A0A087YL42_POEFO Loading...

Ecdysoneless homolog (Drosophila)

AlphaFold DB , UniProt , Accession A0A087YL42, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 663 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
1M31.6Very low52.3Low227 Ų227144.1 Ų144.1100%1.11873%0.731SS**  077.10-67.8-62.3-100.800105V3M1-V3 PolarHBondContact O-N 3.31Å
2D31.3Very low55.5Low162 Ų162135.3 Ų135.387%0.86669%0.687SS**  trans-73.2115-178.1-59.8-61.6000107.3L4D2-L4 PolarHBondContact O-N 3.25Å
3V31.3Very low58.4Low135 Ų135126.8 Ų126.882%0.81864%0.644SS**  trans-61.3127.3169.5176.30000106.2M1 Q5M1-V3 PolarHBondContact O-N 3.31Å; V3-Q5 PolarHBondContact O-N 3.22Å
4L38Very low61Low153 Ų153117.7 Ų117.780%0.80160%0.598SS**  trans-45.3111.2-179.3-69158.5000109.7D2 M6D2-L4 PolarHBondContact O-N 3.25Å; L4-M6 HydrophobicContact CB-CG 4.3Å; L4-M6 PolarHBondContact O-N 2.67Å
5Q37.3Very low63.3Low189 Ų189113.1 Ų113.188%0.88357%0.573SS**  trans-70.672.3159.5-82.1-171.5-32.300107.6V3 R7V3-Q5 PolarHBondContact O-N 3.22Å; Q5-R7 PolarHBondContact O-N 3.19Å; Q5-R7 VanDerWaalsContact O-N 3.12Å
6M43.3Very low65.4Low162 Ų162106.1 Ų106.180%0.79854%0.537SS*.  trans-53.3120.6156-68.3-168.480.500105.7L4 S8L4-M6 HydrophobicContact CB-CG 4.3Å; L4-M6 PolarHBondContact O-N 2.67Å; M6-S8 PolarHBondContact O-N 3.05Å
7R49.9Very low67.2Low215 Ų215102.2 Ų102.281%0.81152%0.516SS*.  trans-70.990.7174.2-66175.7-177.4160.34.1105.5Q5 I9Q5-R7 PolarHBondContact O-N 3.19Å; Q5-R7 VanDerWaalsContact O-N 3.12Å; R7-I9 PolarHBondContact O-N 2.8Å
8S65.8Low68.8Low110 Ų11096.5 Ų96.577%0.76949%0.487SS*.  trans-59.6102.6-179.458.30000108.7M6M6-S8 PolarHBondContact O-N 3.05Å
9I77.8Confident70.2Confident23 Ų2391.5 Ų91.512%0.11846%0.462CS..  trans-66.1133.1165.9-57.3-174.5000105.3R7 M13 Q15 E110R7-I9 PolarHBondContact O-N 2.8Å; I9-M13 HydrophobicContact CG2-CB 4.01Å; I9-M13 HydrophobicContact CG2-CG 4.13Å; I9-M13 WeakPolarHBondContact CG2-O 3.5Å; I9-Q15 HydrophobicContact CD1-CB 4.32Å; I9-Q15 HydrophobicContact CD1-CG 3.96Å; I9-Q15 HydrophobicContact CG2-CG 4.25Å; I9-E110 HydrophobicContact CD1-CG 3.78Å
10P85.2Confident71.4Confident46 Ų4687.6 Ų87.630%0.29944%0.442SS..  trans-54.5143.9173.9-24.934.1000110.9D12 M13P10-D12 WeakPolarHBondContact CB-OD1 3.45Å; P10-D12 PolarHBondContact O-N 3.46Å; P10-M13 HydrophobicContact CB-CB 4.05Å; P10-M13 HydrophobicContact CG-CB 4.26Å; P10-M13 HydrophobicContact CG-CE 4.31Å; P10-M13 HydrophobicContact CG-SD 4.24Å; P10-M13 PolarHBondContact O-N 2.75Å
11E83.5Confident72.1Confident163 Ų16383.8 Ų83.876%0.76242%0.424SS*.THydrogen-bonded Turntrans-58.1-16.3-176.7-63.5175.2172.700114.3Y81 N112E11-Y81 PolarHBondContact O-OH 3.39Å; E11-N112 WeakPolarHBondContact CA-OD1 3.34Å; E11-N112 PolarHBondContact O-OD1 3.34Å; E11-N112 VanDerWaalsContact O-OD1 3.13Å
12D90.8Very high74.4Confident38 Ų3877.7 Ų77.720%0.20339%0.392CS..THydrogen-bonded Turntrans-113.622.6-178.667.2-30.6000113P10 R80 Y81P10-D12 WeakPolarHBondContact CB-OD1 3.45Å; P10-D12 PolarHBondContact O-N 3.46Å; D12-R80 HydrophobicContact CB-CG 4.46Å; D12-R80 CarbonylContact O-C 3.58Å; D12-R80 VanDerWaalsContact O-CA 3.24Å; D12-R80 WeakPolarHBondContact O-CA 3.43Å; D12-R80 WeakPolarHBondContact O-CG 3.45Å; D12-R80 IonicContact OD1-CZ 3.73Å; D12-R80 IonicContact OD1-NE 2.71Å; D12-R80 IonicContact OD1-NH1 2.6Å; D12-R80 PolarHBondContact OD1-NH1 2.71Å; D12-R80 IonicContact OD1-NH2 3.85Å; D12-R80 WeakPolarHBondContact OD2-CD 3.26Å; D12-R80 WeakPolarHBondContact OD2-CG 3.27Å; D12-R80 IonicContact OD2-CZ 2.71Å; D12-R80 IonicContact OD2-NE 2.79Å; D12-R80 IonicContact OD2-NH1 3.87Å; D12-R80 PolarHBondContact OD2-NH1 2.89Å; D12-Y81 VanDerWaalsContact C-CE1 3.5Å; D12-Y81 WeakPolarHBondContact O-CD1 3.5Å; D12-Y81 PolarHBondContact O-N 3.37Å
13M93.4Very high76.3Confident25 Ų2573.6 Ų73.612%0.12337%0.373CS..EExtended strand (participates in β ladder)trans-130127.8-174.6179.4175.5-69.500113.8I9 P10 T79 R80I9-M13 HydrophobicContact CG2-CB 4.01Å; I9-M13 HydrophobicContact CG2-CG 4.13Å; I9-M13 WeakPolarHBondContact CG2-O 3.5Å; P10-M13 HydrophobicContact CB-CB 4.05Å; P10-M13 HydrophobicContact CG-CB 4.26Å; P10-M13 HydrophobicContact CG-CE 4.31Å; P10-M13 HydrophobicContact CG-SD 4.24Å; P10-M13 PolarHBondContact O-N 2.75Å; M13-T79 WeakPolarHBondContact CA-O 3.26Å; M13-R80 HydrophobicContact CE-CB 4.36Å
14V95.1Very high78.1Confident0 Ų073.7 Ų73.70%037%0.369CS..EExtended strand (participates in β ladder)trans-99.9133.7167.665.80000111.1Y16 S78 T79 Y81 E88 I91 V109 F116V14-Y16 HydrophobicContact CG1-CE1 4.5Å; V14-S78 WeakPolarHBondContact O-CA 3.48Å; V14-T79 PolarHBondContact N-O 3.07Å; V14-T79 PolarHBondContact O-N 2.92Å; V14-Y81 HydrophobicContact CB-CD1 4.31Å; V14-Y81 HydrophobicContact CB-CE1 4.45Å; V14-Y81 HydrophobicContact CG1-CD1 4.3Å; V14-E88 HydrophobicContact CB-CG 4.32Å; V14-E88 HydrophobicContact CG2-CG 4.3Å; V14-I91 HydrophobicContact CG1-CD1 3.62Å; V14-V109 HydrophobicContact CG2-CG2 3.47Å; V14-V109 VanDerWaalsContact CG2-CG2 3.47Å; V14-F116 HydrophobicContact CG2-CE1 4.06Å; V14-F116 HydrophobicContact CG2-CZ 4.39Å
15Q95.6Very high79.4Confident49 Ų4970.1 Ų70.123%0.22937%0.369CS..EExtended strand (participates in β ladder)trans-109.2142.8172.8-63.3-169.613.400110.9I9 V109 E110I9-Q15 HydrophobicContact CD1-CB 4.32Å; I9-Q15 HydrophobicContact CD1-CG 3.96Å; I9-Q15 HydrophobicContact CG2-CG 4.25Å; Q15-V109 CarbonylContact O-C 3.58Å; Q15-V109 WeakPolarHBondContact O-CA 3.29Å; Q15-E110 HydrophobicContact CB-CG 4.08Å; Q15-E110 PolarHBondContact N-O 3.3Å; Q15-E110 PolarHBondContact O-N 3.01Å
16Y96.5Very high81.4Confident0 Ų064.2 Ų64.20%034%0.343CS..EExtended strand (participates in β ladder)trans-142.4137.8-179.542.2-84.7000111.9V14 F60 N61 L62 G76 G77 T79 I91 L95 R108V14-Y16 HydrophobicContact CG1-CE1 4.5Å; Y16-F60 HydrophobicContact CD2-CD2 4.45Å; Y16-F60 AromaticContact CD2-CE2 3.77Å; Y16-F60 HydrophobicContact CD2-CE2 3.77Å; Y16-F60 HydrophobicContact CD2-CZ 4.49Å; Y16-F60 HydrophobicContact CE1-CD2 4.19Å; Y16-F60 HydrophobicContact CE1-CE2 4.39Å; Y16-F60 AromaticContact CE2-CD2 3.58Å; Y16-F60 HydrophobicContact CE2-CD2 3.58Å; Y16-F60 AromaticContact CE2-CE2 3.22Å; Y16-F60 HydrophobicContact CE2-CE2 3.22Å; Y16-F60 AromaticContact CE2-CZ 3.99Å; Y16-F60 HydrophobicContact CE2-CZ 3.99Å; Y16-F60 AromaticContact CZ-CD2 3.44Å; Y16-F60 VanDerWaalsContact CZ-CD2 3.44Å; Y16-F60 AromaticContact CZ-CE2 3.61Å; Y16-F60 VanDerWaalsContact OH-CD2 3.32Å; Y16-F60 WeakPolarHBondContact OH-CD2 3.18Å; Y16-N61 VanDerWaalsContact CE2-O 3.25Å; Y16-N61 WeakPolarHBondContact CE2-O 3.4Å; Y16-N61 PolarHBondContact OH-N 3.38Å; Y16-N61 PolarHBondContact OH-O 2.68Å; Y16-L62 HydrophobicContact CD2-CD2 4.1Å; Y16-L62 HydrophobicContact CE2-CD2 3.88Å; Y16-G76 CarbonylContact O-C 3.56Å; Y16-G76 VanDerWaalsContact O-CA 3.31Å; Y16-G76 WeakPolarHBondContact O-CA 3.41Å; Y16-G77 VanDerWaalsContact CE2-CA 3.49Å; Y16-G77 PolarHBondContact N-O 3.05Å; Y16-G77 PolarHBondContact O-N 3.04Å; Y16-T79 PolarHBondContact OH-OG1 3.34Å; Y16-I91 HydrophobicContact CD1-CG2 3.68Å; Y16-I91 HydrophobicContact CE1-CD1 4.07Å; Y16-I91 HydrophobicContact CE1-CG2 3.89Å; Y16-I91 HydrophobicContact CG-CG2 4.16Å; Y16-L95 HydrophobicContact CD2-CD2 4.48Å; Y16-L95 HydrophobicContact CG-CD1 4.46Å; Y16-R108 CarbonylContact C-O 3.59Å; Y16-R108 WeakPolarHBondContact CA-O 3.45Å
17K96.1Very high83.2Confident40 Ų4059 Ų5917%0.17432%0.322CS..EExtended strand (participates in β ladder)trans-138.3118.9-170.8-65.3163.4-174.9141.70109.4F19 I75 A107 R108 E110K17-F19 HydrophobicContact CB-CE2 3.59Å; K17-F19 HydrophobicContact CB-CZ 3.69Å; K17-F19 HydrophobicContact CD-CZ 4.44Å; K17-I75 CarbonylContact C-O 3.53Å; K17-A107 CarbonylContact O-C 3.55Å; K17-A107 VanDerWaalsContact O-CA 3.32Å; K17-A107 WeakPolarHBondContact O-CA 3.48Å; K17-R108 PolarHBondContact N-O 3.14Å; K17-R108 PolarHBondContact O-N 3.49Å; K17-E110 IonicContact NZ-OE1 2.57Å; K17-E110 PolarHBondContact NZ-OE1 2.88Å
18L96.7Very high84.7Confident0 Ų052.6 Ų52.60%031%0.31CS..EExtended strand (participates in β ladder)trans-108.2120.9178.2-57.599.1000110.8M42 L62 H74 I75 L95 T99 L105 A106 A107L18-M42 HydrophobicContact CD1-CE 4.06Å; L18-M42 HydrophobicContact CD2-CE 3.59Å; L18-M42 HydrophobicContact CG-CE 4.34Å; L18-L62 HydrophobicContact CD1-CD2 3.85Å; L18-H74 WeakPolarHBondContact O-CA 3.31Å; L18-H74 WeakPolarHBondContact O-CB 3.27Å; L18-I75 HydrophobicContact CB-CB 4.44Å; L18-I75 PolarHBondContact N-O 3.37Å; L18-I75 PolarHBondContact O-N 3.3Å; L18-L95 HydrophobicContact CD1-CD2 3.86Å; L18-L95 HydrophobicContact CD2-CD2 4.06Å; L18-L95 HydrophobicContact CG-CD2 4.13Å; L18-T99 HydrophobicContact CD2-CG2 4.39Å; L18-L105 HydrophobicContact CD2-CD1 4.38Å; L18-A106 CarbonylContact C-O 3.5Å; L18-A106 WeakPolarHBondContact CA-O 3.29Å; L18-A107 HydrophobicContact CD2-CB 3.94Å; L18-A107 HydrophobicContact CG-CB 3.82Å
19F95.1Very high85.7Confident2 Ų254.1 Ų54.11%0.00931%0.305CS..EExtended strand (participates in β ladder)trans-111.4145.2-175.6-56-88.8000110.8K17 V21 V71 P72 H74 L105 A106 R108 L167 L171K17-F19 HydrophobicContact CB-CE2 3.59Å; K17-F19 HydrophobicContact CB-CZ 3.69Å; K17-F19 HydrophobicContact CD-CZ 4.44Å; F19-V21 PolarHBondContact O-N 3.18Å; F19-V71 HydrophobicContact CE1-CG1 4.18Å; F19-P72 HydrophobicContact CD1-CB 4.26Å; F19-P72 HydrophobicContact CD1-CG 4.49Å; F19-H74 HydrophobicContact CD1-CB 3.55Å; F19-H74 HydrophobicContact CE1-CB 3.63Å; F19-H74 AromaticContact CE1-CG 3.83Å; F19-H74 AromaticContact CE1-ND1 3.97Å; F19-H74 HydrophobicContact CG-CB 4.24Å; F19-H74 HydrophobicContact CZ-CB 4.39Å; F19-L105 WeakPolarHBondContact O-CA 3.24Å; F19-A106 PolarHBondContact N-O 3.47Å; F19-A106 PolarHBondContact O-N 2.9Å; F19-R108 HydrophobicContact CE2-CB 4.45Å; F19-L167 HydrophobicContact CE1-CD1 4.35Å; F19-L167 HydrophobicContact CE2-CD2 4.5Å; F19-L167 HydrophobicContact CZ-CD1 4.05Å; F19-L167 HydrophobicContact CZ-CD2 4.36Å; F19-L171 HydrophobicContact CB-CD1 3.56Å; F19-L171 HydrophobicContact CB-CD2 3.76Å; F19-L171 HydrophobicContact CB-CG 4.32Å; F19-L171 HydrophobicContact CD1-CD1 4.07Å; F19-L171 HydrophobicContact CG-CD1 3.85Å; F19-L171 HydrophobicContact CG-CD2 4.34Å
20L92.9Very high86.1Confident13 Ų1357.9 Ų57.97%0.06832%0.323CS..EExtended strand (participates in β ladder)trans-71.9119.6167.6-78165.3000109.7Q22 T31 R34 L35 L38 E104 L105L20-Q22 VanDerWaalsContact C-N 3.34Å; L20-T31 HydrophobicContact CD1-CG2 4.19Å; L20-R34 HydrophobicContact CD1-CG 4.3Å; L20-L35 HydrophobicContact CD1-CD1 4.5Å; L20-L35 HydrophobicContact CD1-CD2 3.68Å; L20-L35 HydrophobicContact CD1-CG 3.85Å; L20-L35 HydrophobicContact CG-CD2 3.81Å; L20-L38 HydrophobicContact CD2-CD1 4.05Å; L20-E104 HydrophobicContact CD2-CB 4.2Å; L20-E104 HydrophobicContact CD2-CG 3.91Å; L20-L105 HydrophobicContact CD2-CD2 3.91Å; L20-L105 HydrophobicContact CG-CD2 4.1Å
21V87.6Confident86.1Confident8 Ų856.5 Ų56.55%0.04831%0.313CS..SBendtrans-75.3-26-177.2176.70000111.9F19 E104 A106 Y141 L171 L174 S175F19-V21 PolarHBondContact O-N 3.18Å; V21-E104 PolarHBondContact N-O 2.92Å; V21-A106 HydrophobicContact CG2-CB 3.38Å; V21-Y141 HydrophobicContact CB-CE2 4.18Å; V21-Y141 HydrophobicContact CG1-CE2 4.33Å; V21-Y141 HydrophobicContact CG2-CD2 3.92Å; V21-Y141 HydrophobicContact CG2-CE2 3.64Å; V21-L171 HydrophobicContact CG2-CD2 4.37Å; V21-L174 HydrophobicContact CG2-CD2 4.47Å; V21-S175 VanDerWaalsContact CG1-CB 3.45Å; V21-S175 VanDerWaalsContact O-CB 3.29Å; V21-S175 WeakPolarHBondContact O-CB 3.49Å
22Q80.2Confident86.4Confident98 Ų9851.7 Ų51.746%0.45829%0.291SS..  trans-131.5110.9176-68.4-176.8-11.800109.8L20L20-Q22 VanDerWaalsContact C-N 3.34Å
23T70.6Confident86.4Confident76 Ų7656.2 Ų56.247%0.46631%0.311SS..  trans-88.3-7.5177.454.40000113.4G25 M26T23-G25 PolarHBondContact O-N 2.93Å; T23-M26 WeakPolarHBondContact O-CB 3.16Å; T23-M26 WeakPolarHBondContact O-CG 3.5Å; T23-M26 PolarHBondContact O-N 3.24Å
24N67.9Low86.3Confident137 Ų13758.7 Ų58.773%0.73332%0.319SS*.THydrogen-bonded Turntrans47.524.3171.3-69.9-19.8000116.9M26N24-M26 VanDerWaalsContact C-N 3.29Å
25G67.1Low86.1Confident78 Ų7858.7 Ų58.780%0.80432%0.319SS*.THydrogen-bonded Turntrans73.316.4-174.700000114.8T23T23-G25 PolarHBondContact O-N 2.93Å
26M78.1Confident85.9Confident65 Ų6560.8 Ų60.832%0.3233%0.327SS..  trans-58.5144.6172.5-68.8170.865.700110.8T23 N24 Q30 R34T23-M26 WeakPolarHBondContact O-CB 3.16Å; T23-M26 WeakPolarHBondContact O-CG 3.5Å; T23-M26 PolarHBondContact O-N 3.24Å; N24-M26 VanDerWaalsContact C-N 3.29Å; M26-Q30 HydrophobicContact CB-CB 4.14Å; M26-Q30 HydrophobicContact CE-CB 3.92Å; M26-Q30 WeakPolarHBondContact CE-O 3.43Å; M26-R34 HydrophobicContact CE-CB 3.9Å; M26-R34 HydrophobicContact CE-CG 4.38Å
27S81.4Confident85.6Confident52 Ų5265.5 Ų65.536%0.36435%0.349SS..  trans-67.9161.4171.178.10000111.1Q29 Q30 T31S27-Q29 PolarHBondContact O-N 3.3Å; S27-Q30 PolarHBondContact O-N 2.67Å; S27-Q30 WeakPolarHBondContact OG-CG 3.47Å; S27-Q30 PolarHBondContact OG-N 3.14Å; S27-Q30 VanDerWaalsContact OG-N 3.16Å; S27-T31 WeakPolarHBondContact O-CB 3.26Å; S27-T31 PolarHBondContact O-N 2.95Å; S27-T31 PolarHBondContact O-OG1 3.23Å
28S82.3Confident85.4Confident82 Ų8263.6 Ų63.657%0.57334%0.34SS*.Hα-helixtrans-54.7-40.4173.61790000111.7T31 E32S28-T31 PolarHBondContact O-N 3.35Å; S28-E32 WeakPolarHBondContact O-CB 3.36Å; S28-E32 PolarHBondContact O-N 2.86Å
29Q85.1Confident85.1Confident142 Ų14264.3 Ų64.366%0.66435%0.345SS*.Hα-helixtrans-64.9-44.7176.2-68.5175.8-21.300112.9S27 T31 E32 E33S27-Q29 PolarHBondContact O-N 3.3Å; Q29-T31 VanDerWaalsContact C-N 3.28Å; Q29-T31 PolarHBondContact O-N 3.27Å; Q29-E32 PolarHBondContact O-N 3.37Å; Q29-E33 WeakPolarHBondContact O-CG 3.49Å; Q29-E33 PolarHBondContact O-N 2.9Å
30Q86.8Confident84.8Confident102 Ų10266 Ų6648%0.47735%0.353SS..Hα-helixtrans-65-35.6176.7-72.2172.4-36.800111.9M26 S27 R34M26-Q30 HydrophobicContact CB-CB 4.14Å; M26-Q30 HydrophobicContact CE-CB 3.92Å; M26-Q30 WeakPolarHBondContact CE-O 3.43Å; S27-Q30 PolarHBondContact O-N 2.67Å; S27-Q30 WeakPolarHBondContact OG-CG 3.47Å; S27-Q30 PolarHBondContact OG-N 3.14Å; S27-Q30 VanDerWaalsContact OG-N 3.16Å; Q30-R34 WeakPolarHBondContact O-CB 3.15Å; Q30-R34 PolarHBondContact O-N 3.04Å
31T86.3Confident84.7Confident17 Ų1767.3 Ų67.310%0.10436%0.359CS..Hα-helixtrans-66.6-44.6175.7-56.30000110.8L20 S27 S28 Q29 R34 L35L20-T31 HydrophobicContact CD1-CG2 4.19Å; S27-T31 WeakPolarHBondContact O-CB 3.26Å; S27-T31 PolarHBondContact O-N 2.95Å; S27-T31 PolarHBondContact O-OG1 3.23Å; S28-T31 PolarHBondContact O-N 3.35Å; Q29-T31 VanDerWaalsContact C-N 3.28Å; Q29-T31 PolarHBondContact O-N 3.27Å; T31-R34 PolarHBondContact O-N 3.06Å; T31-L35 HydrophobicContact CG2-CD1 3.8Å; T31-L35 HydrophobicContact CG2-CG 4.41Å; T31-L35 WeakPolarHBondContact O-CB 3.3Å; T31-L35 VanDerWaalsContact O-CG 3.26Å; T31-L35 WeakPolarHBondContact O-CG 3.24Å; T31-L35 PolarHBondContact O-N 2.94Å
32E89.9Confident84.9Confident61 Ų6167 Ų6729%0.28536%0.356SS..Hα-helixtrans-59.4-47.3173.9174.1167.8-169.600112.5S28 Q29 L35 K36 Y64S28-E32 WeakPolarHBondContact O-CB 3.36Å; S28-E32 PolarHBondContact O-N 2.86Å; Q29-E32 PolarHBondContact O-N 3.37Å; E32-L35 PolarHBondContact O-N 2.83Å; E32-K36 HydrophobicContact CG-CD 4.14Å; E32-K36 WeakPolarHBondContact O-CB 3.29Å; E32-K36 VanDerWaalsContact O-CG 3.31Å; E32-K36 WeakPolarHBondContact O-CG 3.26Å; E32-K36 PolarHBondContact O-N 2.93Å; E32-K36 VanDerWaalsContact OE1-CE 3.27Å; E32-K36 WeakPolarHBondContact OE1-CE 3.34Å; E32-K36 IonicContact OE1-NZ 3.74Å; E32-K36 PolarHBondContact OE1-NZ 2.93Å; E32-Y64 HydrophobicContact CB-CE1 4.36Å; E32-Y64 HydrophobicContact CB-CE2 4.37Å; E32-Y64 WeakPolarHBondContact CB-OH 3.43Å; E32-Y64 HydrophobicContact CG-CD1 4.36Å; E32-Y64 HydrophobicContact CG-CE1 3.62Å; E32-Y64 HydrophobicContact CG-CE2 4.35Å
33E89.6Confident85.4Confident134 Ų13462.5 Ų62.563%0.62634%0.336SS*.Hα-helixtrans-61.4-44176.7-73.5174.9177.400111.8Q29 K36 H37Q29-E33 WeakPolarHBondContact O-CG 3.49Å; Q29-E33 PolarHBondContact O-N 2.9Å; E33-K36 PolarHBondContact O-N 3.35Å; E33-H37 WeakPolarHBondContact O-CB 3.44Å; E33-H37 PolarHBondContact O-N 3.21Å
34R91.3Very high86.3Confident76 Ų7659 Ų5929%0.28732%0.315SS..Hα-helixtrans-64.2-46.2177.7-178.855.7175.5167.5-3.4112.1L20 M26 Q30 T31 K36 H37 L38 E41 E104L20-R34 HydrophobicContact CD1-CG 4.3Å; M26-R34 HydrophobicContact CE-CB 3.9Å; M26-R34 HydrophobicContact CE-CG 4.38Å; Q30-R34 WeakPolarHBondContact O-CB 3.15Å; Q30-R34 PolarHBondContact O-N 3.04Å; T31-R34 PolarHBondContact O-N 3.06Å; R34-K36 PolarHBondContact O-N 3.29Å; R34-H37 PolarHBondContact O-N 3.41Å; R34-L38 HydrophobicContact CG-CD1 3.98Å; R34-L38 HydrophobicContact CG-CG 4.44Å; R34-L38 WeakPolarHBondContact O-CB 3.22Å; R34-L38 VanDerWaalsContact O-CG 3.3Å; R34-L38 WeakPolarHBondContact O-CG 3.16Å; R34-L38 PolarHBondContact O-N 2.76Å; R34-E41 IonicContact NH1-OE2 3.37Å; R34-E104 IonicContact CZ-OE1 2.84Å; R34-E104 IonicContact CZ-OE2 2.8Å; R34-E104 IonicContact NE-OE1 3.82Å; R34-E104 PolarHBondContact NE-OE1 3.04Å; R34-E104 IonicContact NH2-OE1 2.81Å; R34-E104 PolarHBondContact NH2-OE1 2.86Å; R34-E104 IonicContact NH2-OE2 3.21Å; R34-E104 PolarHBondContact NH2-OE2 3.49Å
35L91.4Very high87.4Confident0 Ų056 Ų560%030%0.295CS..Hα-helixtrans-64.5-38179.3-70.4166.7000111.9L20 T31 E32 T39 Y64 A73 I75L20-L35 HydrophobicContact CD1-CD1 4.5Å; L20-L35 HydrophobicContact CD1-CD2 3.68Å; L20-L35 HydrophobicContact CD1-CG 3.85Å; L20-L35 HydrophobicContact CG-CD2 3.81Å; T31-L35 HydrophobicContact CG2-CD1 3.8Å; T31-L35 HydrophobicContact CG2-CG 4.41Å; T31-L35 WeakPolarHBondContact O-CB 3.3Å; T31-L35 VanDerWaalsContact O-CG 3.26Å; T31-L35 WeakPolarHBondContact O-CG 3.24Å; T31-L35 PolarHBondContact O-N 2.94Å; E32-L35 PolarHBondContact O-N 2.83Å; L35-T39 PolarHBondContact O-N 3.45Å; L35-T39 PolarHBondContact O-OG1 2.88Å; L35-Y64 HydrophobicContact CB-CD2 3.74Å; L35-Y64 HydrophobicContact CB-CE2 4.11Å; L35-Y64 HydrophobicContact CD1-CD2 4.03Å; L35-Y64 HydrophobicContact CD1-CE2 3.71Å; L35-A73 HydrophobicContact CD1-CB 3.89Å; L35-I75 HydrophobicContact CB-CG1 4.24Å; L35-I75 HydrophobicContact CD2-CD1 4.26Å; L35-I75 HydrophobicContact CD2-CG1 3.94Å; L35-I75 WeakPolarHBondContact O-CD1 3.34Å
36K90.6Very high88.5Confident93 Ų9352.3 Ų52.340%0.40426%0.257SS..Hα-helixtrans-64.3-46173.4-73.6172.5-175.51710112.3E32 E33 R34 T39 E40 Y64E32-K36 HydrophobicContact CG-CD 4.14Å; E32-K36 WeakPolarHBondContact O-CB 3.29Å; E32-K36 VanDerWaalsContact O-CG 3.31Å; E32-K36 WeakPolarHBondContact O-CG 3.26Å; E32-K36 PolarHBondContact O-N 2.93Å; E32-K36 VanDerWaalsContact OE1-CE 3.27Å; E32-K36 WeakPolarHBondContact OE1-CE 3.34Å; E32-K36 IonicContact OE1-NZ 3.74Å; E32-K36 PolarHBondContact OE1-NZ 2.93Å; E33-K36 PolarHBondContact O-N 3.35Å; R34-K36 PolarHBondContact O-N 3.29Å; K36-T39 WeakPolarHBondContact O-CB 3.24Å; K36-T39 PolarHBondContact O-N 3.31Å; K36-E40 PolarHBondContact O-N 3.12Å; K36-Y64 HydrophobicContact CG-CD1 4.43Å; K36-Y64 HydrophobicContact CG-CG 4.19Å
37H90.1Very high89Confident99 Ų9949.2 Ų49.246%0.45824%0.242SC..Hα-helixtrans-60.4-46176.3-171.4-77.7000111.7E33 R34 T39 E40 E41E33-H37 WeakPolarHBondContact O-CB 3.44Å; E33-H37 PolarHBondContact O-N 3.21Å; R34-H37 PolarHBondContact O-N 3.41Å; H37-T39 VanDerWaalsContact C-N 3.31Å; H37-T39 PolarHBondContact O-N 3.37Å; H37-E40 PolarHBondContact O-N 3.4Å; H37-E41 IonicContact CE1-OE1 3.57Å; H37-E41 IonicContact CE1-OE2 3.63Å; H37-E41 PolarHBondContact CE1-OE2 3.37Å; H37-E41 IonicContact ND1-OE2 3.72Å; H37-E41 PolarHBondContact ND1-OE2 3.5Å; H37-E41 PolarHBondContact O-N 3.09Å
38L92.3Very high89.3Confident0 Ų050.3 Ų50.30%024%0.241CC..Hα-helixtrans-59.7-40175.2-74.4170.7000111.7L20 R34 E40 E41 M42 I75 F102 L105L20-L38 HydrophobicContact CD2-CD1 4.05Å; R34-L38 HydrophobicContact CG-CD1 3.98Å; R34-L38 HydrophobicContact CG-CG 4.44Å; R34-L38 WeakPolarHBondContact O-CB 3.22Å; R34-L38 VanDerWaalsContact O-CG 3.3Å; R34-L38 WeakPolarHBondContact O-CG 3.16Å; R34-L38 PolarHBondContact O-N 2.76Å; L38-E40 VanDerWaalsContact C-N 3.32Å; L38-E40 PolarHBondContact O-N 3.39Å; L38-E41 PolarHBondContact O-N 3.22Å; L38-M42 HydrophobicContact CB-SD 4.33Å; L38-M42 WeakPolarHBondContact O-CB 3.34Å; L38-M42 WeakPolarHBondContact O-CG 3.35Å; L38-M42 PolarHBondContact O-N 2.94Å; L38-I75 HydrophobicContact CB-CD1 3.84Å; L38-F102 HydrophobicContact CD2-CD1 3.72Å; L38-F102 HydrophobicContact CD2-CE1 4.04Å; L38-L105 HydrophobicContact CD1-CD1 4.45Å; L38-L105 HydrophobicContact CD1-CD2 4.19Å; L38-L105 HydrophobicContact CD1-CG 4.48Å
39T91.4Very high89.6Confident15 Ų1548.1 Ų48.19%0.09222%0.223CC..Hα-helixtrans-57.1-45.4176.9-54.40000111.4L35 K36 H37 L43 L62 I75L35-T39 PolarHBondContact O-N 3.45Å; L35-T39 PolarHBondContact O-OG1 2.88Å; K36-T39 WeakPolarHBondContact O-CB 3.24Å; K36-T39 PolarHBondContact O-N 3.31Å; H37-T39 VanDerWaalsContact C-N 3.31Å; H37-T39 PolarHBondContact O-N 3.37Å; T39-L43 HydrophobicContact CG2-CD1 4.23Å; T39-L43 WeakPolarHBondContact O-CG 3.35Å; T39-L43 PolarHBondContact O-N 3.05Å; T39-L43 VanDerWaalsContact O-N 3.1Å; T39-L62 HydrophobicContact CG2-CB 3.97Å; T39-L62 WeakPolarHBondContact CG2-O 2.91Å; T39-I75 HydrophobicContact CG2-CG2 4.35Å; T39-I75 WeakPolarHBondContact OG1-CG1 3.31Å
40E88.2Confident89.9Confident39 Ų3941.7 Ų41.718%0.18219%0.193CC..Hα-helixtrans-67.2-44.5177.3-64.7-173.3172.800111.9K36 H37 L38 A44 Q331K36-E40 PolarHBondContact O-N 3.12Å; H37-E40 PolarHBondContact O-N 3.4Å; L38-E40 VanDerWaalsContact C-N 3.32Å; L38-E40 PolarHBondContact O-N 3.39Å; E40-A44 VanDerWaalsContact O-CB 3.31Å; E40-A44 WeakPolarHBondContact O-CB 3.21Å; E40-A44 PolarHBondContact O-N 2.95Å; E40-Q331 PolarHBondContact OE1-NE2 3.47Å
41E90.6Very high89.8Confident40 Ų4038.8 Ų38.819%0.18718%0.182CC..Hα-helixtrans-64-40.6177.6-72.7-170.5115.800112.8R34 H37 L38 K45 F102 K341R34-E41 IonicContact NH1-OE2 3.37Å; H37-E41 IonicContact CE1-OE1 3.57Å; H37-E41 IonicContact CE1-OE2 3.63Å; H37-E41 PolarHBondContact CE1-OE2 3.37Å; H37-E41 IonicContact ND1-OE2 3.72Å; H37-E41 PolarHBondContact ND1-OE2 3.5Å; H37-E41 PolarHBondContact O-N 3.09Å; L38-E41 PolarHBondContact O-N 3.22Å; E41-K45 WeakPolarHBondContact O-CB 3.49Å; E41-K45 PolarHBondContact O-N 3.44Å; E41-F102 HydrophobicContact CB-CE1 4.1Å; E41-F102 HydrophobicContact CB-CZ 3.95Å; E41-K341 IonicContact OE1-NZ 2.64Å
42M92.2Very high89.6Confident0 Ų042.1 Ų42.10%020%0.197CC..Hα-helixtrans-65-51.6178.5-72.3167.866.500111L18 L38 A44 K45 V46 L62 I75 L98 F102 L105L18-M42 HydrophobicContact CD1-CE 4.06Å; L18-M42 HydrophobicContact CD2-CE 3.59Å; L18-M42 HydrophobicContact CG-CE 4.34Å; L38-M42 HydrophobicContact CB-SD 4.33Å; L38-M42 WeakPolarHBondContact O-CB 3.34Å; L38-M42 WeakPolarHBondContact O-CG 3.35Å; L38-M42 PolarHBondContact O-N 2.94Å; M42-A44 VanDerWaalsContact C-N 3.32Å; M42-A44 PolarHBondContact O-N 2.73Å; M42-K45 WeakPolarHBondContact O-CA 3.25Å; M42-K45 WeakPolarHBondContact O-CB 3.27Å; M42-K45 PolarHBondContact O-N 3.36Å; M42-V46 WeakPolarHBondContact O-CG2 3.45Å; M42-V46 PolarHBondContact O-N 3.42Å; M42-L62 HydrophobicContact CB-CD1 4.09Å; M42-L62 HydrophobicContact CE-CD1 3.74Å; M42-I75 HydrophobicContact SD-CD1 3.61Å; M42-L98 HydrophobicContact CB-CD2 3.77Å; M42-L98 HydrophobicContact CE-CB 4.37Å; M42-L98 HydrophobicContact CE-CD1 3.9Å; M42-L98 HydrophobicContact CE-CD2 4.17Å; M42-L98 HydrophobicContact CE-CG 4.38Å; M42-L98 HydrophobicContact CG-CD2 3.91Å; M42-F102 HydrophobicContact CB-CE2 4.29Å; M42-F102 HydrophobicContact CG-CD2 3.79Å; M42-F102 HydrophobicContact CG-CE2 3.56Å; M42-F102 HydrophobicContact CG-CG 4.43Å; M42-F102 HydrophobicContact CG-CZ 4.01Å; M42-L105 HydrophobicContact CE-CD1 4.11Å; M42-L105 HydrophobicContact SD-CD1 3.53Å; M42-L105 VanDerWaalsContact SD-CD1 3.53Å
43L90.3Very high89.6Confident5 Ų540 Ų403%0.02619%0.186CC..Hα-helixtrans-59.9-42.9177.2-72.2172.8000111.2T39 K45 V46 A47 F60 L62 V370T39-L43 HydrophobicContact CG2-CD1 4.23Å; T39-L43 WeakPolarHBondContact O-CG 3.35Å; T39-L43 PolarHBondContact O-N 3.05Å; T39-L43 VanDerWaalsContact O-N 3.1Å; L43-K45 PolarHBondContact O-N 2.8Å; L43-V46 PolarHBondContact O-N 3.37Å; L43-A47 VanDerWaalsContact O-CB 3.31Å; L43-A47 WeakPolarHBondContact O-CB 3.42Å; L43-A47 PolarHBondContact O-N 3.43Å; L43-F60 HydrophobicContact CD2-CE1 4.43Å; L43-L62 HydrophobicContact CD1-CB 4.38Å; L43-L62 HydrophobicContact CD2-CB 4.11Å; L43-L62 HydrophobicContact CD2-CD1 3.99Å; L43-L62 HydrophobicContact CD2-CG 4.18Å; L43-L62 HydrophobicContact CG-CB 4.22Å; L43-L62 HydrophobicContact CG-CD1 4.19Å; L43-V370 HydrophobicContact CD1-CG2 4.1Å
44A89.2Confident89.8Confident3 Ų334.1 Ų34.13%0.02516%0.159CC..Hα-helixtrans-66-22.1174.900000113.7E40 M42 F335 S338 N342E40-A44 VanDerWaalsContact O-CB 3.31Å; E40-A44 WeakPolarHBondContact O-CB 3.21Å; E40-A44 PolarHBondContact O-N 2.95Å; M42-A44 VanDerWaalsContact C-N 3.32Å; M42-A44 PolarHBondContact O-N 2.73Å; A44-F335 HydrophobicContact CB-CD2 3.99Å; A44-F335 HydrophobicContact CB-CE2 3.91Å; A44-S338 VanDerWaalsContact CB-CB 3.43Å; A44-N342 PolarHBondContact O-ND2 3.09Å
45K90.8Very high89.9Confident73 Ų7331.6 Ų31.632%0.31715%0.149SC..Hα-helixtrans-79-41.8176178.559.7177173.30111.9E41 M42 L43 H97 V101 F102 N342E41-K45 WeakPolarHBondContact O-CB 3.49Å; E41-K45 PolarHBondContact O-N 3.44Å; M42-K45 WeakPolarHBondContact O-CA 3.25Å; M42-K45 WeakPolarHBondContact O-CB 3.27Å; M42-K45 PolarHBondContact O-N 3.36Å; L43-K45 PolarHBondContact O-N 2.8Å; K45-H97 WeakPolarHBondContact CE-NE2 3.37Å; K45-V101 HydrophobicContact CG-CG1 4.38Å; K45-F102 HydrophobicContact CB-CE2 4.46Å; K45-N342 WeakPolarHBondContact CA-ND2 3.35Å; K45-N342 PolarHBondContact N-ND2 2.89Å
46V91.7Very high90Very high0 Ų031.9 Ų31.90%015%0.15CC..Hα-helixtrans-89.5-11.6180-65.80000114.3M42 L43 Q48 L49 L50 F60 L94 L98M42-V46 WeakPolarHBondContact O-CG2 3.45Å; M42-V46 PolarHBondContact O-N 3.42Å; L43-V46 PolarHBondContact O-N 3.37Å; V46-Q48 PolarHBondContact O-N 2.96Å; V46-L49 WeakPolarHBondContact O-CB 3.33Å; V46-L49 PolarHBondContact O-N 2.89Å; V46-L50 HydrophobicContact CB-CD1 4.24Å; V46-L50 HydrophobicContact CB-CG 4.36Å; V46-L50 HydrophobicContact CG2-CD1 3.53Å; V46-L50 HydrophobicContact CG2-CG 4.17Å; V46-L50 PolarHBondContact O-N 3.4Å; V46-L50 VanDerWaalsContact O-N 3.1Å; V46-F60 HydrophobicContact CG2-CE1 4.26Å; V46-L94 HydrophobicContact CB-CD2 3.99Å; V46-L94 HydrophobicContact CG1-CD2 3.79Å; V46-L98 HydrophobicContact CG1-CD1 4.25Å; V46-L98 HydrophobicContact CG1-CD2 3.8Å; V46-L98 HydrophobicContact CG1-CG 3.94Å
47A88.4Confident90Very high1 Ų131.3 Ų31.31%0.00815%0.152CC..Hα-helixtrans-47.9-37.6-179.400000114.6L43 L49 L50 V51 F335 L339 F365L43-A47 VanDerWaalsContact O-CB 3.31Å; L43-A47 WeakPolarHBondContact O-CB 3.42Å; L43-A47 PolarHBondContact O-N 3.43Å; A47-L49 VanDerWaalsContact C-N 3.26Å; A47-L49 PolarHBondContact O-N 3.34Å; A47-L50 PolarHBondContact O-N 2.82Å; A47-V51 VanDerWaalsContact O-CB 3.28Å; A47-V51 WeakPolarHBondContact O-CB 3.35Å; A47-V51 WeakPolarHBondContact O-CG2 3.39Å; A47-V51 PolarHBondContact O-N 2.92Å; A47-F335 HydrophobicContact CB-CZ 4.33Å; A47-L339 HydrophobicContact CB-CD2 3.74Å; A47-F365 HydrophobicContact CB-CD1 4.33Å; A47-F365 HydrophobicContact CB-CE1 4.01Å; A47-F365 HydrophobicContact CB-CZ 4.48Å
48Q86.9Confident90Very high75 Ų7529.9 Ų29.935%0.3515%0.146SC..Hα-helixtrans-60.8-34.6177.5-177.5174.3-2700113.1V46 Q52 Y344V46-Q48 PolarHBondContact O-N 2.96Å; Q48-Q52 PolarHBondContact O-NE2 3.4Å; Q48-Y344 HydrophobicContact CB-CD2 4.04Å
49L89.6Confident90Very high35 Ų3532.3 Ų32.318%0.18316%0.161CC..Hα-helixtrans-80.8-44.3177.9-58.2174000110.3V46 A47 Q52 F90 Y93 L94 P199 I202V46-L49 WeakPolarHBondContact O-CB 3.33Å; V46-L49 PolarHBondContact O-N 2.89Å; A47-L49 VanDerWaalsContact C-N 3.26Å; A47-L49 PolarHBondContact O-N 3.34Å; L49-Q52 PolarHBondContact O-N 2.76Å; L49-F90 HydrophobicContact CB-CE2 4.39Å; L49-F90 HydrophobicContact CB-CZ 3.98Å; L49-Y93 HydrophobicContact CD1-CE1 4.02Å; L49-L94 HydrophobicContact CB-CD2 4.49Å; L49-L94 HydrophobicContact CD1-CD2 3.87Å; L49-P199 HydrophobicContact CD2-CB 3.89Å; L49-I202 HydrophobicContact CD2-CD1 4.26Å
50L89.8Confident90.1Very high7 Ų731.7 Ų31.74%0.03716%0.157CC..Hα-helixtrans-65.4-41.2-177.5-62.6177.4000113.5V46 A47 Q52 Y53 W55 F60 F90 L94 F365V46-L50 HydrophobicContact CB-CD1 4.24Å; V46-L50 HydrophobicContact CB-CG 4.36Å; V46-L50 HydrophobicContact CG2-CD1 3.53Å; V46-L50 HydrophobicContact CG2-CG 4.17Å; V46-L50 PolarHBondContact O-N 3.4Å; V46-L50 VanDerWaalsContact O-N 3.1Å; A47-L50 PolarHBondContact O-N 2.82Å; L50-Q52 PolarHBondContact O-N 3.28Å; L50-Y53 WeakPolarHBondContact O-CB 3.46Å; L50-Y53 PolarHBondContact O-N 2.97Å; L50-Y53 VanDerWaalsContact O-N 3.09Å; L50-W55 HydrophobicContact CD2-CZ2 3.66Å; L50-F60 HydrophobicContact CD1-CD1 3.89Å; L50-F60 HydrophobicContact CD2-CB 3.88Å; L50-F60 HydrophobicContact CD2-CD1 4.17Å; L50-F60 HydrophobicContact CD2-CG 4.35Å; L50-F90 HydrophobicContact CD2-CE1 4.18Å; L50-F90 HydrophobicContact CD2-CZ 4.43Å; L50-L94 HydrophobicContact CD2-CD1 3.71Å; L50-F365 HydrophobicContact CB-CD2 4.26Å; L50-F365 HydrophobicContact CB-CE2 3.59Å; L50-F365 HydrophobicContact CB-CZ 4.24Å; L50-F365 HydrophobicContact CD1-CE2 3.62Å; L50-F365 HydrophobicContact CD1-CZ 3.57Å; L50-F365 HydrophobicContact CG-CE2 4.26Å
51V85.4Confident90.2Very high41 Ų4131 Ų3125%0.24816%0.155CC..THydrogen-bonded Turntrans-63-26.8-177.7165.10000113.3A47 Y344 C361 F365A47-V51 VanDerWaalsContact O-CB 3.28Å; A47-V51 WeakPolarHBondContact O-CB 3.35Å; A47-V51 WeakPolarHBondContact O-CG2 3.39Å; A47-V51 PolarHBondContact O-N 2.92Å; V51-Y344 HydrophobicContact CG2-CE2 4.44Å; V51-C361 HydrophobicContact CG1-CB 3.58Å; V51-F365 HydrophobicContact CG2-CB 3.73Å; V51-F365 HydrophobicContact CG2-CD2 4.12Å; V51-F365 HydrophobicContact CG2-CG 3.9Å
52Q81.4Confident90.3Very high88 Ų8829.4 Ų29.441%0.41115%0.147SC..THydrogen-bonded Turntrans-96.51.4179.3-73166.795.700112.5Q48 L49 L50Q48-Q52 PolarHBondContact O-NE2 3.4Å; L49-Q52 PolarHBondContact O-N 2.76Å; L50-Q52 PolarHBondContact O-N 3.28Å
53Y91.3Very high90.3Very high17 Ų1734.8 Ų34.87%0.06717%0.171CC..  trans-98.4129.1-174-160.9-86.1000110.9L50 W55 E86 D87 F90 I202L50-Y53 WeakPolarHBondContact O-CB 3.46Å; L50-Y53 PolarHBondContact O-N 2.97Å; L50-Y53 VanDerWaalsContact O-N 3.09Å; Y53-W55 AromaticContact CD1-CD1 3.8Å; Y53-W55 AromaticContact CD1-CD2 3.62Å; Y53-W55 HydrophobicContact CD1-CD2 3.62Å; Y53-W55 AromaticContact CD1-CE2 3.52Å; Y53-W55 HydrophobicContact CD1-CE3 4.21Å; Y53-W55 AromaticContact CD1-CG 3.79Å; Y53-W55 HydrophobicContact CD1-CG 3.79Å; Y53-W55 HydrophobicContact CD1-CZ2 4Å; Y53-W55 AromaticContact CD1-NE1 3.64Å; Y53-W55 AromaticContact CE1-CD2 3.83Å; Y53-W55 HydrophobicContact CE1-CD2 3.83Å; Y53-W55 AromaticContact CE1-CE3 3.96Å; Y53-W55 HydrophobicContact CE1-CE3 3.96Å; Y53-W55 HydrophobicContact CE1-CG 4.22Å; Y53-W55 HydrophobicContact CE1-CH2 4.47Å; Y53-W55 HydrophobicContact CE1-CZ2 4.39Å; Y53-W55 HydrophobicContact CE1-CZ3 4.27Å; Y53-W55 HydrophobicContact CG-CZ2 4.48Å; Y53-E86 PolarHBondContact OH-O 3.17Å; Y53-D87 WeakPolarHBondContact CE1-OD1 3.41Å; Y53-D87 PolarHBondContact OH-OD1 2.7Å; Y53-F90 HydrophobicContact CD1-CD1 4.16Å; Y53-F90 HydrophobicContact CD1-CE1 4.13Å; Y53-F90 AromaticContact CD2-CD1 3.47Å; Y53-F90 HydrophobicContact CD2-CD1 3.47Å; Y53-F90 VanDerWaalsContact CD2-CD1 3.47Å; Y53-F90 AromaticContact CD2-CE1 3.27Å; Y53-F90 HydrophobicContact CD2-CE1 3.27Å; Y53-F90 HydrophobicContact CD2-CG 4.25Å; Y53-F90 AromaticContact CD2-CZ 3.94Å; Y53-F90 HydrophobicContact CD2-CZ 3.94Å; Y53-F90 AromaticContact CE1-CD1 4Å; Y53-F90 HydrophobicContact CE1-CD1 4Å; Y53-F90 HydrophobicContact CE1-CE1 4.43Å; Y53-F90 HydrophobicContact CE2-CB 4.25Å; Y53-F90 AromaticContact CE2-CD1 3.29Å; Y53-F90 HydrophobicContact CE2-CD1 3.29Å; Y53-F90 AromaticContact CE2-CE1 3.66Å; Y53-F90 HydrophobicContact CE2-CE1 3.66Å; Y53-F90 AromaticContact CE2-CG 3.79Å; Y53-F90 HydrophobicContact CE2-CG 3.79Å; Y53-F90 HydrophobicContact CE2-CZ 4.42Å; Y53-F90 AromaticContact CG-CD1 3.92Å; Y53-F90 HydrophobicContact CG-CD1 3.92Å; Y53-F90 AromaticContact CG-CE1 3.56Å; Y53-F90 HydrophobicContact CG-CE1 3.56Å; Y53-F90 HydrophobicContact CG-CZ 4.45Å; Y53-F90 AromaticContact CZ-CD1 3.58Å; Y53-I202 HydrophobicContact CD2-CB 4.48Å; Y53-I202 HydrophobicContact CD2-CG1 4.25Å; Y53-I202 HydrophobicContact CD2-CG2 3.61Å; Y53-I202 HydrophobicContact CE2-CG1 4.28Å; Y53-I202 HydrophobicContact CE2-CG2 4.1Å
54I93.3Very high90.4Very high10 Ų1036.7 Ų36.75%0.05118%0.178CC..  trans-94.1107.4170.9-59.1176.2000106.5L206 V228 A229 T263 T265 L268I54-L206 HydrophobicContact CD1-CD2 4.29Å; I54-V228 HydrophobicContact CD1-CG1 4.21Å; I54-V228 HydrophobicContact CG2-CG1 3.92Å; I54-A229 HydrophobicContact CG2-CB 4.06Å; I54-T263 HydrophobicContact CD1-CG2 4.44Å; I54-T265 HydrophobicContact CB-CG2 4Å; I54-T265 HydrophobicContact CG2-CG2 4.16Å; I54-T265 WeakPolarHBondContact O-CG2 3.37Å; I54-L268 HydrophobicContact CG2-CD1 3.82Å
55W94.1Very high90.6Very high23 Ų2340 Ų409%0.08719%0.193CC..  trans-77.2149.7175.4-65.389.1000110.4L50 Y53 P59 F60 T79 D87 F90 I91 A229L50-W55 HydrophobicContact CD2-CZ2 3.66Å; Y53-W55 AromaticContact CD1-CD1 3.8Å; Y53-W55 AromaticContact CD1-CD2 3.62Å; Y53-W55 HydrophobicContact CD1-CD2 3.62Å; Y53-W55 AromaticContact CD1-CE2 3.52Å; Y53-W55 HydrophobicContact CD1-CE3 4.21Å; Y53-W55 AromaticContact CD1-CG 3.79Å; Y53-W55 HydrophobicContact CD1-CG 3.79Å; Y53-W55 HydrophobicContact CD1-CZ2 4Å; Y53-W55 AromaticContact CD1-NE1 3.64Å; Y53-W55 AromaticContact CE1-CD2 3.83Å; Y53-W55 HydrophobicContact CE1-CD2 3.83Å; Y53-W55 AromaticContact CE1-CE3 3.96Å; Y53-W55 HydrophobicContact CE1-CE3 3.96Å; Y53-W55 HydrophobicContact CE1-CG 4.22Å; Y53-W55 HydrophobicContact CE1-CH2 4.47Å; Y53-W55 HydrophobicContact CE1-CZ2 4.39Å; Y53-W55 HydrophobicContact CE1-CZ3 4.27Å; Y53-W55 HydrophobicContact CG-CZ2 4.48Å; W55-P59 HydrophobicContact CG-CB 4.17Å; W55-F60 HydrophobicContact CH2-CB 3.7Å; W55-F60 HydrophobicContact CZ2-CB 3.56Å; W55-T79 HydrophobicContact CE3-CG2 4.28Å; W55-T79 HydrophobicContact CZ3-CG2 4.26Å; W55-D87 HydrophobicContact CE3-CB 3.92Å; W55-D87 HydrophobicContact CZ3-CB 3.86Å; W55-F90 AromaticContact CH2-CD1 3.54Å; W55-F90 HydrophobicContact CH2-CD1 3.54Å; W55-F90 AromaticContact CH2-CE1 3.91Å; W55-F90 HydrophobicContact CH2-CE1 3.91Å; W55-F90 AromaticContact CZ2-CD1 3.79Å; W55-F90 HydrophobicContact CZ2-CD1 3.79Å; W55-F90 AromaticContact CZ2-CE1 3.67Å; W55-F90 HydrophobicContact CZ2-CE1 3.67Å; W55-F90 HydrophobicContact CZ3-CD1 4.34Å; W55-I91 HydrophobicContact CH2-CD1 4.15Å; W55-I91 HydrophobicContact CH2-CG1 3.75Å; W55-I91 HydrophobicContact CZ3-CD1 3.85Å; W55-I91 HydrophobicContact CZ3-CG1 3.9Å; W55-A229 WeakPolarHBondContact O-CB 3.41Å
56Q92.8Very high90.6Very high5 Ų540.3 Ų40.32%0.02320%0.203CC..SBendtrans-70.8-42.8179.8-179.768.335.100112.6Y81 N84 D87 Q271Q56-Y81 WeakPolarHBondContact CB-O 3.18Å; Q56-Y81 WeakPolarHBondContact CG-O 3.45Å; Q56-N84 HydrophobicContact CB-CB 3.65Å; Q56-N84 HydrophobicContact CG-CB 3.87Å; Q56-D87 PolarHBondContact N-OD2 3.45Å; Q56-Q271 VanDerWaalsContact NE2-NE2 3.19Å
57D90.7Very high90.5Very high81 Ų8146.9 Ų46.943%0.43323%0.233SC..SBendtrans-135.5-70.4176.1175.852.4000111.3R80D57-R80 WeakPolarHBondContact OD2-CB 3.42Å; D57-R80 WeakPolarHBondContact OD2-CD 3.32Å; D57-R80 WeakPolarHBondContact OD2-CG 3.44Å
58Q90.5Very high90.5Very high70 Ų7055.2 Ų55.233%0.32727%0.269SS..SBendtrans-107.9139.2-175.8-77.5170.232.500113.3T79 R80Q58-T79 HydrophobicContact CB-CG2 4.4Å; Q58-T79 WeakPolarHBondContact O-CG2 3.17Å; Q58-R80 HydrophobicContact CB-CB 4.37Å; Q58-R80 HydrophobicContact CG-CB 4.34Å; Q58-R80 PolarHBondContact N-O 2.89Å
59P91.8Very high90.4Very high51 Ų5154.8 Ų54.833%0.33129%0.285SS..  trans-74.3155.2174.430.5-34.7000112.6W55 N61 T79W55-P59 HydrophobicContact CG-CB 4.17Å; P59-N61 PolarHBondContact O-N 2.92Å; P59-N61 PolarHBondContact O-ND2 2.91Å; P59-T79 PolarHBondContact O-OG1 3.08Å
60F93Very high90.1Very high1 Ų159.8 Ų59.80%0.00431%0.312CS..  trans-55.2131.2165.3178.6-99.6000111.1Y16 L43 V46 L50 W55 L62 I91 L94 L98Y16-F60 HydrophobicContact CD2-CD2 4.45Å; Y16-F60 AromaticContact CD2-CE2 3.77Å; Y16-F60 HydrophobicContact CD2-CE2 3.77Å; Y16-F60 HydrophobicContact CD2-CZ 4.49Å; Y16-F60 HydrophobicContact CE1-CD2 4.19Å; Y16-F60 HydrophobicContact CE1-CE2 4.39Å; Y16-F60 AromaticContact CE2-CD2 3.58Å; Y16-F60 HydrophobicContact CE2-CD2 3.58Å; Y16-F60 AromaticContact CE2-CE2 3.22Å; Y16-F60 HydrophobicContact CE2-CE2 3.22Å; Y16-F60 AromaticContact CE2-CZ 3.99Å; Y16-F60 HydrophobicContact CE2-CZ 3.99Å; Y16-F60 AromaticContact CZ-CD2 3.44Å; Y16-F60 VanDerWaalsContact CZ-CD2 3.44Å; Y16-F60 AromaticContact CZ-CE2 3.61Å; Y16-F60 VanDerWaalsContact OH-CD2 3.32Å; Y16-F60 WeakPolarHBondContact OH-CD2 3.18Å; L43-F60 HydrophobicContact CD2-CE1 4.43Å; V46-F60 HydrophobicContact CG2-CE1 4.26Å; L50-F60 HydrophobicContact CD1-CD1 3.89Å; L50-F60 HydrophobicContact CD2-CB 3.88Å; L50-F60 HydrophobicContact CD2-CD1 4.17Å; L50-F60 HydrophobicContact CD2-CG 4.35Å; W55-F60 HydrophobicContact CH2-CB 3.7Å; W55-F60 HydrophobicContact CZ2-CB 3.56Å; F60-L62 HydrophobicContact CE1-CD1 3.64Å; F60-L62 HydrophobicContact CE1-CD2 4.22Å; F60-L62 HydrophobicContact CE1-CG 3.66Å; F60-L62 HydrophobicContact CE2-CD2 4.37Å; F60-L62 HydrophobicContact CZ-CD1 3.81Å; F60-L62 HydrophobicContact CZ-CD2 3.74Å; F60-L62 HydrophobicContact CZ-CG 3.71Å; F60-I91 HydrophobicContact CD2-CD1 4.43Å; F60-I91 HydrophobicContact CD2-CG1 3.94Å; F60-I91 HydrophobicContact CD2-CG2 4.11Å; F60-I91 HydrophobicContact CE2-CG2 4.12Å; F60-L94 HydrophobicContact CB-CD1 4.43Å; F60-L94 HydrophobicContact CD1-CD1 4.28Å; F60-L94 HydrophobicContact CD2-CD1 4.24Å; F60-L94 HydrophobicContact CG-CD1 4.07Å; F60-L98 HydrophobicContact CE1-CD1 4.5Å; F60-L98 HydrophobicContact CZ-CD1 4.07Å
61N91.7Very high90.1Very high25 Ų2560.9 Ų60.913%0.13432%0.319CS..  trans-142.2143.6-174.562.898.9000111Y16 P59 G77 S78Y16-N61 VanDerWaalsContact CE2-O 3.25Å; Y16-N61 WeakPolarHBondContact CE2-O 3.4Å; Y16-N61 PolarHBondContact OH-N 3.38Å; Y16-N61 PolarHBondContact OH-O 2.68Å; P59-N61 PolarHBondContact O-N 2.92Å; P59-N61 PolarHBondContact O-ND2 2.91Å; N61-G77 WeakPolarHBondContact O-CA 3.36Å; N61-S78 PolarHBondContact ND2-O 3.14Å
62L92.6Very high90.3Very high6 Ų660.2 Ų60.23%0.03132%0.316CS..  trans-130126.8179.8-68.4173.2000110Y16 L18 T39 M42 L43 F60 I75Y16-L62 HydrophobicContact CD2-CD2 4.1Å; Y16-L62 HydrophobicContact CE2-CD2 3.88Å; L18-L62 HydrophobicContact CD1-CD2 3.85Å; T39-L62 HydrophobicContact CG2-CB 3.97Å; T39-L62 WeakPolarHBondContact CG2-O 2.91Å; M42-L62 HydrophobicContact CB-CD1 4.09Å; M42-L62 HydrophobicContact CE-CD1 3.74Å; L43-L62 HydrophobicContact CD1-CB 4.38Å; L43-L62 HydrophobicContact CD2-CB 4.11Å; L43-L62 HydrophobicContact CD2-CD1 3.99Å; L43-L62 HydrophobicContact CD2-CG 4.18Å; L43-L62 HydrophobicContact CG-CB 4.22Å; L43-L62 HydrophobicContact CG-CD1 4.19Å; F60-L62 HydrophobicContact CE1-CD1 3.64Å; F60-L62 HydrophobicContact CE1-CD2 4.22Å; F60-L62 HydrophobicContact CE1-CG 3.66Å; F60-L62 HydrophobicContact CE2-CD2 4.37Å; F60-L62 HydrophobicContact CZ-CD1 3.81Å; F60-L62 HydrophobicContact CZ-CD2 3.74Å; F60-L62 HydrophobicContact CZ-CG 3.71Å; L62-I75 HydrophobicContact CB-CG2 3.83Å; L62-I75 HydrophobicContact CD2-CG2 3.91Å; L62-I75 HydrophobicContact CG-CG2 4.33Å
63K91.6Very high90.9Very high114 Ų11456.9 Ų56.950%0.49630%0.303SS..EExtended strand (participates in β ladder)trans-134145.6-178.4-68.1169.6-175159.10109.8H65 I75 G76K63-H65 PolarHBondContact O-CD2 3.3Å; K63-H65 VanDerWaalsContact O-CD2 3.24Å; K63-I75 CarbonylContact O-C 3.32Å; K63-I75 WeakPolarHBondContact O-CA 3.49Å; K63-G76 PolarHBondContact N-O 3.21Å; K63-G76 PolarHBondContact O-N 2.9Å
64Y92.3Very high91Very high44 Ų4456.8 Ų56.817%0.17330%0.303CS..EExtended strand (participates in β ladder)trans-73.7130.2171166.9-108.3000110.5E32 L35 K36 P66 A73E32-Y64 HydrophobicContact CB-CE1 4.36Å; E32-Y64 HydrophobicContact CB-CE2 4.37Å; E32-Y64 WeakPolarHBondContact CB-OH 3.43Å; E32-Y64 HydrophobicContact CG-CD1 4.36Å; E32-Y64 HydrophobicContact CG-CE1 3.62Å; E32-Y64 HydrophobicContact CG-CE2 4.35Å; L35-Y64 HydrophobicContact CB-CD2 3.74Å; L35-Y64 HydrophobicContact CB-CE2 4.11Å; L35-Y64 HydrophobicContact CD1-CD2 4.03Å; L35-Y64 HydrophobicContact CD1-CE2 3.71Å; K36-Y64 HydrophobicContact CG-CD1 4.43Å; K36-Y64 HydrophobicContact CG-CG 4.19Å; Y64-P66 HydrophobicContact CE1-CB 4.25Å; Y64-A73 HydrophobicContact CE2-CB 4.26Å
65H92.1Very high91.2Very high73 Ų7356.3 Ų56.334%0.33830%0.301SS..EExtended strand (participates in β ladder)trans-117.6123.9172.1-66.2-85.5000109.8K63 A73 H74K63-H65 PolarHBondContact O-CD2 3.3Å; K63-H65 VanDerWaalsContact O-CD2 3.24Å; H65-A73 WeakPolarHBondContact O-CA 3.46Å; H65-H74 PolarHBondContact N-O 2.83Å; H65-H74 PolarHBondContact O-N 2.86Å
66P91.1Very high91.2Very high80 Ų8055.3 Ų55.352%0.51930%0.298SS..  trans-68.9160.3174.331.1-35.5000111.2Y64 K68Y64-P66 HydrophobicContact CE1-CB 4.25Å; P66-K68 PolarHBondContact O-N 3.11Å
67E89.7Confident91.2Very high137 Ų13755.6 Ų55.664%0.6430%0.302SS*.  trans-54.9131.5174.6-176.1174.5-177.400111.4V71 A73E67-V71 WeakPolarHBondContact CA-O 3.13Å; E67-A73 HydrophobicContact CB-CB 4.29Å
68K88.3Confident91.3Very high176 Ų17653.9 Ų53.977%0.76530%0.296SS*.BIsolated β-bridgetrans-147.8106.4-175.5-173.5-178.9178.7-1770111.2P66 V71P66-K68 PolarHBondContact O-N 3.11Å; K68-V71 PolarHBondContact N-O 3.24Å; K68-V71 PolarHBondContact O-N 3.02Å
69G85.4Confident91.5Very high67 Ų6750.5 Ų50.569%0.69128%0.28SS*.THydrogen-bonded Turntrans63.2-136.3-173.100000110.1V71G69-V71 PolarHBondContact O-N 3.45Å
