Å; Y129-T132 PolarHBondContact O-OG1 2.87Å; Y129-K133 HydrophobicContact CD1-CB 4.34Å; Y129-K133 HydrophobicContact CD2-CB 4.34Å; Y129-K133 HydrophobicContact CD2-CG 3.72Å; Y129-K133 HydrophobicContact CE1-CB 4.02Å; Y129-K133 HydrophobicContact CE1-CG 4.41Å; Y129-K133 HydrophobicContact CE2-CB 4.04Å; Y129-K133 HydrophobicContact CE2-CD 4.48Å; Y129-K133 HydrophobicContact CE2-CG 3.55Å; Y129-K133 HydrophobicContact CG-CB 4.48Å; Y129-K133 HydrophobicContact CG-CG 4.23Å; Y129-K133 WeakPolarHBondContact O-CB 3.34Å; Y129-K133 PolarHBondContact O-N 3.26Å; Y129-L134 HydrophobicContact CD1-CG 4.46Å; Y129-L134 HydrophobicContact CE1-CD1 4.44Å; Y129-L134 HydrophobicContact CE1-CD2 4.36Å; Y129-L134 HydrophobicContact CE1-CG 4.23Å
130G97.7Very high97.6Very high0 Ų028.3 Ų28.30%014%0.141CC..Iπ-helixtrans-57.7-42.9177.800000113M126 M127 L134 G135 V136M126-G130 PolarHBondContact O-N 2.98Å; M127-G130 PolarHBondContact O-N 3.43Å; G130-L134 CarbonylContact O-C 3.56Å; G130-L134 WeakPolarHBondContact O-CA 3.39Å; G130-L134 WeakPolarHBondContact O-CB 3.29Å; G130-L134 PolarHBondContact O-N 2.96Å; G130-L134 VanDerWaalsContact O-N 3.15Å; G130-G135 PolarHBondContact O-N 2.9Å; G130-V136 WeakPolarHBondContact O-CG2 3.42Å; G130-V136 PolarHBondContact O-N 2.78Å
131I97.4Very high97.6Very high11 Ų1124.8 Ų24.86%0.05613%0.126CC..Iπ-helixtrans-68.3-43.5178.2-68.5162000111.5M127 Y129 F139 V177 L185M127-I131 WeakPolarHBondContact O-CD1 3.36Å; M127-I131 VanDerWaalsContact O-CG1 3.28Å; M127-I131 WeakPolarHBondContact O-CG1 3.5Å; M127-I131 PolarHBondContact O-N 2.93Å; Y129-I131 VanDerWaalsContact C-N 3.34Å; Y129-I131 PolarHBondContact O-N 3.15Å; I131-F139 HydrophobicContact CD1-CE2 3.97Å; I131-F139 HydrophobicContact CG1-CE2 3.77Å; I131-F139 HydrophobicContact CG1-CZ 4.03Å; I131-V177 HydrophobicContact CD1-CB 4.46Å; I131-V177 HydrophobicContact CD1-CG1 3.61Å; I131-V177 HydrophobicContact CD1-CG2 3.94Å; I131-V177 HydrophobicContact CG1-CG1 3.93Å; I131-V177 HydrophobicContact CG1-CG2 4.01Å; I131-V177 HydrophobicContact CG2-CG1 4.42Å; I131-L185 HydrophobicContact CD1-CD2 3.58Å
132T95.9Very high97.4Very high80 Ų8027.5 Ų27.549%0.49114%0.138SC..Iπ-helixtrans-87.1-30.8-169.855.70000113.9S128 Y129S128-T132 WeakPolarHBondContact O-CB 3.49Å; S128-T132 WeakPolarHBondContact O-CG2 3.26Å; S128-T132 PolarHBondContact O-N 3.17Å; S128-T132 PolarHBondContact O-OG1 3.12Å; Y129-T132 PolarHBondContact O-N 2.97Å; Y129-T132 PolarHBondContact O-OG1 2.87Å
133K95.9Very high97.3Very high86 Ų8628 Ų2837%0.37414%0.14SC..Iπ-helixtrans-110.7-33.1-174.7-55.3-69.4-174.91530113.1Y129 E194Y129-K133 HydrophobicContact CD1-CB 4.34Å; Y129-K133 HydrophobicContact CD2-CB 4.34Å; Y129-K133 HydrophobicContact CD2-CG 3.72Å; Y129-K133 HydrophobicContact CE1-CB 4.02Å; Y129-K133 HydrophobicContact CE1-CG 4.41Å; Y129-K133 HydrophobicContact CE2-CB 4.04Å; Y129-K133 HydrophobicContact CE2-CD 4.48Å; Y129-K133 HydrophobicContact CE2-CG 3.55Å; Y129-K133 HydrophobicContact CG-CB 4.48Å; Y129-K133 HydrophobicContact CG-CG 4.23Å; Y129-K133 WeakPolarHBondContact O-CB 3.34Å; Y129-K133 PolarHBondContact O-N 3.26Å; K133-E194 WeakPolarHBondContact CE-OE2 3.41Å; K133-E194 IonicContact NZ-OE1 3.32Å; K133-E194 PolarHBondContact NZ-OE1 3.15Å; K133-E194 IonicContact NZ-OE2 3.29Å; K133-E194 PolarHBondContact NZ-OE2 2.94Å
134L95.3Very high97.1Very high31 Ų3129.2 Ų29.216%0.16215%0.152CC..Iπ-helixtrans-101.9-10.1-179.1-51.1-179.7000112.8M1 I3 C64 I91 Y129 G130 V136M1-L134 HydrophobicContact CE-CD2 4.37Å; M1-L134 HydrophobicContact SD-CD2 3.87Å; I3-L134 HydrophobicContact CD1-CD2 4.12Å; I3-L134 HydrophobicContact CG2-CD2 3.95Å; C64-L134 HydrophobicContact CB-CD1 3.96Å; I91-L134 HydrophobicContact CB-CD1 4.32Å; I91-L134 HydrophobicContact CD1-CD1 4.14Å; I91-L134 HydrophobicContact CG2-CD1 3.79Å; Y129-L134 HydrophobicContact CD1-CG 4.46Å; Y129-L134 HydrophobicContact CE1-CD1 4.44Å; Y129-L134 HydrophobicContact CE1-CD2 4.36Å; Y129-L134 HydrophobicContact CE1-CG 4.23Å; G130-L134 CarbonylContact O-C 3.56Å; G130-L134 WeakPolarHBondContact O-CA 3.39Å; G130-L134 WeakPolarHBondContact O-CB 3.29Å; G130-L134 PolarHBondContact O-N 2.96Å; G130-L134 VanDerWaalsContact O-N 3.15Å; L134-V136 VanDerWaalsContact C-N 3.29Å; L134-V136 HydrophobicContact CB-CG2 4.05Å; L134-V136 PolarHBondContact O-N 2.8Å
135G95.5Very high96.9Very high33 Ų3328.9 Ų28.934%0.3416%0.156SC..  trans73.517.6178.500000114.4F100 G130 K137F100-G135 WeakPolarHBondContact CD1-O 3.41Å; G130-G135 PolarHBondContact O-N 2.9Å; G135-K137 PolarHBondContact O-N 2.93Å
136V97.4Very high96.5Very high0 Ų033.4 Ų33.40%018%0.18CC..  trans-58.3133.4-178.9178.10000110.7L93 A102 G130 L134 K138 F139L93-V136 HydrophobicContact CD2-CG2 4.36Å; A102-V136 HydrophobicContact CB-CB 4.34Å; A102-V136 HydrophobicContact CB-CG1 3.69Å; A102-V136 HydrophobicContact CB-CG2 3.62Å; G130-V136 WeakPolarHBondContact O-CG2 3.42Å; G130-V136 PolarHBondContact O-N 2.78Å; L134-V136 VanDerWaalsContact C-N 3.29Å; L134-V136 HydrophobicContact CB-CG2 4.05Å; L134-V136 PolarHBondContact O-N 2.8Å; V136-K138 VanDerWaalsContact CG1-O 3.32Å; V136-K138 WeakPolarHBondContact CG1-O 3.19Å; V136-F139 HydrophobicContact CB-CE1 4.23Å; V136-F139 HydrophobicContact CB-CE2 4.39Å; V136-F139 HydrophobicContact CB-CZ 3.91Å; V136-F139 HydrophobicContact CG1-CD1 3.92Å; V136-F139 HydrophobicContact CG1-CD2 4.03Å; V136-F139 HydrophobicContact CG1-CE1 3.64Å; V136-F139 HydrophobicContact CG1-CE2 3.74Å; V136-F139 HydrophobicContact CG1-CG 4.12Å; V136-F139 HydrophobicContact CG1-CZ 3.53Å; V136-F139 HydrophobicContact CG2-CE1 4.48Å
137K97.5Very high96.3Very high102 Ų10234.6 Ų34.644%0.44319%0.187SC..  trans-118.5-14.1175.6-56.4-178.2-175.3171.40113.2F100 G135 V177F100-K137 HydrophobicContact CB-CB 3.94Å; F100-K137 HydrophobicContact CB-CD 4.16Å; F100-K137 HydrophobicContact CB-CG 3.98Å; F100-K137 HydrophobicContact CD1-CD 3.97Å; F100-K137 HydrophobicContact CD1-CG 4.1Å; F100-K137 HydrophobicContact CG-CD 3.99Å; F100-K137 HydrophobicContact CG-CG 4.22Å; F100-K137 PolarHBondContact O-N 2.96Å; G135-K137 PolarHBondContact O-N 2.93Å; K137-V177 WeakPolarHBondContact O-CB 3.42Å; K137-V177 WeakPolarHBondContact O-CG2 3.3Å; K137-V177 PolarHBondContact O-N 2.83Å
