A0A087YG06_POEFO Loading...

CARMIL pleckstrin homology domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YG06, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 604 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
1M74.8Confident76.9Confident79 Ų7988.6 Ų88.639%0.38942%0.42SS..  0-58.30-164.860.782.400112E3 S4 I5 I33 P46 I48 A50M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.46Å; M1-S4 WeakPolarHBondContact O-CA 3.4Å; M1-S4 VanDerWaalsContact O-CB 3.29Å; M1-S4 WeakPolarHBondContact O-CB 3.47Å; M1-S4 PolarHBondContact O-N 3.25Å; M1-I5 HydrophobicContact CG-CD1 4.2Å; M1-I5 PolarHBondContact O-N 3.04Å; M1-I5 VanDerWaalsContact O-N 3.12Å; M1-I33 HydrophobicContact CE-CD1 3.99Å; M1-I33 HydrophobicContact CG-CD1 3.42Å; M1-I33 VanDerWaalsContact CG-CD1 3.42Å; M1-I33 HydrophobicContact SD-CD1 3.84Å; M1-P46 VanDerWaalsContact CE-C 3.49Å; M1-I48 HydrophobicContact CE-CD1 4.44Å; M1-I48 HydrophobicContact CE-CG1 3.77Å; M1-I48 HydrophobicContact SD-CG1 3.87Å; M1-A50 HydrophobicContact SD-CB 4.42Å
2T75.1Confident75.9Confident70 Ų7088.5 Ų88.543%0.42944%0.435SS..Hα-helixtrans-53.5-41.4-177.6-42.90000114.8S4 I5 R6 I17T2-S4 VanDerWaalsContact C-N 3.32Å; T2-S4 PolarHBondContact O-N 3.5Å; T2-I5 PolarHBondContact O-N 3.36Å; T2-R6 WeakPolarHBondContact O-CG 3.47Å; T2-R6 PolarHBondContact O-N 3.21Å; T2-I17 HydrophobicContact CG2-CD1 3.97Å
3E77.6Confident75.9Confident158 Ų15883.4 Ų83.474%0.73841%0.414SS*.Hα-helixtrans-66-33.1174.5-70.7-173.8156.400113.3M1 I5 R6 K7M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.46Å; E3-I5 VanDerWaalsContact C-N 3.33Å; E3-R6 PolarHBondContact O-N 2.8Å; E3-K7 WeakPolarHBondContact O-CG 3.29Å; E3-K7 PolarHBondContact O-N 2.91Å
4S80.8Confident76.4Confident21 Ų2179.5 Ų79.515%0.14740%0.395CS..Hα-helixtrans-69.7-33.2175.3-169.70000111.6M1 T2 I8 A50M1-S4 WeakPolarHBondContact O-CA 3.4Å; M1-S4 VanDerWaalsContact O-CB 3.29Å; M1-S4 WeakPolarHBondContact O-CB 3.47Å; M1-S4 PolarHBondContact O-N 3.25Å; T2-S4 VanDerWaalsContact C-N 3.32Å; T2-S4 PolarHBondContact O-N 3.5Å; S4-I8 WeakPolarHBondContact O-CD1 3.43Å; S4-A50 PolarHBondContact OG-N 2.85Å
5I79.9Confident77Confident1 Ų181.9 Ų81.91%0.00540%0.402CS..Hα-helixtrans-69.5-44.3175.8-61.3175.2000110.2M1 T2 E3 K7 I8 I9 I14 I17 I33 V35 L44 A50M1-I5 HydrophobicContact CG-CD1 4.2Å; M1-I5 PolarHBondContact O-N 3.04Å; M1-I5 VanDerWaalsContact O-N 3.12Å; T2-I5 PolarHBondContact O-N 3.36Å; E3-I5 VanDerWaalsContact C-N 3.33Å; I5-K7 PolarHBondContact O-N 3.27Å; I5-K7 VanDerWaalsContact O-N 3.1Å; I5-I8 PolarHBondContact O-N 3.12Å; I5-I9 HydrophobicContact CG2-CD1 4.14Å; I5-I9 PolarHBondContact O-N 2.94Å; I5-I14 HydrophobicContact CG2-CD1 4.37Å; I5-I17 HydrophobicContact CD1-CG2 4.29Å; I5-I17 HydrophobicContact CG2-CD1 4.47Å; I5-I33 HydrophobicContact CD1-CD1 4.47Å; I5-I33 HydrophobicContact CD1-CG2 3.89Å; I5-V35 HydrophobicContact CD1-CG2 4.2Å; I5-V35 HydrophobicContact CG2-CG1 4.47Å; I5-V35 HydrophobicContact CG2-CG2 3.76Å; I5-L44 HydrophobicContact CG1-CD2 4.21Å; I5-L44 HydrophobicContact CG2-CD2 4.44Å; I5-A50 HydrophobicContact CG1-CB 3.97Å
6R81.3Confident77.5Confident129 Ų12979.2 Ų79.249%0.48739%0.387SS..THydrogen-bonded Turntrans-65.2-8.6177.4-74179.4178.7178.7-0.9114.7T2 E3 K11 I14T2-R6 WeakPolarHBondContact O-CG 3.47Å; T2-R6 PolarHBondContact O-N 3.21Å; E3-R6 PolarHBondContact O-N 2.8Å; R6-K11 HydrophobicContact CB-CD 4.45Å; R6-K11 HydrophobicContact CB-CG 3.89Å; R6-K11 HydrophobicContact CG-CG 4.11Å; R6-I14 HydrophobicContact CG-CD1 4.11Å
7K77.4Confident78.2Confident183 Ų18377.6 Ų77.680%0.79638%0.381SS*.THydrogen-bonded Turntrans-89.7-14.4171.4-74.9-179.7-179.8-1760113E3 I5E3-K7 WeakPolarHBondContact O-CG 3.29Å; E3-K7 PolarHBondContact O-N 2.91Å; I5-K7 PolarHBondContact O-N 3.27Å; I5-K7 VanDerWaalsContact O-N 3.1Å
8I78.4Confident78.8Confident81 Ų8173.9 Ų73.942%0.41536%0.363SS..THydrogen-bonded Turntrans-112.2-37.8-172.9-59.3167.4000110.9S4 I5 A50 V52S4-I8 WeakPolarHBondContact O-CD1 3.43Å; I5-I8 PolarHBondContact O-N 3.12Å; I8-A50 HydrophobicContact CD1-CB 3.83Å; I8-A50 WeakPolarHBondContact CD1-O 3.27Å; I8-V52 HydrophobicContact CG2-CG2 3.9Å
9I78.3Confident79.3Confident8 Ų872.8 Ų72.84%0.04136%0.364CS..SBendtrans-108.5134.3176.6-58.2170.5000107.4I5 K11 I14 V35 Y42 L44I5-I9 HydrophobicContact CG2-CD1 4.14Å; I5-I9 PolarHBondContact O-N 2.94Å; I9-K11 PolarHBondContact O-N 3.27Å; I9-I14 HydrophobicContact CB-CD1 4.05Å; I9-I14 HydrophobicContact CB-CG1 4.22Å; I9-I14 HydrophobicContact CG2-CD1 4.04Å; I9-I14 HydrophobicContact CG2-CG1 3.65Å; I9-V35 HydrophobicContact CD1-CB 4.13Å; I9-V35 HydrophobicContact CD1-CG1 3.86Å; I9-V35 HydrophobicContact CD1-CG2 4.43Å; I9-Y42 HydrophobicContact CD1-CD1 3.93Å; I9-Y42 HydrophobicContact CD1-CD2 3.73Å; I9-Y42 HydrophobicContact CD1-CE1 4.35Å; I9-Y42 HydrophobicContact CD1-CE2 4.18Å; I9-Y42 HydrophobicContact CD1-CG 3.6Å; I9-Y42 HydrophobicContact CG1-CD1 4.35Å; I9-Y42 HydrophobicContact CG1-CE1 4.36Å; I9-Y42 HydrophobicContact CG1-CG 4.45Å; I9-Y42 HydrophobicContact CG2-CE2 4.22Å; I9-L44 HydrophobicContact CD1-CD1 4.4Å
10D74.5Confident79.9Confident103 Ų10369.4 Ų69.455%0.55135%0.346SS*.  trans-57128.6-179.5178.529.6000110.9S12 S13D10-S12 PolarHBondContact O-N 3.39Å; D10-S12 PolarHBondContact OD2-OG 2.84Å; D10-S13 PolarHBondContact O-N 2.97Å; D10-S13 VanDerWaalsContact O-N 3.1Å; D10-S13 PolarHBondContact O-OG 3.11Å
11K67.3Low80.4Confident142 Ų14270.9 Ų70.962%0.61735%0.351SS*.THydrogen-bonded Turntrans-59.7-34.4-173.3-72.9179-178172.10112.3R6 I9 S13R6-K11 HydrophobicContact CB-CD 4.45Å; R6-K11 HydrophobicContact CB-CG 3.89Å; R6-K11 HydrophobicContact CG-CG 4.11Å; I9-K11 PolarHBondContact O-N 3.27Å; K11-S13 PolarHBondContact O-N 3.22Å
12S65.8Low81.1Confident87 Ų8768.1 Ų68.161%0.60834%0.338SS*.THydrogen-bonded Turntrans-67.9-26.8-178.1810000112.6D10D10-S12 PolarHBondContact O-N 3.39Å; D10-S12 PolarHBondContact OD2-OG 2.84Å
13S74.8Confident81.6Confident22 Ų2266.5 Ų66.515%0.15433%0.327CS..THydrogen-bonded Turntrans-85.2-26.5-175.575.90000113.9D10 K11 K15 A37 T38D10-S13 PolarHBondContact O-N 2.97Å; D10-S13 VanDerWaalsContact O-N 3.1Å; D10-S13 PolarHBondContact O-OG 3.11Å; K11-S13 PolarHBondContact O-N 3.22Å; S13-K15 PolarHBondContact O-N 2.84Å; S13-A37 CarbonylContact O-C 3.56Å; S13-A37 VanDerWaalsContact O-C 3.32Å; S13-A37 WeakPolarHBondContact O-CA 3.45Å; S13-T38 PolarHBondContact O-N 3.39Å; S13-T38 PolarHBondContact O-OG1 3.31Å
14I83.8Confident81.8Confident29 Ų2960.8 Ų60.815%0.14930%0.302CS..EExtended strand (participates in β ladder)trans-72.9123-173.7-59.3170.2000110.6I5 R6 I9 I17 V35I5-I14 HydrophobicContact CG2-CD1 4.37Å; R6-I14 HydrophobicContact CG-CD1 4.11Å; I9-I14 HydrophobicContact CB-CD1 4.05Å; I9-I14 HydrophobicContact CB-CG1 4.22Å; I9-I14 HydrophobicContact CG2-CD1 4.04Å; I9-I14 HydrophobicContact CG2-CG1 3.65Å; I14-I17 HydrophobicContact CG2-CD1 4.01Å; I14-I17 HydrophobicContact CG2-CG1 3.86Å; I14-V35 HydrophobicContact CG1-CG1 4.18Å; I14-V35 HydrophobicContact CG2-CG1 3.96Å
15K85Confident81.3Confident115 Ų11569.1 Ų69.150%0.534%0.336SS..EExtended strand (participates in β ladder)trans-106.3-37.2178.4-57.1-55.5-178.5-166.70113.1S13 L36S13-K15 PolarHBondContact O-N 2.84Å; K15-L36 PolarHBondContact N-O 2.86Å
16F85.9Confident80.9Confident39 Ų3976 Ų7617%0.17137%0.372CS..EExtended strand (participates in β ladder)trans-153.3147.8-176.1-176.7-107.7000112.1C18 L36 H90 H93 V94F16-C18 HydrophobicContact CE1-CB 3.62Å; F16-C18 HydrophobicContact CZ-CB 3.89Å; F16-L36 HydrophobicContact CB-CB 4.15Å; F16-L36 HydrophobicContact CB-CD1 4.12Å; F16-L36 HydrophobicContact CD1-CD1 4.03Å; F16-L36 PolarHBondContact N-O 3.29Å; F16-L36 PolarHBondContact O-N 2.69Å; F16-H90 HydrophobicContact CZ-CB 4.33Å; F16-H90 AromaticContact CZ-CD2 3.74Å; F16-H93 AromaticContact CD2-CD2 3.9Å; F16-H93 AromaticContact CG-CD2 3.82Å; F16-V94 HydrophobicContact CD1-CG2 4.2Å; F16-V94 HydrophobicContact CE1-CG2 4.11Å
17I88.1Confident80.5Confident53 Ų5373.1 Ų73.127%0.27238%0.383SS..EExtended strand (participates in β ladder)trans-137.7130.3178.5-54178.6000108.6T2 I5 I14 I33 L34 V35T2-I17 HydrophobicContact CG2-CD1 3.97Å; I5-I17 HydrophobicContact CD1-CG2 4.29Å; I5-I17 HydrophobicContact CG2-CD1 4.47Å; I14-I17 HydrophobicContact CG2-CD1 4.01Å; I14-I17 HydrophobicContact CG2-CG1 3.86Å; I17-I33 HydrophobicContact CG2-CG2 3.78Å; I17-L34 WeakPolarHBondContact CA-O 3.38Å; I17-V35 HydrophobicContact CG1-CG1 4.22Å; I17-V35 HydrophobicContact CG1-CG2 4.13Å; I17-V35 HydrophobicContact CG2-CG2 4.13Å
18C89.9Confident80.6Confident10 Ų1071.7 Ų71.77%0.06838%0.377CS..EExtended strand (participates in β ladder)trans-147.2161.2173.865.90000113.3F16 L34F16-C18 HydrophobicContact CE1-CB 3.62Å; F16-C18 HydrophobicContact CZ-CB 3.89Å; C18-L34 PolarHBondContact N-O 3.35Å; C18-L34 PolarHBondContact O-N 2.99Å
19S88.6Confident80.9Confident53 Ų5371.1 Ų71.137%0.37138%0.377SS..EExtended strand (participates in β ladder)trans-80.9140.7165.848.60000110.3E86S19-E86 PolarHBondContact OG-OE1 2.95Å
20I91.3Very high81.5Confident4 Ų474.6 Ų74.62%0.02139%0.393CS..EExtended strand (participates in β ladder)trans-140.9160.5175.760.5147.9000111L22 R32 L34 F43 L83 F85I20-L22 HydrophobicContact CD1-CB 4.48Å; I20-R32 HydrophobicContact CD1-CB 4.42Å; I20-R32 HydrophobicContact CG1-CB 4.12Å; I20-R32 PolarHBondContact N-O 3.43Å; I20-R32 PolarHBondContact O-N 2.85Å; I20-L34 HydrophobicContact CD1-CB 4.24Å; I20-L34 HydrophobicContact CD1-CD1 4.11Å; I20-L34 HydrophobicContact CG1-CB 4.05Å; I20-L34 HydrophobicContact CG2-CB 4.08Å; I20-L34 HydrophobicContact CG2-CD1 4.14Å; I20-F43 HydrophobicContact CD1-CD1 3.9Å; I20-F43 HydrophobicContact CD1-CE1 3.57Å; I20-L83 HydrophobicContact CD1-CB 4.22Å; I20-L83 HydrophobicContact CD1-CD1 4.49Å; I20-L83 HydrophobicContact CD1-CD2 3.72Å; I20-L83 HydrophobicContact CD1-CG 4.37Å; I20-F85 HydrophobicContact CG2-CD1 3.57Å; I20-F85 HydrophobicContact CG2-CE1 3.36Å; I20-F85 HydrophobicContact CG2-CG 4.32Å; I20-F85 HydrophobicContact CG2-CZ 3.98Å
21K89.9Confident82.2Confident101 Ų10174.5 Ų74.544%0.43939%0.393SS..EExtended strand (participates in β ladder)trans-101.5121.2164-68.8-177.3179.4-177.20109.3E30 D31 R84K21-E30 WeakPolarHBondContact CA-O 3.5Å; K21-D31 WeakPolarHBondContact CE-OD1 3.32Å; K21-D31 WeakPolarHBondContact CG-OD1 2.87Å; K21-R84 HydrophobicContact CB-CB 4.24Å; K21-R84 PolarHBondContact N-O 3.38Å; K21-R84 PolarHBondContact O-N 2.86Å