70D83.8Confident91.6Very high139 Ų13951.9 Ų51.974%0.74328%0.279SS*.THydrogen-bonded Turntrans-77.65.2179.8-54.4-62.9000114.6P72D70-P72 WeakPolarHBondContact O-CD 3.23Å
71V88.8Confident91.6Very high30 Ų3052.9 Ų52.918%0.18228%0.283CS..BIsolated β-bridgetrans-98.1114178.4-172.30000109.9F19 E67 K68 G69 L167F19-V71 HydrophobicContact CE1-CG1 4.18Å; E67-V71 WeakPolarHBondContact CA-O 3.13Å; K68-V71 PolarHBondContact N-O 3.24Å; K68-V71 PolarHBondContact O-N 3.02Å; G69-V71 PolarHBondContact O-N 3.45Å; V71-L167 HydrophobicContact CB-CD1 4.38Å; V71-L167 HydrophobicContact CG1-CD1 4.04Å; V71-L167 HydrophobicContact CG2-CD1 4.17Å
72P90.8Very high91.5Very high28 Ų2852.6 Ų52.618%0.18229%0.286CS..  trans-60161.5176.4-23.534.2000113F19 D70 H74 L167 A168 L171F19-P72 HydrophobicContact CD1-CB 4.26Å; F19-P72 HydrophobicContact CD1-CG 4.49Å; D70-P72 WeakPolarHBondContact O-CD 3.23Å; P72-H74 PolarHBondContact O-N 3.03Å; P72-H74 PolarHBondContact O-ND1 3.13Å; P72-L167 HydrophobicContact CG-CB 4.31Å; P72-A168 HydrophobicContact CG-CB 4.43Å; P72-L171 HydrophobicContact CG-CD1 4.25Å
73A92.8Very high91.3Very high17 Ų1756.9 Ų56.914%0.1431%0.308CS..SBendtrans-58.713217000000110.7L35 Y64 H65 E67L35-A73 HydrophobicContact CD1-CB 3.89Å; Y64-A73 HydrophobicContact CE2-CB 4.26Å; H65-A73 WeakPolarHBondContact O-CA 3.46Å; E67-A73 HydrophobicContact CB-CB 4.29Å
74H94.6Very high91.4Very high16 Ų1652.2 Ų52.27%0.07429%0.289CS..EExtended strand (participates in β ladder)trans-150.6166.6-17061.2-81.6000112.5L18 F19 H65 P72L18-H74 WeakPolarHBondContact O-CA 3.31Å; L18-H74 WeakPolarHBondContact O-CB 3.27Å; F19-H74 HydrophobicContact CD1-CB 3.55Å; F19-H74 HydrophobicContact CE1-CB 3.63Å; F19-H74 AromaticContact CE1-CG 3.83Å; F19-H74 AromaticContact CE1-ND1 3.97Å; F19-H74 HydrophobicContact CG-CB 4.24Å; F19-H74 HydrophobicContact CZ-CB 4.39Å; H65-H74 PolarHBondContact N-O 2.83Å; H65-H74 PolarHBondContact O-N 2.86Å; P72-H74 PolarHBondContact O-N 3.03Å; P72-H74 PolarHBondContact O-ND1 3.13Å
75I96.1Very high91.3Very high0 Ų054.6 Ų54.60%030%0.304CS..EExtended strand (participates in β ladder)trans-95.1127.1164.2-55.1169.5000106.2K17 L18 L35 L38 T39 M42 L62 K63K17-I75 CarbonylContact C-O 3.53Å; L18-I75 HydrophobicContact CB-CB 4.44Å; L18-I75 PolarHBondContact N-O 3.37Å; L18-I75 PolarHBondContact O-N 3.3Å; L35-I75 HydrophobicContact CB-CG1 4.24Å; L35-I75 HydrophobicContact CD2-CD1 4.26Å; L35-I75 HydrophobicContact CD2-CG1 3.94Å; L35-I75 WeakPolarHBondContact O-CD1 3.34Å; L38-I75 HydrophobicContact CB-CD1 3.84Å; T39-I75 HydrophobicContact CG2-CG2 4.35Å; T39-I75 WeakPolarHBondContact OG1-CG1 3.31Å; M42-I75 HydrophobicContact SD-CD1 3.61Å; L62-I75 HydrophobicContact CB-CG2 3.83Å; L62-I75 HydrophobicContact CD2-CG2 3.91Å; L62-I75 HydrophobicContact CG-CG2 4.33Å; K63-I75 CarbonylContact O-C 3.32Å; K63-I75 WeakPolarHBondContact O-CA 3.49Å
76G94.1Very high91.3Very high2 Ų252.7 Ų52.72%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-133.8158.4-175.400000112.4Y16 K63Y16-G76 CarbonylContact O-C 3.56Å; Y16-G76 VanDerWaalsContact O-CA 3.31Å; Y16-G76 WeakPolarHBondContact O-CA 3.41Å; K63-G76 PolarHBondContact N-O 3.21Å; K63-G76 PolarHBondContact O-N 2.9Å
77G93.6Very high91.5Very high11 Ų1148.9 Ų48.911%0.11327%0.27CS..EExtended strand (participates in β ladder)trans-155.6162.6172.600000111.1Y16 N61Y16-G77 VanDerWaalsContact CE2-CA 3.49Å; Y16-G77 PolarHBondContact N-O 3.05Å; Y16-G77 PolarHBondContact O-N 3.04Å; N61-G77 WeakPolarHBondContact O-CA 3.36Å
78S93.6Very high91.7Very high44 Ų4442.9 Ų42.931%0.30824%0.242SC..EExtended strand (participates in β ladder)trans-141.1133.6173.357.20000107.9V14 N61V14-S78 WeakPolarHBondContact O-CA 3.48Å; N61-S78 PolarHBondContact ND2-O 3.14Å
79T93.8Very high92Very high0 Ų035.1 Ų35.10%021%0.208CC..EExtended strand (participates in β ladder)trans-130.8122.7-179.3-69.80000108.6M13 V14 Y16 W55 Q58 P59 I91M13-T79 WeakPolarHBondContact CA-O 3.26Å; V14-T79 PolarHBondContact N-O 3.07Å; V14-T79 PolarHBondContact O-N 2.92Å; Y16-T79 PolarHBondContact OH-OG1 3.34Å; W55-T79 HydrophobicContact CE3-CG2 4.28Å; W55-T79 HydrophobicContact CZ3-CG2 4.26Å; Q58-T79 HydrophobicContact CB-CG2 4.4Å; Q58-T79 WeakPolarHBondContact O-CG2 3.17Å; P59-T79 PolarHBondContact O-OG1 3.08Å; T79-I91 HydrophobicContact CG2-CD1 3.66Å
80R93.9Very high92.5Very high80 Ų8031.9 Ų31.930%0.30218%0.175SC..EExtended strand (participates in β ladder)trans-78.5119.3166.4-175.8174.3-69.6-105.1-2.9108.3D12 M13 D57 Q58D12-R80 HydrophobicContact CB-CG 4.46Å; D12-R80 CarbonylContact O-C 3.58Å; D12-R80 VanDerWaalsContact O-CA 3.24Å; D12-R80 WeakPolarHBondContact O-CA 3.43Å; D12-R80 WeakPolarHBondContact O-CG 3.45Å; D12-R80 IonicContact OD1-CZ 3.73Å; D12-R80 IonicContact OD1-NE 2.71Å; D12-R80 IonicContact OD1-NH1 2.6Å; D12-R80 PolarHBondContact OD1-NH1 2.71Å; D12-R80 IonicContact OD1-NH2 3.85Å; D12-R80 WeakPolarHBondContact OD2-CD 3.26Å; D12-R80 WeakPolarHBondContact OD2-CG 3.27Å; D12-R80 IonicContact OD2-CZ 2.71Å; D12-R80 IonicContact OD2-NE 2.79Å; D12-R80 IonicContact OD2-NH1 3.87Å; D12-R80 PolarHBondContact OD2-NH1 2.89Å; M13-R80 HydrophobicContact CE-CB 4.36Å; D57-R80 WeakPolarHBondContact OD2-CB 3.42Å; D57-R80 WeakPolarHBondContact OD2-CD 3.32Å; D57-R80 WeakPolarHBondContact OD2-CG 3.44Å; Q58-R80 HydrophobicContact CB-CB 4.37Å; Q58-R80 HydrophobicContact CG-CB 4.34Å; Q58-R80 PolarHBondContact N-O 2.89Å
81Y92.3Very high93.1Very high22 Ų2225.3 Ų25.39%0.08614%0.14CC..  trans-99.2-12.2-177.960.6-103.1000113E11 D12 V14 Q56 D83 N84 E88E11-Y81 PolarHBondContact O-OH 3.39Å; D12-Y81 VanDerWaalsContact C-CE1 3.5Å; D12-Y81 WeakPolarHBondContact O-CD1 3.5Å; D12-Y81 PolarHBondContact O-N 3.37Å; V14-Y81 HydrophobicContact CB-CD1 4.31Å; V14-Y81 HydrophobicContact CB-CE1 4.45Å; V14-Y81 HydrophobicContact CG1-CD1 4.3Å; Q56-Y81 WeakPolarHBondContact CB-O 3.18Å; Q56-Y81 WeakPolarHBondContact CG-O 3.45Å; Y81-D83 PolarHBondContact O-N 2.95Å; Y81-N84 PolarHBondContact O-N 3.09Å; Y81-N84 VanDerWaalsContact O-N 3.12Å; Y81-E88 HydrophobicContact CD1-CB 4.18Å; Y81-E88 HydrophobicContact CG-CB 4.46Å
82G90Very high93.4Very high19 Ų1923.9 Ų23.920%0.19613%0.131CC..THydrogen-bonded Turntrans59.8-129.9-179.500000111.3
83D89.1Confident93.7Very high95 Ų9524.7 Ų24.751%0.50813%0.131SC..THydrogen-bonded Turntrans-82.2-11.6177.8-57.5-32.4000113.3Y81 I85 Q271Y81-D83 PolarHBondContact O-N 2.95Å; D83-I85 PolarHBondContact O-N 3.5Å; D83-Q271 PolarHBondContact OD2-NE2 3.46Å
84N92.8Very high93.9Very high17 Ų1723.9 Ų23.99%0.09112%0.124CC..  trans-91.782.3-172.5-16628.2000112.6Q56 Y81 E86 D87 C267Q56-N84 HydrophobicContact CB-CB 3.65Å; Q56-N84 HydrophobicContact CG-CB 3.87Å; Y81-N84 PolarHBondContact O-N 3.09Å; Y81-N84 VanDerWaalsContact O-N 3.12Å; N84-E86 PolarHBondContact O-N 3.26Å; N84-D87 PolarHBondContact ND2-OD1 2.88Å; N84-D87 WeakPolarHBondContact O-CB 3.23Å; N84-D87 PolarHBondContact O-N 3.22Å; N84-C267 HydrophobicContact CB-CB 3.93Å
85I91.3Very high94Very high94 Ų9423.1 Ų23.148%0.48212%0.121SC..Hα-helixtrans-51.1-26.1174.8-62.3167.7000112.4D83 D87 E88 W89D83-I85 PolarHBondContact O-N 3.5Å; I85-D87 VanDerWaalsContact C-N 3.27Å; I85-D87 PolarHBondContact O-N 3.18Å; I85-E88 WeakPolarHBondContact O-CB 3.39Å; I85-E88 PolarHBondContact O-N 3.45Å; I85-W89 VanDerWaalsContact O-CD1 3.31Å; I85-W89 PolarHBondContact O-N 2.97Å
86E92.4Very high93.9Very high33 Ų3324.3 Ų24.315%0.15413%0.127CC..Hα-helixtrans-70.2-17.5178.1-67.2-79.3128.100114.3Y53 N84 F90 R194 Y198 K201 N205Y53-E86 PolarHBondContact OH-O 3.17Å; N84-E86 PolarHBondContact O-N 3.26Å; E86-F90 VanDerWaalsContact O-CB 3.27Å; E86-F90 WeakPolarHBondContact O-CB 3.25Å; E86-F90 PolarHBondContact O-N 3.25Å; E86-R194 IonicContact OE1-CZ 3.33Å; E86-R194 IonicContact OE1-NH1 3.57Å; E86-R194 PolarHBondContact OE1-NH1 3.32Å; E86-R194 IonicContact OE1-NH2 2.84Å; E86-R194 PolarHBondContact OE1-NH2 2.96Å; E86-Y198 PolarHBondContact O-OH 3.27Å; E86-Y198 PolarHBondContact OE2-OH 2.87Å; E86-K201 IonicContact OE1-NZ 3.51Å; E86-K201 PolarHBondContact OE1-NZ 3.46Å; E86-K201 WeakPolarHBondContact OE2-CE 3.3Å; E86-K201 IonicContact OE2-NZ 3.71Å; E86-K201 PolarHBondContact OE2-NZ 3.41Å; E86-N205 PolarHBondContact OE2-ND2 3.16Å
87D94.6Very high94Very high0 Ų026.4 Ų26.40%014%0.136CC..Hα-helixtrans-68.5-45.1169.7-77.418.3000110.1Y53 W55 Q56 N84 I85 F90 I91Y53-D87 WeakPolarHBondContact CE1-OD1 3.41Å; Y53-D87 PolarHBondContact OH-OD1 2.7Å; W55-D87 HydrophobicContact CE3-CB 3.92Å; W55-D87 HydrophobicContact CZ3-CB 3.86Å; Q56-D87 PolarHBondContact N-OD2 3.45Å; N84-D87 PolarHBondContact ND2-OD1 2.88Å; N84-D87 WeakPolarHBondContact O-CB 3.23Å; N84-D87 PolarHBondContact O-N 3.22Å; I85-D87 VanDerWaalsContact C-N 3.27Å; I85-D87 PolarHBondContact O-N 3.18Å; D87-F90 PolarHBondContact O-N 2.74Å; D87-I91 WeakPolarHBondContact O-CG1 3.32Å; D87-I91 PolarHBondContact O-N 3.44Å
88E93.9Very high94.1Very high10 Ų1025.9 Ų25.95%0.04713%0.131CC..Hα-helixtrans-59.1-51.7175.3173.4-166.7-108.500111.2V14 Y81 I85 F90 I91 V92 F116V14-E88 HydrophobicContact CB-CG 4.32Å; V14-E88 HydrophobicContact CG2-CG 4.3Å; Y81-E88 HydrophobicContact CD1-CB 4.18Å; Y81-E88 HydrophobicContact CG-CB 4.46Å; I85-E88 WeakPolarHBondContact O-CB 3.39Å; I85-E88 PolarHBondContact O-N 3.45Å; E88-F90 PolarHBondContact O-N 2.96Å; E88-I91 WeakPolarHBondContact O-CA 3.3Å; E88-I91 WeakPolarHBondContact O-CB 3.46Å; E88-I91 PolarHBondContact O-N 3.22Å; E88-V92 PolarHBondContact O-N 3.01Å; E88-F116 HydrophobicContact CG-CE1 4.34Å; E88-F116 HydrophobicContact CG-CE2 3.77Å; E88-F116 HydrophobicContact CG-CZ 3.54Å; E88-F116 WeakPolarHBondContact OE2-CE2 3.44Å
89W94.4Very high94.2Very high13 Ų1323.8 Ų23.85%0.04912%0.116CC..Hα-helixtrans-66.7-28.3-179.1-76.185.3000112.7I85 V92 Y93 F116 L117 E120 L191 R194 L195I85-W89 VanDerWaalsContact O-CD1 3.31Å; I85-W89 PolarHBondContact O-N 2.97Å; W89-V92 HydrophobicContact CE3-CB 4.43Å; W89-V92 HydrophobicContact CE3-CG2 4.48Å; W89-V92 HydrophobicContact CZ3-CG1 4.47Å; W89-V92 PolarHBondContact O-N 3.16Å; W89-Y93 PolarHBondContact O-N 3.24Å; W89-F116 HydrophobicContact CH2-CD2 4.43Å; W89-F116 HydrophobicContact CH2-CE2 4.28Å; W89-F116 AromaticContact CZ2-CD2 3.95Å; W89-F116 HydrophobicContact CZ2-CD2 3.95Å; W89-F116 AromaticContact CZ2-CE2 3.92Å; W89-F116 HydrophobicContact CZ2-CE2 3.92Å; W89-L117 HydrophobicContact CH2-CD2 4.26Å; W89-L117 HydrophobicContact CZ3-CD2 4.32Å; W89-E120 HydrophobicContact CH2-CB 4.37Å; W89-E120 HydrophobicContact CH2-CG 3.62Å; W89-E120 HydrophobicContact CZ2-CG 3.83Å; W89-L191 HydrophobicContact CH2-CD1 4.18Å; W89-L191 HydrophobicContact CZ3-CD1 3.71Å; W89-R194 HydrophobicContact CD2-CG 3.83Å; W89-R194 HydrophobicContact CE3-CG 3.52Å; W89-R194 VanDerWaalsContact CG-NH2 3.3Å; W89-R194 HydrophobicContact CH2-CG 3.91Å; W89-R194 HydrophobicContact CZ2-CG 4.19Å; W89-R194 HydrophobicContact CZ3-CB 4.28Å; W89-R194 HydrophobicContact CZ3-CG 3.57Å; W89-L195 HydrophobicContact CE3-CD2 3.79Å; W89-L195 HydrophobicContact CE3-CG 4.33Å; W89-L195 HydrophobicContact CZ3-CD2 4.44Å
90F95.8Very high94.3Very high0 Ų029.6 Ų29.60%014%0.143CC..Hα-helixtrans-66.8-38.7168.8178.7-134.9000111.8L49 L50 Y53 W55 E86 D87 E88 Y93 L94 Y198 I202L49-F90 HydrophobicContact CB-CE2 4.39Å; L49-F90 HydrophobicContact CB-CZ 3.98Å; L50-F90 HydrophobicContact CD2-CE1 4.18Å; L50-F90 HydrophobicContact CD2-CZ 4.43Å; Y53-F90 HydrophobicContact CD1-CD1 4.16Å; Y53-F90 HydrophobicContact CD1-CE1 4.13Å; Y53-F90 AromaticContact CD2-CD1 3.47Å; Y53-F90 HydrophobicContact CD2-CD1 3.47Å; Y53-F90 VanDerWaalsContact CD2-CD1 3.47Å; Y53-F90 AromaticContact CD2-CE1 3.27Å; Y53-F90 HydrophobicContact CD2-CE1 3.27Å; Y53-F90 HydrophobicContact CD2-CG 4.25Å; Y53-F90 AromaticContact CD2-CZ 3.94Å; Y53-F90 HydrophobicContact CD2-CZ 3.94Å; Y53-F90 AromaticContact CE1-CD1 4Å; Y53-F90 HydrophobicContact CE1-CD1 4Å; Y53-F90 HydrophobicContact CE1-CE1 4.43Å; Y53-F90 HydrophobicContact CE2-CB 4.25Å; Y53-F90 AromaticContact CE2-CD1 3.29Å; Y53-F90 HydrophobicContact CE2-CD1 3.29Å; Y53-F90 AromaticContact CE2-CE1 3.66Å; Y53-F90 HydrophobicContact CE2-CE1 3.66Å; Y53-F90 AromaticContact CE2-CG 3.79Å; Y53-F90 HydrophobicContact CE2-CG 3.79Å; Y53-F90 HydrophobicContact CE2-CZ 4.42Å; Y53-F90 AromaticContact CG-CD1 3.92Å; Y53-F90 HydrophobicContact CG-CD1 3.92Å; Y53-F90 AromaticContact CG-CE1 3.56Å; Y53-F90 HydrophobicContact CG-CE1 3.56Å; Y53-F90 HydrophobicContact CG-CZ 4.45Å; Y53-F90 AromaticContact CZ-CD1 3.58Å; W55-F90 AromaticContact CH2-CD1 3.54Å; W55-F90 HydrophobicContact CH2-CD1 3.54Å; W55-F90 AromaticContact CH2-CE1 3.91Å; W55-F90 HydrophobicContact CH2-CE1 3.91Å; W55-F90 AromaticContact CZ2-CD1 3.79Å; W55-F90 HydrophobicContact CZ2-CD1 3.79Å; W55-F90 AromaticContact CZ2-CE1 3.67Å; W55-F90 HydrophobicContact CZ2-CE1 3.67Å; W55-F90 HydrophobicContact CZ3-CD1 4.34Å; E86-F90 VanDerWaalsContact O-CB 3.27Å; E86-F90 WeakPolarHBondContact O-CB 3.25Å; E86-F90 PolarHBondContact O-N 3.25Å; D87-F90 PolarHBondContact O-N 2.74Å; E88-F90 PolarHBondContact O-N 2.96Å; F90-Y93 HydrophobicContact CD2-CD1 4.08Å; F90-Y93 HydrophobicContact CE2-CD1 4.1Å; F90-Y93 WeakPolarHBondContact O-CB 3.27Å; F90-Y93 PolarHBondContact O-N 2.94Å; F90-L94 HydrophobicContact CD1-CD1 4.33Å; F90-L94 HydrophobicContact CD2-CG 4.21Å; F90-L94 HydrophobicContact CE1-CD1 3.99Å; F90-L94 HydrophobicContact CE2-CD1 4.22Å; F90-L94 HydrophobicContact CE2-CD2 3.8Å; F90-L94 HydrophobicContact CE2-CG 3.87Å; F90-L94 HydrophobicContact CZ-CD1 3.93Å; F90-L94 HydrophobicContact CZ-CD2 3.91Å; F90-L94 HydrophobicContact CZ-CG 4.06Å; F90-L94 WeakPolarHBondContact O-CG 3.42Å; F90-L94 PolarHBondContact O-N 3.33Å; F90-Y198 HydrophobicContact CB-CE1 3.88Å; F90-Y198 AromaticContact CD2-CD1 3.99Å; F90-Y198 HydrophobicContact CD2-CD1 3.99Å; F90-Y198 AromaticContact CD2-CE1 3.76Å; F90-Y198 HydrophobicContact CD2-CE1 3.76Å; F90-Y198 HydrophobicContact CG-CE1 4.18Å; F90-Y198 PolarHBondContact N-OH 2.98Å; F90-I202 HydrophobicContact CD2-CD1 4.11Å; F90-I202 HydrophobicContact CD2-CG1 4.29Å; F90-I202 HydrophobicContact CE2-CD1 3.47Å; F90-I202 VanDerWaalsContact CE2-CD1 3.47Å; F90-I202 HydrophobicContact CE2-CG1 4.12Å; F90-I202 HydrophobicContact CZ-CD1 3.85Å
91I96.1Very high94.3Very high0 Ų028.5 Ų28.50%015%0.145CC..Hα-helixtrans-62.1-42.5172.8-67.4168.8000111.2V14 Y16 W55 F60 T79 D87 E88 Y93 L94 L95V14-I91 HydrophobicContact CG1-CD1 3.62Å; Y16-I91 HydrophobicContact CD1-CG2 3.68Å; Y16-I91 HydrophobicContact CE1-CD1 4.07Å; Y16-I91 HydrophobicContact CE1-CG2 3.89Å; Y16-I91 HydrophobicContact CG-CG2 4.16Å; W55-I91 HydrophobicContact CH2-CD1 4.15Å; W55-I91 HydrophobicContact CH2-CG1 3.75Å; W55-I91 HydrophobicContact CZ3-CD1 3.85Å; W55-I91 HydrophobicContact CZ3-CG1 3.9Å; F60-I91 HydrophobicContact CD2-CD1 4.43Å; F60-I91 HydrophobicContact CD2-CG1 3.94Å; F60-I91 HydrophobicContact CD2-CG2 4.11Å; F60-I91 HydrophobicContact CE2-CG2 4.12Å; T79-I91 HydrophobicContact CG2-CD1 3.66Å; D87-I91 WeakPolarHBondContact O-CG1 3.32Å; D87-I91 PolarHBondContact O-N 3.44Å; E88-I91 WeakPolarHBondContact O-CA 3.3Å; E88-I91 WeakPolarHBondContact O-CB 3.46Å; E88-I91 PolarHBondContact O-N 3.22Å; I91-Y93 VanDerWaalsContact C-N 3.33Å; I91-Y93 PolarHBondContact O-N 3.25Å; I91-L94 WeakPolarHBondContact O-CB 3.42Å; I91-L94 PolarHBondContact O-N 2.84Å; I91-L94 VanDerWaalsContact O-N 3.15Å; I91-L95 HydrophobicContact CG2-CD1 4.14Å; I91-L95 HydrophobicContact CG2-CG 4.39Å; I91-L95 WeakPolarHBondContact O-CG 3.47Å; I91-L95 PolarHBondContact O-N 2.84Å
92V96.3Very high94.4Very high0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-58.6-44.1174.3-179.90000111.3E88 W89 L95 L96 F116 L117 I140 L195E88-V92 PolarHBondContact O-N 3.01Å; W89-V92 HydrophobicContact CE3-CB 4.43Å; W89-V92 HydrophobicContact CE3-CG2 4.48Å; W89-V92 HydrophobicContact CZ3-CG1 4.47Å; W89-V92 PolarHBondContact O-N 3.16Å; V92-L95 PolarHBondContact O-N 2.7Å; V92-L96 HydrophobicContact CG1-CD1 4.18Å; V92-L96 PolarHBondContact O-N 2.89Å; V92-F116 HydrophobicContact CG2-CE2 3.93Å; V92-F116 HydrophobicContact CG2-CZ 3.62Å; V92-L117 HydrophobicContact CB-CD2 4.41Å; V92-L117 HydrophobicContact CG1-CD2 3.68Å; V92-L117 HydrophobicContact CG2-CD2 3.76Å; V92-I140 HydrophobicContact CG1-CD1 4.41Å; V92-L195 HydrophobicContact CG1-CD1 4.14Å; V92-L195 HydrophobicContact CG1-CD2 4.45Å
93Y96.3Very high94.5Very high46 Ų4630.9 Ų30.918%0.1816%0.157CC..Hα-helixtrans-59.9-44.3173.7171.9-99.8000112.5L49 W89 F90 I91 L95 L96 H97 Y198 P199L49-Y93 HydrophobicContact CD1-CE1 4.02Å; W89-Y93 PolarHBondContact O-N 3.24Å; F90-Y93 HydrophobicContact CD2-CD1 4.08Å; F90-Y93 HydrophobicContact CE2-CD1 4.1Å; F90-Y93 WeakPolarHBondContact O-CB 3.27Å; F90-Y93 PolarHBondContact O-N 2.94Å; I91-Y93 VanDerWaalsContact C-N 3.33Å; I91-Y93 PolarHBondContact O-N 3.25Å; Y93-L95 PolarHBondContact O-N 2.85Å; Y93-L96 PolarHBondContact O-N 3.35Å; Y93-H97 PolarHBondContact O-N 3.49Å; Y93-Y198 HydrophobicContact CD1-CD1 4.26Å; Y93-Y198 HydrophobicContact CD1-CG 4.33Å; Y93-Y198 VanDerWaalsContact CD2-CB 3.43Å; Y93-Y198 HydrophobicContact CD2-CG 4.1Å; Y93-Y198 VanDerWaalsContact CE2-CB 3.48Å; Y93-Y198 HydrophobicContact CG-CD1 4.28Å; Y93-Y198 AromaticContact CG-CG 3.97Å; Y93-Y198 HydrophobicContact CG-CG 3.97Å; Y93-P199 HydrophobicContact CE1-CB 4.46Å; Y93-P199 WeakPolarHBondContact OH-CD 3.32Å
94L96.2Very high94.7Very high0 Ų029.5 Ų29.50%015%0.148CC..Hα-helixtrans-61.3-42.4176.4-67.8173.6000111.6V46 L49 L50 F60 F90 I91 H97 L98V46-L94 HydrophobicContact CB-CD2 3.99Å; V46-L94 HydrophobicContact CG1-CD2 3.79Å; L49-L94 HydrophobicContact CB-CD2 4.49Å; L49-L94 HydrophobicContact CD1-CD2 3.87Å; L50-L94 HydrophobicContact CD2-CD1 3.71Å; F60-L94 HydrophobicContact CB-CD1 4.43Å; F60-L94 HydrophobicContact CD1-CD1 4.28Å; F60-L94 HydrophobicContact CD2-CD1 4.24Å; F60-L94 HydrophobicContact CG-CD1 4.07Å; F90-L94 HydrophobicContact CD1-CD1 4.33Å; F90-L94 HydrophobicContact CD2-CG 4.21Å; F90-L94 HydrophobicContact CE1-CD1 3.99Å; F90-L94 HydrophobicContact CE2-CD1 4.22Å; F90-L94 HydrophobicContact CE2-CD2 3.8Å; F90-L94 HydrophobicContact CE2-CG 3.87Å; F90-L94 HydrophobicContact CZ-CD1 3.93Å; F90-L94 HydrophobicContact CZ-CD2 3.91Å; F90-L94 HydrophobicContact CZ-CG 4.06Å; F90-L94 WeakPolarHBondContact O-CG 3.42Å; F90-L94 PolarHBondContact O-N 3.33Å; I91-L94 WeakPolarHBondContact O-CB 3.42Å; I91-L94 PolarHBondContact O-N 2.84Å; I91-L94 VanDerWaalsContact O-N 3.15Å; L94-H97 PolarHBondContact O-N 3Å; L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.14Å; L94-L98 WeakPolarHBondContact O-CD1 3.43Å; L94-L98 WeakPolarHBondContact O-CG 3.31Å; L94-L98 PolarHBondContact O-N 2.87Å
95L96.8Very high94.8Very high0 Ų028.7 Ų28.70%014%0.144CC..Hα-helixtrans-65.7-39.3178.2-68.8173.4000112.6Y16 L18 I91 V92 Y93 L98 T99 A107 V109 I140Y16-L95 HydrophobicContact CD2-CD2 4.48Å; Y16-L95 HydrophobicContact CG-CD1 4.46Å; L18-L95 HydrophobicContact CD1-CD2 3.86Å; L18-L95 HydrophobicContact CD2-CD2 4.06Å; L18-L95 HydrophobicContact CG-CD2 4.13Å; I91-L95 HydrophobicContact CG2-CD1 4.14Å; I91-L95 HydrophobicContact CG2-CG 4.39Å; I91-L95 WeakPolarHBondContact O-CG 3.47Å; I91-L95 PolarHBondContact O-N 2.84Å; V92-L95 PolarHBondContact O-N 2.7Å; Y93-L95 PolarHBondContact O-N 2.85Å; L95-L98 PolarHBondContact O-N 3.18Å; L95-T99 WeakPolarHBondContact O-CG2 3.43Å; L95-T99 PolarHBondContact O-N 2.85Å; L95-T99 PolarHBondContact O-OG1 3.25Å; L95-A107 HydrophobicContact CB-CB 4.29Å; L95-A107 HydrophobicContact CD1-CB 4.49Å; L95-A107 HydrophobicContact CD2-CB 4.01Å; L95-A107 HydrophobicContact CG-CB 4.49Å; L95-V109 HydrophobicContact CD1-CB 3.8Å; L95-V109 HydrophobicContact CD1-CG1 4.49Å; L95-V109 HydrophobicContact CD1-CG2 3.94Å; L95-I140 HydrophobicContact CB-CD1 3.99Å; L95-I140 HydrophobicContact CD1-CD1 4.47Å
96L95.7Very high95.1Very high24 Ų2424.2 Ų24.213%0.12612%0.121CC..Hα-helixtrans-60.7-50.1172.2-78.7157.7000111.1V92 Y93 L98 T99 E100 I140 G143 L195V92-L96 HydrophobicContact CG1-CD1 4.18Å; V92-L96 PolarHBondContact O-N 2.89Å; Y93-L96 PolarHBondContact O-N 3.35Å; L96-L98 PolarHBondContact O-N 2.86Å; L96-T99 PolarHBondContact O-N 3.02Å; L96-T99 PolarHBondContact O-OG1 2.82Å; L96-T99 VanDerWaalsContact O-OG1 3.13Å; L96-E100 WeakPolarHBondContact O-CB 3.37Å; L96-E100 PolarHBondContact O-N 2.99Å; L96-I140 HydrophobicContact CD2-CG2 3.48Å; L96-I140 VanDerWaalsContact CD2-CG2 3.48Å; L96-I140 HydrophobicContact CG-CD1 4.45Å; L96-I140 HydrophobicContact CG-CG2 3.85Å; L96-G143 VanDerWaalsContact CD2-C 3.43Å; L96-G143 VanDerWaalsContact CD2-O 3.27Å; L96-G143 WeakPolarHBondContact CD2-O 3.28Å; L96-G143 WeakPolarHBondContact O-CA 3.47Å; L96-L195 HydrophobicContact CD1-CD1 3.15Å
97H94.9Very high95.3Very high47 Ų4722.6 Ų22.622%0.21811%0.113CC..Hα-helixtrans-64.5-38.2178.7-17252.7000112.8K45 Y93 L94 E100 V101K45-H97 WeakPolarHBondContact CE-NE2 3.37Å; Y93-H97 PolarHBondContact O-N 3.49Å; L94-H97 PolarHBondContact O-N 3Å; H97-E100 IonicContact ND1-OE2 3.13Å; H97-E100 PolarHBondContact ND1-OE2 2.91Å; H97-E100 PolarHBondContact O-N 2.99Å; H97-V101 WeakPolarHBondContact O-CB 3.48Å; H97-V101 VanDerWaalsContact O-CG2 3.26Å; H97-V101 WeakPolarHBondContact O-CG2 3.08Å; H97-V101 PolarHBondContact O-N 3.14Å
98L95.8Very high95.4Very high0 Ų023.8 Ų23.80%012%0.118CC..Hα-helixtrans-65.9-44.9177.1-74.8167.8000111.7M42 V46 F60 L94 L95 L96 E100 V101 F102M42-L98 HydrophobicContact CB-CD2 3.77Å; M42-L98 HydrophobicContact CE-CB 4.37Å; M42-L98 HydrophobicContact CE-CD1 3.9Å; M42-L98 HydrophobicContact CE-CD2 4.17Å; M42-L98 HydrophobicContact CE-CG 4.38Å; M42-L98 HydrophobicContact CG-CD2 3.91Å; V46-L98 HydrophobicContact CG1-CD1 4.25Å; V46-L98 HydrophobicContact CG1-CD2 3.8Å; V46-L98 HydrophobicContact CG1-CG 3.94Å; F60-L98 HydrophobicContact CE1-CD1 4.5Å; F60-L98 HydrophobicContact CZ-CD1 4.07Å; L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.14Å; L94-L98 WeakPolarHBondContact O-CD1 3.43Å; L94-L98 WeakPolarHBondContact O-CG 3.31Å; L94-L98 PolarHBondContact O-N 2.87Å; L95-L98 PolarHBondContact O-N 3.18Å; L96-L98 PolarHBondContact O-N 2.86Å; L98-E100 VanDerWaalsContact C-N 3.32Å; L98-E100 PolarHBondContact O-N 3.19Å; L98-V101 PolarHBondContact O-N 3.35Å; L98-F102 HydrophobicContact CD2-CD2 4.27Å; L98-F102 HydrophobicContact CD2-CE2 4.1Å; L98-F102 WeakPolarHBondContact O-CB 3.17Å; L98-F102 WeakPolarHBondContact O-CD2 3.42Å; L98-F102 PolarHBondContact O-N 3.3Å
99T96.1Very high95.5Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-72.1-24.8178.259.20000113.3L18 L95 L96 F102 A107 I140 R142 G143L18-T99 HydrophobicContact CD2-CG2 4.39Å; L95-T99 WeakPolarHBondContact O-CG2 3.43Å; L95-T99 PolarHBondContact O-N 2.85Å; L95-T99 PolarHBondContact O-OG1 3.25Å; L96-T99 PolarHBondContact O-N 3.02Å; L96-T99 PolarHBondContact O-OG1 2.82Å; L96-T99 VanDerWaalsContact O-OG1 3.13Å; T99-F102 CarbonylContact O-C 3.56Å; T99-A107 HydrophobicContact CG2-CB 3.93Å; T99-I140 HydrophobicContact CG2-CG2 4.37Å; T99-I140 WeakPolarHBondContact OG1-CG2 3.37Å; T99-R142 WeakPolarHBondContact O-CA 3.44Å; T99-G143 PolarHBondContact OG1-N 2.58Å
100E95.3Very high95.5Very high122 Ų12224.2 Ų24.257%0.5712%0.12SC*.Hα-helixtrans-67-48.6168.6-177.2-172.8-155.500111.5L96 H97 L98L96-E100 WeakPolarHBondContact O-CB 3.37Å; L96-E100 PolarHBondContact O-N 2.99Å; H97-E100 IonicContact ND1-OE2 3.13Å; H97-E100 PolarHBondContact ND1-OE2 2.91Å; H97-E100 PolarHBondContact O-N 2.99Å; L98-E100 VanDerWaalsContact C-N 3.32Å; L98-E100 PolarHBondContact O-N 3.19Å
101V94.9Very high95.3Very high56 Ų5624.8 Ų24.834%0.33912%0.124SC..Hα-helixtrans-72.3-33.6-179.21740000112.2K45 H97 L98 P103K45-V101 HydrophobicContact CG-CG1 4.38Å; H97-V101 WeakPolarHBondContact O-CB 3.48Å; H97-V101 VanDerWaalsContact O-CG2 3.26Å; H97-V101 WeakPolarHBondContact O-CG2 3.08Å; H97-V101 PolarHBondContact O-N 3.14Å; L98-V101 PolarHBondContact O-N 3.35Å; V101-P103 VanDerWaalsContact C-CD 3.49Å; V101-P103 VanDerWaalsContact O-CD 3.28Å; V101-P103 WeakPolarHBondContact O-CD 3.39Å
102F94.6Very high94.9Very high24 Ų2427.7 Ų27.711%0.10514%0.139CC..  trans-117.475.8-179.8-59.1-82.7000110.3L38 E41 M42 K45 L98 T99 E104 L105L38-F102 HydrophobicContact CD2-CD1 3.72Å; L38-F102 HydrophobicContact CD2-CE1 4.04Å; E41-F102 HydrophobicContact CB-CE1 4.1Å; E41-F102 HydrophobicContact CB-CZ 3.95Å; M42-F102 HydrophobicContact CB-CE2 4.29Å; M42-F102 HydrophobicContact CG-CD2 3.79Å; M42-F102 HydrophobicContact CG-CE2 3.56Å; M42-F102 HydrophobicContact CG-CG 4.43Å; M42-F102 HydrophobicContact CG-CZ 4.01Å; K45-F102 HydrophobicContact CB-CE2 4.46Å; L98-F102 HydrophobicContact CD2-CD2 4.27Å; L98-F102 HydrophobicContact CD2-CE2 4.1Å; L98-F102 WeakPolarHBondContact O-CB 3.17Å; L98-F102 WeakPolarHBondContact O-CD2 3.42Å; L98-F102 PolarHBondContact O-N 3.3Å; T99-F102 CarbonylContact O-C 3.56Å; F102-E104 PolarHBondContact O-N 3.34Å; F102-L105 HydrophobicContact CB-CD1 3.94Å; F102-L105 HydrophobicContact CB-CG 4.33Å; F102-L105 PolarHBondContact O-N 3.02Å
103P92.1Very high94.4Very high67 Ų6732.9 Ų32.944%0.43517%0.167SC..THydrogen-bonded Turntrans-702.3-172.630.2-38.5000115.2V101 Y141 R142V101-P103 VanDerWaalsContact C-CD 3.49Å; V101-P103 VanDerWaalsContact O-CD 3.28Å; V101-P103 WeakPolarHBondContact O-CD 3.39Å; P103-Y141 WeakPolarHBondContact O-CE2 3.39Å; P103-Y141 PolarHBondContact O-OH 2.84Å; P103-R142 HydrophobicContact CB-CG 4.09Å
104E92.8Very high94.1Very high66 Ų6631.8 Ų31.831%0.30817%0.169SC..THydrogen-bonded Turntrans-84.3-12.716863.8-168.5-111.200113.1L20 V21 R34 F102L20-E104 HydrophobicContact CD2-CB 4.2Å; L20-E104 HydrophobicContact CD2-CG 3.91Å; V21-E104 PolarHBondContact N-O 2.92Å; R34-E104 IonicContact CZ-OE1 2.84Å; R34-E104 IonicContact CZ-OE2 2.8Å; R34-E104 IonicContact NE-OE1 3.82Å; R34-E104 PolarHBondContact NE-OE1 3.04Å; R34-E104 IonicContact NH2-OE1 2.81Å; R34-E104 PolarHBondContact NH2-OE1 2.86Å; R34-E104 IonicContact NH2-OE2 3.21Å; R34-E104 PolarHBondContact NH2-OE2 3.49Å; F102-E104 PolarHBondContact O-N 3.34Å
105L95.3Very high93.8Very high0 Ų032.2 Ų32.20%017%0.172CC..EExtended strand (participates in β ladder)trans-103.9136.5-179.5-64.5175.6000112.4L18 F19 L20 L38 M42 F102 Y141L18-L105 HydrophobicContact CD2-CD1 4.38Å; F19-L105 WeakPolarHBondContact O-CA 3.24Å; L20-L105 HydrophobicContact CD2-CD2 3.91Å; L20-L105 HydrophobicContact CG-CD2 4.1Å; L38-L105 HydrophobicContact CD1-CD1 4.45Å; L38-L105 HydrophobicContact CD1-CD2 4.19Å; L38-L105 HydrophobicContact CD1-CG 4.48Å; M42-L105 HydrophobicContact CE-CD1 4.11Å; M42-L105 HydrophobicContact SD-CD1 3.53Å; M42-L105 VanDerWaalsContact SD-CD1 3.53Å; F102-L105 HydrophobicContact CB-CD1 3.94Å; F102-L105 HydrophobicContact CB-CG 4.33Å; F102-L105 PolarHBondContact O-N 3.02Å; L105-Y141 VanDerWaalsContact O-CD2 3.28Å; L105-Y141 WeakPolarHBondContact O-CD2 3.41Å
106A96.8Very high93.6Very high0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-113.1134.3162.300000109.4L18 F19 V21 F139 I140 Y141 L171 L174L18-A106 CarbonylContact C-O 3.5Å; L18-A106 WeakPolarHBondContact CA-O 3.29Å; F19-A106 PolarHBondContact N-O 3.47Å; F19-A106 PolarHBondContact O-N 2.9Å; V21-A106 HydrophobicContact CG2-CB 3.38Å; A106-F139 HydrophobicContact CB-CD1 4.44Å; A106-I140 CarbonylContact C-O 3.52Å; A106-I140 WeakPolarHBondContact CA-O 3.27Å; A106-Y141 HydrophobicContact CB-CD2 3.81Å; A106-Y141 HydrophobicContact CB-CG 4.31Å; A106-L171 HydrophobicContact CB-CD2 4.3Å; A106-L174 HydrophobicContact CB-CD2 3.69Å
107A97.3Very high93.5Very high0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-101142.2176.500000111.1K17 L18 L95 T99 F139 I140K17-A107 CarbonylContact O-C 3.55Å; K17-A107 VanDerWaalsContact O-CA 3.32Å; K17-A107 WeakPolarHBondContact O-CA 3.48Å; L18-A107 HydrophobicContact CD2-CB 3.94Å; L18-A107 HydrophobicContact CG-CB 3.82Å; L95-A107 HydrophobicContact CB-CB 4.29Å; L95-A107 HydrophobicContact CD1-CB 4.49Å; L95-A107 HydrophobicContact CD2-CB 4.01Å; L95-A107 HydrophobicContact CG-CB 4.49Å; T99-A107 HydrophobicContact CG2-CB 3.93Å; A107-F139 CarbonylContact O-C 3.58Å; A107-F139 WeakPolarHBondContact O-CA 3.29Å; A107-I140 HydrophobicContact CB-CB 4.3Å; A107-I140 PolarHBondContact N-O 3.07Å; A107-I140 PolarHBondContact O-N 2.98Å
108R96.2Very high93.4Very high25 Ų2530.1 Ų30.19%0.09416%0.162CC..EExtended strand (participates in β ladder)trans-111.9142.8159-174.6169177.4-115-30.7107.7Y16 K17 F19 E110 D115 N136 F139Y16-R108 CarbonylContact C-O 3.59Å; Y16-R108 WeakPolarHBondContact CA-O 3.45Å; K17-R108 PolarHBondContact N-O 3.14Å; K17-R108 PolarHBondContact O-N 3.49Å; F19-R108 HydrophobicContact CE2-CB 4.45Å; R108-E110 IonicContact CZ-OE2 3.16Å; R108-E110 IonicContact NH1-OE2 3.19Å; R108-E110 PolarHBondContact NH1-OE2 3.48Å; R108-E110 IonicContact NH2-OE2 2.69Å; R108-E110 PolarHBondContact NH2-OE2 3.45Å; R108-D115 IonicContact CZ-OD1 3.34Å; R108-D115 IonicContact NE-OD1 3.21Å; R108-D115 PolarHBondContact NE-OD1 3.15Å; R108-D115 IonicContact NH2-OD1 3.35Å; R108-D115 PolarHBondContact NH2-OD1 3.43Å; R108-N136 PolarHBondContact NH1-OD1 3.39Å; R108-F139 HydrophobicContact CB-CD1 4.45Å
109V95.8Very high93.2Very high6 Ų635 Ų354%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-134.1134.6177.666.20000107.8V14 Q15 L95 F116 L117 I140V14-V109 HydrophobicContact CG2-CG2 3.47Å; V14-V109 VanDerWaalsContact CG2-CG2 3.47Å; Q15-V109 CarbonylContact O-C 3.58Å; Q15-V109 WeakPolarHBondContact O-CA 3.29Å; L95-V109 HydrophobicContact CD1-CB 3.8Å; L95-V109 HydrophobicContact CD1-CG1 4.49Å; L95-V109 HydrophobicContact CD1-CG2 3.94Å; V109-F116 HydrophobicContact CG1-CE1 4.24Å; V109-F116 HydrophobicContact CG1-CZ 4.4Å; V109-F116 HydrophobicContact CG2-CE1 3.95Å; V109-F116 HydrophobicContact CG2-CZ 4.2Å; V109-L117 HydrophobicContact CG1-CD1 3.6Å; V109-L117 HydrophobicContact CG1-CD2 4.16Å; V109-L117 HydrophobicContact CG1-CG 3.85Å; V109-I140 HydrophobicContact CG1-CD1 4.25Å
110E93.5Very high92.9Very high25 Ų2536.5 Ų36.512%0.11719%0.194CC..EExtended strand (participates in β ladder)trans-148.4143.3-174.463-167.2154.100111.3I9 Q15 K17 R108 G114I9-E110 HydrophobicContact CD1-CG 3.78Å; Q15-E110 HydrophobicContact CB-CG 4.08Å; Q15-E110 PolarHBondContact N-O 3.3Å; Q15-E110 PolarHBondContact O-N 3.01Å; K17-E110 IonicContact NZ-OE1 2.57Å; K17-E110 PolarHBondContact NZ-OE1 2.88Å; R108-E110 IonicContact CZ-OE2 3.16Å; R108-E110 IonicContact NH1-OE2 3.19Å; R108-E110 PolarHBondContact NH1-OE2 3.48Å; R108-E110 IonicContact NH2-OE2 2.69Å; R108-E110 PolarHBondContact NH2-OE2 3.45Å; E110-G114 WeakPolarHBondContact CA-O 3.28Å; E110-G114 WeakPolarHBondContact CB-O 3.44Å
111D92.3Very high92.6Very high12 Ų1230.8 Ų30.86%0.06417%0.167CC..  trans-116.9-160.6176.568.1-17.4000110.1D113 G114 F116D111-D113 VanDerWaalsContact C-N 3.29Å; D111-D113 PolarHBondContact O-N 2.89Å; D111-D113 PolarHBondContact OD1-N 2.88Å; D111-G114 PolarHBondContact N-O 3.14Å; D111-G114 PolarHBondContact O-N 3.46Å; D111-G114 PolarHBondContact OD1-N 3.49Å; D111-F116 HydrophobicContact CB-CD1 3.87Å; D111-F116 HydrophobicContact CB-CE1 4.34Å; D111-F116 WeakPolarHBondContact OD2-CB 3.49Å
112N88.2Confident92.3Very high62 Ų6230.7 Ų30.733%0.33217%0.172SC..SBendtrans-65-28.9173.155.2-85.6000114.1E11 G114E11-N112 WeakPolarHBondContact CA-OD1 3.34Å; E11-N112 PolarHBondContact O-OD1 3.34Å; E11-N112 VanDerWaalsContact O-OD1 3.13Å; N112-G114 VanDerWaalsContact C-N 3.35Å
113D86.3Confident91.9Very high109 Ų10933 Ų3358%0.58319%0.186SC*.SBendtrans-87.3-7.4179.6-69.7-16.6000112.5D111D111-D113 VanDerWaalsContact C-N 3.29Å; D111-D113 PolarHBondContact O-N 2.89Å; D111-D113 PolarHBondContact OD1-N 2.88Å
114G89.2Confident91.8Very high22 Ų2233 Ų3323%0.22718%0.18CC..SBendtrans98.9-117175.700000111.6E110 D111 N112 F116E110-G114 WeakPolarHBondContact CA-O 3.28Å; E110-G114 WeakPolarHBondContact CB-O 3.44Å; D111-G114 PolarHBondContact N-O 3.14Å; D111-G114 PolarHBondContact O-N 3.46Å; D111-G114 PolarHBondContact OD1-N 3.49Å; N112-G114 VanDerWaalsContact C-N 3.35Å; G114-F116 VanDerWaalsContact C-N 3.28Å; G114-F116 PolarHBondContact O-N 3.04Å; G114-F116 VanDerWaalsContact O-N 3.09Å
115D90.6Very high91.7Very high10 Ų1031.8 Ų31.85%0.05318%0.175CC..SBendtrans-86.462.1-178.2-57-61.1000111.2R108 L117 L118 S134 V138R108-D115 IonicContact CZ-OD1 3.34Å; R108-D115 IonicContact NE-OD1 3.21Å; R108-D115 PolarHBondContact NE-OD1 3.15Å; R108-D115 IonicContact NH2-OD1 3.35Å; R108-D115 PolarHBondContact NH2-OD1 3.43Å; D115-L117 PolarHBondContact O-N 3.36Å; D115-L118 HydrophobicContact CB-CD1 4.12Å; D115-L118 HydrophobicContact CB-CG 4.23Å; D115-L118 WeakPolarHBondContact O-CB 3.5Å; D115-L118 WeakPolarHBondContact O-CG 3.36Å; D115-L118 PolarHBondContact O-N 3.39Å; D115-S134 WeakPolarHBondContact OD2-CB 3.35Å; D115-S134 PolarHBondContact OD2-OG 3.49Å; D115-V138 HydrophobicContact CB-CB 4.22Å; D115-V138 HydrophobicContact CB-CG2 3.94Å
116F92.5Very high91.4Very high8 Ų834.1 Ų34.14%0.03519%0.19CC..G310 helixtrans-52.5-22.6-174.471.6-87.1000115.8V14 E88 W89 V92 V109 D111 G114 L118 I119V14-F116 HydrophobicContact CG2-CE1 4.06Å; V14-F116 HydrophobicContact CG2-CZ 4.39Å; E88-F116 HydrophobicContact CG-CE1 4.34Å; E88-F116 HydrophobicContact CG-CE2 3.77Å; E88-F116 HydrophobicContact CG-CZ 3.54Å; E88-F116 WeakPolarHBondContact OE2-CE2 3.44Å; W89-F116 HydrophobicContact CH2-CD2 4.43Å; W89-F116 HydrophobicContact CH2-CE2 4.28Å; W89-F116 AromaticContact CZ2-CD2 3.95Å; W89-F116 HydrophobicContact CZ2-CD2 3.95Å; W89-F116 AromaticContact CZ2-CE2 3.92Å; W89-F116 HydrophobicContact CZ2-CE2 3.92Å; V92-F116 HydrophobicContact CG2-CE2 3.93Å; V92-F116 HydrophobicContact CG2-CZ 3.62Å; V109-F116 HydrophobicContact CG1-CE1 4.24Å; V109-F116 HydrophobicContact CG1-CZ 4.4Å; V109-F116 HydrophobicContact CG2-CE1 3.95Å; V109-F116 HydrophobicContact CG2-CZ 4.2Å; D111-F116 HydrophobicContact CB-CD1 3.87Å; D111-F116 HydrophobicContact CB-CE1 4.34Å; D111-F116 WeakPolarHBondContact OD2-CB 3.49Å; G114-F116 VanDerWaalsContact C-N 3.28Å; G114-F116 PolarHBondContact O-N 3.04Å; G114-F116 VanDerWaalsContact O-N 3.09Å; F116-L118 PolarHBondContact O-N 2.82Å; F116-I119 HydrophobicContact CB-CD1 4.04Å; F116-I119 VanDerWaalsContact O-CB 3.28Å; F116-I119 WeakPolarHBondContact O-CB 3.28Å; F116-I119 WeakPolarHBondContact O-CG1 3.42Å; F116-I119 PolarHBondContact O-N 3.08Å
117L93.8Very high91Very high3 Ų343.1 Ų43.12%0.01623%0.23CC..G310 helixtrans-53.7-26.6171.6-59.8-173000113.3W89 V92 V109 D115 I119 I140 L145 L191W89-L117 HydrophobicContact CH2-CD2 4.26Å; W89-L117 HydrophobicContact CZ3-CD2 4.32Å; V92-L117 HydrophobicContact CB-CD2 4.41Å; V92-L117 HydrophobicContact CG1-CD2 3.68Å; V92-L117 HydrophobicContact CG2-CD2 3.76Å; V109-L117 HydrophobicContact CG1-CD1 3.6Å; V109-L117 HydrophobicContact CG1-CD2 4.16Å; V109-L117 HydrophobicContact CG1-CG 3.85Å; D115-L117 PolarHBondContact O-N 3.36Å; L117-I119 VanDerWaalsContact C-N 3.33Å; L117-I140 HydrophobicContact CD1-CD1 4.06Å; L117-I140 HydrophobicContact CD1-CG1 4.09Å; L117-L145 HydrophobicContact CD1-CD1 3.85Å; L117-L191 HydrophobicContact CD2-CD1 4.19Å
118L92.6Very high90.7Very high15 Ų1546.3 Ų46.38%0.07924%0.242CC..G310 helixtrans-71-27.5177.2-62.1-175.4000112.4D115 F116 E120 A121 A122 L125 L129 V138 I147D115-L118 HydrophobicContact CB-CD1 4.12Å; D115-L118 HydrophobicContact CB-CG 4.23Å; D115-L118 WeakPolarHBondContact O-CB 3.5Å; D115-L118 WeakPolarHBondContact O-CG 3.36Å; D115-L118 PolarHBondContact O-N 3.39Å; F116-L118 PolarHBondContact O-N 2.82Å; L118-E120 PolarHBondContact O-N 3.31Å; L118-A121 CarbonylContact O-C 3.6Å; L118-A121 PolarHBondContact O-N 3.07Å; L118-A122 PolarHBondContact O-N 2.74Å; L118-L125 HydrophobicContact CB-CD1 3.9Å; L118-L125 HydrophobicContact CB-CD2 4.4Å; L118-L125 HydrophobicContact CD2-CD2 3.97Å; L118-L129 HydrophobicContact CD1-CD1 4.27Å; L118-L129 HydrophobicContact CD1-CD2 3.96Å; L118-L129 HydrophobicContact CD1-CG 3.97Å; L118-L129 HydrophobicContact CD2-CD2 3.85Å; L118-V138 HydrophobicContact CD1-CG2 3.98Å; L118-V138 HydrophobicContact CD2-CG1 4.47Å; L118-V138 HydrophobicContact CD2-CG2 4.14Å; L118-V138 HydrophobicContact CG-CG2 4.24Å; L118-I147 HydrophobicContact CD2-CD1 4.19Å
119I90.5Very high90.3Very high102 Ų10245.3 Ų45.352%0.52324%0.238SC..G310 helixtrans-62.6-43.9-177.4-58.2173.1000110.9F116 L117 A121 A122F116-I119 HydrophobicContact CB-CD1 4.04Å; F116-I119 VanDerWaalsContact O-CB 3.28Å; F116-I119 WeakPolarHBondContact O-CB 3.28Å; F116-I119 WeakPolarHBondContact O-CG1 3.42Å; F116-I119 PolarHBondContact O-N 3.08Å; L117-I119 VanDerWaalsContact C-N 3.33Å; I119-A121 PolarHBondContact O-N 2.9Å; I119-A121 VanDerWaalsContact O-N 3.16Å; I119-A122 WeakPolarHBondContact O-CB 3.34Å; I119-A122 PolarHBondContact O-N 2.98Å
120E89.9Confident89.9Confident32 Ų3248.8 Ų48.815%0.1526%0.257CS..G310 helixtrans-66.2-17.6177.3-77.6-68.2-174.400113.8W89 L118 A190 R194 R430W89-E120 HydrophobicContact CH2-CB 4.37Å; W89-E120 HydrophobicContact CH2-CG 3.62Å; W89-E120 HydrophobicContact CZ2-CG 3.83Å; L118-E120 PolarHBondContact O-N 3.31Å; E120-A190 WeakPolarHBondContact O-CB 3.24Å; E120-R194 HydrophobicContact CG-CB 4.27Å; E120-R194 HydrophobicContact CG-CG 4.1Å; E120-R194 VanDerWaalsContact OE1-CD 3.29Å; E120-R194 WeakPolarHBondContact OE1-CD 3.47Å; E120-R194 IonicContact OE1-NE 3.97Å; E120-R430 IonicContact OE2-CZ 2.86Å; E120-R430 IonicContact OE2-NH1 2.69Å; E120-R430 PolarHBondContact OE2-NH1 3.34Å; E120-R430 VanDerWaalsContact OE2-NH1 3.13Å; E120-R430 IonicContact OE2-NH2 3.51Å; E120-R430 PolarHBondContact OE2-NH2 2.75Å
121A88.9Confident89.5Confident2 Ų252.7 Ų52.72%0.01728%0.284CS..G310 helixtrans-111.912.8179.700000113.5L118 I119 D123 H124 L125 I187 A190L118-A121 CarbonylContact O-C 3.6Å; L118-A121 PolarHBondContact O-N 3.07Å; I119-A121 PolarHBondContact O-N 2.9Å; I119-A121 VanDerWaalsContact O-N 3.16Å; A121-D123 VanDerWaalsContact C-N 3.31Å; A121-D123 PolarHBondContact O-N 2.85Å; A121-H124 CarbonylContact O-C 3.51Å; A121-H124 WeakPolarHBondContact O-CA 3.39Å; A121-H124 PolarHBondContact O-N 3.18Å; A121-L125 HydrophobicContact CB-CD2 4.05Å; A121-L125 WeakPolarHBondContact O-CG 3.44Å; A121-L125 PolarHBondContact O-N 2.97Å; A121-I187 HydrophobicContact CB-CB 4.18Å; A121-I187 HydrophobicContact CB-CG1 4.22Å; A121-I187 HydrophobicContact CB-CG2 3.76Å; A121-A190 HydrophobicContact CB-CB 4.24Å
122A88.6Confident89.2Confident54 Ų5459.1 Ų59.145%0.44632%0.319SS..G310 helixtrans-47.1-48.2-171.800000113.5L118 I119 H124 L125L118-A122 PolarHBondContact O-N 2.74Å; I119-A122 WeakPolarHBondContact O-CB 3.34Å; I119-A122 PolarHBondContact O-N 2.98Å; A122-H124 PolarHBondContact O-N 3.32Å; A122-L125 PolarHBondContact O-N 2.72Å
123D86.7Confident89.1Confident73 Ų7357.5 Ų57.539%0.3931%0.311SS..G310 helixtrans-64.3-7.2-179.4-48.7-67.8000114.3A121 R430A121-D123 VanDerWaalsContact C-N 3.31Å; A121-D123 PolarHBondContact O-N 2.85Å; D123-R430 WeakPolarHBondContact OD2-CB 3.18Å
124H90.1Very high89.3Confident66 Ų6652.7 Ų52.731%0.30629%0.286SS..G310 helixtrans-126.10.8-174.2-58.5-21.1000113.1A121 A122 K186 I187A121-H124 CarbonylContact O-C 3.51Å; A121-H124 WeakPolarHBondContact O-CA 3.39Å; A121-H124 PolarHBondContact O-N 3.18Å; A122-H124 PolarHBondContact O-N 3.32Å; H124-K186 HydrophobicContact CB-CB 3.94Å; H124-I187 HydrophobicContact CB-CG1 3.9Å; H124-I187 WeakPolarHBondContact O-CD1 3.26Å; H124-I187 WeakPolarHBondContact O-CG1 3.35Å
125L91.1Very high89.4Confident41 Ų4156.2 Ų56.222%0.21530%0.297CS..SBendtrans-70.9148.4176.4-56.6-176.1000111.1L118 A121 A122 L129 I187L118-L125 HydrophobicContact CB-CD1 3.9Å; L118-L125 HydrophobicContact CB-CD2 4.4Å; L118-L125 HydrophobicContact CD2-CD2 3.97Å; A121-L125 HydrophobicContact CB-CD2 4.05Å; A121-L125 WeakPolarHBondContact O-CG 3.44Å; A121-L125 PolarHBondContact O-N 2.97Å; A122-L125 PolarHBondContact O-N 2.72Å; L125-L129 HydrophobicContact CD2-CD2 4.3Å; L125-I187 HydrophobicContact CD2-CD1 4.11Å; L125-I187 HydrophobicContact CD2-CG1 4.29Å
126P89.2Confident89.4Confident49 Ų4956.4 Ų56.432%0.31830%0.298SS..  trans-61.9138.4165.3-18.632.2000110.5W128 L129P126-W128 VanDerWaalsContact CB-CD1 3.44Å; P126-W128 HydrophobicContact CB-CD2 4.43Å; P126-W128 HydrophobicContact CB-CG 4.15Å; P126-W128 VanDerWaalsContact CB-NE1 3.26Å; P126-W128 HydrophobicContact CG-CZ2 4.44Å; P126-W128 PolarHBondContact O-N 2.8Å; P126-L129 PolarHBondContact O-N 3.01Å
127K88.3Confident89.5Confident190 Ų19056.1 Ų56.183%0.82630%0.296SS*.THydrogen-bonded Turntrans-53.2-13.3177.8-68-161175.8-159.70116
128W89.7Confident89.6Confident66 Ų6656.2 Ų56.225%0.2530%0.297CS..THydrogen-bonded Turntrans-90.6-19.2178.469-104.7000113.5P126 N130 T133 I147 L148 L161P126-W128 VanDerWaalsContact CB-CD1 3.44Å; P126-W128 HydrophobicContact CB-CD2 4.43Å; P126-W128 HydrophobicContact CB-CG 4.15Å; P126-W128 VanDerWaalsContact CB-NE1 3.26Å; P126-W128 HydrophobicContact CG-CZ2 4.44Å; P126-W128 PolarHBondContact O-N 2.8Å; W128-N130 PolarHBondContact O-N 2.95Å; W128-T133 PolarHBondContact O-OG1 2.95Å; W128-I147 HydrophobicContact CH2-CG2 4.04Å; W128-I147 HydrophobicContact CZ2-CG2 4.44Å; W128-L148 WeakPolarHBondContact CH2-O 3.33Å; W128-L161 HydrophobicContact CB-CD1 4.4Å; W128-L161 HydrophobicContact CB-CD2 3.75Å; W128-L161 HydrophobicContact CD2-CD2 4.02Å; W128-L161 HydrophobicContact CE3-CD2 3.7Å; W128-L161 HydrophobicContact CG-CD2 4.07Å
129L89.6Confident89.8Confident4 Ų455.6 Ų55.62%0.02129%0.294CS..  trans-92.386.2-173.4-178.568.3000109.9L118 L125 P126 I147L118-L129 HydrophobicContact CD1-CD1 4.27Å; L118-L129 HydrophobicContact CD1-CD2 3.96Å; L118-L129 HydrophobicContact CD1-CG 3.97Å; L118-L129 HydrophobicContact CD2-CD2 3.85Å; L125-L129 HydrophobicContact CD2-CD2 4.3Å; P126-L129 PolarHBondContact O-N 3.01Å; L129-I147 HydrophobicContact CD1-CG2 4.39Å; L129-I147 HydrophobicContact CD2-CD1 3.89Å; L129-I147 HydrophobicContact CD2-CG2 3.89Å