138K97.8Very high96Very high43 Ų4339.9 Ų39.919%0.18721%0.211CC..EExtended strand (participates in β ladder)trans-139125.8176.3-175.3177.2175.2-171.10109F100 L101 A102 V136 E174 L175 M176F100-K138 PolarHBondContact O-N 2.86Å; L101-K138 WeakPolarHBondContact CA-O 3.31Å; L101-K138 HydrophobicContact CD1-CB 4.07Å; L101-K138 HydrophobicContact CD1-CD 3.85Å; L101-K138 HydrophobicContact CD1-CG 3.74Å; A102-K138 PolarHBondContact N-O 3.01Å; V136-K138 VanDerWaalsContact CG1-O 3.32Å; V136-K138 WeakPolarHBondContact CG1-O 3.19Å; K138-E174 VanDerWaalsContact CE-OE1 3.26Å; K138-E174 WeakPolarHBondContact CE-OE1 3.5Å; K138-E174 WeakPolarHBondContact CE-OE2 3.49Å; K138-E174 IonicContact NZ-OE1 2.74Å; K138-E174 PolarHBondContact NZ-OE1 2.79Å; K138-E174 IonicContact NZ-OE2 3.62Å; K138-E174 PolarHBondContact NZ-OE2 2.87Å; K138-L175 WeakPolarHBondContact CA-O 3.29Å; K138-M176 HydrophobicContact CB-CE 4.45Å; K138-M176 HydrophobicContact CB-SD 3.8Å; K138-M176 HydrophobicContact CD-SD 3.55Å; K138-M176 VanDerWaalsContact CD-SD 3.55Å; K138-M176 HydrophobicContact CG-SD 3.53Å; K138-M176 VanDerWaalsContact CG-SD 3.53Å
139F98.3Very high95.8Very high0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-100.7144.2170.2-69.1-82.2000110I91 A102 L104 M127 I131 V136 F159 E174 L175 V177I91-F139 HydrophobicContact CD1-CE1 3.97Å; A102-F139 HydrophobicContact CB-CD1 4.23Å; A102-F139 HydrophobicContact CB-CE1 4.39Å; A102-F139 CarbonylContact O-C 3.55Å; A102-F139 WeakPolarHBondContact O-CA 3.29Å; L104-F139 HydrophobicContact CB-CD1 4.19Å; L104-F139 HydrophobicContact CD2-CD1 4.12Å; M127-F139 HydrophobicContact CB-CE1 4.4Å; M127-F139 HydrophobicContact CB-CE2 4.06Å; M127-F139 HydrophobicContact CB-CZ 3.88Å; M127-F139 HydrophobicContact CE-CD2 4.06Å; M127-F139 HydrophobicContact CE-CE2 4.23Å; M127-F139 HydrophobicContact CG-CD1 4.3Å; M127-F139 HydrophobicContact CG-CD2 4.29Å; M127-F139 HydrophobicContact CG-CE1 4.07Å; M127-F139 HydrophobicContact CG-CE2 4.06Å; M127-F139 HydrophobicContact CG-CG 4.4Å; M127-F139 HydrophobicContact CG-CZ 3.95Å; I131-F139 HydrophobicContact CD1-CE2 3.97Å; I131-F139 HydrophobicContact CG1-CE2 3.77Å; I131-F139 HydrophobicContact CG1-CZ 4.03Å; V136-F139 HydrophobicContact CB-CE1 4.23Å; V136-F139 HydrophobicContact CB-CE2 4.39Å; V136-F139 HydrophobicContact CB-CZ 3.91Å; V136-F139 HydrophobicContact CG1-CD1 3.92Å; V136-F139 HydrophobicContact CG1-CD2 4.03Å; V136-F139 HydrophobicContact CG1-CE1 3.64Å; V136-F139 HydrophobicContact CG1-CE2 3.74Å; V136-F139 HydrophobicContact CG1-CG 4.12Å; V136-F139 HydrophobicContact CG1-CZ 3.53Å; V136-F139 HydrophobicContact CG2-CE1 4.48Å; F139-F159 HydrophobicContact CB-CE1 3.6Å; F139-F159 HydrophobicContact CB-CZ 3.61Å; F139-F159 HydrophobicContact CG-CZ 4.36Å; F139-E174 CarbonylContact O-C 3.17Å; F139-E174 VanDerWaalsContact O-CA 3.26Å; F139-E174 WeakPolarHBondContact O-CA 3.46Å; F139-L175 PolarHBondContact N-O 2.79Å; F139-L175 PolarHBondContact O-N 3.38Å; F139-V177 HydrophobicContact CD2-CG2 3.77Å; F139-V177 HydrophobicContact CE2-CG2 3.68Å
140Q97.6Very high95.6Very high25 Ų2545.9 Ų45.912%0.11725%0.248CC..EExtended strand (participates in β ladder)trans-127.9144170.6-176.2176.594.700108.9L101 A102 E103 L104 T172 L173 E174L101-Q140 HydrophobicContact CD1-CB 3.97Å; A102-Q140 PolarHBondContact O-N 2.93Å; E103-Q140 CarbonylContact C-O 3.34Å; E103-Q140 VanDerWaalsContact CA-O 3.29Å; E103-Q140 WeakPolarHBondContact CA-O 3.4Å; L104-Q140 PolarHBondContact N-O 2.82Å; Q140-T172 VanDerWaalsContact CD-CG2 3.42Å; Q140-T172 HydrophobicContact CG-CG2 3.47Å; Q140-T172 VanDerWaalsContact CG-CG2 3.47Å; Q140-L173 CarbonylContact C-O 3.57Å; Q140-L173 VanDerWaalsContact CA-O 3.27Å; Q140-L173 WeakPolarHBondContact CA-O 3.42Å; Q140-E174 HydrophobicContact CB-CG 4.36Å; Q140-E174 HydrophobicContact CG-CG 4.12Å; Q140-E174 PolarHBondContact NE2-OE1 2.86Å
141A97.3Very high95.6Very high1 Ų146.4 Ų46.41%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-132.9124.9171.400000108.4I143 F154 L173A141-I143 HydrophobicContact CB-CD1 4.28Å; A141-I143 HydrophobicContact CB-CG1 4.33Å; A141-F154 HydrophobicContact CB-CD1 3.83Å; A141-F154 HydrophobicContact CB-CD2 4.39Å; A141-F154 HydrophobicContact CB-CE1 3.55Å; A141-F154 HydrophobicContact CB-CE2 4.15Å; A141-F154 HydrophobicContact CB-CG 4.24Å; A141-F154 HydrophobicContact CB-CZ 3.72Å; A141-L173 PolarHBondContact N-O 3.16Å; A141-L173 PolarHBondContact O-N 3.22Å
142K95.4Very high95.5Very high74 Ų7448.2 Ų48.232%0.32227%0.265SS..EExtended strand (participates in β ladder)trans-100.4123.2175.6-73.9-173.3-157.3130.10108.9E103 E170 T172E103-K142 VanDerWaalsContact CD-NZ 3.31Å; E103-K142 WeakPolarHBondContact OE1-CD 3.48Å; E103-K142 WeakPolarHBondContact OE1-CG 3.4Å; E103-K142 IonicContact OE1-NZ 3.14Å; E103-K142 PolarHBondContact OE1-NZ 3.42Å; E103-K142 VanDerWaalsContact OE1-NZ 3.14Å; E103-K142 IonicContact OE2-NZ 2.75Å; E103-K142 PolarHBondContact OE2-NZ 2.61Å; K142-E170 VanDerWaalsContact CB-CD 3.49Å; K142-E170 HydrophobicContact CB-CG 4.24Å; K142-E170 WeakPolarHBondContact CB-OE1 3.25Å; K142-E170 VanDerWaalsContact CD-OE1 3.27Å; K142-E170 WeakPolarHBondContact CD-OE1 3.44Å; K142-E170 VanDerWaalsContact CG-OE1 3.32Å; K142-E170 WeakPolarHBondContact CG-OE1 3.22Å; K142-T172 HydrophobicContact CG-CG2 4.39Å
143I95.5Very high95.6Very high10 Ų1045.7 Ų45.75%0.05125%0.248CC..EExtended strand (participates in β ladder)trans-138.4127.8-168.6-50174.8000109.6A141 L145 N147 I151 F154 E170 A171 L173A141-I143 HydrophobicContact CB-CD1 4.28Å; A141-I143 HydrophobicContact CB-CG1 4.33Å; I143-L145 PolarHBondContact O-N 2.63Å; I143-N147 HydrophobicContact CG2-CB 3.86Å; I143-I151 HydrophobicContact CB-CG1 4.11Å; I143-I151 HydrophobicContact CD1-CG1 4.34Å; I143-I151 HydrophobicContact CG2-CD1 4.45Å; I143-I151 HydrophobicContact CG2-CG1 3.76Å; I143-F154 HydrophobicContact CD1-CB 4.33Å; I143-F154 HydrophobicContact CD1-CD2 3.43Å; I143-F154 VanDerWaalsContact CD1-CD2 3.43Å; I143-F154 HydrophobicContact CD1-CE2 3.94Å; I143-F154 HydrophobicContact CD1-CG 4.05Å; I143-E170 CarbonylContact O-C 3.54Å; I143-E170 WeakPolarHBondContact O-CA 3.37Å; I143-E170 WeakPolarHBondContact O-CG 3.27Å; I143-A171 PolarHBondContact N-O 3.09Å; I143-A171 PolarHBondContact O-N 2.79Å; I143-L173 HydrophobicContact CD1-CD1 3.81Å
144G94.5Very high95.7Very high25 Ų2541.9 Ų41.926%0.25823%0.231SC..EExtended strand (participates in β ladder)trans-52.9138.1172.200000112.2D146 N147G144-D146 PolarHBondContact O-N 3.07Å; G144-D146 VanDerWaalsContact O-N 3.15Å; G144-N147 PolarHBondContact O-N 2.84Å