22L89.1Confident83.3Confident22 Ų2269.8 Ų69.812%0.11537%0.371CS..EExtended strand (participates in β ladder)trans-98.6122.117717865.7000109.2I20 T24 T29 E30 R32 Y81 L83I20-L22 HydrophobicContact CD1-CB 4.48Å; L22-T24 PolarHBondContact O-N 2.84Å; L22-T29 WeakPolarHBondContact O-CA 3.35Å; L22-E30 PolarHBondContact N-O 3.1Å; L22-E30 PolarHBondContact O-N 3.49Å; L22-R32 HydrophobicContact CB-CG 3.94Å; L22-R32 HydrophobicContact CD2-CG 4.2Å; L22-Y81 HydrophobicContact CD1-CD1 4.23Å; L22-L83 HydrophobicContact CD1-CD2 3.39Å
23D86.4Confident84.5Confident36 Ų3666.6 Ų66.619%0.19335%0.347CS..EExtended strand (participates in β ladder)trans-76.3123.3174.6-63.8-9.1000109T29 T82 R84D23-T29 WeakPolarHBondContact OD1-CG2 3.44Å; D23-T82 HydrophobicContact CB-CG2 4.09Å; D23-T82 PolarHBondContact N-O 3.44Å; D23-T82 VanDerWaalsContact OD2-CG2 3.25Å; D23-T82 WeakPolarHBondContact OD2-CG2 3.21Å; D23-R84 IonicContact OD1-CZ 3.38Å; D23-R84 IonicContact OD1-NE 3.12Å; D23-R84 IonicContact OD1-NH2 3.81Å; D23-R84 IonicContact OD2-CZ 2.62Å; D23-R84 IonicContact OD2-NE 3.51Å; D23-R84 PolarHBondContact OD2-NE 3.38Å; D23-R84 IonicContact OD2-NH2 3.52Å; D23-R84 PolarHBondContact OD2-NH2 3.14Å
24T80.4Confident85.2Confident37 Ų3765.6 Ų65.623%0.22734%0.34CS..PPolyproline II helixtrans-85.6159.7176.465.50000111.2L22 N26 G27 K28 E30L22-T24 PolarHBondContact O-N 2.84Å; T24-N26 PolarHBondContact O-N 2.94Å; T24-G27 PolarHBondContact O-N 2.93Å; T24-K28 WeakPolarHBondContact CB-O 3.41Å; T24-K28 WeakPolarHBondContact CG2-O 3.46Å; T24-K28 PolarHBondContact N-O 3.42Å; T24-K28 PolarHBondContact OG1-N 2.91Å; T24-K28 PolarHBondContact OG1-O 2.7Å; T24-E30 HydrophobicContact CG2-CB 4.49Å; T24-E30 HydrophobicContact CG2-CG 3.82Å
25K70.9Confident85.5Confident196 Ų19664.2 Ų64.285%0.85233%0.333SS*.THydrogen-bonded Turntrans-56.6-19.8177.3-67-174178.1-178.50114.1G27K25-G27 VanDerWaalsContact C-N 3.32Å
26N71.8Confident85.7Confident145 Ų14558.7 Ų58.778%0.77531%0.309SS*.THydrogen-bonded Turntrans-91.79.7-179.9-60.8-5000112.8T24 K28T24-N26 PolarHBondContact O-N 2.94Å; N26-K28 PolarHBondContact O-N 3.15Å
27G72.4Confident85.8Confident69 Ų6957 Ų5771%0.71130%0.302SS*.SBendtrans75.74.7-17900000114.8T24 K25T24-G27 PolarHBondContact O-N 2.93Å; K25-G27 VanDerWaalsContact C-N 3.32Å
28K81.1Confident85.6Confident154 Ų15456.4 Ų56.467%0.6730%0.301SS*.  trans-89.9143174.1-65.7-174.2179.8-177.90110.4T24 N26T24-K28 WeakPolarHBondContact CB-O 3.41Å; T24-K28 WeakPolarHBondContact CG2-O 3.46Å; T24-K28 PolarHBondContact N-O 3.42Å; T24-K28 PolarHBondContact OG1-N 2.91Å; T24-K28 PolarHBondContact OG1-O 2.7Å; N26-K28 PolarHBondContact O-N 3.15Å
29T84.3Confident85.5Confident68 Ų6857.5 Ų57.542%0.41730%0.304SS..EExtended strand (participates in β ladder)trans-99.3131.2175.5600000110.3L22 D23L22-T29 WeakPolarHBondContact O-CA 3.35Å; D23-T29 WeakPolarHBondContact OD1-CG2 3.44Å
30E89.4Confident85.5Confident81 Ų8157.7 Ų57.738%0.37930%0.296SS..EExtended strand (participates in β ladder)trans-118.2138.7179.8-67.2-178.7163.200111K21 L22 T24 R32K21-E30 WeakPolarHBondContact CA-O 3.5Å; L22-E30 PolarHBondContact N-O 3.1Å; L22-E30 PolarHBondContact O-N 3.49Å; T24-E30 HydrophobicContact CG2-CB 4.49Å; T24-E30 HydrophobicContact CG2-CG 3.82Å; E30-R32 IonicContact OE2-CZ 2.82Å; E30-R32 IonicContact OE2-NE 3.39Å; E30-R32 IonicContact OE2-NH2 3.09Å; E30-R32 PolarHBondContact OE2-NH2 3.32Å
31D89.9Confident85.5Confident102 Ų10257.5 Ų57.555%0.54530%0.295SS..EExtended strand (participates in β ladder)trans-75.3126.2175.8-62.9-40.4000110.4K21 P46K21-D31 WeakPolarHBondContact CE-OD1 3.32Å; K21-D31 WeakPolarHBondContact CG-OD1 2.87Å; D31-P46 WeakPolarHBondContact O-CD 3.48Å; D31-P46 WeakPolarHBondContact O-CG 3.49Å
32R90.7Very high85.5Confident43 Ų4354.3 Ų54.316%0.16228%0.281CS..EExtended strand (participates in β ladder)trans-134.3156.8-178.9-59.8-64.9177.2-166.512.8110.7I20 L22 E30 E53I20-R32 HydrophobicContact CD1-CB 4.42Å; I20-R32 HydrophobicContact CG1-CB 4.12Å; I20-R32 PolarHBondContact N-O 3.43Å; I20-R32 PolarHBondContact O-N 2.85Å; L22-R32 HydrophobicContact CB-CG 3.94Å; L22-R32 HydrophobicContact CD2-CG 4.2Å; E30-R32 IonicContact OE2-CZ 2.82Å; E30-R32 IonicContact OE2-NE 3.39Å; E30-R32 IonicContact OE2-NH2 3.09Å; E30-R32 PolarHBondContact OE2-NH2 3.32Å; R32-E53 VanDerWaalsContact CD-OE2 3.27Å; R32-E53 WeakPolarHBondContact CD-OE2 3.4Å; R32-E53 VanDerWaalsContact CZ-CD 3.45Å; R32-E53 IonicContact CZ-OE1 2.85Å; R32-E53 VanDerWaalsContact CZ-OE1 3.31Å; R32-E53 IonicContact CZ-OE2 3.49Å; R32-E53 IonicContact NE-OE2 3.31Å; R32-E53 PolarHBondContact NE-OE2 3.4Å; R32-E53 VanDerWaalsContact NE-OE2 3.09Å; R32-E53 IonicContact NH1-OE1 3.36Å; R32-E53 PolarHBondContact NH1-OE1 2.89Å; R32-E53 IonicContact NH1-OE2 2.7Å; R32-E53 PolarHBondContact NH1-OE2 2.86Å; R32-E53 IonicContact NH2-OE1 2.79Å; R32-E53 PolarHBondContact NH2-OE1 2.88Å; R32-E53 IonicContact NH2-OE2 3.18Å; R32-E53 PolarHBondContact NH2-OE2 2.82Å
33I90.4Very high85.6Confident20 Ų2053.3 Ų53.310%0.10328%0.275CS..EExtended strand (participates in β ladder)trans-99.2123.5169.1-58173.9000107.9M1 I5 I17 V35 F43 L44 P46M1-I33 HydrophobicContact CE-CD1 3.99Å; M1-I33 HydrophobicContact CG-CD1 3.42Å; M1-I33 VanDerWaalsContact CG-CD1 3.42Å; M1-I33 HydrophobicContact SD-CD1 3.84Å; I5-I33 HydrophobicContact CD1-CD1 4.47Å; I5-I33 HydrophobicContact CD1-CG2 3.89Å; I17-I33 HydrophobicContact CG2-CG2 3.78Å; I33-V35 HydrophobicContact CG2-CG2 4.26Å; I33-F43 WeakPolarHBondContact O-CA 3.45Å; I33-L44 HydrophobicContact CB-CB 4.33Å; I33-L44 PolarHBondContact N-O 2.93Å; I33-L44 PolarHBondContact O-N 3.28Å; I33-P46 HydrophobicContact CD1-CB 4.37Å; I33-P46 HydrophobicContact CG1-CB 4.37Å
34L90.6Very high85.8Confident0 Ų051.6 Ų51.60%027%0.266CS..EExtended strand (participates in β ladder)trans-96.3128.8173.8-174.6157.2000109I17 C18 I20 L36 L41 Y42 F43 L83 F85 V94I17-L34 WeakPolarHBondContact CA-O 3.38Å; C18-L34 PolarHBondContact N-O 3.35Å; C18-L34 PolarHBondContact O-N 2.99Å; I20-L34 HydrophobicContact CD1-CB 4.24Å; I20-L34 HydrophobicContact CD1-CD1 4.11Å; I20-L34 HydrophobicContact CG1-CB 4.05Å; I20-L34 HydrophobicContact CG2-CB 4.08Å; I20-L34 HydrophobicContact CG2-CD1 4.14Å; L34-L36 HydrophobicContact CD2-CD1 4.43Å; L34-L36 HydrophobicContact CD2-CD2 4.22Å; L34-L36 HydrophobicContact CD2-CG 3.73Å; L34-L41 HydrophobicContact CD1-CD1 4.18Å; L34-L41 HydrophobicContact CD1-CD2 4.11Å; L34-L41 HydrophobicContact CD1-CG 4.41Å; L34-L41 HydrophobicContact CD2-CD1 4.47Å; L34-L41 HydrophobicContact CD2-CG 4.34Å; L34-L41 HydrophobicContact CG-CD1 4.43Å; L34-L41 HydrophobicContact CG-CD2 3.94Å; L34-L41 HydrophobicContact CG-CG 4.19Å; L34-Y42 WeakPolarHBondContact CA-O 3.49Å; L34-F43 HydrophobicContact CD1-CE1 4.04Å; L34-F43 HydrophobicContact CG-CE1 4.38Å; L34-L83 HydrophobicContact CD1-CD1 3.87Å; L34-F85 HydrophobicContact CD1-CE1 4.31Å; L34-F85 HydrophobicContact CD1-CZ 4.14Å; L34-V94 HydrophobicContact CD2-CG2 4.34Å
35V89.9Confident86.1Confident0 Ų050.2 Ų50.20%026%0.259CS..EExtended strand (participates in β ladder)trans-120.7121.2173.2179.20000108.6I5 I9 I14 I17 I33 Y42 L44I5-V35 HydrophobicContact CD1-CG2 4.2Å; I5-V35 HydrophobicContact CG2-CG1 4.47Å; I5-V35 HydrophobicContact CG2-CG2 3.76Å; I9-V35 HydrophobicContact CD1-CB 4.13Å; I9-V35 HydrophobicContact CD1-CG1 3.86Å; I9-V35 HydrophobicContact CD1-CG2 4.43Å; I14-V35 HydrophobicContact CG1-CG1 4.18Å; I14-V35 HydrophobicContact CG2-CG1 3.96Å; I17-V35 HydrophobicContact CG1-CG1 4.22Å; I17-V35 HydrophobicContact CG1-CG2 4.13Å; I17-V35 HydrophobicContact CG2-CG2 4.13Å; I33-V35 HydrophobicContact CG2-CG2 4.26Å; V35-Y42 PolarHBondContact N-O 2.95Å; V35-Y42 PolarHBondContact O-N 2.59Å; V35-L44 HydrophobicContact CB-CD1 4.05Å; V35-L44 HydrophobicContact CG2-CD1 3.43Å; V35-L44 VanDerWaalsContact CG2-CD1 3.43Å
36L88.4Confident86.8Confident0 Ų044 Ų440%024%0.238CC..EExtended strand (participates in β ladder)trans-92.1120.6170.1-72.3172.4000109.4K15 F16 L34 L41 F58 V94 H97 I98K15-L36 PolarHBondContact N-O 2.86Å; F16-L36 HydrophobicContact CB-CB 4.15Å; F16-L36 HydrophobicContact CB-CD1 4.12Å; F16-L36 HydrophobicContact CD1-CD1 4.03Å; F16-L36 PolarHBondContact N-O 3.29Å; F16-L36 PolarHBondContact O-N 2.69Å; L34-L36 HydrophobicContact CD2-CD1 4.43Å; L34-L36 HydrophobicContact CD2-CD2 4.22Å; L34-L36 HydrophobicContact CD2-CG 3.73Å; L36-L41 HydrophobicContact CD2-CB 4.38Å; L36-L41 HydrophobicContact CD2-CD1 3.77Å; L36-L41 HydrophobicContact CD2-CG 3.97Å; L36-F58 HydrophobicContact CD2-CE1 4.12Å; L36-F58 HydrophobicContact CD2-CZ 4.01Å; L36-V94 HydrophobicContact CD1-CB 4.05Å; L36-V94 HydrophobicContact CD1-CG1 4.15Å; L36-V94 HydrophobicContact CD1-CG2 3.71Å; L36-V94 HydrophobicContact CD2-CG1 4.4Å; L36-H97 HydrophobicContact CD1-CB 4.29Å; L36-I98 HydrophobicContact CD2-CG1 4.48Å
37A88.6Confident87.5Confident4 Ų444.5 Ų44.53%0.03323%0.234CC..EExtended strand (participates in β ladder)trans-96.3-175.2165.600000110.9S13 W39 R40 Y42 H97S13-A37 CarbonylContact O-C 3.56Å; S13-A37 VanDerWaalsContact O-C 3.32Å; S13-A37 WeakPolarHBondContact O-CA 3.45Å; A37-W39 VanDerWaalsContact C-N 3.34Å; A37-W39 PolarHBondContact O-N 3.06Å; A37-R40 HydrophobicContact CB-CB 4.39Å; A37-R40 PolarHBondContact N-O 3.5Å; A37-Y42 HydrophobicContact CB-CD2 4.38Å; A37-Y42 HydrophobicContact CB-CE2 3.74Å; A37-H97 PolarHBondContact O-NE2 2.82Å
38T83.9Confident87.9Confident39 Ų3947.2 Ų47.224%0.23923%0.23CC..SBendtrans-57.6-44.7178.5-46.40000112.2S13 F58S13-T38 PolarHBondContact O-N 3.39Å; S13-T38 PolarHBondContact O-OG1 3.31Å; T38-F58 VanDerWaalsContact O-CE2 3.31Å; T38-F58 WeakPolarHBondContact O-CE2 3.25Å
39W86.9Confident87.9Confident34 Ų3445 Ų4513%0.12923%0.232CC..SBendtrans-126-2.3-175.3-47.4124.7000114.5A37 N57 F58 A101 I105 A149A37-W39 VanDerWaalsContact C-N 3.34Å; A37-W39 PolarHBondContact O-N 3.06Å; W39-N57 WeakPolarHBondContact O-CA 3.29Å; W39-N57 PolarHBondContact O-ND2 3.32Å; W39-F58 WeakPolarHBondContact O-CD2 3.3Å; W39-F58 WeakPolarHBondContact O-CG 3.13Å; W39-F58 PolarHBondContact O-N 2.89Å; W39-A101 HydrophobicContact CE3-CB 4.1Å; W39-A101 HydrophobicContact CZ3-CB 4.04Å; W39-I105 HydrophobicContact CE3-CD1 3.74Å; W39-I105 HydrophobicContact CE3-CG1 4.18Å; W39-I105 HydrophobicContact CH2-CG1 4.18Å; W39-I105 HydrophobicContact CZ3-CD1 3.73Å; W39-I105 HydrophobicContact CZ3-CG1 3.67Å; W39-A149 HydrophobicContact CD2-CB 3.76Å; W39-A149 HydrophobicContact CE3-CB 4.01Å; W39-A149 HydrophobicContact CG-CB 4.14Å; W39-A149 HydrophobicContact CH2-CB 4.45Å; W39-A149 HydrophobicContact CZ2-CB 4.24Å; W39-A149 HydrophobicContact CZ3-CB 4.35Å