130N86.9Confident90.1Very high79 Ų7950.8 Ų50.842%0.42227%0.269SS..  trans-115.3166.9178.3-55.7-15.2000109.5W128 D132 T133 S134W128-N130 PolarHBondContact O-N 2.95Å; N130-D132 PolarHBondContact O-N 3.32Å; N130-D132 VanDerWaalsContact O-N 3.13Å; N130-T133 PolarHBondContact N-OG1 3.4Å; N130-T133 PolarHBondContact O-N 3.35Å; N130-T133 PolarHBondContact O-OG1 2.79Å; N130-S134 PolarHBondContact O-N 3.21Å; N130-S134 VanDerWaalsContact O-N 3.09Å
131P85.6Confident90.4Very high107 Ų10749.5 Ų49.570%0.69526%0.263SS*.Hα-helixtrans-50.9-38.6-179-29.937.1000114.6T133P131-T133 PolarHBondContact O-N 3.05Å; P131-T133 VanDerWaalsContact O-N 3.09Å
132D84.1Confident90.7Very high147 Ų14754.9 Ų54.979%0.78628%0.283SS*.Hα-helixtrans-65.5-12.7177.8-51.6-59.6000114.5N130N130-D132 PolarHBondContact O-N 3.32Å; N130-D132 VanDerWaalsContact O-N 3.13Å
133T87.4Confident91Very high29 Ų2953.1 Ų53.118%0.17827%0.269CS..Hα-helixtrans-124.3-14.9-169.665.90000114.1W128 N130 P131 E135 R137W128-T133 PolarHBondContact O-OG1 2.95Å; N130-T133 PolarHBondContact N-OG1 3.4Å; N130-T133 PolarHBondContact O-N 3.35Å; N130-T133 PolarHBondContact O-OG1 2.79Å; P131-T133 PolarHBondContact O-N 3.05Å; P131-T133 VanDerWaalsContact O-N 3.09Å; T133-E135 VanDerWaalsContact C-N 3.28Å; T133-E135 PolarHBondContact O-N 3.3Å; T133-R137 WeakPolarHBondContact O-CD 3.47Å; T133-R137 PolarHBondContact O-NE 2.95Å; T133-R137 VanDerWaalsContact O-NE 3.1Å
134S89.8Confident91.4Very high8 Ų851.8 Ų51.86%0.05626%0.261CS..Hα-helixtrans-76.2-16.7-175.971.30000113.1D115 N130 N136 R137D115-S134 WeakPolarHBondContact OD2-CB 3.35Å; D115-S134 PolarHBondContact OD2-OG 3.49Å; N130-S134 PolarHBondContact O-N 3.21Å; N130-S134 VanDerWaalsContact O-N 3.09Å; S134-N136 PolarHBondContact O-N 3.17Å; S134-R137 WeakPolarHBondContact O-CB 3.46Å; S134-R137 PolarHBondContact O-N 3.25Å
135E90.8Very high91.7Very high96 Ų9648.8 Ų48.845%0.44925%0.247SC..THydrogen-bonded Turntrans-50.3121.8-174.6-159.7-159.2144.500112.1T133 R137 V164T133-E135 VanDerWaalsContact C-N 3.28Å; T133-E135 PolarHBondContact O-N 3.3Å; E135-R137 PolarHBondContact O-N 2.98Å; E135-V164 HydrophobicContact CB-CG1 4.03Å; E135-V164 HydrophobicContact CG-CG1 4.17Å
136N92.2Very high91.9Very high14 Ų1447.2 Ų47.28%0.07524%0.239CC..THydrogen-bonded Turntrans58.224-178.5-51.3-47.2000114.7R108 S134 F139 P165 L167 A170R108-N136 PolarHBondContact NH1-OD1 3.39Å; S134-N136 PolarHBondContact O-N 3.17Å; N136-F139 VanDerWaalsContact O-CE2 3.29Å; N136-F139 WeakPolarHBondContact O-CE2 3.27Å; N136-P165 HydrophobicContact CB-CG 4.33Å; N136-P165 WeakPolarHBondContact CB-O 3.49Å; N136-P165 PolarHBondContact ND2-O 3.24Å; N136-L167 HydrophobicContact CB-CD2 4.1Å; N136-L167 WeakPolarHBondContact OD1-CD2 3.42Å; N136-A170 WeakPolarHBondContact O-CB 3.28Å
137R93.9Very high92.2Very high2 Ų245.6 Ų45.61%0.00823%0.227CC..THydrogen-bonded Turntrans-110.4-19.4175-57.6-170.6-174.5-121.8-1.8114.8T133 S134 E135 I147 L148 C150 F159 S160 V163 P165T133-R137 WeakPolarHBondContact O-CD 3.47Å; T133-R137 PolarHBondContact O-NE 2.95Å; T133-R137 VanDerWaalsContact O-NE 3.1Å; S134-R137 WeakPolarHBondContact O-CB 3.46Å; S134-R137 PolarHBondContact O-N 3.25Å; E135-R137 PolarHBondContact O-N 2.98Å; R137-I147 CarbonylContact O-C 3.57Å; R137-I147 WeakPolarHBondContact O-CA 3.37Å; R137-L148 HydrophobicContact CB-CB 4.12Å; R137-L148 HydrophobicContact CB-CG 4.48Å; R137-L148 HydrophobicContact CG-CB 4.37Å; R137-L148 PolarHBondContact O-N 2.86Å; R137-C150 PolarHBondContact NH1-SG 3.44Å; R137-F159 PolarHBondContact NH1-O 3.37Å; R137-S160 PolarHBondContact NH2-O 2.97Å; R137-V163 PolarHBondContact NH2-O 3.24Å; R137-P165 HydrophobicContact CG-CG 4.09Å
138V95.3Very high92.4Very high5 Ų536.6 Ų36.63%0.0319%0.188CC..EExtended strand (participates in β ladder)trans-98.3125.1-176.8-171.40000110.7D115 L118 L145D115-V138 HydrophobicContact CB-CB 4.22Å; D115-V138 HydrophobicContact CB-CG2 3.94Å; L118-V138 HydrophobicContact CD1-CG2 3.98Å; L118-V138 HydrophobicContact CD2-CG1 4.47Å; L118-V138 HydrophobicContact CD2-CG2 4.14Å; L118-V138 HydrophobicContact CG-CG2 4.24Å; V138-L145 HydrophobicContact CG1-CD1 3.85Å
139F96.8Very high92.4Very high1 Ų134.5 Ų34.50%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-141.1142.6-179.8-63.1-87000111.7A106 A107 R108 N136 H146 L148 L167 A170 L171 L174A106-F139 HydrophobicContact CB-CD1 4.44Å; A107-F139 CarbonylContact O-C 3.58Å; A107-F139 WeakPolarHBondContact O-CA 3.29Å; R108-F139 HydrophobicContact CB-CD1 4.45Å; N136-F139 VanDerWaalsContact O-CE2 3.29Å; N136-F139 WeakPolarHBondContact O-CE2 3.27Å; F139-H146 PolarHBondContact N-O 2.86Å; F139-H146 WeakPolarHBondContact O-CA 3.4Å; F139-H146 PolarHBondContact O-N 2.97Å; F139-H146 VanDerWaalsContact O-O 3.13Å; F139-L148 HydrophobicContact CD2-CD2 4.47Å; F139-L148 HydrophobicContact CD2-CG 4.32Å; F139-L148 HydrophobicContact CE2-CD1 3.94Å; F139-L148 HydrophobicContact CE2-CG 4.12Å; F139-L167 HydrophobicContact CE1-CD2 4.46Å; F139-L167 HydrophobicContact CZ-CD2 4.35Å; F139-A170 HydrophobicContact CE2-CB 3.95Å; F139-A170 HydrophobicContact CZ-CB 3.76Å; F139-L171 HydrophobicContact CE1-CD2 4.25Å; F139-L174 HydrophobicContact CB-CD2 4.03Å; F139-L174 HydrophobicContact CD1-CD2 4.48Å; F139-L174 HydrophobicContact CD2-CD2 4.4Å; F139-L174 HydrophobicContact CG-CD2 4.05Å
140I97.1Very high92.3Very high1 Ų135 Ų351%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-90.6121.1161.6-56.4171.4000107V92 L95 L96 T99 A106 A107 V109 L117 L145V92-I140 HydrophobicContact CG1-CD1 4.41Å; L95-I140 HydrophobicContact CB-CD1 3.99Å; L95-I140 HydrophobicContact CD1-CD1 4.47Å; L96-I140 HydrophobicContact CD2-CG2 3.48Å; L96-I140 VanDerWaalsContact CD2-CG2 3.48Å; L96-I140 HydrophobicContact CG-CD1 4.45Å; L96-I140 HydrophobicContact CG-CG2 3.85Å; T99-I140 HydrophobicContact CG2-CG2 4.37Å; T99-I140 WeakPolarHBondContact OG1-CG2 3.37Å; A106-I140 CarbonylContact C-O 3.52Å; A106-I140 WeakPolarHBondContact CA-O 3.27Å; A107-I140 HydrophobicContact CB-CB 4.3Å; A107-I140 PolarHBondContact N-O 3.07Å; A107-I140 PolarHBondContact O-N 2.98Å; V109-I140 HydrophobicContact CG1-CD1 4.25Å; L117-I140 HydrophobicContact CD1-CD1 4.06Å; L117-I140 HydrophobicContact CD1-CG1 4.09Å; I140-L145 HydrophobicContact CG1-CD1 4.42Å
141Y96.9Very high92Very high6 Ų633.9 Ų33.92%0.02418%0.184CC..EExtended strand (participates in β ladder)trans-141133.8179.9-176.2-126.3000110.3V21 P103 L105 A106 G143 E144 H146 L174 P178V21-Y141 HydrophobicContact CB-CE2 4.18Å; V21-Y141 HydrophobicContact CG1-CE2 4.33Å; V21-Y141 HydrophobicContact CG2-CD2 3.92Å; V21-Y141 HydrophobicContact CG2-CE2 3.64Å; P103-Y141 WeakPolarHBondContact O-CE2 3.39Å; P103-Y141 PolarHBondContact O-OH 2.84Å; L105-Y141 VanDerWaalsContact O-CD2 3.28Å; L105-Y141 WeakPolarHBondContact O-CD2 3.41Å; A106-Y141 HydrophobicContact CB-CD2 3.81Å; A106-Y141 HydrophobicContact CB-CG 4.31Å; Y141-G143 PolarHBondContact O-N 3.09Å; Y141-E144 PolarHBondContact N-O 2.69Å; Y141-E144 PolarHBondContact O-N 3.15Å; Y141-H146 PolarHBondContact O-CE1 2.86Å; Y141-H146 PolarHBondContact O-ND1 3.46Å; Y141-L174 HydrophobicContact CD1-CD1 4.15Å; Y141-L174 HydrophobicContact CD1-CD2 4.49Å; Y141-L174 HydrophobicContact CD1-CG 4.21Å; Y141-L174 HydrophobicContact CG-CD2 4.23Å; Y141-L174 HydrophobicContact CG-CG 4.45Å; Y141-P178 HydrophobicContact CE1-CB 4.23Å
142R94.8Very high91.6Very high115 Ų11532.1 Ų32.143%0.43417%0.174SC..THydrogen-bonded Turntrans5137.4-177.5-56.6-179.8-177170.75.4114.2T99 P103 E144T99-R142 WeakPolarHBondContact O-CA 3.44Å; P103-R142 HydrophobicContact CB-CG 4.09Å; R142-E144 VanDerWaalsContact C-N 3.3Å; R142-E144 PolarHBondContact O-N 2.9Å
143G93.9Very high90.7Very high16 Ų1636.1 Ų36.117%0.16518%0.184CC..THydrogen-bonded Turntrans73.314.2-178.800000115.5L96 T99 Y141L96-G143 VanDerWaalsContact CD2-C 3.43Å; L96-G143 VanDerWaalsContact CD2-O 3.27Å; L96-G143 WeakPolarHBondContact CD2-O 3.28Å; L96-G143 WeakPolarHBondContact O-CA 3.47Å; T99-G143 PolarHBondContact OG1-N 2.58Å; Y141-G143 PolarHBondContact O-N 3.09Å
144E95.4Very high89.7Confident45 Ų4540.2 Ų40.221%0.2121%0.214CC..EExtended strand (participates in β ladder)trans-134.4150.3178.6-64.6-78.6-178.800111.5Y141 R142 H146 L182 R188 K192Y141-E144 PolarHBondContact N-O 2.69Å; Y141-E144 PolarHBondContact O-N 3.15Å; R142-E144 VanDerWaalsContact C-N 3.3Å; R142-E144 PolarHBondContact O-N 2.9Å; E144-H146 PolarHBondContact O-ND1 2.69Å; E144-L182 HydrophobicContact CB-CD1 3.84Å; E144-L182 HydrophobicContact CG-CD1 4.4Å; E144-R188 VanDerWaalsContact CD-NH1 3.28Å; E144-R188 IonicContact OE1-NH1 3.76Å; E144-R188 PolarHBondContact OE1-NH1 2.76Å; E144-R188 WeakPolarHBondContact OE2-CD 3.07Å; E144-R188 IonicContact OE2-CZ 3.81Å; E144-R188 IonicContact OE2-NH1 3.44Å; E144-R188 PolarHBondContact OE2-NH1 3Å; E144-K192 VanDerWaalsContact CD-NZ 3.3Å; E144-K192 IonicContact OE1-NZ 3.7Å; E144-K192 PolarHBondContact OE1-NZ 3.21Å; E144-K192 WeakPolarHBondContact OE2-CE 3.01Å; E144-K192 IonicContact OE2-NZ 2.7Å; E144-K192 PolarHBondContact OE2-NZ 2.9Å
145L96.4Very high88.9Confident3 Ų341.8 Ų41.82%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-73.3131.8174-168.171.2000110.9L117 V138 I140 I147 A183 I187 R188 L191L117-L145 HydrophobicContact CD1-CD1 3.85Å; V138-L145 HydrophobicContact CG1-CD1 3.85Å; I140-L145 HydrophobicContact CG1-CD1 4.42Å; L145-I147 HydrophobicContact CD2-CD1 4.44Å; L145-A183 HydrophobicContact CB-CB 4.3Å; L145-A183 HydrophobicContact CD2-CB 4.42Å; L145-A183 HydrophobicContact CG-CB 4.4Å; L145-A183 WeakPolarHBondContact O-CB 3.37Å; L145-A183 PolarHBondContact O-N 2.89Å; L145-I187 HydrophobicContact CD2-CG2 3.7Å; L145-R188 HydrophobicContact CB-CG 4.45Å; L145-L191 HydrophobicContact CB-CD2 4.07Å; L145-L191 HydrophobicContact CD2-CD2 4.43Å
146H96Very high88.3Confident9 Ų942.7 Ų42.74%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-122.5137.8175.9-67.166.8000109.6F139 Y141 E144 L174 P178 C181F139-H146 PolarHBondContact N-O 2.86Å; F139-H146 WeakPolarHBondContact O-CA 3.4Å; F139-H146 PolarHBondContact O-N 2.97Å; F139-H146 VanDerWaalsContact O-O 3.13Å; Y141-H146 PolarHBondContact O-CE1 2.86Å; Y141-H146 PolarHBondContact O-ND1 3.46Å; E144-H146 PolarHBondContact O-ND1 2.69Å; H146-L174 HydrophobicContact CB-CD1 3.87Å; H146-P178 PolarHBondContact CD2-O 3.32Å; H146-C181 CarbonylContact C-O 3.56Å; H146-C181 WeakPolarHBondContact CA-O 3.49Å; H146-C181 HydrophobicContact CB-CB 4.28Å; H146-C181 WeakPolarHBondContact CB-O 3.48Å
147I95.1Very high87.9Confident15 Ų1544.3 Ų44.38%0.07725%0.25CS..EExtended strand (participates in β ladder)trans-128.5121.5179.1-62.1169000106.9L118 W128 L129 R137 L145 C181 A183 I187L118-I147 HydrophobicContact CD2-CD1 4.19Å; W128-I147 HydrophobicContact CH2-CG2 4.04Å; W128-I147 HydrophobicContact CZ2-CG2 4.44Å; L129-I147 HydrophobicContact CD1-CG2 4.39Å; L129-I147 HydrophobicContact CD2-CD1 3.89Å; L129-I147 HydrophobicContact CD2-CG2 3.89Å; R137-I147 CarbonylContact O-C 3.57Å; R137-I147 WeakPolarHBondContact O-CA 3.37Å; L145-I147 HydrophobicContact CD2-CD1 4.44Å; I147-C181 PolarHBondContact N-O 3.15Å; I147-C181 VanDerWaalsContact O-O 3.13Å; I147-A183 HydrophobicContact CD1-CB 3.94Å; I147-A183 HydrophobicContact CG1-CB 4.18Å; I147-I187 HydrophobicContact CD1-CD1 4.05Å; I147-I187 HydrophobicContact CD1-CG2 4.43Å
148L93.3Very high87.4Confident0 Ų045.1 Ų45.10%026%0.259CS..PPolyproline II helixtrans-67.5126-179.1-58.1-171.7000110.8W128 R137 F139 F159 A170 L173 L174 C181W128-L148 WeakPolarHBondContact CH2-O 3.33Å; R137-L148 HydrophobicContact CB-CB 4.12Å; R137-L148 HydrophobicContact CB-CG 4.48Å; R137-L148 HydrophobicContact CG-CB 4.37Å; R137-L148 PolarHBondContact O-N 2.86Å; F139-L148 HydrophobicContact CD2-CD2 4.47Å; F139-L148 HydrophobicContact CD2-CG 4.32Å; F139-L148 HydrophobicContact CE2-CD1 3.94Å; F139-L148 HydrophobicContact CE2-CG 4.12Å; L148-F159 HydrophobicContact CD1-CD2 4.39Å; L148-F159 HydrophobicContact CD1-CE2 4.06Å; L148-A170 HydrophobicContact CD1-CB 3.53Å; L148-L173 HydrophobicContact CD2-CD2 4.31Å; L148-L174 HydrophobicContact CD2-CB 4.26Å; L148-C181 HydrophobicContact CD2-CB 4.11Å; L148-C181 VanDerWaalsContact CD2-SG 3.59Å
149P89.6Confident87Confident22 Ų2246.5 Ų46.514%0.14326%0.264CS..PPolyproline II helixtrans-72.1161.8-172.330.1-37.3000112.7I157 G158 F159 V180P149-I157 HydrophobicContact CG-CG2 4.49Å; P149-G158 CarbonylContact O-C 3.57Å; P149-G158 WeakPolarHBondContact O-CA 3.36Å; P149-F159 PolarHBondContact O-N 2.56Å; P149-F159 VanDerWaalsContact O-N 3.12Å; P149-V180 HydrophobicContact CG-CG1 4.18Å
150C86.1Confident86.4Confident16 Ų1649.5 Ų49.511%0.10829%0.286CS..PPolyproline II helixtrans-96.7138.9164.1-69.50000110.4R137 S152 F159 L161R137-C150 PolarHBondContact NH1-SG 3.44Å; C150-S152 PolarHBondContact O-N 3.38Å; C150-S152 PolarHBondContact O-OG 2.88Å; C150-F159 PolarHBondContact SG-O 3.35Å; C150-L161 WeakPolarHBondContact SG-CD2 3.42Å
151P82.4Confident85.6Confident55 Ų5553.4 Ų53.436%0.35731%0.306SS..PPolyproline II helixtrans-55.6129.3176.6-24.934.2000111.4S155 F159P151-S155 WeakPolarHBondContact CA-O 3.39Å; P151-F159 VanDerWaalsContact CD-O 3.25Å; P151-F159 WeakPolarHBondContact CD-O 3.37Å
152S76.7Confident84.9Confident69 Ų6960.7 Ų60.748%0.48335%0.346SS..BIsolated β-bridgetrans-126.1163.4-178.1-700000110.2C150 S154 S155C150-S152 PolarHBondContact O-N 3.38Å; C150-S152 PolarHBondContact O-OG 2.88Å; S152-S154 PolarHBondContact O-N 2.99Å; S152-S155 PolarHBondContact N-O 2.81Å; S152-S155 CarbonylContact O-C 3.37Å; S152-S155 VanDerWaalsContact O-C 3.32Å; S152-S155 PolarHBondContact O-N 3.01Å; S152-S155 VanDerWaalsContact O-O 3.09Å
153K65.5Low84.5Confident231 Ų23158.8 Ų58.8100%1.00435%0.346SS*.THydrogen-bonded Turntrans-56.2-22.6179.9-65.2178.1-178.2173.20113.7
154S66.6Low84.2Confident115 Ų11561.4 Ų61.480%0.80436%0.359SS*.THydrogen-bonded Turntrans-95.9-14176.749.40000114.9S152S152-S154 PolarHBondContact O-N 2.99Å
155S71.3Confident83.9Confident42 Ų4259.3 Ų59.329%0.29435%0.349SS..BIsolated β-bridgetrans-154.3107.5-171.853.50000111.1P151 S152 I157P151-S155 WeakPolarHBondContact CA-O 3.39Å; S152-S155 PolarHBondContact N-O 2.81Å; S152-S155 CarbonylContact O-C 3.37Å; S152-S155 VanDerWaalsContact O-C 3.32Å; S152-S155 PolarHBondContact O-N 3.01Å; S152-S155 VanDerWaalsContact O-O 3.09Å; S155-I157 PolarHBondContact O-N 3.19Å
156S78.3Confident83.7Confident114 Ų11461 Ų6180%0.79736%0.361SS*.  trans-78.210.9178.7620000114.4
157I83.6Confident83.5Confident49 Ų4961.3 Ų61.325%0.25136%0.363SS..  trans-95129.8-178.3-60.7169.2000108P149 S155 L173 H177 V180P149-I157 HydrophobicContact CG-CG2 4.49Å; S155-I157 PolarHBondContact O-N 3.19Å; I157-L173 HydrophobicContact CG2-CD2 4.18Å; I157-H177 HydrophobicContact CG2-CB 4.35Å; I157-V180 HydrophobicContact CD1-CG2 4.44Å; I157-V180 HydrophobicContact CG2-CG1 4.48Å
158G85.1Confident83.3Confident18 Ų1862.9 Ų62.919%0.18638%0.379CS..SBendtrans136.9-175.9178.300000113.5P149P149-G158 CarbonylContact O-C 3.57Å; P149-G158 WeakPolarHBondContact O-CA 3.36Å
159F85.9Confident83.2Confident34 Ų3467.7 Ų67.715%0.14940%0.401CS..  trans-111.3135.8170.8-60.2-83.7000110.3R137 L148 P149 C150 P151 P165 Q169 L173R137-F159 PolarHBondContact NH1-O 3.37Å; L148-F159 HydrophobicContact CD1-CD2 4.39Å; L148-F159 HydrophobicContact CD1-CE2 4.06Å; P149-F159 PolarHBondContact O-N 2.56Å; P149-F159 VanDerWaalsContact O-N 3.12Å; C150-F159 PolarHBondContact SG-O 3.35Å; P151-F159 VanDerWaalsContact CD-O 3.25Å; P151-F159 WeakPolarHBondContact CD-O 3.37Å; F159-P165 HydrophobicContact CD1-CB 3.91Å; F159-P165 HydrophobicContact CD2-CB 3.67Å; F159-P165 HydrophobicContact CD2-CG 4.01Å; F159-P165 HydrophobicContact CE1-CB 3.93Å; F159-P165 HydrophobicContact CE2-CB 3.69Å; F159-P165 HydrophobicContact CE2-CG 4.34Å; F159-P165 HydrophobicContact CG-CB 3.79Å; F159-P165 HydrophobicContact CG-CG 4.3Å; F159-P165 HydrophobicContact CZ-CB 3.83Å; F159-Q169 HydrophobicContact CE1-CB 4.04Å; F159-Q169 HydrophobicContact CZ-CB 3.8Å; F159-L173 HydrophobicContact CD2-CD1 3.97Å; F159-L173 HydrophobicContact CE2-CB 4.1Å; F159-L173 HydrophobicContact CE2-CD1 3.44Å; F159-L173 VanDerWaalsContact CE2-CD1 3.44Å; F159-L173 HydrophobicContact CE2-CG 4.37Å; F159-L173 HydrophobicContact CZ-CB 4.36Å; F159-L173 HydrophobicContact CZ-CD1 3.89Å
160S84.4Confident83.4Confident64 Ų6466.6 Ų66.645%0.44839%0.394SS..  trans-53.2156.1173.4-58.60000111.7R137 D162 V163R137-S160 PolarHBondContact NH2-O 2.97Å; S160-D162 VanDerWaalsContact C-N 3.33Å; S160-D162 PolarHBondContact O-N 3.33Å; S160-V163 PolarHBondContact O-N 3Å
161L80.6Confident83.7Confident84 Ų8466.3 Ų66.344%0.4439%0.391SS..THydrogen-bonded Turntrans-63.3-39.4-179-69.7165.7000112.1W128 C150 V163W128-L161 HydrophobicContact CB-CD1 4.4Å; W128-L161 HydrophobicContact CB-CD2 3.75Å; W128-L161 HydrophobicContact CD2-CD2 4.02Å; W128-L161 HydrophobicContact CE3-CD2 3.7Å; W128-L161 HydrophobicContact CG-CD2 4.07Å; C150-L161 WeakPolarHBondContact SG-CD2 3.42Å; L161-V163 PolarHBondContact O-N 2.94Å
162D81.5Confident84.1Confident159 Ų15968.2 Ų68.285%0.8540%0.402SS*.THydrogen-bonded Turntrans-73.35-178.2-37.2-57.7000114.3S160S160-D162 VanDerWaalsContact C-N 3.33Å; S160-D162 PolarHBondContact O-N 3.33Å
163V85.9Confident84.9Confident74 Ų7466 Ų6645%0.44838%0.384SS..  trans-129.7114.2-174.2-178.20000110.1R137 S160 L161 P165R137-V163 PolarHBondContact NH2-O 3.24Å; S160-V163 PolarHBondContact O-N 3Å; L161-V163 PolarHBondContact O-N 2.94Å; V163-P165 WeakPolarHBondContact O-CD 3.44Å
164V87.8Confident86.2Confident71 Ų7155 Ų5543%0.4334%0.336SS..PPolyproline II helixtrans-73.3121.4165.6178.40000108.5E135E135-V164 HydrophobicContact CB-CG1 4.03Å; E135-V164 HydrophobicContact CG-CG1 4.17Å
165P90.6Very high87.4Confident1 Ų151 Ų511%0.00631%0.309CS..PPolyproline II helixtrans-71143.7175.829.2-33000110.9N136 R137 F159 V163 A170N136-P165 HydrophobicContact CB-CG 4.33Å; N136-P165 WeakPolarHBondContact CB-O 3.49Å; N136-P165 PolarHBondContact ND2-O 3.24Å; R137-P165 HydrophobicContact CG-CG 4.09Å; F159-P165 HydrophobicContact CD1-CB 3.91Å; F159-P165 HydrophobicContact CD2-CB 3.67Å; F159-P165 HydrophobicContact CD2-CG 4.01Å; F159-P165 HydrophobicContact CE1-CB 3.93Å; F159-P165 HydrophobicContact CE2-CB 3.69Å; F159-P165 HydrophobicContact CE2-CG 4.34Å; F159-P165 HydrophobicContact CG-CB 3.79Å; F159-P165 HydrophobicContact CG-CG 4.3Å; F159-P165 HydrophobicContact CZ-CB 3.83Å; V163-P165 WeakPolarHBondContact O-CD 3.44Å; P165-A170 HydrophobicContact CB-CB 4.48Å
166S91.9Very high88.4Confident38 Ų3851.8 Ų51.827%0.26632%0.318SS..PPolyproline II helixtrans-71.2151.4167.678.40000110.4A168 Q169 A170S166-A168 PolarHBondContact O-N 3.26Å; S166-A168 VanDerWaalsContact O-N 3.16Å; S166-Q169 WeakPolarHBondContact O-CB 3.26Å; S166-Q169 PolarHBondContact O-N 2.78Å; S166-Q169 WeakPolarHBondContact OG-CG 3.44Å; S166-Q169 PolarHBondContact OG-N 3.14Å; S166-A170 WeakPolarHBondContact O-CB 3.46Å; S166-A170 PolarHBondContact O-N 3.31Å
167L91.9Very high89Confident16 Ų1649.9 Ų49.98%0.08430%0.296CS..Hα-helixtrans-54.4-37.8179.8-77.4169.3000112.6F19 V71 P72 N136 F139 A170 L171F19-L167 HydrophobicContact CE1-CD1 4.35Å; F19-L167 HydrophobicContact CE2-CD2 4.5Å; F19-L167 HydrophobicContact CZ-CD1 4.05Å; F19-L167 HydrophobicContact CZ-CD2 4.36Å; V71-L167 HydrophobicContact CB-CD1 4.38Å; V71-L167 HydrophobicContact CG1-CD1 4.04Å; V71-L167 HydrophobicContact CG2-CD1 4.17Å; P72-L167 HydrophobicContact CG-CB 4.31Å; N136-L167 HydrophobicContact CB-CD2 4.1Å; N136-L167 WeakPolarHBondContact OD1-CD2 3.42Å; F139-L167 HydrophobicContact CE1-CD2 4.46Å; F139-L167 HydrophobicContact CZ-CD2 4.35Å; L167-A170 PolarHBondContact O-N 2.89Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CD1 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.47Å; L167-L171 PolarHBondContact O-N 3.08Å
168A90.1Very high89.3Confident49 Ų4948.5 Ų48.541%0.40529%0.29SS..Hα-helixtrans-64-42.5175.200000112.7P72 S166 V172P72-A168 HydrophobicContact CG-CB 4.43Å; S166-A168 PolarHBondContact O-N 3.26Å; S166-A168 VanDerWaalsContact O-N 3.16Å; A168-V172 VanDerWaalsContact O-CG2 3.29Å; A168-V172 WeakPolarHBondContact O-CG2 3.38Å; A168-V172 PolarHBondContact O-N 2.9Å; A168-V172 VanDerWaalsContact O-N 3.1Å
169Q91.6Very high89.6Confident100 Ų10054.6 Ų54.647%0.46731%0.314SS..Hα-helixtrans-67.7-41.2176.8-69.1170.5-14.700111.8F159 S166 V172 L173F159-Q169 HydrophobicContact CE1-CB 4.04Å; F159-Q169 HydrophobicContact CZ-CB 3.8Å; S166-Q169 WeakPolarHBondContact O-CB 3.26Å; S166-Q169 PolarHBondContact O-N 2.78Å; S166-Q169 WeakPolarHBondContact OG-CG 3.44Å; S166-Q169 PolarHBondContact OG-N 3.14Å; Q169-V172 PolarHBondContact O-N 3.31Å; Q169-L173 PolarHBondContact O-N 2.86Å
170A93.1Very high89.8Confident0 Ų056.1 Ų56.10%033%0.326CS..Hα-helixtrans-58.3-49.7176.500000111.8N136 F139 L148 P165 S166 L167 L173 L174N136-A170 WeakPolarHBondContact O-CB 3.28Å; F139-A170 HydrophobicContact CE2-CB 3.95Å; F139-A170 HydrophobicContact CZ-CB 3.76Å; L148-A170 HydrophobicContact CD1-CB 3.53Å; P165-A170 HydrophobicContact CB-CB 4.48Å; S166-A170 WeakPolarHBondContact O-CB 3.46Å; S166-A170 PolarHBondContact O-N 3.31Å; L167-A170 PolarHBondContact O-N 2.89Å; A170-L173 PolarHBondContact O-N 3.5Å; A170-L174 WeakPolarHBondContact O-CB 3.47Å; A170-L174 PolarHBondContact O-N 2.95Å
171L92.9Very high90.2Very high9 Ų953.1 Ų53.15%0.04731%0.305CS..Hα-helixtrans-64.2-39.9177.3-68.6166.4000112.4F19 V21 P72 A106 F139 L167 L174 S175F19-L171 HydrophobicContact CB-CD1 3.56Å; F19-L171 HydrophobicContact CB-CD2 3.76Å; F19-L171 HydrophobicContact CB-CG 4.32Å; F19-L171 HydrophobicContact CD1-CD1 4.07Å; F19-L171 HydrophobicContact CG-CD1 3.85Å; F19-L171 HydrophobicContact CG-CD2 4.34Å; V21-L171 HydrophobicContact CG2-CD2 4.37Å; P72-L171 HydrophobicContact CG-CD1 4.25Å; A106-L171 HydrophobicContact CB-CD2 4.3Å; F139-L171 HydrophobicContact CE1-CD2 4.25Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CD1 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.47Å; L167-L171 PolarHBondContact O-N 3.08Å; L171-L174 PolarHBondContact O-N 3.47Å; L171-S175 WeakPolarHBondContact O-CB 3.45Å; L171-S175 PolarHBondContact O-N 2.7Å
172V92Very high90.9Very high95 Ų9551.6 Ų51.658%0.57630%0.297SS*.Hα-helixtrans-61.3-44.9174.8167.70000111.2A168 Q169 S175 A176A168-V172 VanDerWaalsContact O-CG2 3.29Å; A168-V172 WeakPolarHBondContact O-CG2 3.38Å; A168-V172 PolarHBondContact O-N 2.9Å; A168-V172 VanDerWaalsContact O-N 3.1Å; Q169-V172 PolarHBondContact O-N 3.31Å; V172-S175 PolarHBondContact O-N 3.13Å; V172-S175 PolarHBondContact O-OG 3.47Å; V172-A176 WeakPolarHBondContact O-CB 3.4Å; V172-A176 PolarHBondContact O-N 3.01Å; V172-A176 VanDerWaalsContact O-N 3.08Å
173L92.2Very high91.5Very high22 Ų2244.3 Ų44.312%0.11526%0.259CS..Hα-helixtrans-65-45.3178.7-161.4157000111.2L148 I157 F159 Q169 A170 S175 A176 H177 C181L148-L173 HydrophobicContact CD2-CD2 4.31Å; I157-L173 HydrophobicContact CG2-CD2 4.18Å; F159-L173 HydrophobicContact CD2-CD1 3.97Å; F159-L173 HydrophobicContact CE2-CB 4.1Å; F159-L173 HydrophobicContact CE2-CD1 3.44Å; F159-L173 VanDerWaalsContact CE2-CD1 3.44Å; F159-L173 HydrophobicContact CE2-CG 4.37Å; F159-L173 HydrophobicContact CZ-CB 4.36Å; F159-L173 HydrophobicContact CZ-CD1 3.89Å; Q169-L173 PolarHBondContact O-N 2.86Å; A170-L173 PolarHBondContact O-N 3.5Å; L173-S175 VanDerWaalsContact C-N 3.27Å; L173-S175 PolarHBondContact O-N 2.91Å; L173-A176 PolarHBondContact O-N 2.94Å; L173-A176 VanDerWaalsContact O-N 3.16Å; L173-H177 PolarHBondContact O-N 2.8Å; L173-C181 WeakPolarHBondContact CD2-SG 3.45Å
174L93.6Very high91.9Very high0 Ų043 Ų430%025%0.253CS..Hα-helixtrans-57.3-39.7174.2-17663.1000112.1V21 A106 F139 Y141 H146 L148 A170 L171 P178 C181V21-L174 HydrophobicContact CG2-CD2 4.47Å; A106-L174 HydrophobicContact CB-CD2 3.69Å; F139-L174 HydrophobicContact CB-CD2 4.03Å; F139-L174 HydrophobicContact CD1-CD2 4.48Å; F139-L174 HydrophobicContact CD2-CD2 4.4Å; F139-L174 HydrophobicContact CG-CD2 4.05Å; Y141-L174 HydrophobicContact CD1-CD1 4.15Å; Y141-L174 HydrophobicContact CD1-CD2 4.49Å; Y141-L174 HydrophobicContact CD1-CG 4.21Å; Y141-L174 HydrophobicContact CG-CD2 4.23Å; Y141-L174 HydrophobicContact CG-CG 4.45Å; H146-L174 HydrophobicContact CB-CD1 3.87Å; L148-L174 HydrophobicContact CD2-CB 4.26Å; A170-L174 WeakPolarHBondContact O-CB 3.47Å; A170-L174 PolarHBondContact O-N 2.95Å; L171-L174 PolarHBondContact O-N 3.47Å; L174-P178 WeakPolarHBondContact O-CD 3.23Å; L174-C181 HydrophobicContact CD1-CB 3.87Å
175S91.5Very high92.2Very high32 Ų3244.4 Ų44.422%0.22426%0.263CS..Hα-helixtrans-67.5-34.3177.985.70000113.4V21 L171 V172 L173V21-S175 VanDerWaalsContact CG1-CB 3.45Å; V21-S175 VanDerWaalsContact O-CB 3.29Å; V21-S175 WeakPolarHBondContact O-CB 3.49Å; L171-S175 WeakPolarHBondContact O-CB 3.45Å; L171-S175 PolarHBondContact O-N 2.7Å; V172-S175 PolarHBondContact O-N 3.13Å; V172-S175 PolarHBondContact O-OG 3.47Å; L173-S175 VanDerWaalsContact C-N 3.27Å; L173-S175 PolarHBondContact O-N 2.91Å
176A91.4Very high92.3Very high58 Ų5850.4 Ų50.448%0.47929%0.289SS..Hα-helixtrans-86.5-34.4-174.900000112.7V172 L173V172-A176 WeakPolarHBondContact O-CB 3.4Å; V172-A176 PolarHBondContact O-N 3.01Å; V172-A176 VanDerWaalsContact O-N 3.08Å; L173-A176 PolarHBondContact O-N 2.94Å; L173-A176 VanDerWaalsContact O-N 3.16Å
177H91.1Very high92.5Very high75 Ų7548.8 Ų48.835%0.34728%0.278SS..  trans-135.554-171.7-58.9-47000113.1I157 L173 E179 V180 C181I157-H177 HydrophobicContact CG2-CB 4.35Å; L173-H177 PolarHBondContact O-N 2.8Å; H177-E179 VanDerWaalsContact C-N 3.32Å; H177-E179 PolarHBondContact O-N 3.43Å; H177-V180 HydrophobicContact CB-CB 4.14Å; H177-V180 HydrophobicContact CB-CG2 4.05Å; H177-V180 PolarHBondContact O-N 3.46Å; H177-V180 VanDerWaalsContact O-N 3.07Å; H177-C181 PolarHBondContact O-N 3.34Å; H177-C181 VanDerWaalsContact O-N 3.09Å; H177-C181 PolarHBondContact O-SG 3.01Å
178P90.8Very high92.6Very high19 Ų1950.3 Ų50.312%0.12328%0.282CS..Hα-helixtrans-58-43-177.123.8-33.8000112.2Y141 H146 L174 V180 C181 L182Y141-P178 HydrophobicContact CE1-CB 4.23Å; H146-P178 PolarHBondContact CD2-O 3.32Å; L174-P178 WeakPolarHBondContact O-CD 3.23Å; P178-V180 PolarHBondContact O-N 2.91Å; P178-C181 CarbonylContact O-C 3.56Å; P178-C181 PolarHBondContact O-N 3.27Å; P178-C181 VanDerWaalsContact O-N 3.09Å; P178-L182 PolarHBondContact O-N 3.5Å
179E90.9Very high92.7Very high146 Ų14651.6 Ų51.668%0.68229%0.289SS*.Hα-helixtrans-60.9-28178.4-53.8-56.8145.600113.8H177H177-E179 VanDerWaalsContact C-N 3.32Å; H177-E179 PolarHBondContact O-N 3.43Å
180V90.7Very high92.7Very high66 Ų6647.9 Ų47.940%0.428%0.275SS..Hα-helixtrans-86.9-27.6178.8-167.10000110.9P149 I157 H177 P178 L182P149-V180 HydrophobicContact CG-CG1 4.18Å; I157-V180 HydrophobicContact CD1-CG2 4.44Å; I157-V180 HydrophobicContact CG2-CG1 4.48Å; H177-V180 HydrophobicContact CB-CB 4.14Å; H177-V180 HydrophobicContact CB-CG2 4.05Å; H177-V180 PolarHBondContact O-N 3.46Å; H177-V180 VanDerWaalsContact O-N 3.07Å; P178-V180 PolarHBondContact O-N 2.91Å; V180-L182 VanDerWaalsContact C-N 3.34Å
181C92.3Very high92.7Very high1 Ų148.1 Ų48.11%0.00728%0.276CS..Hα-helixtrans-82.3-12.5174.1-56.10000112.5H146 I147 L148 L173 L174 H177 P178 A183H146-C181 CarbonylContact C-O 3.56Å; H146-C181 WeakPolarHBondContact CA-O 3.49Å; H146-C181 HydrophobicContact CB-CB 4.28Å; H146-C181 WeakPolarHBondContact CB-O 3.48Å; I147-C181 PolarHBondContact N-O 3.15Å; I147-C181 VanDerWaalsContact O-O 3.13Å; L148-C181 HydrophobicContact CD2-CB 4.11Å; L148-C181 VanDerWaalsContact CD2-SG 3.59Å; L173-C181 WeakPolarHBondContact CD2-SG 3.45Å; L174-C181 HydrophobicContact CD1-CB 3.87Å; H177-C181 PolarHBondContact O-N 3.34Å; H177-C181 VanDerWaalsContact O-N 3.09Å; H177-C181 PolarHBondContact O-SG 3.01Å; P178-C181 CarbonylContact O-C 3.56Å; P178-C181 PolarHBondContact O-N 3.27Å; P178-C181 VanDerWaalsContact O-N 3.09Å; C181-A183 PolarHBondContact O-N 3.08Å
182L94.7Very high92.6Very high52 Ų5252.9 Ų52.927%0.27230%0.296SS..BIsolated β-bridgetrans-63124.5-178.6-175.463.8000110.7E144 P178 V180E144-L182 HydrophobicContact CB-CD1 3.84Å; E144-L182 HydrophobicContact CG-CD1 4.4Å; P178-L182 PolarHBondContact O-N 3.5Å; V180-L182 VanDerWaalsContact C-N 3.34Å
183A94Very high92.6Very high6 Ų654.7 Ų54.75%0.0530%0.296CS..PPolyproline II helixtrans-63.5157.6-177.200000112.2L145 I147 C181 I187 R188L145-A183 HydrophobicContact CB-CB 4.3Å; L145-A183 HydrophobicContact CD2-CB 4.42Å; L145-A183 HydrophobicContact CG-CB 4.4Å; L145-A183 WeakPolarHBondContact O-CB 3.37Å; L145-A183 PolarHBondContact O-N 2.89Å; I147-A183 HydrophobicContact CD1-CB 3.94Å; I147-A183 HydrophobicContact CG1-CB 4.18Å; C181-A183 PolarHBondContact O-N 3.08Å; A183-I187 HydrophobicContact CB-CB 4.36Å; A183-I187 HydrophobicContact CB-CG2 4.04Å; A183-R188 HydrophobicContact CB-CG 3.88Å; A183-R188 WeakPolarHBondContact O-CD 3.22Å; A183-R188 PolarHBondContact O-NE 3.31Å
184S93.9Very high92.6Very high47 Ų4756.5 Ų56.533%0.32930%0.302SS..PPolyproline II helixtrans-58.5149.6-177.185.50000111.5K186 I187 R188S184-K186 PolarHBondContact O-N 3.42Å; S184-K186 VanDerWaalsContact O-N 3.13Å; S184-I187 PolarHBondContact O-N 3.24Å; S184-I187 VanDerWaalsContact O-N 3.14Å; S184-I187 WeakPolarHBondContact OG-CG1 3.3Å; S184-I187 PolarHBondContact OG-N 3.46Å; S184-R188 PolarHBondContact O-N 2.91Å
185P94.6Very high92.5Very high100 Ų10057.3 Ų57.365%0.64931%0.306SS*.Hα-helixtrans-55.7-32.5179.4-2735.3000113.5S189P185-S189 VanDerWaalsContact O-CB 3.25Å; P185-S189 WeakPolarHBondContact O-CB 3.04Å; P185-S189 PolarHBondContact O-N 2.93Å
186K94.1Very high92.4Very high128 Ų12862.7 Ų62.756%0.55733%0.327SS*.Hα-helixtrans-65-50.2176.4-68.2-163.4175.1-165.30111.9H124 S184 R188 S189 A190H124-K186 HydrophobicContact CB-CB 3.94Å; S184-K186 PolarHBondContact O-N 3.42Å; S184-K186 VanDerWaalsContact O-N 3.13Å; K186-R188 PolarHBondContact O-N 2.77Å; K186-S189 PolarHBondContact O-N 3.25Å; K186-A190 PolarHBondContact O-N 3.11Å
187I94.1Very high92.2Very high4 Ų461.7 Ų61.72%0.02132%0.323CS..Hα-helixtrans-57.7-48.3176.7-66.2168.8000110.5A121 H124 L125 L145 I147 A183 S184 S189 A190 L191A121-I187 HydrophobicContact CB-CB 4.18Å; A121-I187 HydrophobicContact CB-CG1 4.22Å; A121-I187 HydrophobicContact CB-CG2 3.76Å; H124-I187 HydrophobicContact CB-CG1 3.9Å; H124-I187 WeakPolarHBondContact O-CD1 3.26Å; H124-I187 WeakPolarHBondContact O-CG1 3.35Å; L125-I187 HydrophobicContact CD2-CD1 4.11Å; L125-I187 HydrophobicContact CD2-CG1 4.29Å; L145-I187 HydrophobicContact CD2-CG2 3.7Å; I147-I187 HydrophobicContact CD1-CD1 4.05Å; I147-I187 HydrophobicContact CD1-CG2 4.43Å; A183-I187 HydrophobicContact CB-CB 4.36Å; A183-I187 HydrophobicContact CB-CG2 4.04Å; S184-I187 PolarHBondContact O-N 3.24Å; S184-I187 VanDerWaalsContact O-N 3.14Å; S184-I187 WeakPolarHBondContact OG-CG1 3.3Å; S184-I187 PolarHBondContact OG-N 3.46Å; I187-S189 VanDerWaalsContact C-N 3.32Å; I187-S189 PolarHBondContact O-N 3.29Å; I187-A190 PolarHBondContact O-N 3.29Å; I187-L191 PolarHBondContact O-N 2.7Å
188R94.2Very high92.2Very high47 Ų4759 Ų5918%0.17731%0.31CS..Hα-helixtrans-66.7-33.7-179.3-62.7-173.2-64.7131.5-10.2112.4E144 L145 A183 S184 K186 K192E144-R188 VanDerWaalsContact CD-NH1 3.28Å; E144-R188 IonicContact OE1-NH1 3.76Å; E144-R188 PolarHBondContact OE1-NH1 2.76Å; E144-R188 WeakPolarHBondContact OE2-CD 3.07Å; E144-R188 IonicContact OE2-CZ 3.81Å; E144-R188 IonicContact OE2-NH1 3.44Å; E144-R188 PolarHBondContact OE2-NH1 3Å; L145-R188 HydrophobicContact CB-CG 4.45Å; A183-R188 HydrophobicContact CB-CG 3.88Å; A183-R188 WeakPolarHBondContact O-CD 3.22Å; A183-R188 PolarHBondContact O-NE 3.31Å; S184-R188 PolarHBondContact O-N 2.91Å; K186-R188 PolarHBondContact O-N 2.77Å; R188-K192 WeakPolarHBondContact O-CB 3.48Å; R188-K192 VanDerWaalsContact O-CG 3.26Å; R188-K192 WeakPolarHBondContact O-CG 3.12Å; R188-K192 PolarHBondContact O-N 3.43Å
189S93Very high92.1Very high77 Ų7760.2 Ų60.254%0.53832%0.318SS..Hα-helixtrans-69.1-37.6175-166.60000112.6P185 K186 I187 K192 K193P185-S189 VanDerWaalsContact O-CB 3.25Å; P185-S189 WeakPolarHBondContact O-CB 3.04Å; P185-S189 PolarHBondContact O-N 2.93Å; K186-S189 PolarHBondContact O-N 3.25Å; I187-S189 VanDerWaalsContact C-N 3.32Å; I187-S189 PolarHBondContact O-N 3.29Å; S189-K192 PolarHBondContact O-N 2.81Å; S189-K193 WeakPolarHBondContact O-CB 3.44Å; S189-K193 PolarHBondContact O-N 3.01Å
190A92Very high92.1Very high21 Ų2159.6 Ų59.617%0.17432%0.315CS..Hα-helixtrans-62.3-49.7175.800000111.1E120 A121 K186 I187 K192 K193 R194E120-A190 WeakPolarHBondContact O-CB 3.24Å; A121-A190 HydrophobicContact CB-CB 4.24Å; K186-A190 PolarHBondContact O-N 3.11Å; I187-A190 PolarHBondContact O-N 3.29Å; A190-K192 PolarHBondContact O-N 3.14Å; A190-K193 WeakPolarHBondContact O-CB 3.46Å; A190-K193 PolarHBondContact O-N 3.07Å; A190-K193 VanDerWaalsContact O-N 3.12Å; A190-R194 PolarHBondContact O-N 3.17Å; A190-R194 VanDerWaalsContact O-N 3.13Å
191L92.7Very high92.1Very high6 Ų658.4 Ų58.43%0.03131%0.305CS..Hα-helixtrans-60-44.1176.3-173.766000112.3W89 L117 L145 I187 K193 R194 L195W89-L191 HydrophobicContact CH2-CD1 4.18Å; W89-L191 HydrophobicContact CZ3-CD1 3.71Å; L117-L191 HydrophobicContact CD2-CD1 4.19Å; L145-L191 HydrophobicContact CB-CD2 4.07Å; L145-L191 HydrophobicContact CD2-CD2 4.43Å; I187-L191 PolarHBondContact O-N 2.7Å; L191-K193 VanDerWaalsContact C-N 3.29Å; L191-K193 PolarHBondContact O-N 3.32Å; L191-R194 PolarHBondContact O-N 3.21Å; L191-L195 HydrophobicContact CD1-CD1 4.33Å; L191-L195 HydrophobicContact CG-CD1 4.14Å; L191-L195 WeakPolarHBondContact O-CG 3.46Å; L191-L195 PolarHBondContact O-N 3.4Å; L191-L195 VanDerWaalsContact O-N 3.13Å
192K91.8Very high91.9Very high109 Ų10959 Ų5947%0.47431%0.307SS..Hα-helixtrans-64.9-29.5176.3-74.6178.2-177.1-172.50113.3E144 R188 S189 A190 Q196E144-K192 VanDerWaalsContact CD-NZ 3.3Å; E144-K192 IonicContact OE1-NZ 3.7Å; E144-K192 PolarHBondContact OE1-NZ 3.21Å; E144-K192 WeakPolarHBondContact OE2-CE 3.01Å; E144-K192 IonicContact OE2-NZ 2.7Å; E144-K192 PolarHBondContact OE2-NZ 2.9Å; R188-K192 WeakPolarHBondContact O-CB 3.48Å; R188-K192 VanDerWaalsContact O-CG 3.26Å; R188-K192 WeakPolarHBondContact O-CG 3.12Å; R188-K192 PolarHBondContact O-N 3.43Å; S189-K192 PolarHBondContact O-N 2.81Å; A190-K192 PolarHBondContact O-N 3.14Å; K192-Q196 PolarHBondContact O-N 2.97Å; K192-Q196 VanDerWaalsContact O-N 3.1Å
193K91.3Very high91.7Very high132 Ų13263.5 Ų63.557%0.57433%0.325SS*.Hα-helixtrans-68.6-45.1173.3-171.9-176.3176.4-172.50111.1S189 A190 L191 L195 Q196S189-K193 WeakPolarHBondContact O-CB 3.44Å; S189-K193 PolarHBondContact O-N 3.01Å; A190-K193 WeakPolarHBondContact O-CB 3.46Å; A190-K193 PolarHBondContact O-N 3.07Å; A190-K193 VanDerWaalsContact O-N 3.12Å; L191-K193 VanDerWaalsContact C-N 3.29Å; L191-K193 PolarHBondContact O-N 3.32Å; K193-L195 VanDerWaalsContact C-N 3.27Å; K193-L195 PolarHBondContact O-N 3.5Å; K193-Q196 VanDerWaalsContact O-CB 3.22Å; K193-Q196 WeakPolarHBondContact O-CB 3.21Å; K193-Q196 PolarHBondContact O-N 3.48Å; K193-Q196 VanDerWaalsContact O-N 3.17Å
194R91.4Very high91.5Very high61 Ų6165.6 Ų65.623%0.2334%0.342CS..Hα-helixtrans-61.7-35.5176.5178.460.2178.212812.8112.5E86 W89 E120 A190 L191E86-R194 IonicContact OE1-CZ 3.33Å; E86-R194 IonicContact OE1-NH1 3.57Å; E86-R194 PolarHBondContact OE1-NH1 3.32Å; E86-R194 IonicContact OE1-NH2 2.84Å; E86-R194 PolarHBondContact OE1-NH2 2.96Å; W89-R194 HydrophobicContact CD2-CG 3.83Å; W89-R194 HydrophobicContact CE3-CG 3.52Å; W89-R194 VanDerWaalsContact CG-NH2 3.3Å; W89-R194 HydrophobicContact CH2-CG 3.91Å; W89-R194 HydrophobicContact CZ2-CG 4.19Å; W89-R194 HydrophobicContact CZ3-CB 4.28Å; W89-R194 HydrophobicContact CZ3-CG 3.57Å; E120-R194 HydrophobicContact CG-CB 4.27Å; E120-R194 HydrophobicContact CG-CG 4.1Å; E120-R194 VanDerWaalsContact OE1-CD 3.29Å; E120-R194 WeakPolarHBondContact OE1-CD 3.47Å; E120-R194 IonicContact OE1-NE 3.97Å; A190-R194 PolarHBondContact O-N 3.17Å; A190-R194 VanDerWaalsContact O-N 3.13Å; L191-R194 PolarHBondContact O-N 3.21Å
195L91.9Very high91.4Very high17 Ų1764.8 Ų64.89%0.08933%0.334CS..THydrogen-bonded Turntrans-88.94178.3-64.3173.2000114.4W89 V92 L96 L191 K193 G197 Y198W89-L195 HydrophobicContact CE3-CD2 3.79Å; W89-L195 HydrophobicContact CE3-CG 4.33Å; W89-L195 HydrophobicContact CZ3-CD2 4.44Å; V92-L195 HydrophobicContact CG1-CD1 4.14Å; V92-L195 HydrophobicContact CG1-CD2 4.45Å; L96-L195 HydrophobicContact CD1-CD1 3.15Å; L191-L195 HydrophobicContact CD1-CD1 4.33Å; L191-L195 HydrophobicContact CG-CD1 4.14Å; L191-L195 WeakPolarHBondContact O-CG 3.46Å; L191-L195 PolarHBondContact O-N 3.4Å; L191-L195 VanDerWaalsContact O-N 3.13Å; K193-L195 VanDerWaalsContact C-N 3.27Å; K193-L195 PolarHBondContact O-N 3.5Å; L195-G197 PolarHBondContact O-N 3.1Å; L195-Y198 HydrophobicContact CD2-CD2 4.43Å; L195-Y198 HydrophobicContact CD2-CE2 4.37Å; L195-Y198 PolarHBondContact O-N 2.64Å
196Q90.4Very high91.3Very high144 Ų14462.1 Ų62.167%0.67331%0.314SS*.THydrogen-bonded Turntrans-64.3132.8-178.4-172.9173.4-11.800110.7K192 K193K192-Q196 PolarHBondContact O-N 2.97Å; K192-Q196 VanDerWaalsContact O-N 3.1Å; K193-Q196 VanDerWaalsContact O-CB 3.22Å; K193-Q196 WeakPolarHBondContact O-CB 3.21Å; K193-Q196 PolarHBondContact O-N 3.48Å; K193-Q196 VanDerWaalsContact O-N 3.17Å
197G87.2Confident91.3Very high38 Ų3856.2 Ų56.239%0.39229%0.289SS..THydrogen-bonded Turntrans93.1-3177.600000115.5L195 E200 K201L195-G197 PolarHBondContact O-N 3.1Å; G197-E200 CarbonylContact O-C 3.54Å; G197-E200 WeakPolarHBondContact O-CA 3.27Å; G197-E200 PolarHBondContact O-N 2.97Å; G197-K201 WeakPolarHBondContact O-CB 3.45Å; G197-K201 PolarHBondContact O-N 2.89Å
198Y90.3Very high91.4Very high17 Ų1760.5 Ų60.57%0.06731%0.305CS..THydrogen-bonded Turntrans-72.7138.9161.2-75.1-86.9000110E86 F90 Y93 L195 K201 I202E86-Y198 PolarHBondContact O-OH 3.27Å; E86-Y198 PolarHBondContact OE2-OH 2.87Å; F90-Y198 HydrophobicContact CB-CE1 3.88Å; F90-Y198 AromaticContact CD2-CD1 3.99Å; F90-Y198 HydrophobicContact CD2-CD1 3.99Å; F90-Y198 AromaticContact CD2-CE1 3.76Å; F90-Y198 HydrophobicContact CD2-CE1 3.76Å; F90-Y198 HydrophobicContact CG-CE1 4.18Å; F90-Y198 PolarHBondContact N-OH 2.98Å; Y93-Y198 HydrophobicContact CD1-CD1 4.26Å; Y93-Y198 HydrophobicContact CD1-CG 4.33Å; Y93-Y198 VanDerWaalsContact CD2-CB 3.43Å; Y93-Y198 HydrophobicContact CD2-CG 4.1Å; Y93-Y198 VanDerWaalsContact CE2-CB 3.48Å; Y93-Y198 HydrophobicContact CG-CD1 4.28Å; Y93-Y198 AromaticContact CG-CG 3.97Å; Y93-Y198 HydrophobicContact CG-CG 3.97Å; L195-Y198 HydrophobicContact CD2-CD2 4.43Å; L195-Y198 HydrophobicContact CD2-CE2 4.37Å; L195-Y198 PolarHBondContact O-N 2.64Å; Y198-K201 HydrophobicContact CD1-CB 4.32Å; Y198-K201 HydrophobicContact CD2-CB 4.49Å; Y198-K201 HydrophobicContact CD2-CD 4.07Å; Y198-K201 HydrophobicContact CE1-CB 4.47Å; Y198-K201 HydrophobicContact CE1-CD 4.49Å; Y198-K201 HydrophobicContact CE2-CD 3.63Å; Y198-K201 HydrophobicContact CG-CB 4.33Å; Y198-I202 HydrophobicContact CD1-CG1 3.97Å; Y198-I202 HydrophobicContact CE1-CG1 4.13Å
199P89.7Confident91.4Very high45 Ų4558.3 Ų58.329%0.29230%0.296SS..THydrogen-bonded Turncis-89.4-7.810.335.8-36.7000115.6L49 Y93 K201 I202L49-P199 HydrophobicContact CD2-CB 3.89Å; Y93-P199 HydrophobicContact CE1-CB 4.46Å; Y93-P199 WeakPolarHBondContact OH-CD 3.32Å; P199-K201 VanDerWaalsContact C-N 3.25Å; P199-K201 PolarHBondContact O-N 2.89Å; P199-I202 HydrophobicContact CB-CD1 4.18Å; P199-I202 WeakPolarHBondContact O-CB 3.49Å; P199-I202 WeakPolarHBondContact O-CD1 3.35Å; P199-I202 WeakPolarHBondContact O-CG1 3.49Å; P199-I202 PolarHBondContact O-N 2.96Å
200E90.8Very high91.5Very high133 Ų13356.3 Ų56.362%0.62128%0.278SS*.THydrogen-bonded Turntrans-59.4-34.5-177.2-6970.2-154.500113.1G197 I202 K203 A204G197-E200 CarbonylContact O-C 3.54Å; G197-E200 WeakPolarHBondContact O-CA 3.27Å; G197-E200 PolarHBondContact O-N 2.97Å; E200-I202 PolarHBondContact O-N 3.38Å; E200-I202 VanDerWaalsContact O-N 3.14Å; E200-K203 PolarHBondContact O-N 3.01Å; E200-A204 PolarHBondContact O-N 2.99Å
201K89.4Confident91.7Very high42 Ų4255.3 Ų55.318%0.18327%0.27CS..Hα-helixtrans-53.5-32.6178.1-161.2-172.5-171.2-161.10112.9E86 G197 Y198 P199 K203 A204 N205E86-K201 IonicContact OE1-NZ 3.51Å; E86-K201 PolarHBondContact OE1-NZ 3.46Å; E86-K201 WeakPolarHBondContact OE2-CE 3.3Å; E86-K201 IonicContact OE2-NZ 3.71Å; E86-K201 PolarHBondContact OE2-NZ 3.41Å; G197-K201 WeakPolarHBondContact O-CB 3.45Å; G197-K201 PolarHBondContact O-N 2.89Å; Y198-K201 HydrophobicContact CD1-CB 4.32Å; Y198-K201 HydrophobicContact CD2-CB 4.49Å; Y198-K201 HydrophobicContact CD2-CD 4.07Å; Y198-K201 HydrophobicContact CE1-CB 4.47Å; Y198-K201 HydrophobicContact CE1-CD 4.49Å; Y198-K201 HydrophobicContact CE2-CD 3.63Å; Y198-K201 HydrophobicContact CG-CB 4.33Å; P199-K201 VanDerWaalsContact C-N 3.25Å; P199-K201 PolarHBondContact O-N 2.89Å; K201-K203 PolarHBondContact O-N 3.02Å; K201-A204 PolarHBondContact O-N 3.36Å; K201-A204 VanDerWaalsContact O-N 3.08Å; K201-N205 WeakPolarHBondContact O-CB 3.49Å; K201-N205 PolarHBondContact O-N 3.35Å