145L92.9Very high95.7Very high66 Ų6645 Ų4535%0.34624%0.243SC..THydrogen-bonded Turntrans-62.9-20.1-177.6-74.5179.2000113.4I143 Q148 V164 K169 A171I143-L145 PolarHBondContact O-N 2.63Å; L145-Q148 PolarHBondContact O-NE2 2.84Å; L145-V164 HydrophobicContact CD1-CG1 4.05Å; L145-V164 HydrophobicContact CD2-CG1 4.01Å; L145-K169 WeakPolarHBondContact CB-O 3.5Å; L145-K169 HydrophobicContact CD1-CB 4.36Å; L145-K169 WeakPolarHBondContact CG-O 3Å; L145-K169 PolarHBondContact N-O 2.94Å; L145-A171 HydrophobicContact CD2-CB 3.96Å
146D92.1Very high95.8Very high95 Ų9549.7 Ų49.751%0.50826%0.255SS..THydrogen-bonded Turntrans-80.1-22.7173.257.9-13.6000112.9Q38 G144 Q148Q38-D146 PolarHBondContact NE2-OD2 2.82Å; G144-D146 PolarHBondContact O-N 3.07Å; G144-D146 VanDerWaalsContact O-N 3.15Å; D146-Q148 PolarHBondContact O-N 2.81Å
147N93Very high95.7Very high25 Ų2550.5 Ų50.513%0.13426%0.259CS..  trans-82.662.4178.4-167-8.9000112.4L39 I143 G144 V149 S150 I151L39-N147 HydrophobicContact CD2-CB 4.01Å; I143-N147 HydrophobicContact CG2-CB 3.86Å; G144-N147 PolarHBondContact O-N 2.84Å; N147-V149 PolarHBondContact O-N 2.67Å; N147-V149 VanDerWaalsContact O-N 3.16Å; N147-S150 PolarHBondContact ND2-OG 2.95Å; N147-S150 VanDerWaalsContact ND2-OG 3.15Å; N147-S150 PolarHBondContact O-N 2.71Å; N147-S150 WeakPolarHBondContact OD1-CB 3.25Å; N147-S150 PolarHBondContact OD1-N 3.3Å; N147-S150 PolarHBondContact OD1-OG 3.32Å; N147-I151 WeakPolarHBondContact O-CG1 3.39Å; N147-I151 PolarHBondContact O-N 3.25Å; N147-I151 VanDerWaalsContact O-N 3.09Å
148Q93.1Very high95.6Very high115 Ų11551 Ų5154%0.53726%0.262SS..Hα-helixtrans-60.4-25.4178.9-67.6-61.7-4700113.1L145 D146 S152L145-Q148 PolarHBondContact O-NE2 2.84Å; D146-Q148 PolarHBondContact O-N 2.81Å; Q148-S152 VanDerWaalsContact O-CB 3.23Å; Q148-S152 WeakPolarHBondContact O-CB 3.46Å; Q148-S152 PolarHBondContact O-N 3.27Å
149V93.6Very high95.6Very high118 Ų11849 Ų4972%0.71525%0.254SS*.Hα-helixtrans-66-51176.8178.10000110.4N147 S152 M153N147-V149 PolarHBondContact O-N 2.67Å; N147-V149 VanDerWaalsContact O-N 3.16Å; V149-S152 PolarHBondContact O-N 3.49Å; V149-M153 PolarHBondContact O-N 3.06Å
150S95Very high95.6Very high24 Ų2455.2 Ų55.217%0.16828%0.283CS..Hα-helixtrans-65.8-43.4177-70.30000111.5N147 S152 M153 F154N147-S150 PolarHBondContact ND2-OG 2.95Å; N147-S150 VanDerWaalsContact ND2-OG 3.15Å; N147-S150 PolarHBondContact O-N 2.71Å; N147-S150 WeakPolarHBondContact OD1-CB 3.25Å; N147-S150 PolarHBondContact OD1-N 3.3Å; N147-S150 PolarHBondContact OD1-OG 3.32Å; S150-S152 VanDerWaalsContact C-N 3.32Å; S150-S152 PolarHBondContact O-N 3.43Å; S150-M153 WeakPolarHBondContact O-CA 3.37Å; S150-M153 WeakPolarHBondContact O-CB 3.25Å; S150-M153 PolarHBondContact O-N 2.81Å; S150-F154 WeakPolarHBondContact O-CD2 3.48Å; S150-F154 PolarHBondContact O-N 2.82Å
151I96.1Very high95.5Very high10 Ų1058.9 Ų58.95%0.05130%0.3CS..Hα-helixtrans-56.3-47.5175.9-66.1169.4000110.8I143 N147 M153 F154 K155 A171I143-I151 HydrophobicContact CB-CG1 4.11Å; I143-I151 HydrophobicContact CD1-CG1 4.34Å; I143-I151 HydrophobicContact CG2-CD1 4.45Å; I143-I151 HydrophobicContact CG2-CG1 3.76Å; N147-I151 WeakPolarHBondContact O-CG1 3.39Å; N147-I151 PolarHBondContact O-N 3.25Å; N147-I151 VanDerWaalsContact O-N 3.09Å; I151-M153 VanDerWaalsContact C-N 3.3Å; I151-M153 PolarHBondContact O-N 3.13Å; I151-F154 PolarHBondContact O-N 3.37Å; I151-K155 HydrophobicContact CG2-CD 4.04Å; I151-K155 HydrophobicContact CG2-CG 4.49Å; I151-K155 WeakPolarHBondContact O-CB 3.45Å; I151-K155 WeakPolarHBondContact O-CG 3.34Å; I151-K155 PolarHBondContact O-N 3.04Å; I151-A171 HydrophobicContact CD1-CB 4.48Å
152S96.4Very high95.4Very high50 Ų5061.4 Ų61.435%0.3532%0.321SS..Hα-helixtrans-62.7-37177.4-170.10000112.3Q148 V149 S150 K156Q148-S152 VanDerWaalsContact O-CB 3.23Å; Q148-S152 WeakPolarHBondContact O-CB 3.46Å; Q148-S152 PolarHBondContact O-N 3.27Å; V149-S152 PolarHBondContact O-N 3.49Å; S150-S152 VanDerWaalsContact C-N 3.32Å; S150-S152 PolarHBondContact O-N 3.43Å; S152-K156 WeakPolarHBondContact O-CD 3.46Å; S152-K156 VanDerWaalsContact O-CG 3.25Å; S152-K156 WeakPolarHBondContact O-CG 3.31Å; S152-K156 PolarHBondContact O-N 2.72Å; S152-K156 VanDerWaalsContact O-N 3.14Å; S152-K156 PolarHBondContact OG-NZ 3.3Å
153M96.9Very high95.4Very high26 Ų2660.8 Ų60.813%0.12833%0.326CS..Hα-helixtrans-63.8-52.2177-176.1-177.175.200111.4K120 V149 S150 I151 K156 L157K120-M153 HydrophobicContact CG-CG 3.7Å; K120-M153 HydrophobicContact CG-SD 4.2Å; V149-M153 PolarHBondContact O-N 3.06Å; S150-M153 WeakPolarHBondContact O-CA 3.37Å; S150-M153 WeakPolarHBondContact O-CB 3.25Å; S150-M153 PolarHBondContact O-N 2.81Å; I151-M153 VanDerWaalsContact C-N 3.3Å; I151-M153 PolarHBondContact O-N 3.13Å; M153-K156 WeakPolarHBondContact O-CB 3.42Å; M153-K156 PolarHBondContact O-N 2.87Å; M153-K156 VanDerWaalsContact O-N 3.15Å; M153-L157 HydrophobicContact CG-CD1 4.46Å; M153-L157 PolarHBondContact O-N 2.98Å; M153-L157 VanDerWaalsContact O-N 3.11Å
154F97.9Very high95.3Very high7 Ų763.8 Ų63.83%0.03135%0.345CS..Hα-helixtrans-65.3-39.3-179.1-84.3-84.4000112.2L104 T123 A141 I143 S150 I151 K156 L157 Q158 F159 L173L104-F154 HydrophobicContact CD2-CE1 4.25Å; T123-F154 HydrophobicContact CG2-CE1 4.02Å; T123-F154 HydrophobicContact CG2-CZ 4.34Å; A141-F154 HydrophobicContact CB-CD1 3.83Å; A141-F154 HydrophobicContact CB-CD2 4.39Å; A141-F154 HydrophobicContact CB-CE1 3.55Å; A141-F154 HydrophobicContact CB-CE2 4.15Å; A141-F154 HydrophobicContact CB-CG 4.24Å; A141-F154 HydrophobicContact CB-CZ 3.72Å; I143-F154 HydrophobicContact CD1-CB 4.33Å; I143-F154 HydrophobicContact CD1-CD2 3.43Å; I143-F154 VanDerWaalsContact CD1-CD2 3.43Å; I143-F154 HydrophobicContact CD1-CE2 3.94Å; I143-F154 HydrophobicContact CD1-CG 4.05Å; S150-F154 WeakPolarHBondContact O-CD2 3.48Å; S150-F154 PolarHBondContact O-N 2.82Å; I151-F154 PolarHBondContact O-N 3.37Å; F154-K156 VanDerWaalsContact C-N 3.28Å; F154-K156 PolarHBondContact O-N 3.37Å; F154-L157 CarbonylContact O-C 3.6Å; F154-L157 WeakPolarHBondContact O-CA 3.38Å; F154-L157 WeakPolarHBondContact O-CB 3.45Å; F154-L157 PolarHBondContact O-N 3.47Å; F154-Q158 PolarHBondContact O-N 3.48Å; F154-F159 HydrophobicContact CB-CB 4.17Å; F154-F159 HydrophobicContact CB-CG 4.3Å; F154-F159 AromaticContact CD1-CD1 3.89Å; F154-F159 HydrophobicContact CD1-CD1 3.89Å; F154-F159 AromaticContact CD1-CD2 3.77Å; F154-F159 HydrophobicContact CD1-CD2 3.77Å; F154-F159 AromaticContact CD1-CE1 3.92Å; F154-F159 HydrophobicContact CD1-CE1 3.92Å; F154-F159 AromaticContact CD1-CE2 3.8Å; F154-F159 HydrophobicContact CD1-CE2 3.8Å; F154-F159 AromaticContact CD1-CG 3.83Å; F154-F159 HydrophobicContact CD1-CG 3.83Å; F154-F159 AromaticContact CD1-CZ 3.87Å; F154-F159 HydrophobicContact CD1-CZ 3.87Å; F154-F159 HydrophobicContact CE1-CE1 4.13Å; F154-F159 HydrophobicContact CE1-CE2 4.22Å; F154-F159 AromaticContact CE1-CZ 3.96Å; F154-F159 HydrophobicContact CE1-CZ 3.96Å; F154-F159 WeakPolarHBondContact O-CB 3.23Å; F154-F159 PolarHBondContact O-N 3.02Å; F154-F159 VanDerWaalsContact O-N 3.12Å; F154-L173 HydrophobicContact CB-CD1 3.5Å; F154-L173 HydrophobicContact CG-CD1 4.39Å