40R89.8Confident87.9Confident57 Ų5742 Ų4222%0.21522%0.215CC..EExtended strand (participates in β ladder)trans-132.4152.5-171.7-73.3-177.7175.5-147.93113.2A37 Y42 F56 N57 F58 D152A37-R40 HydrophobicContact CB-CB 4.39Å; A37-R40 PolarHBondContact N-O 3.5Å; R40-Y42 HydrophobicContact CB-CD2 4.3Å; R40-Y42 HydrophobicContact CB-CE2 3.6Å; R40-Y42 VanDerWaalsContact CD-OH 3.3Å; R40-Y42 WeakPolarHBondContact CD-OH 3.32Å; R40-F56 WeakPolarHBondContact CA-O 3.34Å; R40-N57 HydrophobicContact CG-CB 4.22Å; R40-F58 VanDerWaalsContact C-CE1 3.46Å; R40-D152 WeakPolarHBondContact CD-OD2 3.39Å; R40-D152 VanDerWaalsContact CG-OD2 3.23Å; R40-D152 WeakPolarHBondContact CG-OD2 3.28Å; R40-D152 IonicContact CZ-OD1 3.71Å; R40-D152 IonicContact CZ-OD2 2.76Å; R40-D152 VanDerWaalsContact NE-CG 3.27Å; R40-D152 IonicContact NE-OD1 3.06Å; R40-D152 PolarHBondContact NE-OD1 3.48Å; R40-D152 VanDerWaalsContact NE-OD1 3.14Å; R40-D152 IonicContact NE-OD2 2.62Å; R40-D152 PolarHBondContact NE-OD2 3.11Å; R40-D152 PolarHBondContact NH2-O 3.07Å; R40-D152 IonicContact NH2-OD2 2.79Å
41L90.5Very high87.7Confident0 Ų045.6 Ų45.60%023%0.229CC..EExtended strand (participates in β ladder)trans-112.7129168.3-160.9150.1000109.2L34 L36 F43 T55 F56 F58 I74 I98L34-L41 HydrophobicContact CD1-CD1 4.18Å; L34-L41 HydrophobicContact CD1-CD2 4.11Å; L34-L41 HydrophobicContact CD1-CG 4.41Å; L34-L41 HydrophobicContact CD2-CD1 4.47Å; L34-L41 HydrophobicContact CD2-CG 4.34Å; L34-L41 HydrophobicContact CG-CD1 4.43Å; L34-L41 HydrophobicContact CG-CD2 3.94Å; L34-L41 HydrophobicContact CG-CG 4.19Å; L36-L41 HydrophobicContact CD2-CB 4.38Å; L36-L41 HydrophobicContact CD2-CD1 3.77Å; L36-L41 HydrophobicContact CD2-CG 3.97Å; L41-F43 HydrophobicContact CD2-CD1 4.04Å; L41-F43 HydrophobicContact CD2-CD2 4.06Å; L41-F43 HydrophobicContact CD2-CE1 3.55Å; L41-F43 HydrophobicContact CD2-CE2 3.64Å; L41-F43 HydrophobicContact CD2-CG 4.28Å; L41-F43 HydrophobicContact CD2-CZ 3.34Å; L41-T55 VanDerWaalsContact O-CA 3.23Å; L41-T55 WeakPolarHBondContact O-CA 3.42Å; L41-T55 PolarHBondContact O-OG1 3.31Å; L41-F56 HydrophobicContact CB-CE1 4.07Å; L41-F56 HydrophobicContact CB-CE2 4.29Å; L41-F56 HydrophobicContact CB-CZ 3.92Å; L41-F56 HydrophobicContact CD1-CZ 4.05Å; L41-F56 HydrophobicContact CD2-CE1 3.97Å; L41-F56 HydrophobicContact CD2-CZ 4.29Å; L41-F56 HydrophobicContact CG-CE1 4.43Å; L41-F56 HydrophobicContact CG-CZ 4.33Å; L41-F56 PolarHBondContact N-O 3.09Å; L41-F56 PolarHBondContact O-N 3.1Å; L41-F56 VanDerWaalsContact O-N 3.12Å; L41-F58 HydrophobicContact CB-CE1 4.06Å; L41-I74 HydrophobicContact CD1-CD1 4.27Å; L41-I98 HydrophobicContact CD1-CD1 4.3Å
42Y90.4Very high87.6Confident34 Ų3442.9 Ų42.913%0.13322%0.216CC..EExtended strand (participates in β ladder)trans-115.2137176.9-57.7-99.6000110.8I9 L34 V35 A37 R40 V52 T55I9-Y42 HydrophobicContact CD1-CD1 3.93Å; I9-Y42 HydrophobicContact CD1-CD2 3.73Å; I9-Y42 HydrophobicContact CD1-CE1 4.35Å; I9-Y42 HydrophobicContact CD1-CE2 4.18Å; I9-Y42 HydrophobicContact CD1-CG 3.6Å; I9-Y42 HydrophobicContact CG1-CD1 4.35Å; I9-Y42 HydrophobicContact CG1-CE1 4.36Å; I9-Y42 HydrophobicContact CG1-CG 4.45Å; I9-Y42 HydrophobicContact CG2-CE2 4.22Å; L34-Y42 WeakPolarHBondContact CA-O 3.49Å; V35-Y42 PolarHBondContact N-O 2.95Å; V35-Y42 PolarHBondContact O-N 2.59Å; A37-Y42 HydrophobicContact CB-CD2 4.38Å; A37-Y42 HydrophobicContact CB-CE2 3.74Å; R40-Y42 HydrophobicContact CB-CD2 4.3Å; R40-Y42 HydrophobicContact CB-CE2 3.6Å; R40-Y42 VanDerWaalsContact CD-OH 3.3Å; R40-Y42 WeakPolarHBondContact CD-OH 3.32Å; Y42-V52 HydrophobicContact CD1-CG1 4Å; Y42-V52 HydrophobicContact CD1-CG2 4.26Å; Y42-T55 HydrophobicContact CD1-CG2 4.38Å; Y42-T55 VanDerWaalsContact CD1-OG1 3.32Å; Y42-T55 WeakPolarHBondContact CD1-OG1 3.09Å; Y42-T55 HydrophobicContact CE1-CG2 4.38Å; Y42-T55 WeakPolarHBondContact CE1-OG1 3.35Å
43F90.7Very high87.4Confident0 Ų044.8 Ų44.80%023%0.226CC..EExtended strand (participates in β ladder)trans-106.5125.6166.4-60.2-69.4000109.6I20 I33 L34 L41 E53 T54 F56 Y81 L83I20-F43 HydrophobicContact CD1-CD1 3.9Å; I20-F43 HydrophobicContact CD1-CE1 3.57Å; I33-F43 WeakPolarHBondContact O-CA 3.45Å; L34-F43 HydrophobicContact CD1-CE1 4.04Å; L34-F43 HydrophobicContact CG-CE1 4.38Å; L41-F43 HydrophobicContact CD2-CD1 4.04Å; L41-F43 HydrophobicContact CD2-CD2 4.06Å; L41-F43 HydrophobicContact CD2-CE1 3.55Å; L41-F43 HydrophobicContact CD2-CE2 3.64Å; L41-F43 HydrophobicContact CD2-CG 4.28Å; L41-F43 HydrophobicContact CD2-CZ 3.34Å; F43-E53 PolarHBondContact O-N 3.4Å; F43-T54 WeakPolarHBondContact CB-OG1 3.5Å; F43-T54 WeakPolarHBondContact CD2-OG1 3.19Å; F43-T54 PolarHBondContact N-O 2.89Å; F43-T54 PolarHBondContact O-N 3.41Å; F43-F56 HydrophobicContact CE2-CD1 4.36Å; F43-F56 AromaticContact CE2-CE1 3.78Å; F43-F56 HydrophobicContact CE2-CE1 3.78Å; F43-F56 HydrophobicContact CZ-CE1 4.27Å; F43-Y81 HydrophobicContact CD2-CE1 4.36Å; F43-Y81 AromaticContact CE2-CD1 3.73Å; F43-Y81 HydrophobicContact CE2-CD1 3.73Å; F43-Y81 AromaticContact CE2-CE1 3.84Å; F43-Y81 HydrophobicContact CE2-CE1 3.84Å; F43-Y81 HydrophobicContact CE2-CG 4.14Å; F43-Y81 HydrophobicContact CZ-CD1 4.24Å; F43-Y81 HydrophobicContact CZ-CG 4.41Å; F43-L83 HydrophobicContact CE1-CD1 4.21Å; F43-L83 HydrophobicContact CE1-CD2 3.63Å; F43-L83 HydrophobicContact CZ-CD1 4.17Å; F43-L83 HydrophobicContact CZ-CD2 3.6Å
44L90.4Very high87.3Confident0 Ų046.4 Ų46.40%024%0.238CC..EExtended strand (participates in β ladder)trans-120146.4179.5-59.692.7000111.2I5 I9 I33 V35 A50 K51 V52I5-L44 HydrophobicContact CG1-CD2 4.21Å; I5-L44 HydrophobicContact CG2-CD2 4.44Å; I9-L44 HydrophobicContact CD1-CD1 4.4Å; I33-L44 HydrophobicContact CB-CB 4.33Å; I33-L44 PolarHBondContact N-O 2.93Å; I33-L44 PolarHBondContact O-N 3.28Å; V35-L44 HydrophobicContact CB-CD1 4.05Å; V35-L44 HydrophobicContact CG2-CD1 3.43Å; V35-L44 VanDerWaalsContact CG2-CD1 3.43Å; L44-A50 HydrophobicContact CD2-CB 4Å; L44-K51 VanDerWaalsContact CA-O 3.32Å; L44-K51 WeakPolarHBondContact CA-O 3.21Å; L44-V52 HydrophobicContact CD2-CG2 4Å; L44-V52 HydrophobicContact CG-CG2 4.16Å
45A87.8Confident87.3Confident8 Ų848.9 Ų48.97%0.06625%0.252CS..EExtended strand (participates in β ladder)trans-64.9139.7169.500000110.2K47 K51 E53A45-K47 PolarHBondContact O-N 2.81Å; A45-K51 PolarHBondContact N-O 2.84Å; A45-K51 VanDerWaalsContact N-O 3.15Å; A45-E53 HydrophobicContact CB-CG 4.29Å; A45-E53 WeakPolarHBondContact CB-OE1 3.27Å
46P85.3Confident87.2Confident66 Ų6649 Ų4943%0.42925%0.253SS..SBendtrans-76.354.217533.3-35.9000111.3M1 D31 I33M1-P46 VanDerWaalsContact CE-C 3.49Å; D31-P46 WeakPolarHBondContact O-CD 3.48Å; D31-P46 WeakPolarHBondContact O-CG 3.49Å; I33-P46 HydrophobicContact CD1-CB 4.37Å; I33-P46 HydrophobicContact CG1-CB 4.37Å
47K85.6Confident87.2Confident156 Ų15649 Ų4968%0.67825%0.253SS*.SBendtrans-129.3154.8179.8-64.1-175.7-179.3179.80110.4A45 P49 A50A45-K47 PolarHBondContact O-N 2.81Å; K47-P49 CarbonylContact O-C 3.24Å; K47-P49 VanDerWaalsContact O-C 3.24Å; K47-A50 VanDerWaalsContact O-CA 3.27Å; K47-A50 WeakPolarHBondContact O-CA 3.37Å; K47-A50 PolarHBondContact O-N 2.96Å
48I81.5Confident87.1Confident125 Ų12548.9 Ų48.964%0.64125%0.252SS*.SBendtrans-113.6124.4175.7-57.8175.8000107.6M1M1-I48 HydrophobicContact CE-CD1 4.44Å; M1-I48 HydrophobicContact CE-CG1 3.77Å; M1-I48 HydrophobicContact SD-CG1 3.87Å
49P81.7Confident87.1Confident107 Ų10748.9 Ų48.970%0.69525%0.25SS*.SBendcis-681450.229.3-34.4000112.3K47K47-P49 CarbonylContact O-C 3.24Å; K47-P49 VanDerWaalsContact O-C 3.24Å
50A82.9Confident87.1Confident7 Ų748.7 Ų48.76%0.05825%0.251CS..  trans-56.8142.5176.100000109.7M1 S4 I5 I8 L44 K47M1-A50 HydrophobicContact SD-CB 4.42Å; S4-A50 PolarHBondContact OG-N 2.85Å; I5-A50 HydrophobicContact CG1-CB 3.97Å; I8-A50 HydrophobicContact CD1-CB 3.83Å; I8-A50 WeakPolarHBondContact CD1-O 3.27Å; L44-A50 HydrophobicContact CD2-CB 4Å; K47-A50 VanDerWaalsContact O-CA 3.27Å; K47-A50 WeakPolarHBondContact O-CA 3.37Å; K47-A50 PolarHBondContact O-N 2.96Å
51K85.6Confident86.9Confident156 Ų15646.6 Ų46.668%0.67824%0.243SC*.EExtended strand (participates in β ladder)trans-134.6126.1177.7-172.4178.6179.2-178.40108.6L44 A45 E53L44-K51 VanDerWaalsContact CA-O 3.32Å; L44-K51 WeakPolarHBondContact CA-O 3.21Å; A45-K51 PolarHBondContact N-O 2.84Å; A45-K51 VanDerWaalsContact N-O 3.15Å; K51-E53 PolarHBondContact O-N 2.88Å
52V87.6Confident86.4Confident45 Ų4554.1 Ų54.127%0.27327%0.272SS..EExtended strand (participates in β ladder)trans-69.8123172.4178.80000107.8I8 Y42 L44I8-V52 HydrophobicContact CG2-CG2 3.9Å; Y42-V52 HydrophobicContact CD1-CG1 4Å; Y42-V52 HydrophobicContact CD1-CG2 4.26Å; L44-V52 HydrophobicContact CD2-CG2 4Å; L44-V52 HydrophobicContact CG-CG2 4.16Å
53E87.6Confident86Confident82 Ų8252.8 Ų52.838%0.38327%0.268SS..EExtended strand (participates in β ladder)trans-96.1-48.6177.2-69-178.5152.300110.6R32 F43 A45 K51R32-E53 VanDerWaalsContact CD-OE2 3.27Å; R32-E53 WeakPolarHBondContact CD-OE2 3.4Å; R32-E53 VanDerWaalsContact CZ-CD 3.45Å; R32-E53 IonicContact CZ-OE1 2.85Å; R32-E53 VanDerWaalsContact CZ-OE1 3.31Å; R32-E53 IonicContact CZ-OE2 3.49Å; R32-E53 IonicContact NE-OE2 3.31Å; R32-E53 PolarHBondContact NE-OE2 3.4Å; R32-E53 VanDerWaalsContact NE-OE2 3.09Å; R32-E53 IonicContact NH1-OE1 3.36Å; R32-E53 PolarHBondContact NH1-OE1 2.89Å; R32-E53 IonicContact NH1-OE2 2.7Å; R32-E53 PolarHBondContact NH1-OE2 2.86Å; R32-E53 IonicContact NH2-OE1 2.79Å; R32-E53 PolarHBondContact NH2-OE1 2.88Å; R32-E53 IonicContact NH2-OE2 3.18Å; R32-E53 PolarHBondContact NH2-OE2 2.82Å; F43-E53 PolarHBondContact O-N 3.4Å; A45-E53 HydrophobicContact CB-CG 4.29Å; A45-E53 WeakPolarHBondContact CB-OE1 3.27Å; K51-E53 PolarHBondContact O-N 2.88Å
54T87.8Confident85.7Confident55 Ų5553.7 Ų53.734%0.33727%0.273SS..EExtended strand (participates in β ladder)trans-142.6149.1178.248.50000110.3F43F43-T54 WeakPolarHBondContact CB-OG1 3.5Å; F43-T54 WeakPolarHBondContact CD2-OG1 3.19Å; F43-T54 PolarHBondContact N-O 2.89Å; F43-T54 PolarHBondContact O-N 3.41Å