202I89.2Confident91.7Very high12 Ų1257 Ų576%0.06228%0.277CS..Hα-helixtrans-52.6-44174.7-62.5168.2000110.6L49 Y53 F90 Y198 P199 E200L49-I202 HydrophobicContact CD2-CD1 4.26Å; Y53-I202 HydrophobicContact CD2-CB 4.48Å; Y53-I202 HydrophobicContact CD2-CG1 4.25Å; Y53-I202 HydrophobicContact CD2-CG2 3.61Å; Y53-I202 HydrophobicContact CE2-CG1 4.28Å; Y53-I202 HydrophobicContact CE2-CG2 4.1Å; F90-I202 HydrophobicContact CD2-CD1 4.11Å; F90-I202 HydrophobicContact CD2-CG1 4.29Å; F90-I202 HydrophobicContact CE2-CD1 3.47Å; F90-I202 VanDerWaalsContact CE2-CD1 3.47Å; F90-I202 HydrophobicContact CE2-CG1 4.12Å; F90-I202 HydrophobicContact CZ-CD1 3.85Å; Y198-I202 HydrophobicContact CD1-CG1 3.97Å; Y198-I202 HydrophobicContact CE1-CG1 4.13Å; P199-I202 HydrophobicContact CB-CD1 4.18Å; P199-I202 WeakPolarHBondContact O-CB 3.49Å; P199-I202 WeakPolarHBondContact O-CD1 3.35Å; P199-I202 WeakPolarHBondContact O-CG1 3.49Å; P199-I202 PolarHBondContact O-N 2.96Å; E200-I202 PolarHBondContact O-N 3.38Å; E200-I202 VanDerWaalsContact O-N 3.14Å
203K89.8Confident91.8Very high147 Ų14751.8 Ų51.864%0.63926%0.255SS*.Hα-helixtrans-79.4-30.8179.9-63.5-179.5178.9178.70112.7E200 K201 N205 L206E200-K203 PolarHBondContact O-N 3.01Å; K201-K203 PolarHBondContact O-N 3.02Å; K203-N205 VanDerWaalsContact C-N 3.3Å; K203-L206 PolarHBondContact O-N 3.45Å
204A90.3Very high92Very high50 Ų5045.5 Ų45.541%0.41323%0.227SC..Hα-helixtrans-70.3-28.2176.500000112.6E200 K201 L206 R266E200-A204 PolarHBondContact O-N 2.99Å; K201-A204 PolarHBondContact O-N 3.36Å; K201-A204 VanDerWaalsContact O-N 3.08Å; A204-L206 VanDerWaalsContact C-N 3.28Å; A204-R266 VanDerWaalsContact O-CZ 3.28Å; A204-R266 PolarHBondContact O-NE 3.36Å; A204-R266 PolarHBondContact O-NH2 3.49Å
205N90.9Very high92Very high31 Ų3142.6 Ų42.617%0.16622%0.216CC..THydrogen-bonded Turntrans-80.3-3.9174.5-72.30.1000113.4E86 K201 K203 T265 R266E86-N205 PolarHBondContact OE2-ND2 3.16Å; K201-N205 WeakPolarHBondContact O-CB 3.49Å; K201-N205 PolarHBondContact O-N 3.35Å; K203-N205 VanDerWaalsContact C-N 3.3Å; N205-T265 CarbonylContact O-C 3.59Å; N205-T265 WeakPolarHBondContact O-CA 3.26Å; N205-R266 PolarHBondContact O-N 2.88Å
206L93.1Very high92Very high44 Ų4442 Ų4223%0.2321%0.214CC..EExtended strand (participates in β ladder)trans-82.5148.2167.9-60.5176.7000110.1I54 K203 A204 T263 F264I54-L206 HydrophobicContact CD1-CD2 4.29Å; K203-L206 PolarHBondContact O-N 3.45Å; A204-L206 VanDerWaalsContact C-N 3.28Å; L206-T263 HydrophobicContact CB-CG2 4.04Å; L206-T263 HydrophobicContact CD1-CG2 4.11Å; L206-T263 HydrophobicContact CD2-CG2 4.19Å; L206-T263 HydrophobicContact CG-CG2 4.33Å; L206-F264 CarbonylContact C-O 3.37Å; L206-F264 VanDerWaalsContact CA-O 3.27Å; L206-F264 WeakPolarHBondContact CA-O 3.34Å
207H94.4Very high92.2Very high3 Ų335.1 Ų35.11%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-135.5132.1174.7177.291000109.2F264 R266 Y269 D408 D410 W412H207-F264 PolarHBondContact N-O 3.42Å; H207-F264 PolarHBondContact O-N 3.02Å; H207-R266 HydrophobicContact CB-CG 4.33Å; H207-Y269 AromaticContact CD2-CD1 3.71Å; H207-Y269 AromaticContact CD2-CD2 3.44Å; H207-Y269 VanDerWaalsContact CD2-CD2 3.44Å; H207-Y269 WeakPolarHBondContact CD2-CD2 3.41Å; H207-Y269 AromaticContact CD2-CE1 3.8Å; H207-Y269 AromaticContact CD2-CE2 3.6Å; H207-Y269 AromaticContact CD2-CG 3.47Å; H207-Y269 VanDerWaalsContact CD2-CG 3.47Å; H207-Y269 AromaticContact CD2-CZ 3.73Å; H207-Y269 AromaticContact CE1-CE1 3.86Å; H207-Y269 AromaticContact CE1-CZ 3.94Å; H207-Y269 AromaticContact NE2-CD1 3.9Å; H207-Y269 AromaticContact NE2-CD2 3.8Å; H207-Y269 AromaticContact NE2-CE1 3.47Å; H207-Y269 WeakPolarHBondContact NE2-CE1 3.27Å; H207-Y269 AromaticContact NE2-CE2 3.42Å; H207-Y269 WeakPolarHBondContact NE2-CE2 3.33Å; H207-Y269 AromaticContact NE2-CG 4Å; H207-Y269 AromaticContact NE2-CZ 3.19Å; H207-D408 PolarHBondContact CE1-O 3.18Å; H207-D408 VanDerWaalsContact CE1-O 3.22Å; H207-D410 IonicContact CE1-OD1 2.86Å; H207-D410 PolarHBondContact CE1-OD1 2.83Å; H207-D410 IonicContact NE2-OD1 3.72Å; H207-W412 AromaticContact ND1-NE1 3.59Å
208R95.4Very high92.4Very high95 Ų9533.6 Ų33.636%0.35817%0.166SC..EExtended strand (participates in β ladder)trans-110.5119.1178.5-66.5163.1-66.7163.65.7110.8V262 T263 E407 D408R208-V262 WeakPolarHBondContact CA-O 3.48Å; R208-T263 HydrophobicContact CG-CG2 4.1Å; R208-E407 WeakPolarHBondContact O-CA 3.5Å; R208-D408 VanDerWaalsContact CB-OD2 3.31Å; R208-D408 WeakPolarHBondContact CB-OD2 3.38Å; R208-D408 IonicContact CZ-OD1 3.8Å; R208-D408 IonicContact CZ-OD2 3.4Å; R208-D408 PolarHBondContact N-OD2 3.27Å; R208-D408 IonicContact NE-OD1 2.92Å; R208-D408 IonicContact NE-OD2 3.15Å; R208-D408 PolarHBondContact NE-OD2 3.14Å; R208-D408 IonicContact NH2-OD1 2.62Å; R208-D408 PolarHBondContact NH2-OD1 2.88Å; R208-D408 IonicContact NH2-OD2 2.82Å; R208-D408 PolarHBondContact NH2-OD2 3.47Å; R208-D408 PolarHBondContact O-N 2.91Å
209A95.3Very high92.5Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-116.1158.9172.100000110.1S261 V262 F264 Y269 L300A209-S261 WeakPolarHBondContact O-CA 3.15Å; A209-V262 PolarHBondContact N-O 2.95Å; A209-V262 PolarHBondContact O-N 3.42Å; A209-F264 HydrophobicContact CB-CE2 4.34Å; A209-Y269 HydrophobicContact CB-CD2 4.31Å; A209-Y269 HydrophobicContact CB-CE2 3.7Å; A209-L300 HydrophobicContact CB-CD1 3.96Å
210H95.4Very high92.6Very high35 Ų3531.1 Ų31.116%0.16215%0.152CC..EExtended strand (participates in β ladder)trans-87.4129.7168.1-62.8175.4000108.5L259 A260 A297 P405 E407H210-L259 HydrophobicContact CB-CD1 3.96Å; H210-L259 HydrophobicContact CB-CG 4.3Å; H210-A260 WeakPolarHBondContact CA-O 3.32Å; H210-A297 HydrophobicContact CB-CB 4.36Å; H210-A297 VanDerWaalsContact O-CA 3.23Å; H210-A297 WeakPolarHBondContact O-CA 3.31Å; H210-A297 WeakPolarHBondContact O-CB 3.39Å; H210-P405 PolarHBondContact CE1-O 3.03Å; H210-P405 PolarHBondContact NE2-O 2.94Å; H210-E407 HydrophobicContact CB-CG 4.33Å; H210-E407 WeakPolarHBondContact CB-OE1 3.43Å; H210-E407 IonicContact CG-OE1 2.7Å; H210-E407 PolarHBondContact N-OE1 3.48Å
211C95.1Very high92.7Very high0 Ų025.7 Ų25.70%013%0.127CC..EExtended strand (participates in β ladder)trans-125.9135.3179-58.80000109.1I213 A260 V262C211-I213 HydrophobicContact CB-CG2 3.75Å; C211-I213 PolarHBondContact O-N 3.04Å; C211-A260 PolarHBondContact N-O 2.88Å; C211-A260 PolarHBondContact O-N 3.15Å; C211-V262 HydrophobicContact CB-CG2 3.98Å
212F93.4Very high92.7Very high42 Ų4227.1 Ų27.118%0.18415%0.147CC..EExtended strand (participates in β ladder)trans-89.887.7176.3-157.6-111.1000109.6R257 L259 A297 H298 G301F212-R257 HydrophobicContact CD1-CB 3.68Å; F212-R257 HydrophobicContact CD1-CG 4.2Å; F212-R257 HydrophobicContact CE1-CB 3.39Å; F212-R257 HydrophobicContact CE1-CG 4.28Å; F212-R257 HydrophobicContact CG-CB 4.47Å; F212-R257 HydrophobicContact CZ-CB 3.98Å; F212-L259 HydrophobicContact CD2-CB 4.03Å; F212-L259 HydrophobicContact CD2-CD1 4.13Å; F212-L259 HydrophobicContact CE2-CB 4.41Å; F212-A297 PolarHBondContact N-O 3.39Å; F212-H298 AromaticContact CD1-CE1 3.44Å; F212-H298 VanDerWaalsContact CD1-CE1 3.44Å; F212-H298 WeakPolarHBondContact CD1-CE1 3.33Å; F212-H298 AromaticContact CD1-ND1 3.56Å; F212-H298 AromaticContact CE1-CE1 3.78Å; F212-H298 AromaticContact CG-CE1 3.82Å; F212-G301 WeakPolarHBondContact O-CA 3.15Å
213I94.3Very high92.6Very high0 Ų028.8 Ų28.80%015%0.154CC..EExtended strand (participates in β ladder)trans-116.6150.4-16654.5171.6000112.3C211 V217 A218 L221 R257 V258 A260 V262 L304C211-I213 HydrophobicContact CB-CG2 3.75Å; C211-I213 PolarHBondContact O-N 3.04Å; I213-V217 HydrophobicContact CB-CB 4.36Å; I213-V217 HydrophobicContact CB-CG1 4.49Å; I213-V217 HydrophobicContact CD1-CB 4.25Å; I213-V217 HydrophobicContact CD1-CG1 4.03Å; I213-A218 HydrophobicContact CD1-CB 3.92Å; I213-A218 HydrophobicContact CG1-CB 4.3Å; I213-L221 HydrophobicContact CD1-CD1 4.22Å; I213-R257 CarbonylContact O-C 3.53Å; I213-R257 VanDerWaalsContact O-CA 3.32Å; I213-R257 WeakPolarHBondContact O-CA 3.39Å; I213-V258 PolarHBondContact N-O 3.45Å; I213-V258 PolarHBondContact O-N 3.31Å; I213-A260 HydrophobicContact CD1-CB 3.97Å; I213-A260 HydrophobicContact CG1-CB 4.09Å; I213-V262 HydrophobicContact CD1-CG2 4Å; I213-L304 HydrophobicContact CG2-CD2 4.26Å
214P93.8Very high92.6Very high0 Ų022.3 Ų22.30%013%0.126CC..EExtended strand (participates in β ladder)trans-54.4140.2171.2-26.836.8000112G216 V217 A218 F252 R257 F285 A305P214-G216 PolarHBondContact O-N 2.97Å; P214-G216 VanDerWaalsContact O-N 3.08Å; P214-V217 HydrophobicContact CB-CG2 4.3Å; P214-V217 HydrophobicContact CG-CG2 4.46Å; P214-V217 WeakPolarHBondContact O-CA 2.95Å; P214-V217 WeakPolarHBondContact O-CB 3.47Å; P214-V217 PolarHBondContact O-N 3.49Å; P214-A218 PolarHBondContact O-N 2.82Å; P214-A218 VanDerWaalsContact O-N 3.15Å; P214-F252 HydrophobicContact CB-CB 3.95Å; P214-F252 HydrophobicContact CG-CB 3.99Å; P214-R257 HydrophobicContact CG-CG 4.33Å; P214-F285 HydrophobicContact CG-CE1 4.44Å; P214-F285 HydrophobicContact CG-CZ 3.84Å; P214-A305 HydrophobicContact CG-CB 4.11Å
215A92Very high92.7Very high0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-59.9-24.4-176.600000113.9A218 S219 T256 V258 L394 F397A215-A218 PolarHBondContact O-N 3.13Å; A215-S219 WeakPolarHBondContact O-CB 3.31Å; A215-S219 PolarHBondContact O-N 3.35Å; A215-T256 WeakPolarHBondContact CB-O 3.38Å; A215-T256 PolarHBondContact N-O 2.88Å; A215-T256 PolarHBondContact N-OG1 3.13Å; A215-V258 HydrophobicContact CB-CG2 4.34Å; A215-L394 HydrophobicContact CB-CD2 3.34Å; A215-F397 HydrophobicContact CB-CD2 4.12Å; A215-F397 HydrophobicContact CB-CE2 4.47Å
216G92.1Very high92.7Very high3 Ų323.3 Ų23.33%0.03113%0.128CC..Hα-helixtrans-59.7-48.1168.800000112.4P214 A218 S219 V220P214-G216 PolarHBondContact O-N 2.97Å; P214-G216 VanDerWaalsContact O-N 3.08Å; G216-A218 PolarHBondContact O-N 3.03Å; G216-S219 PolarHBondContact O-N 3.47Å; G216-V220 WeakPolarHBondContact O-CG2 3.1Å; G216-V220 PolarHBondContact O-N 3.35Å
217V94Very high92.7Very high0 Ų021.4 Ų21.40%012%0.118CC..Hα-helixtrans-63.4-42.8176.7-175.80000110.5I213 P214 S219 V220 L221 F252 F308I213-V217 HydrophobicContact CB-CB 4.36Å; I213-V217 HydrophobicContact CB-CG1 4.49Å; I213-V217 HydrophobicContact CD1-CB 4.25Å; I213-V217 HydrophobicContact CD1-CG1 4.03Å; P214-V217 HydrophobicContact CB-CG2 4.3Å; P214-V217 HydrophobicContact CG-CG2 4.46Å; P214-V217 WeakPolarHBondContact O-CA 2.95Å; P214-V217 WeakPolarHBondContact O-CB 3.47Å; P214-V217 PolarHBondContact O-N 3.49Å; V217-S219 VanDerWaalsContact C-N 3.35Å; V217-S219 PolarHBondContact O-N 3.32Å; V217-V220 PolarHBondContact O-N 3.25Å; V217-L221 HydrophobicContact CG1-CD1 3.79Å; V217-L221 HydrophobicContact CG1-CG 4.28Å; V217-L221 WeakPolarHBondContact O-CB 3.27Å; V217-L221 WeakPolarHBondContact O-CG 3.15Å; V217-L221 PolarHBondContact O-N 2.96Å; V217-F252 HydrophobicContact CB-CE1 4.47Å; V217-F252 HydrophobicContact CG2-CB 4.38Å; V217-F252 HydrophobicContact CG2-CD1 3.42Å; V217-F252 VanDerWaalsContact CG2-CD1 3.42Å; V217-F252 HydrophobicContact CG2-CD2 4.39Å; V217-F252 HydrophobicContact CG2-CE1 3.62Å; V217-F252 HydrophobicContact CG2-CG 3.82Å; V217-F252 HydrophobicContact CG2-CZ 4.2Å; V217-F308 HydrophobicContact CG1-CD1 4.37Å; V217-F308 HydrophobicContact CG1-CD2 3.44Å; V217-F308 VanDerWaalsContact CG1-CD2 3.44Å; V217-F308 HydrophobicContact CG1-CE1 4.42Å; V217-F308 HydrophobicContact CG1-CE2 3.49Å; V217-F308 VanDerWaalsContact CG1-CE2 3.49Å; V217-F308 HydrophobicContact CG1-CG 3.93Å; V217-F308 HydrophobicContact CG1-CZ 4.02Å; V217-F308 HydrophobicContact CG2-CB 4.04Å; V217-F308 HydrophobicContact CG2-CD2 4.25Å; V217-F308 HydrophobicContact CG2-CG 4.04Å
218A92.6Very high92.8Very high7 Ų721.3 Ų21.36%0.05812%0.117CC..Hα-helixtrans-60.8-41.2176.400000112.5I213 P214 A215 G216 A222 V258 A260 F397I213-A218 HydrophobicContact CD1-CB 3.92Å; I213-A218 HydrophobicContact CG1-CB 4.3Å; P214-A218 PolarHBondContact O-N 2.82Å; P214-A218 VanDerWaalsContact O-N 3.15Å; A215-A218 PolarHBondContact O-N 3.13Å; G216-A218 PolarHBondContact O-N 3.03Å; A218-A222 VanDerWaalsContact O-CB 3.28Å; A218-A222 WeakPolarHBondContact O-CB 3.5Å; A218-A222 PolarHBondContact O-N 3.46Å; A218-V258 HydrophobicContact CB-CG2 4.14Å; A218-A260 HydrophobicContact CB-CB 4.44Å; A218-F397 HydrophobicContact CB-CD1 3.91Å; A218-F397 HydrophobicContact CB-CE1 3.72Å; A218-F397 HydrophobicContact CB-CZ 4.26Å
219S91.6Very high92.8Very high9 Ų916.9 Ų16.96%0.06310%0.101CC..Hα-helixtrans-66.2-37.5176-174.90000113.2A215 G216 V217 Q223A215-S219 WeakPolarHBondContact O-CB 3.31Å; A215-S219 PolarHBondContact O-N 3.35Å; G216-S219 PolarHBondContact O-N 3.47Å; V217-S219 VanDerWaalsContact C-N 3.35Å; V217-S219 PolarHBondContact O-N 3.32Å; S219-Q223 PolarHBondContact O-NE2 2.87Å; S219-Q223 VanDerWaalsContact O-NE2 3.11Å
220V92.5Very high92.8Very high0 Ų018.8 Ų18.80%011%0.113CC..Hα-helixtrans-68.5-51.5176.2169.70000110.4G216 V217 A222 Q223 R224 L227 F308 I383 L386 L387G216-V220 WeakPolarHBondContact O-CG2 3.1Å; G216-V220 PolarHBondContact O-N 3.35Å; V217-V220 PolarHBondContact O-N 3.25Å; V220-A222 VanDerWaalsContact C-N 3.3Å; V220-A222 PolarHBondContact O-N 3.33Å; V220-Q223 PolarHBondContact O-N 2.84Å; V220-R224 PolarHBondContact O-N 3.35Å; V220-L227 HydrophobicContact CG1-CD1 3.79Å; V220-F308 HydrophobicContact CG1-CE1 4.03Å; V220-I383 HydrophobicContact CG1-CG1 4.18Å; V220-I383 HydrophobicContact CG1-CG2 4.47Å; V220-I383 HydrophobicContact CG2-CG2 4.24Å; V220-L386 HydrophobicContact CG1-CD1 4.18Å; V220-L386 HydrophobicContact CG2-CB 4.28Å; V220-L387 HydrophobicContact CG2-CD2 3.8Å; V220-L387 HydrophobicContact CG2-CG 3.9Å
221L92.8Very high92.8Very high19 Ų1917.1 Ų17.110%0.09911%0.106CC..Hα-helixtrans-64.4-31.5-179.4-71.5173.3000113.3I213 V217 Q223 R224 P225 V228 V262 L304 F308I213-L221 HydrophobicContact CD1-CD1 4.22Å; V217-L221 HydrophobicContact CG1-CD1 3.79Å; V217-L221 HydrophobicContact CG1-CG 4.28Å; V217-L221 WeakPolarHBondContact O-CB 3.27Å; V217-L221 WeakPolarHBondContact O-CG 3.15Å; V217-L221 PolarHBondContact O-N 2.96Å; L221-Q223 PolarHBondContact O-N 3.33Å; L221-R224 CarbonylContact O-C 3.58Å; L221-P225 WeakPolarHBondContact O-CA 3.47Å; L221-V228 HydrophobicContact CD2-CB 3.85Å; L221-V228 HydrophobicContact CD2-CG2 4.43Å; L221-V262 HydrophobicContact CD1-CG1 3.98Å; L221-V262 HydrophobicContact CD1-CG2 4Å; L221-L304 HydrophobicContact CD1-CD2 4.16Å; L221-F308 HydrophobicContact CD1-CE2 4.26Å; L221-F308 HydrophobicContact CD1-CZ 4.4Å; L221-F308 HydrophobicContact CD2-CE2 4.29Å; L221-F308 HydrophobicContact CD2-CZ 3.79Å; L221-F308 HydrophobicContact CG-CE2 4.36Å; L221-F308 HydrophobicContact CG-CZ 4Å
222A88.9Confident92.9Very high73 Ų7317.1 Ų17.160%0.60311%0.106SC*.Hα-helixtrans-63.5-25.9172.700000113.2A218 V220A218-A222 VanDerWaalsContact O-CB 3.28Å; A218-A222 WeakPolarHBondContact O-CB 3.5Å; A218-A222 PolarHBondContact O-N 3.46Å; V220-A222 VanDerWaalsContact C-N 3.3Å; V220-A222 PolarHBondContact O-N 3.33Å
223Q88.1Confident92.9Very high47 Ų4716.4 Ų16.422%0.2211%0.106CC..Hα-helixtrans-98-37.1178-65.5176.772.100112.6S219 V220 L221 R360S219-Q223 PolarHBondContact O-NE2 2.87Å; S219-Q223 VanDerWaalsContact O-NE2 3.11Å; V220-Q223 PolarHBondContact O-N 2.84Å; L221-Q223 PolarHBondContact O-N 3.33Å; Q223-R360 VanDerWaalsContact O-CZ 3.29Å; Q223-R360 PolarHBondContact O-NH1 3.12Å; Q223-R360 PolarHBondContact O-NH2 3.45Å
224R89.4Confident92.9Very high10 Ų1017.1 Ų17.14%0.03811%0.112CC..  trans-136.680.9-175.6-70.9-54.1-53.1-116.721109.7V220 L221 D226 L227 I364 Q368 E382 L386V220-R224 PolarHBondContact O-N 3.35Å; L221-R224 CarbonylContact O-C 3.58Å; R224-D226 IonicContact CZ-OD1 3.48Å; R224-D226 IonicContact CZ-OD2 3.59Å; R224-D226 IonicContact NE-OD1 2.64Å; R224-D226 PolarHBondContact NE-OD1 2.8Å; R224-D226 IonicContact NE-OD2 3.89Å; R224-D226 IonicContact NH2-OD1 2.63Å; R224-D226 PolarHBondContact NH2-OD1 2.92Å; R224-D226 VanDerWaalsContact NH2-OD1 3.15Å; R224-D226 IonicContact NH2-OD2 3.49Å; R224-D226 PolarHBondContact NH2-OD2 3.25Å; R224-D226 PolarHBondContact O-N 3.41Å; R224-L227 HydrophobicContact CB-CB 4.44Å; R224-L227 HydrophobicContact CB-CD1 3.45Å; R224-L227 VanDerWaalsContact CB-CD1 3.45Å; R224-L227 HydrophobicContact CB-CG 3.8Å; R224-L227 HydrophobicContact CG-CD1 3.94Å; R224-L227 PolarHBondContact O-N 2.95Å; R224-I364 VanDerWaalsContact NH1-CG2 3.3Å; R224-Q368 VanDerWaalsContact NH2-CD 3.25Å; R224-E382 IonicContact CZ-OE1 3.15Å; R224-E382 IonicContact NE-OE1 3.25Å; R224-E382 IonicContact NH1-OE1 2.89Å; R224-E382 PolarHBondContact NH1-OE1 3.26Å; R224-E382 IonicContact NH1-OE2 2.96Å; R224-L386 HydrophobicContact CB-CD1 4.15Å; R224-L386 HydrophobicContact CG-CD1 3.57Å
225P91.6Very high92.9Very high63 Ų6317.2 Ų17.241%0.40911%0.112SC..G310 helixtrans-66.3-23.6-179.227.5-35.2000112.5L221 L227 V228L221-P225 WeakPolarHBondContact O-CA 3.47Å; P225-L227 VanDerWaalsContact C-N 3.28Å; P225-L227 PolarHBondContact O-N 3.31Å; P225-V228 WeakPolarHBondContact O-CB 3.28Å; P225-V228 WeakPolarHBondContact O-CG1 3.35Å; P225-V228 PolarHBondContact O-N 3.34Å
226D91.2Very high93Very high40 Ų4021.3 Ų21.321%0.21413%0.128CC..G310 helixtrans-67.9-22.9178.260.7-66.7000113.9R224 V228 A229 P230R224-D226 IonicContact CZ-OD1 3.48Å; R224-D226 IonicContact CZ-OD2 3.59Å; R224-D226 IonicContact NE-OD1 2.64Å; R224-D226 PolarHBondContact NE-OD1 2.8Å; R224-D226 IonicContact NE-OD2 3.89Å; R224-D226 IonicContact NH2-OD1 2.63Å; R224-D226 PolarHBondContact NH2-OD1 2.92Å; R224-D226 VanDerWaalsContact NH2-OD1 3.15Å; R224-D226 IonicContact NH2-OD2 3.49Å; R224-D226 PolarHBondContact NH2-OD2 3.25Å; R224-D226 PolarHBondContact O-N 3.41Å; D226-V228 PolarHBondContact O-N 2.7Å; D226-V228 VanDerWaalsContact O-N 3.08Å; D226-A229 PolarHBondContact O-N 2.7Å; D226-A229 VanDerWaalsContact O-N 3.09Å; D226-P230 WeakPolarHBondContact O-CD 3.42Å
227L93.8Very high92.9Very high4 Ų427.5 Ų27.52%0.02116%0.16CC..G310 helixtrans-66.5-7.3173.5-67.3172.7000113.1V220 R224 P225 A229 P230 A231 F308 A379 I383 L386V220-L227 HydrophobicContact CG1-CD1 3.79Å; R224-L227 HydrophobicContact CB-CB 4.44Å; R224-L227 HydrophobicContact CB-CD1 3.45Å; R224-L227 VanDerWaalsContact CB-CD1 3.45Å; R224-L227 HydrophobicContact CB-CG 3.8Å; R224-L227 HydrophobicContact CG-CD1 3.94Å; R224-L227 PolarHBondContact O-N 2.95Å; P225-L227 VanDerWaalsContact C-N 3.28Å; P225-L227 PolarHBondContact O-N 3.31Å; L227-A229 PolarHBondContact O-N 3.41Å; L227-P230 HydrophobicContact CD2-CG 4.28Å; L227-P230 WeakPolarHBondContact O-CD 3.49Å; L227-P230 WeakPolarHBondContact O-CG 3.34Å; L227-A231 WeakPolarHBondContact O-CB 3.45Å; L227-A231 PolarHBondContact O-N 3.3Å; L227-F308 HydrophobicContact CB-CE1 4.48Å; L227-F308 HydrophobicContact CB-CZ 4.47Å; L227-A379 HydrophobicContact CD2-CB 4.18Å; L227-I383 HydrophobicContact CD1-CG1 3.84Å; L227-L386 HydrophobicContact CD1-CD1 3.8Å
228V96Very high92.8Very high0 Ų030.4 Ų30.40%017%0.171CC..Hα-helixtrans-60.5-35.1168.278.80000111.8I54 L221 P225 D226 A231 V232 V262 F264 L268 L304I54-V228 HydrophobicContact CD1-CG1 4.21Å; I54-V228 HydrophobicContact CG2-CG1 3.92Å; L221-V228 HydrophobicContact CD2-CB 3.85Å; L221-V228 HydrophobicContact CD2-CG2 4.43Å; P225-V228 WeakPolarHBondContact O-CB 3.28Å; P225-V228 WeakPolarHBondContact O-CG1 3.35Å; P225-V228 PolarHBondContact O-N 3.34Å; D226-V228 PolarHBondContact O-N 2.7Å; D226-V228 VanDerWaalsContact O-N 3.08Å; V228-A231 PolarHBondContact O-N 2.92Å; V228-V232 HydrophobicContact CG2-CG2 4.34Å; V228-V232 WeakPolarHBondContact O-CB 3.5Å; V228-V232 VanDerWaalsContact O-CG2 3.32Å; V228-V232 WeakPolarHBondContact O-CG2 3.45Å; V228-V232 PolarHBondContact O-N 2.89Å; V228-V262 HydrophobicContact CG2-CG1 3.88Å; V228-F264 HydrophobicContact CG2-CD1 3.48Å; V228-F264 VanDerWaalsContact CG2-CD1 3.48Å; V228-F264 HydrophobicContact CG2-CE1 3.39Å; V228-F264 HydrophobicContact CG2-CG 4.43Å; V228-F264 HydrophobicContact CG2-CZ 4.29Å; V228-L268 HydrophobicContact CG1-CD1 4.22Å; V228-L304 HydrophobicContact CG2-CD1 4.08Å; V228-L304 HydrophobicContact CG2-CD2 4.46Å
229A95.3Very high92.7Very high2 Ų233.4 Ų33.42%0.01719%0.186CC..Hα-helixtrans-67.7-55-175.700000113.1I54 W55 D226 L227 A231 V232 S233 L268I54-A229 HydrophobicContact CG2-CB 4.06Å; W55-A229 WeakPolarHBondContact O-CB 3.41Å; D226-A229 PolarHBondContact O-N 2.7Å; D226-A229 VanDerWaalsContact O-N 3.09Å; L227-A229 PolarHBondContact O-N 3.41Å; A229-A231 PolarHBondContact O-N 3.17Å; A229-V232 PolarHBondContact O-N 3.1Å; A229-S233 WeakPolarHBondContact O-CB 3.23Å; A229-S233 PolarHBondContact O-N 3.3Å; A229-S233 PolarHBondContact O-OG 3.13Å; A229-L268 HydrophobicContact CB-CD1 3.62Å; A229-L268 HydrophobicContact CB-CD2 4.07Å
230P94.4Very high92.4Very high40 Ų4037.7 Ų37.726%0.2621%0.214SC..Hα-helixtrans-62.7-28.4175.225.6-35.4000112.7D226 L227 A234 L311 A379D226-P230 WeakPolarHBondContact O-CD 3.42Å; L227-P230 HydrophobicContact CD2-CG 4.28Å; L227-P230 WeakPolarHBondContact O-CD 3.49Å; L227-P230 WeakPolarHBondContact O-CG 3.34Å; P230-A234 WeakPolarHBondContact O-CB 3.46Å; P230-A234 PolarHBondContact O-N 2.93Å; P230-L311 HydrophobicContact CB-CD1 4.09Å; P230-L311 HydrophobicContact CB-CD2 4.45Å; P230-L311 HydrophobicContact CG-CD1 4.37Å; P230-A379 HydrophobicContact CB-CB 3.86Å; P230-A379 HydrophobicContact CG-CB 3.81Å
231A95.9Very high92.1Very high0 Ų042.2 Ų42.20%024%0.241CC..Hα-helixtrans-70.5-45.2176.800000111.8L227 V228 A229 A234 F235 L304 G307 F308 L311L227-A231 WeakPolarHBondContact O-CB 3.45Å; L227-A231 PolarHBondContact O-N 3.3Å; V228-A231 PolarHBondContact O-N 2.92Å; A229-A231 PolarHBondContact O-N 3.17Å; A231-A234 PolarHBondContact O-N 3.4Å; A231-F235 PolarHBondContact O-N 3.47Å; A231-L304 HydrophobicContact CB-CD1 4.14Å; A231-G307 WeakPolarHBondContact O-CA 3.45Å; A231-F308 HydrophobicContact CB-CD1 4.35Å; A231-F308 HydrophobicContact CB-CD2 3.46Å; A231-F308 VanDerWaalsContact CB-CD2 3.46Å; A231-F308 HydrophobicContact CB-CE1 4.27Å; A231-F308 HydrophobicContact CB-CE2 3.36Å; A231-F308 HydrophobicContact CB-CG 3.97Å; A231-F308 HydrophobicContact CB-CZ 3.79Å; A231-L311 HydrophobicContact CB-CD1 4.03Å
232V96.4Very high91.9Very high0 Ų041.7 Ų41.70%024%0.239CC..Hα-helixtrans-62.2-44.8172.9168.40000110.5V228 A229 A234 F235 Y236 F264 L268 Q271 L272 L304V228-V232 HydrophobicContact CG2-CG2 4.34Å; V228-V232 WeakPolarHBondContact O-CB 3.5Å; V228-V232 VanDerWaalsContact O-CG2 3.32Å; V228-V232 WeakPolarHBondContact O-CG2 3.45Å; V228-V232 PolarHBondContact O-N 2.89Å; A229-V232 PolarHBondContact O-N 3.1Å; V232-A234 PolarHBondContact O-N 3.17Å; V232-F235 PolarHBondContact O-N 3.22Å; V232-Y236 VanDerWaalsContact O-CB 3.26Å; V232-Y236 WeakPolarHBondContact O-CB 3.37Å; V232-Y236 PolarHBondContact O-N 2.83Å; V232-F264 HydrophobicContact CG2-CD1 4.24Å; V232-F264 HydrophobicContact CG2-CE1 4.04Å; V232-L268 HydrophobicContact CB-CD2 3.96Å; V232-L268 HydrophobicContact CG1-CB 4.26Å; V232-L268 HydrophobicContact CG1-CD2 3.84Å; V232-Q271 HydrophobicContact CG1-CB 4.3Å; V232-L272 HydrophobicContact CG2-CD1 4.33Å; V232-L272 HydrophobicContact CG2-CD2 4.27Å; V232-L304 HydrophobicContact CG2-CD1 3.98Å
233S94Very high91.8Very high27 Ų2741 Ų4119%0.18922%0.224CC..Hα-helixtrans-62.3-40.4176.9-64.40000112.7A229 F235 Y236 L237A229-S233 WeakPolarHBondContact O-CB 3.23Å; A229-S233 PolarHBondContact O-N 3.3Å; A229-S233 PolarHBondContact O-OG 3.13Å; S233-F235 VanDerWaalsContact C-N 3.34Å; S233-F235 PolarHBondContact O-N 3.22Å; S233-Y236 PolarHBondContact O-N 2.99Å; S233-L237 WeakPolarHBondContact O-CB 3.43Å; S233-L237 PolarHBondContact O-N 3.32Å
234A93.7Very high91.7Very high16 Ų1644 Ų4413%0.13224%0.239CC..Hα-helixtrans-65.8-34.1175.200000112.8P230 A231 V232 R238 I310 L311P230-A234 WeakPolarHBondContact O-CB 3.46Å; P230-A234 PolarHBondContact O-N 2.93Å; A231-A234 PolarHBondContact O-N 3.4Å; V232-A234 PolarHBondContact O-N 3.17Å; A234-R238 PolarHBondContact O-N 3.1Å; A234-I310 HydrophobicContact CB-CB 4.39Å; A234-I310 HydrophobicContact CB-CG2 4.1Å; A234-L311 HydrophobicContact CB-CD2 3.78Å; A234-L311 HydrophobicContact CB-CG 3.88Å
235F94.9Very high91.5Very high1 Ų145.1 Ų45.10%0.00425%0.25CC..Hα-helixtrans-71.8-45170.4177.8-96.7000111.9A231 V232 S233 L237 R238 L272 Q275 F277 K303 H306A231-F235 PolarHBondContact O-N 3.47Å; V232-F235 PolarHBondContact O-N 3.22Å; S233-F235 VanDerWaalsContact C-N 3.34Å; S233-F235 PolarHBondContact O-N 3.22Å; F235-L237 PolarHBondContact O-N 3.43Å; F235-R238 VanDerWaalsContact O-CB 3.3Å; F235-R238 WeakPolarHBondContact O-CB 3.36Å; F235-R238 VanDerWaalsContact O-CD 3.23Å; F235-R238 WeakPolarHBondContact O-CD 3.43Å; F235-R238 WeakPolarHBondContact O-CG 3.33Å; F235-R238 PolarHBondContact O-N 3.39Å; F235-R238 PolarHBondContact O-NH1 2.8Å; F235-L272 HydrophobicContact CD1-CD1 3.68Å; F235-L272 HydrophobicContact CE1-CD1 4.15Å; F235-L272 HydrophobicContact CG-CD1 4.36Å; F235-Q275 VanDerWaalsContact CE1-OE1 3.31Å; F235-F277 AromaticContact CE2-CD1 3.9Å; F235-F277 HydrophobicContact CE2-CD1 3.9Å; F235-F277 HydrophobicContact CE2-CD2 4.1Å; F235-F277 HydrophobicContact CE2-CE1 4.03Å; F235-F277 HydrophobicContact CE2-CE2 4.24Å; F235-F277 AromaticContact CE2-CG 3.93Å; F235-F277 HydrophobicContact CE2-CG 3.93Å; F235-F277 HydrophobicContact CE2-CZ 4.21Å; F235-F277 HydrophobicContact CZ-CB 3.82Å; F235-F277 AromaticContact CZ-CD1 3.91Å; F235-F277 HydrophobicContact CZ-CD1 3.91Å; F235-F277 HydrophobicContact CZ-CD2 4.02Å; F235-F277 AromaticContact CZ-CG 3.63Å; F235-F277 HydrophobicContact CZ-CG 3.63Å; F235-K303 HydrophobicContact CD1-CB 4.12Å; F235-K303 HydrophobicContact CD2-CB 4.36Å; F235-K303 VanDerWaalsContact CD2-O 3.27Å; F235-K303 WeakPolarHBondContact CD2-O 3.31Å; F235-K303 HydrophobicContact CE1-CB 3.75Å; F235-K303 HydrophobicContact CE1-CD 4.02Å; F235-K303 HydrophobicContact CE1-CG 3.82Å; F235-K303 HydrophobicContact CE2-CB 4.01Å; F235-K303 HydrophobicContact CE2-CG 4.18Å; F235-K303 HydrophobicContact CG-CB 4.41Å; F235-K303 WeakPolarHBondContact CG-O 3.31Å; F235-K303 HydrophobicContact CZ-CB 3.7Å; F235-K303 HydrophobicContact CZ-CD 4.16Å; F235-K303 HydrophobicContact CZ-CG 3.55Å; F235-H306 HydrophobicContact CD2-CB 3.81Å; F235-H306 HydrophobicContact CE2-CB 4.16Å
236Y93.3Very high91.3Very high86 Ų8642.2 Ų42.234%0.33723%0.231SC..Hα-helixtrans-63.4-40.2-175.4-177.1-99.7000112.1V232 S233 Q271 Q275V232-Y236 VanDerWaalsContact O-CB 3.26Å; V232-Y236 WeakPolarHBondContact O-CB 3.37Å; V232-Y236 PolarHBondContact O-N 2.83Å; S233-Y236 PolarHBondContact O-N 2.99Å; Y236-Q271 HydrophobicContact CD2-CB 3.75Å; Y236-Q271 HydrophobicContact CD2-CG 4.01Å; Y236-Q271 HydrophobicContact CE2-CB 4.01Å; Y236-Q271 HydrophobicContact CE2-CG 3.89Å; Y236-Q271 HydrophobicContact CG-CB 4.47Å; Y236-Q275 HydrophobicContact CD2-CG 4.21Å; Y236-Q275 HydrophobicContact CE2-CG 4.32Å; Y236-Q275 VanDerWaalsContact CE2-NE2 3.31Å; Y236-Q275 PolarHBondContact O-NE2 3.01Å
237L90.9Very high91Very high134 Ų13445.2 Ų45.270%0.70224%0.239SC*.THydrogen-bonded Turntrans-97.215.7179.4-57.6176.6000113.8S233 F235S233-L237 WeakPolarHBondContact O-CB 3.43Å; S233-L237 PolarHBondContact O-N 3.32Å; F235-L237 PolarHBondContact O-N 3.43Å
238R92.3Very high90.3Very high60 Ų6048.3 Ų48.323%0.22626%0.261CS..  trans-57.2142.1-176.469.3-169.1176.7-80.70.9112.6A234 F235 D242 I310A234-R238 PolarHBondContact O-N 3.1Å; F235-R238 VanDerWaalsContact O-CB 3.3Å; F235-R238 WeakPolarHBondContact O-CB 3.36Å; F235-R238 VanDerWaalsContact O-CD 3.23Å; F235-R238 WeakPolarHBondContact O-CD 3.43Å; F235-R238 WeakPolarHBondContact O-CG 3.33Å; F235-R238 PolarHBondContact O-N 3.39Å; F235-R238 PolarHBondContact O-NH1 2.8Å; R238-D242 HydrophobicContact CB-CB 4.3Å; R238-I310 HydrophobicContact CB-CD1 3.93Å
239D88.9Confident89.8Confident71 Ų7148.6 Ų48.638%0.3826%0.262SS..  trans-105.9176.617073.728.8000112V241 D242 L243D239-V241 VanDerWaalsContact C-N 3.26Å; D239-V241 PolarHBondContact O-N 3.28Å; D239-V241 VanDerWaalsContact OD1-CA 3.32Å; D239-V241 WeakPolarHBondContact OD1-CA 3.39Å; D239-V241 VanDerWaalsContact OD1-CB 3.28Å; D239-V241 WeakPolarHBondContact OD1-CB 3.49Å; D239-V241 PolarHBondContact OD1-N 3.31Å; D239-D242 PolarHBondContact N-OD2 3.04Å; D239-D242 WeakPolarHBondContact O-CB 3.29Å; D239-D242 PolarHBondContact O-N 2.62Å; D239-D242 PolarHBondContact OD1-N 2.93Å; D239-L243 PolarHBondContact O-N 2.98Å
240P86.8Confident89.3Confident98 Ų9856.8 Ų56.864%0.63630%0.297SS*.Hα-helixtrans-64.2-25.3177.1-25.636.6000114.7Q244P240-Q244 WeakPolarHBondContact O-CG 3.37Å; P240-Q244 PolarHBondContact O-N 3.45Å; P240-Q244 VanDerWaalsContact O-N 3.17Å
241V85.9Confident88.9Confident96 Ų9656.8 Ų56.858%0.58230%0.297SS*.Hα-helixtrans-75.3-39178.7-175.80000110D239 L243 Q244 A245D239-V241 VanDerWaalsContact C-N 3.26Å; D239-V241 PolarHBondContact O-N 3.28Å; D239-V241 VanDerWaalsContact OD1-CA 3.32Å; D239-V241 WeakPolarHBondContact OD1-CA 3.39Å; D239-V241 VanDerWaalsContact OD1-CB 3.28Å; D239-V241 WeakPolarHBondContact OD1-CB 3.49Å; D239-V241 PolarHBondContact OD1-N 3.31Å; V241-L243 VanDerWaalsContact C-N 3.32Å; V241-L243 PolarHBondContact O-N 3.08Å; V241-Q244 WeakPolarHBondContact O-CB 3.42Å; V241-Q244 PolarHBondContact O-N 2.99Å; V241-Q244 VanDerWaalsContact O-N 3.13Å; V241-A245 PolarHBondContact O-N 3.33Å; V241-A245 VanDerWaalsContact O-N 3.14Å
242D88.3Confident88.7Confident8 Ų856.8 Ų56.84%0.04330%0.297CS..Hα-helixtrans-58.3-43.7172.7-70-17000112R238 D239 Q244 A245 C246 I310 K314R238-D242 HydrophobicContact CB-CB 4.3Å; D239-D242 PolarHBondContact N-OD2 3.04Å; D239-D242 WeakPolarHBondContact O-CB 3.29Å; D239-D242 PolarHBondContact O-N 2.62Å; D239-D242 PolarHBondContact OD1-N 2.93Å; D242-Q244 VanDerWaalsContact C-N 3.35Å; D242-A245 WeakPolarHBondContact O-CB 3.47Å; D242-A245 PolarHBondContact O-N 3.01Å; D242-C246 PolarHBondContact O-N 3.1Å; D242-C246 PolarHBondContact O-SG 2.87Å; D242-C246 VanDerWaalsContact O-SG 3.33Å; D242-I310 HydrophobicContact CB-CD1 3.95Å; D242-I310 HydrophobicContact CB-CG1 3.92Å; D242-I310 HydrophobicContact CB-CG2 3.91Å; D242-K314 WeakPolarHBondContact OD1-CE 3.49Å; D242-K314 IonicContact OD1-NZ 2.7Å; D242-K314 PolarHBondContact OD1-NZ 3.21Å; D242-K314 IonicContact OD2-NZ 3.38Å; D242-K314 PolarHBondContact OD2-NZ 3.48Å
243L87.7Confident88.3Confident58 Ų5859.5 Ų59.530%0.30432%0.315SS..Hα-helixtrans-67.2-33.3175.5-72.8174.8000112.6D239 V241 A245 C246 R247 F277D239-L243 PolarHBondContact O-N 2.98Å; V241-L243 VanDerWaalsContact C-N 3.32Å; V241-L243 PolarHBondContact O-N 3.08Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-A245 PolarHBondContact O-N 3.24Å; L243-C246 PolarHBondContact O-N 3.04Å; L243-R247 PolarHBondContact O-N 3.19Å; L243-F277 HydrophobicContact CD2-CE2 3.89Å; L243-F277 HydrophobicContact CD2-CZ 4.1Å
244Q85.9Confident87.9Confident111 Ų11158.8 Ų58.852%0.51931%0.309SS..Hα-helixtrans-63.5-37.8172.9-71.7175.919.300112.1P240 V241 D242 C246 R247P240-Q244 WeakPolarHBondContact O-CG 3.37Å; P240-Q244 PolarHBondContact O-N 3.45Å; P240-Q244 VanDerWaalsContact O-N 3.17Å; V241-Q244 WeakPolarHBondContact O-CB 3.42Å; V241-Q244 PolarHBondContact O-N 2.99Å; V241-Q244 VanDerWaalsContact O-N 3.13Å; D242-Q244 VanDerWaalsContact C-N 3.35Å; Q244-C246 VanDerWaalsContact C-N 3.3Å; Q244-C246 PolarHBondContact O-N 3.36Å; Q244-R247 WeakPolarHBondContact O-CB 3.41Å; Q244-R247 PolarHBondContact O-N 3.31Å
245A84.8Confident87.6Confident33 Ų3365.2 Ų65.227%0.27334%0.341SS..Hα-helixtrans-63.5-37.2175.200000112.1V241 D242 L243 R247V241-A245 PolarHBondContact O-N 3.33Å; V241-A245 VanDerWaalsContact O-N 3.14Å; D242-A245 WeakPolarHBondContact O-CB 3.47Å; D242-A245 PolarHBondContact O-N 3.01Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-A245 PolarHBondContact O-N 3.24Å; A245-R247 PolarHBondContact O-N 3.09Å
246C86.9Confident87.3Confident2 Ų266.6 Ų66.61%0.01435%0.35CS..Hα-helixtrans-67.9-13.4177.8-62.50000114.4D242 L243 Q244 S248 F249 I310D242-C246 PolarHBondContact O-N 3.1Å; D242-C246 PolarHBondContact O-SG 2.87Å; D242-C246 VanDerWaalsContact O-SG 3.33Å; L243-C246 PolarHBondContact O-N 3.04Å; Q244-C246 VanDerWaalsContact C-N 3.3Å; Q244-C246 PolarHBondContact O-N 3.36Å; C246-S248 PolarHBondContact O-N 3.49Å; C246-F249 HydrophobicContact CB-CE2 4.13Å; C246-F249 HydrophobicContact CB-CZ 4.27Å; C246-F249 WeakPolarHBondContact O-CD2 3.46Å; C246-F249 WeakPolarHBondContact O-CE2 3.27Å; C246-I310 VanDerWaalsContact SG-CG1 3.53Å
247R85.6Confident87.2Confident103 Ų10365 Ų6539%0.38934%0.343SS..THydrogen-bonded Turntrans-61.9-14.6-177.4-74.6179.8164.5154.92.3115.9L243 Q244 A245 D280 R282L243-R247 PolarHBondContact O-N 3.19Å; Q244-R247 WeakPolarHBondContact O-CB 3.41Å; Q244-R247 PolarHBondContact O-N 3.31Å; A245-R247 PolarHBondContact O-N 3.09Å; R247-D280 WeakPolarHBondContact CG-OD2 3.47Å; R247-D280 IonicContact CZ-OD2 2.91Å; R247-D280 IonicContact NE-OD2 3.25Å; R247-D280 PolarHBondContact NE-OD2 3.1Å; R247-D280 IonicContact NH2-OD2 3.71Å; R247-R282 CarbonylContact O-C 3.59Å
248S78.8Confident87.2Confident68 Ų6858.8 Ų58.848%0.47631%0.311SS..THydrogen-bonded Turntrans-131.62.7-172.8570000114.9C246 K250C246-S248 PolarHBondContact O-N 3.49Å; S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 3.24Å; S248-K250 VanDerWaalsContact OG-CE 3.31Å; S248-K250 WeakPolarHBondContact OG-CE 3.41Å
249F85.3Confident87.2Confident6 Ų656.4 Ų56.43%0.02630%0.303CS..  trans32.157.1175.8-86.6-80.2000115.2C246 T251 F252 F285 A305 H306 E309C246-F249 HydrophobicContact CB-CE2 4.13Å; C246-F249 HydrophobicContact CB-CZ 4.27Å; C246-F249 WeakPolarHBondContact O-CD2 3.46Å; C246-F249 WeakPolarHBondContact O-CE2 3.27Å; F249-T251 VanDerWaalsContact C-N 3.3Å; F249-T251 PolarHBondContact O-N 3.39Å; F249-F252 HydrophobicContact CD1-CB 4.36Å; F249-F252 WeakPolarHBondContact CD1-O 3.24Å; F249-F285 HydrophobicContact CB-CE2 4.5Å; F249-F285 AromaticContact CD1-CE2 3.64Å; F249-F285 HydrophobicContact CD1-CE2 3.64Å; F249-F285 HydrophobicContact CD1-CZ 4.25Å; F249-F285 AromaticContact CD2-CD2 3.66Å; F249-F285 HydrophobicContact CD2-CD2 3.66Å; F249-F285 AromaticContact CD2-CE2 3.5Å; F249-F285 HydrophobicContact CD2-CE2 3.5Å; F249-F285 VanDerWaalsContact CD2-CE2 3.5Å; F249-F285 HydrophobicContact CE1-CD2 4.39Å; F249-F285 AromaticContact CE1-CE2 3.6Å; F249-F285 HydrophobicContact CE1-CE2 3.6Å; F249-F285 HydrophobicContact CE1-CZ 4.02Å; F249-F285 AromaticContact CE2-CD2 3.46Å; F249-F285 HydrophobicContact CE2-CD2 3.46Å; F249-F285 VanDerWaalsContact CE2-CD2 3.46Å; F249-F285 AromaticContact CE2-CE2 3.47Å; F249-F285 HydrophobicContact CE2-CE2 3.47Å; F249-F285 VanDerWaalsContact CE2-CE2 3.47Å; F249-F285 HydrophobicContact CG-CD2 4.24Å; F249-F285 AromaticContact CG-CE2 3.59Å; F249-F285 HydrophobicContact CG-CE2 3.59Å; F249-F285 AromaticContact CZ-CD2 3.86Å; F249-F285 HydrophobicContact CZ-CD2 3.86Å; F249-F285 AromaticContact CZ-CE2 3.52Å; F249-F285 HydrophobicContact CZ-CE2 3.52Å; F249-F285 HydrophobicContact CZ-CZ 4.17Å; F249-A305 HydrophobicContact CE1-CB 4.22Å; F249-H306 AromaticContact CE2-CE1 3.69Å; F249-H306 AromaticContact CE2-NE2 3.71Å; F249-H306 HydrophobicContact CZ-CB 4.48Å; F249-H306 AromaticContact CZ-CD2 3.92Å; F249-H306 AromaticContact CZ-CE1 3.58Å; F249-H306 AromaticContact CZ-CG 3.79Å; F249-H306 AromaticContact CZ-ND1 3.59Å; F249-H306 AromaticContact CZ-NE2 3.82Å; F249-E309 HydrophobicContact CD1-CB 3.97Å; F249-E309 HydrophobicContact CD1-CG 3.91Å; F249-E309 HydrophobicContact CE1-CB 3.66Å; F249-E309 HydrophobicContact CE1-CG 4.06Å; F249-E309 HydrophobicContact CZ-CB 4.42Å
250K84.6Confident87.4Confident174 Ų17453.8 Ų53.876%0.75729%0.291SS*.SBendtrans-69.5-31.2-173.1-66177.2-177.41690112S248 E309S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 3.24Å; S248-K250 VanDerWaalsContact OG-CE 3.31Å; S248-K250 WeakPolarHBondContact OG-CE 3.41Å; K250-E309 PolarHBondContact N-OE1 2.92Å; K250-E309 VanDerWaalsContact N-OE1 3.13Å
251T86.1Confident87.8Confident40 Ų4051 Ų5125%0.24527%0.273CS..SBendtrans-92-39.4-176.2-38.20000111.4F249 E309 C312 L384 L387F249-T251 VanDerWaalsContact C-N 3.3Å; F249-T251 PolarHBondContact O-N 3.39Å; T251-E309 WeakPolarHBondContact CA-OE2 3.45Å; T251-E309 WeakPolarHBondContact CB-OE1 3.44Å; T251-E309 VanDerWaalsContact CB-OE2 3.27Å; T251-E309 WeakPolarHBondContact CB-OE2 3.43Å; T251-E309 PolarHBondContact N-OE1 3.3Å; T251-E309 PolarHBondContact N-OE2 3.48Å; T251-E309 VanDerWaalsContact N-OE2 3.13Å; T251-E309 PolarHBondContact OG1-OE1 2.66Å; T251-C312 HydrophobicContact CG2-CB 3.84Å; T251-L384 HydrophobicContact CG2-CD2 3.78Å; T251-L387 HydrophobicContact CG2-CD1 3.95Å
252F90.8Very high88.2Confident1 Ų146.7 Ų46.70%0.00425%0.248CC..SBendtrans-126.480-174.7-61.8-73.9000113.5P214 V217 F249 F308 E309 C312 I383 L387P214-F252 HydrophobicContact CB-CB 3.95Å; P214-F252 HydrophobicContact CG-CB 3.99Å; V217-F252 HydrophobicContact CB-CE1 4.47Å; V217-F252 HydrophobicContact CG2-CB 4.38Å; V217-F252 HydrophobicContact CG2-CD1 3.42Å; V217-F252 VanDerWaalsContact CG2-CD1 3.42Å; V217-F252 HydrophobicContact CG2-CD2 4.39Å; V217-F252 HydrophobicContact CG2-CE1 3.62Å; V217-F252 HydrophobicContact CG2-CG 3.82Å; V217-F252 HydrophobicContact CG2-CZ 4.2Å; F249-F252 HydrophobicContact CD1-CB 4.36Å; F249-F252 WeakPolarHBondContact CD1-O 3.24Å; F252-F308 HydrophobicContact CD2-CB 4.05Å; F252-F308 HydrophobicContact CE2-CB 3.69Å; F252-F308 HydrophobicContact CE2-CD1 4.45Å; F252-F308 HydrophobicContact CZ-CB 4.15Å; F252-F308 HydrophobicContact CZ-CD1 4.17Å; F252-E309 HydrophobicContact CD2-CB 4.47Å; F252-E309 WeakPolarHBondContact CD2-OE2 3.36Å; F252-E309 PolarHBondContact N-OE2 3.32Å; F252-C312 HydrophobicContact CE2-CB 4.47Å; F252-I383 HydrophobicContact CE2-CG2 4.35Å; F252-I383 HydrophobicContact CZ-CG2 3.65Å; F252-L387 HydrophobicContact CE1-CD1 3.73Å; F252-L387 HydrophobicContact CE1-CD2 4.08Å; F252-L387 HydrophobicContact CE1-CG 4.44Å; F252-L387 HydrophobicContact CZ-CD1 3.72Å
253P89Confident88.6Confident57 Ų5748.5 Ų48.537%0.3726%0.259SS..  trans-61.8133.7-174.8-25.435000114D255 T256P253-D255 VanDerWaalsContact C-N 3.26Å; P253-D255 PolarHBondContact O-N 3.15Å; P253-T256 HydrophobicContact CB-CG2 4.47Å; P253-T256 PolarHBondContact O-N 3.29Å; P253-T256 VanDerWaalsContact O-N 3.14Å; P253-T256 PolarHBondContact O-OG1 3.42Å
254P86.6Confident88.9Confident11 Ų1145.7 Ų45.77%0.07124%0.244CC..G310 helixtrans-64.3-24.3-177.422.6-31.9000114T256 R257 D284 F285P254-T256 PolarHBondContact O-N 2.82Å; P254-R257 WeakPolarHBondContact O-CB 3.46Å; P254-R257 WeakPolarHBondContact O-CD 3.25Å; P254-R257 WeakPolarHBondContact O-CG 3.42Å; P254-R257 PolarHBondContact O-N 2.93Å; P254-R257 PolarHBondContact O-NE 3.13Å; P254-D284 HydrophobicContact CB-CB 4.41Å; P254-D284 HydrophobicContact CG-CB 3.77Å; P254-F285 HydrophobicContact CB-CD2 3.94Å; P254-F285 HydrophobicContact CB-CE2 3.68Å; P254-F285 HydrophobicContact CB-CZ 4.08Å; P254-F285 HydrophobicContact CG-CD2 4.49Å; P254-F285 HydrophobicContact CG-CE2 4.27Å
255D86.7Confident89.4Confident151 Ų15140.8 Ų40.881%0.80722%0.222SC*.G310 helixtrans-62.7-22.2175.6-63.8-24.2000113.2P253 R257P253-D255 VanDerWaalsContact C-N 3.26Å; P253-D255 PolarHBondContact O-N 3.15Å; D255-R257 VanDerWaalsContact C-N 3.31Å
256T88.1Confident89.8Confident31 Ų3143.4 Ų43.419%0.1923%0.225CC..G310 helixtrans-90.710.2-177.770.30000113.3A215 P253 P254 L394A215-T256 WeakPolarHBondContact CB-O 3.38Å; A215-T256 PolarHBondContact N-O 2.88Å; A215-T256 PolarHBondContact N-OG1 3.13Å; P253-T256 HydrophobicContact CB-CG2 4.47Å; P253-T256 PolarHBondContact O-N 3.29Å; P253-T256 VanDerWaalsContact O-N 3.14Å; P253-T256 PolarHBondContact O-OG1 3.42Å; P254-T256 PolarHBondContact O-N 2.82Å; T256-L394 HydrophobicContact CG2-CD2 4.46Å
257R90.6Very high90.2Very high52 Ų5244.5 Ų44.520%0.19623%0.232CC..EExtended strand (participates in β ladder)trans-60.7135.5-178.3-76.7174.4-68.5-178.3-8.6112.3F212 I213 P214 P254 D255 D284 F285F212-R257 HydrophobicContact CD1-CB 3.68Å; F212-R257 HydrophobicContact CD1-CG 4.2Å; F212-R257 HydrophobicContact CE1-CB 3.39Å; F212-R257 HydrophobicContact CE1-CG 4.28Å; F212-R257 HydrophobicContact CG-CB 4.47Å; F212-R257 HydrophobicContact CZ-CB 3.98Å; I213-R257 CarbonylContact O-C 3.53Å; I213-R257 VanDerWaalsContact O-CA 3.32Å; I213-R257 WeakPolarHBondContact O-CA 3.39Å; P214-R257 HydrophobicContact CG-CG 4.33Å; P254-R257 WeakPolarHBondContact O-CB 3.46Å; P254-R257 WeakPolarHBondContact O-CD 3.25Å; P254-R257 WeakPolarHBondContact O-CG 3.42Å; P254-R257 PolarHBondContact O-N 2.93Å; P254-R257 PolarHBondContact O-NE 3.13Å; D255-R257 VanDerWaalsContact C-N 3.31Å; R257-D284 PolarHBondContact NH2-O 3.03Å; R257-F285 HydrophobicContact CG-CE1 4.34Å
258V91.7Very high90.6Very high3 Ų339.6 Ų39.62%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-137.3149.2177.5-68.80000109.1I213 A215 A218 A260 F397I213-V258 PolarHBondContact N-O 3.45Å; I213-V258 PolarHBondContact O-N 3.31Å; A215-V258 HydrophobicContact CB-CG2 4.34Å; A218-V258 HydrophobicContact CB-CG2 4.14Å; V258-A260 PolarHBondContact O-N 3.49Å; V258-F397 HydrophobicContact CB-CB 4.24Å; V258-F397 HydrophobicContact CG1-CB 3.99Å; V258-F397 HydrophobicContact CG2-CB 4.04Å; V258-F397 HydrophobicContact CG2-CG 4.41Å
259L93.1Very high91.5Very high11 Ų1136.3 Ų36.36%0.05819%0.191CC..EExtended strand (participates in β ladder)trans-76.9124.3171.1-166.971.8000109.1H210 F212 A297 E401 L404H210-L259 HydrophobicContact CB-CD1 3.96Å; H210-L259 HydrophobicContact CB-CG 4.3Å; F212-L259 HydrophobicContact CD2-CB 4.03Å; F212-L259 HydrophobicContact CD2-CD1 4.13Å; F212-L259 HydrophobicContact CE2-CB 4.41Å; L259-A297 HydrophobicContact CD1-CB 4.02Å; L259-E401 HydrophobicContact CB-CG 3.9Å; L259-E401 WeakPolarHBondContact CB-OE1 3.39Å; L259-E401 HydrophobicContact CD2-CG 4.4Å; L259-L404 HydrophobicContact CB-CD1 4.39Å; L259-L404 HydrophobicContact CD2-CD1 3.97Å; L259-L404 HydrophobicContact CG-CD1 3.92Å
260A92.9Very high91.9Very high16 Ų1636.9 Ų36.913%0.13220%0.196CC..EExtended strand (participates in β ladder)trans-135145.917800000110.9H210 C211 I213 A218 V258H210-A260 WeakPolarHBondContact CA-O 3.32Å; C211-A260 PolarHBondContact N-O 2.88Å; C211-A260 PolarHBondContact O-N 3.15Å; I213-A260 HydrophobicContact CD1-CB 3.97Å; I213-A260 HydrophobicContact CG1-CB 4.09Å; A218-A260 HydrophobicContact CB-CB 4.44Å; V258-A260 PolarHBondContact O-N 3.49Å