155K96.8Very high95Very high96 Ų9664.5 Ų64.542%0.41735%0.345SS..Hα-helixtrans-59.7-37.2172.2-73.3-176.3176.8-178.80112.3I151 L157 Q158 E161I151-K155 HydrophobicContact CG2-CD 4.04Å; I151-K155 HydrophobicContact CG2-CG 4.49Å; I151-K155 WeakPolarHBondContact O-CB 3.45Å; I151-K155 WeakPolarHBondContact O-CG 3.34Å; I151-K155 PolarHBondContact O-N 3.04Å; K155-L157 VanDerWaalsContact C-N 3.26Å; K155-L157 PolarHBondContact O-N 3.34Å; K155-Q158 PolarHBondContact O-N 3.13Å; K155-E161 IonicContact NZ-OE2 2.76Å; K155-E161 PolarHBondContact NZ-OE2 3.34Å
156K95.8Very high94.5Very high132 Ų13266.1 Ų66.157%0.57436%0.362SS*.Hα-helixtrans-70.3-20.9173.3-71.9169.7-170.5167.60113.4S152 M153 F154S152-K156 WeakPolarHBondContact O-CD 3.46Å; S152-K156 VanDerWaalsContact O-CG 3.25Å; S152-K156 WeakPolarHBondContact O-CG 3.31Å; S152-K156 PolarHBondContact O-N 2.72Å; S152-K156 VanDerWaalsContact O-N 3.14Å; S152-K156 PolarHBondContact OG-NZ 3.3Å; M153-K156 WeakPolarHBondContact O-CB 3.42Å; M153-K156 PolarHBondContact O-N 2.87Å; M153-K156 VanDerWaalsContact O-N 3.15Å; F154-K156 VanDerWaalsContact C-N 3.28Å; F154-K156 PolarHBondContact O-N 3.37Å
157L96Very high94.2Very high16 Ų1667.2 Ų67.28%0.08437%0.372CS..THydrogen-bonded Turntrans-88.816.9170.1-63.5173000111.9T123 R124 M153 F154 K155 F159T123-L157 HydrophobicContact CG2-CD1 3.5Å; T123-L157 VanDerWaalsContact CG2-CD1 3.5Å; R124-L157 HydrophobicContact CG-CD2 3.99Å; M153-L157 HydrophobicContact CG-CD1 4.46Å; M153-L157 PolarHBondContact O-N 2.98Å; M153-L157 VanDerWaalsContact O-N 3.11Å; F154-L157 CarbonylContact O-C 3.6Å; F154-L157 WeakPolarHBondContact O-CA 3.38Å; F154-L157 WeakPolarHBondContact O-CB 3.45Å; F154-L157 PolarHBondContact O-N 3.47Å; K155-L157 VanDerWaalsContact C-N 3.26Å; K155-L157 PolarHBondContact O-N 3.34Å; L157-F159 HydrophobicContact CB-CD2 4.02Å; L157-F159 HydrophobicContact CB-CE2 4.28Å; L157-F159 PolarHBondContact O-N 2.93Å
158Q96.1Very high93.7Very high112 Ų11273.7 Ų73.752%0.52340%0.399SS..THydrogen-bonded Turntrans69.47.9176.1-51.8179.9-62.100115.5F154 K155 Q160 L175F154-Q158 PolarHBondContact O-N 3.48Å; K155-Q158 PolarHBondContact O-N 3.13Å; Q158-Q160 PolarHBondContact O-N 2.68Å; Q158-Q160 PolarHBondContact O-NE2 3.01Å; Q158-L175 HydrophobicContact CB-CD1 4.34Å
159F97.9Very high93.6Very high1 Ų175.3 Ų75.30%0.00440%0.404CS..PPolyproline II helixtrans-61.8135.5169.4-74.6-116.4000109.9L104 M127 F139 F154 L157 L173 E174 L175L104-F159 HydrophobicContact CD2-CZ 4.4Å; M127-F159 HydrophobicContact CE-CE2 4.01Å; M127-F159 HydrophobicContact CE-CZ 4.3Å; M127-F159 HydrophobicContact SD-CE2 3.86Å; M127-F159 HydrophobicContact SD-CZ 4.12Å; F139-F159 HydrophobicContact CB-CE1 3.6Å; F139-F159 HydrophobicContact CB-CZ 3.61Å; F139-F159 HydrophobicContact CG-CZ 4.36Å; F154-F159 HydrophobicContact CB-CB 4.17Å; F154-F159 HydrophobicContact CB-CG 4.3Å; F154-F159 AromaticContact CD1-CD1 3.89Å; F154-F159 HydrophobicContact CD1-CD1 3.89Å; F154-F159 AromaticContact CD1-CD2 3.77Å; F154-F159 HydrophobicContact CD1-CD2 3.77Å; F154-F159 AromaticContact CD1-CE1 3.92Å; F154-F159 HydrophobicContact CD1-CE1 3.92Å; F154-F159 AromaticContact CD1-CE2 3.8Å; F154-F159 HydrophobicContact CD1-CE2 3.8Å; F154-F159 AromaticContact CD1-CG 3.83Å; F154-F159 HydrophobicContact CD1-CG 3.83Å; F154-F159 AromaticContact CD1-CZ 3.87Å; F154-F159 HydrophobicContact CD1-CZ 3.87Å; F154-F159 HydrophobicContact CE1-CE1 4.13Å; F154-F159 HydrophobicContact CE1-CE2 4.22Å; F154-F159 AromaticContact CE1-CZ 3.96Å; F154-F159 HydrophobicContact CE1-CZ 3.96Å; F154-F159 WeakPolarHBondContact O-CB 3.23Å; F154-F159 PolarHBondContact O-N 3.02Å; F154-F159 VanDerWaalsContact O-N 3.12Å; L157-F159 HydrophobicContact CB-CD2 4.02Å; L157-F159 HydrophobicContact CB-CE2 4.28Å; L157-F159 PolarHBondContact O-N 2.93Å; F159-L173 HydrophobicContact CB-CB 4Å; F159-L173 HydrophobicContact CD1-CB 4.28Å; F159-E174 CarbonylContact C-O 3.51Å; F159-E174 WeakPolarHBondContact CA-O 3.33Å; F159-L175 HydrophobicContact CD1-CB 3.81Å; F159-L175 HydrophobicContact CD2-CB 3.89Å; F159-L175 HydrophobicContact CD2-CD2 3.96Å; F159-L175 HydrophobicContact CD2-CG 4.48Å; F159-L175 HydrophobicContact CE1-CB 3.86Å; F159-L175 HydrophobicContact CE2-CB 3.94Å; F159-L175 HydrophobicContact CE2-CD2 3.67Å; F159-L175 HydrophobicContact CE2-CG 4.46Å; F159-L175 HydrophobicContact CG-CB 3.82Å; F159-L175 HydrophobicContact CZ-CB 3.93Å; F159-L175 HydrophobicContact CZ-CD2 4.21Å
160Q97.1Very high93.6Very high132 Ų13272 Ų7262%0.61738%0.381SS*.EExtended strand (participates in β ladder)trans-102.1147.5178.7-58.9-55.4-50.500110Q158 A162 L173 E174Q158-Q160 PolarHBondContact O-N 2.68Å; Q158-Q160 PolarHBondContact O-NE2 3.01Å; Q160-A162 PolarHBondContact O-N 3.48Å; Q160-L173 CarbonylContact O-C 3.12Å; Q160-L173 VanDerWaalsContact O-CA 3.26Å; Q160-L173 WeakPolarHBondContact O-CA 3.26Å; Q160-E174 PolarHBondContact N-O 3.28Å; Q160-E174 PolarHBondContact O-N 3.35Å
161E96.9Very high93.6Very high101 Ų10171 Ų7147%0.47237%0.374SS..EExtended strand (participates in β ladder)trans-73.4118.2175.2-167.6175114.600109.7K155 V164 L173K155-E161 IonicContact NZ-OE2 2.76Å; K155-E161 PolarHBondContact NZ-OE2 3.34Å; E161-V164 HydrophobicContact CG-CG2 4.22Å; E161-V164 WeakPolarHBondContact OE1-CG2 3.37Å; E161-L173 HydrophobicContact CB-CD2 3.8Å; E161-L173 HydrophobicContact CG-CD2 4.05Å
162A94.8Very high93.6Very high55 Ų5571 Ų7146%0.45538%0.375SS..EExtended strand (participates in β ladder)trans-94.5-41.8179.700000111.3Q160 T172 E174Q160-A162 PolarHBondContact O-N 3.48Å; A162-T172 PolarHBondContact N-O 3.43Å; A162-E174 HydrophobicContact CB-CB 4.25Å; A162-E174 HydrophobicContact CB-CG 3.65Å
163S95Very high93.7Very high60 Ų6068.7 Ų68.742%0.4236%0.358SS..EExtended strand (participates in β ladder)trans-155.7158.3178.354.50000112.4T172S163-T172 PolarHBondContact N-O 3.06Å; S163-T172 PolarHBondContact O-N 2.82Å; S163-T172 WeakPolarHBondContact OG-CB 2.91Å; S163-T172 PolarHBondContact OG-OG1 3.45Å