55T90.1Very high85.5Confident51 Ų5154.8 Ų54.831%0.31328%0.279SS..EExtended strand (participates in β ladder)trans-148.7148.1176.3-179.80000108.6L41 Y42L41-T55 VanDerWaalsContact O-CA 3.23Å; L41-T55 WeakPolarHBondContact O-CA 3.42Å; L41-T55 PolarHBondContact O-OG1 3.31Å; Y42-T55 HydrophobicContact CD1-CG2 4.38Å; Y42-T55 VanDerWaalsContact CD1-OG1 3.32Å; Y42-T55 WeakPolarHBondContact CD1-OG1 3.09Å; Y42-T55 HydrophobicContact CE1-CG2 4.38Å; Y42-T55 WeakPolarHBondContact CE1-OG1 3.35Å
56F88.2Confident85.2Confident3 Ų357.2 Ų57.21%0.01330%0.295CS..EExtended strand (participates in β ladder)trans-146153.2170.363.7-89.3000110.1R40 L41 F43 I61 I74 T76 Y81R40-F56 WeakPolarHBondContact CA-O 3.34Å; L41-F56 HydrophobicContact CB-CE1 4.07Å; L41-F56 HydrophobicContact CB-CE2 4.29Å; L41-F56 HydrophobicContact CB-CZ 3.92Å; L41-F56 HydrophobicContact CD1-CZ 4.05Å; L41-F56 HydrophobicContact CD2-CE1 3.97Å; L41-F56 HydrophobicContact CD2-CZ 4.29Å; L41-F56 HydrophobicContact CG-CE1 4.43Å; L41-F56 HydrophobicContact CG-CZ 4.33Å; L41-F56 PolarHBondContact N-O 3.09Å; L41-F56 PolarHBondContact O-N 3.1Å; L41-F56 VanDerWaalsContact O-N 3.12Å; F43-F56 HydrophobicContact CE2-CD1 4.36Å; F43-F56 AromaticContact CE2-CE1 3.78Å; F43-F56 HydrophobicContact CE2-CE1 3.78Å; F43-F56 HydrophobicContact CZ-CE1 4.27Å; F56-I61 HydrophobicContact CD2-CG1 4.25Å; F56-I61 HydrophobicContact CE2-CD1 3.97Å; F56-I61 HydrophobicContact CE2-CG1 3.75Å; F56-I74 HydrophobicContact CE2-CG2 4.1Å; F56-I74 HydrophobicContact CZ-CD1 4.25Å; F56-I74 HydrophobicContact CZ-CG2 3.94Å; F56-T76 HydrophobicContact CB-CG2 4.48Å; F56-T76 HydrophobicContact CD1-CG2 4.38Å; F56-T76 HydrophobicContact CD2-CG2 3.71Å; F56-T76 HydrophobicContact CE2-CG2 3.97Å; F56-T76 HydrophobicContact CG-CG2 3.95Å; F56-T76 HydrophobicContact CZ-CG2 4.4Å; F56-Y81 HydrophobicContact CD1-CD2 4.29Å; F56-Y81 AromaticContact CD1-CE2 3.68Å; F56-Y81 HydrophobicContact CD1-CE2 3.68Å; F56-Y81 AromaticContact CE1-CD2 3.87Å; F56-Y81 HydrophobicContact CE1-CD2 3.87Å; F56-Y81 AromaticContact CE1-CE2 3.75Å; F56-Y81 HydrophobicContact CE1-CE2 3.75Å; F56-Y81 HydrophobicContact CG-CE2 4.48Å; F56-Y81 HydrophobicContact CZ-CD2 4.45Å
57N88.9Confident85Confident0 Ų057 Ų570%029%0.288CS..EExtended strand (participates in β ladder)trans-84.4149.7174.9-177.7-71.1000110.3W39 R40 L59 E60 D152 Y153W39-N57 WeakPolarHBondContact O-CA 3.29Å; W39-N57 PolarHBondContact O-ND2 3.32Å; R40-N57 HydrophobicContact CG-CB 4.22Å; N57-L59 PolarHBondContact O-N 3.34Å; N57-L59 VanDerWaalsContact O-N 3.17Å; N57-L59 VanDerWaalsContact OD1-CB 3.26Å; N57-L59 WeakPolarHBondContact OD1-CB 3.28Å; N57-L59 VanDerWaalsContact OD1-CG 3.3Å; N57-L59 WeakPolarHBondContact OD1-CG 3.39Å; N57-L59 PolarHBondContact OD1-N 2.65Å; N57-E60 PolarHBondContact N-OE1 2.93Å; N57-E60 WeakPolarHBondContact O-CB 3.44Å; N57-E60 PolarHBondContact O-N 3.48Å; N57-D152 PolarHBondContact ND2-OD2 3.01Å; N57-Y153 HydrophobicContact CB-CD2 3.83Å
58F86.8Confident84.5Confident1 Ų154.5 Ų54.50%0.00429%0.288CS..G310 helixtrans-61-25-179.4-57.1-27.1000113.7L36 T38 W39 R40 L41 E60 I61 I98 A101 L102L36-F58 HydrophobicContact CD2-CE1 4.12Å; L36-F58 HydrophobicContact CD2-CZ 4.01Å; T38-F58 VanDerWaalsContact O-CE2 3.31Å; T38-F58 WeakPolarHBondContact O-CE2 3.25Å; W39-F58 WeakPolarHBondContact O-CD2 3.3Å; W39-F58 WeakPolarHBondContact O-CG 3.13Å; W39-F58 PolarHBondContact O-N 2.89Å; R40-F58 VanDerWaalsContact C-CE1 3.46Å; L41-F58 HydrophobicContact CB-CE1 4.06Å; F58-E60 PolarHBondContact O-N 2.68Å; F58-I61 HydrophobicContact CB-CD1 4.22Å; F58-I61 HydrophobicContact CD1-CD1 4.24Å; F58-I61 WeakPolarHBondContact O-CB 3.32Å; F58-I61 VanDerWaalsContact O-CG1 3.32Å; F58-I61 WeakPolarHBondContact O-CG1 3.31Å; F58-I61 PolarHBondContact O-N 2.81Å; F58-I98 HydrophobicContact CD1-CG1 4.16Å; F58-I98 HydrophobicContact CE1-CG1 3.92Å; F58-I98 HydrophobicContact CZ-CG1 4.2Å; F58-A101 HydrophobicContact CD2-CB 3.6Å; F58-A101 HydrophobicContact CE2-CB 3.76Å; F58-L102 HydrophobicContact CB-CD2 4.05Å; F58-L102 HydrophobicContact CB-CG 4.32Å
59L84Confident84.3Confident39 Ų3954.7 Ų54.720%0.20429%0.29CS..G310 helixtrans-67.5-17.3173.9-62.9177.6000113.5N57 I61 L102 I105 F106 L150 Y153N57-L59 PolarHBondContact O-N 3.34Å; N57-L59 VanDerWaalsContact O-N 3.17Å; N57-L59 VanDerWaalsContact OD1-CB 3.26Å; N57-L59 WeakPolarHBondContact OD1-CB 3.28Å; N57-L59 VanDerWaalsContact OD1-CG 3.3Å; N57-L59 WeakPolarHBondContact OD1-CG 3.39Å; N57-L59 PolarHBondContact OD1-N 2.65Å; L59-I61 VanDerWaalsContact C-N 3.27Å; L59-I61 PolarHBondContact O-N 2.62Å; L59-L102 HydrophobicContact CD2-CD2 4.18Å; L59-I105 HydrophobicContact CD2-CD1 4.14Å; L59-I105 HydrophobicContact CD2-CG2 4.29Å; L59-F106 HydrophobicContact CD2-CE1 4.41Å; L59-F106 HydrophobicContact CD2-CE2 3.76Å; L59-F106 HydrophobicContact CD2-CZ 3.43Å; L59-F106 VanDerWaalsContact CD2-CZ 3.43Å; L59-L150 HydrophobicContact CD1-CD2 3.67Å; L59-L150 HydrophobicContact CD1-CG 4.44Å; L59-Y153 HydrophobicContact CB-CD2 4.2Å; L59-Y153 HydrophobicContact CB-CE2 4.49Å; L59-Y153 HydrophobicContact CB-CG 4.34Å; L59-Y153 HydrophobicContact CD1-CD1 4.33Å; L59-Y153 HydrophobicContact CD1-CG 4.07Å
60E85.4Confident84.4Confident31 Ų3153 Ų5315%0.14527%0.273CS..G310 helixtrans-79.1-9174.4-62.9177.6-119.300112.9N57 F58 R62 T76 D77 Y153N57-E60 PolarHBondContact N-OE1 2.93Å; N57-E60 WeakPolarHBondContact O-CB 3.44Å; N57-E60 PolarHBondContact O-N 3.48Å; F58-E60 PolarHBondContact O-N 2.68Å; E60-R62 PolarHBondContact O-N 2.86Å; E60-T76 HydrophobicContact CB-CG2 4.48Å; E60-T76 CarbonylContact O-C 3.3Å; E60-T76 WeakPolarHBondContact O-CA 3.23Å; E60-T76 WeakPolarHBondContact O-CB 3.47Å; E60-D77 PolarHBondContact O-N 3.12Å; E60-D77 VanDerWaalsContact O-N 3.16Å; E60-Y153 HydrophobicContact CG-CD2 4.29Å; E60-Y153 HydrophobicContact CG-CE2 3.59Å
61I85.2Confident84.6Confident12 Ų1254.1 Ų54.16%0.06228%0.277CS..EExtended strand (participates in β ladder)trans-77.8118.2-174.4-59172.5000110.2F56 F58 L59 L64 I74 I98F56-I61 HydrophobicContact CD2-CG1 4.25Å; F56-I61 HydrophobicContact CE2-CD1 3.97Å; F56-I61 HydrophobicContact CE2-CG1 3.75Å; F58-I61 HydrophobicContact CB-CD1 4.22Å; F58-I61 HydrophobicContact CD1-CD1 4.24Å; F58-I61 WeakPolarHBondContact O-CB 3.32Å; F58-I61 VanDerWaalsContact O-CG1 3.32Å; F58-I61 WeakPolarHBondContact O-CG1 3.31Å; F58-I61 PolarHBondContact O-N 2.81Å; L59-I61 VanDerWaalsContact C-N 3.27Å; L59-I61 PolarHBondContact O-N 2.62Å; I61-L64 HydrophobicContact CG2-CB 4.49Å; I61-I74 HydrophobicContact CD1-CG2 4.23Å; I61-I74 HydrophobicContact CG1-CG2 4Å; I61-I74 HydrophobicContact CG2-CG2 4.07Å; I61-I98 HydrophobicContact CD1-CD1 4.46Å; I61-I98 HydrophobicContact CD1-CG2 3.64Å
62R81.8Confident84.7Confident158 Ų15846.8 Ų46.860%0.59625%0.245SC*.EExtended strand (participates in β ladder)trans-90.2-38.7173.1-67.4-169.7174171.27.4113E60 D75 D77E60-R62 PolarHBondContact O-N 2.86Å; R62-D75 PolarHBondContact N-O 3.47Å; R62-D77 IonicContact CZ-OD1 2.77Å; R62-D77 IonicContact NE-OD1 3.76Å; R62-D77 PolarHBondContact NE-OD1 3.42Å; R62-D77 IonicContact NH2-OD1 3.77Å; R62-D77 PolarHBondContact NH2-OD1 2.84Å
63A81.8Confident84.7Confident7 Ų746.5 Ų46.56%0.05824%0.242CC..EExtended strand (participates in β ladder)trans-147141.9-179.200000111.3D75A63-D75 HydrophobicContact CB-CB 4.18Å; A63-D75 PolarHBondContact N-O 3.08Å; A63-D75 PolarHBondContact O-N 2.83Å
64L84.8Confident84.8Confident19 Ų1942.6 Ų42.610%0.09922%0.224CC..EExtended strand (participates in β ladder)trans-128.9106.9177-174.666.9000108.8I61 V72 I74 V95 I98 I114I61-L64 HydrophobicContact CG2-CB 4.49Å; L64-V72 HydrophobicContact CD1-CG2 3.67Å; L64-V72 HydrophobicContact CG-CG2 4.34Å; L64-I74 HydrophobicContact CD1-CB 4.38Å; L64-I74 HydrophobicContact CD1-CD1 4.08Å; L64-I74 HydrophobicContact CD1-CG1 3.65Å; L64-I74 HydrophobicContact CD1-CG2 4.37Å; L64-V95 HydrophobicContact CD2-CB 4.48Å; L64-V95 HydrophobicContact CD2-CG1 3.96Å; L64-V95 HydrophobicContact CD2-CG2 4.35Å; L64-I98 HydrophobicContact CD2-CG2 4.34Å; L64-I114 HydrophobicContact CB-CG2 4.04Å
65N85Confident84.7Confident23 Ų2342.2 Ų42.212%0.12322%0.22CC..EExtended strand (participates in β ladder)trans-116.3112.1-176.1-63-60.8000110.6V72 I73 A116 K117N65-V72 CarbonylContact O-C 3.51Å; N65-V72 WeakPolarHBondContact O-CA 3.21Å; N65-I73 HydrophobicContact CB-CB 4.42Å; N65-I73 PolarHBondContact N-O 2.85Å; N65-I73 PolarHBondContact O-N 3.5Å; N65-A116 WeakPolarHBondContact OD1-CA 3.47Å; N65-K117 PolarHBondContact OD1-N 3.44Å
66S82.8Confident84.5Confident58 Ų5840.3 Ų40.341%0.40621%0.208SC..EExtended strand (participates in β ladder)trans-89.7132.3173.361.90000111.2
67H80.8Confident83.9Confident63 Ų6343.5 Ų43.529%0.29223%0.225SC..  trans-108.6162.7177.2-71.5-84000111.7D69 Q71 R88H67-D69 VanDerWaalsContact C-N 3.34Å; H67-D69 PolarHBondContact O-N 3.48Å; H67-Q71 HydrophobicContact CB-CB 4.21Å; H67-Q71 PolarHBondContact N-O 3.06Å; H67-R88 PolarHBondContact O-NH1 3.12Å
68P73.8Confident83.5Confident103 Ų10351.8 Ų51.867%0.66926%0.261SS*.SBendtrans-60.4-38.1-178.6-2434.7000113.7H70 R88P68-H70 PolarHBondContact O-N 2.78Å; P68-R88 PolarHBondContact O-NH1 3.18Å; P68-R88 VanDerWaalsContact O-NH1 3.08Å
69D77.5Confident83.4Confident129 Ų12953.9 Ų53.969%0.6927%0.274SS*.SBendtrans-78.339.3-171.4-55.9-33.3000114.5H67 Q71H67-D69 VanDerWaalsContact C-N 3.34Å; H67-D69 PolarHBondContact O-N 3.48Å; D69-Q71 PolarHBondContact O-N 3.03Å
70H85Confident83.5Confident70 Ų7054.4 Ų54.432%0.32429%0.288SS..SBendtrans52.429.4-175.6-52.4166.4000112.9P68 F85P68-H70 PolarHBondContact O-N 2.78Å; H70-F85 HydrophobicContact CB-CB 4.45Å; H70-F85 VanDerWaalsContact CB-O 3.29Å; H70-F85 WeakPolarHBondContact CB-O 3.04Å; H70-F85 PolarHBondContact O-N 3.08Å
71Q86.7Confident83.6Confident32 Ų3254.4 Ų54.415%0.1529%0.287CS..EExtended strand (participates in β ladder)trans-108.6138.1-176.4-174.5-177.446.600110.3H67 D69 T82 L83 R84H67-Q71 HydrophobicContact CB-CB 4.21Å; H67-Q71 PolarHBondContact N-O 3.06Å; D69-Q71 PolarHBondContact O-N 3.03Å; Q71-T82 HydrophobicContact CG-CG2 3.88Å; Q71-L83 CarbonylContact C-O 3.32Å; Q71-L83 WeakPolarHBondContact CA-O 3.08Å; Q71-R84 HydrophobicContact CB-CG 4.23Å; Q71-R84 HydrophobicContact CG-CG 4.08Å