261S94.5Very high92.3Very high38 Ų3829.4 Ų29.427%0.26616%0.164SC..EExtended strand (participates in β ladder)trans-82.3117169.5-1780000109.2A209A209-S261 WeakPolarHBondContact O-CA 3.15Å
262V95.4Very high92.7Very high7 Ų727.5 Ų27.54%0.04215%0.152CC..EExtended strand (participates in β ladder)trans-105.6136.9178.5-179.70000108.8R208 A209 C211 I213 L221 V228 F264 L304R208-V262 WeakPolarHBondContact CA-O 3.48Å; A209-V262 PolarHBondContact N-O 2.95Å; A209-V262 PolarHBondContact O-N 3.42Å; C211-V262 HydrophobicContact CB-CG2 3.98Å; I213-V262 HydrophobicContact CD1-CG2 4Å; L221-V262 HydrophobicContact CD1-CG1 3.98Å; L221-V262 HydrophobicContact CD1-CG2 4Å; V228-V262 HydrophobicContact CG2-CG1 3.88Å; V262-F264 HydrophobicContact CB-CD2 4.45Å; V262-F264 HydrophobicContact CB-CE2 3.68Å; V262-F264 HydrophobicContact CB-CZ 3.9Å; V262-F264 HydrophobicContact CG1-CD1 4.49Å; V262-F264 HydrophobicContact CG1-CD2 4.13Å; V262-F264 HydrophobicContact CG1-CE1 3.97Å; V262-F264 HydrophobicContact CG1-CE2 3.56Å; V262-F264 HydrophobicContact CG1-CZ 3.47Å; V262-F264 VanDerWaalsContact CG1-CZ 3.47Å; V262-L304 HydrophobicContact CG1-CD2 4.1Å; V262-L304 HydrophobicContact CG2-CD2 4.24Å
263T94.9Very high92.8Very high45 Ų4529.8 Ų29.828%0.27616%0.163SC..EExtended strand (participates in β ladder)trans-101124.4176.6-53.10000109.6I54 L206 R208I54-T263 HydrophobicContact CD1-CG2 4.44Å; L206-T263 HydrophobicContact CB-CG2 4.04Å; L206-T263 HydrophobicContact CD1-CG2 4.11Å; L206-T263 HydrophobicContact CD2-CG2 4.19Å; L206-T263 HydrophobicContact CG-CG2 4.33Å; R208-T263 HydrophobicContact CG-CG2 4.1Å
264F95.3Very high92.8Very high0 Ų033.8 Ų33.80%018%0.176CC..EExtended strand (participates in β ladder)trans-115.5167.9176.7-56.5-93000109.9L206 H207 A209 V228 V232 V262 L268 Y269 L272 L304L206-F264 CarbonylContact C-O 3.37Å; L206-F264 VanDerWaalsContact CA-O 3.27Å; L206-F264 WeakPolarHBondContact CA-O 3.34Å; H207-F264 PolarHBondContact N-O 3.42Å; H207-F264 PolarHBondContact O-N 3.02Å; A209-F264 HydrophobicContact CB-CE2 4.34Å; V228-F264 HydrophobicContact CG2-CD1 3.48Å; V228-F264 VanDerWaalsContact CG2-CD1 3.48Å; V228-F264 HydrophobicContact CG2-CE1 3.39Å; V228-F264 HydrophobicContact CG2-CG 4.43Å; V228-F264 HydrophobicContact CG2-CZ 4.29Å; V232-F264 HydrophobicContact CG2-CD1 4.24Å; V232-F264 HydrophobicContact CG2-CE1 4.04Å; V262-F264 HydrophobicContact CB-CD2 4.45Å; V262-F264 HydrophobicContact CB-CE2 3.68Å; V262-F264 HydrophobicContact CB-CZ 3.9Å; V262-F264 HydrophobicContact CG1-CD1 4.49Å; V262-F264 HydrophobicContact CG1-CD2 4.13Å; V262-F264 HydrophobicContact CG1-CE1 3.97Å; V262-F264 HydrophobicContact CG1-CE2 3.56Å; V262-F264 HydrophobicContact CG1-CZ 3.47Å; V262-F264 VanDerWaalsContact CG1-CZ 3.47Å; F264-L268 HydrophobicContact CB-CB 4.31Å; F264-L268 HydrophobicContact CD1-CB 4.39Å; F264-Y269 HydrophobicContact CD2-CD2 4.17Å; F264-Y269 HydrophobicContact CE2-CD2 4.45Å; F264-L272 HydrophobicContact CE1-CD2 3.96Å; F264-L272 HydrophobicContact CZ-CD2 4.14Å; F264-L304 HydrophobicContact CE1-CD1 4.47Å; F264-L304 HydrophobicContact CE1-CD2 4.31Å; F264-L304 HydrophobicContact CZ-CD2 4.11Å
265T95Very high92.9Very high7 Ų735.3 Ų35.34%0.04318%0.183CC..EExtended strand (participates in β ladder)trans-75.4157.7150.669.30000108.9I54 N205 C267 L268 Y269I54-T265 HydrophobicContact CB-CG2 4Å; I54-T265 HydrophobicContact CG2-CG2 4.16Å; I54-T265 WeakPolarHBondContact O-CG2 3.37Å; N205-T265 CarbonylContact O-C 3.59Å; N205-T265 WeakPolarHBondContact O-CA 3.26Å; T265-C267 PolarHBondContact O-N 3.32Å; T265-L268 HydrophobicContact CG2-CD1 4.16Å; T265-L268 PolarHBondContact O-N 3.3Å; T265-L268 WeakPolarHBondContact OG1-CD1 3.44Å; T265-L268 VanDerWaalsContact OG1-CG 3.28Å; T265-L268 WeakPolarHBondContact OG1-CG 3.46Å; T265-L268 PolarHBondContact OG1-N 3.41Å; T265-L268 VanDerWaalsContact OG1-N 3.15Å; T265-Y269 WeakPolarHBondContact O-CB 3.38Å; T265-Y269 PolarHBondContact O-N 3.27Å
266R94.3Very high92.9Very high89 Ų8936 Ų3634%0.33618%0.181SC..Hα-helixtrans-54-40.2171.7-74.4-177.6-168.1-154.13.6112.2A204 N205 H207 Y269 A270 W412A204-R266 VanDerWaalsContact O-CZ 3.28Å; A204-R266 PolarHBondContact O-NE 3.36Å; A204-R266 PolarHBondContact O-NH2 3.49Å; N205-R266 PolarHBondContact O-N 2.88Å; H207-R266 HydrophobicContact CB-CG 4.33Å; R266-Y269 PolarHBondContact O-N 3.4Å; R266-A270 WeakPolarHBondContact O-CB 3.49Å; R266-A270 PolarHBondContact O-N 2.85Å; R266-W412 HydrophobicContact CB-CE3 4.4Å; R266-W412 HydrophobicContact CB-CH2 3.5Å; R266-W412 HydrophobicContact CB-CZ2 3.81Å; R266-W412 HydrophobicContact CB-CZ3 3.82Å; R266-W412 HydrophobicContact CG-CD2 4.23Å; R266-W412 HydrophobicContact CG-CE3 4.38Å; R266-W412 HydrophobicContact CG-CH2 3.91Å; R266-W412 HydrophobicContact CG-CZ2 3.7Å; R266-W412 HydrophobicContact CG-CZ3 4.23Å; R266-W412 VanDerWaalsContact O-CH2 3.24Å; R266-W412 WeakPolarHBondContact O-CH2 3.28Å
267C94.3Very high93Very high24 Ų2435.6 Ų35.616%0.16218%0.177CC..Hα-helixtrans-60.1-54.3177.3-172.30000112.1N84 T265 Y269 A270 Q271N84-C267 HydrophobicContact CB-CB 3.93Å; T265-C267 PolarHBondContact O-N 3.32Å; C267-Y269 VanDerWaalsContact C-N 3.27Å; C267-Y269 PolarHBondContact O-N 3.18Å; C267-A270 PolarHBondContact O-N 3Å; C267-Q271 WeakPolarHBondContact O-CG 3.26Å; C267-Q271 PolarHBondContact O-N 3.47Å
268L95.9Very high92.9Very high0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-58.3-39.7178.1-67.7168.4000112.2I54 V228 A229 V232 F264 T265 L272I54-L268 HydrophobicContact CG2-CD1 3.82Å; V228-L268 HydrophobicContact CG1-CD1 4.22Å; A229-L268 HydrophobicContact CB-CD1 3.62Å; A229-L268 HydrophobicContact CB-CD2 4.07Å; V232-L268 HydrophobicContact CB-CD2 3.96Å; V232-L268 HydrophobicContact CG1-CB 4.26Å; V232-L268 HydrophobicContact CG1-CD2 3.84Å; F264-L268 HydrophobicContact CB-CB 4.31Å; F264-L268 HydrophobicContact CD1-CB 4.39Å; T265-L268 HydrophobicContact CG2-CD1 4.16Å; T265-L268 PolarHBondContact O-N 3.3Å; T265-L268 WeakPolarHBondContact OG1-CD1 3.44Å; T265-L268 VanDerWaalsContact OG1-CG 3.28Å; T265-L268 WeakPolarHBondContact OG1-CG 3.46Å; T265-L268 PolarHBondContact OG1-N 3.41Å; T265-L268 VanDerWaalsContact OG1-N 3.15Å; L268-L272 WeakPolarHBondContact O-CB 3.47Å; L268-L272 PolarHBondContact O-N 2.87Å; L268-L272 VanDerWaalsContact O-N 3.13Å
269Y96.2Very high92.6Very high0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-66.6-44.6176.9178.6-101.6000112.5H207 A209 F264 T265 R266 C267 L272 Q273 K296 L300 D410 W412 L413H207-Y269 AromaticContact CD2-CD1 3.71Å; H207-Y269 AromaticContact CD2-CD2 3.44Å; H207-Y269 VanDerWaalsContact CD2-CD2 3.44Å; H207-Y269 WeakPolarHBondContact CD2-CD2 3.41Å; H207-Y269 AromaticContact CD2-CE1 3.8Å; H207-Y269 AromaticContact CD2-CE2 3.6Å; H207-Y269 AromaticContact CD2-CG 3.47Å; H207-Y269 VanDerWaalsContact CD2-CG 3.47Å; H207-Y269 AromaticContact CD2-CZ 3.73Å; H207-Y269 AromaticContact CE1-CE1 3.86Å; H207-Y269 AromaticContact CE1-CZ 3.94Å; H207-Y269 AromaticContact NE2-CD1 3.9Å; H207-Y269 AromaticContact NE2-CD2 3.8Å; H207-Y269 AromaticContact NE2-CE1 3.47Å; H207-Y269 WeakPolarHBondContact NE2-CE1 3.27Å; H207-Y269 AromaticContact NE2-CE2 3.42Å; H207-Y269 WeakPolarHBondContact NE2-CE2 3.33Å; H207-Y269 AromaticContact NE2-CG 4Å; H207-Y269 AromaticContact NE2-CZ 3.19Å; A209-Y269 HydrophobicContact CB-CD2 4.31Å; A209-Y269 HydrophobicContact CB-CE2 3.7Å; F264-Y269 HydrophobicContact CD2-CD2 4.17Å; F264-Y269 HydrophobicContact CE2-CD2 4.45Å; T265-Y269 WeakPolarHBondContact O-CB 3.38Å; T265-Y269 PolarHBondContact O-N 3.27Å; R266-Y269 PolarHBondContact O-N 3.4Å; C267-Y269 VanDerWaalsContact C-N 3.27Å; C267-Y269 PolarHBondContact O-N 3.18Å; Y269-L272 PolarHBondContact O-N 3.43Å; Y269-Q273 HydrophobicContact CE1-CB 4.39Å; Y269-Q273 VanDerWaalsContact O-CB 3.3Å; Y269-Q273 WeakPolarHBondContact O-CB 3.45Å; Y269-Q273 PolarHBondContact O-N 3Å; Y269-K296 WeakPolarHBondContact OH-CE 3.35Å; Y269-K296 PolarHBondContact OH-NZ 2.87Å; Y269-L300 HydrophobicContact CE2-CD1 3.79Å; Y269-L300 HydrophobicContact CE2-CD2 4.27Å; Y269-D410 VanDerWaalsContact CE1-OD1 3.28Å; Y269-D410 WeakPolarHBondContact CE1-OD1 3.47Å; Y269-D410 VanDerWaalsContact CZ-OD1 3.29Å; Y269-D410 PolarHBondContact OH-OD1 3.39Å; Y269-D410 PolarHBondContact OH-OD2 3.04Å; Y269-W412 HydrophobicContact CD1-CH2 4.29Å; Y269-W412 AromaticContact CD1-CZ2 3.72Å; Y269-W412 HydrophobicContact CD1-CZ2 3.72Å; Y269-W412 HydrophobicContact CE1-CZ2 4.3Å; Y269-L413 HydrophobicContact CD1-CD1 4.33Å; Y269-L413 HydrophobicContact CE1-CD1 3.86Å
270A94Very high92.2Very high17 Ų1741.9 Ų41.914%0.1422%0.22CC..Hα-helixtrans-60.6-46176.300000111.7R266 C267 L272 Q273 Q274 W412 L413R266-A270 WeakPolarHBondContact O-CB 3.49Å; R266-A270 PolarHBondContact O-N 2.85Å; C267-A270 PolarHBondContact O-N 3Å; A270-L272 VanDerWaalsContact C-N 3.26Å; A270-L272 PolarHBondContact O-N 2.81Å; A270-Q273 PolarHBondContact O-N 3.46Å; A270-Q274 WeakPolarHBondContact O-CB 3.28Å; A270-Q274 WeakPolarHBondContact O-CG 3.47Å; A270-Q274 PolarHBondContact O-N 3.01Å; A270-W412 HydrophobicContact CB-CH2 4.18Å; A270-L413 HydrophobicContact CB-CD2 3.92Å
271Q93.7Very high91.7Very high17 Ų1752 Ų528%0.07926%0.255CS..Hα-helixtrans-55.4-39.9175.2-75.6170.5-29.900112.2Q56 D83 V232 Y236 C267 Q275Q56-Q271 VanDerWaalsContact NE2-NE2 3.19Å; D83-Q271 PolarHBondContact OD2-NE2 3.46Å; V232-Q271 HydrophobicContact CG1-CB 4.3Å; Y236-Q271 HydrophobicContact CD2-CB 3.75Å; Y236-Q271 HydrophobicContact CD2-CG 4.01Å; Y236-Q271 HydrophobicContact CE2-CB 4.01Å; Y236-Q271 HydrophobicContact CE2-CG 3.89Å; Y236-Q271 HydrophobicContact CG-CB 4.47Å; C267-Q271 WeakPolarHBondContact O-CG 3.26Å; C267-Q271 PolarHBondContact O-N 3.47Å; Q271-Q275 WeakPolarHBondContact O-CG 3.32Å
272L93.6Very high91.1Very high0 Ų058.7 Ų58.70%027%0.274CS..Hα-helixtrans-79.2-39.6-179.9-159.468.5000112.9V232 F235 F264 L268 Y269 A270 L300 K303 L304V232-L272 HydrophobicContact CG2-CD1 4.33Å; V232-L272 HydrophobicContact CG2-CD2 4.27Å; F235-L272 HydrophobicContact CD1-CD1 3.68Å; F235-L272 HydrophobicContact CE1-CD1 4.15Å; F235-L272 HydrophobicContact CG-CD1 4.36Å; F264-L272 HydrophobicContact CE1-CD2 3.96Å; F264-L272 HydrophobicContact CZ-CD2 4.14Å; L268-L272 WeakPolarHBondContact O-CB 3.47Å; L268-L272 PolarHBondContact O-N 2.87Å; L268-L272 VanDerWaalsContact O-N 3.13Å; Y269-L272 PolarHBondContact O-N 3.43Å; A270-L272 VanDerWaalsContact C-N 3.26Å; A270-L272 PolarHBondContact O-N 2.81Å; L272-L300 HydrophobicContact CB-CD2 4.25Å; L272-L300 HydrophobicContact CD2-CD2 3.87Å; L272-L300 HydrophobicContact CG-CD2 3.99Å; L272-K303 HydrophobicContact CD1-CB 3.5Å; L272-K303 HydrophobicContact CD1-CD 4.27Å; L272-K303 HydrophobicContact CG-CB 4Å; L272-K303 HydrophobicContact CG-CD 4.21Å; L272-K303 WeakPolarHBondContact O-CD 3.47Å; L272-K303 PolarHBondContact O-NZ 3.4Å; L272-L304 HydrophobicContact CD2-CB 4.31Å
273Q92.4Very high90.4Very high49 Ų4958.5 Ų58.523%0.22927%0.273CS..Hα-helixtrans-72.7-42.1-177.3-176.259.841.900111.9Y269 A270 L300Y269-Q273 HydrophobicContact CE1-CB 4.39Å; Y269-Q273 VanDerWaalsContact O-CB 3.3Å; Y269-Q273 WeakPolarHBondContact O-CB 3.45Å; Y269-Q273 PolarHBondContact O-N 3Å; A270-Q273 PolarHBondContact O-N 3.46Å; Q273-L300 HydrophobicContact CB-CD2 4.42Å
274Q89.6Confident89.8Confident141 Ų14161.1 Ų61.166%0.65929%0.285SS*.Hα-helixtrans-77.9-23.4-172.9-67.1-177.7-1.800114.4A270 Q276A270-Q274 WeakPolarHBondContact O-CB 3.28Å; A270-Q274 WeakPolarHBondContact O-CG 3.47Å; A270-Q274 PolarHBondContact O-N 3.01Å; Q274-Q276 PolarHBondContact O-N 3.37Å
275Q89.3Confident89.1Confident44 Ų4461.2 Ų61.221%0.20629%0.286CS..SBendtrans-75115.8175.9-75.7-164.8-10.300111.3F235 Y236 Q271 K303F235-Q275 VanDerWaalsContact CE1-OE1 3.31Å; Y236-Q275 HydrophobicContact CD2-CG 4.21Å; Y236-Q275 HydrophobicContact CE2-CG 4.32Å; Y236-Q275 VanDerWaalsContact CE2-NE2 3.31Å; Y236-Q275 PolarHBondContact O-NE2 3.01Å; Q271-Q275 WeakPolarHBondContact O-CG 3.32Å; Q275-K303 WeakPolarHBondContact O-CE 3.4Å; Q275-K303 PolarHBondContact O-NZ 3.15Å
276Q87.3Confident88.4Confident165 Ų16566.5 Ų66.577%0.77131%0.314SS*.  trans-66.6134168.6-64.8-176.70.300110.2Q274Q274-Q276 PolarHBondContact O-N 3.37Å
277F89.9Confident88.1Confident23 Ų2364.3 Ų64.310%0.10131%0.308CS..  trans-151.4128.9179.7178.7-109.9000112F235 L243 P279 T302 K303 H306F235-F277 AromaticContact CE2-CD1 3.9Å; F235-F277 HydrophobicContact CE2-CD1 3.9Å; F235-F277 HydrophobicContact CE2-CD2 4.1Å; F235-F277 HydrophobicContact CE2-CE1 4.03Å; F235-F277 HydrophobicContact CE2-CE2 4.24Å; F235-F277 AromaticContact CE2-CG 3.93Å; F235-F277 HydrophobicContact CE2-CG 3.93Å; F235-F277 HydrophobicContact CE2-CZ 4.21Å; F235-F277 HydrophobicContact CZ-CB 3.82Å; F235-F277 AromaticContact CZ-CD1 3.91Å; F235-F277 HydrophobicContact CZ-CD1 3.91Å; F235-F277 HydrophobicContact CZ-CD2 4.02Å; F235-F277 AromaticContact CZ-CG 3.63Å; F235-F277 HydrophobicContact CZ-CG 3.63Å; L243-F277 HydrophobicContact CD2-CE2 3.89Å; L243-F277 HydrophobicContact CD2-CZ 4.1Å; F277-P279 HydrophobicContact CE1-CB 4.05Å; F277-P279 HydrophobicContact CZ-CB 4.42Å; F277-T302 HydrophobicContact CD1-CG2 4.47Å; F277-T302 HydrophobicContact CE1-CG2 4.15Å; F277-K303 HydrophobicContact CB-CG 4.22Å; F277-K303 HydrophobicContact CD1-CG 4.07Å; F277-H306 AromaticContact CE1-CD2 3.97Å; F277-H306 AromaticContact CE1-CE1 3.75Å; F277-H306 AromaticContact CE1-CG 3.97Å; F277-H306 AromaticContact CE1-ND1 3.81Å; F277-H306 AromaticContact CE1-NE2 3.83Å; F277-H306 AromaticContact CZ-CD2 3.65Å; F277-H306 AromaticContact CZ-NE2 3.66Å
278T87.1Confident87.8Confident119 Ų11964.5 Ų64.573%0.7331%0.31SS*.  trans-112.7121169.9510000108.8
279P86.2Confident87.3Confident24 Ų2468.9 Ų68.916%0.15634%0.338CS..  trans-67.1154.6178.328.2-34.5000112.1F277 F285 L287 T302F277-P279 HydrophobicContact CE1-CB 4.05Å; F277-P279 HydrophobicContact CZ-CB 4.42Å; P279-F285 HydrophobicContact CB-CB 4.07Å; P279-F285 HydrophobicContact CG-CB 4.16Å; P279-F285 WeakPolarHBondContact CG-O 3.03Å; P279-L287 HydrophobicContact CG-CD1 4.49Å; P279-L287 HydrophobicContact CG-CG 4.3Å; P279-T302 HydrophobicContact CB-CG2 3.97Å; P279-T302 HydrophobicContact CG-CG2 3.93Å
280D84.8Confident86.7Confident55 Ų5575.1 Ų75.129%0.29436%0.362SS..  trans-65.2133172.2-173.2-31.7000109R247 R282 S283R247-D280 WeakPolarHBondContact CG-OD2 3.47Å; R247-D280 IonicContact CZ-OD2 2.91Å; R247-D280 IonicContact NE-OD2 3.25Å; R247-D280 PolarHBondContact NE-OD2 3.1Å; R247-D280 IonicContact NH2-OD2 3.71Å; D280-R282 PolarHBondContact O-N 2.92Å; D280-R282 WeakPolarHBondContact OD1-CB 3.21Å; D280-R282 WeakPolarHBondContact OD1-CG 3.42Å; D280-R282 PolarHBondContact OD1-N 3.3Å; D280-S283 VanDerWaalsContact O-CB 3.3Å; D280-S283 WeakPolarHBondContact O-CB 3.43Å; D280-S283 PolarHBondContact O-N 3Å; D280-S283 PolarHBondContact O-OG 3.47Å
281R82.1Confident86.2Confident228 Ų22878.3 Ų78.386%0.8638%0.383SS*.G310 helixtrans-53.7-26.3178.4-68.7-177.9-178.8160.50.7113S283R281-S283 PolarHBondContact O-N 2.92Å
282R83Confident85.8Confident179 Ų17981.3 Ų81.368%0.67540%0.396SS*.G310 helixtrans-70.7-11.9178.3-61.6175.4-175.7-170.43.3114R247 D280R247-R282 CarbonylContact O-C 3.59Å; D280-R282 PolarHBondContact O-N 2.92Å; D280-R282 WeakPolarHBondContact OD1-CB 3.21Å; D280-R282 WeakPolarHBondContact OD1-CG 3.42Å; D280-R282 PolarHBondContact OD1-N 3.3Å
283S78.9Confident85.5Confident3 Ų387.2 Ų87.22%0.02144%0.435CS..G310 helixtrans-87.5-7.3-176.368.40000114.9D280 R281 F285D280-S283 VanDerWaalsContact O-CB 3.3Å; D280-S283 WeakPolarHBondContact O-CB 3.43Å; D280-S283 PolarHBondContact O-N 3Å; D280-S283 PolarHBondContact O-OG 3.47Å; R281-S283 PolarHBondContact O-N 2.92Å; S283-F285 VanDerWaalsContact O-CD2 3.31Å; S283-F285 WeakPolarHBondContact O-CD2 3.49Å; S283-F285 PolarHBondContact O-N 3.34Å; S283-F285 PolarHBondContact OG-N 3.21Å
284D82.1Confident85.3Confident99 Ų9990.6 Ų90.653%0.52945%0.446SS..  trans54.314.2-171.7-46.9-45.9000115P254 R257 D286P254-D284 HydrophobicContact CB-CB 4.41Å; P254-D284 HydrophobicContact CG-CB 3.77Å; R257-D284 PolarHBondContact NH2-O 3.03Å; D284-D286 VanDerWaalsContact C-N 3.26Å; D284-D286 PolarHBondContact O-N 3.36Å; D284-D286 VanDerWaalsContact O-N 3.13Å
285F81.6Confident85.4Confident3 Ų385.7 Ų85.71%0.01342%0.421CS..  trans-83.962169.7-83.6-93.6000111.3P214 F249 P254 R257 P279 S283 L287 T302 A305P214-F285 HydrophobicContact CG-CE1 4.44Å; P214-F285 HydrophobicContact CG-CZ 3.84Å; F249-F285 HydrophobicContact CB-CE2 4.5Å; F249-F285 AromaticContact CD1-CE2 3.64Å; F249-F285 HydrophobicContact CD1-CE2 3.64Å; F249-F285 HydrophobicContact CD1-CZ 4.25Å; F249-F285 AromaticContact CD2-CD2 3.66Å; F249-F285 HydrophobicContact CD2-CD2 3.66Å; F249-F285 AromaticContact CD2-CE2 3.5Å; F249-F285 HydrophobicContact CD2-CE2 3.5Å; F249-F285 VanDerWaalsContact CD2-CE2 3.5Å; F249-F285 HydrophobicContact CE1-CD2 4.39Å; F249-F285 AromaticContact CE1-CE2 3.6Å; F249-F285 HydrophobicContact CE1-CE2 3.6Å; F249-F285 HydrophobicContact CE1-CZ 4.02Å; F249-F285 AromaticContact CE2-CD2 3.46Å; F249-F285 HydrophobicContact CE2-CD2 3.46Å; F249-F285 VanDerWaalsContact CE2-CD2 3.46Å; F249-F285 AromaticContact CE2-CE2 3.47Å; F249-F285 HydrophobicContact CE2-CE2 3.47Å; F249-F285 VanDerWaalsContact CE2-CE2 3.47Å; F249-F285 HydrophobicContact CG-CD2 4.24Å; F249-F285 AromaticContact CG-CE2 3.59Å; F249-F285 HydrophobicContact CG-CE2 3.59Å; F249-F285 AromaticContact CZ-CD2 3.86Å; F249-F285 HydrophobicContact CZ-CD2 3.86Å; F249-F285 AromaticContact CZ-CE2 3.52Å; F249-F285 HydrophobicContact CZ-CE2 3.52Å; F249-F285 HydrophobicContact CZ-CZ 4.17Å; P254-F285 HydrophobicContact CB-CD2 3.94Å; P254-F285 HydrophobicContact CB-CE2 3.68Å; P254-F285 HydrophobicContact CB-CZ 4.08Å; P254-F285 HydrophobicContact CG-CD2 4.49Å; P254-F285 HydrophobicContact CG-CE2 4.27Å; R257-F285 HydrophobicContact CG-CE1 4.34Å; P279-F285 HydrophobicContact CB-CB 4.07Å; P279-F285 HydrophobicContact CG-CB 4.16Å; P279-F285 WeakPolarHBondContact CG-O 3.03Å; S283-F285 VanDerWaalsContact O-CD2 3.31Å; S283-F285 WeakPolarHBondContact O-CD2 3.49Å; S283-F285 PolarHBondContact O-N 3.34Å; S283-F285 PolarHBondContact OG-N 3.21Å; F285-L287 PolarHBondContact O-N 3.4Å; F285-T302 HydrophobicContact CB-CG2 3.94Å; F285-T302 HydrophobicContact CD1-CG2 3.96Å; F285-T302 HydrophobicContact CG-CG2 4.2Å; F285-A305 HydrophobicContact CE1-CB 3.65Å; F285-A305 HydrophobicContact CZ-CB 3.58Å
286D80.5Confident85.5Confident117 Ų11785.7 Ų85.763%0.62642%0.421SS*.PPolyproline II helixtrans-63.9130.1173-66.9-41.9000111.2D284D284-D286 VanDerWaalsContact C-N 3.26Å; D284-D286 PolarHBondContact O-N 3.36Å; D284-D286 VanDerWaalsContact O-N 3.13Å
287L86.9Confident85.8Confident43 Ų4378 Ų7823%0.22539%0.385CS..PPolyproline II helixtrans-89.3136.1170.6-66.6177.1000109.1P279 F285 Y295 H298 T302P279-L287 HydrophobicContact CG-CD1 4.49Å; P279-L287 HydrophobicContact CG-CG 4.3Å; F285-L287 PolarHBondContact O-N 3.4Å; L287-Y295 HydrophobicContact CB-CE2 4.32Å; L287-H298 HydrophobicContact CD2-CB 4.16Å; L287-T302 WeakPolarHBondContact CD2-OG1 3.22Å
288P88.1Confident85.9Confident29 Ų2978.3 Ų78.319%0.18839%0.387CS..PPolyproline II helixtrans-67.5170.3172.730.4-34.3000111H292 Y295 H298P288-H292 HydrophobicContact CB-CB 3.91Å; P288-H292 HydrophobicContact CG-CB 4.16Å; P288-Y295 HydrophobicContact CG-CD2 4.2Å; P288-Y295 WeakPolarHBondContact O-CD2 3.36Å; P288-Y295 WeakPolarHBondContact O-CE2 3.39Å; P288-H298 HydrophobicContact CG-CB 4.04Å
289P86.3Confident86.2Confident91 Ų9173.7 Ų73.759%0.59136%0.357SS*.PPolyproline II helixtrans-54.8149170.9-25.535.4000112.3S291 H292 Y295P289-S291 PolarHBondContact O-N 3.26Å; P289-H292 WeakPolarHBondContact O-CB 3.26Å; P289-H292 PolarHBondContact O-N 2.91Å; P289-Y295 WeakPolarHBondContact O-CD2 3.38Å
290R83.9Confident86.7Confident132 Ų13272.6 Ų72.650%0.49835%0.35SS..THydrogen-bonded Turntrans-59.2-27.5-179.7-75.7-179.5171.7178.9-3.5113.7H292 Y295 E577R290-H292 PolarHBondContact O-N 3.16Å; R290-Y295 HydrophobicContact CG-CD1 4.43Å; R290-Y295 HydrophobicContact CG-CD2 4.32Å; R290-Y295 HydrophobicContact CG-CE1 3.95Å; R290-Y295 HydrophobicContact CG-CE2 3.81Å; R290-E577 WeakPolarHBondContact CD-OE1 3.35Å; R290-E577 IonicContact CZ-OE1 3.25Å; R290-E577 IonicContact NE-OE1 3.73Å; R290-E577 IonicContact NH1-OE1 2.66Å; R290-E577 PolarHBondContact NH1-OE1 2.87Å; R290-E577 IonicContact NH1-OE2 2.86Å; R290-E577 PolarHBondContact NH1-OE2 2.85Å
291S82.3Confident87.1Confident84 Ų8470 Ų7059%0.58734%0.336SS*.THydrogen-bonded Turntrans-70.5-10.2173.653.20000114.6P289P289-S291 PolarHBondContact O-N 3.26Å
292H86.8Confident87.7Confident79 Ų7959.2 Ų59.237%0.36630%0.296SS..SBendtrans-69.5129.4-179-175.4-106.4000111.2P288 P289 R290 R294 Y295P288-H292 HydrophobicContact CB-CB 3.91Å; P288-H292 HydrophobicContact CG-CB 4.16Å; P289-H292 WeakPolarHBondContact O-CB 3.26Å; P289-H292 PolarHBondContact O-N 2.91Å; R290-H292 PolarHBondContact O-N 3.16Å; H292-R294 PolarHBondContact ND1-N 3.35Å; H292-R294 PolarHBondContact O-N 3.29Å; H292-Y295 VanDerWaalsContact O-CB 3.27Å; H292-Y295 WeakPolarHBondContact O-CB 3.43Å; H292-Y295 PolarHBondContact O-N 3.02Å
293P86.7Confident88.3Confident124 Ų12450.7 Ų50.781%0.80526%0.264SS*.THydrogen-bonded Turntrans-57.6-21.5-175.3-2935.6000115.8
294R88.5Confident89.1Confident121 Ų12150.6 Ų50.646%0.45726%0.263SS..THydrogen-bonded Turntrans-104.611.7175.4-58.2-177.2175.3-170.1-5.4113.8H292 K296 A297 H298 E401H292-R294 PolarHBondContact ND1-N 3.35Å; H292-R294 PolarHBondContact O-N 3.29Å; R294-K296 VanDerWaalsContact C-N 3.3Å; R294-K296 PolarHBondContact O-N 2.98Å; R294-A297 HydrophobicContact CB-CB 4.48Å; R294-A297 WeakPolarHBondContact O-CB 3.37Å; R294-A297 PolarHBondContact O-N 2.86Å; R294-H298 PolarHBondContact O-CD2 3.36Å; R294-H298 PolarHBondContact O-N 3.15Å; R294-H298 VanDerWaalsContact O-N 3.16Å; R294-E401 IonicContact NH1-OE1 3.69Å; R294-E401 PolarHBondContact NH1-OE1 3.04Å
295Y90.4Very high89.7Confident37 Ų3745.9 Ų45.915%0.14524%0.237CC..Hα-helixtrans-48.9-50.9-176.1177.8-96.4000112.2L287 P288 P289 R290 H292 A297 H298 E299L287-Y295 HydrophobicContact CB-CE2 4.32Å; P288-Y295 HydrophobicContact CG-CD2 4.2Å; P288-Y295 WeakPolarHBondContact O-CD2 3.36Å; P288-Y295 WeakPolarHBondContact O-CE2 3.39Å; P289-Y295 WeakPolarHBondContact O-CD2 3.38Å; R290-Y295 HydrophobicContact CG-CD1 4.43Å; R290-Y295 HydrophobicContact CG-CD2 4.32Å; R290-Y295 HydrophobicContact CG-CE1 3.95Å; R290-Y295 HydrophobicContact CG-CE2 3.81Å; H292-Y295 VanDerWaalsContact O-CB 3.27Å; H292-Y295 WeakPolarHBondContact O-CB 3.43Å; H292-Y295 PolarHBondContact O-N 3.02Å; Y295-A297 VanDerWaalsContact C-N 3.28Å; Y295-A297 PolarHBondContact O-N 2.96Å; Y295-H298 WeakPolarHBondContact O-CA 3.48Å; Y295-H298 WeakPolarHBondContact O-CB 3.48Å; Y295-H298 PolarHBondContact O-N 3.18Å; Y295-E299 HydrophobicContact CE1-CB 4.3Å; Y295-E299 PolarHBondContact O-N 3.45Å
296K91.7Very high90.4Very high44 Ų4445.9 Ų45.919%0.19124%0.237CC..Hα-helixtrans-48.9-44.8174.1178.4-172.7167.6-169.50113.1Y269 R294 E299 L300 E407 D410Y269-K296 WeakPolarHBondContact OH-CE 3.35Å; Y269-K296 PolarHBondContact OH-NZ 2.87Å; R294-K296 VanDerWaalsContact C-N 3.3Å; R294-K296 PolarHBondContact O-N 2.98Å; K296-E299 PolarHBondContact O-N 2.82Å; K296-L300 HydrophobicContact CG-CD1 3.9Å; K296-L300 HydrophobicContact CG-CG 4.49Å; K296-L300 WeakPolarHBondContact O-CB 3.31Å; K296-L300 WeakPolarHBondContact O-CG 3.4Å; K296-L300 PolarHBondContact O-N 3.25Å; K296-E407 IonicContact NZ-OE2 2.64Å; K296-E407 PolarHBondContact NZ-OE2 3.32Å; K296-D410 WeakPolarHBondContact CE-OD2 3.43Å; K296-D410 IonicContact NZ-OD1 3.4Å; K296-D410 PolarHBondContact NZ-OD1 3.01Å; K296-D410 IonicContact NZ-OD2 3.31Å; K296-D410 PolarHBondContact NZ-OD2 2.7Å
297A93.4Very high91.1Very high4 Ų440.3 Ų40.33%0.03321%0.208CC..Hα-helixtrans-69.6-34.2179.700000112.9H210 F212 L259 R294 Y295 G301H210-A297 HydrophobicContact CB-CB 4.36Å; H210-A297 VanDerWaalsContact O-CA 3.23Å; H210-A297 WeakPolarHBondContact O-CA 3.31Å; H210-A297 WeakPolarHBondContact O-CB 3.39Å; F212-A297 PolarHBondContact N-O 3.39Å; L259-A297 HydrophobicContact CD1-CB 4.02Å; R294-A297 HydrophobicContact CB-CB 4.48Å; R294-A297 WeakPolarHBondContact O-CB 3.37Å; R294-A297 PolarHBondContact O-N 2.86Å; Y295-A297 VanDerWaalsContact C-N 3.28Å; Y295-A297 PolarHBondContact O-N 2.96Å; A297-G301 PolarHBondContact O-N 3.21Å
298H93Very high91.5Very high29 Ų2938.2 Ų38.213%0.13420%0.197CC..Hα-helixtrans-70.1-40.8172-75.9-94.3000111.7F212 L287 P288 R294 Y295 T302F212-H298 AromaticContact CD1-CE1 3.44Å; F212-H298 VanDerWaalsContact CD1-CE1 3.44Å; F212-H298 WeakPolarHBondContact CD1-CE1 3.33Å; F212-H298 AromaticContact CD1-ND1 3.56Å; F212-H298 AromaticContact CE1-CE1 3.78Å; F212-H298 AromaticContact CG-CE1 3.82Å; L287-H298 HydrophobicContact CD2-CB 4.16Å; P288-H298 HydrophobicContact CG-CB 4.04Å; R294-H298 PolarHBondContact O-CD2 3.36Å; R294-H298 PolarHBondContact O-N 3.15Å; R294-H298 VanDerWaalsContact O-N 3.16Å; Y295-H298 WeakPolarHBondContact O-CA 3.48Å; Y295-H298 WeakPolarHBondContact O-CB 3.48Å; Y295-H298 PolarHBondContact O-N 3.18Å; H298-T302 VanDerWaalsContact O-CB 3.27Å; H298-T302 WeakPolarHBondContact O-CB 3.3Å; H298-T302 PolarHBondContact O-N 3.12Å; H298-T302 PolarHBondContact O-OG1 3.34Å
299E94.1Very high91.8Very high23 Ų2337.1 Ų37.111%0.10719%0.189CC..Hα-helixtrans-62.9-57.1177.2-176.5-176.8-170.300111.2Y295 K296 G301 T302 K303Y295-E299 HydrophobicContact CE1-CB 4.3Å; Y295-E299 PolarHBondContact O-N 3.45Å; K296-E299 PolarHBondContact O-N 2.82Å; E299-G301 VanDerWaalsContact C-N 3.31Å; E299-G301 PolarHBondContact O-N 3.44Å; E299-T302 PolarHBondContact O-N 3.44Å; E299-K303 VanDerWaalsContact CD-NZ 3.31Å; E299-K303 HydrophobicContact CG-CD 4.31Å; E299-K303 VanDerWaalsContact CG-CE 3.44Å; E299-K303 WeakPolarHBondContact O-CG 3.48Å; E299-K303 PolarHBondContact O-N 2.78Å; E299-K303 VanDerWaalsContact OE1-CE 3.26Å; E299-K303 WeakPolarHBondContact OE1-CE 3.38Å; E299-K303 IonicContact OE1-NZ 3.58Å; E299-K303 PolarHBondContact OE1-NZ 3.26Å
300L94.8Very high92.1Very high0 Ų032.8 Ų32.80%016%0.161CC..Hα-helixtrans-58.3-42.2176.9-70.4170.7000112.1A209 Y269 L272 Q273 K296 T302 K303 L304A209-L300 HydrophobicContact CB-CD1 3.96Å; Y269-L300 HydrophobicContact CE2-CD1 3.79Å; Y269-L300 HydrophobicContact CE2-CD2 4.27Å; L272-L300 HydrophobicContact CB-CD2 4.25Å; L272-L300 HydrophobicContact CD2-CD2 3.87Å; L272-L300 HydrophobicContact CG-CD2 3.99Å; Q273-L300 HydrophobicContact CB-CD2 4.42Å; K296-L300 HydrophobicContact CG-CD1 3.9Å; K296-L300 HydrophobicContact CG-CG 4.49Å; K296-L300 WeakPolarHBondContact O-CB 3.31Å; K296-L300 WeakPolarHBondContact O-CG 3.4Å; K296-L300 PolarHBondContact O-N 3.25Å; L300-T302 PolarHBondContact O-N 2.99Å; L300-K303 PolarHBondContact O-N 3.43Å; L300-L304 VanDerWaalsContact O-CB 3.29Å; L300-L304 WeakPolarHBondContact O-CB 3.28Å; L300-L304 PolarHBondContact O-N 2.75Å
301G94.7Very high92.5Very high0 Ų027.7 Ų27.70%014%0.143CC..Hα-helixtrans-62.7-40.4177.200000113.1F212 A297 E299 A305F212-G301 WeakPolarHBondContact O-CA 3.15Å; A297-G301 PolarHBondContact O-N 3.21Å; E299-G301 VanDerWaalsContact C-N 3.31Å; E299-G301 PolarHBondContact O-N 3.44Å; G301-A305 VanDerWaalsContact O-CB 3.28Å; G301-A305 WeakPolarHBondContact O-CB 3.31Å; G301-A305 PolarHBondContact O-N 2.91Å
302T94.2Very high92.9Very high2 Ų224 Ų241%0.01212%0.118CC..Hα-helixtrans-65.6-50.1176-61.60000111.4F277 P279 F285 L287 H298 E299 L300 L304 A305 H306F277-T302 HydrophobicContact CD1-CG2 4.47Å; F277-T302 HydrophobicContact CE1-CG2 4.15Å; P279-T302 HydrophobicContact CB-CG2 3.97Å; P279-T302 HydrophobicContact CG-CG2 3.93Å; F285-T302 HydrophobicContact CB-CG2 3.94Å; F285-T302 HydrophobicContact CD1-CG2 3.96Å; F285-T302 HydrophobicContact CG-CG2 4.2Å; L287-T302 WeakPolarHBondContact CD2-OG1 3.22Å; H298-T302 VanDerWaalsContact O-CB 3.27Å; H298-T302 WeakPolarHBondContact O-CB 3.3Å; H298-T302 PolarHBondContact O-N 3.12Å; H298-T302 PolarHBondContact O-OG1 3.34Å; E299-T302 PolarHBondContact O-N 3.44Å; L300-T302 PolarHBondContact O-N 2.99Å; T302-L304 VanDerWaalsContact C-N 3.33Å; T302-L304 PolarHBondContact O-N 3.13Å; T302-A305 PolarHBondContact O-N 2.95Å; T302-H306 PolarHBondContact O-N 3.47Å; T302-H306 PolarHBondContact O-ND1 2.86Å
303K95.6Very high93.1Very high1 Ų122.9 Ų22.90%0.00412%0.119CC..Hα-helixtrans-59.5-44.3178.7-63.7174.4-174.8169.70111.3F235 L272 Q275 F277 E299 L300 H306 G307F235-K303 HydrophobicContact CD1-CB 4.12Å; F235-K303 HydrophobicContact CD2-CB 4.36Å; F235-K303 VanDerWaalsContact CD2-O 3.27Å; F235-K303 WeakPolarHBondContact CD2-O 3.31Å; F235-K303 HydrophobicContact CE1-CB 3.75Å; F235-K303 HydrophobicContact CE1-CD 4.02Å; F235-K303 HydrophobicContact CE1-CG 3.82Å; F235-K303 HydrophobicContact CE2-CB 4.01Å; F235-K303 HydrophobicContact CE2-CG 4.18Å; F235-K303 HydrophobicContact CG-CB 4.41Å; F235-K303 WeakPolarHBondContact CG-O 3.31Å; F235-K303 HydrophobicContact CZ-CB 3.7Å; F235-K303 HydrophobicContact CZ-CD 4.16Å; F235-K303 HydrophobicContact CZ-CG 3.55Å; L272-K303 HydrophobicContact CD1-CB 3.5Å; L272-K303 HydrophobicContact CD1-CD 4.27Å; L272-K303 HydrophobicContact CG-CB 4Å; L272-K303 HydrophobicContact CG-CD 4.21Å; L272-K303 WeakPolarHBondContact O-CD 3.47Å; L272-K303 PolarHBondContact O-NZ 3.4Å; Q275-K303 WeakPolarHBondContact O-CE 3.4Å; Q275-K303 PolarHBondContact O-NZ 3.15Å; F277-K303 HydrophobicContact CB-CG 4.22Å; F277-K303 HydrophobicContact CD1-CG 4.07Å; E299-K303 VanDerWaalsContact CD-NZ 3.31Å; E299-K303 HydrophobicContact CG-CD 4.31Å; E299-K303 VanDerWaalsContact CG-CE 3.44Å; E299-K303 WeakPolarHBondContact O-CG 3.48Å; E299-K303 PolarHBondContact O-N 2.78Å; E299-K303 VanDerWaalsContact OE1-CE 3.26Å; E299-K303 WeakPolarHBondContact OE1-CE 3.38Å; E299-K303 IonicContact OE1-NZ 3.58Å; E299-K303 PolarHBondContact OE1-NZ 3.26Å; L300-K303 PolarHBondContact O-N 3.43Å; K303-H306 PolarHBondContact O-N 3.39Å; K303-G307 PolarHBondContact O-N 3.02Å; K303-G307 VanDerWaalsContact O-N 3.1Å
304L95.9Very high93Very high0 Ų023.1 Ų23.10%011%0.107CC..Hα-helixtrans-65.6-42.2178.1-170.458.7000112.1I213 L221 V228 A231 V232 V262 F264 L272 L300 T302 H306 G307 F308I213-L304 HydrophobicContact CG2-CD2 4.26Å; L221-L304 HydrophobicContact CD1-CD2 4.16Å; V228-L304 HydrophobicContact CG2-CD1 4.08Å; V228-L304 HydrophobicContact CG2-CD2 4.46Å; A231-L304 HydrophobicContact CB-CD1 4.14Å; V232-L304 HydrophobicContact CG2-CD1 3.98Å; V262-L304 HydrophobicContact CG1-CD2 4.1Å; V262-L304 HydrophobicContact CG2-CD2 4.24Å; F264-L304 HydrophobicContact CE1-CD1 4.47Å; F264-L304 HydrophobicContact CE1-CD2 4.31Å; F264-L304 HydrophobicContact CZ-CD2 4.11Å; L272-L304 HydrophobicContact CD2-CB 4.31Å; L300-L304 VanDerWaalsContact O-CB 3.29Å; L300-L304 WeakPolarHBondContact O-CB 3.28Å; L300-L304 PolarHBondContact O-N 2.75Å; T302-L304 VanDerWaalsContact C-N 3.33Å; T302-L304 PolarHBondContact O-N 3.13Å; L304-H306 VanDerWaalsContact C-N 3.34Å; L304-H306 PolarHBondContact O-N 3.29Å; L304-G307 PolarHBondContact O-N 3.37Å; L304-F308 HydrophobicContact CD1-CD2 4.04Å; L304-F308 HydrophobicContact CD1-CE2 3.81Å; L304-F308 HydrophobicContact CG-CD2 4.02Å; L304-F308 HydrophobicContact CG-CE2 4Å; L304-F308 WeakPolarHBondContact O-CD2 3.47Å; L304-F308 PolarHBondContact O-N 2.62Å
305A95.1Very high92.8Very high0 Ų018.3 Ų18.30%09%0.092CC..Hα-helixtrans-60.5-41.7176.300000112.4P214 F249 F285 G301 T302 F308 E309P214-A305 HydrophobicContact CG-CB 4.11Å; F249-A305 HydrophobicContact CE1-CB 4.22Å; F285-A305 HydrophobicContact CE1-CB 3.65Å; F285-A305 HydrophobicContact CZ-CB 3.58Å; G301-A305 VanDerWaalsContact O-CB 3.28Å; G301-A305 WeakPolarHBondContact O-CB 3.31Å; G301-A305 PolarHBondContact O-N 2.91Å; T302-A305 PolarHBondContact O-N 2.95Å; A305-F308 PolarHBondContact O-N 2.92Å; A305-E309 PolarHBondContact O-N 2.96Å
306H94.6Very high92Very high3 Ų326.3 Ų26.31%0.01412%0.122CC..Hα-helixtrans-59.3-47.7173-76.171.7000111.1F235 F249 F277 T302 K303 L304 F308 E309 I310F235-H306 HydrophobicContact CD2-CB 3.81Å; F235-H306 HydrophobicContact CE2-CB 4.16Å; F249-H306 AromaticContact CE2-CE1 3.69Å; F249-H306 AromaticContact CE2-NE2 3.71Å; F249-H306 HydrophobicContact CZ-CB 4.48Å; F249-H306 AromaticContact CZ-CD2 3.92Å; F249-H306 AromaticContact CZ-CE1 3.58Å; F249-H306 AromaticContact CZ-CG 3.79Å; F249-H306 AromaticContact CZ-ND1 3.59Å; F249-H306 AromaticContact CZ-NE2 3.82Å; F277-H306 AromaticContact CE1-CD2 3.97Å; F277-H306 AromaticContact CE1-CE1 3.75Å; F277-H306 AromaticContact CE1-CG 3.97Å; F277-H306 AromaticContact CE1-ND1 3.81Å; F277-H306 AromaticContact CE1-NE2 3.83Å; F277-H306 AromaticContact CZ-CD2 3.65Å; F277-H306 AromaticContact CZ-NE2 3.66Å; T302-H306 PolarHBondContact O-N 3.47Å; T302-H306 PolarHBondContact O-ND1 2.86Å; K303-H306 PolarHBondContact O-N 3.39Å; L304-H306 VanDerWaalsContact C-N 3.34Å; L304-H306 PolarHBondContact O-N 3.29Å; H306-F308 VanDerWaalsContact C-N 3.31Å; H306-F308 PolarHBondContact O-N 2.87Å; H306-E309 PolarHBondContact O-N 2.98Å; H306-E309 VanDerWaalsContact O-N 3.16Å; H306-I310 VanDerWaalsContact O-CG1 3.22Å; H306-I310 WeakPolarHBondContact O-CG1 3.47Å; H306-I310 PolarHBondContact O-N 3.06Å
307G95.3Very high90.6Very high0 Ų030.7 Ų30.70%015%0.147CC..Hα-helixtrans-55-42.8176.100000114.1A231 K303 L304 L311A231-G307 WeakPolarHBondContact O-CA 3.45Å; K303-G307 PolarHBondContact O-N 3.02Å; K303-G307 VanDerWaalsContact O-N 3.1Å; L304-G307 PolarHBondContact O-N 3.37Å; G307-L311 WeakPolarHBondContact O-CG 3.5Å; G307-L311 PolarHBondContact O-N 3.42Å; G307-L311 VanDerWaalsContact O-N 3.16Å
308F95.4Very high88.8Confident0 Ų033.2 Ų33.20%016%0.163CC..Hα-helixtrans-66.8-41.7175.2-89.2-83.3000113.2V217 V220 L221 L227 A231 F252 L304 A305 H306 L311 C312 I383V217-F308 HydrophobicContact CG1-CD1 4.37Å; V217-F308 HydrophobicContact CG1-CD2 3.44Å; V217-F308 VanDerWaalsContact CG1-CD2 3.44Å; V217-F308 HydrophobicContact CG1-CE1 4.42Å; V217-F308 HydrophobicContact CG1-CE2 3.49Å; V217-F308 VanDerWaalsContact CG1-CE2 3.49Å; V217-F308 HydrophobicContact CG1-CG 3.93Å; V217-F308 HydrophobicContact CG1-CZ 4.02Å; V217-F308 HydrophobicContact CG2-CB 4.04Å; V217-F308 HydrophobicContact CG2-CD2 4.25Å; V217-F308 HydrophobicContact CG2-CG 4.04Å; V220-F308 HydrophobicContact CG1-CE1 4.03Å; L221-F308 HydrophobicContact CD1-CE2 4.26Å; L221-F308 HydrophobicContact CD1-CZ 4.4Å; L221-F308 HydrophobicContact CD2-CE2 4.29Å; L221-F308 HydrophobicContact CD2-CZ 3.79Å; L221-F308 HydrophobicContact CG-CE2 4.36Å; L221-F308 HydrophobicContact CG-CZ 4Å; L227-F308 HydrophobicContact CB-CE1 4.48Å; L227-F308 HydrophobicContact CB-CZ 4.47Å; A231-F308 HydrophobicContact CB-CD1 4.35Å; A231-F308 HydrophobicContact CB-CD2 3.46Å; A231-F308 VanDerWaalsContact CB-CD2 3.46Å; A231-F308 HydrophobicContact CB-CE1 4.27Å; A231-F308 HydrophobicContact CB-CE2 3.36Å; A231-F308 HydrophobicContact CB-CG 3.97Å; A231-F308 HydrophobicContact CB-CZ 3.79Å; F252-F308 HydrophobicContact CD2-CB 4.05Å; F252-F308 HydrophobicContact CE2-CB 3.69Å; F252-F308 HydrophobicContact CE2-CD1 4.45Å; F252-F308 HydrophobicContact CZ-CB 4.15Å; F252-F308 HydrophobicContact CZ-CD1 4.17Å; L304-F308 HydrophobicContact CD1-CD2 4.04Å; L304-F308 HydrophobicContact CD1-CE2 3.81Å; L304-F308 HydrophobicContact CG-CD2 4.02Å; L304-F308 HydrophobicContact CG-CE2 4Å; L304-F308 WeakPolarHBondContact O-CD2 3.47Å; L304-F308 PolarHBondContact O-N 2.62Å; A305-F308 PolarHBondContact O-N 2.92Å; H306-F308 VanDerWaalsContact C-N 3.31Å; H306-F308 PolarHBondContact O-N 2.87Å; F308-L311 PolarHBondContact O-N 2.96Å; F308-C312 PolarHBondContact O-N 3.15Å; F308-C312 VanDerWaalsContact O-N 3.12Å; F308-I383 HydrophobicContact CD1-CD1 3.64Å; F308-I383 HydrophobicContact CD1-CG1 4.25Å; F308-I383 HydrophobicContact CD1-CG2 4.24Å; F308-I383 HydrophobicContact CE1-CD1 3.64Å; F308-I383 HydrophobicContact CE1-CG1 4.03Å
309E94.2Very high86.7Confident5 Ų536 Ų362%0.02319%0.186CC..Hα-helixtrans-67.7-35.3176.9-167.172.6-144.700111.9F249 K250 T251 F252 A305 H306 C312 S313F249-E309 HydrophobicContact CD1-CB 3.97Å; F249-E309 HydrophobicContact CD1-CG 3.91Å; F249-E309 HydrophobicContact CE1-CB 3.66Å; F249-E309 HydrophobicContact CE1-CG 4.06Å; F249-E309 HydrophobicContact CZ-CB 4.42Å; K250-E309 PolarHBondContact N-OE1 2.92Å; K250-E309 VanDerWaalsContact N-OE1 3.13Å; T251-E309 WeakPolarHBondContact CA-OE2 3.45Å; T251-E309 WeakPolarHBondContact CB-OE1 3.44Å; T251-E309 VanDerWaalsContact CB-OE2 3.27Å; T251-E309 WeakPolarHBondContact CB-OE2 3.43Å; T251-E309 PolarHBondContact N-OE1 3.3Å; T251-E309 PolarHBondContact N-OE2 3.48Å; T251-E309 VanDerWaalsContact N-OE2 3.13Å; T251-E309 PolarHBondContact OG1-OE1 2.66Å; F252-E309 HydrophobicContact CD2-CB 4.47Å; F252-E309 WeakPolarHBondContact CD2-OE2 3.36Å; F252-E309 PolarHBondContact N-OE2 3.32Å; A305-E309 PolarHBondContact O-N 2.96Å; H306-E309 PolarHBondContact O-N 2.98Å; H306-E309 VanDerWaalsContact O-N 3.16Å; E309-C312 PolarHBondContact O-N 2.9Å; E309-S313 WeakPolarHBondContact O-CB 3.35Å; E309-S313 PolarHBondContact O-N 2.76Å; E309-S313 PolarHBondContact O-OG 3.25Å
310I93.1Very high84.4Confident0 Ų041.2 Ų41.20%023%0.225CC..Hα-helixtrans-62.7-44.2173.5-65.3165.7000111.2A234 R238 D242 C246 H306 C312 S313 K314A234-I310 HydrophobicContact CB-CB 4.39Å; A234-I310 HydrophobicContact CB-CG2 4.1Å; R238-I310 HydrophobicContact CB-CD1 3.93Å; D242-I310 HydrophobicContact CB-CD1 3.95Å; D242-I310 HydrophobicContact CB-CG1 3.92Å; D242-I310 HydrophobicContact CB-CG2 3.91Å; C246-I310 VanDerWaalsContact SG-CG1 3.53Å; H306-I310 VanDerWaalsContact O-CG1 3.22Å; H306-I310 WeakPolarHBondContact O-CG1 3.47Å; H306-I310 PolarHBondContact O-N 3.06Å; I310-C312 PolarHBondContact O-N 3.46Å; I310-S313 PolarHBondContact O-N 3.31Å; I310-S313 PolarHBondContact O-OG 3.33Å; I310-S313 VanDerWaalsContact O-OG 3.06Å; I310-K314 HydrophobicContact CG2-CD 4.34Å; I310-K314 WeakPolarHBondContact O-CG 3.4Å; I310-K314 PolarHBondContact O-N 3.45Å
311L92.8Very high81.9Confident25 Ų2549.2 Ų49.213%0.13126%0.262CS..Hα-helixtrans-61.3-44.8175.8-73.8-179.8000111.9P230 A231 A234 G307 F308 S315 A379 I383P230-L311 HydrophobicContact CB-CD1 4.09Å; P230-L311 HydrophobicContact CB-CD2 4.45Å; P230-L311 HydrophobicContact CG-CD1 4.37Å; A231-L311 HydrophobicContact CB-CD1 4.03Å; A234-L311 HydrophobicContact CB-CD2 3.78Å; A234-L311 HydrophobicContact CB-CG 3.88Å; G307-L311 WeakPolarHBondContact O-CG 3.5Å; G307-L311 PolarHBondContact O-N 3.42Å; G307-L311 VanDerWaalsContact O-N 3.16Å; F308-L311 PolarHBondContact O-N 2.96Å; L311-S315 WeakPolarHBondContact O-CB 3.28Å; L311-S315 PolarHBondContact O-N 2.92Å; L311-S315 PolarHBondContact O-OG 2.68Å; L311-A379 HydrophobicContact CD1-CB 4.33Å; L311-I383 HydrophobicContact CB-CD1 4.17Å; L311-I383 HydrophobicContact CD1-CD1 3.56Å
312C91.2Very high79.4Confident7 Ų753.6 Ų53.65%0.04730%0.299CS..Hα-helixtrans-71.7-33.6-178.8-71.10000112.9T251 F252 F308 E309 I310 S315 I383 L384T251-C312 HydrophobicContact CG2-CB 3.84Å; F252-C312 HydrophobicContact CE2-CB 4.47Å; F308-C312 PolarHBondContact O-N 3.15Å; F308-C312 VanDerWaalsContact O-N 3.12Å; E309-C312 PolarHBondContact O-N 2.9Å; I310-C312 PolarHBondContact O-N 3.46Å; C312-S315 WeakPolarHBondContact O-CB 3.33Å; C312-S315 PolarHBondContact O-N 3.02Å; C312-S315 VanDerWaalsContact O-N 3.15Å; C312-I383 WeakPolarHBondContact SG-CG2 3.39Å; C312-L384 HydrophobicContact CB-CD2 4.27Å; C312-L384 HydrophobicContact CB-CG 4.47Å
313S89.5Confident77.5Confident56 Ų5656.9 Ų56.939%0.39232%0.316SS..Hα-helixtrans-69.3-32.5177.8730000113.3E309 I310 S315E309-S313 WeakPolarHBondContact O-CB 3.35Å; E309-S313 PolarHBondContact O-N 2.76Å; E309-S313 PolarHBondContact O-OG 3.25Å; I310-S313 PolarHBondContact O-N 3.31Å; I310-S313 PolarHBondContact O-OG 3.33Å; I310-S313 VanDerWaalsContact O-OG 3.06Å; S313-S315 PolarHBondContact O-N 2.77Å
314K85.6Confident75.7Confident128 Ų12861.9 Ų61.956%0.55735%0.347SS*.THydrogen-bonded Turntrans-74.4-12.9171.8-69.3179-178.5174.60113.6D242 I310D242-K314 WeakPolarHBondContact OD1-CE 3.49Å; D242-K314 IonicContact OD1-NZ 2.7Å; D242-K314 PolarHBondContact OD1-NZ 3.21Å; D242-K314 IonicContact OD2-NZ 3.38Å; D242-K314 PolarHBondContact OD2-NZ 3.48Å; I310-K314 HydrophobicContact CG2-CD 4.34Å; I310-K314 WeakPolarHBondContact O-CG 3.4Å; I310-K314 PolarHBondContact O-N 3.45Å
315S83.4Confident74.1Confident21 Ų2165.8 Ų65.815%0.14737%0.372CS..SBendtrans-96.2151.1-172.2-65.50000112.5L311 C312 S313 G380 E381L311-S315 WeakPolarHBondContact O-CB 3.28Å; L311-S315 PolarHBondContact O-N 2.92Å; L311-S315 PolarHBondContact O-OG 2.68Å; C312-S315 WeakPolarHBondContact O-CB 3.33Å; C312-S315 PolarHBondContact O-N 3.02Å; C312-S315 VanDerWaalsContact O-N 3.15Å; S313-S315 PolarHBondContact O-N 2.77Å; S315-G380 WeakPolarHBondContact OG-CA 3.47Å; S315-E381 PolarHBondContact OG-N 3.35Å
316R73.5Confident72.8Confident205 Ų20566.4 Ų66.477%0.77438%0.376SS*.PPolyproline II helixtrans-86.5145.9172.3-64.2-178.8-178.4-171.10.5109.1
317L63Low71.3Confident136 Ų13669.8 Ų69.871%0.71240%0.4SS*.PPolyproline II helixtrans-56.2134.3167.8-79.1164.1000108.9S319L317-S319 PolarHBondContact O-N 2.86Å
318P56.2Low69.7Low56 Ų5674.3 Ų74.336%0.36443%0.431SS..PPolyproline II helixtrans-58.7129-176.622-32.2000110.1
319S48.8Very low68.6Low89 Ų8976.3 Ų76.362%0.62244%0.441SS*.PPolyproline II helixtrans-59.5143.2166.450.60000108.6L317 E321L317-S319 PolarHBondContact O-N 2.86Å; S319-E321 PolarHBondContact O-N 3.4Å
320S44.9Very low67.8Low132 Ų13280.9 Ų80.992%0.92347%0.471SS*.SBendtrans-74.643.8-179.6-178.60000112.6