164V92.9Very high93.8Very high74 Ų7469.7 Ų69.745%0.44836%0.363SS..EExtended strand (participates in β ladder)trans-125.5126.1168.9176.60000108.3L145 E161 E170 A171L145-V164 HydrophobicContact CD1-CG1 4.05Å; L145-V164 HydrophobicContact CD2-CG1 4.01Å; E161-V164 HydrophobicContact CG-CG2 4.22Å; E161-V164 WeakPolarHBondContact OE1-CG2 3.37Å; V164-E170 CarbonylContact C-O 3.58Å; V164-E170 WeakPolarHBondContact CA-O 3.41Å; V164-A171 HydrophobicContact CG2-CB 4.32Å
165C88.1Confident93.8Very high40 Ų4070.1 Ų70.127%0.2737%0.365SS..EExtended strand (participates in β ladder)trans-100.6110.4173.7-170.90000110.4V167 F168 K169 E170C165-V167 VanDerWaalsContact C-N 3.3Å; C165-V167 PolarHBondContact O-N 2.87Å; C165-F168 HydrophobicContact CB-CB 4.4Å; C165-F168 HydrophobicContact CB-CD2 4.25Å; C165-F168 WeakPolarHBondContact SG-CD2 3.26Å; C165-K169 VanDerWaalsContact O-CA 3.27Å; C165-K169 WeakPolarHBondContact O-CA 3.04Å; C165-K169 PolarHBondContact O-N 3.34Å; C165-E170 PolarHBondContact N-O 2.89Å; C165-E170 PolarHBondContact O-N 3.42Å
166S83.3Confident93.8Very high99 Ų9971.1 Ų71.169%0.69237%0.373SS*.THydrogen-bonded Turntrans-70.6-25.2178.758.40000113.6
167V84.4Confident93.9Very high119 Ų11965.8 Ų65.872%0.72135%0.351SS*.THydrogen-bonded Turntrans-71.8-49.1179.4178.80000110.3C165 K169C165-V167 VanDerWaalsContact C-N 3.3Å; C165-V167 PolarHBondContact O-N 2.87Å; V167-K169 VanDerWaalsContact C-N 3.3Å
168F83.4Confident93.8Very high161 Ų16169.1 Ų69.171%0.70637%0.369SS*.THydrogen-bonded Turntrans-84.2-6.2177-59.7-63.7000113.2C165 E170C165-F168 HydrophobicContact CB-CB 4.4Å; C165-F168 HydrophobicContact CB-CD2 4.25Å; C165-F168 WeakPolarHBondContact SG-CD2 3.26Å; F168-E170 VanDerWaalsContact C-N 3.31Å; F168-E170 HydrophobicContact CB-CB 4.31Å; F168-E170 PolarHBondContact O-N 3.33Å
169K90.8Very high93.8Very high148 Ų14869.9 Ų69.964%0.64338%0.377SS*.THydrogen-bonded Turntrans5150.1-174.1-60.3-179.2180175.70111.9L145 C165 V167L145-K169 WeakPolarHBondContact CB-O 3.5Å; L145-K169 HydrophobicContact CD1-CB 4.36Å; L145-K169 WeakPolarHBondContact CG-O 3Å; L145-K169 PolarHBondContact N-O 2.94Å; C165-K169 VanDerWaalsContact O-CA 3.27Å; C165-K169 WeakPolarHBondContact O-CA 3.04Å; C165-K169 PolarHBondContact O-N 3.34Å; V167-K169 VanDerWaalsContact C-N 3.3Å
170E93.6Very high93.7Very high50 Ų5073.8 Ų73.823%0.23440%0.404CS..EExtended strand (participates in β ladder)trans-130.3144-173.6-169.3-171.688.200111.3K142 I143 V164 C165 F168K142-E170 VanDerWaalsContact CB-CD 3.49Å; K142-E170 HydrophobicContact CB-CG 4.24Å; K142-E170 WeakPolarHBondContact CB-OE1 3.25Å; K142-E170 VanDerWaalsContact CD-OE1 3.27Å; K142-E170 WeakPolarHBondContact CD-OE1 3.44Å; K142-E170 VanDerWaalsContact CG-OE1 3.32Å; K142-E170 WeakPolarHBondContact CG-OE1 3.22Å; I143-E170 CarbonylContact O-C 3.54Å; I143-E170 WeakPolarHBondContact O-CA 3.37Å; I143-E170 WeakPolarHBondContact O-CG 3.27Å; V164-E170 CarbonylContact C-O 3.58Å; V164-E170 WeakPolarHBondContact CA-O 3.41Å; C165-E170 PolarHBondContact N-O 2.89Å; C165-E170 PolarHBondContact O-N 3.42Å; F168-E170 VanDerWaalsContact C-N 3.31Å; F168-E170 HydrophobicContact CB-CB 4.31Å; F168-E170 PolarHBondContact O-N 3.33Å
171A95.3Very high93.6Very high1 Ų168.1 Ų68.11%0.00838%0.379CS..EExtended strand (participates in β ladder)trans-104.4133.6166.400000110.5I143 L145 I151 V164I143-A171 PolarHBondContact N-O 3.09Å; I143-A171 PolarHBondContact O-N 2.79Å; L145-A171 HydrophobicContact CD2-CB 3.96Å; I151-A171 HydrophobicContact CD1-CB 4.48Å; V164-A171 HydrophobicContact CG2-CB 4.32Å
172T96.9Very high93.5Very high12 Ų1267.5 Ų67.57%0.07437%0.372CS..EExtended strand (participates in β ladder)trans-99.3117.1171.5-470000108.7Q140 K142 A162 S163 E174Q140-T172 VanDerWaalsContact CD-CG2 3.42Å; Q140-T172 HydrophobicContact CG-CG2 3.47Å; Q140-T172 VanDerWaalsContact CG-CG2 3.47Å; K142-T172 HydrophobicContact CG-CG2 4.39Å; A162-T172 PolarHBondContact N-O 3.43Å; S163-T172 PolarHBondContact N-O 3.06Å; S163-T172 PolarHBondContact O-N 2.82Å; S163-T172 WeakPolarHBondContact OG-CB 2.91Å; S163-T172 PolarHBondContact OG-OG1 3.45Å; T172-E174 HydrophobicContact CG2-CG 4.45Å
173L97.9Very high93.6Very high0 Ų068.2 Ų68.20%037%0.371CS..EExtended strand (participates in β ladder)trans-106.8140.3175.8-56.3-178.3000109.7Q140 A141 I143 F154 F159 Q160 E161Q140-L173 CarbonylContact C-O 3.57Å; Q140-L173 VanDerWaalsContact CA-O 3.27Å; Q140-L173 WeakPolarHBondContact CA-O 3.42Å; A141-L173 PolarHBondContact N-O 3.16Å; A141-L173 PolarHBondContact O-N 3.22Å; I143-L173 HydrophobicContact CD1-CD1 3.81Å; F154-L173 HydrophobicContact CB-CD1 3.5Å; F154-L173 HydrophobicContact CG-CD1 4.39Å; F159-L173 HydrophobicContact CB-CB 4Å; F159-L173 HydrophobicContact CD1-CB 4.28Å; Q160-L173 CarbonylContact O-C 3.12Å; Q160-L173 VanDerWaalsContact O-CA 3.26Å; Q160-L173 WeakPolarHBondContact O-CA 3.26Å; E161-L173 HydrophobicContact CB-CD2 3.8Å; E161-L173 HydrophobicContact CG-CD2 4.05Å
174E97.8Very high93.6Very high48 Ų4869.5 Ų69.522%0.22437%0.369CS..EExtended strand (participates in β ladder)trans-132150.4-177.1-62.6-171147.800112.3K138 F139 Q140 F159 Q160 A162 T172K138-E174 VanDerWaalsContact CE-OE1 3.26Å; K138-E174 WeakPolarHBondContact CE-OE1 3.5Å; K138-E174 WeakPolarHBondContact CE-OE2 3.49Å; K138-E174 IonicContact NZ-OE1 2.74Å; K138-E174 PolarHBondContact NZ-OE1 2.79Å; K138-E174 IonicContact NZ-OE2 3.62Å; K138-E174 PolarHBondContact NZ-OE2 2.87Å; F139-E174 CarbonylContact O-C 3.17Å; F139-E174 VanDerWaalsContact O-CA 3.26Å; F139-E174 WeakPolarHBondContact O-CA 3.46Å; Q140-E174 HydrophobicContact CB-CG 4.36Å; Q140-E174 HydrophobicContact CG-CG 4.12Å; Q140-E174 PolarHBondContact NE2-OE1 2.86Å; F159-E174 CarbonylContact C-O 3.51Å; F159-E174 WeakPolarHBondContact CA-O 3.33Å; Q160-E174 PolarHBondContact N-O 3.28Å; Q160-E174 PolarHBondContact O-N 3.35Å; A162-E174 HydrophobicContact CB-CB 4.25Å; A162-E174 HydrophobicContact CB-CG 3.65Å; T172-E174 HydrophobicContact CG2-CG 4.45Å