72V87.8Confident83.8Confident1 Ų155.3 Ų55.31%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-127.1136.717076.80000109.6L64 N65 I74 L83 F85 L91 V95L64-V72 HydrophobicContact CD1-CG2 3.67Å; L64-V72 HydrophobicContact CG-CG2 4.34Å; N65-V72 CarbonylContact O-C 3.51Å; N65-V72 WeakPolarHBondContact O-CA 3.21Å; V72-I74 HydrophobicContact CG1-CD1 4.39Å; V72-I74 HydrophobicContact CG1-CG1 4.17Å; V72-I74 HydrophobicContact CG2-CG1 4.47Å; V72-L83 HydrophobicContact CG1-CB 3.93Å; V72-L83 HydrophobicContact CG1-CD1 3.85Å; V72-L83 HydrophobicContact CG1-CG 4.02Å; V72-L83 PolarHBondContact N-O 2.87Å; V72-L83 PolarHBondContact O-N 3.47Å; V72-F85 HydrophobicContact CG1-CE2 3.68Å; V72-F85 HydrophobicContact CG1-CZ 4.43Å; V72-L91 HydrophobicContact CB-CD1 4.17Å; V72-V95 HydrophobicContact CG2-CG2 4.06Å
73I87.9Confident84.2Confident40 Ų4047.8 Ų47.821%0.20527%0.265CS..EExtended strand (participates in β ladder)trans-108.3119.2174-55176.5000107.5N65 Y81 T82N65-I73 HydrophobicContact CB-CB 4.42Å; N65-I73 PolarHBondContact N-O 2.85Å; N65-I73 PolarHBondContact O-N 3.5Å; I73-Y81 CarbonylContact C-O 3.58Å; I73-Y81 WeakPolarHBondContact CA-O 3.35Å; I73-T82 HydrophobicContact CG1-CG2 4.26Å
74I88.6Confident84.5Confident0 Ų052.7 Ų52.70%028%0.282CS..EExtended strand (participates in β ladder)trans-111.1108.1178.1-44.9-171.2000107.9L41 F56 I61 L64 V72 G80 Y81 L83 I98L41-I74 HydrophobicContact CD1-CD1 4.27Å; F56-I74 HydrophobicContact CE2-CG2 4.1Å; F56-I74 HydrophobicContact CZ-CD1 4.25Å; F56-I74 HydrophobicContact CZ-CG2 3.94Å; I61-I74 HydrophobicContact CD1-CG2 4.23Å; I61-I74 HydrophobicContact CG1-CG2 4Å; I61-I74 HydrophobicContact CG2-CG2 4.07Å; L64-I74 HydrophobicContact CD1-CB 4.38Å; L64-I74 HydrophobicContact CD1-CD1 4.08Å; L64-I74 HydrophobicContact CD1-CG1 3.65Å; L64-I74 HydrophobicContact CD1-CG2 4.37Å; V72-I74 HydrophobicContact CG1-CD1 4.39Å; V72-I74 HydrophobicContact CG1-CG1 4.17Å; V72-I74 HydrophobicContact CG2-CG1 4.47Å; I74-G80 CarbonylContact O-C 3.32Å; I74-G80 WeakPolarHBondContact O-CA 3.23Å; I74-Y81 PolarHBondContact N-O 3.39Å; I74-Y81 PolarHBondContact O-N 3.31Å; I74-L83 HydrophobicContact CD1-CD1 3.81Å; I74-L83 HydrophobicContact CG1-CD1 4.39Å; I74-I98 HydrophobicContact CD1-CD1 4.4Å
75D86Confident84.7Confident47 Ų4752.3 Ų52.325%0.25128%0.28SS..EExtended strand (participates in β ladder)trans-93.1118.8175-66.7-36000109.3R62 A63R62-D75 PolarHBondContact N-O 3.47Å; A63-D75 HydrophobicContact CB-CB 4.18Å; A63-D75 PolarHBondContact N-O 3.08Å; A63-D75 PolarHBondContact O-N 2.83Å
76T85.7Confident84.7Confident11 Ų1157.9 Ų57.97%0.06731%0.305CS..EExtended strand (participates in β ladder)trans-100.1174.2171.367.10000111.3F56 E60 K78 T79 Y81F56-T76 HydrophobicContact CB-CG2 4.48Å; F56-T76 HydrophobicContact CD1-CG2 4.38Å; F56-T76 HydrophobicContact CD2-CG2 3.71Å; F56-T76 HydrophobicContact CE2-CG2 3.97Å; F56-T76 HydrophobicContact CG-CG2 3.95Å; F56-T76 HydrophobicContact CZ-CG2 4.4Å; E60-T76 HydrophobicContact CB-CG2 4.48Å; E60-T76 CarbonylContact O-C 3.3Å; E60-T76 WeakPolarHBondContact O-CA 3.23Å; E60-T76 WeakPolarHBondContact O-CB 3.47Å; T76-K78 PolarHBondContact O-N 3.32Å; T76-K78 VanDerWaalsContact O-N 3.15Å; T76-K78 PolarHBondContact OG1-N 3.02Å; T76-T79 PolarHBondContact N-O 2.89Å; T76-T79 PolarHBondContact OG1-N 2.8Å; T76-T79 PolarHBondContact OG1-O 3.02Å; T76-T79 PolarHBondContact OG1-OG1 3.4Å; T76-Y81 HydrophobicContact CG2-CD2 4.19Å; T76-Y81 HydrophobicContact CG2-CE2 3.9Å
77D75.3Confident84.9Confident70 Ų7056.7 Ų56.737%0.37430%0.297SS..SBendtrans-52.2-33173.1-75.4-20.7000113.9E60 R62E60-D77 PolarHBondContact O-N 3.12Å; E60-D77 VanDerWaalsContact O-N 3.16Å; R62-D77 IonicContact CZ-OD1 2.77Å; R62-D77 IonicContact NE-OD1 3.76Å; R62-D77 PolarHBondContact NE-OD1 3.42Å; R62-D77 IonicContact NH2-OD1 3.77Å; R62-D77 PolarHBondContact NH2-OD1 2.84Å
78K80.5Confident85Confident173 Ų17357.6 Ų57.675%0.75230%0.298SS*.SBendtrans-107.3-37.3-171.2-63.4173-174.6160.90112.8T76T76-K78 PolarHBondContact O-N 3.32Å; T76-K78 VanDerWaalsContact O-N 3.15Å; T76-K78 PolarHBondContact OG1-N 3.02Å
79T84.6Confident85.5Confident46 Ų4659.7 Ų59.728%0.28230%0.298SS..  trans-150.1142.2-169.246.50000112.9T76 Y81T76-T79 PolarHBondContact N-O 2.89Å; T76-T79 PolarHBondContact OG1-N 2.8Å; T76-T79 PolarHBondContact OG1-O 3.02Å; T76-T79 PolarHBondContact OG1-OG1 3.4Å; T79-Y81 VanDerWaalsContact OG1-CE2 3.31Å; T79-Y81 WeakPolarHBondContact OG1-CE2 3.25Å; T79-Y81 VanDerWaalsContact OG1-CZ 3.24Å; T79-Y81 PolarHBondContact OG1-OH 3.48Å; T79-Y81 VanDerWaalsContact OG1-OH 3.1Å
80G86.6Confident85.9Confident49 Ų4956.5 Ų56.551%0.50528%0.28SS..EExtended strand (participates in β ladder)trans-89.7134.9166.600000111.3I74I74-G80 CarbonylContact O-C 3.32Å; I74-G80 WeakPolarHBondContact O-CA 3.23Å
81Y87.8Confident85.9Confident31 Ų3153.2 Ų53.212%0.12226%0.264CS..EExtended strand (participates in β ladder)trans-116.1126177.5-60.2-83.6000110.1L22 F43 F56 I73 I74 T76 T79L22-Y81 HydrophobicContact CD1-CD1 4.23Å; F43-Y81 HydrophobicContact CD2-CE1 4.36Å; F43-Y81 AromaticContact CE2-CD1 3.73Å; F43-Y81 HydrophobicContact CE2-CD1 3.73Å; F43-Y81 AromaticContact CE2-CE1 3.84Å; F43-Y81 HydrophobicContact CE2-CE1 3.84Å; F43-Y81 HydrophobicContact CE2-CG 4.14Å; F43-Y81 HydrophobicContact CZ-CD1 4.24Å; F43-Y81 HydrophobicContact CZ-CG 4.41Å; F56-Y81 HydrophobicContact CD1-CD2 4.29Å; F56-Y81 AromaticContact CD1-CE2 3.68Å; F56-Y81 HydrophobicContact CD1-CE2 3.68Å; F56-Y81 AromaticContact CE1-CD2 3.87Å; F56-Y81 HydrophobicContact CE1-CD2 3.87Å; F56-Y81 AromaticContact CE1-CE2 3.75Å; F56-Y81 HydrophobicContact CE1-CE2 3.75Å; F56-Y81 HydrophobicContact CG-CE2 4.48Å; F56-Y81 HydrophobicContact CZ-CD2 4.45Å; I73-Y81 CarbonylContact C-O 3.58Å; I73-Y81 WeakPolarHBondContact CA-O 3.35Å; I74-Y81 PolarHBondContact N-O 3.39Å; I74-Y81 PolarHBondContact O-N 3.31Å; T76-Y81 HydrophobicContact CG2-CD2 4.19Å; T76-Y81 HydrophobicContact CG2-CE2 3.9Å; T79-Y81 VanDerWaalsContact OG1-CE2 3.31Å; T79-Y81 WeakPolarHBondContact OG1-CE2 3.25Å; T79-Y81 VanDerWaalsContact OG1-CZ 3.24Å; T79-Y81 PolarHBondContact OG1-OH 3.48Å; T79-Y81 VanDerWaalsContact OG1-OH 3.1Å
82T89.4Confident85.8Confident32 Ų3255.2 Ų55.220%0.19628%0.276CS..EExtended strand (participates in β ladder)trans-110.5110.5176.2-62.50000108.9D23 Q71 I73D23-T82 HydrophobicContact CB-CG2 4.09Å; D23-T82 PolarHBondContact N-O 3.44Å; D23-T82 VanDerWaalsContact OD2-CG2 3.25Å; D23-T82 WeakPolarHBondContact OD2-CG2 3.21Å; Q71-T82 HydrophobicContact CG-CG2 3.88Å; I73-T82 HydrophobicContact CG1-CG2 4.26Å
83L89.8Confident85.7Confident0 Ų059.6 Ų59.60%030%0.296CS..EExtended strand (participates in β ladder)trans-110.2135.6-174.6-36.6175.8000109.8I20 L22 L34 F43 Q71 V72 I74 F85I20-L83 HydrophobicContact CD1-CB 4.22Å; I20-L83 HydrophobicContact CD1-CD1 4.49Å; I20-L83 HydrophobicContact CD1-CD2 3.72Å; I20-L83 HydrophobicContact CD1-CG 4.37Å; L22-L83 HydrophobicContact CD1-CD2 3.39Å; L34-L83 HydrophobicContact CD1-CD1 3.87Å; F43-L83 HydrophobicContact CE1-CD1 4.21Å; F43-L83 HydrophobicContact CE1-CD2 3.63Å; F43-L83 HydrophobicContact CZ-CD1 4.17Å; F43-L83 HydrophobicContact CZ-CD2 3.6Å; Q71-L83 CarbonylContact C-O 3.32Å; Q71-L83 WeakPolarHBondContact CA-O 3.08Å; V72-L83 HydrophobicContact CG1-CB 3.93Å; V72-L83 HydrophobicContact CG1-CD1 3.85Å; V72-L83 HydrophobicContact CG1-CG 4.02Å; V72-L83 PolarHBondContact N-O 2.87Å; V72-L83 PolarHBondContact O-N 3.47Å; I74-L83 HydrophobicContact CD1-CD1 3.81Å; I74-L83 HydrophobicContact CG1-CD1 4.39Å; L83-F85 HydrophobicContact CB-CE2 3.9Å; L83-F85 HydrophobicContact CB-CZ 4.33Å; L83-F85 HydrophobicContact CD1-CE2 4.43Å; L83-F85 HydrophobicContact CD1-CZ 4.24Å
84R88.8Confident85.6Confident110 Ų11057.8 Ų57.842%0.41529%0.287SS..EExtended strand (participates in β ladder)trans-114.7130.1170.6-64.2-179.8-168.2169.913.9110.1K21 D23 Q71K21-R84 HydrophobicContact CB-CB 4.24Å; K21-R84 PolarHBondContact N-O 3.38Å; K21-R84 PolarHBondContact O-N 2.86Å; D23-R84 IonicContact OD1-CZ 3.38Å; D23-R84 IonicContact OD1-NE 3.12Å; D23-R84 IonicContact OD1-NH2 3.81Å; D23-R84 IonicContact OD2-CZ 2.62Å; D23-R84 IonicContact OD2-NE 3.51Å; D23-R84 PolarHBondContact OD2-NE 3.38Å; D23-R84 IonicContact OD2-NH2 3.52Å; D23-R84 PolarHBondContact OD2-NH2 3.14Å; Q71-R84 HydrophobicContact CB-CG 4.23Å; Q71-R84 HydrophobicContact CG-CG 4.08Å
85F89.3Confident85.5Confident11 Ų1159 Ų595%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-105.2149-178.2-66.5-94.1000111.5I20 L34 H70 V72 L83 H90 L91 V94I20-F85 HydrophobicContact CG2-CD1 3.57Å; I20-F85 HydrophobicContact CG2-CE1 3.36Å; I20-F85 HydrophobicContact CG2-CG 4.32Å; I20-F85 HydrophobicContact CG2-CZ 3.98Å; L34-F85 HydrophobicContact CD1-CE1 4.31Å; L34-F85 HydrophobicContact CD1-CZ 4.14Å; H70-F85 HydrophobicContact CB-CB 4.45Å; H70-F85 VanDerWaalsContact CB-O 3.29Å; H70-F85 WeakPolarHBondContact CB-O 3.04Å; H70-F85 PolarHBondContact O-N 3.08Å; V72-F85 HydrophobicContact CG1-CE2 3.68Å; V72-F85 HydrophobicContact CG1-CZ 4.43Å; L83-F85 HydrophobicContact CB-CE2 3.9Å; L83-F85 HydrophobicContact CB-CZ 4.33Å; L83-F85 HydrophobicContact CD1-CE2 4.43Å; L83-F85 HydrophobicContact CD1-CZ 4.24Å; F85-H90 HydrophobicContact CD1-CB 3.97Å; F85-L91 HydrophobicContact CB-CB 4.26Å; F85-L91 HydrophobicContact CD2-CB 3.8Å; F85-L91 HydrophobicContact CD2-CD1 3.93Å; F85-L91 HydrophobicContact CD2-CG 4.17Å; F85-L91 HydrophobicContact CE2-CB 4.32Å; F85-L91 HydrophobicContact CE2-CD1 4.38Å; F85-L91 HydrophobicContact CE2-CG 4.42Å; F85-L91 HydrophobicContact CG-CB 4.01Å; F85-V94 HydrophobicContact CE1-CG2 3.82Å; F85-V94 HydrophobicContact CZ-CB 4.32Å; F85-V94 HydrophobicContact CZ-CG1 4.35Å; F85-V94 HydrophobicContact CZ-CG2 3.99Å
86E84.9Confident85.4Confident139 Ų13959.8 Ų59.865%0.6530%0.304SS*.SBendtrans-69.8-33.6174.7-66.3172.4-159.500112S19S19-E86 PolarHBondContact OG-OE1 2.95Å
87S85.9Confident85.4Confident34 Ų3460.8 Ų60.824%0.23831%0.307CS..  trans-126.5141.6-179.2172.20000111.8E89 H90 L91S87-E89 PolarHBondContact O-N 2.97Å; S87-E89 PolarHBondContact OG-N 2.73Å; S87-E89 VanDerWaalsContact OG-N 3.11Å; S87-H90 PolarHBondContact O-N 2.82Å; S87-L91 PolarHBondContact O-N 3.31Å
88R83.6Confident85.8Confident81 Ų8157.5 Ų57.531%0.30629%0.29SS..Hα-helixtrans-60.5-32.2171.5-169.571.5-166.3-172.66.8112.1H67 P68 L91 N92H67-R88 PolarHBondContact O-NH1 3.12Å; P68-R88 PolarHBondContact O-NH1 3.18Å; P68-R88 VanDerWaalsContact O-NH1 3.08Å; R88-L91 PolarHBondContact O-N 2.76Å; R88-N92 WeakPolarHBondContact O-CB 3.45Å; R88-N92 VanDerWaalsContact O-CG 3.23Å; R88-N92 PolarHBondContact O-N 3.34Å; R88-N92 PolarHBondContact O-ND2 2.99Å