321E42.7Very low67.1Low167 Ų16783.3 Ų83.378%0.7848%0.482SS*.  trans-84.8121.2166-64.3-163.3164.900108.4S319 D323S319-E321 PolarHBondContact O-N 3.4Å; E321-D323 PolarHBondContact O-N 3.36Å; E321-D323 VanDerWaalsContact O-N 3.07Å
322A43.1Very low66.7Low93 Ų9382.8 Ų82.877%0.76948%0.479SS*.  trans-67.9109.9-18000000109.8T324A322-T324 PolarHBondContact O-N 3.15Å
323D53.7Low66.4Low70 Ų7088.8 Ų88.837%0.37450%0.504SS..  trans-45.8110.3175.4-173.8-6000110.5E321 P325 K367 Q385E321-D323 PolarHBondContact O-N 3.36Å; E321-D323 VanDerWaalsContact O-N 3.07Å; D323-P325 WeakPolarHBondContact O-CD 3.38Å; D323-K367 IonicContact OD1-NZ 2.88Å; D323-K367 PolarHBondContact OD1-NZ 3.06Å; D323-K367 IonicContact OD2-NZ 3.73Å; D323-K367 PolarHBondContact OD2-NZ 3.43Å; D323-Q385 PolarHBondContact OD2-NE2 3.02Å
324T58.1Low66.1Low107 Ų10790.1 Ų90.166%0.65651%0.507SS*.  trans-65.7125.8-170.753.80000109.6A322 V326A322-T324 PolarHBondContact O-N 3.15Å; T324-V326 PolarHBondContact O-N 2.91Å
325P62.1Low66.1Low81 Ų8184.2 Ų84.253%0.52648%0.481SS..  trans-52.8135.3-177.3-29.135.3000112.2D323 S327 C328D323-P325 WeakPolarHBondContact O-CD 3.38Å; P325-S327 WeakPolarHBondContact CB-OG 3.46Å; P325-S327 PolarHBondContact O-N 2.88Å; P325-C328 VanDerWaalsContact O-CB 3.28Å; P325-C328 WeakPolarHBondContact O-CB 3.17Å; P325-C328 PolarHBondContact O-N 3.29Å
326V68Low66.2Low13 Ų1384.9 Ų84.98%0.07948%0.483CS..G310 helixtrans-55.7-30.2-178.5-175.70000111.6T324 C328 N329 W332 E363 F366 K367T324-V326 PolarHBondContact O-N 2.91Å; V326-C328 PolarHBondContact O-N 3.47Å; V326-C328 VanDerWaalsContact O-N 3.13Å; V326-N329 WeakPolarHBondContact O-CB 3.27Å; V326-N329 PolarHBondContact O-N 3.37Å; V326-W332 HydrophobicContact CG1-CB 4.09Å; V326-W332 HydrophobicContact CG1-CD2 3.62Å; V326-W332 HydrophobicContact CG1-CE3 3.69Å; V326-W332 HydrophobicContact CG1-CG 3.8Å; V326-W332 HydrophobicContact CG1-CZ3 4.35Å; V326-W332 WeakPolarHBondContact O-CB 3.5Å; V326-E363 HydrophobicContact CB-CG 4.44Å; V326-E363 HydrophobicContact CG2-CB 4.29Å; V326-F366 HydrophobicContact CG1-CD1 3.36Å; V326-F366 HydrophobicContact CG1-CE1 3.68Å; V326-F366 HydrophobicContact CG1-CG 4.25Å; V326-K367 HydrophobicContact CG2-CD 4.16Å; V326-K367 HydrophobicContact CG2-CG 3.81Å
327S63.9Low66.8Low74 Ų7481.7 Ų81.752%0.51748%0.477SS..G310 helixtrans-57.2-19.9173.158.10000115.6P325P325-S327 WeakPolarHBondContact CB-OG 3.46Å; P325-S327 PolarHBondContact O-N 2.88Å
328C59.7Low67.8Low96 Ų9676.3 Ų76.365%0.64945%0.451SS*.G310 helixtrans-80.5-17.9174.6-64.40000113.2P325 V326P325-C328 VanDerWaalsContact O-CB 3.28Å; P325-C328 WeakPolarHBondContact O-CB 3.17Å; P325-C328 PolarHBondContact O-N 3.29Å; V326-C328 PolarHBondContact O-N 3.47Å; V326-C328 VanDerWaalsContact O-N 3.13Å
329N73.8Confident69.3Low41 Ų4173.7 Ų73.722%0.21943%0.434CS..SBendtrans-78.5124.8177.6-173.1-32.7000110.1V326 Q331 W332 F366V326-N329 WeakPolarHBondContact O-CB 3.27Å; V326-N329 PolarHBondContact O-N 3.37Å; N329-Q331 VanDerWaalsContact C-N 3.26Å; N329-Q331 PolarHBondContact O-N 3.25Å; N329-Q331 WeakPolarHBondContact OD1-CB 3.19Å; N329-Q331 PolarHBondContact OD1-N 3.09Å; N329-W332 HydrophobicContact CB-CB 4.43Å; N329-W332 WeakPolarHBondContact O-CB 3.29Å; N329-W332 PolarHBondContact O-N 3.4Å; N329-W332 VanDerWaalsContact O-N 3.16Å; N329-F366 HydrophobicContact CB-CE1 4.1Å; N329-F366 HydrophobicContact CB-CZ 4.29Å
330P76.8Confident71.1Confident101 Ų10174.3 Ų74.366%0.65643%0.425SS*.Hα-helixtrans-61.4-31.8179.324.8-34.4000113.4W332 K333P330-W332 VanDerWaalsContact C-N 3.26Å; P330-W332 PolarHBondContact O-N 3.43Å; P330-K333 PolarHBondContact O-N 3.39Å
331Q77.4Confident73Confident51 Ų5175.6 Ų75.624%0.23841%0.414CS..Hα-helixtrans-69.7-22.4179.4-58.7-175.8-101.200112.4E40 N329 K333 N334 F335 F366E40-Q331 PolarHBondContact OE1-NE2 3.47Å; N329-Q331 VanDerWaalsContact C-N 3.26Å; N329-Q331 PolarHBondContact O-N 3.25Å; N329-Q331 WeakPolarHBondContact OD1-CB 3.19Å; N329-Q331 PolarHBondContact OD1-N 3.09Å; Q331-K333 VanDerWaalsContact C-N 3.28Å; Q331-K333 PolarHBondContact O-N 3.43Å; Q331-N334 PolarHBondContact O-N 2.92Å; Q331-F335 WeakPolarHBondContact O-CB 3.35Å; Q331-F335 PolarHBondContact O-N 3.31Å; Q331-F366 HydrophobicContact CB-CE2 4.14Å; Q331-F366 HydrophobicContact CB-CZ 3.95Å
332W84.9Confident74.9Confident14 Ų1470.4 Ų70.45%0.05339%0.392CS..Hα-helixtrans-62.1-35.2178.3173.9-117.2000112.4V326 N329 P330 F335 L336 L359 A362 E363 F366V326-W332 HydrophobicContact CG1-CB 4.09Å; V326-W332 HydrophobicContact CG1-CD2 3.62Å; V326-W332 HydrophobicContact CG1-CE3 3.69Å; V326-W332 HydrophobicContact CG1-CG 3.8Å; V326-W332 HydrophobicContact CG1-CZ3 4.35Å; V326-W332 WeakPolarHBondContact O-CB 3.5Å; N329-W332 HydrophobicContact CB-CB 4.43Å; N329-W332 WeakPolarHBondContact O-CB 3.29Å; N329-W332 PolarHBondContact O-N 3.4Å; N329-W332 VanDerWaalsContact O-N 3.16Å; P330-W332 VanDerWaalsContact C-N 3.26Å; P330-W332 PolarHBondContact O-N 3.43Å; W332-F335 AromaticContact CE3-CD1 3.85Å; W332-F335 HydrophobicContact CE3-CD1 3.85Å; W332-F335 AromaticContact CZ3-CD1 3.64Å; W332-F335 HydrophobicContact CZ3-CD1 3.64Å; W332-F335 HydrophobicContact CZ3-CE1 4.02Å; W332-F335 PolarHBondContact O-N 3.16Å; W332-L336 HydrophobicContact CZ2-CD1 4.24Å; W332-L336 VanDerWaalsContact O-CB 3.23Å; W332-L336 WeakPolarHBondContact O-CB 3.34Å; W332-L336 PolarHBondContact O-N 3.16Å; W332-L359 HydrophobicContact CH2-CD1 4.4Å; W332-L359 HydrophobicContact CZ2-CD1 3.94Å; W332-A362 HydrophobicContact CH2-CB 4.06Å; W332-E363 HydrophobicContact CH2-CB 4.15Å; W332-E363 HydrophobicContact CH2-CG 3.38Å; W332-E363 HydrophobicContact CZ2-CG 3.37Å; W332-E363 HydrophobicContact CZ3-CG 4.19Å; W332-F366 HydrophobicContact CB-CE1 4.1Å; W332-F366 HydrophobicContact CB-CE2 4.34Å; W332-F366 HydrophobicContact CB-CZ 3.91Å; W332-F366 HydrophobicContact CE3-CB 3.78Å; W332-F366 AromaticContact CE3-CD1 3.92Å; W332-F366 HydrophobicContact CE3-CD1 3.92Å; W332-F366 AromaticContact CE3-CD2 3.78Å; W332-F366 HydrophobicContact CE3-CD2 3.78Å; W332-F366 HydrophobicContact CE3-CE1 4.42Å; W332-F366 HydrophobicContact CE3-CE2 4.31Å; W332-F366 AromaticContact CE3-CG 3.55Å; W332-F366 HydrophobicContact CE3-CG 3.55Å; W332-F366 HydrophobicContact CZ3-CB 3.64Å; W332-F366 HydrophobicContact CZ3-CD2 4.37Å; W332-F366 AromaticContact CZ3-CG 3.98Å; W332-F366 HydrophobicContact CZ3-CG 3.98Å
333K84.9Confident76.7Confident134 Ų13467.8 Ų67.858%0.58337%0.374SS*.Hα-helixtrans-65.2-49.7179.5-66.1-178.1-179.2176.80111.4P330 Q331 F335 L336 E337P330-K333 PolarHBondContact O-N 3.39Å; Q331-K333 VanDerWaalsContact C-N 3.28Å; Q331-K333 PolarHBondContact O-N 3.43Å; K333-F335 VanDerWaalsContact C-N 3.31Å; K333-F335 PolarHBondContact O-N 2.9Å; K333-L336 PolarHBondContact O-N 3.33Å; K333-E337 WeakPolarHBondContact O-CG 3.45Å; K333-E337 PolarHBondContact O-N 3.24Å
334N83.4Confident78.2Confident83 Ų8364.9 Ų64.944%0.44436%0.358SS..Hα-helixtrans-59.1-43.8176.5-62.62.6000111.4Q331 S338Q331-N334 PolarHBondContact O-N 2.92Å; N334-S338 WeakPolarHBondContact O-CB 3.27Å; N334-S338 PolarHBondContact O-N 3.28Å; N334-S338 PolarHBondContact O-OG 3.02Å
335F84.9Confident79.5Confident4 Ų460.4 Ų60.42%0.01833%0.329CS..Hα-helixtrans-63.8-46.5178.1-176.1-108.7000111.8A44 A47 Q331 W332 K333 S338 L339 F365 F366 V370A44-F335 HydrophobicContact CB-CD2 3.99Å; A44-F335 HydrophobicContact CB-CE2 3.91Å; A47-F335 HydrophobicContact CB-CZ 4.33Å; Q331-F335 WeakPolarHBondContact O-CB 3.35Å; Q331-F335 PolarHBondContact O-N 3.31Å; W332-F335 AromaticContact CE3-CD1 3.85Å; W332-F335 HydrophobicContact CE3-CD1 3.85Å; W332-F335 AromaticContact CZ3-CD1 3.64Å; W332-F335 HydrophobicContact CZ3-CD1 3.64Å; W332-F335 HydrophobicContact CZ3-CE1 4.02Å; W332-F335 PolarHBondContact O-N 3.16Å; K333-F335 VanDerWaalsContact C-N 3.31Å; K333-F335 PolarHBondContact O-N 2.9Å; F335-S338 WeakPolarHBondContact O-CB 3.33Å; F335-S338 PolarHBondContact O-N 3.01Å; F335-L339 HydrophobicContact CD1-CD1 3.91Å; F335-L339 HydrophobicContact CD1-CG 4.32Å; F335-L339 HydrophobicContact CE1-CD1 3.48Å; F335-L339 VanDerWaalsContact CE1-CD1 3.48Å; F335-L339 HydrophobicContact CE1-CD2 4.42Å; F335-L339 HydrophobicContact CE1-CG 4.01Å; F335-L339 HydrophobicContact CZ-CD1 3.97Å; F335-L339 HydrophobicContact CZ-CD2 4.06Å; F335-L339 HydrophobicContact CZ-CG 4.09Å; F335-L339 WeakPolarHBondContact O-CG 3.41Å; F335-L339 PolarHBondContact O-N 3.47Å; F335-F365 HydrophobicContact CE1-CD1 4.31Å; F335-F365 HydrophobicContact CE2-CD1 4.46Å; F335-F365 HydrophobicContact CE2-CE1 4.18Å; F335-F365 AromaticContact CZ-CD1 3.63Å; F335-F365 HydrophobicContact CZ-CD1 3.63Å; F335-F365 AromaticContact CZ-CE1 3.77Å; F335-F365 HydrophobicContact CZ-CE1 3.77Å; F335-F366 HydrophobicContact CB-CD2 3.91Å; F335-F366 HydrophobicContact CB-CE2 3.97Å; F335-F366 HydrophobicContact CD1-CB 4.12Å; F335-F366 AromaticContact CD1-CD2 3.61Å; F335-F366 HydrophobicContact CD1-CD2 3.61Å; F335-F366 HydrophobicContact CD1-CE2 4.49Å; F335-F366 HydrophobicContact CD1-CG 4.26Å; F335-F366 HydrophobicContact CD2-CD2 4.48Å; F335-F366 HydrophobicContact CE1-CB 4.03Å; F335-F366 HydrophobicContact CE1-CD2 4.23Å; F335-F366 AromaticContact CG-CD2 3.75Å; F335-F366 HydrophobicContact CG-CD2 3.75Å; F335-F366 HydrophobicContact CG-CE2 4.3Å; F335-V370 HydrophobicContact CE2-CG2 4.48Å
336L86.6Confident80.4Confident36 Ų3662.6 Ų62.619%0.18833%0.327CS..Hα-helixtrans-64.4-40.9178.5-176.364.3000112.5W332 K333 S338 L339 K340 F345 L359W332-L336 HydrophobicContact CZ2-CD1 4.24Å; W332-L336 VanDerWaalsContact O-CB 3.23Å; W332-L336 WeakPolarHBondContact O-CB 3.34Å; W332-L336 PolarHBondContact O-N 3.16Å; K333-L336 PolarHBondContact O-N 3.33Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-L339 PolarHBondContact O-N 3.04Å; L336-K340 WeakPolarHBondContact O-CG 3.36Å; L336-K340 PolarHBondContact O-N 2.64Å; L336-F345 HydrophobicContact CD1-CE2 3.91Å; L336-F345 HydrophobicContact CD1-CZ 3.73Å; L336-L359 HydrophobicContact CD1-CD1 3.8Å
337E85.8Confident80.9Confident137 Ų13765.8 Ų65.864%0.6436%0.362SS*.Hα-helixtrans-62.4-40.7172.5-74.2179.9-166.900111.5K333 K340 K341K333-E337 WeakPolarHBondContact O-CG 3.45Å; K333-E337 PolarHBondContact O-N 3.24Å; E337-K340 PolarHBondContact O-N 3.12Å; E337-K341 WeakPolarHBondContact O-CB 3.39Å; E337-K341 PolarHBondContact O-N 3.37Å
338S84.8Confident81.8Confident24 Ų2466.4 Ų66.417%0.16836%0.357CS..Hα-helixtrans-65.3-41.2175.8-58.60000112.3A44 N334 F335 L336 K340 K341 N342A44-S338 VanDerWaalsContact CB-CB 3.43Å; N334-S338 WeakPolarHBondContact O-CB 3.27Å; N334-S338 PolarHBondContact O-N 3.28Å; N334-S338 PolarHBondContact O-OG 3.02Å; F335-S338 WeakPolarHBondContact O-CB 3.33Å; F335-S338 PolarHBondContact O-N 3.01Å; L336-S338 VanDerWaalsContact C-N 3.33Å; S338-K340 PolarHBondContact O-N 3.46Å; S338-K341 PolarHBondContact O-N 3.28Å; S338-N342 WeakPolarHBondContact O-CB 3.33Å; S338-N342 VanDerWaalsContact O-CG 3.29Å; S338-N342 PolarHBondContact O-N 3.39Å; S338-N342 PolarHBondContact O-ND2 3.35Å
339L86.8Confident82.7Confident1 Ų168.5 Ų68.51%0.00536%0.361CS..Hα-helixtrans-61.5-41.5172.7-72.4179.4000112.2A47 F335 L336 N342 G343 Y344 F345 A362A47-L339 HydrophobicContact CB-CD2 3.74Å; F335-L339 HydrophobicContact CD1-CD1 3.91Å; F335-L339 HydrophobicContact CD1-CG 4.32Å; F335-L339 HydrophobicContact CE1-CD1 3.48Å; F335-L339 VanDerWaalsContact CE1-CD1 3.48Å; F335-L339 HydrophobicContact CE1-CD2 4.42Å; F335-L339 HydrophobicContact CE1-CG 4.01Å; F335-L339 HydrophobicContact CZ-CD1 3.97Å; F335-L339 HydrophobicContact CZ-CD2 4.06Å; F335-L339 HydrophobicContact CZ-CG 4.09Å; F335-L339 WeakPolarHBondContact O-CG 3.41Å; F335-L339 PolarHBondContact O-N 3.47Å; L336-L339 PolarHBondContact O-N 3.04Å; L339-N342 PolarHBondContact O-N 2.81Å; L339-G343 PolarHBondContact O-N 2.87Å; L339-Y344 HydrophobicContact CB-CD1 4.46Å; L339-Y344 HydrophobicContact CB-CG 4.44Å; L339-Y344 HydrophobicContact CD1-CD1 4.3Å; L339-Y344 HydrophobicContact CD2-CD1 4.42Å; L339-Y344 HydrophobicContact CD2-CD2 4.15Å; L339-Y344 HydrophobicContact CD2-CG 3.96Å; L339-Y344 WeakPolarHBondContact O-CB 3.36Å; L339-Y344 PolarHBondContact O-N 2.99Å; L339-Y344 VanDerWaalsContact O-N 3.07Å; L339-F345 HydrophobicContact CB-CE2 4.07Å; L339-A362 HydrophobicContact CD1-CB 3.64Å
340K86.8Confident83.1Confident101 Ų10173.3 Ų73.344%0.43938%0.382SS..Hα-helixtrans-63.4-46174.9-72.3-174.3-173.6-1670111.3L336 E337 S338 N342 G343 F345 E350L336-K340 WeakPolarHBondContact O-CG 3.36Å; L336-K340 PolarHBondContact O-N 2.64Å; E337-K340 PolarHBondContact O-N 3.12Å; S338-K340 PolarHBondContact O-N 3.46Å; K340-N342 VanDerWaalsContact C-N 3.32Å; K340-N342 PolarHBondContact O-N 3.5Å; K340-G343 PolarHBondContact O-N 3.05Å; K340-G343 VanDerWaalsContact O-N 3.17Å; K340-F345 HydrophobicContact CG-CD2 3.91Å; K340-F345 HydrophobicContact CG-CE2 3.91Å; K340-E350 IonicContact NZ-OE1 2.64Å; K340-E350 PolarHBondContact NZ-OE1 3.42Å
341K85.3Confident83.2Confident160 Ų16070.6 Ų70.670%0.69637%0.372SS*.Hα-helixtrans-59.7-39.3175.4-178.5-173.9173.8-167.40112.4E41 E337 S338 G343E41-K341 IonicContact OE1-NZ 2.64Å; E337-K341 WeakPolarHBondContact O-CB 3.39Å; E337-K341 PolarHBondContact O-N 3.37Å; S338-K341 PolarHBondContact O-N 3.28Å; K341-G343 VanDerWaalsContact C-N 3.26Å; K341-G343 PolarHBondContact O-N 3.39Å
342N81.4Confident83.6Confident58 Ų5869.9 Ų69.931%0.3137%0.373SS..THydrogen-bonded Turntrans-80.60.4179.1-70.2-23.2000114A44 K45 S338 L339 K340 Y344A44-N342 PolarHBondContact O-ND2 3.09Å; K45-N342 WeakPolarHBondContact CA-ND2 3.35Å; K45-N342 PolarHBondContact N-ND2 2.89Å; S338-N342 WeakPolarHBondContact O-CB 3.33Å; S338-N342 VanDerWaalsContact O-CG 3.29Å; S338-N342 PolarHBondContact O-N 3.39Å; S338-N342 PolarHBondContact O-ND2 3.35Å; L339-N342 PolarHBondContact O-N 2.81Å; K340-N342 VanDerWaalsContact C-N 3.32Å; K340-N342 PolarHBondContact O-N 3.5Å; N342-Y344 VanDerWaalsContact C-N 3.33Å; N342-Y344 PolarHBondContact O-N 3.37Å
343G82.6Confident83.4Confident38 Ų3873.3 Ų73.339%0.39240%0.404SS..THydrogen-bonded Turntrans76.214.3175.100000115.2L339 K340 K341 F345 R346L339-G343 PolarHBondContact O-N 2.87Å; K340-G343 PolarHBondContact O-N 3.05Å; K340-G343 VanDerWaalsContact O-N 3.17Å; K341-G343 VanDerWaalsContact C-N 3.26Å; K341-G343 PolarHBondContact O-N 3.39Å; G343-F345 PolarHBondContact O-N 3.29Å; G343-F345 VanDerWaalsContact O-N 3.14Å; G343-R346 PolarHBondContact O-N 2.93Å
344Y84.4Confident83.2Confident9 Ų971.4 Ų71.44%0.03540%0.396CS..THydrogen-bonded Turntrans-51.1-41-176.4174.7-99.6000113.2Q48 V51 L339 N342 R346 L358 A362Q48-Y344 HydrophobicContact CB-CD2 4.04Å; V51-Y344 HydrophobicContact CG2-CE2 4.44Å; L339-Y344 HydrophobicContact CB-CD1 4.46Å; L339-Y344 HydrophobicContact CB-CG 4.44Å; L339-Y344 HydrophobicContact CD1-CD1 4.3Å; L339-Y344 HydrophobicContact CD2-CD1 4.42Å; L339-Y344 HydrophobicContact CD2-CD2 4.15Å; L339-Y344 HydrophobicContact CD2-CG 3.96Å; L339-Y344 WeakPolarHBondContact O-CB 3.36Å; L339-Y344 PolarHBondContact O-N 2.99Å; L339-Y344 VanDerWaalsContact O-N 3.07Å; N342-Y344 VanDerWaalsContact C-N 3.33Å; N342-Y344 PolarHBondContact O-N 3.37Å; Y344-R346 PolarHBondContact O-N 3.34Å; Y344-L358 HydrophobicContact CE1-CB 3.85Å; Y344-L358 HydrophobicContact CE1-CD2 4.31Å; Y344-L358 WeakPolarHBondContact CE1-O 3.41Å; Y344-L358 PolarHBondContact OH-O 2.96Å; Y344-A362 HydrophobicContact CE1-CB 3.96Å
345F85.4Confident83.4Confident12 Ų1268.1 Ų68.15%0.05338%0.378CS..THydrogen-bonded Turntrans-75.92.1178.9-61.4-78000114.8L336 L339 K340 G343 G347 Q348 H355 L358 L359L336-F345 HydrophobicContact CD1-CE2 3.91Å; L336-F345 HydrophobicContact CD1-CZ 3.73Å; L339-F345 HydrophobicContact CB-CE2 4.07Å; K340-F345 HydrophobicContact CG-CD2 3.91Å; K340-F345 HydrophobicContact CG-CE2 3.91Å; G343-F345 PolarHBondContact O-N 3.29Å; G343-F345 VanDerWaalsContact O-N 3.14Å; F345-G347 PolarHBondContact O-N 3.4Å; F345-Q348 VanDerWaalsContact O-CB 3.23Å; F345-Q348 WeakPolarHBondContact O-CB 3.47Å; F345-Q348 VanDerWaalsContact O-CG 3.25Å; F345-Q348 WeakPolarHBondContact O-CG 3.16Å; F345-Q348 PolarHBondContact O-N 2.89Å; F345-H355 AromaticContact CD1-CE1 3.65Å; F345-H355 AromaticContact CD1-ND1 3.64Å; F345-H355 AromaticContact CG-CE1 3.99Å; F345-L358 HydrophobicContact CD1-CB 4.03Å; F345-L358 HydrophobicContact CD1-CD1 4.43Å; F345-L358 HydrophobicContact CE1-CB 4.18Å; F345-L359 HydrophobicContact CE1-CB 4.25Å; F345-L359 HydrophobicContact CE1-CD1 4.3Å; F345-L359 HydrophobicContact CZ-CD1 4.09Å
346R81Confident83.4Confident128 Ų12874.2 Ų74.248%0.48340%0.404SS..THydrogen-bonded Turntrans50.732175.8-50.2-174.4-170.5170.16.8115.1G343 Y344 Q348G343-R346 PolarHBondContact O-N 2.93Å; Y344-R346 PolarHBondContact O-N 3.34Å; R346-Q348 PolarHBondContact O-N 3.42Å
347G78.4Confident83.2Confident79 Ų7976.4 Ų76.481%0.81441%0.414SS*.THydrogen-bonded Turntrans70.612.6-177.400000115.3F345F345-G347 PolarHBondContact O-N 3.4Å
348Q82.6Confident83.1Confident87 Ų8771 Ų7141%0.40739%0.389SS..PPolyproline II helixtrans-70.6140.2-179.4-65.6-74.2-10.300111.8F345 R346 E350 F354 H355F345-Q348 VanDerWaalsContact O-CB 3.23Å; F345-Q348 WeakPolarHBondContact O-CB 3.47Å; F345-Q348 VanDerWaalsContact O-CG 3.25Å; F345-Q348 WeakPolarHBondContact O-CG 3.16Å; F345-Q348 PolarHBondContact O-N 2.89Å; R346-Q348 PolarHBondContact O-N 3.42Å; Q348-E350 PolarHBondContact O-N 2.95Å; Q348-F354 HydrophobicContact CG-CD1 4Å; Q348-H355 HydrophobicContact CB-CB 4.29Å; Q348-H355 PolarHBondContact O-ND1 3.36Å
349L79.5Confident83.2Confident141 Ų14172 Ų7274%0.73839%0.393SS*.PPolyproline II helixtrans-62.4134.6-178-65.2174.9000111.3G351 S352 H355L349-G351 PolarHBondContact O-N 2.64Å; L349-S352 VanDerWaalsContact O-CB 3.3Å; L349-S352 WeakPolarHBondContact O-CB 3.23Å; L349-S352 PolarHBondContact O-N 2.94Å; L349-S352 PolarHBondContact O-OG 3.25Å; L349-H355 VanDerWaalsContact O-CB 3.3Å; L349-H355 WeakPolarHBondContact O-CB 3.47Å
350E82.6Confident83.1Confident141 Ų14175.2 Ų75.266%0.65941%0.405SS*.THydrogen-bonded Turntrans-57.7128.9176.9-58.6-167.9153.900110.1K340 Q348K340-E350 IonicContact NZ-OE1 2.64Å; K340-E350 PolarHBondContact NZ-OE1 3.42Å; Q348-E350 PolarHBondContact O-N 2.95Å
351G77.5Confident82.9Confident44 Ų4471.6 Ų71.645%0.45439%0.392SS..THydrogen-bonded Turntrans84.9-5.1-176.200000116.5L349 K356L349-G351 PolarHBondContact O-N 2.64Å; G351-K356 VanDerWaalsContact O-CE 3.24Å; G351-K356 WeakPolarHBondContact O-CE 3.3Å
352S86.2Confident82.9Confident37 Ų3764 Ų6426%0.25936%0.359SS..SBendtrans-63.6155.916864.50000111.6L349 F354 H355 K356L349-S352 VanDerWaalsContact O-CB 3.3Å; L349-S352 WeakPolarHBondContact O-CB 3.23Å; L349-S352 PolarHBondContact O-N 2.94Å; L349-S352 PolarHBondContact O-OG 3.25Å; S352-F354 PolarHBondContact O-N 3.37Å; S352-H355 PolarHBondContact O-N 2.97Å; S352-H355 VanDerWaalsContact O-N 3.14Å; S352-H355 WeakPolarHBondContact OG-CB 3.45Å; S352-H355 PolarHBondContact OG-N 3.39Å; S352-K356 WeakPolarHBondContact O-CG 3.45Å; S352-K356 PolarHBondContact O-N 3.32Å
353A81.2Confident83Confident85 Ų8564.6 Ų64.670%0.70236%0.36SS*.Hα-helixtrans-57.2-46.2-176.900000112.6H355 K356 E357A353-H355 PolarHBondContact O-N 3.01Å; A353-K356 PolarHBondContact O-N 3.46Å; A353-E357 PolarHBondContact O-N 3.49Å
354F80.3Confident82.9Confident94 Ų9464.5 Ų64.541%0.41235%0.35SS..Hα-helixtrans-68.5-33177.8-165.6-96.7000112.8Q348 S352 E357 L358Q348-F354 HydrophobicContact CG-CD1 4Å; S352-F354 PolarHBondContact O-N 3.37Å; F354-E357 PolarHBondContact O-N 3.5Å; F354-L358 HydrophobicContact CD1-CD1 3.87Å; F354-L358 HydrophobicContact CD1-CG 4.19Å; F354-L358 HydrophobicContact CE1-CD1 3.62Å; F354-L358 HydrophobicContact CE1-CD2 4.45Å; F354-L358 HydrophobicContact CE1-CG 4.01Å; F354-L358 WeakPolarHBondContact O-CG 3.35Å; F354-L358 PolarHBondContact O-N 2.98Å
355H87.1Confident82.9Confident15 Ų1564.7 Ų64.77%0.06935%0.351CS..Hα-helixtrans-67.6-41172.8-179.2104.9000111.9F345 Q348 L349 S352 A353 E357 L358 L359F345-H355 AromaticContact CD1-CE1 3.65Å; F345-H355 AromaticContact CD1-ND1 3.64Å; F345-H355 AromaticContact CG-CE1 3.99Å; Q348-H355 HydrophobicContact CB-CB 4.29Å; Q348-H355 PolarHBondContact O-ND1 3.36Å; L349-H355 VanDerWaalsContact O-CB 3.3Å; L349-H355 WeakPolarHBondContact O-CB 3.47Å; S352-H355 PolarHBondContact O-N 2.97Å; S352-H355 VanDerWaalsContact O-N 3.14Å; S352-H355 WeakPolarHBondContact OG-CB 3.45Å; S352-H355 PolarHBondContact OG-N 3.39Å; A353-H355 PolarHBondContact O-N 3.01Å; H355-E357 VanDerWaalsContact C-N 3.32Å; H355-L358 PolarHBondContact O-N 2.93Å; H355-L359 WeakPolarHBondContact O-CB 3.34Å; H355-L359 PolarHBondContact O-N 3.35Å
356K84.4Confident82.8Confident131 Ų13164.1 Ų64.157%0.5735%0.348SS*.Hα-helixtrans-61.2-41.7174.6-73.5174.1174.5175.40111.6G351 S352 A353 L359 R360G351-K356 VanDerWaalsContact O-CE 3.24Å; G351-K356 WeakPolarHBondContact O-CE 3.3Å; S352-K356 WeakPolarHBondContact O-CG 3.45Å; S352-K356 PolarHBondContact O-N 3.32Å; A353-K356 PolarHBondContact O-N 3.46Å; K356-L359 PolarHBondContact O-N 2.96Å; K356-R360 WeakPolarHBondContact O-CB 3.35Å; K356-R360 PolarHBondContact O-N 2.85Å
357E83.8Confident82.7Confident83 Ų8361.9 Ų61.939%0.38834%0.342SS..Hα-helixtrans-66-47.2177.7-176.954.7-160.200112A353 F354 H355 L359 R360 C361A353-E357 PolarHBondContact O-N 3.49Å; F354-E357 PolarHBondContact O-N 3.5Å; H355-E357 VanDerWaalsContact C-N 3.32Å; E357-L359 VanDerWaalsContact C-N 3.27Å; E357-L359 PolarHBondContact O-N 3.18Å; E357-R360 WeakPolarHBondContact O-CB 3.4Å; E357-R360 PolarHBondContact O-N 3.3Å; E357-R360 IonicContact OE1-CZ 3.35Å; E357-R360 IonicContact OE1-NE 3.55Å; E357-R360 PolarHBondContact OE1-NE 2.97Å; E357-R360 IonicContact OE1-NH2 3.09Å; E357-R360 PolarHBondContact OE1-NH2 3.06Å; E357-R360 IonicContact OE2-CZ 3.38Å; E357-R360 IonicContact OE2-NE 2.96Å; E357-R360 PolarHBondContact OE2-NE 3.13Å; E357-R360 IonicContact OE2-NH2 2.7Å; E357-C361 PolarHBondContact O-N 3.12Å; E357-C361 PolarHBondContact O-SG 2.91Å; E357-C361 PolarHBondContact OE1-SG 2.97Å
358L84.1Confident82.5Confident22 Ų2261.7 Ų61.712%0.11532%0.32CS..Hα-helixtrans-59.1-38.3172.7-73.1-179.1000112.5Y344 F345 F354 H355 C361 A362Y344-L358 HydrophobicContact CE1-CB 3.85Å; Y344-L358 HydrophobicContact CE1-CD2 4.31Å; Y344-L358 WeakPolarHBondContact CE1-O 3.41Å; Y344-L358 PolarHBondContact OH-O 2.96Å; F345-L358 HydrophobicContact CD1-CB 4.03Å; F345-L358 HydrophobicContact CD1-CD1 4.43Å; F345-L358 HydrophobicContact CE1-CB 4.18Å; F354-L358 HydrophobicContact CD1-CD1 3.87Å; F354-L358 HydrophobicContact CD1-CG 4.19Å; F354-L358 HydrophobicContact CE1-CD1 3.62Å; F354-L358 HydrophobicContact CE1-CD2 4.45Å; F354-L358 HydrophobicContact CE1-CG 4.01Å; F354-L358 WeakPolarHBondContact O-CG 3.35Å; F354-L358 PolarHBondContact O-N 2.98Å; H355-L358 PolarHBondContact O-N 2.93Å; L358-C361 PolarHBondContact O-N 2.93Å; L358-A362 WeakPolarHBondContact O-CB 3.32Å; L358-A362 PolarHBondContact O-N 2.77Å
359L86.4Confident82.1Confident47 Ų4758.3 Ų58.325%0.24631%0.306CS..Hα-helixtrans-65-44.8176.6-173.167.4000111.5W332 L336 F345 H355 K356 E357 C361 A362 E363W332-L359 HydrophobicContact CH2-CD1 4.4Å; W332-L359 HydrophobicContact CZ2-CD1 3.94Å; L336-L359 HydrophobicContact CD1-CD1 3.8Å; F345-L359 HydrophobicContact CE1-CB 4.25Å; F345-L359 HydrophobicContact CE1-CD1 4.3Å; F345-L359 HydrophobicContact CZ-CD1 4.09Å; H355-L359 WeakPolarHBondContact O-CB 3.34Å; H355-L359 PolarHBondContact O-N 3.35Å; K356-L359 PolarHBondContact O-N 2.96Å; E357-L359 VanDerWaalsContact C-N 3.27Å; E357-L359 PolarHBondContact O-N 3.18Å; L359-C361 PolarHBondContact O-N 3.42Å; L359-A362 WeakPolarHBondContact O-CB 3.11Å; L359-A362 PolarHBondContact O-N 3.46Å; L359-E363 WeakPolarHBondContact O-CG 3.48Å; L359-E363 PolarHBondContact O-N 2.98Å
360R83.8Confident81.7Confident68 Ų6852.6 Ų52.626%0.25728%0.277SS..Hα-helixtrans-56.8-48.5175.1-172-169.873.681.61.8111.2Q223 K356 E357 A362 E363 I364Q223-R360 VanDerWaalsContact O-CZ 3.29Å; Q223-R360 PolarHBondContact O-NH1 3.12Å; Q223-R360 PolarHBondContact O-NH2 3.45Å; K356-R360 WeakPolarHBondContact O-CB 3.35Å; K356-R360 PolarHBondContact O-N 2.85Å; E357-R360 WeakPolarHBondContact O-CB 3.4Å; E357-R360 PolarHBondContact O-N 3.3Å; E357-R360 IonicContact OE1-CZ 3.35Å; E357-R360 IonicContact OE1-NE 3.55Å; E357-R360 PolarHBondContact OE1-NE 2.97Å; E357-R360 IonicContact OE1-NH2 3.09Å; E357-R360 PolarHBondContact OE1-NH2 3.06Å; E357-R360 IonicContact OE2-CZ 3.38Å; E357-R360 IonicContact OE2-NE 2.96Å; E357-R360 PolarHBondContact OE2-NE 3.13Å; E357-R360 IonicContact OE2-NH2 2.7Å; R360-A362 VanDerWaalsContact C-N 3.32Å; R360-A362 PolarHBondContact O-N 3.37Å; R360-E363 PolarHBondContact O-N 3.13Å; R360-I364 HydrophobicContact CG-CD1 4.21Å; R360-I364 VanDerWaalsContact NH1-CD1 3.26Å; R360-I364 WeakPolarHBondContact O-CB 3.47Å; R360-I364 PolarHBondContact O-N 2.87Å
361C82.8Confident80.7Confident25 Ų2547.5 Ų47.517%0.16926%0.259CS..Hα-helixtrans-64.9-34.2177.5-62.60000112.8V51 E357 L358 L359 F365V51-C361 HydrophobicContact CG1-CB 3.58Å; E357-C361 PolarHBondContact O-N 3.12Å; E357-C361 PolarHBondContact O-SG 2.91Å; E357-C361 PolarHBondContact OE1-SG 2.97Å; L358-C361 PolarHBondContact O-N 2.93Å; L359-C361 PolarHBondContact O-N 3.42Å; C361-F365 WeakPolarHBondContact O-CB 3.4Å; C361-F365 PolarHBondContact O-N 2.63Å
362A85.1Confident79.8Confident1 Ų148.3 Ų48.31%0.00826%0.258CS..Hα-helixtrans-70.1-38.1173.600000113.1W332 L339 Y344 L358 L359 R360 F365 F366W332-A362 HydrophobicContact CH2-CB 4.06Å; L339-A362 HydrophobicContact CD1-CB 3.64Å; Y344-A362 HydrophobicContact CE1-CB 3.96Å; L358-A362 WeakPolarHBondContact O-CB 3.32Å; L358-A362 PolarHBondContact O-N 2.77Å; L359-A362 WeakPolarHBondContact O-CB 3.11Å; L359-A362 PolarHBondContact O-N 3.46Å; R360-A362 VanDerWaalsContact C-N 3.32Å; R360-A362 PolarHBondContact O-N 3.37Å; A362-F365 PolarHBondContact O-N 3.16Å; A362-F366 VanDerWaalsContact O-CB 3.31Å; A362-F366 WeakPolarHBondContact O-CB 3.38Å; A362-F366 PolarHBondContact O-N 3.07Å
363E84.9Confident78Confident70 Ų7053.7 Ų53.733%0.32728%0.276SS..Hα-helixtrans-63.6-44.8174.2-75.6178.6-172.800111.1V326 W332 L359 R360 F366 K367V326-E363 HydrophobicContact CB-CG 4.44Å; V326-E363 HydrophobicContact CG2-CB 4.29Å; W332-E363 HydrophobicContact CH2-CB 4.15Å; W332-E363 HydrophobicContact CH2-CG 3.38Å; W332-E363 HydrophobicContact CZ2-CG 3.37Å; W332-E363 HydrophobicContact CZ3-CG 4.19Å; L359-E363 WeakPolarHBondContact O-CG 3.48Å; L359-E363 PolarHBondContact O-N 2.98Å; R360-E363 PolarHBondContact O-N 3.13Å; E363-F366 PolarHBondContact O-N 3.3Å; E363-K367 WeakPolarHBondContact O-CG 3.2Å; E363-K367 PolarHBondContact O-N 2.77Å
364I80.3Confident76.2Confident35 Ų3556 Ų5618%0.17929%0.287CS..Hα-helixtrans-54.9-55.3172.4-84.6160.6000111.5R224 R360 F366 K367 Q368R224-I364 VanDerWaalsContact NH1-CG2 3.3Å; R360-I364 HydrophobicContact CG-CD1 4.21Å; R360-I364 VanDerWaalsContact NH1-CD1 3.26Å; R360-I364 WeakPolarHBondContact O-CB 3.47Å; R360-I364 PolarHBondContact O-N 2.87Å; I364-F366 VanDerWaalsContact C-N 3.29Å; I364-F366 PolarHBondContact O-N 3.04Å; I364-K367 WeakPolarHBondContact O-CB 3.47Å; I364-K367 PolarHBondContact O-N 3.26Å; I364-K367 VanDerWaalsContact O-N 3.12Å; I364-Q368 PolarHBondContact O-N 3.04Å; I364-Q368 VanDerWaalsContact O-N 3.13Å
365F83.1Confident74.7Confident13 Ų1356.2 Ų56.26%0.05730%0.3CS..Hα-helixtrans-61.5-39-179.7174-93.2000111.7A47 L50 V51 F335 C361 A362 K367 Q368 S369A47-F365 HydrophobicContact CB-CD1 4.33Å; A47-F365 HydrophobicContact CB-CE1 4.01Å; A47-F365 HydrophobicContact CB-CZ 4.48Å; L50-F365 HydrophobicContact CB-CD2 4.26Å; L50-F365 HydrophobicContact CB-CE2 3.59Å; L50-F365 HydrophobicContact CB-CZ 4.24Å; L50-F365 HydrophobicContact CD1-CE2 3.62Å; L50-F365 HydrophobicContact CD1-CZ 3.57Å; L50-F365 HydrophobicContact CG-CE2 4.26Å; V51-F365 HydrophobicContact CG2-CB 3.73Å; V51-F365 HydrophobicContact CG2-CD2 4.12Å; V51-F365 HydrophobicContact CG2-CG 3.9Å; F335-F365 HydrophobicContact CE1-CD1 4.31Å; F335-F365 HydrophobicContact CE2-CD1 4.46Å; F335-F365 HydrophobicContact CE2-CE1 4.18Å; F335-F365 AromaticContact CZ-CD1 3.63Å; F335-F365 HydrophobicContact CZ-CD1 3.63Å; F335-F365 AromaticContact CZ-CE1 3.77Å; F335-F365 HydrophobicContact CZ-CE1 3.77Å; C361-F365 WeakPolarHBondContact O-CB 3.4Å; C361-F365 PolarHBondContact O-N 2.63Å; A362-F365 PolarHBondContact O-N 3.16Å; F365-K367 PolarHBondContact O-N 3.35Å; F365-Q368 PolarHBondContact O-N 3.03Å; F365-S369 VanDerWaalsContact CE2-OG 3.28Å; F365-S369 WeakPolarHBondContact CE2-OG 3.34Å; F365-S369 WeakPolarHBondContact O-CB 3.16Å; F365-S369 PolarHBondContact O-N 3.05Å; F365-S369 PolarHBondContact O-OG 3.38Å
366F82.9Confident73.3Confident1 Ų161.1 Ų61.10%0.00434%0.336CS..Hα-helixtrans-63.8-40.4175.4179.2-89.2000112.4V326 N329 Q331 W332 F335 A362 E363 I364 Q368 V370 A371V326-F366 HydrophobicContact CG1-CD1 3.36Å; V326-F366 HydrophobicContact CG1-CE1 3.68Å; V326-F366 HydrophobicContact CG1-CG 4.25Å; N329-F366 HydrophobicContact CB-CE1 4.1Å; N329-F366 HydrophobicContact CB-CZ 4.29Å; Q331-F366 HydrophobicContact CB-CE2 4.14Å; Q331-F366 HydrophobicContact CB-CZ 3.95Å; W332-F366 HydrophobicContact CB-CE1 4.1Å; W332-F366 HydrophobicContact CB-CE2 4.34Å; W332-F366 HydrophobicContact CB-CZ 3.91Å; W332-F366 HydrophobicContact CE3-CB 3.78Å; W332-F366 AromaticContact CE3-CD1 3.92Å; W332-F366 HydrophobicContact CE3-CD1 3.92Å; W332-F366 AromaticContact CE3-CD2 3.78Å; W332-F366 HydrophobicContact CE3-CD2 3.78Å; W332-F366 HydrophobicContact CE3-CE1 4.42Å; W332-F366 HydrophobicContact CE3-CE2 4.31Å; W332-F366 AromaticContact CE3-CG 3.55Å; W332-F366 HydrophobicContact CE3-CG 3.55Å; W332-F366 HydrophobicContact CZ3-CB 3.64Å; W332-F366 HydrophobicContact CZ3-CD2 4.37Å; W332-F366 AromaticContact CZ3-CG 3.98Å; W332-F366 HydrophobicContact CZ3-CG 3.98Å; F335-F366 HydrophobicContact CB-CD2 3.91Å; F335-F366 HydrophobicContact CB-CE2 3.97Å; F335-F366 HydrophobicContact CD1-CB 4.12Å; F335-F366 AromaticContact CD1-CD2 3.61Å; F335-F366 HydrophobicContact CD1-CD2 3.61Å; F335-F366 HydrophobicContact CD1-CE2 4.49Å; F335-F366 HydrophobicContact CD1-CG 4.26Å; F335-F366 HydrophobicContact CD2-CD2 4.48Å; F335-F366 HydrophobicContact CE1-CB 4.03Å; F335-F366 HydrophobicContact CE1-CD2 4.23Å; F335-F366 AromaticContact CG-CD2 3.75Å; F335-F366 HydrophobicContact CG-CD2 3.75Å; F335-F366 HydrophobicContact CG-CE2 4.3Å; A362-F366 VanDerWaalsContact O-CB 3.31Å; A362-F366 WeakPolarHBondContact O-CB 3.38Å; A362-F366 PolarHBondContact O-N 3.07Å; E363-F366 PolarHBondContact O-N 3.3Å; I364-F366 VanDerWaalsContact C-N 3.29Å; I364-F366 PolarHBondContact O-N 3.04Å; F366-Q368 VanDerWaalsContact C-N 3.34Å; F366-Q368 PolarHBondContact O-N 3.25Å; F366-V370 HydrophobicContact CD2-CB 3.6Å; F366-V370 HydrophobicContact CD2-CG1 3.82Å; F366-V370 HydrophobicContact CD2-CG2 3.93Å; F366-V370 HydrophobicContact CE2-CB 3.79Å; F366-V370 HydrophobicContact CE2-CG1 3.49Å; F366-V370 VanDerWaalsContact CE2-CG1 3.49Å; F366-V370 HydrophobicContact CE2-CG2 4.45Å; F366-V370 HydrophobicContact CG-CB 4.16Å; F366-V370 HydrophobicContact CZ-CB 4.49Å; F366-V370 HydrophobicContact CZ-CG1 4.19Å; F366-V370 PolarHBondContact O-N 3.45Å; F366-A371 HydrophobicContact CD1-CB 4Å; F366-A371 HydrophobicContact CE1-CB 3.76Å; F366-A371 HydrophobicContact CZ-CB 4.49Å; F366-A371 WeakPolarHBondContact O-CB 3.28Å; F366-A371 PolarHBondContact O-N 3.13Å
367K78.9Confident72.7Confident81 Ų8159.3 Ų59.335%0.35233%0.332SS..Hα-helixtrans-59.4-42.9174.1-75.1-170.1-178.9-167.70112.4D323 V326 E363 I364 F365 S372D323-K367 IonicContact OD1-NZ 2.88Å; D323-K367 PolarHBondContact OD1-NZ 3.06Å; D323-K367 IonicContact OD2-NZ 3.73Å; D323-K367 PolarHBondContact OD2-NZ 3.43Å; V326-K367 HydrophobicContact CG2-CD 4.16Å; V326-K367 HydrophobicContact CG2-CG 3.81Å; E363-K367 WeakPolarHBondContact O-CG 3.2Å; E363-K367 PolarHBondContact O-N 2.77Å; I364-K367 WeakPolarHBondContact O-CB 3.47Å; I364-K367 PolarHBondContact O-N 3.26Å; I364-K367 VanDerWaalsContact O-N 3.12Å; F365-K367 PolarHBondContact O-N 3.35Å; K367-S372 PolarHBondContact O-OG 3Å
368Q75Confident72.7Confident74 Ų7457.6 Ų57.635%0.34633%0.329SS..Hα-helixtrans-84.4-28.6-174.7-71.5-179-32.900115.1R224 I364 F365 F366 S372 E382R224-Q368 VanDerWaalsContact NH2-CD 3.25Å; I364-Q368 PolarHBondContact O-N 3.04Å; I364-Q368 VanDerWaalsContact O-N 3.13Å; F365-Q368 PolarHBondContact O-N 3.03Å; F366-Q368 VanDerWaalsContact C-N 3.34Å; F366-Q368 PolarHBondContact O-N 3.25Å; Q368-S372 PolarHBondContact O-OG 2.87Å; Q368-E382 PolarHBondContact NE2-OE2 3.33Å
369S74.9Confident72.8Confident16 Ų1657.9 Ų57.911%0.11234%0.335CS..Hα-helixtrans-113.1-24.2-173.2-560000114.7F365F365-S369 VanDerWaalsContact CE2-OG 3.28Å; F365-S369 WeakPolarHBondContact CE2-OG 3.34Å; F365-S369 WeakPolarHBondContact O-CB 3.16Å; F365-S369 PolarHBondContact O-N 3.05Å; F365-S369 PolarHBondContact O-OG 3.38Å
370V69.6Low72.9Confident22 Ų2255.7 Ų55.713%0.13332%0.324CS..THydrogen-bonded Turntrans-119-44.3-172-172.70000112.5L43 F335 F366 S372L43-V370 HydrophobicContact CD1-CG2 4.1Å; F335-V370 HydrophobicContact CE2-CG2 4.48Å; F366-V370 HydrophobicContact CD2-CB 3.6Å; F366-V370 HydrophobicContact CD2-CG1 3.82Å; F366-V370 HydrophobicContact CD2-CG2 3.93Å; F366-V370 HydrophobicContact CE2-CB 3.79Å; F366-V370 HydrophobicContact CE2-CG1 3.49Å; F366-V370 VanDerWaalsContact CE2-CG1 3.49Å; F366-V370 HydrophobicContact CE2-CG2 4.45Å; F366-V370 HydrophobicContact CG-CB 4.16Å; F366-V370 HydrophobicContact CZ-CB 4.49Å; F366-V370 HydrophobicContact CZ-CG1 4.19Å; F366-V370 PolarHBondContact O-N 3.45Å; V370-S372 VanDerWaalsContact C-N 3.34Å; V370-S372 PolarHBondContact O-N 3.25Å
371A61.7Low73.1Confident33 Ų3355.1 Ų55.127%0.27332%0.324SS..SBendtrans-82.6-8.4-17500000114.1F366 K373F366-A371 HydrophobicContact CD1-CB 4Å; F366-A371 HydrophobicContact CE1-CB 3.76Å; F366-A371 HydrophobicContact CZ-CB 4.49Å; F366-A371 WeakPolarHBondContact O-CB 3.28Å; F366-A371 PolarHBondContact O-N 3.13Å; A371-K373 VanDerWaalsContact C-N 3.25Å; A371-K373 PolarHBondContact O-N 3.13Å
372S58.7Low73.3Confident62 Ų6255.6 Ų55.643%0.43432%0.324SS..  trans-70.873.7-169.7-35.20000113.1K367 Q368 V370K367-S372 PolarHBondContact O-OG 3Å; Q368-S372 PolarHBondContact O-OG 2.87Å; V370-S372 VanDerWaalsContact C-N 3.34Å; V370-S372 PolarHBondContact O-N 3.25Å
373K49.8Very low73.6Confident149 Ų14955.5 Ų55.565%0.64832%0.323SS*.SBendtrans-116.6122.3167.2-68.1171.5-175.3159.90107.4A371A371-K373 VanDerWaalsContact C-N 3.25Å; A371-K373 PolarHBondContact O-N 3.13Å
374S43.1Very low73.8Confident134 Ų13453 Ų5394%0.93731%0.312SS*.SBendtrans84.3-13.9168.360.70000122.6
375S47.5Very low74.1Confident98 Ų9854.4 Ų54.469%0.68532%0.318SS*.  trans-156.8110.216546.40000112.5I377S375-I377 PolarHBondContact O-N 2.92Å
376S58.3Low74.4Confident118 Ų11854.9 Ų54.983%0.82532%0.321SS*.  trans-77.3103.5165.950.20000108.5S378S376-S378 PolarHBondContact O-N 3.27Å
377I71.6Confident74.6Confident93 Ų9356.5 Ų56.548%0.47733%0.329SS..  trans-55.4129.2165.9-59.9174.7000107S375 E381 E382S375-I377 PolarHBondContact O-N 2.92Å; I377-E381 HydrophobicContact CG2-CB 3.55Å; I377-E382 HydrophobicContact CG2-CB 4.27Å
378S85.1Confident74.8Confident47 Ų4759 Ų5933%0.32934%0.342SS..  trans-70.5155.5177.862.10000111S376 G380 E381 E382S376-S378 PolarHBondContact O-N 3.27Å; S378-G380 PolarHBondContact O-N 3.18Å; S378-E381 WeakPolarHBondContact CB-OE2 3.28Å; S378-E381 PolarHBondContact N-OE2 3.24Å; S378-E381 PolarHBondContact O-N 3.01Å; S378-E381 VanDerWaalsContact O-N 3.07Å; S378-E381 WeakPolarHBondContact OG-CB 3.32Å; S378-E381 WeakPolarHBondContact OG-CG 3.47Å; S378-E381 PolarHBondContact OG-N 3.41Å; S378-E381 PolarHBondContact OG-OE2 3.44Å; S378-E382 PolarHBondContact O-N 3.12Å
379A86.2Confident75.2Confident28 Ų2859.3 Ų59.323%0.23135%0.352CS..Hα-helixtrans-55-40.1-179.100000112.3L227 P230 L311 E382 I383L227-A379 HydrophobicContact CD2-CB 4.18Å; P230-A379 HydrophobicContact CB-CB 3.86Å; P230-A379 HydrophobicContact CG-CB 3.81Å; L311-A379 HydrophobicContact CD1-CB 4.33Å; A379-E382 PolarHBondContact O-N 3.42Å; A379-I383 WeakPolarHBondContact O-CD1 3.35Å; A379-I383 WeakPolarHBondContact O-CG1 3.22Å; A379-I383 PolarHBondContact O-N 3.24Å
380G87Confident75.2Confident2 Ų260 Ų602%0.02136%0.357CS..Hα-helixtrans-71.5-32.3177.200000114.5S315 S378 I383 L384S315-G380 WeakPolarHBondContact OG-CA 3.47Å; S378-G380 PolarHBondContact O-N 3.18Å; G380-I383 PolarHBondContact O-N 3.19Å; G380-L384 VanDerWaalsContact O-CG 3.3Å; G380-L384 WeakPolarHBondContact O-CG 3.41Å; G380-L384 PolarHBondContact O-N 3.24Å
381E87.6Confident75.4Confident56 Ų5664.6 Ų64.626%0.26239%0.387SS..Hα-helixtrans-66-39.6170.1-73.9163.9151.500111.3S315 I377 S378 L384 Q385S315-E381 PolarHBondContact OG-N 3.35Å; I377-E381 HydrophobicContact CG2-CB 3.55Å; S378-E381 WeakPolarHBondContact CB-OE2 3.28Å; S378-E381 PolarHBondContact N-OE2 3.24Å; S378-E381 PolarHBondContact O-N 3.01Å; S378-E381 VanDerWaalsContact O-N 3.07Å; S378-E381 WeakPolarHBondContact OG-CB 3.32Å; S378-E381 WeakPolarHBondContact OG-CG 3.47Å; S378-E381 PolarHBondContact OG-N 3.41Å; S378-E381 PolarHBondContact OG-OE2 3.44Å; E381-L384 PolarHBondContact O-N 3.49Å; E381-Q385 WeakPolarHBondContact O-CB 3.47Å; E381-Q385 PolarHBondContact O-N 3.14Å
382E88Confident76.2Confident34 Ų3467.1 Ų67.116%0.15940%0.396CS..Hα-helixtrans-63.8-43.6173.8-174174.4171.300111.2R224 Q368 I377 S378 A379 L384 Q385 L386R224-E382 IonicContact CZ-OE1 3.15Å; R224-E382 IonicContact NE-OE1 3.25Å; R224-E382 IonicContact NH1-OE1 2.89Å; R224-E382 PolarHBondContact NH1-OE1 3.26Å; R224-E382 IonicContact NH1-OE2 2.96Å; Q368-E382 PolarHBondContact NE2-OE2 3.33Å; I377-E382 HydrophobicContact CG2-CB 4.27Å; S378-E382 PolarHBondContact O-N 3.12Å; A379-E382 PolarHBondContact O-N 3.42Å; E382-L384 PolarHBondContact O-N 3.13Å; E382-Q385 PolarHBondContact O-N 2.79Å; E382-L386 HydrophobicContact CG-CD1 4.16Å; E382-L386 VanDerWaalsContact O-CG 3.31Å; E382-L386 WeakPolarHBondContact O-CG 3.06Å; E382-L386 PolarHBondContact O-N 3.04Å
383I90.9Very high77Confident0 Ų067.5 Ų67.50%039%0.393CS..Hα-helixtrans-56.8-48.6174.3-69.1160.9000110.9V220 L227 F252 F308 L311 C312 A379 G380 Q385 L386 L387V220-I383 HydrophobicContact CG1-CG1 4.18Å; V220-I383 HydrophobicContact CG1-CG2 4.47Å; V220-I383 HydrophobicContact CG2-CG2 4.24Å; L227-I383 HydrophobicContact CD1-CG1 3.84Å; F252-I383 HydrophobicContact CE2-CG2 4.35Å; F252-I383 HydrophobicContact CZ-CG2 3.65Å; F308-I383 HydrophobicContact CD1-CD1 3.64Å; F308-I383 HydrophobicContact CD1-CG1 4.25Å; F308-I383 HydrophobicContact CD1-CG2 4.24Å; F308-I383 HydrophobicContact CE1-CD1 3.64Å; F308-I383 HydrophobicContact CE1-CG1 4.03Å; L311-I383 HydrophobicContact CB-CD1 4.17Å; L311-I383 HydrophobicContact CD1-CD1 3.56Å; C312-I383 WeakPolarHBondContact SG-CG2 3.39Å; A379-I383 WeakPolarHBondContact O-CD1 3.35Å; A379-I383 WeakPolarHBondContact O-CG1 3.22Å; A379-I383 PolarHBondContact O-N 3.24Å; G380-I383 PolarHBondContact O-N 3.19Å; I383-Q385 PolarHBondContact O-N 3.12Å; I383-L386 PolarHBondContact O-N 3.4Å; I383-L387 HydrophobicContact CG2-CD1 4.14Å; I383-L387 WeakPolarHBondContact O-CG 3.13Å; I383-L387 PolarHBondContact O-N 2.74Å
384L89.1Confident78.4Confident16 Ų1663.9 Ų63.98%0.08438%0.38CS..Hα-helixtrans-62.5-41.6177.6-70.3172.3000112T251 C312 G380 E381 E382 L386 L387 H388T251-L384 HydrophobicContact CG2-CD2 3.78Å; C312-L384 HydrophobicContact CB-CD2 4.27Å; C312-L384 HydrophobicContact CB-CG 4.47Å; G380-L384 VanDerWaalsContact O-CG 3.3Å; G380-L384 WeakPolarHBondContact O-CG 3.41Å; G380-L384 PolarHBondContact O-N 3.24Å; E381-L384 PolarHBondContact O-N 3.49Å; E382-L384 PolarHBondContact O-N 3.13Å; L384-L386 VanDerWaalsContact C-N 3.35Å; L384-L386 PolarHBondContact O-N 3.41Å; L384-L387 PolarHBondContact O-N 3.43Å; L384-H388 PolarHBondContact O-CD2 2.96Å; L384-H388 PolarHBondContact O-N 2.99Å
385Q87.4Confident80.1Confident65 Ų6563.8 Ų63.830%0.30437%0.365SS..Hα-helixtrans-61.3-42.5176.2-170.5-175.6-3.100111.6D323 E381 E382 I383 H388 S389D323-Q385 PolarHBondContact OD2-NE2 3.02Å; E381-Q385 WeakPolarHBondContact O-CB 3.47Å; E381-Q385 PolarHBondContact O-N 3.14Å; E382-Q385 PolarHBondContact O-N 2.79Å; I383-Q385 PolarHBondContact O-N 3.12Å; Q385-H388 PolarHBondContact O-N 2.97Å; Q385-S389 WeakPolarHBondContact O-CB 3.2Å; Q385-S389 PolarHBondContact O-N 3.06Å; Q385-S389 PolarHBondContact O-OG 2.93Å
386L88.1Confident81.8Confident24 Ų2464.2 Ų64.213%0.12636%0.356CS..Hα-helixtrans-63.6-45.2177.2-70.7166.7000111.7V220 R224 L227 E382 I383 L384 H388 S389 S390V220-L386 HydrophobicContact CG1-CD1 4.18Å; V220-L386 HydrophobicContact CG2-CB 4.28Å; R224-L386 HydrophobicContact CB-CD1 4.15Å; R224-L386 HydrophobicContact CG-CD1 3.57Å; L227-L386 HydrophobicContact CD1-CD1 3.8Å; E382-L386 HydrophobicContact CG-CD1 4.16Å; E382-L386 VanDerWaalsContact O-CG 3.31Å; E382-L386 WeakPolarHBondContact O-CG 3.06Å; E382-L386 PolarHBondContact O-N 3.04Å; I383-L386 PolarHBondContact O-N 3.4Å; L384-L386 VanDerWaalsContact C-N 3.35Å; L384-L386 PolarHBondContact O-N 3.41Å; L386-H388 PolarHBondContact O-N 3Å; L386-S389 WeakPolarHBondContact CA-OG 3.45Å; L386-S389 PolarHBondContact O-N 3.25Å; L386-S389 VanDerWaalsContact O-N 3.15Å; L386-S389 PolarHBondContact O-OG 3.17Å; L386-S390 PolarHBondContact O-N 2.95Å; L386-S390 VanDerWaalsContact O-N 3.1Å
387L87.4Confident82.9Confident35 Ų3560 Ų6018%0.18332%0.323CS..Hα-helixtrans-60.3-40.6175.9-70.4170.8000112.8V220 T251 F252 I383 L384 S389V220-L387 HydrophobicContact CG2-CD2 3.8Å; V220-L387 HydrophobicContact CG2-CG 3.9Å; T251-L387 HydrophobicContact CG2-CD1 3.95Å; F252-L387 HydrophobicContact CE1-CD1 3.73Å; F252-L387 HydrophobicContact CE1-CD2 4.08Å; F252-L387 HydrophobicContact CE1-CG 4.44Å; F252-L387 HydrophobicContact CZ-CD1 3.72Å; I383-L387 HydrophobicContact CG2-CD1 4.14Å; I383-L387 WeakPolarHBondContact O-CG 3.13Å; I383-L387 PolarHBondContact O-N 2.74Å; L384-L387 PolarHBondContact O-N 3.43Å; L387-S389 VanDerWaalsContact C-N 3.34Å