175L98.1Very high93.8Very high16 Ų1666.6 Ų66.68%0.08435%0.35CS..EExtended strand (participates in β ladder)trans-139.7121.3172.6-17968.8000110.3M127 K138 F139 Q158 F159 V181M127-L175 HydrophobicContact CE-CD2 3.41Å; M127-L175 VanDerWaalsContact CE-CD2 3.41Å; K138-L175 WeakPolarHBondContact CA-O 3.29Å; F139-L175 PolarHBondContact N-O 2.79Å; F139-L175 PolarHBondContact O-N 3.38Å; Q158-L175 HydrophobicContact CB-CD1 4.34Å; F159-L175 HydrophobicContact CD1-CB 3.81Å; F159-L175 HydrophobicContact CD2-CB 3.89Å; F159-L175 HydrophobicContact CD2-CD2 3.96Å; F159-L175 HydrophobicContact CD2-CG 4.48Å; F159-L175 HydrophobicContact CE1-CB 3.86Å; F159-L175 HydrophobicContact CE2-CB 3.94Å; F159-L175 HydrophobicContact CE2-CD2 3.67Å; F159-L175 HydrophobicContact CE2-CG 4.46Å; F159-L175 HydrophobicContact CG-CB 3.82Å; F159-L175 HydrophobicContact CZ-CB 3.93Å; F159-L175 HydrophobicContact CZ-CD2 4.21Å; L175-V181 HydrophobicContact CD1-CG2 4.17Å; L175-V181 HydrophobicContact CD2-CG1 4.05Å
176M97.6Very high94.1Very high117 Ų11769.6 Ų69.658%0.57636%0.36SS*.EExtended strand (participates in β ladder)trans-80.6134.7169-66.5-59.5-61.500109.9K138 D178K138-M176 HydrophobicContact CB-CE 4.45Å; K138-M176 HydrophobicContact CB-SD 3.8Å; K138-M176 HydrophobicContact CD-SD 3.55Å; K138-M176 VanDerWaalsContact CD-SD 3.55Å; K138-M176 HydrophobicContact CG-SD 3.53Å; K138-M176 VanDerWaalsContact CG-SD 3.53Å; M176-D178 PolarHBondContact O-N 3.15Å
177V97.1Very high94.7Very high19 Ų1970.8 Ų70.812%0.11536%0.355CS..  trans-89.888.6176.9-174.50000108.9I131 K137 F139 V181 R182I131-V177 HydrophobicContact CD1-CB 4.46Å; I131-V177 HydrophobicContact CD1-CG1 3.61Å; I131-V177 HydrophobicContact CD1-CG2 3.94Å; I131-V177 HydrophobicContact CG1-CG1 3.93Å; I131-V177 HydrophobicContact CG1-CG2 4.01Å; I131-V177 HydrophobicContact CG2-CG1 4.42Å; K137-V177 WeakPolarHBondContact O-CB 3.42Å; K137-V177 WeakPolarHBondContact O-CG2 3.3Å; K137-V177 PolarHBondContact O-N 2.83Å; F139-V177 HydrophobicContact CD2-CG2 3.77Å; F139-V177 HydrophobicContact CE2-CG2 3.68Å; V177-V181 HydrophobicContact CG1-CG1 4.45Å; V177-R182 HydrophobicContact CG1-CB 4.42Å
178D95.6Very high95.2Very high86 Ų8666.6 Ų66.646%0.4633%0.329SS..  trans-87.3179.9165.967.724.9000111.6M176 S180 V181 R182M176-D178 PolarHBondContact O-N 3.15Å; D178-S180 VanDerWaalsContact C-N 3.26Å; D178-S180 PolarHBondContact O-N 2.74Å; D178-S180 WeakPolarHBondContact OD1-CA 3.3Å; D178-S180 VanDerWaalsContact OD1-CB 3.3Å; D178-S180 WeakPolarHBondContact OD1-CB 3.16Å; D178-S180 PolarHBondContact OD1-N 3.14Å; D178-V181 PolarHBondContact O-N 3.27Å; D178-V181 WeakPolarHBondContact OD1-CG2 3.3Å; D178-V181 PolarHBondContact OD1-N 2.96Å; D178-R182 WeakPolarHBondContact O-CB 3.42Å; D178-R182 PolarHBondContact O-N 2.75Å
179D95.2Very high95.9Very high128 Ų12859.3 Ų59.368%0.68430%0.298SS*.Hα-helixtrans-64.3-30.7-179.9-68.6-29.8000112.8T183D179-T183 VanDerWaalsContact O-CB 3.31Å; D179-T183 WeakPolarHBondContact O-CB 3.42Å; D179-T183 PolarHBondContact O-N 2.97Å; D179-T183 PolarHBondContact O-OG1 3.43Å
180S95.4Very high96.2Very high83 Ų8356.2 Ų56.258%0.5830%0.3SS*.Hα-helixtrans-68.6-48.3177176.90000110.5D178 R182 T183 K184D178-S180 VanDerWaalsContact C-N 3.26Å; D178-S180 PolarHBondContact O-N 2.74Å; D178-S180 WeakPolarHBondContact OD1-CA 3.3Å; D178-S180 VanDerWaalsContact OD1-CB 3.3Å; D178-S180 WeakPolarHBondContact OD1-CB 3.16Å; D178-S180 PolarHBondContact OD1-N 3.14Å; S180-R182 VanDerWaalsContact C-N 3.34Å; S180-R182 PolarHBondContact O-N 3.23Å; S180-T183 PolarHBondContact O-N 3.06Å; S180-K184 VanDerWaalsContact O-CB 3.25Å; S180-K184 WeakPolarHBondContact O-CB 3.46Å; S180-K184 PolarHBondContact O-N 3.05Å
181V95.4Very high96.3Very high14 Ų1456.7 Ų56.79%0.08530%0.3CS..Hα-helixtrans-60.8-44.9175.5172.30000110.4L175 V177 D178 K184 L185L175-V181 HydrophobicContact CD1-CG2 4.17Å; L175-V181 HydrophobicContact CD2-CG1 4.05Å; V177-V181 HydrophobicContact CG1-CG1 4.45Å; D178-V181 PolarHBondContact O-N 3.27Å; D178-V181 WeakPolarHBondContact OD1-CG2 3.3Å; D178-V181 PolarHBondContact OD1-N 2.96Å; V181-K184 PolarHBondContact O-N 3.27Å; V181-L185 WeakPolarHBondContact O-CB 3.47Å; V181-L185 PolarHBondContact O-N 3.39Å
182R95.2Very high96.5Very high88 Ų8858.5 Ų58.533%0.33231%0.308SS..Hα-helixtrans-59.5-49.9178-176.2-176.4-65.6-96.3-5.2111.6V177 D178 S180 L185 Q186V177-R182 HydrophobicContact CG1-CB 4.42Å; D178-R182 WeakPolarHBondContact O-CB 3.42Å; D178-R182 PolarHBondContact O-N 2.75Å; S180-R182 VanDerWaalsContact C-N 3.34Å; S180-R182 PolarHBondContact O-N 3.23Å; R182-L185 PolarHBondContact O-N 3.2Å; R182-Q186 WeakPolarHBondContact O-CB 3.47Å; R182-Q186 VanDerWaalsContact O-CG 3.26Å; R182-Q186 WeakPolarHBondContact O-CG 3.36Å; R182-Q186 PolarHBondContact O-N 3.34Å
183T96.1Very high96.5Very high69 Ų6963.8 Ų63.842%0.42333%0.33SS..Hα-helixtrans-62.6-47.8-179.9-56.50000110.5D179 S180 L185 Q186 E187D179-T183 VanDerWaalsContact O-CB 3.31Å; D179-T183 WeakPolarHBondContact O-CB 3.42Å; D179-T183 PolarHBondContact O-N 2.97Å; D179-T183 PolarHBondContact O-OG1 3.43Å; S180-T183 PolarHBondContact O-N 3.06Å; T183-L185 VanDerWaalsContact C-N 3.32Å; T183-L185 PolarHBondContact O-N 2.6Å; T183-Q186 WeakPolarHBondContact O-CB 3.45Å; T183-Q186 PolarHBondContact O-N 2.86Å; T183-E187 WeakPolarHBondContact O-CG 3.27Å; T183-E187 PolarHBondContact O-N 3.46Å
184K95.8Very high96.5Very high88 Ų8868.6 Ų68.638%0.38335%0.353SS..Hα-helixtrans-62.2-41.2-179.5-17754.9-179.71490112.2S180 V181 E187 D188S180-K184 VanDerWaalsContact O-CB 3.25Å; S180-K184 WeakPolarHBondContact O-CB 3.46Å; S180-K184 PolarHBondContact O-N 3.05Å; V181-K184 PolarHBondContact O-N 3.27Å; K184-E187 IonicContact NZ-OE2 2.97Å; K184-E187 PolarHBondContact O-N 3.28Å; K184-D188 VanDerWaalsContact CE-OD1 3.28Å; K184-D188 WeakPolarHBondContact CE-OD1 3.36Å; K184-D188 IonicContact NZ-OD1 2.79Å; K184-D188 PolarHBondContact NZ-OD1 2.92Å; K184-D188 VanDerWaalsContact O-CB 3.32Å; K184-D188 WeakPolarHBondContact O-CB 3.22Å; K184-D188 VanDerWaalsContact O-CG 3.29Å; K184-D188 PolarHBondContact O-N 3.38Å
185L96.3Very high96.5Very high12 Ų1271.6 Ų71.66%0.06336%0.362CS..Hα-helixtrans-67.3-41178.2-171.865.5000111.6R124 M127 I131 V181 R182 T183 E187 D188 V189R124-L185 HydrophobicContact CB-CD1 3.74Å; R124-L185 HydrophobicContact CG-CD1 3.85Å; M127-L185 HydrophobicContact CB-CD2 3.72Å; I131-L185 HydrophobicContact CD1-CD2 3.58Å; V181-L185 WeakPolarHBondContact O-CB 3.47Å; V181-L185 PolarHBondContact O-N 3.39Å; R182-L185 PolarHBondContact O-N 3.2Å; T183-L185 VanDerWaalsContact C-N 3.32Å; T183-L185 PolarHBondContact O-N 2.6Å; L185-E187 VanDerWaalsContact C-N 3.31Å; L185-E187 PolarHBondContact O-N 3.38Å; L185-D188 PolarHBondContact O-N 3.48Å; L185-V189 HydrophobicContact CD1-CG1 4.29Å; L185-V189 WeakPolarHBondContact O-CG2 3.46Å; L185-V189 PolarHBondContact O-N 2.62Å