89E84.6Confident85.9Confident147 Ų14751.5 Ų51.569%0.68727%0.266SS*.Hα-helixtrans-65.6-41.7178.7-64.7175.8170.200111.4S87 N92 H93S87-E89 PolarHBondContact O-N 2.97Å; S87-E89 PolarHBondContact OG-N 2.73Å; S87-E89 VanDerWaalsContact OG-N 3.11Å; E89-N92 PolarHBondContact O-N 2.96Å; E89-H93 WeakPolarHBondContact O-CB 3.29Å; E89-H93 PolarHBondContact O-N 3.34Å
90H86.1Confident85.8Confident63 Ų6352.5 Ų52.529%0.29227%0.267SS..Hα-helixtrans-63.4-42.7175.9-65.8167.7000111.7F16 F85 S87 H93 V94F16-H90 HydrophobicContact CZ-CB 4.33Å; F16-H90 AromaticContact CZ-CD2 3.74Å; F85-H90 HydrophobicContact CD1-CB 3.97Å; S87-H90 PolarHBondContact O-N 2.82Å; H90-H93 PolarHBondContact O-N 3.22Å; H90-V94 VanDerWaalsContact O-CG2 3.25Å; H90-V94 WeakPolarHBondContact O-CG2 3.49Å; H90-V94 PolarHBondContact O-N 2.74Å
91L85.1Confident85.6Confident1 Ų150.3 Ų50.31%0.00524%0.243CC..Hα-helixtrans-60.7-48.3174.6177146.5000111.2V72 F85 S87 R88 H93 V94 V95V72-L91 HydrophobicContact CB-CD1 4.17Å; F85-L91 HydrophobicContact CB-CB 4.26Å; F85-L91 HydrophobicContact CD2-CB 3.8Å; F85-L91 HydrophobicContact CD2-CD1 3.93Å; F85-L91 HydrophobicContact CD2-CG 4.17Å; F85-L91 HydrophobicContact CE2-CB 4.32Å; F85-L91 HydrophobicContact CE2-CD1 4.38Å; F85-L91 HydrophobicContact CE2-CG 4.42Å; F85-L91 HydrophobicContact CG-CB 4.01Å; S87-L91 PolarHBondContact O-N 3.31Å; R88-L91 PolarHBondContact O-N 2.76Å; L91-H93 VanDerWaalsContact C-N 3.31Å; L91-H93 PolarHBondContact O-N 3.05Å; L91-V94 PolarHBondContact O-N 3.33Å; L91-V95 HydrophobicContact CD2-CG2 4.4Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 2.83Å
92N83.9Confident85.2Confident74 Ų7449.4 Ų49.440%0.39624%0.241SC..Hα-helixtrans-61.9-41.6179.9-71.7-14000110.9R88 E89 V94 V95 S96R88-N92 WeakPolarHBondContact O-CB 3.45Å; R88-N92 VanDerWaalsContact O-CG 3.23Å; R88-N92 PolarHBondContact O-N 3.34Å; R88-N92 PolarHBondContact O-ND2 2.99Å; E89-N92 PolarHBondContact O-N 2.96Å; N92-V94 PolarHBondContact O-N 2.98Å; N92-V95 PolarHBondContact O-N 3.43Å; N92-S96 WeakPolarHBondContact O-CB 3.47Å; N92-S96 PolarHBondContact O-N 3.34Å; N92-S96 PolarHBondContact O-OG 2.88Å; N92-S96 VanDerWaalsContact O-OG 3.08Å
93H85.9Confident84.7Confident93 Ų9348.7 Ų48.743%0.43124%0.237SC..Hα-helixtrans-61.3-44.8177.8-164.299.9000111.9F16 E89 H90 L91 S96 H97F16-H93 AromaticContact CD2-CD2 3.9Å; F16-H93 AromaticContact CG-CD2 3.82Å; E89-H93 WeakPolarHBondContact O-CB 3.29Å; E89-H93 PolarHBondContact O-N 3.34Å; H90-H93 PolarHBondContact O-N 3.22Å; L91-H93 VanDerWaalsContact C-N 3.31Å; L91-H93 PolarHBondContact O-N 3.05Å; H93-S96 PolarHBondContact O-N 2.89Å; H93-H97 VanDerWaalsContact O-CB 3.28Å; H93-H97 WeakPolarHBondContact O-CB 3.32Å; H93-H97 PolarHBondContact O-N 2.69Å
94V85.5Confident84.1Confident1 Ų153.6 Ų53.61%0.00626%0.256CS..Hα-helixtrans-63-48.7178.5170.90000111.2F16 L34 L36 F85 H90 L91 N92 H97 I98F16-V94 HydrophobicContact CD1-CG2 4.2Å; F16-V94 HydrophobicContact CE1-CG2 4.11Å; L34-V94 HydrophobicContact CD2-CG2 4.34Å; L36-V94 HydrophobicContact CD1-CB 4.05Å; L36-V94 HydrophobicContact CD1-CG1 4.15Å; L36-V94 HydrophobicContact CD1-CG2 3.71Å; L36-V94 HydrophobicContact CD2-CG1 4.4Å; F85-V94 HydrophobicContact CE1-CG2 3.82Å; F85-V94 HydrophobicContact CZ-CB 4.32Å; F85-V94 HydrophobicContact CZ-CG1 4.35Å; F85-V94 HydrophobicContact CZ-CG2 3.99Å; H90-V94 VanDerWaalsContact O-CG2 3.25Å; H90-V94 WeakPolarHBondContact O-CG2 3.49Å; H90-V94 PolarHBondContact O-N 2.74Å; L91-V94 PolarHBondContact O-N 3.33Å; N92-V94 PolarHBondContact O-N 2.98Å; V94-H97 PolarHBondContact O-N 3.21Å; V94-I98 HydrophobicContact CG1-CD1 3.9Å; V94-I98 VanDerWaalsContact O-CG1 3.32Å; V94-I98 WeakPolarHBondContact O-CG1 3.27Å; V94-I98 PolarHBondContact O-N 3.38Å
95V85.2Confident83.5Confident26 Ų2648.4 Ų48.416%0.15824%0.236CC..Hα-helixtrans-64.5-43.8179.6171.40000111.1L64 V72 L91 N92 N99L64-V95 HydrophobicContact CD2-CB 4.48Å; L64-V95 HydrophobicContact CD2-CG1 3.96Å; L64-V95 HydrophobicContact CD2-CG2 4.35Å; V72-V95 HydrophobicContact CG2-CG2 4.06Å; L91-V95 HydrophobicContact CD2-CG2 4.4Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 2.83Å; N92-V95 PolarHBondContact O-N 3.43Å; V95-N99 WeakPolarHBondContact CG1-ND2 3.46Å; V95-N99 WeakPolarHBondContact O-CB 3.46Å; V95-N99 VanDerWaalsContact O-CG 3.29Å; V95-N99 PolarHBondContact O-N 3.43Å; V95-N99 PolarHBondContact O-ND2 2.87Å
96S84.8Confident82.6Confident64 Ų6449.1 Ų49.145%0.44824%0.239SC..Hα-helixtrans-63.6-41177.1-73.30000112.2N92 H93 N99 F100N92-S96 WeakPolarHBondContact O-CB 3.47Å; N92-S96 PolarHBondContact O-N 3.34Å; N92-S96 PolarHBondContact O-OG 2.88Å; N92-S96 VanDerWaalsContact O-OG 3.08Å; H93-S96 PolarHBondContact O-N 2.89Å; S96-N99 PolarHBondContact O-N 2.97Å; S96-F100 WeakPolarHBondContact O-CB 3.5Å; S96-F100 PolarHBondContact O-N 3.01Å
97H85.4Confident81.6Confident31 Ų3144.7 Ų44.714%0.14422%0.22CC..Hα-helixtrans-65.7-45.5177.9-177.670.3000112.2L36 A37 H93 V94 N99 F100 A101L36-H97 HydrophobicContact CD1-CB 4.29Å; A37-H97 PolarHBondContact O-NE2 2.82Å; H93-H97 VanDerWaalsContact O-CB 3.28Å; H93-H97 WeakPolarHBondContact O-CB 3.32Å; H93-H97 PolarHBondContact O-N 2.69Å; V94-H97 PolarHBondContact O-N 3.21Å; H97-N99 VanDerWaalsContact C-N 3.35Å; H97-N99 PolarHBondContact O-N 3.41Å; H97-F100 PolarHBondContact O-N 3.03Å; H97-A101 WeakPolarHBondContact O-CB 3.37Å; H97-A101 PolarHBondContact O-N 3.34Å
98I84.8Confident80.2Confident1 Ų148.1 Ų48.11%0.00524%0.236CC..Hα-helixtrans-59.6-47.8176.2-68.5168.1000110.2L36 L41 F58 I61 L64 I74 V94 F100 A101 L102L36-I98 HydrophobicContact CD2-CG1 4.48Å; L41-I98 HydrophobicContact CD1-CD1 4.3Å; F58-I98 HydrophobicContact CD1-CG1 4.16Å; F58-I98 HydrophobicContact CE1-CG1 3.92Å; F58-I98 HydrophobicContact CZ-CG1 4.2Å; I61-I98 HydrophobicContact CD1-CD1 4.46Å; I61-I98 HydrophobicContact CD1-CG2 3.64Å; L64-I98 HydrophobicContact CD2-CG2 4.34Å; I74-I98 HydrophobicContact CD1-CD1 4.4Å; V94-I98 HydrophobicContact CG1-CD1 3.9Å; V94-I98 VanDerWaalsContact O-CG1 3.32Å; V94-I98 WeakPolarHBondContact O-CG1 3.27Å; V94-I98 PolarHBondContact O-N 3.38Å; I98-F100 VanDerWaalsContact C-N 3.33Å; I98-F100 PolarHBondContact O-N 2.86Å; I98-A101 PolarHBondContact O-N 3.49Å; I98-L102 HydrophobicContact CG2-CD1 3.85Å; I98-L102 VanDerWaalsContact O-CG 3.32Å; I98-L102 WeakPolarHBondContact O-CG 3.4Å; I98-L102 PolarHBondContact O-N 2.87Å
99N82.6Confident78.7Confident48 Ų4848 Ų4826%0.25725%0.247SC..Hα-helixtrans-62.5-39.9178.1-75.6-36.5000112.2V95 S96 H97 S103 F111V95-N99 WeakPolarHBondContact CG1-ND2 3.46Å; V95-N99 WeakPolarHBondContact O-CB 3.46Å; V95-N99 VanDerWaalsContact O-CG 3.29Å; V95-N99 PolarHBondContact O-N 3.43Å; V95-N99 PolarHBondContact O-ND2 2.87Å; S96-N99 PolarHBondContact O-N 2.97Å; H97-N99 VanDerWaalsContact C-N 3.35Å; H97-N99 PolarHBondContact O-N 3.41Å; N99-S103 WeakPolarHBondContact O-CB 3.48Å; N99-S103 PolarHBondContact O-N 3.26Å; N99-F111 HydrophobicContact CB-CE1 4.29Å; N99-F111 HydrophobicContact CB-CZ 4.09Å
100F81.6Confident77Confident67 Ų6743 Ų4329%0.29423%0.225SC..Hα-helixtrans-67.5-40.3177.1176.6-101.3000112.6S96 H97 I98 S103 R104 F133S96-F100 WeakPolarHBondContact O-CB 3.5Å; S96-F100 PolarHBondContact O-N 3.01Å; H97-F100 PolarHBondContact O-N 3.03Å; I98-F100 VanDerWaalsContact C-N 3.33Å; I98-F100 PolarHBondContact O-N 2.86Å; F100-S103 PolarHBondContact O-N 2.89Å; F100-S103 PolarHBondContact O-OG 3.34Å; F100-R104 HydrophobicContact CZ-CG 4.35Å; F100-R104 WeakPolarHBondContact O-CG 3.32Å; F100-R104 PolarHBondContact O-N 2.86Å; F100-F133 AromaticContact CD2-CD1 3.92Å; F100-F133 HydrophobicContact CD2-CD1 3.92Å; F100-F133 AromaticContact CD2-CE1 3.58Å; F100-F133 HydrophobicContact CD2-CE1 3.58Å; F100-F133 HydrophobicContact CD2-CZ 4.05Å; F100-F133 AromaticContact CE2-CD1 3.65Å; F100-F133 HydrophobicContact CE2-CD1 3.65Å; F100-F133 AromaticContact CE2-CE1 3.66Å; F100-F133 HydrophobicContact CE2-CE1 3.66Å
101A81.5Confident75.1Confident2 Ų245.6 Ų45.62%0.01724%0.235CC..Hα-helixtrans-63.1-45.4175.500000110.9W39 F58 H97 I98 S103 R104 I105W39-A101 HydrophobicContact CE3-CB 4.1Å; W39-A101 HydrophobicContact CZ3-CB 4.04Å; F58-A101 HydrophobicContact CD2-CB 3.6Å; F58-A101 HydrophobicContact CE2-CB 3.76Å; H97-A101 WeakPolarHBondContact O-CB 3.37Å; H97-A101 PolarHBondContact O-N 3.34Å; I98-A101 PolarHBondContact O-N 3.49Å; A101-S103 VanDerWaalsContact C-N 3.35Å; A101-S103 PolarHBondContact O-N 3.07Å; A101-R104 PolarHBondContact O-N 3.18Å; A101-I105 WeakPolarHBondContact O-CG1 3.39Å; A101-I105 PolarHBondContact O-N 3.44Å
102L80.6Confident73Confident12 Ų1249.3 Ų49.36%0.06327%0.266CS..Hα-helixtrans-67.4-34.1177.4-67168.4000112.6F58 L59 I98 R104 I105 F106 I114F58-L102 HydrophobicContact CB-CD2 4.05Å; F58-L102 HydrophobicContact CB-CG 4.32Å; L59-L102 HydrophobicContact CD2-CD2 4.18Å; I98-L102 HydrophobicContact CG2-CD1 3.85Å; I98-L102 VanDerWaalsContact O-CG 3.32Å; I98-L102 WeakPolarHBondContact O-CG 3.4Å; I98-L102 PolarHBondContact O-N 2.87Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 2.68Å; L102-I105 PolarHBondContact O-N 3.12Å; L102-F106 HydrophobicContact CD2-CE2 3.97Å; L102-F106 WeakPolarHBondContact O-CD2 3.43Å; L102-F106 PolarHBondContact O-N 3.29Å; L102-F106 VanDerWaalsContact O-N 3.14Å; L102-I114 HydrophobicContact CD1-CD1 3.43Å; L102-I114 VanDerWaalsContact CD1-CD1 3.43Å
103S78.1Confident70.9Confident18 Ų1852.4 Ų52.413%0.12628%0.282CS..Hα-helixtrans-61.4-38.9176.4810000112.1N99 F100 A101 N107 N108 F111N99-S103 WeakPolarHBondContact O-CB 3.48Å; N99-S103 PolarHBondContact O-N 3.26Å; F100-S103 PolarHBondContact O-N 2.89Å; F100-S103 PolarHBondContact O-OG 3.34Å; A101-S103 VanDerWaalsContact C-N 3.35Å; A101-S103 PolarHBondContact O-N 3.07Å; S103-N107 WeakPolarHBondContact O-CA 3.45Å; S103-N107 PolarHBondContact O-N 3.16Å; S103-N108 WeakPolarHBondContact CB-OD1 3.36Å; S103-N108 PolarHBondContact O-N 3.14Å; S103-N108 VanDerWaalsContact O-N 3.13Å; S103-F111 VanDerWaalsContact CB-CE2 3.48Å
104R77.2Confident69Low103 Ų10350.2 Ų50.239%0.38927%0.273SS..Hα-helixtrans-70-43.5178.4-73-176.573.9177.18.9112.5F100 A101 L102 F106 E145F100-R104 HydrophobicContact CZ-CG 4.35Å; F100-R104 WeakPolarHBondContact O-CG 3.32Å; F100-R104 PolarHBondContact O-N 2.86Å; A101-R104 PolarHBondContact O-N 3.18Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 2.68Å; R104-F106 VanDerWaalsContact C-N 3.34Å; R104-F106 PolarHBondContact O-N 3.19Å; R104-E145 WeakPolarHBondContact CB-OE2 3.43Å; R104-E145 IonicContact CZ-OE1 3.34Å; R104-E145 IonicContact CZ-OE2 3.59Å; R104-E145 IonicContact NE-OE1 3Å; R104-E145 IonicContact NE-OE2 3.8Å; R104-E145 PolarHBondContact NE-OE2 2.93Å; R104-E145 IonicContact NH2-OE1 3.2Å; R104-E145 PolarHBondContact NH2-OE1 3.09Å; R104-E145 IonicContact NH2-OE2 2.65Å; R104-E145 PolarHBondContact NH2-OE2 2.97Å; R104-E145 VanDerWaalsContact NH2-OE2 3.12Å