388H84.5Confident83.3Confident134 Ų13462.1 Ų62.162%0.6233%0.329SS*.Hα-helixtrans-70.4-29.1175.2-74.9-57.9000113.2L384 Q385 L386L384-H388 PolarHBondContact O-CD2 2.96Å; L384-H388 PolarHBondContact O-N 2.99Å; Q385-H388 PolarHBondContact O-N 2.97Å; L386-H388 PolarHBondContact O-N 3Å
389S81.9Confident83.2Confident80 Ų8065.5 Ų65.556%0.55934%0.338SS*.Hα-helixtrans-81.2-23.3-178.376.70000114.7Q385 L386 L387Q385-S389 WeakPolarHBondContact O-CB 3.2Å; Q385-S389 PolarHBondContact O-N 3.06Å; Q385-S389 PolarHBondContact O-OG 2.93Å; L386-S389 WeakPolarHBondContact CA-OG 3.45Å; L386-S389 PolarHBondContact O-N 3.25Å; L386-S389 VanDerWaalsContact O-N 3.15Å; L386-S389 PolarHBondContact O-OG 3.17Å; L387-S389 VanDerWaalsContact C-N 3.34Å
390S76.4Confident83Confident29 Ų2968.2 Ų68.220%0.20335%0.348CS..SBendtrans-124.9112.3-169.1-172.70000111.6L386 L392L386-S390 PolarHBondContact O-N 2.95Å; L386-S390 VanDerWaalsContact O-N 3.1Å; S390-L392 PolarHBondContact O-N 3.44Å
391P73.8Confident82.8Confident119 Ų11970.9 Ų70.977%0.77336%0.36SS*.  trans-67.9132.7179.228.5-34000111.3N393P391-N393 PolarHBondContact O-N 3.31Å
392L77.5Confident82.4Confident87 Ų8772.6 Ų72.646%0.45538%0.378SS..  trans-71.4119.6-178.7-58.8179000111.6S390S390-L392 PolarHBondContact O-N 3.44Å
393N76.6Confident82.3Confident70 Ų7078.1 Ų78.137%0.37440%0.404SS..  trans-110.986.5177.7-171.30.3000111.7P391 E395 E396 F397P391-N393 PolarHBondContact O-N 3.31Å; N393-E395 PolarHBondContact O-N 3.29Å; N393-E395 PolarHBondContact OD1-N 3.37Å; N393-E396 HydrophobicContact CB-CB 4.06Å; N393-E396 WeakPolarHBondContact ND2-CB 3.33Å; N393-E396 PolarHBondContact ND2-OE2 3.4Å; N393-E396 WeakPolarHBondContact O-CB 3.4Å; N393-E396 PolarHBondContact O-N 3.27Å; N393-E396 VanDerWaalsContact O-N 3.09Å; N393-F397 VanDerWaalsContact O-CD2 3.26Å; N393-F397 WeakPolarHBondContact O-CD2 3.48Å; N393-F397 PolarHBondContact O-N 3.35Å
394L79.2Confident82Confident72 Ų7280.3 Ų80.338%0.37742%0.415SS..Hα-helixtrans-59.3-31.3-177.6-62.3172000113.4A215 T256 E396 K398A215-L394 HydrophobicContact CB-CD2 3.34Å; T256-L394 HydrophobicContact CG2-CD2 4.46Å; L394-E396 VanDerWaalsContact C-N 3.3Å; L394-E396 PolarHBondContact O-N 3.44Å; L394-K398 WeakPolarHBondContact O-CG 3.46Å; L394-K398 PolarHBondContact O-N 3.17Å; L394-K398 VanDerWaalsContact O-N 3.12Å
395E78.8Confident81.9Confident133 Ų13382.6 Ų82.662%0.62143%0.431SS*.Hα-helixtrans-70.3-27.2178.5-65.6-170.2-174.600113.2N393 K399N393-E395 PolarHBondContact O-N 3.29Å; N393-E395 PolarHBondContact OD1-N 3.37Å; E395-K399 VanDerWaalsContact O-CD 3.27Å; E395-K399 WeakPolarHBondContact O-CD 3.47Å; E395-K399 WeakPolarHBondContact O-CE 3.38Å; E395-K399 VanDerWaalsContact O-CG 3.26Å; E395-K399 WeakPolarHBondContact O-CG 3.3Å; E395-K399 PolarHBondContact O-N 3.48Å; E395-K399 IonicContact OE2-NZ 2.67Å
396E82.6Confident81.9Confident107 Ų10784.5 Ų84.550%0.545%0.449SS..Hα-helixtrans-75.9-45.1177.8-175.1164.2-169.200110.7N393 L394 K398 K399 L400N393-E396 HydrophobicContact CB-CB 4.06Å; N393-E396 WeakPolarHBondContact ND2-CB 3.33Å; N393-E396 PolarHBondContact ND2-OE2 3.4Å; N393-E396 WeakPolarHBondContact O-CB 3.4Å; N393-E396 PolarHBondContact O-N 3.27Å; N393-E396 VanDerWaalsContact O-N 3.09Å; L394-E396 VanDerWaalsContact C-N 3.3Å; L394-E396 PolarHBondContact O-N 3.44Å; E396-K398 VanDerWaalsContact C-N 3.34Å; E396-K398 PolarHBondContact O-N 3.13Å; E396-K399 WeakPolarHBondContact O-CB 3.02Å; E396-K399 PolarHBondContact O-N 3.48Å; E396-L400 HydrophobicContact CG-CD1 4.47Å; E396-L400 WeakPolarHBondContact O-CG 3.39Å; E396-L400 PolarHBondContact O-N 3.42Å
397F81.6Confident82Confident30 Ų3086.7 Ų86.713%0.13246%0.459CS..Hα-helixtrans-60.5-40.3173.2-67.2-67.4000112.7A215 A218 V258 N393 K399 L400 E401A215-F397 HydrophobicContact CB-CD2 4.12Å; A215-F397 HydrophobicContact CB-CE2 4.47Å; A218-F397 HydrophobicContact CB-CD1 3.91Å; A218-F397 HydrophobicContact CB-CE1 3.72Å; A218-F397 HydrophobicContact CB-CZ 4.26Å; V258-F397 HydrophobicContact CB-CB 4.24Å; V258-F397 HydrophobicContact CG1-CB 3.99Å; V258-F397 HydrophobicContact CG2-CB 4.04Å; V258-F397 HydrophobicContact CG2-CG 4.41Å; N393-F397 VanDerWaalsContact O-CD2 3.26Å; N393-F397 WeakPolarHBondContact O-CD2 3.48Å; N393-F397 PolarHBondContact O-N 3.35Å; F397-K399 VanDerWaalsContact C-N 3.28Å; F397-K399 PolarHBondContact O-N 3.25Å; F397-L400 HydrophobicContact CD1-CD1 4.3Å; F397-L400 PolarHBondContact O-N 3.02Å; F397-L400 VanDerWaalsContact O-N 3.14Å; F397-E401 PolarHBondContact O-N 3.2Å
398K80.9Confident82.3Confident136 Ų13687.2 Ų87.259%0.59146%0.462SS*.Hα-helixtrans-64.4-28.4173.9-72.9178.6179.4-175.20113.6L394 E396L394-K398 WeakPolarHBondContact O-CG 3.46Å; L394-K398 PolarHBondContact O-N 3.17Å; L394-K398 VanDerWaalsContact O-N 3.12Å; E396-K398 VanDerWaalsContact C-N 3.34Å; E396-K398 PolarHBondContact O-N 3.13Å
399K82.6Confident82.6Confident119 Ų11984.5 Ų84.552%0.51746%0.458SS..Hα-helixtrans-74.3-39.5171.7-70.8159.2-166.9155.60111E395 E396 F397 S402E395-K399 VanDerWaalsContact O-CD 3.27Å; E395-K399 WeakPolarHBondContact O-CD 3.47Å; E395-K399 WeakPolarHBondContact O-CE 3.38Å; E395-K399 VanDerWaalsContact O-CG 3.26Å; E395-K399 WeakPolarHBondContact O-CG 3.3Å; E395-K399 PolarHBondContact O-N 3.48Å; E395-K399 IonicContact OE2-NZ 2.67Å; E396-K399 WeakPolarHBondContact O-CB 3.02Å; E396-K399 PolarHBondContact O-N 3.48Å; F397-K399 VanDerWaalsContact C-N 3.28Å; F397-K399 PolarHBondContact O-N 3.25Å; K399-S402 PolarHBondContact O-N 3.18Å; K399-S402 PolarHBondContact O-OG 2.99Å
400L80.8Confident83Confident85 Ų8583.1 Ų83.145%0.44544%0.444SS..Hα-helixtrans-66-36176.9-68.6169.5000112.4E396 F397 S402 Q403 L404E396-L400 HydrophobicContact CG-CD1 4.47Å; E396-L400 WeakPolarHBondContact O-CG 3.39Å; E396-L400 PolarHBondContact O-N 3.42Å; F397-L400 HydrophobicContact CD1-CD1 4.3Å; F397-L400 PolarHBondContact O-N 3.02Å; F397-L400 VanDerWaalsContact O-N 3.14Å; L400-S402 PolarHBondContact O-N 3.13Å; L400-Q403 CarbonylContact O-C 3.54Å; L400-Q403 PolarHBondContact O-N 3.4Å; L400-L404 PolarHBondContact O-N 2.99Å
401E84.2Confident83.5Confident57 Ų5785.4 Ų85.427%0.26646%0.46SS..Hα-helixtrans-52.1-40.8172.6172.7167.3-173.100111.8L259 R294 F397 Q403L259-E401 HydrophobicContact CB-CG 3.9Å; L259-E401 WeakPolarHBondContact CB-OE1 3.39Å; L259-E401 HydrophobicContact CD2-CG 4.4Å; R294-E401 IonicContact NH1-OE1 3.69Å; R294-E401 PolarHBondContact NH1-OE1 3.04Å; F397-E401 PolarHBondContact O-N 3.2Å; E401-Q403 PolarHBondContact O-N 3.44Å
402S78.9Confident84.3Confident93 Ų9383.2 Ų83.265%0.6544%0.436SS*.THydrogen-bonded Turntrans-70.1-7.9178.576.10000115.2K399 L400K399-S402 PolarHBondContact O-N 3.18Å; K399-S402 PolarHBondContact O-OG 2.99Å; L400-S402 PolarHBondContact O-N 3.13Å
403Q84.4Confident84.7Confident149 Ų14981.4 Ų81.470%0.69643%0.427SS*.THydrogen-bonded Turntrans-127.215.1-172.8-59.9-1792400113L400 E401L400-Q403 CarbonylContact O-C 3.54Å; L400-Q403 PolarHBondContact O-N 3.4Å; E401-Q403 PolarHBondContact O-N 3.44Å
404L86.3Confident85Confident46 Ų4683.6 Ų83.624%0.24144%0.435CS..PPolyproline II helixtrans-64.3134.9-178.6-65.7178.1000111.7L259 L400L259-L404 HydrophobicContact CB-CD1 4.39Å; L259-L404 HydrophobicContact CD2-CD1 3.97Å; L259-L404 HydrophobicContact CG-CD1 3.92Å; L400-L404 PolarHBondContact O-N 2.99Å
405P87.1Confident85.1Confident64 Ų6484.5 Ų84.542%0.41644%0.443SS..PPolyproline II helixtrans-59.2155.6166.1-20.933.1000111.3H210H210-P405 PolarHBondContact CE1-O 3.03Å; H210-P405 PolarHBondContact NE2-O 2.94Å
406P87.3Confident85.3Confident105 Ų10581.5 Ų81.568%0.68243%0.434SS*.PPolyproline II helixtrans-60.3154.6171.428.2-35.6000111.6
407E89.8Confident85.3Confident70 Ų7081 Ų8133%0.32744%0.443SS..PPolyproline II helixtrans-63154.3171.4-58.1-165.6138.700111.6R208 H210 K296R208-E407 WeakPolarHBondContact O-CA 3.5Å; H210-E407 HydrophobicContact CB-CG 4.33Å; H210-E407 WeakPolarHBondContact CB-OE1 3.43Å; H210-E407 IonicContact CG-OE1 2.7Å; H210-E407 PolarHBondContact N-OE1 3.48Å; K296-E407 IonicContact NZ-OE2 2.64Å; K296-E407 PolarHBondContact NZ-OE2 3.32Å
408D93.1Very high85.4Confident46 Ų4686.9 Ų86.925%0.24647%0.47CS..PPolyproline II helixtrans-77.9151.4166.2-67.8-46.9000110H207 R208H207-D408 PolarHBondContact CE1-O 3.18Å; H207-D408 VanDerWaalsContact CE1-O 3.22Å; R208-D408 VanDerWaalsContact CB-OD2 3.31Å; R208-D408 WeakPolarHBondContact CB-OD2 3.38Å; R208-D408 IonicContact CZ-OD1 3.8Å; R208-D408 IonicContact CZ-OD2 3.4Å; R208-D408 PolarHBondContact N-OD2 3.27Å; R208-D408 IonicContact NE-OD1 2.92Å; R208-D408 IonicContact NE-OD2 3.15Å; R208-D408 PolarHBondContact NE-OD2 3.14Å; R208-D408 IonicContact NH2-OD1 2.62Å; R208-D408 PolarHBondContact NH2-OD1 2.88Å; R208-D408 IonicContact NH2-OD2 2.82Å; R208-D408 PolarHBondContact NH2-OD2 3.47Å; R208-D408 PolarHBondContact O-N 2.91Å
409S90.6Very high85.4Confident77 Ų7783.9 Ų83.954%0.53846%0.461SS..PPolyproline II helixtrans-68.3142.5-177-177.70000113S411 W412S409-S411 VanDerWaalsContact C-N 3.32Å; S409-S411 WeakPolarHBondContact OG-CB 3.43Å; S409-S411 PolarHBondContact OG-N 3.42Å; S409-S411 VanDerWaalsContact OG-N 3.16Å; S409-S411 PolarHBondContact OG-OG 3.27Å; S409-W412 PolarHBondContact O-NE1 2.83Å
410D90.6Very high85.3Confident51 Ų5182.5 Ų82.527%0.27346%0.459SS..SBendtrans-81.7-7.3171.7-68.4-29.5000113.7H207 Y269 K296 W412 L413H207-D410 IonicContact CE1-OD1 2.86Å; H207-D410 PolarHBondContact CE1-OD1 2.83Å; H207-D410 IonicContact NE2-OD1 3.72Å; Y269-D410 VanDerWaalsContact CE1-OD1 3.28Å; Y269-D410 WeakPolarHBondContact CE1-OD1 3.47Å; Y269-D410 VanDerWaalsContact CZ-OD1 3.29Å; Y269-D410 PolarHBondContact OH-OD1 3.39Å; Y269-D410 PolarHBondContact OH-OD2 3.04Å; K296-D410 WeakPolarHBondContact CE-OD2 3.43Å; K296-D410 IonicContact NZ-OD1 3.4Å; K296-D410 PolarHBondContact NZ-OD1 3.01Å; K296-D410 IonicContact NZ-OD2 3.31Å; K296-D410 PolarHBondContact NZ-OD2 2.7Å; D410-W412 PolarHBondContact O-N 3.06Å; D410-L413 HydrophobicContact CB-CD1 4.48Å; D410-L413 WeakPolarHBondContact O-CB 3.36Å; D410-L413 PolarHBondContact O-N 3.49Å
411S87.9Confident85.4Confident77 Ų7785.2 Ų85.254%0.53847%0.469SS..THydrogen-bonded Turntrans-56.4-14.2-172.659.40000115.8S409S409-S411 VanDerWaalsContact C-N 3.32Å; S409-S411 WeakPolarHBondContact OG-CB 3.43Å; S409-S411 PolarHBondContact OG-N 3.42Å; S409-S411 VanDerWaalsContact OG-N 3.16Å; S409-S411 PolarHBondContact OG-OG 3.27Å
412W88.8Confident85.4Confident73 Ų7387.9 Ų87.928%0.27748%0.482SS..THydrogen-bonded Turntrans-82.5-11.2174.764.8-87.3000113.7H207 R266 Y269 A270 S409 D410H207-W412 AromaticContact ND1-NE1 3.59Å; R266-W412 HydrophobicContact CB-CE3 4.4Å; R266-W412 HydrophobicContact CB-CH2 3.5Å; R266-W412 HydrophobicContact CB-CZ2 3.81Å; R266-W412 HydrophobicContact CB-CZ3 3.82Å; R266-W412 HydrophobicContact CG-CD2 4.23Å; R266-W412 HydrophobicContact CG-CE3 4.38Å; R266-W412 HydrophobicContact CG-CH2 3.91Å; R266-W412 HydrophobicContact CG-CZ2 3.7Å; R266-W412 HydrophobicContact CG-CZ3 4.23Å; R266-W412 VanDerWaalsContact O-CH2 3.24Å; R266-W412 WeakPolarHBondContact O-CH2 3.28Å; Y269-W412 HydrophobicContact CD1-CH2 4.29Å; Y269-W412 AromaticContact CD1-CZ2 3.72Å; Y269-W412 HydrophobicContact CD1-CZ2 3.72Å; Y269-W412 HydrophobicContact CE1-CZ2 4.3Å; A270-W412 HydrophobicContact CB-CH2 4.18Å; S409-W412 PolarHBondContact O-NE1 2.83Å; D410-W412 PolarHBondContact O-N 3.06Å
413L86.1Confident85.5Confident50 Ų5088.3 Ų88.326%0.26248%0.476SS..THydrogen-bonded Turntrans-81.1-24.9169.6-70.6170.2000112Y269 A270 D410Y269-L413 HydrophobicContact CD1-CD1 4.33Å; Y269-L413 HydrophobicContact CE1-CD1 3.86Å; A270-L413 HydrophobicContact CB-CD2 3.92Å; D410-L413 HydrophobicContact CB-CD1 4.48Å; D410-L413 WeakPolarHBondContact O-CB 3.36Å; D410-L413 PolarHBondContact O-N 3.49Å
414E83.2Confident85.3Confident116 Ų11686.2 Ų86.254%0.54247%0.469SS..  trans-87.3109.2178.1-63.3-172.1151.400109.3K585E414-K585 IonicContact OE1-NZ 3.31Å; E414-K585 PolarHBondContact OE1-NZ 3.47Å; E414-K585 VanDerWaalsContact OE1-NZ 3.09Å
415V82.4Confident84.8Confident90 Ų9090 Ų9055%0.54549%0.486SS..  trans-102.4114172.2-179.30000108.2D419 L420V415-D419 HydrophobicContact CG1-CB 4.11Å; V415-L420 HydrophobicContact CG1-CB 4.09Å
416T83.1Confident84.2Confident71 Ų7191.8 Ų91.844%0.43649%0.488SS..  trans-76165175.574.20000111.2Q418 D419 L420T416-Q418 PolarHBondContact O-N 3.1Å; T416-Q418 PolarHBondContact OG1-N 2.79Å; T416-D419 VanDerWaalsContact CB-OD2 3.28Å; T416-D419 WeakPolarHBondContact CB-OD2 3.1Å; T416-D419 WeakPolarHBondContact CG2-OD2 3.45Å; T416-D419 PolarHBondContact N-OD2 2.94Å; T416-D419 VanDerWaalsContact N-OD2 3.09Å; T416-D419 PolarHBondContact O-N 2.85Å; T416-D419 PolarHBondContact OG1-N 3.46Å; T416-D419 VanDerWaalsContact OG1-N 3.15Å; T416-D419 PolarHBondContact OG1-OD2 2.7Å; T416-L420 WeakPolarHBondContact O-CB 3.2Å; T416-L420 PolarHBondContact O-N 2.85Å
417S81.9Confident83.3Confident97 Ų9795.4 Ų95.468%0.67849%0.488SS*.Hα-helixtrans-58.7-35.5173.8500000112.6E421S417-E421 WeakPolarHBondContact O-CB 3.11Å; S417-E421 PolarHBondContact O-N 3.2Å
418Q82.6Confident81.8Confident152 Ų15295.1 Ų95.171%0.7149%0.494SS*.Hα-helixtrans-70.9-41.2177-63.2179.98.600111.6T416 L420 E421 Q422T416-Q418 PolarHBondContact O-N 3.1Å; T416-Q418 PolarHBondContact OG1-N 2.79Å; Q418-L420 VanDerWaalsContact C-N 3.34Å; Q418-E421 PolarHBondContact O-N 3.45Å; Q418-Q422 WeakPolarHBondContact O-CB 3.46Å; Q418-Q422 PolarHBondContact O-N 3.37Å
419D82Confident79.8Confident73 Ų7394.4 Ų94.439%0.3950%0.497SS..Hα-helixtrans-64.3-40.9174.7-58.9-53.3000111.1V415 T416 Q422 L423V415-D419 HydrophobicContact CG1-CB 4.11Å; T416-D419 VanDerWaalsContact CB-OD2 3.28Å; T416-D419 WeakPolarHBondContact CB-OD2 3.1Å; T416-D419 WeakPolarHBondContact CG2-OD2 3.45Å; T416-D419 PolarHBondContact N-OD2 2.94Å; T416-D419 VanDerWaalsContact N-OD2 3.09Å; T416-D419 PolarHBondContact O-N 2.85Å; T416-D419 PolarHBondContact OG1-N 3.46Å; T416-D419 VanDerWaalsContact OG1-N 3.15Å; T416-D419 PolarHBondContact OG1-OD2 2.7Å; D419-Q422 PolarHBondContact O-N 3.26Å; D419-L423 WeakPolarHBondContact O-CB 3.37Å; D419-L423 VanDerWaalsContact O-CG 3.23Å; D419-L423 WeakPolarHBondContact O-CG 3.49Å; D419-L423 PolarHBondContact O-N 3.03Å
420L81.3Confident77.9Confident90 Ų9094.7 Ų94.747%0.47149%0.487SS..Hα-helixtrans-62.6-45175.3-179.362000111.4V415 T416 Q418 L423 L424V415-L420 HydrophobicContact CG1-CB 4.09Å; T416-L420 WeakPolarHBondContact O-CB 3.2Å; T416-L420 PolarHBondContact O-N 2.85Å; Q418-L420 VanDerWaalsContact C-N 3.34Å; L420-L423 PolarHBondContact O-N 3.38Å; L420-L424 HydrophobicContact CD1-CD1 4.35Å; L420-L424 HydrophobicContact CD1-CG 4.39Å; L420-L424 HydrophobicContact CG-CD1 4.16Å; L420-L424 WeakPolarHBondContact O-CB 3.13Å; L420-L424 VanDerWaalsContact O-CG 3.27Å; L420-L424 WeakPolarHBondContact O-CG 3.46Å; L420-L424 PolarHBondContact O-N 3.25Å
421E81.8Confident75.9Confident143 Ų14397.5 Ų97.567%0.66851%0.506SS*.Hα-helixtrans-64.2-39.5176-172.8162.8-146.600111.6S417 Q418 L424 Q425S417-E421 WeakPolarHBondContact O-CB 3.11Å; S417-E421 PolarHBondContact O-N 3.2Å; Q418-E421 PolarHBondContact O-N 3.45Å; E421-L424 PolarHBondContact O-N 3.43Å; E421-Q425 VanDerWaalsContact O-CB 3.24Å; E421-Q425 WeakPolarHBondContact O-CB 3.24Å; E421-Q425 PolarHBondContact O-N 3.07Å
422Q84.3Confident73.4Confident113 Ų11397.3 Ų97.353%0.52851%0.509SS..Hα-helixtrans-62.4-47.2172.3-177.2-179.8-29.700111.9Q418 D419 L424 Q425 E426Q418-Q422 WeakPolarHBondContact O-CB 3.46Å; Q418-Q422 PolarHBondContact O-N 3.37Å; D419-Q422 PolarHBondContact O-N 3.26Å; Q422-L424 VanDerWaalsContact C-N 3.31Å; Q422-L424 PolarHBondContact O-N 3.15Å; Q422-Q425 CarbonylContact O-C 3.55Å; Q422-Q425 PolarHBondContact O-N 3.15Å; Q422-Q425 VanDerWaalsContact O-N 3.12Å; Q422-E426 HydrophobicContact CG-CG 4.42Å; Q422-E426 PolarHBondContact NE2-OE1 3.27Å; Q422-E426 WeakPolarHBondContact O-CG 3.28Å; Q422-E426 PolarHBondContact O-N 2.89Å
423L82Confident70.8Confident101 Ų101101 Ų10153%0.52953%0.534SS..Hα-helixtrans-61-40.3178.4-74.2168.3000111.9D419 L420 R427D419-L423 WeakPolarHBondContact O-CB 3.37Å; D419-L423 VanDerWaalsContact O-CG 3.23Å; D419-L423 WeakPolarHBondContact O-CG 3.49Å; D419-L423 PolarHBondContact O-N 3.03Å; L420-L423 PolarHBondContact O-N 3.38Å; L423-R427 PolarHBondContact O-N 2.83Å
424L79Confident68.8Low106 Ų106103.9 Ų103.956%0.55555%0.553SS**Hα-helixtrans-66.5-40.5173.1-71.2172.8000111.4L420 E421 Q422 R427 S428L420-L424 HydrophobicContact CD1-CD1 4.35Å; L420-L424 HydrophobicContact CD1-CG 4.39Å; L420-L424 HydrophobicContact CG-CD1 4.16Å; L420-L424 WeakPolarHBondContact O-CB 3.13Å; L420-L424 VanDerWaalsContact O-CG 3.27Å; L420-L424 WeakPolarHBondContact O-CG 3.46Å; L420-L424 PolarHBondContact O-N 3.25Å; E421-L424 PolarHBondContact O-N 3.43Å; Q422-L424 VanDerWaalsContact C-N 3.31Å; Q422-L424 PolarHBondContact O-N 3.15Å; L424-R427 CarbonylContact O-C 3.56Å; L424-R427 PolarHBondContact O-N 3.03Å; L424-S428 WeakPolarHBondContact O-CB 3.32Å; L424-S428 PolarHBondContact O-N 3.26Å
425Q76.9Confident66.5Low125 Ų125101.8 Ų101.858%0.58456%0.563SS**Hα-helixtrans-69.9-31.9177.9-168.466-0.800112.7E421 Q422 R427 S428 G429E421-Q425 VanDerWaalsContact O-CB 3.24Å; E421-Q425 WeakPolarHBondContact O-CB 3.24Å; E421-Q425 PolarHBondContact O-N 3.07Å; Q422-Q425 CarbonylContact O-C 3.55Å; Q422-Q425 PolarHBondContact O-N 3.15Å; Q422-Q425 VanDerWaalsContact O-N 3.12Å; Q425-R427 VanDerWaalsContact C-N 3.32Å; Q425-S428 PolarHBondContact O-N 3.41Å; Q425-G429 WeakPolarHBondContact O-CA 3.4Å; Q425-G429 PolarHBondContact O-N 3.26Å
426E74.6Confident64.1Low101 Ų101103 Ų10347%0.47258%0.575SS.*Hα-helixtrans-70.5-25.5172.6-75.4-172.5-15300113.1Q422Q422-E426 HydrophobicContact CG-CG 4.42Å; Q422-E426 PolarHBondContact NE2-OE1 3.27Å; Q422-E426 WeakPolarHBondContact O-CG 3.28Å; Q422-E426 PolarHBondContact O-N 2.89Å
427R67.7Low61.6Low181 Ų181109.3 Ų109.368%0.68360%0.6SS**Hα-helixtrans-83.1-40.9167.3-92-175169.7-174.4-2.7112.7L423 L424 Q425 R430L423-R427 PolarHBondContact O-N 2.83Å; L424-R427 CarbonylContact O-C 3.56Å; L424-R427 PolarHBondContact O-N 3.03Å; Q425-R427 VanDerWaalsContact C-N 3.32Å; R427-R430 VanDerWaalsContact O-CB 3.27Å; R427-R430 WeakPolarHBondContact O-CB 3.37Å; R427-R430 WeakPolarHBondContact O-CD 3.35Å; R427-R430 WeakPolarHBondContact O-CG 3.32Å; R427-R430 PolarHBondContact O-N 3.42Å
428S57.1Low59.1Low64 Ų64108.1 Ų108.145%0.44860%0.603SS.*Hα-helixtrans-77.4-32.2-174.9-172.20000113.1L424 Q425 R430 V431L424-S428 WeakPolarHBondContact O-CB 3.32Å; L424-S428 PolarHBondContact O-N 3.26Å; Q425-S428 PolarHBondContact O-N 3.41Å; S428-R430 PolarHBondContact O-N 3.47Å; S428-V431 WeakPolarHBondContact O-CB 3.33Å; S428-V431 PolarHBondContact O-N 2.83Å
429G52.5Low56.5Low31 Ų31110.1 Ų110.132%0.3261%0.61SS.*Hα-helixtrans-59.5-17.4172.800000113.8Q425 V431 A432Q425-G429 WeakPolarHBondContact O-CA 3.4Å; Q425-G429 PolarHBondContact O-N 3.26Å; G429-V431 PolarHBondContact O-N 2.78Å; G429-A432 PolarHBondContact O-N 2.9Å
430R50.7Low53.8Low84 Ų84112.5 Ų112.532%0.31763%0.632SS.*Hα-helixtrans-62.6-27.8169.6-55.6179.4-175.7-156.41.3112.5E120 D123 R427 S428E120-R430 IonicContact OE2-CZ 2.86Å; E120-R430 IonicContact OE2-NH1 2.69Å; E120-R430 PolarHBondContact OE2-NH1 3.34Å; E120-R430 VanDerWaalsContact OE2-NH1 3.13Å; E120-R430 IonicContact OE2-NH2 3.51Å; E120-R430 PolarHBondContact OE2-NH2 2.75Å; D123-R430 WeakPolarHBondContact OD2-CB 3.18Å; R427-R430 VanDerWaalsContact O-CB 3.27Å; R427-R430 WeakPolarHBondContact O-CB 3.37Å; R427-R430 WeakPolarHBondContact O-CD 3.35Å; R427-R430 WeakPolarHBondContact O-CG 3.32Å; R427-R430 PolarHBondContact O-N 3.42Å; S428-R430 PolarHBondContact O-N 3.47Å
431V47.4Very low51.1Low110 Ų110113.2 Ų113.267%0.66764%0.644SS**Hα-helixtrans-83.2-32.8179.6-174.30000112.4S428 G429S428-V431 WeakPolarHBondContact O-CB 3.33Å; S428-V431 PolarHBondContact O-N 2.83Å; G429-V431 PolarHBondContact O-N 2.78Å
432A35.4Very low48.4Very low73 Ų73111.2 Ų111.260%0.60365%0.652SS**Hα-helixtrans-82.1-30.9-169.500000114.7G429 V434 G435G429-A432 PolarHBondContact O-N 2.9Å; A432-V434 PolarHBondContact O-N 3.28Å; A432-G435 PolarHBondContact O-N 3.03Å
433D35.8Very low45.7Very low151 Ų151114.6 Ų114.681%0.80767%0.665SS**THydrogen-bonded Turntrans-776.8-168.2-157.439.3000114.9
434V43Very low43.1Very low110 Ų110117.8 Ų117.867%0.66768%0.677SS**THydrogen-bonded Turntrans-101-9.3175.2-171.80000112A432A432-V434 PolarHBondContact O-N 3.28Å
435G36Very low40.5Very low72 Ų72121.8 Ų121.874%0.74269%0.69SS**SBendtrans-89.2-12.7-171.400000117.6A432A432-G435 PolarHBondContact O-N 3.03Å
436S32.2Very low37.9Very low114 Ų114126.7 Ų126.780%0.79770%0.704SS**SBendtrans-123.416.1-159.4-152.20000117.4
437E28.9Very low36.1Very low205 Ų205127.1 Ų127.196%0.95872%0.715SS**SBendtrans-117.778.7168.1-71.8-148.2144.900111.6
438G30.4Very low34Very low72 Ų72124 Ų12474%0.74272%0.716SS**  trans-162.64.5-173.700000119.7
439F27Very low32.5Very low194 Ų194129 Ų12985%0.85173%0.732SS**  trans-149.281.1178.8-142.4-96.5000116.9
440S25.5Very low31.2Very low123 Ų123136.7 Ų136.786%0.8676%0.759SS**  trans-119.975.4165.245.10000112.5
441S24.5Very low30Very low105 Ų105137.6 Ų137.673%0.73479%0.785SS**  trans22.6116.7150.7-68.70000120.1
442A25.4Very low29Very low101 Ų101137.7 Ų137.784%0.83580%0.797SS**  trans-145.7131.5149.400000114
443K27.3Very low28.5Very low183 Ų183138 Ų13880%0.79681%0.808SS**  trans78.197.4163.1-70.2-176172.2174.10122
444Q26.9Very low28.1Very low168 Ų168139.8 Ų139.879%0.78581%0.808SS**  66.6103.7117.4-69.6174.3-60.400121.5
445K24.3Very low27.3Very low190 Ų190144 Ų14483%0.82682%0.821SS**  21.3131.6114.2-79.5174.8-178.31710116.1
446R23.9Very low26.8Very low229 Ų229148.8 Ų148.886%0.86482%0.824SS**  cis-167.8-172.643.5-122.9-175.2-174.7174.31.7110.6
447P35.3Very low26.6Very low109 Ų109152.7 Ų152.771%0.70883%0.829SS**  trans-112.5-178.7-141.238.4-20.5000114.9
448V24.4Very low26.6Very low116 Ų116152.3 Ų152.370%0.70383%0.828SS**  165.8138.3126.8154.20000113.2
449E24.9Very low26.3Very low169 Ų169155.5 Ų155.579%0.7983%0.828SS**  trans55122.5155.8-74151.1-151.300125.6
450Q25.1Very low26.4Very low192 Ų192152.4 Ų152.490%0.89783%0.825SS**  trans-5.9131.4140.6-62.7171.4-13.200119.8
451A25.8Very low26.5Very low104 Ų104154.9 Ų154.986%0.8682%0.82SS**  -153.5143.3128.400000109.9
452A26.1Very low26.7Very low111 Ų111158.7 Ų158.792%0.91783%0.826SS**  trans-91.6141.7177.200000111.3
453G26.5Very low26.9Very low80 Ų80162.4 Ų162.483%0.82583%0.826SS**  trans-159.5120.7169.300000108.7
454K26.2Very low27.4Very low189 Ų189162.4 Ų162.482%0.82283%0.829SS**  trans-83.6141.6171.7-68.5-178.6169.2-163.10108.9
455E26.3Very low27.8Very low198 Ų198157.6 Ų157.693%0.92582%0.818SS**  trans-147.5144.5143.5-109.9153.9-142.400107.5
456E26.8Very low28.2Very low173 Ų173151.7 Ų151.781%0.80881%0.812SS**  trans-102.6121.2-172.2-68167.7173.500108.7
457E26.3Very low29Very low195 Ų195151.4 Ų151.491%0.91181%0.812SS**  trans-132.9130.9159.1-72.9-165.7145.600109D459E457-D459 PolarHBondContact O-N 2.81Å
458E29.1Very low29.6Very low197 Ų197148.8 Ų148.892%0.92180%0.797SS**  trans-76.596.9175.8-70.4179.7124.500109.7T460E458-T460 PolarHBondContact O-N 2.72Å
459D24.5Very low30.5Very low139 Ų139150.3 Ų150.374%0.74380%0.8SS**  trans-90.1101.2169.9-128.6-0.6000108.9E457 K461E457-D459 PolarHBondContact O-N 2.81Å; D459-K461 VanDerWaalsContact C-N 3.27Å; D459-K461 PolarHBondContact O-N 3.44Å
460T28.5Very low31.6Very low129 Ų129147.1 Ų147.179%0.79179%0.792SS**  trans-65.688.8168.345.90000109.2E458 E462E458-T460 PolarHBondContact O-N 2.72Å; T460-E462 PolarHBondContact O-N 3.3Å
461K27.9Very low32.8Very low176 Ų176140.9 Ų140.977%0.76577%0.773SS**  trans-71.498.4169-72.4-176.8178.7178.10109.2D459 E463D459-K461 VanDerWaalsContact C-N 3.27Å; D459-K461 PolarHBondContact O-N 3.44Å; K461-E463 PolarHBondContact O-N 3.12Å; K461-E463 VanDerWaalsContact O-N 3.12Å
462E29.4Very low34.1Very low184 Ų184139.3 Ų139.386%0.8675%0.753SS**  trans-54.4111.8153.6-65178.3158.300107.2T460 E464T460-E462 PolarHBondContact O-N 3.3Å; E462-E464 PolarHBondContact O-N 3.07Å; E462-E464 VanDerWaalsContact O-N 3.08Å
463E30.5Very low35.3Very low179 Ų179136.6 Ų136.684%0.83673%0.727SS**  trans-69.2104.8170.9-67.2-170.6150.700107.5K461 A465K461-E463 PolarHBondContact O-N 3.12Å; K461-E463 VanDerWaalsContact O-N 3.12Å; E463-A465 PolarHBondContact O-N 2.85Å
464E37.3Very low36.4Very low183 Ų183136.8 Ų136.886%0.85571%0.706SS**  trans-6281.7158.7-85.1-167.7140.800107.5E462 G466E462-E464 PolarHBondContact O-N 3.07Å; E462-E464 VanDerWaalsContact O-N 3.08Å; E464-G466 VanDerWaalsContact C-N 3.32Å; E464-G466 PolarHBondContact O-N 3.34Å
465A33.7Very low38.1Very low67 Ų67129.5 Ų129.555%0.55469%0.685SS**  trans-68.788.8-179.600000109.5E463 Y467E463-A465 PolarHBondContact O-N 2.85Å; A465-Y467 PolarHBondContact O-N 3.18Å
466G34.5Very low39.2Very low67 Ų67126.4 Ų126.469%0.69167%0.672SS**  trans-57.4111.8162.800000108.7E464 S468E464-G466 VanDerWaalsContact C-N 3.32Å; E464-G466 PolarHBondContact O-N 3.34Å; G466-S468 VanDerWaalsContact C-N 3.29Å; G466-S468 PolarHBondContact O-N 2.83Å
467Y39.8Very low40.5Very low222 Ų222123.9 Ų123.987%0.87166%0.659SS**  trans-63.886.4-178.8-73.4-88.3000111A465A465-Y467 PolarHBondContact O-N 3.18Å
468S48.4Very low42.2Very low55 Ų55118.6 Ų118.639%0.38564%0.636SS.*  trans-81.5127.1171.2176.10000109.5G466 V470 A471 V472G466-S468 VanDerWaalsContact C-N 3.29Å; G466-S468 PolarHBondContact O-N 2.83Å; S468-V470 PolarHBondContact O-N 3.49Å; S468-V470 PolarHBondContact OG-N 2.96Å; S468-A471 WeakPolarHBondContact O-CA 2.71Å; S468-A471 WeakPolarHBondContact O-CB 3.17Å; S468-A471 PolarHBondContact O-N 2.98Å; S468-V472 PolarHBondContact O-N 2.87Å
469L43.2Very low43.5Very low147 Ų147117.2 Ų117.277%0.7763%0.628SS**Hα-helixtrans-59.4-27.6174.2-165.969.9000111.9S473L469-S473 WeakPolarHBondContact O-CB 3.28Å; L469-S473 PolarHBondContact O-N 3.25Å; L469-S473 PolarHBondContact O-OG 3.23Å
470V48.8Very low44.9Very low102 Ų102117 Ų11762%0.61863%0.626SS**Hα-helixtrans-67.1-40.2170.7-175.20000110.7S468 S473 Q474S468-V470 PolarHBondContact O-N 3.49Å; S468-V470 PolarHBondContact OG-N 2.96Å; V470-S473 PolarHBondContact O-OG 2.87Å; V470-Q474 WeakPolarHBondContact O-CB 3.33Å; V470-Q474 PolarHBondContact O-N 2.97Å
471A49.8Very low46.3Very low62 Ų62116.8 Ų116.851%0.51262%0.62SS.*Hα-helixtrans-70.3-33.3176.200000112.7S468 G475S468-A471 WeakPolarHBondContact O-CA 2.71Å; S468-A471 WeakPolarHBondContact O-CB 3.17Å; S468-A471 PolarHBondContact O-N 2.98Å; A471-G475 WeakPolarHBondContact O-CA 3.41Å; A471-G475 PolarHBondContact O-N 3.16Å
472V52.5Low47.4Very low71 Ų71111.9 Ų111.943%0.4361%0.612SS.*Hα-helixtrans-70.6-48174.8178.50000111.2S468 Q474 G475 M476S468-V472 PolarHBondContact O-N 2.87Å; V472-Q474 VanDerWaalsContact C-N 3.34Å; V472-Q474 PolarHBondContact O-N 3.18Å; V472-G475 PolarHBondContact O-N 3.25Å; V472-M476 WeakPolarHBondContact O-CG 3.5Å; V472-M476 PolarHBondContact O-N 2.77Å
473S51.7Low48.1Very low53 Ų53110.8 Ų110.837%0.37161%0.609SS.*Hα-helixtrans-68.5-32.5177.556.70000112.7L469 V470 K477L469-S473 WeakPolarHBondContact O-CB 3.28Å; L469-S473 PolarHBondContact O-N 3.25Å; L469-S473 PolarHBondContact O-OG 3.23Å; V470-S473 PolarHBondContact O-OG 2.87Å; S473-K477 WeakPolarHBondContact O-CB 3.35Å; S473-K477 VanDerWaalsContact O-CG 3.3Å; S473-K477 WeakPolarHBondContact O-CG 3.3Å; S473-K477 PolarHBondContact O-N 2.92Å
474Q49.6Very low48.8Very low84 Ų84106.8 Ų106.839%0.39360%0.6SS.*Hα-helixtrans-70.2-42169.8-166.862.241.100111V470 V472 M476 K477 D478V470-Q474 WeakPolarHBondContact O-CB 3.33Å; V470-Q474 PolarHBondContact O-N 2.97Å; V472-Q474 VanDerWaalsContact C-N 3.34Å; V472-Q474 PolarHBondContact O-N 3.18Å; Q474-M476 PolarHBondContact O-N 3.11Å; Q474-K477 CarbonylContact O-C 3.52Å; Q474-K477 WeakPolarHBondContact O-CB 3.25Å; Q474-K477 PolarHBondContact O-N 3.04Å; Q474-K477 VanDerWaalsContact O-N 3.12Å; Q474-D478 PolarHBondContact NE2-OD1 3.07Å; Q474-D478 WeakPolarHBondContact O-CB 3.34Å; Q474-D478 PolarHBondContact O-N 3.24Å
475G61.8Low49.1Very low36 Ų36103.5 Ų103.537%0.37160%0.598SS.*Hα-helixtrans-61.9-39.2175.200000113.3A471 V472 D478 F479A471-G475 WeakPolarHBondContact O-CA 3.41Å; A471-G475 PolarHBondContact O-N 3.16Å; V472-G475 PolarHBondContact O-N 3.25Å; G475-D478 PolarHBondContact O-N 3.3Å; G475-F479 VanDerWaalsContact O-CB 3.24Å; G475-F479 WeakPolarHBondContact O-CB 3.42Å; G475-F479 PolarHBondContact O-N 3.01Å
476M49.4Very low49.7Very low133 Ų133108.3 Ų108.366%0.65561%0.608SS**Hα-helixtrans-66.6-40.1171.2-71.5-177.286.300111.9V472 Q474 L480V472-M476 WeakPolarHBondContact O-CG 3.5Å; V472-M476 PolarHBondContact O-N 2.77Å; Q474-M476 PolarHBondContact O-N 3.11Å; M476-L480 WeakPolarHBondContact O-CB 3.39Å; M476-L480 PolarHBondContact O-N 3.46Å
477K54.8Low50Low121 Ų121113.3 Ų113.353%0.52661%0.614SS.*Hα-helixtrans-64.9-41.8173.6-78.1170.9-179.9171.80112S473 Q474 L480 N481S473-K477 WeakPolarHBondContact O-CB 3.35Å; S473-K477 VanDerWaalsContact O-CG 3.3Å; S473-K477 WeakPolarHBondContact O-CG 3.3Å; S473-K477 PolarHBondContact O-N 2.92Å; Q474-K477 CarbonylContact O-C 3.52Å; Q474-K477 WeakPolarHBondContact O-CB 3.25Å; Q474-K477 PolarHBondContact O-N 3.04Å; Q474-K477 VanDerWaalsContact O-N 3.12Å; K477-L480 PolarHBondContact O-N 3.27Å; K477-N481 WeakPolarHBondContact O-CB 3.49Å; K477-N481 PolarHBondContact O-N 3.06Å; K477-N481 PolarHBondContact O-ND2 2.93Å
478D60.4Low50.1Low83 Ų83105.4 Ų105.444%0.44460%0.6SS.*Hα-helixtrans-71-34.9-179.3-66.7-12.5000110.5Q474 G475 A482Q474-D478 PolarHBondContact NE2-OD1 3.07Å; Q474-D478 WeakPolarHBondContact O-CB 3.34Å; Q474-D478 PolarHBondContact O-N 3.24Å; G475-D478 PolarHBondContact O-N 3.3Å; D478-A482 WeakPolarHBondContact O-CB 3.19Å; D478-A482 PolarHBondContact O-N 2.93Å
479F56.7Low49.5Very low169 Ų169107.5 Ų107.574%0.74162%0.621SS**Hα-helixtrans-64.9-43.8168.6179.5-98.6000112.4G475 N481 A482G475-F479 VanDerWaalsContact O-CB 3.24Å; G475-F479 WeakPolarHBondContact O-CB 3.42Å; G475-F479 PolarHBondContact O-N 3.01Å; F479-N481 VanDerWaalsContact C-N 3.33Å; F479-A482 PolarHBondContact O-N 2.9Å
480L54.2Low49.4Very low135 Ų135109.4 Ų109.471%0.70763%0.626SS**Hα-helixtrans-68.1-33.6177.2-144.496.5000112.3M476 K477M476-L480 WeakPolarHBondContact O-CB 3.39Å; M476-L480 PolarHBondContact O-N 3.46Å; K477-L480 PolarHBondContact O-N 3.27Å
481N57.4Low48.9Very low124 Ų124110.6 Ų110.666%0.66363%0.633SS**Hα-helixtrans-82.3-19.4176.7-69.7-32.1000112.6K477 F479 M483K477-N481 WeakPolarHBondContact O-CB 3.49Å; K477-N481 PolarHBondContact O-N 3.06Å; K477-N481 PolarHBondContact O-ND2 2.93Å; F479-N481 VanDerWaalsContact C-N 3.33Å; N481-M483 PolarHBondContact O-N 3.31Å
482A51.6Low48.2Very low73 Ų73112.9 Ų112.960%0.60364%0.643SS**SBendtrans-74.250169.600000111.5D478 F479 S484D478-A482 WeakPolarHBondContact O-CB 3.19Å; D478-A482 PolarHBondContact O-N 2.93Å; F479-A482 PolarHBondContact O-N 2.9Å; A482-S484 PolarHBondContact O-N 2.94Å; A482-S484 VanDerWaalsContact O-N 3.08Å
483M45Very low47.5Very low161 Ų161120.9 Ų120.979%0.79367%0.666SS**  trans-63.9109.2172.1-86.9-86.7-104.100110.3N481 S485N481-M483 PolarHBondContact O-N 3.31Å; M483-S485 PolarHBondContact O-N 3.09Å
484S43.4Very low46.6Very low94 Ų94124.1 Ų124.166%0.65769%0.688SS**  trans28.291.2137.8-168.50000115.1A482 H486A482-S484 PolarHBondContact O-N 2.94Å; A482-S484 VanDerWaalsContact O-N 3.08Å; S484-H486 PolarHBondContact O-N 3.44Å; S484-H486 VanDerWaalsContact O-N 3.13Å
485S44.7Very low46Very low115 Ų115127.1 Ų127.180%0.80471%0.706SS**  trans-66.9110164.357.40000109.6M483M483-S485 PolarHBondContact O-N 3.09Å
486H46.4Very low45Very low167 Ų167134.2 Ų134.277%0.77373%0.73SS**SBendtrans46.5131148.4170.6-70.5000118.5S484S484-H486 PolarHBondContact O-N 3.44Å; S484-H486 VanDerWaalsContact O-N 3.13Å
487E40Very low44.6Very low173 Ų173134.3 Ų134.381%0.80873%0.731SS**  trans77.864.5-174.2-151.4155.4-148.600111.5
488G42.6Very low44Very low56 Ų56136.5 Ų136.558%0.57774%0.743SS**PPolyproline II helixtrans-59141.6168.400000110.4E490G488-E490 PolarHBondContact O-N 3.21Å; G488-E490 VanDerWaalsContact O-N 3.13Å
489A35.3Very low43.2Very low99 Ų99138 Ų13882%0.81876%0.758SS**PPolyproline II helixtrans-53.8119.5-178.500000110.8T491A489-T491 PolarHBondContact O-N 2.92Å
490E41.3Very low42.6Very low187 Ų187138.5 Ų138.587%0.87476%0.76SS**PPolyproline II helixtrans-57.1120.7172.6-64.1-171.9148.700108.8G488 P492G488-E490 PolarHBondContact O-N 3.21Å; G488-E490 VanDerWaalsContact O-N 3.13Å; E490-P492 WeakPolarHBondContact O-CD 3.24Å
491T38.2Very low42.3Very low126 Ų126137.1 Ų137.177%0.77376%0.762SS**  trans-72.1115.3171.345.70000108.6A489 W493A489-T491 PolarHBondContact O-N 2.92Å; T491-W493 VanDerWaalsContact C-N 3.26Å; T491-W493 PolarHBondContact O-N 3.44Å
492P35.2Very low41.8Very low110 Ų110137.2 Ų137.271%0.71476%0.756SS**SBendtrans-75.191.3167.87.410.9000106.4E490E490-P492 WeakPolarHBondContact O-CD 3.24Å
493W37.4Very low42.4Very low240 Ų240138.1 Ų138.191%0.90975%0.751SS**SBend172.4122.3121.9-73.9-10.5000109.5T491T491-W493 VanDerWaalsContact C-N 3.26Å; T491-W493 PolarHBondContact O-N 3.44Å
494S32.9Very low43.1Very low121 Ų121134.5 Ų134.585%0.84674%0.739SS**  trans-66130.2-173.843.10000112.8
495L36.3Very low44.3Very low146 Ų146131.8 Ų131.876%0.76473%0.726SS**  trans-57.3130.5172.4-74.4157.7000112.7I497L495-I497 HydrophobicContact CB-CD1 4.39Å; L495-I497 HydrophobicContact CB-CG1 4.1Å; L495-I497 HydrophobicContact CD1-CD1 4.02Å; L495-I497 HydrophobicContact CD1-CG1 4.31Å; L495-I497 HydrophobicContact CD2-CG1 4.22Å; L495-I497 HydrophobicContact CG-CG1 4.45Å
496Q41Very low45.3Very low186 Ų186129.9 Ų129.987%0.86971%0.713SS**  trans-95.988.8143.7-76.2-170.1-10.500108.2Q498Q496-Q498 PolarHBondContact O-N 2.76Å; Q496-Q498 VanDerWaalsContact O-N 3.09Å
497I40.8Very low45.9Very low135 Ų135126.7 Ų126.769%0.69270%0.699SS**  trans-68.9103.9164.9-67.7154.9000107.2L495L495-I497 HydrophobicContact CB-CD1 4.39Å; L495-I497 HydrophobicContact CB-CG1 4.1Å; L495-I497 HydrophobicContact CD1-CD1 4.02Å; L495-I497 HydrophobicContact CD1-CG1 4.31Å; L495-I497 HydrophobicContact CD2-CG1 4.22Å; L495-I497 HydrophobicContact CG-CG1 4.45Å
498Q43.3Very low47Very low167 Ų167121.1 Ų121.178%0.7868%0.683SS**  trans-77.2143.6148.5-74.2-1640.500108.5Q496 F500Q496-Q498 PolarHBondContact O-N 2.76Å; Q496-Q498 VanDerWaalsContact O-N 3.09Å; Q498-F500 PolarHBondContact O-N 2.93Å
499P42.8Very low48Very low115 Ų115123.8 Ų123.875%0.74768%0.684SS**  trans-63126.3174.727-33.4000109.7S501P499-S501 PolarHBondContact O-N 2.94Å
500F44.3Very low49.5Very low179 Ų179122 Ų12279%0.78567%0.669SS**  trans-59.6107.7177.3176.7-97.1000110.5Q498 F502Q498-F500 PolarHBondContact O-N 2.93Å; F500-F502 HydrophobicContact CE1-CB 3.98Å; F500-F502 HydrophobicContact CE1-CD2 4.14Å; F500-F502 HydrophobicContact CZ-CD2 4.17Å
501S47.5Very low50.4Low106 Ų106117.3 Ų117.374%0.74165%0.65SS**  trans-95.7109.8171.459.40000109.5P499 D503P499-S501 PolarHBondContact O-N 2.94Å; S501-D503 PolarHBondContact O-N 2.83Å
502F48.3Very low51.5Low126 Ų126115.8 Ų115.855%0.55364%0.637SS**  trans-74104.9173.2-173.4-98.3000109.6F500 P504 M507F500-F502 HydrophobicContact CE1-CB 3.98Å; F500-F502 HydrophobicContact CE1-CD2 4.14Å; F500-F502 HydrophobicContact CZ-CD2 4.17Å; F502-P504 HydrophobicContact CD1-CG 4.14Å; F502-P504 HydrophobicContact CE1-CB 4.48Å; F502-P504 HydrophobicContact CE1-CG 3.97Å; F502-M507 HydrophobicContact CE2-CE 3.72Å; F502-M507 HydrophobicContact CE2-SD 3.91Å; F502-M507 HydrophobicContact CZ-CE 4.44Å; F502-M507 HydrophobicContact CZ-SD 4.03Å
503D63Low53Low92 Ų92119.5 Ų119.549%0.49264%0.642SS.*  trans-99.1111.1168.2173.435.3000109.8S501 G505 S506 M507S501-D503 PolarHBondContact O-N 2.83Å; D503-G505 PolarHBondContact O-N 2.64Å; D503-G505 PolarHBondContact OD1-N 2.83Å; D503-G505 VanDerWaalsContact OD1-N 3.16Å; D503-S506 PolarHBondContact O-N 2.83Å; D503-S506 VanDerWaalsContact OD2-CB 3.29Å; D503-S506 WeakPolarHBondContact OD2-CB 3.37Å; D503-S506 PolarHBondContact OD2-N 2.78Å; D503-M507 PolarHBondContact O-N 2.79Å
504P59.9Low53.7Low84 Ų84115.3 Ų115.355%0.54564%0.636SS.*Hα-helixtrans-59.2-30.6177.6-22.633.2000113.4F502 M507 A508F502-P504 HydrophobicContact CD1-CG 4.14Å; F502-P504 HydrophobicContact CE1-CB 4.48Å; F502-P504 HydrophobicContact CE1-CG 3.97Å; P504-M507 PolarHBondContact O-N 3.32Å; P504-A508 PolarHBondContact O-N 3.11Å
505G69.2Low54.9Low37 Ų37115.4 Ų115.438%0.38163%0.627SS.*Hα-helixtrans-68.4-44.8-179.200000112.8D503 M507 A508 N509D503-G505 PolarHBondContact O-N 2.64Å; D503-G505 PolarHBondContact OD1-N 2.83Å; D503-G505 VanDerWaalsContact OD1-N 3.16Å; G505-M507 VanDerWaalsContact C-N 3.32Å; G505-M507 PolarHBondContact O-N 3.26Å; G505-A508 PolarHBondContact O-N 2.91Å; G505-N509 PolarHBondContact O-N 2.71Å
506S65.8Low55.6Low75 Ų75111 Ų11152%0.52462%0.617SS.*Hα-helixtrans-61.7-37.6174.3-171.90000112.8D503 A510D503-S506 PolarHBondContact O-N 2.83Å; D503-S506 VanDerWaalsContact OD2-CB 3.29Å; D503-S506 WeakPolarHBondContact OD2-CB 3.37Å; D503-S506 PolarHBondContact OD2-N 2.78Å; S506-A510 WeakPolarHBondContact O-CB 3.47Å; S506-A510 PolarHBondContact O-N 2.79Å
507M58.8Low55.8Low100 Ų100105.3 Ų105.349%0.49361%0.608SS.*Hα-helixtrans-68.8-42.3176.1-177.5168-78.300112.2F502 D503 P504 G505 A510 L511F502-M507 HydrophobicContact CE2-CE 3.72Å; F502-M507 HydrophobicContact CE2-SD 3.91Å; F502-M507 HydrophobicContact CZ-CE 4.44Å; F502-M507 HydrophobicContact CZ-SD 4.03Å; D503-M507 PolarHBondContact O-N 2.79Å; P504-M507 PolarHBondContact O-N 3.32Å; G505-M507 VanDerWaalsContact C-N 3.32Å; G505-M507 PolarHBondContact O-N 3.26Å; M507-A510 PolarHBondContact O-N 2.82Å; M507-L511 HydrophobicContact CG-CD1 4.34Å; M507-L511 PolarHBondContact O-N 2.84Å
508A62.6Low55.9Low57 Ų57107 Ų10747%0.47161%0.61SS.*Hα-helixtrans-61-46.9174.700000111.8P504 G505 A510 L511 D512P504-A508 PolarHBondContact O-N 3.11Å; G505-A508 PolarHBondContact O-N 2.91Å; A508-A510 VanDerWaalsContact C-N 3.29Å; A508-A510 PolarHBondContact O-N 2.97Å; A508-L511 PolarHBondContact O-N 2.96Å; A508-D512 WeakPolarHBondContact O-CB 3.36Å; A508-D512 PolarHBondContact O-N 2.85Å
509N64.6Low56Low112 Ų112108.3 Ų108.360%0.59962%0.616SS**Hα-helixtrans-64.6-29.1176.4-83.3-16.9000113.8G505 K513G505-N509 PolarHBondContact O-N 2.71Å; N509-K513 PolarHBondContact O-N 2.8Å
510A66.6Low55.8Low60 Ų60110.1 Ų110.150%0.49661%0.614SS.*Hα-helixtrans-72.2-39.5174.400000111.6S506 M507 A508 L514S506-A510 WeakPolarHBondContact O-CB 3.47Å; S506-A510 PolarHBondContact O-N 2.79Å; M507-A510 PolarHBondContact O-N 2.82Å; A508-A510 VanDerWaalsContact C-N 3.29Å; A508-A510 PolarHBondContact O-N 2.97Å; A510-L514 PolarHBondContact O-N 2.95Å; A510-L514 VanDerWaalsContact O-N 3.15Å
511L59.5Low55.6Low89 Ų89110.5 Ų110.547%0.46662%0.619SS.*Hα-helixtrans-65.3-43.7172.3-92.1152.8000112M507 A508 K513 L514 L515M507-L511 HydrophobicContact CG-CD1 4.34Å; M507-L511 PolarHBondContact O-N 2.84Å; A508-L511 PolarHBondContact O-N 2.96Å; L511-K513 VanDerWaalsContact C-N 3.31Å; L511-K513 PolarHBondContact O-N 3.2Å; L511-L514 CarbonylContact O-C 3.55Å; L511-L514 WeakPolarHBondContact O-CA 3.41Å; L511-L514 WeakPolarHBondContact O-CB 3.36Å; L511-L514 PolarHBondContact O-N 2.86Å; L511-L515 HydrophobicContact CB-CD1 4.47Å; L511-L515 HydrophobicContact CD2-CD1 4.05Å; L511-L515 WeakPolarHBondContact O-CB 3.42Å; L511-L515 WeakPolarHBondContact O-CG 3.14Å; L511-L515 PolarHBondContact O-N 2.9Å
512D62.3Low55.1Low95 Ų95112.9 Ų112.951%0.50862%0.622SS.*Hα-helixtrans-61.9-37.4178.6-161.457.9000112.2A508 G516A508-D512 WeakPolarHBondContact O-CB 3.36Å; A508-D512 PolarHBondContact O-N 2.85Å; D512-G516 PolarHBondContact O-N 2.84Å
513K65.9Low54.4Low188 Ų188114.2 Ų114.282%0.81764%0.635SS**Hα-helixtrans-68.1-29.9169.4-85.1-172170.5-170.50114.4N509 L511N509-K513 PolarHBondContact O-N 2.8Å; L511-K513 VanDerWaalsContact C-N 3.31Å; L511-K513 PolarHBondContact O-N 3.2Å
514L52.7Low53.1Low151 Ų151115 Ų11579%0.79165%0.648SS**Hα-helixtrans-83.1-26.2179.9-145.582000112.2A510 L511A510-L514 PolarHBondContact O-N 2.95Å; A510-L514 VanDerWaalsContact O-N 3.15Å; L511-L514 CarbonylContact O-C 3.55Å; L511-L514 WeakPolarHBondContact O-CA 3.41Å; L511-L514 WeakPolarHBondContact O-CB 3.36Å; L511-L514 PolarHBondContact O-N 2.86Å
515L58.3Low52.3Low124 Ų124118.4 Ų118.465%0.64966%0.662SS**THydrogen-bonded Turntrans-95.24.5-176.8-72164000113.9L511L511-L515 HydrophobicContact CB-CD1 4.47Å; L511-L515 HydrophobicContact CD2-CD1 4.05Å; L511-L515 WeakPolarHBondContact O-CB 3.42Å; L511-L515 WeakPolarHBondContact O-CG 3.14Å; L511-L515 PolarHBondContact O-N 2.9Å
516G50.9Low50.9Low54 Ų54124.1 Ų124.156%0.55768%0.683SS**THydrogen-bonded Turntrans82.737.9160.100000116.4D512 K518D512-G516 PolarHBondContact O-N 2.84Å; G516-K518 PolarHBondContact O-N 2.81Å
517G45.1Very low49.6Very low65 Ų65128.7 Ų128.767%0.6770%0.701SS**  trans-67.59.1174.100000116.3
518K42.9Very low48.7Very low170 Ų170132.2 Ų132.274%0.73972%0.722SS**  trans-140.6115.4174.5-73.8-170173.6-168.20110.6G516 E520G516-K518 PolarHBondContact O-N 2.81Å; K518-E520 PolarHBondContact O-N 2.9Å; K518-E520 VanDerWaalsContact O-N 3.12Å
519E44.3Very low47.6Very low196 Ų196136.6 Ų136.692%0.91674%0.737SS**  trans-71.794.4160.3-64.8174.9167.500107.6
520E38.9Very low46.5Very low152 Ų152137.9 Ų137.971%0.7174%0.744SS**  trans-90.8111.5153.1-76.7-177.7-170.100106.2K518 L522K518-E520 PolarHBondContact O-N 2.9Å; K518-E520 VanDerWaalsContact O-N 3.12Å; E520-L522 PolarHBondContact O-N 3.32Å