186Q94.7Very high96.5Very high103 Ų10374.1 Ų74.148%0.48138%0.376SS..Hα-helixtrans-59.3-41.5175.1-76.8173.9-1800112R182 T183 A190R182-Q186 WeakPolarHBondContact O-CB 3.47Å; R182-Q186 VanDerWaalsContact O-CG 3.26Å; R182-Q186 WeakPolarHBondContact O-CG 3.36Å; R182-Q186 PolarHBondContact O-N 3.34Å; T183-Q186 WeakPolarHBondContact O-CB 3.45Å; T183-Q186 PolarHBondContact O-N 2.86Å; Q186-A190 WeakPolarHBondContact O-CA 3.41Å; Q186-A190 PolarHBondContact O-N 3Å
187E96.3Very high96.4Very high124 Ų12469.4 Ų69.458%0.57935%0.351SS*.Hα-helixtrans-64.4-48172.4-68.2173.417700111.6T183 K184 L185 V189 A190T183-E187 WeakPolarHBondContact O-CG 3.27Å; T183-E187 PolarHBondContact O-N 3.46Å; K184-E187 IonicContact NZ-OE2 2.97Å; K184-E187 PolarHBondContact O-N 3.28Å; L185-E187 VanDerWaalsContact C-N 3.31Å; L185-E187 PolarHBondContact O-N 3.38Å; E187-V189 PolarHBondContact O-N 3.26Å; E187-A190 WeakPolarHBondContact O-CB 3.32Å; E187-A190 PolarHBondContact O-N 3.17Å
188D95.8Very high96.3Very high32 Ų3273.7 Ų73.717%0.17137%0.369CS..Hα-helixtrans-66.1-20.1-176.6-79.4-2.7000112.8R124 K184 L185 Y191R124-D188 IonicContact CZ-OD2 4Å; R124-D188 IonicContact NE-OD2 2.63Å; R124-D188 PolarHBondContact NE-OD2 3.14Å; R124-D188 IonicContact NH1-OD2 3.46Å; R124-D188 IonicContact NH2-OD2 3.9Å; R124-D188 PolarHBondContact NH2-OD2 3.33Å; K184-D188 VanDerWaalsContact CE-OD1 3.28Å; K184-D188 WeakPolarHBondContact CE-OD1 3.36Å; K184-D188 IonicContact NZ-OD1 2.79Å; K184-D188 PolarHBondContact NZ-OD1 2.92Å; K184-D188 VanDerWaalsContact O-CB 3.32Å; K184-D188 WeakPolarHBondContact O-CB 3.22Å; K184-D188 VanDerWaalsContact O-CG 3.29Å; K184-D188 PolarHBondContact O-N 3.38Å; L185-D188 PolarHBondContact O-N 3.48Å; D188-Y191 WeakPolarHBondContact O-CE1 3.32Å
189V97.3Very high96.2Very high8 Ų876 Ų765%0.04838%0.376CS..THydrogen-bonded Turntrans-118.718.7176.3-57.20000113.2R124 L185 E187 Y191 M192R124-V189 HydrophobicContact CB-CG1 3.68Å; L185-V189 HydrophobicContact CD1-CG1 4.29Å; L185-V189 WeakPolarHBondContact O-CG2 3.46Å; L185-V189 PolarHBondContact O-N 2.62Å; E187-V189 PolarHBondContact O-N 3.26Å; V189-Y191 PolarHBondContact O-N 3.26Å; V189-M192 HydrophobicContact CB-CB 4.21Å; V189-M192 WeakPolarHBondContact O-CB 3.32Å; V189-M192 PolarHBondContact O-N 2.99Å
190A97Very high96.1Very high83 Ų8371.2 Ų71.269%0.68635%0.352SS*.THydrogen-bonded Turntrans-59.8-19.9-179.200000113.6Q186 E187Q186-A190 WeakPolarHBondContact O-CA 3.41Å; Q186-A190 PolarHBondContact O-N 3Å; E187-A190 WeakPolarHBondContact O-CB 3.32Å; E187-A190 PolarHBondContact O-N 3.17Å
191Y96.6Very high95.9Very high60 Ų6068 Ų6824%0.23533%0.33CS..THydrogen-bonded Turntrans-78.3-18.2174.161-100.2000113.9H12 D188 V189H12-Y191 AromaticContact CD2-CD1 3.46Å; H12-Y191 VanDerWaalsContact CD2-CD1 3.46Å; H12-Y191 WeakPolarHBondContact CD2-CD1 3.42Å; H12-Y191 AromaticContact CD2-CD2 3.67Å; H12-Y191 AromaticContact CD2-CE1 3.51Å; H12-Y191 AromaticContact CD2-CE2 3.77Å; H12-Y191 AromaticContact CD2-CG 3.53Å; H12-Y191 AromaticContact CD2-CZ 3.69Å; H12-Y191 VanDerWaalsContact CE1-CB 3.47Å; H12-Y191 WeakPolarHBondContact CE1-CB 3.35Å; H12-Y191 AromaticContact CE1-CD1 3.96Å; H12-Y191 AromaticContact CE1-CG 3.59Å; H12-Y191 AromaticContact CG-CD2 3.95Å; H12-Y191 AromaticContact NE2-CD1 3.11Å; H12-Y191 WeakPolarHBondContact NE2-CD1 3.32Å; H12-Y191 AromaticContact NE2-CD2 3.82Å; H12-Y191 AromaticContact NE2-CE1 3.65Å; H12-Y191 AromaticContact NE2-CG 3.19Å; D188-Y191 WeakPolarHBondContact O-CE1 3.32Å; V189-Y191 PolarHBondContact O-N 3.26Å
192M97.9Very high95.6Very high39 Ų3970.6 Ų70.619%0.19235%0.348CS..  trans-68.6132.7-172.1-175.8-177.572.300110L9 E10 M125 V189L9-M192 HydrophobicContact CB-CG 4.42Å; L9-M192 HydrophobicContact CB-SD 4.21Å; L9-M192 HydrophobicContact CD1-SD 4.28Å; L9-M192 HydrophobicContact CD2-CE 4.47Å; L9-M192 HydrophobicContact CD2-SD 4.32Å; E10-M192 WeakPolarHBondContact O-CA 3.25Å; M125-M192 HydrophobicContact CB-SD 3.8Å; M125-M192 HydrophobicContact CE-CG 4.18Å; M125-M192 HydrophobicContact CE-SD 4.26Å; M125-M192 HydrophobicContact CG-CG 4.34Å; M125-M192 HydrophobicContact CG-SD 3.78Å; V189-M192 HydrophobicContact CB-CB 4.21Å; V189-M192 WeakPolarHBondContact O-CB 3.32Å; V189-M192 PolarHBondContact O-N 2.99Å
193K97.7Very high95.3Very high123 Ų12369.1 Ų69.154%0.53535%0.351SS..EExtended strand (participates in β ladder)trans-117.7133.8175.9-60.9178-176.5177.60110.2E10E10-K193 HydrophobicContact CB-CB 4.32Å; E10-K193 PolarHBondContact N-O 2.73Å; E10-K193 PolarHBondContact O-N 3.4Å; E10-K193 VanDerWaalsContact O-N 3.08Å
194E97.8Very high94.9Very high100 Ų10066.9 Ų66.947%0.46734%0.335SS..EExtended strand (participates in β ladder)trans-90.7128.5169.3-168.4176.3141.500108.6T7 L8 L9 K133T7-E194 HydrophobicContact CG2-CG 3.96Å; L8-E194 CarbonylContact O-C 3.5Å; L8-E194 WeakPolarHBondContact O-CA 3.3Å; L9-E194 HydrophobicContact CD2-CB 4.17Å; L9-E194 HydrophobicContact CD2-CG 4.04Å; K133-E194 WeakPolarHBondContact CE-OE2 3.41Å; K133-E194 IonicContact NZ-OE1 3.32Å; K133-E194 PolarHBondContact NZ-OE1 3.15Å; K133-E194 IonicContact NZ-OE2 3.29Å; K133-E194 PolarHBondContact NZ-OE2 2.94Å
195R97.3Very high94.2Very high112 Ų11267.8 Ų67.842%0.42334%0.341SS..EExtended strand (participates in β ladder)trans-128.4160.8176.6-57-171.8-176.9-153.73.8110.5L8 E10 Y197L8-R195 HydrophobicContact CB-CB 4.41Å; L8-R195 HydrophobicContact CD2-CB 4.3Å; L8-R195 PolarHBondContact N-O 3.23Å; L8-R195 PolarHBondContact O-N 2.92Å; E10-R195 IonicContact OE1-NH2 3.49Å; E10-R195 PolarHBondContact OE1-NH2 2.8Å; E10-R195 IonicContact OE2-CZ 3.04Å; E10-R195 IonicContact OE2-NE 2.77Å; E10-R195 PolarHBondContact OE2-NE 2.91Å; E10-R195 IonicContact OE2-NH2 2.66Å; E10-R195 PolarHBondContact OE2-NH2 3.5Å; R195-Y197 PolarHBondContact O-N 2.83Å
196D97.6Very high93.5Very high69 Ų6972.8 Ų72.837%0.36936%0.363SS..EExtended strand (participates in β ladder)trans-73.6118.9168.2-172.6-78.9000109.8N6 K198 Q199 T200N6-D196 WeakPolarHBondContact O-CA 3.48Å; D196-K198 PolarHBondContact OD1-N 3.43Å; D196-Q199 HydrophobicContact CB-CB 4.02Å; D196-Q199 WeakPolarHBondContact OD1-CB 3.45Å; D196-Q199 PolarHBondContact OD1-N 3.09Å; D196-T200 WeakPolarHBondContact O-CB 3.27Å; D196-T200 PolarHBondContact O-N 3.01Å; D196-T200 PolarHBondContact O-OG1 3.04Å