105I76.3Confident66.9Low1 Ų157.7 Ų57.71%0.00531%0.306CS..Hα-helixtrans-64.2-39.7-180-62.7165000111.7W39 L59 A101 L102 T146 A149W39-I105 HydrophobicContact CE3-CD1 3.74Å; W39-I105 HydrophobicContact CE3-CG1 4.18Å; W39-I105 HydrophobicContact CH2-CG1 4.18Å; W39-I105 HydrophobicContact CZ3-CD1 3.73Å; W39-I105 HydrophobicContact CZ3-CG1 3.67Å; L59-I105 HydrophobicContact CD2-CD1 4.14Å; L59-I105 HydrophobicContact CD2-CG2 4.29Å; A101-I105 WeakPolarHBondContact O-CG1 3.39Å; A101-I105 PolarHBondContact O-N 3.44Å; L102-I105 PolarHBondContact O-N 3.12Å; I105-T146 HydrophobicContact CG2-CG2 4.02Å; I105-T146 PolarHBondContact O-OG1 3.42Å; I105-A149 HydrophobicContact CD1-CB 3.53Å; I105-A149 HydrophobicContact CG1-CB 3.68Å
106F71.4Confident64.6Low25 Ų2559 Ų5911%0.1132%0.319CS..THydrogen-bonded Turntrans-106.410.9-172.4-60.7-57.1000114.5L59 L102 R104 N108 S109 I110 Y200L59-F106 HydrophobicContact CD2-CE1 4.41Å; L59-F106 HydrophobicContact CD2-CE2 3.76Å; L59-F106 HydrophobicContact CD2-CZ 3.43Å; L59-F106 VanDerWaalsContact CD2-CZ 3.43Å; L102-F106 HydrophobicContact CD2-CE2 3.97Å; L102-F106 WeakPolarHBondContact O-CD2 3.43Å; L102-F106 PolarHBondContact O-N 3.29Å; L102-F106 VanDerWaalsContact O-N 3.14Å; R104-F106 VanDerWaalsContact C-N 3.34Å; R104-F106 PolarHBondContact O-N 3.19Å; F106-N108 PolarHBondContact O-N 3.03Å; F106-N108 VanDerWaalsContact O-N 3.09Å; F106-S109 VanDerWaalsContact O-CB 3.31Å; F106-S109 WeakPolarHBondContact O-CB 3.43Å; F106-S109 PolarHBondContact O-N 3.23Å; F106-S109 PolarHBondContact O-OG 3.34Å; F106-I110 HydrophobicContact CB-CB 3.88Å; F106-I110 HydrophobicContact CB-CD1 4.14Å; F106-I110 HydrophobicContact CB-CG1 3.93Å; F106-I110 HydrophobicContact CD1-CB 4.49Å; F106-I110 HydrophobicContact CD1-CD1 3.35Å; F106-I110 HydrophobicContact CD1-CG1 4.11Å; F106-I110 HydrophobicContact CD2-CB 4.01Å; F106-I110 HydrophobicContact CD2-CD1 4.25Å; F106-I110 HydrophobicContact CD2-CG2 4.25Å; F106-I110 HydrophobicContact CE1-CD1 3.64Å; F106-I110 HydrophobicContact CE2-CD1 4.48Å; F106-I110 HydrophobicContact CE2-CG2 4.45Å; F106-I110 HydrophobicContact CG-CB 3.89Å; F106-I110 HydrophobicContact CG-CD1 3.67Å; F106-I110 HydrophobicContact CG-CG1 3.95Å; F106-I110 HydrophobicContact CZ-CD1 4.18Å; F106-Y200 AromaticContact CD1-CD1 3.57Å; F106-Y200 HydrophobicContact CD1-CD1 3.57Å; F106-Y200 AromaticContact CD1-CD2 3.9Å; F106-Y200 HydrophobicContact CD1-CD2 3.9Å; F106-Y200 HydrophobicContact CD1-CE1 4Å; F106-Y200 HydrophobicContact CD1-CE2 4.31Å; F106-Y200 AromaticContact CD1-CG 3.48Å; F106-Y200 HydrophobicContact CD1-CG 3.48Å; F106-Y200 VanDerWaalsContact CD1-CG 3.48Å; F106-Y200 AromaticContact CE1-CD1 3.79Å; F106-Y200 HydrophobicContact CE1-CD1 3.79Å; F106-Y200 AromaticContact CE1-CD2 3.66Å; F106-Y200 HydrophobicContact CE1-CD2 3.66Å; F106-Y200 AromaticContact CE1-CE1 3.77Å; F106-Y200 HydrophobicContact CE1-CE1 3.77Å; F106-Y200 AromaticContact CE1-CE2 3.65Å; F106-Y200 HydrophobicContact CE1-CE2 3.65Å; F106-Y200 AromaticContact CE1-CG 3.71Å; F106-Y200 HydrophobicContact CE1-CG 3.71Å; F106-Y200 AromaticContact CE1-CZ 3.69Å
107N64.1Low62.1Low46 Ų4664 Ų6425%0.24633%0.333CS..THydrogen-bonded Turntrans42.747.3-178-152.319.5000113.4S103 S109 T202S103-N107 WeakPolarHBondContact O-CA 3.45Å; S103-N107 PolarHBondContact O-N 3.16Å; N107-S109 PolarHBondContact O-N 3.48Å; N107-S109 VanDerWaalsContact O-N 3.11Å; N107-T202 PolarHBondContact ND2-OG1 3.09Å
108N56.7Low59.2Low107 Ų10770 Ų7057%0.57236%0.358SS*.THydrogen-bonded Turntrans63.60.2-175.2-60.7-38.3000118S103 F106 I110S103-N108 WeakPolarHBondContact CB-OD1 3.36Å; S103-N108 PolarHBondContact O-N 3.14Å; S103-N108 VanDerWaalsContact O-N 3.13Å; F106-N108 PolarHBondContact O-N 3.03Å; F106-N108 VanDerWaalsContact O-N 3.09Å; N108-I110 PolarHBondContact O-N 3.01Å
109S52.1Low56.4Low78 Ų7876 Ų7655%0.54540%0.398SS..THydrogen-bonded Turntrans-73.4-23.3-173.8-540000114.4F106 N107F106-S109 VanDerWaalsContact O-CB 3.31Å; F106-S109 WeakPolarHBondContact O-CB 3.43Å; F106-S109 PolarHBondContact O-N 3.23Å; F106-S109 PolarHBondContact O-OG 3.34Å; N107-S109 PolarHBondContact O-N 3.48Å; N107-S109 VanDerWaalsContact O-N 3.11Å
110I49.1Very low53.9Low42 Ų4279.1 Ų79.122%0.21542%0.418CS..THydrogen-bonded Turntrans-107.43.3-170.7-62.2-170.1000114F106 N108 A112 L113 Y200F106-I110 HydrophobicContact CB-CB 3.88Å; F106-I110 HydrophobicContact CB-CD1 4.14Å; F106-I110 HydrophobicContact CB-CG1 3.93Å; F106-I110 HydrophobicContact CD1-CB 4.49Å; F106-I110 HydrophobicContact CD1-CD1 3.35Å; F106-I110 HydrophobicContact CD1-CG1 4.11Å; F106-I110 HydrophobicContact CD2-CB 4.01Å; F106-I110 HydrophobicContact CD2-CD1 4.25Å; F106-I110 HydrophobicContact CD2-CG2 4.25Å; F106-I110 HydrophobicContact CE1-CD1 3.64Å; F106-I110 HydrophobicContact CE2-CD1 4.48Å; F106-I110 HydrophobicContact CE2-CG2 4.45Å; F106-I110 HydrophobicContact CG-CB 3.89Å; F106-I110 HydrophobicContact CG-CD1 3.67Å; F106-I110 HydrophobicContact CG-CG1 3.95Å; F106-I110 HydrophobicContact CZ-CD1 4.18Å; N108-I110 PolarHBondContact O-N 3.01Å; I110-A112 PolarHBondContact O-N 3.24Å; I110-L113 HydrophobicContact CG2-CB 4.13Å; I110-L113 PolarHBondContact O-N 2.84Å; I110-Y200 HydrophobicContact CD1-CD1 3.64Å; I110-Y200 HydrophobicContact CD1-CE1 3.47Å; I110-Y200 VanDerWaalsContact CD1-CE1 3.47Å
111F45.4Very low51.2Low117 Ų11783.7 Ų83.751%0.51344%0.44SS..THydrogen-bonded Turntrans-55.3-16.1178.6-105.1-83.1000114.7N99 S103N99-F111 HydrophobicContact CB-CE1 4.29Å; N99-F111 HydrophobicContact CB-CZ 4.09Å; S103-F111 VanDerWaalsContact CB-CE2 3.48Å
112A40.2Very low48.6Very low79 Ų7989 Ų8965%0.65347%0.474SS*.THydrogen-bonded Turntrans-78.2-15177.600000115.7I110I110-A112 PolarHBondContact O-N 3.24Å
113L40.9Very low46.1Very low139 Ų13996.3 Ų96.373%0.72851%0.508SS*.THydrogen-bonded Turntrans-99.6-28-169.8-105.9149.9000115.3I110 K115I110-L113 HydrophobicContact CG2-CB 4.13Å; I110-L113 PolarHBondContact O-N 2.84Å; L113-K115 PolarHBondContact O-N 3.4Å
114I45.7Very low43.6Very low47 Ų47101 Ų10124%0.24154%0.536CS..SBendtrans-78.966.6168.4-52.5179.3000107.8L64 L102 A116L64-I114 HydrophobicContact CB-CG2 4.04Å; L102-I114 HydrophobicContact CD1-CD1 3.43Å; L102-I114 VanDerWaalsContact CD1-CD1 3.43Å; I114-A116 PolarHBondContact O-N 3.37Å
115K40.8Very low41.2Very low159 Ų159108.1 Ų108.169%0.69156%0.563SS**  trans-65.6121.7175.3-88.6-178.8176.6175.10109L113 K117L113-K115 PolarHBondContact O-N 3.4Å; K115-K117 PolarHBondContact O-N 2.83Å
116A37.7Very low38.9Very low53 Ų53118 Ų11844%0.43860%0.6SS.*  trans-56124.2156.100000108.2N65 I114 K118N65-A116 WeakPolarHBondContact OD1-CA 3.47Å; I114-A116 PolarHBondContact O-N 3.37Å; A116-K118 PolarHBondContact O-N 3.18Å
117K31.8Very low36.8Very low169 Ų169121.9 Ų121.974%0.73563%0.628SS**SBendtrans-73.110.7-172-110.9179.4-177.9173.60114.2N65 K115N65-K117 PolarHBondContact OD1-N 3.44Å; K115-K117 PolarHBondContact O-N 2.83Å
118K25.3Very low35.1Very low156 Ų156123 Ų12368%0.67864%0.643SS**SBendtrans-142.7141173.5-74.6-171.6176.5-178.20111.9A116 V120A116-K118 PolarHBondContact O-N 3.18Å; K118-V120 PolarHBondContact O-N 3.31Å
119P24.8Very low34Very low129 Ų129122.7 Ų122.784%0.83864%0.641SS**PPolyproline II helixtrans-64.6117.8166.328.2-30.3000107.9
120V31.7Very low32.9Very low112 Ų112124.2 Ų124.268%0.67965%0.652SS**PPolyproline II helixtrans-77.4129.5165.7178.40000106.5K118K118-V120 PolarHBondContact O-N 3.31Å
121E24.6Very low31.7Very low163 Ų163127.8 Ų127.876%0.76268%0.679SS**PPolyproline II helixtrans-52.3154.2-179.1-73.2179.7157.700113.3H123E121-H123 PolarHBondContact O-N 2.94Å
122P25.6Very low30.8Very low113 Ų113128.6 Ų128.673%0.73469%0.688SS**SBendtrans-74.112-162-1329.7000116.1
123H27.8Very low31Very low167 Ų167130.4 Ų130.477%0.77368%0.682SS**  trans-122.957.3-166.6-58.8-44.7000112.6E121E121-H123 PolarHBondContact O-N 2.94Å
124T26.2Very low30.4Very low116 Ų116130 Ų13071%0.71269%0.691SS**SBendtrans-154.3107.414811.80000106.9R126T124-R126 PolarHBondContact O-N 2.99Å
125R26.8Very low30.2Very low253 Ų253132.1 Ų132.196%0.95571%0.709SS**  trans-50.8102.9169.9-77.3175.8172.4163.6-3.2107.9
126R28.6Very low30.5Very low207 Ų207136 Ų13678%0.78172%0.72SS**  trans-59.8124.5159.1-78.9-178.8177.1175.9-1.5105.3T124 A128T124-R126 PolarHBondContact O-N 2.99Å; R126-A128 PolarHBondContact O-N 3.37Å
127P26.3Very low31.3Very low108 Ų108139.8 Ų139.870%0.70173%0.732SS**  trans-56.7136.8164.9-9.122.9000106L129P127-L129 VanDerWaalsContact C-N 3.27Å; P127-L129 PolarHBondContact O-N 3.09Å
128A29.9Very low32.8Very low68 Ų68133.6 Ų133.656%0.56271%0.709SS**  trans-5695.4172.100000108.6R126 S130 C131R126-A128 PolarHBondContact O-N 3.37Å; A128-S130 PolarHBondContact O-N 3.47Å; A128-C131 PolarHBondContact O-N 3.36Å
129L31.8Very low34.6Very low102 Ų102128.6 Ų128.653%0.53469%0.692SS.*G310 helixtrans-64.2-2.7172-86.6147.7000111.4P127 C131P127-L129 VanDerWaalsContact C-N 3.27Å; P127-L129 PolarHBondContact O-N 3.09Å; L129-C131 PolarHBondContact O-N 2.92Å
130S28.9Very low36.8Very low110 Ų110122.5 Ų122.577%0.76965%0.653SS**G310 helixtrans-66-15168.959.70000113.8A128A128-S130 PolarHBondContact O-N 3.47Å
131C24.5Very low38.7Very low116 Ų116117.6 Ų117.678%0.78462%0.624SS**G310 helixtrans-99.61.3-174.4-122.10000115.8A128 L129A128-C131 PolarHBondContact O-N 3.36Å; L129-C131 PolarHBondContact O-N 2.92Å
132L27.4Very low41.3Very low135 Ų135110 Ų11071%0.70759%0.59SS**SBendtrans-103-2.7-177.3-82.1163000115
133F42.8Very low44.3Very low117 Ų117104.6 Ų104.651%0.51356%0.555SS.*  trans-125.862.5-171.9-56-70.6000111.4F100 S135F100-F133 AromaticContact CD2-CD1 3.92Å; F100-F133 HydrophobicContact CD2-CD1 3.92Å; F100-F133 AromaticContact CD2-CE1 3.58Å; F100-F133 HydrophobicContact CD2-CE1 3.58Å; F100-F133 HydrophobicContact CD2-CZ 4.05Å; F100-F133 AromaticContact CE2-CD1 3.65Å; F100-F133 HydrophobicContact CE2-CD1 3.65Å; F100-F133 AromaticContact CE2-CE1 3.66Å; F100-F133 HydrophobicContact CE2-CE1 3.66Å; F133-S135 VanDerWaalsContact C-N 3.32Å; F133-S135 PolarHBondContact O-N 3.17Å