521E41.3Very low45.3Very low187 Ų187146.4 Ų146.487%0.87477%0.765SS**  trans-61.8103.1172.5-67.7177.7139.600108.3D523E521-D523 VanDerWaalsContact C-N 3.29Å; E521-D523 PolarHBondContact O-N 3.48Å; E521-D523 VanDerWaalsContact O-N 3.11Å
522L36.3Very low44.3Very low156 Ų156150.4 Ų150.482%0.81779%0.787SS**  trans-81.282.3169.5-70.8173.9000108.4E520 S524E520-L522 PolarHBondContact O-N 3.32Å; L522-S524 PolarHBondContact O-N 2.73Å
523D33.6Very low43.3Very low155 Ų155153.6 Ų153.683%0.82980%0.804SS**  trans-54.5122.4158.1-97.6-22.5000108.2E521E521-D523 VanDerWaalsContact C-N 3.29Å; E521-D523 PolarHBondContact O-N 3.48Å; E521-D523 VanDerWaalsContact O-N 3.11Å
524S36.2Very low42Very low108 Ų108151.4 Ų151.476%0.75580%0.802SS**  trans-132.341.4178.879.10000111.5L522L522-S524 PolarHBondContact O-N 2.73Å
525D42.5Very low41.2Very low156 Ų156151.2 Ų151.283%0.83480%0.801SS**  trans-103.487.5166.3-78.6-7.5000107.7
526D39.5Very low40.2Very low156 Ų156153.1 Ų153.183%0.83481%0.807SS**  trans-154.370177.1-124.7-5.8000110.9
527L38.8Very low39.5Very low172 Ų172158.7 Ų158.790%0.90182%0.819SS**  trans-153.479.4163.1-77.9-172.3000109.6
528D40.1Very low39Very low174 Ų174164 Ų16493%0.9383%0.826SS**  trans-125.9126.3160.8-95.7-35.3000109
529D39.1Very low38.6Very low148 Ų148163.5 Ų163.579%0.79183%0.826SS**  trans-82134.4-175-70.7-46.5000112.4
530D41.5Very low38.1Very low140 Ų140161.2 Ų161.275%0.74982%0.815SS**  trans27.7108.7146.4-59.2-13.2000119.9
531Y41.3Very low37.8Very low238 Ų238161.5 Ų161.593%0.93382%0.817SS**  trans-149.9116.9134.2-82.1-61.4000112.1
532D39.7Very low37.3Very low173 Ų173160.8 Ų160.893%0.92581%0.814SS**  trans-63.5135.6164.7-68.3-51.5000110.8
533D40.5Very low37.2Very low162 Ų162161.7 Ų161.787%0.86681%0.813SS**  trans-148.5145.6137.4-146.5-3.8000109.2
534D38.3Very low37.2Very low143 Ų143160.5 Ų160.577%0.76581%0.812SS**  trans-81.8174.3-167.9-85.5-54.3000113.9
535D36.3Very low37.1Very low146 Ų146159 Ų15978%0.78181%0.806SS**  trans102.7133.6145.6-71-32.9000122.5
536E37.6Very low36.5Very low165 Ų165158.7 Ų158.777%0.77180%0.804SS**  trans87.193.6149-73.2173-163.600122.6
537E35.5Very low36.1Very low171 Ų171159 Ų15980%0.79980%0.801SS**  65.9108.9118.7-66-174.2177.200122.5
538E34.5Very low35.6Very low175 Ų175156.3 Ų156.382%0.81879%0.792SS**  42.1160.3122.4-56.1-162.9151.200124.1
539E34.7Very low35.1Very low161 Ų161156.4 Ų156.475%0.75279%0.786SS**  trans71.7145.2167.4-54.9-172.9173.800116.4
540E33.7Very low34.7Very low147 Ų147158.2 Ų158.269%0.68779%0.79SS**  cis-160.7140.2-12.3-116.4-179.2-177.800109
541E32.8Very low34Very low159 Ų159154.3 Ų154.374%0.74378%0.783SS**  trans56.6158132.3-74.1-164.5170.100126.8
542E31.8Very low33.3Very low172 Ų172148.7 Ų148.780%0.80478%0.779SS**  trans88.9148.1153.6-70.7-103.6131.800121.5
543E33Very low32.8Very low174 Ų174145.6 Ų145.681%0.81377%0.771SS**  trans-98.6179.2-160.8-52.4-177.4155.700113
544V33.2Very low32.4Very low131 Ų131141 Ų14179%0.79476%0.761SS**  156.5138.5112.2169.30000110.1
545A34.4Very low32.3Very low77 Ų77140.7 Ų140.764%0.63677%0.767SS**  trans-81160.8-175.800000115.5
546N30.3Very low32.3Very low149 Ų149138 Ų13880%0.79777%0.765SS**  trans-156.4109.4144.3-92.5-34.6000106.4
547E30.9Very low32.6Very low162 Ų162139.5 Ų139.576%0.75777%0.772SS**  73107.982.2-74.8-162.1176.300114.6
548T28.8Very low33.2Very low116 Ų116138.6 Ų138.671%0.71277%0.77SS**  trans51.6145.8142.6580000120
549E30.3Very low34.1Very low175 Ų175132.7 Ų132.782%0.81875%0.748SS**  cis-166.3167.6-0.4-109.4168.7-175.500105.4
550E29Very low34.9Very low186 Ų186128.7 Ų128.787%0.86974%0.742SS**  cis-155.2176.712.3-155-148.4128.400108.9
551G27Very low36Very low59 Ų59124.9 Ų124.961%0.60874%0.736SS**  trans11085.5142.300000120.9
552S27.9Very low37.2Very low120 Ų120122.7 Ų122.784%0.83973%0.726SS**  trans51.6128136.9-163.90000120.3
553S29.4Very low38.7Very low108 Ų108117.7 Ų117.776%0.75571%0.707SS**  cis-159.1144.610.638.20000109.9
554G30.3Very low40.3Very low64 Ų64114.8 Ų114.866%0.6670%0.696SS**PPolyproline II helixtrans-67.9162.9175.200000113.7A556G554-A556 PolarHBondContact O-N 3.21Å
555P36.9Very low42Very low138 Ų138114 Ų11490%0.89669%0.688SS**PPolyproline II helixtrans-65.8132.1179.928.4-34.1000110.4
556A35.4Very low44Very low90 Ų90113.5 Ų113.574%0.74468%0.68SS**PPolyproline II helixtrans-71.4139.8171.900000110G554 M558G554-A556 PolarHBondContact O-N 3.21Å; A556-M558 PolarHBondContact O-N 2.94Å
557E44.1Very low45.8Very low195 Ų195110.4 Ų110.491%0.91166%0.663SS**  trans-59.7111.1164.2-65.9178.9147.900108S559E557-S559 PolarHBondContact O-N 3.5Å
558M48Very low47.7Very low152 Ų152108.1 Ų108.175%0.74965%0.65SS**  trans-59.8130.7174.6-77.7-175-79.800109.1A556A556-M558 PolarHBondContact O-N 2.94Å
559S54Low50Low52 Ų52104 Ų10436%0.36463%0.631SS.*  trans-71.9149.6-176.769.30000110.7E557 A561 E562 T563E557-S559 PolarHBondContact O-N 3.5Å; S559-A561 PolarHBondContact O-N 3.02Å; S559-E562 WeakPolarHBondContact CB-OE2 3.49Å; S559-E562 PolarHBondContact N-OE2 2.74Å; S559-E562 PolarHBondContact O-N 2.86Å; S559-E562 PolarHBondContact OG-OE2 3.28Å; S559-T563 PolarHBondContact O-N 3.34Å
560A52.1Low51.9Low76 Ų76102.9 Ų102.963%0.62862%0.62SS**Hα-helixtrans-60.5-9.1175.600000114T563 L564A560-T563 PolarHBondContact O-OG1 2.8Å; A560-L564 WeakPolarHBondContact O-CD1 3.37Å; A560-L564 VanDerWaalsContact O-CG 3.24Å; A560-L564 WeakPolarHBondContact O-CG 3.37Å
561A55.6Low53.9Low68 Ų6899.2 Ų99.256%0.56260%0.604SS**Hα-helixtrans-80.6-38.9170.500000112S559 L564 D565S559-A561 PolarHBondContact O-N 3.02Å; A561-L564 PolarHBondContact O-N 3.09Å; A561-D565 PolarHBondContact O-N 2.93Å
562E59.5Low56.1Low113 Ų11399.4 Ų99.453%0.52859%0.591SS.*Hα-helixtrans-71.4-35.4179.7-69.8156.9136.300111.5S559 D565 S566S559-E562 WeakPolarHBondContact CB-OE2 3.49Å; S559-E562 PolarHBondContact N-OE2 2.74Å; S559-E562 PolarHBondContact O-N 2.86Å; S559-E562 PolarHBondContact OG-OE2 3.28Å; E562-D565 PolarHBondContact O-N 2.78Å; E562-S566 WeakPolarHBondContact O-CB 3.43Å; E562-S566 PolarHBondContact O-N 2.86Å
563T63.1Low58.3Low66 Ų6699.1 Ų99.141%0.40558%0.577SS.*Hα-helixtrans-69.3-34173.258.60000112.5S559 A560 L567S559-T563 PolarHBondContact O-N 3.34Å; A560-T563 PolarHBondContact O-OG1 2.8Å; T563-L567 WeakPolarHBondContact O-CB 3.42Å; T563-L567 PolarHBondContact O-N 2.81Å
564L65.6Low60.4Low113 Ų11399.8 Ų99.859%0.59257%0.569SS**Hα-helixtrans-70.1-36.3172.3-76.8173.7000112.7A560 A561 L567 K568A560-L564 WeakPolarHBondContact O-CD1 3.37Å; A560-L564 VanDerWaalsContact O-CG 3.24Å; A560-L564 WeakPolarHBondContact O-CG 3.37Å; A561-L564 PolarHBondContact O-N 3.09Å; L564-L567 HydrophobicContact CD2-CD2 4.45Å; L564-L567 PolarHBondContact O-N 2.86Å; L564-K568 WeakPolarHBondContact O-CB 3.12Å; L564-K568 PolarHBondContact O-N 3.47Å
565D70.6Confident62.3Low115 Ų11599.9 Ų99.962%0.61556%0.555SS**Hα-helixtrans-71.3-36.7176.7-140.834.6000111.1A561 E562 K568 G569A561-D565 PolarHBondContact O-N 2.93Å; E562-D565 PolarHBondContact O-N 2.78Å; D565-K568 PolarHBondContact O-N 3.06Å; D565-G569 PolarHBondContact O-N 3.48Å
566S74.5Confident64Low66 Ų6698 Ų9846%0.46253%0.534SS..Hα-helixtrans-61-49.2168.7-179.50000112E562 K568 G569 Y570E562-S566 WeakPolarHBondContact O-CB 3.43Å; E562-S566 PolarHBondContact O-N 2.86Å; S566-K568 VanDerWaalsContact C-N 3.3Å; S566-K568 PolarHBondContact O-N 3.09Å; S566-G569 PolarHBondContact O-N 2.87Å; S566-G569 VanDerWaalsContact O-N 3.14Å; S566-Y570 VanDerWaalsContact O-CD2 3.29Å; S566-Y570 WeakPolarHBondContact O-CD2 3.44Å; S566-Y570 PolarHBondContact O-N 3.07Å
567L67.9Low65.8Low84 Ų8498.2 Ų98.244%0.4452%0.52SS..Hα-helixtrans-58.6-41.9175.8179.264.8000111.7T563 L564 Y570 M571T563-L567 WeakPolarHBondContact O-CB 3.42Å; T563-L567 PolarHBondContact O-N 2.81Å; L564-L567 HydrophobicContact CD2-CD2 4.45Å; L564-L567 PolarHBondContact O-N 2.86Å; L567-Y570 PolarHBondContact O-N 3.22Å; L567-M571 HydrophobicContact CG-SD 4.4Å; L567-M571 WeakPolarHBondContact O-CG 3.42Å; L567-M571 PolarHBondContact O-N 2.75Å
568K71.6Confident67.4Low115 Ų11591.8 Ų91.850%0.549%0.491SS..Hα-helixtrans-62-45.1175.6-171.8-170.3168.6-158.30111.1L564 D565 S566 Y570 M571 D572L564-K568 WeakPolarHBondContact O-CB 3.12Å; L564-K568 PolarHBondContact O-N 3.47Å; D565-K568 PolarHBondContact O-N 3.06Å; S566-K568 VanDerWaalsContact C-N 3.3Å; S566-K568 PolarHBondContact O-N 3.09Å; K568-Y570 VanDerWaalsContact C-N 3.28Å; K568-Y570 PolarHBondContact O-N 3.2Å; K568-M571 PolarHBondContact O-N 3.05Å; K568-M571 VanDerWaalsContact O-N 3.08Å; K568-D572 WeakPolarHBondContact O-CB 3.32Å; K568-D572 VanDerWaalsContact O-CG 3.25Å; K568-D572 PolarHBondContact O-N 2.9Å
569G76.6Confident68.5Low29 Ų2987.2 Ų87.230%0.29947%0.468SS..Hα-helixtrans-58.1-37.3173.800000113.5D565 S566 Q573D565-G569 PolarHBondContact O-N 3.48Å; S566-G569 PolarHBondContact O-N 2.87Å; S566-G569 VanDerWaalsContact O-N 3.14Å; G569-Q573 WeakPolarHBondContact O-CB 3.46Å; G569-Q573 VanDerWaalsContact O-CG 3.27Å; G569-Q573 WeakPolarHBondContact O-CG 3.45Å; G569-Q573 PolarHBondContact O-N 3.13Å
570Y70.5Confident69Low151 Ų15188.9 Ų88.959%0.59248%0.479SS*.Hα-helixtrans-68.3-38.1172.4-82.3-68.1000113.3S566 L567 K568 M574S566-Y570 VanDerWaalsContact O-CD2 3.29Å; S566-Y570 WeakPolarHBondContact O-CD2 3.44Å; S566-Y570 PolarHBondContact O-N 3.07Å; L567-Y570 PolarHBondContact O-N 3.22Å; K568-Y570 VanDerWaalsContact C-N 3.28Å; K568-Y570 PolarHBondContact O-N 3.2Å; Y570-M574 WeakPolarHBondContact O-CB 3.29Å; Y570-M574 PolarHBondContact O-N 3.09Å
571M71.4Confident69.8Low110 Ų11087.8 Ų87.854%0.54247%0.465SS..Hα-helixtrans-66.5-45.8174.7-68.8177.466.400111.3L567 K568 Q573 M574 D575L567-M571 HydrophobicContact CG-SD 4.4Å; L567-M571 WeakPolarHBondContact O-CG 3.42Å; L567-M571 PolarHBondContact O-N 2.75Å; K568-M571 PolarHBondContact O-N 3.05Å; K568-M571 VanDerWaalsContact O-N 3.08Å; M571-Q573 VanDerWaalsContact C-N 3.29Å; M571-Q573 PolarHBondContact O-N 2.91Å; M571-M574 PolarHBondContact O-N 3.34Å; M571-M574 VanDerWaalsContact O-N 3.13Å; M571-D575 PolarHBondContact O-N 3.35Å
572D73.4Confident70Confident62 Ų6290.2 Ų90.233%0.33247%0.469SS..Hα-helixtrans-61.1-37.9177.5-65.8-21.3000111.1K568 Q576 I618K568-D572 WeakPolarHBondContact O-CB 3.32Å; K568-D572 VanDerWaalsContact O-CG 3.25Å; K568-D572 PolarHBondContact O-N 2.9Å; D572-Q576 WeakPolarHBondContact O-CB 3.34Å; D572-Q576 PolarHBondContact O-N 2.79Å; D572-I618 HydrophobicContact CB-CD1 4.28Å
573Q74.4Confident70.5Confident114 Ų11488.5 Ų88.553%0.53347%0.466SS..Hα-helixtrans-66.6-44.3171.9-76.1174.420.800112.5G569 M571 D575 Q576 E577G569-Q573 WeakPolarHBondContact O-CB 3.46Å; G569-Q573 VanDerWaalsContact O-CG 3.27Å; G569-Q573 WeakPolarHBondContact O-CG 3.45Å; G569-Q573 PolarHBondContact O-N 3.13Å; M571-Q573 VanDerWaalsContact C-N 3.29Å; M571-Q573 PolarHBondContact O-N 2.91Å; Q573-D575 PolarHBondContact O-N 2.71Å; Q573-Q576 PolarHBondContact O-N 2.96Å; Q573-E577 WeakPolarHBondContact O-CG 3.33Å; Q573-E577 PolarHBondContact O-N 3.28Å
574M72.4Confident70.7Confident122 Ų12286.1 Ų86.160%0.60145%0.454SS*.Hα-helixtrans-61-44.6177.8-175.7179.4-64.700111.6Y570 M571 E577 L578Y570-M574 WeakPolarHBondContact O-CB 3.29Å; Y570-M574 PolarHBondContact O-N 3.09Å; M571-M574 PolarHBondContact O-N 3.34Å; M571-M574 VanDerWaalsContact O-N 3.13Å; M574-E577 PolarHBondContact O-N 3.03Å; M574-L578 HydrophobicContact CG-CD1 4.02Å; M574-L578 WeakPolarHBondContact O-CB 3.31Å; M574-L578 VanDerWaalsContact O-CG 3.29Å; M574-L578 WeakPolarHBondContact O-CG 3.35Å; M574-L578 PolarHBondContact O-N 2.98Å
575D71.4Confident70.8Confident67 Ų6786.6 Ų86.636%0.35845%0.452SS..Hα-helixtrans-65-39.4176.3-79.9-18.2000111.5M571 Q573 E577 L578 Q579M571-D575 PolarHBondContact O-N 3.35Å; Q573-D575 PolarHBondContact O-N 2.71Å; D575-E577 VanDerWaalsContact C-N 3.34Å; D575-E577 PolarHBondContact O-N 2.92Å; D575-L578 PolarHBondContact O-N 2.81Å; D575-Q579 VanDerWaalsContact O-CG 3.25Å; D575-Q579 WeakPolarHBondContact O-CG 3.48Å; D575-Q579 PolarHBondContact O-N 2.88Å
576Q72.1Confident70.5Confident97 Ų9785.1 Ų85.145%0.45345%0.451SS..Hα-helixtrans-62.5-37.4174.5-177.617166.500112.7D572 Q573D572-Q576 WeakPolarHBondContact O-CB 3.34Å; D572-Q576 PolarHBondContact O-N 2.79Å; Q573-Q576 PolarHBondContact O-N 2.96Å
577E73.3Confident70.4Confident96 Ų9686.2 Ų86.245%0.44945%0.447SS..Hα-helixtrans-66.6-46.2172.5-66.3-164.4161.300111.3R290 Q573 M574 D575 Q579 S580R290-E577 WeakPolarHBondContact CD-OE1 3.35Å; R290-E577 IonicContact CZ-OE1 3.25Å; R290-E577 IonicContact NE-OE1 3.73Å; R290-E577 IonicContact NH1-OE1 2.66Å; R290-E577 PolarHBondContact NH1-OE1 2.87Å; R290-E577 IonicContact NH1-OE2 2.86Å; R290-E577 PolarHBondContact NH1-OE2 2.85Å; Q573-E577 WeakPolarHBondContact O-CG 3.33Å; Q573-E577 PolarHBondContact O-N 3.28Å; M574-E577 PolarHBondContact O-N 3.03Å; D575-E577 VanDerWaalsContact C-N 3.34Å; D575-E577 PolarHBondContact O-N 2.92Å; E577-Q579 PolarHBondContact O-N 3.38Å; E577-S580 PolarHBondContact O-OG 2.93Å
578L77.2Confident70.5Confident60 Ų6084.9 Ų84.931%0.31445%0.445SS..Hα-helixtrans-66.4-33.2-177.7-70.9171.8000113.3M574 D575 S580 T581 V583 G584M574-L578 HydrophobicContact CG-CD1 4.02Å; M574-L578 WeakPolarHBondContact O-CB 3.31Å; M574-L578 VanDerWaalsContact O-CG 3.29Å; M574-L578 WeakPolarHBondContact O-CG 3.35Å; M574-L578 PolarHBondContact O-N 2.98Å; D575-L578 PolarHBondContact O-N 2.81Å; L578-S580 PolarHBondContact O-N 2.92Å; L578-T581 WeakPolarHBondContact O-CA 3.38Å; L578-T581 WeakPolarHBondContact O-CB 3.26Å; L578-T581 PolarHBondContact O-N 2.82Å; L578-T581 PolarHBondContact O-OG1 2.84Å; L578-V583 HydrophobicContact CD2-CB 4.22Å; L578-V583 HydrophobicContact CD2-CG1 4.31Å; L578-G584 WeakPolarHBondContact O-CA 3.42Å; L578-G584 PolarHBondContact O-N 3.47Å
579Q70.7Confident70.4Confident55 Ų5583.9 Ų83.926%0.25744%0.442SS..Hα-helixtrans-49-41.6178.1-84.6167.42100113.3D575 E577 T581D575-Q579 VanDerWaalsContact O-CG 3.25Å; D575-Q579 WeakPolarHBondContact O-CG 3.48Å; D575-Q579 PolarHBondContact O-N 2.88Å; E577-Q579 PolarHBondContact O-N 3.38Å; Q579-T581 VanDerWaalsContact C-N 3.32Å; Q579-T581 PolarHBondContact O-N 2.74Å
580S66Low69.3Low87 Ų8783.4 Ų83.461%0.60843%0.433SS*.THydrogen-bonded Turntrans-74.1-21.8179.770.40000113.8E577 L578 K585E577-S580 PolarHBondContact O-OG 2.93Å; L578-S580 PolarHBondContact O-N 2.92Å; S580-K585 WeakPolarHBondContact O-CE 3.33Å
581T68.3Low68.6Low53 Ų5382.2 Ų82.233%0.32544%0.437SS..SBendtrans-87168-176.176.50000112.1L578 Q579 V583 G584 K585L578-T581 WeakPolarHBondContact O-CA 3.38Å; L578-T581 WeakPolarHBondContact O-CB 3.26Å; L578-T581 PolarHBondContact O-N 2.82Å; L578-T581 PolarHBondContact O-OG1 2.84Å; Q579-T581 VanDerWaalsContact C-N 3.32Å; Q579-T581 PolarHBondContact O-N 2.74Å; T581-V583 PolarHBondContact O-N 3.24Å; T581-V583 VanDerWaalsContact O-N 3.17Å; T581-V583 PolarHBondContact OG1-N 2.91Å; T581-G584 PolarHBondContact O-N 3.37Å; T581-K585 WeakPolarHBondContact O-CG 3.36Å; T581-K585 PolarHBondContact O-N 3.01Å
582N60.6Low67.2Low120 Ų12085.1 Ų85.164%0.64244%0.443SS*.Hα-helixtrans-54.9-32172.5-71.2-33.6000113S586N582-S586 WeakPolarHBondContact O-CB 3.27Å; N582-S586 PolarHBondContact O-N 2.98Å; N582-S586 VanDerWaalsContact O-N 3.11Å; N582-S586 PolarHBondContact O-OG 3.37Å
583V69.7Low65.6Low77 Ų7789.6 Ų89.647%0.46746%0.46SS..Hα-helixtrans-65.3-48.1178.9179.30000110.8L578 T581 S586 F587L578-V583 HydrophobicContact CD2-CB 4.22Å; L578-V583 HydrophobicContact CD2-CG1 4.31Å; T581-V583 PolarHBondContact O-N 3.24Å; T581-V583 VanDerWaalsContact O-N 3.17Å; T581-V583 PolarHBondContact OG1-N 2.91Å; V583-S586 PolarHBondContact O-N 2.94Å; V583-F587 HydrophobicContact CG1-CE2 3.89Å; V583-F587 WeakPolarHBondContact O-CD2 3.31Å; V583-F587 WeakPolarHBondContact O-CE2 3.47Å
584G66.1Low63.7Low16 Ų1688.6 Ų88.617%0.16547%0.471CS..Hα-helixtrans-68.5-39.6177.500000113.2L578 T581 S586 F587L578-G584 WeakPolarHBondContact O-CA 3.42Å; L578-G584 PolarHBondContact O-N 3.47Å; T581-G584 PolarHBondContact O-N 3.37Å; G584-S586 PolarHBondContact O-N 2.6Å; G584-F587 PolarHBondContact O-N 3.13Å
585K68.5Low61.8Low122 Ų12287.2 Ų87.253%0.5347%0.472SS..Hα-helixtrans-62.4-20.9174.4-67.3175.1-175174.10113.3E414 S580 T581E414-K585 IonicContact OE1-NZ 3.31Å; E414-K585 PolarHBondContact OE1-NZ 3.47Å; E414-K585 VanDerWaalsContact OE1-NZ 3.09Å; S580-K585 WeakPolarHBondContact O-CE 3.33Å; T581-K585 WeakPolarHBondContact O-CG 3.36Å; T581-K585 PolarHBondContact O-N 3.01Å
586S65Low60Low85 Ų8590 Ų9059%0.59449%0.491SS*.THydrogen-bonded Turntrans-83-8.8179.1-71.70000115N582 V583 G584N582-S586 WeakPolarHBondContact O-CB 3.27Å; N582-S586 PolarHBondContact O-N 2.98Å; N582-S586 VanDerWaalsContact O-N 3.11Å; N582-S586 PolarHBondContact O-OG 3.37Å; V583-S586 PolarHBondContact O-N 2.94Å; G584-S586 PolarHBondContact O-N 2.6Å
587F72.1Confident58Low89 Ų8993 Ų9339%0.3951%0.511SS..SBendtrans-109.3135-179.4-62.9-72.3000113.1V583 G584 L621 N626V583-F587 HydrophobicContact CG1-CE2 3.89Å; V583-F587 WeakPolarHBondContact O-CD2 3.31Å; V583-F587 WeakPolarHBondContact O-CE2 3.47Å; G584-F587 PolarHBondContact O-N 3.13Å; F587-L621 HydrophobicContact CB-CD1 4.37Å; F587-L621 HydrophobicContact CB-CD2 3.75Å; F587-L621 HydrophobicContact CG-CD1 4.33Å; F587-N626 HydrophobicContact CD1-CB 4.36Å
588S68.8Low56.2Low56 Ų5696.2 Ų96.239%0.39253%0.531SS..  trans-76.3131.7172.4-56.40000111.4D622 N626S588-D622 PolarHBondContact O-N 3.08Å; S588-N626 VanDerWaalsContact CB-OD1 3.31Å; S588-N626 WeakPolarHBondContact CB-OD1 3.13Å; S588-N626 PolarHBondContact N-ND2 3.21Å; S588-N626 PolarHBondContact N-OD1 3.43Å; S588-N626 PolarHBondContact O-ND2 2.74Å; S588-N626 PolarHBondContact OG-OD1 3.08Å
589Q70.1Confident53.7Low94 Ų94100.4 Ų100.444%0.43955%0.554SS.*BIsolated β-bridgetrans-100.9148.9179-63.2178.47.700112.1N591 Q619 L621Q589-N591 PolarHBondContact O-N 2.9Å; Q589-Q619 HydrophobicContact CB-CB 4.28Å; Q589-L621 HydrophobicContact CG-CD2 4.11Å
590T54.3Low51.8Low18 Ų18102.2 Ų102.211%0.1157%0.572CS.*  trans-84.1109.4-17752.90000114Y592 Q619 P620 D622T590-Y592 HydrophobicContact CG2-CD2 4.37Å; T590-Y592 HydrophobicContact CG2-CE2 4.38Å; T590-Y592 PolarHBondContact O-N 3.36Å; T590-Q619 PolarHBondContact O-OE1 2.64Å; T590-P620 PolarHBondContact N-O 2.87Å; T590-P620 PolarHBondContact OG1-O 2.82Å; T590-D622 HydrophobicContact CG2-CB 3.42Å; T590-D622 VanDerWaalsContact CG2-CB 3.42Å; T590-D622 WeakPolarHBondContact CG2-OD2 3.46Å
591N54.1Low50Low127 Ų127103.3 Ų103.368%0.67958%0.58SS**  trans-76.468177.5-158.1-14.6000113Q589 K593Q589-N591 PolarHBondContact O-N 2.9Å; N591-K593 VanDerWaalsContact C-N 3.29Å; N591-K593 PolarHBondContact O-N 2.98Å
592Y42.3Very low48.1Very low170 Ų170112.7 Ų112.767%0.66761%0.609SS**G310 helixtrans-72.9-6.7-168.5-115.3-76.2000115.7T590 A594T590-Y592 HydrophobicContact CG2-CD2 4.37Å; T590-Y592 HydrophobicContact CG2-CE2 4.38Å; T590-Y592 PolarHBondContact O-N 3.36Å; Y592-A594 VanDerWaalsContact C-N 3.25Å; Y592-A594 PolarHBondContact O-N 2.96Å
593K39.4Very low46.6Very low157 Ų157112.2 Ų112.268%0.68362%0.616SS**G310 helixtrans-782.4-176.4-82.3172.7179161.40114.7N591 E617N591-K593 VanDerWaalsContact C-N 3.29Å; N591-K593 PolarHBondContact O-N 2.98Å; K593-E617 IonicContact NZ-OE2 3.41Å; K593-E617 PolarHBondContact NZ-OE2 3.12Å
594A36.4Very low44.9Very low93 Ų93114.5 Ų114.577%0.76963%0.632SS**G310 helixtrans-93.7-12.2-173.200000116.9Y592Y592-A594 VanDerWaalsContact C-N 3.25Å; Y592-A594 PolarHBondContact O-N 2.96Å
595C30.6Very low43Very low93 Ų93120.9 Ų120.963%0.62867%0.668SS**SBendtrans-118.91.6-160.757.10000118.1
596V33.7Very low41Very low124 Ų124118.9 Ų118.975%0.75268%0.682SS**SBendtrans-107.1-24.5-176.2-178.70000114.6N598V596-N598 PolarHBondContact O-N 3.29Å
597N31.6Very low39.2Very low161 Ų161123.4 Ų123.486%0.86170%0.7SS**  trans-96.479.4-175.9-76.4-19.8000112.9
598N34.4Very low36.9Very low163 Ų163122.5 Ų122.587%0.87272%0.715SS**  trans-146.660.2166.6-148.99.4000114.3V596V596-N598 PolarHBondContact O-N 3.29Å
599D25.5Very low35.1Very low149 Ų149127.8 Ų127.880%0.79774%0.738SS**SBendtrans-146.3135.3149.1-157.2-1.6000113.4
600S30.1Very low33.1Very low93 Ų93130.3 Ų130.365%0.6575%0.754SS**  trans61.481.8153.8-69.60000122.6
601S29.1Very low32.2Very low109 Ų109135.5 Ų135.576%0.76279%0.786SS**  69.310912370.80000122.3
602R27.3Very low30.9Very low250 Ų250137.7 Ų137.794%0.94379%0.792SS**  -175.7164.2104.9-104.6177.2169.1172.1-2.6113.7
603S28.7Very low30.3Very low111 Ų111138.5 Ų138.578%0.77680%0.802SS**  trans-79.6163-168.550.80000115.6
604P35.8Very low29.9Very low124 Ų124135.1 Ų135.181%0.80580%0.803SS**  trans-97.8153.6-163.338-35.9000115.4
605T25.5Very low30Very low150 Ų150139.5 Ų139.592%0.9281%0.808SS**  trans-160.2134.3157.1480000110
606G26Very low30.6Very low81 Ų81143.3 Ų143.384%0.83582%0.817SS**  trans13993.9163.400000115.1
607D26.5Very low31.2Very low180 Ų180143.6 Ų143.696%0.96381%0.81SS**  trans-56.7146.3170.7-166.717.5000113.2
608G25.2Very low32.2Very low70 Ų70139 Ų13972%0.72278%0.784SS**  trans169.696.2-177.700000115.3
609L31.7Very low33.5Very low167 Ų167134.1 Ų134.187%0.87476%0.756SS**  trans-62.6127.7171.2175.678.9000112
610L27.3Very low35.2Very low147 Ų147131.4 Ų131.477%0.7775%0.747SS**  trans-159.8140.2143.5-103.9176.2000110.6
611T35.3Very low36.8Very low126 Ų126130.5 Ų130.577%0.77373%0.734SS**  trans-80.5115165.840.40000108.9
612E26.6Very low38.8Very low174 Ų174127.5 Ų127.581%0.81371%0.71SS**  trans-109.2115.5159.4-70.1-176.9175.200106.9A614E612-A614 PolarHBondContact O-N 2.74Å
613E30.1Very low40.9Very low186 Ų186121.9 Ų121.987%0.86970%0.697SS**  trans-62.6113.9162.8-67178.9162.400105.6E615E613-E615 PolarHBondContact O-N 3.09Å
614A31Very low42.8Very low87 Ų87122.4 Ų122.472%0.71969%0.691SS**  trans-65.3112.4175.900000107.4E612 E616E612-A614 PolarHBondContact O-N 2.74Å; A614-E616 PolarHBondContact O-N 2.87Å
615E37.8Very low44.7Very low184 Ų184119.9 Ų119.986%0.8667%0.673SS**  trans-50.2116.1159.9-65177.2158.700106.5E613 E617E613-E615 PolarHBondContact O-N 3.09Å; E615-E617 PolarHBondContact O-N 2.94Å
616E43.9Very low46.9Very low174 Ų174113.2 Ų113.281%0.81363%0.632SS**  trans-71.978.3177-70.9-168.2161.900108.5A614 I618A614-E616 PolarHBondContact O-N 2.87Å; E616-I618 PolarHBondContact O-N 3.13Å; E616-I618 VanDerWaalsContact O-N 3.07Å
617E45.9Very low49.2Very low130 Ų130114.8 Ų114.861%0.60762%0.621SS**  trans-47.9110.9173.5-176.1179.8-153.100108.8K593 E615 Q619K593-E617 IonicContact NZ-OE2 3.41Å; K593-E617 PolarHBondContact NZ-OE2 3.12Å; E615-E617 PolarHBondContact O-N 2.94Å; E617-Q619 WeakPolarHBondContact O-CG 3.01Å; E617-Q619 PolarHBondContact O-N 3.46Å
618I53.9Low51.6Low64 Ų64110 Ų11033%0.32860%0.598SS.*  trans-53107-168.5-57.2178.2000109.7D572 E616D572-I618 HydrophobicContact CB-CD1 4.28Å; E616-I618 PolarHBondContact O-N 3.13Å; E616-I618 VanDerWaalsContact O-N 3.07Å
619Q59.6Low54.1Low60 Ų60108.8 Ų108.828%0.2858%0.581SS.*PPolyproline II helixtrans-80.5130.1-179-68.4-178.513.100109.3Q589 T590 E617 L621Q589-Q619 HydrophobicContact CB-CB 4.28Å; T590-Q619 PolarHBondContact O-OE1 2.64Å; E617-Q619 WeakPolarHBondContact O-CG 3.01Å; E617-Q619 PolarHBondContact O-N 3.46Å; Q619-L621 PolarHBondContact O-N 3.2Å
620P61.4Low56.2Low92 Ų92104.4 Ų104.460%0.59756%0.558SS**PPolyproline II helixtrans-59.9137.8179.923.6-32000110.6T590T590-P620 PolarHBondContact N-O 2.87Å; T590-P620 PolarHBondContact OG1-O 2.82Å
621L64.3Low58.5Low75 Ų7599.8 Ų99.839%0.39353%0.534SS..BIsolated β-bridgetrans-59.5138.3179.4-64.8-179.5000111F587 Q589 Q619 I623F587-L621 HydrophobicContact CB-CD1 4.37Å; F587-L621 HydrophobicContact CB-CD2 3.75Å; F587-L621 HydrophobicContact CG-CD1 4.33Å; Q589-L621 HydrophobicContact CG-CD2 4.11Å; Q619-L621 PolarHBondContact O-N 3.2Å; L621-I623 PolarHBondContact O-N 3.39Å
622D71.3Confident60.4Low45 Ų4597.9 Ų97.924%0.24152%0.519CS..  trans-78.790.9171-160.3-42000109S588 T590 D624 V625 N626S588-D622 PolarHBondContact O-N 3.08Å; T590-D622 HydrophobicContact CG2-CB 3.42Å; T590-D622 VanDerWaalsContact CG2-CB 3.42Å; T590-D622 WeakPolarHBondContact CG2-OD2 3.46Å; D622-D624 PolarHBondContact O-N 2.69Å; D622-D624 PolarHBondContact OD1-N 2.9Å; D622-V625 HydrophobicContact CB-CB 3.88Å; D622-V625 HydrophobicContact CB-CG2 4.27Å; D622-V625 VanDerWaalsContact CG-CB 3.49Å; D622-V625 WeakPolarHBondContact OD1-CG2 3.2Å; D622-V625 PolarHBondContact OD1-N 3.21Å; D622-V625 VanDerWaalsContact OD2-CG2 3.26Å; D622-V625 WeakPolarHBondContact OD2-CG2 3.39Å; D622-N626 VanDerWaalsContact O-CB 3.24Å; D622-N626 WeakPolarHBondContact O-CB 3.29Å; D622-N626 VanDerWaalsContact O-CG 3.28Å; D622-N626 PolarHBondContact O-N 3.19Å; D622-N626 PolarHBondContact O-ND2 2.86Å
623I70.6Confident62.8Low133 Ų13395.7 Ų95.768%0.68251%0.509SS*.Hα-helixtrans-60-38.4-178.2-56.3175.5000110.1L621 L627L621-I623 PolarHBondContact O-N 3.39Å; I623-L627 WeakPolarHBondContact O-CB 3.2Å; I623-L627 PolarHBondContact O-N 2.96Å
624D69.8Low65.1Low121 Ų12189.3 Ų89.365%0.64748%0.484SS*.Hα-helixtrans-72.6-46-176.9-69.6-29.6000111.5D622 L627 V628D622-D624 PolarHBondContact O-N 2.69Å; D622-D624 PolarHBondContact OD1-N 2.9Å; D624-L627 PolarHBondContact O-N 3.35Å; D624-V628 WeakPolarHBondContact O-CB 3.47Å; D624-V628 VanDerWaalsContact O-CG2 3.29Å; D624-V628 WeakPolarHBondContact O-CG2 3.43Å; D624-V628 PolarHBondContact O-N 3.16Å
625V74.6Confident67.2Low71 Ų7186.9 Ų86.943%0.4346%0.459SS..Hα-helixtrans-66.3-41.1176.3172.20000111.1D622 V628 A629D622-V625 HydrophobicContact CB-CB 3.88Å; D622-V625 HydrophobicContact CB-CG2 4.27Å; D622-V625 VanDerWaalsContact CG-CB 3.49Å; D622-V625 WeakPolarHBondContact OD1-CG2 3.2Å; D622-V625 PolarHBondContact OD1-N 3.21Å; D622-V625 VanDerWaalsContact OD2-CG2 3.26Å; D622-V625 WeakPolarHBondContact OD2-CG2 3.39Å; V625-V628 PolarHBondContact O-N 3Å; V625-A629 VanDerWaalsContact O-CB 3.22Å; V625-A629 WeakPolarHBondContact O-CB 3.33Å; V625-A629 PolarHBondContact O-N 2.57Å
626N73.1Confident68.9Low10 Ų1081.2 Ų81.25%0.05344%0.44CS..Hα-helixtrans-67.1-38.6176.7-73.3-49.9000112.1F587 S588 D622 N630F587-N626 HydrophobicContact CD1-CB 4.36Å; S588-N626 VanDerWaalsContact CB-OD1 3.31Å; S588-N626 WeakPolarHBondContact CB-OD1 3.13Å; S588-N626 PolarHBondContact N-ND2 3.21Å; S588-N626 PolarHBondContact N-OD1 3.43Å; S588-N626 PolarHBondContact O-ND2 2.74Å; S588-N626 PolarHBondContact OG-OD1 3.08Å; D622-N626 VanDerWaalsContact O-CB 3.24Å; D622-N626 WeakPolarHBondContact O-CB 3.29Å; D622-N626 VanDerWaalsContact O-CG 3.28Å; D622-N626 PolarHBondContact O-N 3.19Å; D622-N626 PolarHBondContact O-ND2 2.86Å; N626-N630 VanDerWaalsContact O-CB 3.31Å; N626-N630 WeakPolarHBondContact O-CB 3.45Å; N626-N630 PolarHBondContact O-N 3.08Å; N626-N630 PolarHBondContact O-ND2 3.1Å
627L74.5Confident70.4Confident115 Ų11577.3 Ų77.360%0.60243%0.431SS*.Hα-helixtrans-61.5-47.5173.8-172.579.3000110.6I623 D624 L631I623-L627 WeakPolarHBondContact O-CB 3.2Å; I623-L627 PolarHBondContact O-N 2.96Å; D624-L627 PolarHBondContact O-N 3.35Å; L627-L631 WeakPolarHBondContact O-CB 3.44Å; L627-L631 PolarHBondContact O-N 2.81Å
628V76.9Confident71.8Confident80 Ų8072.8 Ų72.849%0.48541%0.41SS..Hα-helixtrans-67.5-41.4-179.6171.20000111.9D624 V625 L631 L632D624-V628 WeakPolarHBondContact O-CB 3.47Å; D624-V628 VanDerWaalsContact O-CG2 3.29Å; D624-V628 WeakPolarHBondContact O-CG2 3.43Å; D624-V628 PolarHBondContact O-N 3.16Å; V625-V628 PolarHBondContact O-N 3Å; V628-L631 PolarHBondContact O-N 3.3Å; V628-L632 HydrophobicContact CG1-CD1 3.76Å; V628-L632 HydrophobicContact CG1-CG 4.31Å; V628-L632 WeakPolarHBondContact O-CB 3.41Å; V628-L632 VanDerWaalsContact O-CG 3.26Å; V628-L632 WeakPolarHBondContact O-CG 3.22Å; V628-L632 PolarHBondContact O-N 2.98Å
629A76.6Confident72.3Confident43 Ų4373.8 Ų73.836%0.35543%0.429SS..Hα-helixtrans-62-53.2176.900000111.3V625 L631 L632 E633V625-A629 VanDerWaalsContact O-CB 3.22Å; V625-A629 WeakPolarHBondContact O-CB 3.33Å; V625-A629 PolarHBondContact O-N 2.57Å; A629-L631 VanDerWaalsContact C-N 3.28Å; A629-L631 PolarHBondContact O-N 3.4Å; A629-L632 PolarHBondContact O-N 3Å; A629-E633 WeakPolarHBondContact O-CB 3.33Å; A629-E633 PolarHBondContact O-N 2.82Å
630N76.2Confident72.5Confident75 Ų7574.5 Ų74.540%0.40145%0.452SS..Hα-helixtrans-61.7-35.4177.9-75.1-60.1000112.4N626 S634N626-N630 VanDerWaalsContact O-CB 3.31Å; N626-N630 WeakPolarHBondContact O-CB 3.45Å; N626-N630 PolarHBondContact O-N 3.08Å; N626-N630 PolarHBondContact O-ND2 3.1Å; N630-S634 WeakPolarHBondContact O-CB 3.21Å; N630-S634 PolarHBondContact O-N 3.16Å; N630-S634 PolarHBondContact O-OG 2.72Å
631L75.7Confident72.7Confident51 Ų5176.3 Ų76.327%0.26746%0.456SS..Hα-helixtrans-70.8-37.7176.7-168.574.5000112.2L627 V628 A629 L635 A645 L649L627-L631 WeakPolarHBondContact O-CB 3.44Å; L627-L631 PolarHBondContact O-N 2.81Å; V628-L631 PolarHBondContact O-N 3.3Å; A629-L631 VanDerWaalsContact C-N 3.28Å; A629-L631 PolarHBondContact O-N 3.4Å; L631-L635 WeakPolarHBondContact O-CB 3.44Å; L631-L635 PolarHBondContact O-N 2.92Å; L631-A645 HydrophobicContact CD1-CB 3.96Å; L631-L649 HydrophobicContact CD2-CD1 4.19Å; L631-L649 HydrophobicContact CD2-CD2 3.74Å; L631-L649 HydrophobicContact CD2-CG 3.96Å; L631-L649 HydrophobicContact CG-CD1 4.29Å; L631-L649 HydrophobicContact CG-CG 4.45Å
632L74.7Confident72.9Confident86 Ų8677 Ų7745%0.4547%0.472SS..Hα-helixtrans-71.6-40175.2-74.9171.5000112V628 A629 L635 S636 I656V628-L632 HydrophobicContact CG1-CD1 3.76Å; V628-L632 HydrophobicContact CG1-CG 4.31Å; V628-L632 WeakPolarHBondContact O-CB 3.41Å; V628-L632 VanDerWaalsContact O-CG 3.26Å; V628-L632 WeakPolarHBondContact O-CG 3.22Å; V628-L632 PolarHBondContact O-N 2.98Å; A629-L632 PolarHBondContact O-N 3Å; L632-L635 CarbonylContact O-C 3.47Å; L632-L635 WeakPolarHBondContact O-CA 3.47Å; L632-L635 WeakPolarHBondContact O-CB 3.42Å; L632-L635 PolarHBondContact O-N 3.17Å; L632-L635 VanDerWaalsContact O-N 3.08Å; L632-S636 PolarHBondContact O-N 3.31Å; L632-S636 PolarHBondContact O-OG 3.43Å; L632-I656 HydrophobicContact CD2-CD1 4.24Å
633E77.4Confident73.2Confident128 Ų12875.4 Ų75.460%0.59847%0.467SS*.Hα-helixtrans-66.7-39.1174.3-173.1172.4-173.100111.5A629 L635 S636 S637A629-E633 WeakPolarHBondContact O-CB 3.33Å; A629-E633 PolarHBondContact O-N 2.82Å; E633-L635 PolarHBondContact O-N 3.29Å; E633-S636 WeakPolarHBondContact CA-OG 3.42Å; E633-S636 PolarHBondContact O-N 2.91Å; E633-S636 PolarHBondContact O-OG 3.34Å; E633-S636 VanDerWaalsContact O-OG 3.04Å; E633-S637 WeakPolarHBondContact O-CB 3.19Å; E633-S637 PolarHBondContact O-N 2.86Å; E633-S637 PolarHBondContact O-OG 2.9Å
634S77.4Confident73.5Confident51 Ų5174 Ų7436%0.35747%0.466SS..Hα-helixtrans-62.5-27169.5-650000112.6N630 S637 Q638N630-S634 WeakPolarHBondContact O-CB 3.21Å; N630-S634 PolarHBondContact O-N 3.16Å; N630-S634 PolarHBondContact O-OG 2.72Å; S634-S637 WeakPolarHBondContact CA-OG 3.45Å; S634-S637 PolarHBondContact O-OG 3.13Å; S634-S637 VanDerWaalsContact O-OG 3.13Å; S634-Q638 WeakPolarHBondContact O-CG 3.49Å; S634-Q638 PolarHBondContact O-NE2 3.12Å
635L74.8Confident73.9Confident36 Ų3668.4 Ų68.419%0.18844%0.437CS..Hα-helixtrans-85.6-36.8176.8-171.869.6000112.4L631 L632 E633 Q638 A639 L649 I656L631-L635 WeakPolarHBondContact O-CB 3.44Å; L631-L635 PolarHBondContact O-N 2.92Å; L632-L635 CarbonylContact O-C 3.47Å; L632-L635 WeakPolarHBondContact O-CA 3.47Å; L632-L635 WeakPolarHBondContact O-CB 3.42Å; L632-L635 PolarHBondContact O-N 3.17Å; L632-L635 VanDerWaalsContact O-N 3.08Å; E633-L635 PolarHBondContact O-N 3.29Å; L635-Q638 WeakPolarHBondContact O-CB 3.22Å; L635-Q638 PolarHBondContact O-N 3.17Å; L635-A639 PolarHBondContact O-N 3.03Å; L635-L649 HydrophobicContact CD2-CD1 4.16Å; L635-I656 HydrophobicContact CD2-CB 4.4Å; L635-I656 HydrophobicContact CD2-CD1 3.9Å; L635-I656 HydrophobicContact CD2-CG2 4.3Å
636S74.3Confident73.9Confident65 Ų6566.2 Ų66.246%0.45542%0.424SS..Hα-helixtrans-68.8-39.8176.258.10000111.6L632 E633 Q638 A639L632-S636 PolarHBondContact O-N 3.31Å; L632-S636 PolarHBondContact O-OG 3.43Å; E633-S636 WeakPolarHBondContact CA-OG 3.42Å; E633-S636 PolarHBondContact O-N 2.91Å; E633-S636 PolarHBondContact O-OG 3.34Å; E633-S636 VanDerWaalsContact O-OG 3.04Å; S636-Q638 PolarHBondContact O-N 2.89Å; S636-A639 PolarHBondContact O-N 2.91Å
637S75.3Confident74.1Confident92 Ų9269.7 Ų69.764%0.64344%0.443SS*.THydrogen-bonded Turntrans-64.2-23.4171.953.80000113.5E633 S634 A639E633-S637 WeakPolarHBondContact O-CB 3.19Å; E633-S637 PolarHBondContact O-N 2.86Å; E633-S637 PolarHBondContact O-OG 2.9Å; S634-S637 WeakPolarHBondContact CA-OG 3.45Å; S634-S637 PolarHBondContact O-OG 3.13Å; S634-S637 VanDerWaalsContact O-OG 3.13Å; S637-A639 VanDerWaalsContact C-N 3.28Å
638Q74.7Confident74.2Confident35 Ų3569 Ų6916%0.16444%0.439CS..THydrogen-bonded Turntrans-77.6-8.9170.7-75.416135.100113.3S634 L635 S636 G640 L641S634-Q638 WeakPolarHBondContact O-CG 3.49Å; S634-Q638 PolarHBondContact O-NE2 3.12Å; L635-Q638 WeakPolarHBondContact O-CB 3.22Å; L635-Q638 PolarHBondContact O-N 3.17Å; S636-Q638 PolarHBondContact O-N 2.89Å; Q638-G640 PolarHBondContact O-N 2.87Å; Q638-L641 WeakPolarHBondContact O-CB 3.46Å; Q638-L641 PolarHBondContact O-N 3.3Å
639A65.8Low74.1Confident86 Ų8665.7 Ų65.771%0.71142%0.419SS*.THydrogen-bonded Turntrans50.231.7176.400000114.9L635 S636 S637 L641L635-A639 PolarHBondContact O-N 3.03Å; S636-A639 PolarHBondContact O-N 2.91Å; S637-A639 VanDerWaalsContact C-N 3.28Å; A639-L641 VanDerWaalsContact C-N 3.33Å
640G63.6Low74Confident75 Ų7570.4 Ų70.477%0.77343%0.434SS*.THydrogen-bonded Turntrans79.17-177.300000115.6Q638Q638-G640 PolarHBondContact O-N 2.87Å
641L66.1Low73.9Confident130 Ų13071.3 Ų71.368%0.68145%0.446SS*.SBendtrans-82.9160.5168.5-59.3174.7000111Q638 A639 G643Q638-L641 WeakPolarHBondContact O-CB 3.46Å; Q638-L641 PolarHBondContact O-N 3.3Å; A639-L641 VanDerWaalsContact C-N 3.33Å; L641-G643 PolarHBondContact O-N 3.18Å
642A67.4Low73.9Confident89 Ų8974.8 Ų74.874%0.73646%0.464SS*.  trans-73122.6177.700000111.5S646A642-S646 WeakPolarHBondContact CA-OG 3.25Å
643G78Confident73.7Confident12 Ų1273.7 Ų73.712%0.12447%0.474CS..  trans-146.2-174.2177.500000113L641 A645 S646 N647L641-G643 PolarHBondContact O-N 3.18Å; G643-A645 PolarHBondContact O-N 3.45Å; G643-S646 PolarHBondContact N-OG 2.81Å; G643-S646 PolarHBondContact O-N 2.94Å; G643-S646 PolarHBondContact O-OG 3.1Å; G643-N647 WeakPolarHBondContact O-CB 3.48Å; G643-N647 PolarHBondContact O-N 3.09Å; G643-N647 PolarHBondContact O-ND2 2.87Å; G643-N647 PolarHBondContact O-OD1 3.46Å
644P77.6Confident73.4Confident102 Ų10271.9 Ų71.966%0.66247%0.467SS*.Hα-helixtrans-58.2-43.8-173.8-26.235.3000113.4N647 L648P644-N647 PolarHBondContact O-N 2.88Å; P644-L648 WeakPolarHBondContact O-CG 3.42Å; P644-L648 PolarHBondContact O-N 2.96Å
645A76.5Confident72.8Confident5 Ų578.4 Ų78.44%0.04149%0.492CS..Hα-helixtrans-67.5-44.4178.800000112.2L631 G643 N647 L648 L649L631-A645 HydrophobicContact CD1-CB 3.96Å; G643-A645 PolarHBondContact O-N 3.45Å; A645-N647 VanDerWaalsContact C-N 3.31Å; A645-N647 PolarHBondContact O-N 3.12Å; A645-L648 PolarHBondContact O-N 3.16Å; A645-L649 WeakPolarHBondContact O-CG 3.47Å; A645-L649 PolarHBondContact O-N 3.38Å
646S75.7Confident72.2Confident24 Ų2480 Ų8017%0.16850%0.5CS..Hα-helixtrans-63.1-38.3176.374.40000112.2A642 G643 L649 Q650A642-S646 WeakPolarHBondContact CA-OG 3.25Å; G643-S646 PolarHBondContact N-OG 2.81Å; G643-S646 PolarHBondContact O-N 2.94Å; G643-S646 PolarHBondContact O-OG 3.1Å; S646-L649 PolarHBondContact O-N 3.29Å; S646-Q650 VanDerWaalsContact O-CB 3.26Å; S646-Q650 WeakPolarHBondContact O-CB 3.29Å; S646-Q650 PolarHBondContact O-N 2.83Å
647N76.8Confident71.8Confident83 Ų8381.7 Ų81.744%0.44451%0.51SS..Hα-helixtrans-70.4-35.4179.8-67.6-12.1000112.1G643 P644 A645 S651G643-N647 WeakPolarHBondContact O-CB 3.48Å; G643-N647 PolarHBondContact O-N 3.09Å; G643-N647 PolarHBondContact O-ND2 2.87Å; G643-N647 PolarHBondContact O-OD1 3.46Å; P644-N647 PolarHBondContact O-N 2.88Å; A645-N647 VanDerWaalsContact C-N 3.31Å; A645-N647 PolarHBondContact O-N 3.12Å; N647-S651 WeakPolarHBondContact O-CB 3.47Å; N647-S651 PolarHBondContact O-N 3.02Å; N647-S651 PolarHBondContact O-OG 3.37Å
648L77.5Confident71Confident100 Ų10082.6 Ų82.652%0.52451%0.513SS..Hα-helixtrans-67.1-46.4171.6-81165.5000111.7P644 A645 Q650 S651 L652P644-L648 WeakPolarHBondContact O-CG 3.42Å; P644-L648 PolarHBondContact O-N 2.96Å; A645-L648 PolarHBondContact O-N 3.16Å; L648-Q650 VanDerWaalsContact C-N 3.31Å; L648-Q650 PolarHBondContact O-N 3.22Å; L648-S651 PolarHBondContact O-N 3.44Å; L648-S651 PolarHBondContact O-OG 3.37Å; L648-L652 WeakPolarHBondContact O-CB 3.46Å; L648-L652 VanDerWaalsContact O-CG 3.27Å; L648-L652 WeakPolarHBondContact O-CG 3.35Å; L648-L652 PolarHBondContact O-N 2.87Å
649L73.5Confident70.1Confident12 Ų1287.8 Ų87.86%0.06354%0.542CS..Hα-helixtrans-60.5-41.2175.2-77.3162.9000112L631 L635 A645 S646 L652 G653 I654 I656L631-L649 HydrophobicContact CD2-CD1 4.19Å; L631-L649 HydrophobicContact CD2-CD2 3.74Å; L631-L649 HydrophobicContact CD2-CG 3.96Å; L631-L649 HydrophobicContact CG-CD1 4.29Å; L631-L649 HydrophobicContact CG-CG 4.45Å; L635-L649 HydrophobicContact CD2-CD1 4.16Å; A645-L649 WeakPolarHBondContact O-CG 3.47Å; A645-L649 PolarHBondContact O-N 3.38Å; S646-L649 PolarHBondContact O-N 3.29Å; L649-L652 CarbonylContact O-C 3.56Å; L649-L652 PolarHBondContact O-N 3.49Å; L649-G653 PolarHBondContact O-N 3.05Å; L649-G653 VanDerWaalsContact O-N 3.15Å; L649-I654 HydrophobicContact CD2-CB 4.04Å; L649-I654 HydrophobicContact CD2-CD1 4.23Å; L649-I654 HydrophobicContact CD2-CG2 4Å; L649-I654 PolarHBondContact O-N 2.81Å; L649-I656 HydrophobicContact CD1-CD1 3.63Å; L649-I656 HydrophobicContact CD1-CG1 4.41Å; L649-I656 HydrophobicContact CD2-CD1 4.09Å; L649-I656 HydrophobicContact CG-CD1 4.47Å
650Q74.3Confident69.3Low141 Ų14188.9 Ų88.966%0.65954%0.544SS*.Hα-helixtrans-66.9-38.2177-171.9173.61200112.8S646 L648 G653S646-Q650 VanDerWaalsContact O-CB 3.26Å; S646-Q650 WeakPolarHBondContact O-CB 3.29Å; S646-Q650 PolarHBondContact O-N 2.83Å; L648-Q650 VanDerWaalsContact C-N 3.31Å; L648-Q650 PolarHBondContact O-N 3.22Å; Q650-G653 PolarHBondContact O-N 3.33Å; Q650-G653 VanDerWaalsContact O-N 3.14Å
651S75.2Confident68.4Low95 Ų9592.7 Ų92.766%0.66455%0.547SS*.Hα-helixtrans-72.4-29176.471.80000112.8N647 L648 G653N647-S651 WeakPolarHBondContact O-CB 3.47Å; N647-S651 PolarHBondContact O-N 3.02Å; N647-S651 PolarHBondContact O-OG 3.37Å; L648-S651 PolarHBondContact O-N 3.44Å; L648-S651 PolarHBondContact O-OG 3.37Å; S651-G653 PolarHBondContact O-N 3.45Å
652L75.2Confident67.3Low124 Ų12492.5 Ų92.565%0.64955%0.554SS**THydrogen-bonded Turntrans-76.7-2.9168.7-66.2170.3000113.4L648 L649 I654L648-L652 WeakPolarHBondContact O-CB 3.46Å; L648-L652 VanDerWaalsContact O-CG 3.27Å; L648-L652 WeakPolarHBondContact O-CG 3.35Å; L648-L652 PolarHBondContact O-N 2.87Å; L649-L652 CarbonylContact O-C 3.56Å; L649-L652 PolarHBondContact O-N 3.49Å; L652-I654 VanDerWaalsContact C-N 3.31Å; L652-I654 HydrophobicContact CB-CD1 4.25Å; L652-I654 HydrophobicContact CB-CG1 4.39Å; L652-I654 PolarHBondContact O-N 2.97Å
653G70.9Confident65.8Low63 Ų6397.3 Ų97.365%0.64958%0.582SS**THydrogen-bonded Turntrans76.61217800000115.1L649 Q650 S651L649-G653 PolarHBondContact O-N 3.05Å; L649-G653 VanDerWaalsContact O-N 3.15Å; Q650-G653 PolarHBondContact O-N 3.33Å; Q650-G653 VanDerWaalsContact O-N 3.14Å; S651-G653 PolarHBondContact O-N 3.45Å
654I71.6Confident65.2Low90 Ų90101.6 Ų101.646%0.46261%0.605SS.*  trans-93108.9-177.5-58.7170.5000109L649 L652 I656L649-I654 HydrophobicContact CD2-CB 4.04Å; L649-I654 HydrophobicContact CD2-CD1 4.23Å; L649-I654 HydrophobicContact CD2-CG2 4Å; L649-I654 PolarHBondContact O-N 2.81Å; L652-I654 VanDerWaalsContact C-N 3.31Å; L652-I654 HydrophobicContact CB-CD1 4.25Å; L652-I654 HydrophobicContact CB-CG1 4.39Å; L652-I654 PolarHBondContact O-N 2.97Å; I654-I656 HydrophobicContact CG2-CG1 4.08Å
655Q63.3Low64.5Low187 Ų187101.6 Ų101.687%0.87460%0.602SS**  trans-94.4106.8173.1-68.6-176-3.500110
656I63.6Low63.8Low70 Ų70106.9 Ų106.936%0.35963%0.633SS.*PPolyproline II helixtrans-83.6133.2174.5-57-169.2000108.7L632 L635 L649 I654L632-I656 HydrophobicContact CD2-CD1 4.24Å; L635-I656 HydrophobicContact CD2-CB 4.4Å; L635-I656 HydrophobicContact CD2-CD1 3.9Å; L635-I656 HydrophobicContact CD2-CG2 4.3Å; L649-I656 HydrophobicContact CD1-CD1 3.63Å; L649-I656 HydrophobicContact CD1-CG1 4.41Å; L649-I656 HydrophobicContact CD2-CD1 4.09Å; L649-I656 HydrophobicContact CG-CD1 4.47Å; I654-I656 HydrophobicContact CG2-CG1 4.08Å
657P64.8Low63.2Low101 Ų101111.8 Ų111.866%0.65666%0.661SS**PPolyproline II helixtrans-64.3149.7177.126.8-34.7000111.5N659P657-N659 PolarHBondContact O-N 3.43Å
658P59.4Low62.3Low110 Ų110113.6 Ų113.671%0.71467%0.674SS**PPolyproline II helixtrans-63.6133.4179.326.3-34.1000111.3S660P658-S660 PolarHBondContact O-N 3.21Å; P658-S660 VanDerWaalsContact O-N 3.09Å; P658-S660 PolarHBondContact O-OG 3.3Å
659N56.1Low61.3Low145 Ų145114.5 Ų114.578%0.77568%0.684SS**PPolyproline II helixtrans-53.3118.3174.6-86.8-4000109.8P657P657-N659 PolarHBondContact O-N 3.43Å
660S47.1Very low60.4Low108 Ų108121.9 Ų121.976%0.75573%0.729SS**  trans-108.1-1.1-173.5-59.10000112.8P658P658-S660 PolarHBondContact O-N 3.21Å; P658-S660 VanDerWaalsContact O-N 3.09Å; P658-S660 PolarHBondContact O-OG 3.3Å
661D46.3Very low59.3Low155 Ų155120.4 Ų120.483%0.82973%0.734SS**  trans-84.7126.9178.6-77.9-36.9000110.8S663D661-S663 PolarHBondContact O-N 3.25Å
662P41.9Very low58Low126 Ų126122.5 Ų122.582%0.81874%0.74SS**  trans-80.9106.9173.331.7-31.2000110.1
663S36Very low56.5Low191 Ų191122.4 Ų122.4100%1.33675%0.748SS**  trans-82.70161.660.10000110.8D661D661-S663 PolarHBondContact O-N 3.25Å

Retrieved 663 of 663 residues in 117.3 ms (Link to these results)

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