197Y96.8Very high92.6Very high17 Ų1772.9 Ų72.97%0.06737%0.367CS..Hα-helixtrans-63.2-48.2-177.6171.5-109.5000111.5N6 L8 V17 P18 N20 E81 R195 Q199 T200 C201N6-Y197 PolarHBondContact O-N 2.66Å; L8-Y197 HydrophobicContact CB-CD2 4.42Å; L8-Y197 HydrophobicContact CD1-CD2 4.3Å; V17-Y197 HydrophobicContact CB-CD2 3.95Å; V17-Y197 HydrophobicContact CB-CE2 3.66Å; V17-Y197 HydrophobicContact CG1-CD2 3.88Å; V17-Y197 HydrophobicContact CG1-CE2 3.76Å; P18-Y197 HydrophobicContact CG-CD1 3.94Å; P18-Y197 HydrophobicContact CG-CE1 4.44Å; P18-Y197 HydrophobicContact CG-CG 4Å; N20-Y197 WeakPolarHBondContact ND2-CE1 3.35Å; N20-Y197 PolarHBondContact ND2-OH 3.44Å; E81-Y197 PolarHBondContact OE1-OH 3.19Å; E81-Y197 PolarHBondContact OE2-OH 2.95Å; E81-Y197 VanDerWaalsContact OE2-OH 3.05Å; R195-Y197 PolarHBondContact O-N 2.83Å; Y197-Q199 PolarHBondContact O-N 3.45Å; Y197-T200 PolarHBondContact O-N 2.88Å; Y197-C201 WeakPolarHBondContact CE2-SG 3.45Å; Y197-C201 PolarHBondContact O-N 3.28Å; Y197-C201 PolarHBondContact O-SG 3.41Å; Y197-C201 VanDerWaalsContact O-SG 3.32Å
198K94.5Very high91.5Very high110 Ų11070.6 Ų70.648%0.47836%0.361SS..Hα-helixtrans-63.4-46.2-176.5-73.6179.1174.4149.80111.4N6 D196 T200 C201 S202N6-K198 WeakPolarHBondContact OD1-CD 3.36Å; N6-K198 WeakPolarHBondContact OD1-CE 3.41Å; N6-K198 PolarHBondContact OD1-NZ 3.49Å; D196-K198 PolarHBondContact OD1-N 3.43Å; K198-T200 VanDerWaalsContact C-N 3.3Å; K198-T200 PolarHBondContact O-N 2.94Å; K198-C201 PolarHBondContact O-N 3Å; K198-S202 PolarHBondContact O-N 3.13Å; K198-S202 PolarHBondContact O-OG 3.1Å
199Q94.1Very high89.9Confident133 Ų13377 Ų7762%0.62139%0.39SS*.Hα-helixtrans-61.4-41.9176.5-171.3178.17.600111.1D196 Y197 C201 S202 S203D196-Q199 HydrophobicContact CB-CB 4.02Å; D196-Q199 WeakPolarHBondContact OD1-CB 3.45Å; D196-Q199 PolarHBondContact OD1-N 3.09Å; Y197-Q199 PolarHBondContact O-N 3.45Å; Q199-C201 PolarHBondContact O-N 2.9Å; Q199-S202 PolarHBondContact O-N 3.49Å; Q199-S203 PolarHBondContact O-N 3.26Å; Q199-S203 PolarHBondContact O-OG 2.7Å
200T92.8Very high87.9Confident29 Ų2986.6 Ų86.618%0.17843%0.434CS..Hα-helixtrans-62.6-42.9177.7-56.90000111.4L8 D196 Y197 K198 R204L8-T200 HydrophobicContact CD1-CG2 3.86Å; D196-T200 WeakPolarHBondContact O-CB 3.27Å; D196-T200 PolarHBondContact O-N 3.01Å; D196-T200 PolarHBondContact O-OG1 3.04Å; Y197-T200 PolarHBondContact O-N 2.88Å; K198-T200 VanDerWaalsContact C-N 3.3Å; K198-T200 PolarHBondContact O-N 2.94Å; T200-R204 WeakPolarHBondContact O-CB 3.36Å; T200-R204 PolarHBondContact O-N 2.75Å; T200-R204 VanDerWaalsContact O-N 3.13Å
201C90.6Very high87.4Confident16 Ų1686.8 Ų86.811%0.10842%0.422CS..Hα-helixtrans-64.8-45.4175.5-64.40000111.5Y197 K198 Q199 S203 R204 H205Y197-C201 WeakPolarHBondContact CE2-SG 3.45Å; Y197-C201 PolarHBondContact O-N 3.28Å; Y197-C201 PolarHBondContact O-SG 3.41Å; Y197-C201 VanDerWaalsContact O-SG 3.32Å; K198-C201 PolarHBondContact O-N 3Å; Q199-C201 PolarHBondContact O-N 2.9Å; C201-S203 PolarHBondContact O-N 2.95Å; C201-R204 WeakPolarHBondContact O-CB 3.37Å; C201-R204 PolarHBondContact O-N 3.38Å; C201-H205 PolarHBondContact O-N 2.81Å; C201-H205 VanDerWaalsContact O-N 3.08Å; C201-H205 PolarHBondContact O-ND1 3.03Å
202S89.5Confident87Confident68 Ų6888.2 Ų88.248%0.47643%0.432SS..Hα-helixtrans-58.9-49.3177.8-630000112.4K198 Q199 R204 H205 E206K198-S202 PolarHBondContact O-N 3.13Å; K198-S202 PolarHBondContact O-OG 3.1Å; Q199-S202 PolarHBondContact O-N 3.49Å; S202-R204 PolarHBondContact O-N 3.16Å; S202-H205 PolarHBondContact O-N 3.44Å; S202-H205 VanDerWaalsContact O-N 3.15Å; S202-E206 PolarHBondContact O-N 3.06Å; S202-E206 VanDerWaalsContact O-N 3.13Å
203S88.8Confident86.3Confident56 Ų5690.9 Ų90.939%0.39245%0.445SS..Hα-helixtrans-61.2-31.1177.8-63.10000112.8Q199 C201 L207Q199-S203 PolarHBondContact O-N 3.26Å; Q199-S203 PolarHBondContact O-OG 2.7Å; C201-S203 PolarHBondContact O-N 2.95Å; S203-L207 WeakPolarHBondContact O-CG 3.36Å
204R88.8Confident85.7Confident23 Ų2389.1 Ų89.19%0.08744%0.44CS..Hα-helixtrans-69.4-41.8176.1-175.6175.1175.7-78-21.7112.2W74 D76 P77 V79 T200 C201 S202 L207W74-R204 PolarHBondContact O-NE 3.44Å; W74-R204 VanDerWaalsContact O-NE 3.07Å; D76-R204 PolarHBondContact O-NH2 2.81Å; P77-R204 HydrophobicContact CB-CG 4.28Å; P77-R204 PolarHBondContact O-NH2 3.41Å; V79-R204 PolarHBondContact O-NH2 2.95Å; T200-R204 WeakPolarHBondContact O-CB 3.36Å; T200-R204 PolarHBondContact O-N 2.75Å; T200-R204 VanDerWaalsContact O-N 3.13Å; C201-R204 WeakPolarHBondContact O-CB 3.37Å; C201-R204 PolarHBondContact O-N 3.38Å; S202-R204 PolarHBondContact O-N 3.16Å; R204-L207 PolarHBondContact O-N 2.76Å
205H80.3Confident84.9Confident107 Ų10788.4 Ų88.450%0.49544%0.438SS..Hα-helixtrans-67.4-35.6177.7-71.686.6000112.6C201 S202 L207 V208 Q209C201-H205 PolarHBondContact O-N 2.81Å; C201-H205 VanDerWaalsContact O-N 3.08Å; C201-H205 PolarHBondContact O-ND1 3.03Å; S202-H205 PolarHBondContact O-N 3.44Å; S202-H205 VanDerWaalsContact O-N 3.15Å; H205-L207 PolarHBondContact O-N 2.89Å; H205-V208 PolarHBondContact O-N 3.44Å; H205-V208 VanDerWaalsContact O-N 3.12Å; H205-Q209 PolarHBondContact O-N 2.83Å
206E82.6Confident84.1Confident116 Ų11686.8 Ų86.854%0.54244%0.439SS..Hα-helixtrans-61-29.7175.7-72174.3-178.400112.9S202 Q210S202-E206 PolarHBondContact O-N 3.06Å; S202-E206 VanDerWaalsContact O-N 3.13Å; E206-Q210 PolarHBondContact O-NE2 2.79Å
207L75.6Confident83.1Confident105 Ų10588.1 Ų88.155%0.5544%0.444SS..Hα-helixtrans-76.2-23.5177-66.3169.4000113.2P77 S203 R204 H205P77-L207 HydrophobicContact CB-CB 4.18Å; P77-L207 HydrophobicContact CG-CB 4.35Å; S203-L207 WeakPolarHBondContact O-CG 3.36Å; R204-L207 PolarHBondContact O-N 2.76Å; H205-L207 PolarHBondContact O-N 2.89Å
208V73Confident82.1Confident76 Ų7693.5 Ų93.546%0.46147%0.473SS..Hα-helixtrans-75.1-29.9174.7-175.70000111.3P77 H205 Q210P77-V208 HydrophobicContact CB-CG2 3.61Å; P77-V208 HydrophobicContact CG-CG2 4.47Å; P77-V208 WeakPolarHBondContact O-CG2 3.4Å; H205-V208 PolarHBondContact O-N 3.44Å; H205-V208 VanDerWaalsContact O-N 3.12Å; V208-Q210 VanDerWaalsContact C-N 3.31Å
209Q61.9Low81Confident168 Ų16892.2 Ų92.279%0.78547%0.473SS*.  trans-85.1-2.2-174.4-65.2-178.81.700113.7H205H205-Q209 PolarHBondContact O-N 2.83Å
210Q54.7Low79.9Confident209 Ų20988.5 Ų88.598%0.97746%0.459SS*.  trans-101.30176.5-69.6177.64000111.2E206 V208E206-Q210 PolarHBondContact O-NE2 2.79Å; V208-Q210 VanDerWaalsContact C-N 3.31Å

Retrieved 210 of 210 residues in 47.6 ms (Link to these results)

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