134S29.4Very low47.2Very low131 Ų13197 Ų9792%0.91652%0.521SS*.  trans-91.471.1161-167.30000108.5
135S41.3Very low50Low91 Ų9193.1 Ų93.164%0.63650%0.495SS*.  trans-99.9133.515952.80000107F133 L137F133-S135 VanDerWaalsContact C-N 3.32Å; F133-S135 PolarHBondContact O-N 3.17Å; S135-L137 PolarHBondContact O-N 2.83Å
136R47.1Very low52.9Low241 Ų24181.2 Ų81.291%0.90945%0.45SS*.  trans-37.5132.7172.5-76.9174.8171.8174.1-4.3109.9
137L54.8Low55.9Low132 Ų13271.4 Ų71.469%0.69141%0.413SS*.PPolyproline II helixtrans-47.9127.2172.1-90.2143.7000108.1S135S135-L137 PolarHBondContact O-N 2.83Å
138P63.8Low58.9Low38 Ų3867.1 Ų67.125%0.24739%0.387CS..PPolyproline II helixtrans-58.8154.6179.5-15.525.5000110.3S140 G141P138-S140 PolarHBondContact O-N 3.16Å; P138-G141 PolarHBondContact O-N 3.41Å
139P63.3Low61.6Low52 Ų5263.9 Ų63.934%0.33836%0.36SS..G310 helixtrans-47.4142.9171.5-23.332.3000111G141 G142 D167P139-G141 PolarHBondContact O-N 2.82Å; P139-G142 PolarHBondContact O-N 2.89Å; P139-G142 VanDerWaalsContact O-N 3.11Å; P139-D167 HydrophobicContact CB-CB 4.27Å
140S69.8Low64.3Low1 Ų159.9 Ų59.91%0.00734%0.339CS..G310 helixtrans51.434.5175.6-55.10000114.2P138 G142 F143 V166 N201 W203P138-S140 PolarHBondContact O-N 3.16Å; S140-G142 VanDerWaalsContact C-N 3.3Å; S140-G142 PolarHBondContact O-N 3.37Å; S140-F143 PolarHBondContact O-N 3.29Å; S140-V166 PolarHBondContact OG-O 2.8Å; S140-N201 PolarHBondContact O-ND2 3.42Å; S140-W203 VanDerWaalsContact O-CB 3.24Å; S140-W203 WeakPolarHBondContact O-CB 3.49Å
141G71.4Confident67.3Low8 Ų854.7 Ų54.78%0.08230%0.303CS..G310 helixtrans6725.6175.800000114.7P138 P139 N201P138-G141 PolarHBondContact O-N 3.41Å; P139-G141 PolarHBondContact O-N 2.82Å; G141-N201 PolarHBondContact O-ND2 2.97Å
142G79.7Confident70.3Confident4 Ų451.3 Ų51.34%0.04128%0.277CS..G310 helixtrans83.613.6178.600000115P139 S140 S144 E145 T146P139-G142 PolarHBondContact O-N 2.89Å; P139-G142 VanDerWaalsContact O-N 3.11Å; S140-G142 VanDerWaalsContact C-N 3.3Å; S140-G142 PolarHBondContact O-N 3.37Å; G142-S144 VanDerWaalsContact C-N 3.33Å; G142-S144 PolarHBondContact O-N 2.71Å; G142-E145 WeakPolarHBondContact O-CB 3.32Å; G142-E145 PolarHBondContact O-N 3.32Å; G142-E145 VanDerWaalsContact O-N 3.09Å; G142-T146 PolarHBondContact O-N 2.8Å; G142-T146 VanDerWaalsContact O-N 3.14Å; G142-T146 PolarHBondContact O-OG1 3.24Å
143F88.1Confident73.2Confident0 Ų049.1 Ų49.10%026%0.26CS..Hα-helixtrans-50.6-50.2-178.6-179.4-89.2000112.8S140 E145 T146 Y147 V162 V166 F178 I194 M198 F204S140-F143 PolarHBondContact O-N 3.29Å; F143-E145 PolarHBondContact O-N 2.89Å; F143-T146 PolarHBondContact O-N 3.45Å; F143-T146 VanDerWaalsContact O-N 3.16Å; F143-Y147 HydrophobicContact CE1-CG 4.42Å; F143-Y147 WeakPolarHBondContact O-CB 3.32Å; F143-Y147 PolarHBondContact O-N 3.48Å; F143-V162 HydrophobicContact CE1-CG1 4.29Å; F143-V166 HydrophobicContact CB-CG1 3.93Å; F143-V166 HydrophobicContact CD1-CB 4.04Å; F143-V166 HydrophobicContact CD1-CG1 3.64Å; F143-V166 HydrophobicContact CD1-CG2 3.83Å; F143-V166 HydrophobicContact CE1-CG1 4.48Å; F143-V166 HydrophobicContact CE1-CG2 3.84Å; F143-V166 HydrophobicContact CG-CG1 3.98Å; F143-F178 HydrophobicContact CE1-CE2 4.29Å; F143-F178 HydrophobicContact CE2-CE2 4.04Å; F143-F178 AromaticContact CZ-CE2 3.78Å; F143-F178 HydrophobicContact CZ-CE2 3.78Å; F143-F178 HydrophobicContact CZ-CZ 4.06Å; F143-I194 HydrophobicContact CZ-CG2 4.01Å; F143-M198 HydrophobicContact CE2-CG 3.93Å; F143-F204 HydrophobicContact CB-CE2 4.12Å; F143-F204 HydrophobicContact CD2-CD2 4.02Å; F143-F204 AromaticContact CD2-CE2 3.72Å; F143-F204 HydrophobicContact CD2-CE2 3.72Å; F143-F204 HydrophobicContact CE2-CE2 4.33Å; F143-F204 AromaticContact CG-CE2 3.93Å; F143-F204 HydrophobicContact CG-CE2 3.93Å
144S88.7Confident75.2Confident7 Ų747.7 Ų47.75%0.04926%0.258CS..Hα-helixtrans-61.8-27.8-176.4-61.60000113.2G142 A148 Q163 D167G142-S144 VanDerWaalsContact C-N 3.33Å; G142-S144 PolarHBondContact O-N 2.71Å; S144-A148 WeakPolarHBondContact O-CB 3.32Å; S144-A148 PolarHBondContact O-N 3.47Å; S144-A148 VanDerWaalsContact O-N 3.12Å; S144-Q163 PolarHBondContact O-NE2 3Å; S144-D167 WeakPolarHBondContact CB-OD2 3.36Å; S144-D167 PolarHBondContact OG-OD1 2.91Å; S144-D167 PolarHBondContact OG-OD2 3.17Å
145E85.6Confident77.9Confident35 Ų3544.4 Ų44.416%0.16424%0.244CC..Hα-helixtrans-78-45.5175.9-60.4176.6-168.900111.5R104 G142 F143 Y147 A148 A149R104-E145 WeakPolarHBondContact CB-OE2 3.43Å; R104-E145 IonicContact CZ-OE1 3.34Å; R104-E145 IonicContact CZ-OE2 3.59Å; R104-E145 IonicContact NE-OE1 3Å; R104-E145 IonicContact NE-OE2 3.8Å; R104-E145 PolarHBondContact NE-OE2 2.93Å; R104-E145 IonicContact NH2-OE1 3.2Å; R104-E145 PolarHBondContact NH2-OE1 3.09Å; R104-E145 IonicContact NH2-OE2 2.65Å; R104-E145 PolarHBondContact NH2-OE2 2.97Å; R104-E145 VanDerWaalsContact NH2-OE2 3.12Å; G142-E145 WeakPolarHBondContact O-CB 3.32Å; G142-E145 PolarHBondContact O-N 3.32Å; G142-E145 VanDerWaalsContact O-N 3.09Å; F143-E145 PolarHBondContact O-N 2.89Å; E145-Y147 VanDerWaalsContact C-N 3.29Å; E145-Y147 PolarHBondContact O-N 2.97Å; E145-A148 PolarHBondContact O-N 2.64Å; E145-A149 WeakPolarHBondContact O-CB 3.46Å; E145-A149 PolarHBondContact O-N 3.23Å
146T88.1Confident80.2Confident3 Ų341.9 Ų41.92%0.01822%0.223CC..Hα-helixtrans-59.6-43174.2-53.50000110.6I105 G142 F143 A149 L150 Y200I105-T146 HydrophobicContact CG2-CG2 4.02Å; I105-T146 PolarHBondContact O-OG1 3.42Å; G142-T146 PolarHBondContact O-N 2.8Å; G142-T146 VanDerWaalsContact O-N 3.14Å; G142-T146 PolarHBondContact O-OG1 3.24Å; F143-T146 PolarHBondContact O-N 3.45Å; F143-T146 VanDerWaalsContact O-N 3.16Å; T146-A149 PolarHBondContact O-N 3.39Å; T146-L150 HydrophobicContact CG2-CD1 3.97Å; T146-L150 WeakPolarHBondContact O-CB 3.34Å; T146-L150 WeakPolarHBondContact O-CG 3.46Å; T146-L150 PolarHBondContact O-N 3.06Å; T146-Y200 HydrophobicContact CG2-CD2 4.39Å
147Y90.9Very high82.1Confident0 Ų034.9 Ų34.90%021%0.211CC..Hα-helixtrans-61-51.2176175.7-115.9000112F143 E145 A149 L150 C151 K159 V162 Q163 V193 I194 S197F143-Y147 HydrophobicContact CE1-CG 4.42Å; F143-Y147 WeakPolarHBondContact O-CB 3.32Å; F143-Y147 PolarHBondContact O-N 3.48Å; E145-Y147 VanDerWaalsContact C-N 3.29Å; E145-Y147 PolarHBondContact O-N 2.97Å; Y147-A149 VanDerWaalsContact C-N 3.29Å; Y147-A149 PolarHBondContact O-N 3.1Å; Y147-L150 PolarHBondContact O-N 3.43Å; Y147-C151 WeakPolarHBondContact CE2-SG 3.31Å; Y147-C151 WeakPolarHBondContact O-CB 3.43Å; Y147-C151 PolarHBondContact O-N 3.05Å; Y147-C151 PolarHBondContact O-SG 3.49Å; Y147-C151 VanDerWaalsContact O-SG 3.4Å; Y147-K159 PolarHBondContact OH-N 3.09Å; Y147-V162 HydrophobicContact CD1-CG1 4.21Å; Y147-V162 HydrophobicContact CE1-CB 3.88Å; Y147-V162 HydrophobicContact CE1-CG1 3.93Å; Y147-V162 HydrophobicContact CE1-CG2 4.48Å; Y147-Q163 HydrophobicContact CD1-CG 3.88Å; Y147-Q163 HydrophobicContact CE1-CG 4.28Å; Y147-V193 HydrophobicContact CD2-CG1 3.92Å; Y147-V193 HydrophobicContact CE2-CB 4.36Å; Y147-V193 HydrophobicContact CE2-CG1 3.95Å; Y147-I194 HydrophobicContact CD2-CG1 4.02Å; Y147-I194 HydrophobicContact CE2-CD1 4.48Å; Y147-I194 HydrophobicContact CE2-CG1 3.48Å; Y147-I194 VanDerWaalsContact CE2-CG1 3.48Å; Y147-S197 VanDerWaalsContact CA-OG 3.25Å; Y147-S197 WeakPolarHBondContact CA-OG 3.31Å
148A89.6Confident83.8Confident19 Ų1930.9 Ų30.916%0.15719%0.194CC..Hα-helixtrans-59.6-39.5177.900000112.6S144 E145 D152S144-A148 WeakPolarHBondContact O-CB 3.32Å; S144-A148 PolarHBondContact O-N 3.47Å; S144-A148 VanDerWaalsContact O-N 3.12Å; E145-A148 PolarHBondContact O-N 2.64Å; A148-D152 PolarHBondContact O-N 2.9Å; A148-D152 VanDerWaalsContact O-N 3.09Å
149A86.8Confident85.2Confident0 Ų032.5 Ų32.50%020%0.197CC..Hα-helixtrans-66.8-40.9177.200000112.4W39 I105 E145 T146 Y147 D152 Y153W39-A149 HydrophobicContact CD2-CB 3.76Å; W39-A149 HydrophobicContact CE3-CB 4.01Å; W39-A149 HydrophobicContact CG-CB 4.14Å; W39-A149 HydrophobicContact CH2-CB 4.45Å; W39-A149 HydrophobicContact CZ2-CB 4.24Å; W39-A149 HydrophobicContact CZ3-CB 4.35Å; I105-A149 HydrophobicContact CD1-CB 3.53Å; I105-A149 HydrophobicContact CG1-CB 3.68Å; E145-A149 WeakPolarHBondContact O-CB 3.46Å; E145-A149 PolarHBondContact O-N 3.23Å; T146-A149 PolarHBondContact O-N 3.39Å; Y147-A149 VanDerWaalsContact C-N 3.29Å; Y147-A149 PolarHBondContact O-N 3.1Å; A149-D152 PolarHBondContact O-N 3.35Å; A149-Y153 WeakPolarHBondContact O-CB 3.26Å; A149-Y153 PolarHBondContact O-N 3.33Å
150L89.1Confident86.5Confident17 Ų1737.7 Ų37.79%0.08922%0.217CC..Hα-helixtrans-73.2-34.1177.9-71.5171000112.4L59 T146 Y147 Y153 N154 V193 A196 S197L59-L150 HydrophobicContact CD1-CD2 3.67Å; L59-L150 HydrophobicContact CD1-CG 4.44Å; T146-L150 HydrophobicContact CG2-CD1 3.97Å; T146-L150 WeakPolarHBondContact O-CB 3.34Å; T146-L150 WeakPolarHBondContact O-CG 3.46Å; T146-L150 PolarHBondContact O-N 3.06Å; Y147-L150 PolarHBondContact O-N 3.43Å; L150-Y153 PolarHBondContact O-N 3.46Å; L150-N154 WeakPolarHBondContact O-CB 3.34Å; L150-N154 PolarHBondContact O-N 3.41Å; L150-N154 PolarHBondContact O-ND2 2.85Å; L150-V193 HydrophobicContact CB-CG1 3.67Å; L150-A196 HydrophobicContact CD1-CB 4.08Å; L150-S197 WeakPolarHBondContact CD1-OG 3.5Å
151C90.3Very high87.6Confident1 Ų141.5 Ų41.51%0.00723%0.234CC..Hα-helixtrans-58.2-51169.6-77.90000110.5Y147 Y153 N154 G155 I156 C158Y147-C151 WeakPolarHBondContact CE2-SG 3.31Å; Y147-C151 WeakPolarHBondContact O-CB 3.43Å; Y147-C151 PolarHBondContact O-N 3.05Å; Y147-C151 PolarHBondContact O-SG 3.49Å; Y147-C151 VanDerWaalsContact O-SG 3.4Å; C151-Y153 VanDerWaalsContact C-N 3.34Å; C151-Y153 PolarHBondContact O-N 3.29Å; C151-N154 PolarHBondContact O-N 2.81Å; C151-G155 PolarHBondContact O-N 3.21Å; C151-I156 CarbonylContact C-O 3.48Å; C151-I156 WeakPolarHBondContact CB-O 3.13Å; C151-I156 PolarHBondContact O-N 3.38Å; C151-I156 VanDerWaalsContact O-O 3.1Å; C151-C158 HydrophobicContact CB-CB 4.02Å
152D88.8Confident88.6Confident46 Ų4641.1 Ų41.125%0.24623%0.23CC..Hα-helixtrans-59.6-43.3177.1177.485.6000111.9R40 N57 A148 A149 N154 G155R40-D152 WeakPolarHBondContact CD-OD2 3.39Å; R40-D152 VanDerWaalsContact CG-OD2 3.23Å; R40-D152 WeakPolarHBondContact CG-OD2 3.28Å; R40-D152 IonicContact CZ-OD1 3.71Å; R40-D152 IonicContact CZ-OD2 2.76Å; R40-D152 VanDerWaalsContact NE-CG 3.27Å; R40-D152 IonicContact NE-OD1 3.06Å; R40-D152 PolarHBondContact NE-OD1 3.48Å; R40-D152 VanDerWaalsContact NE-OD1 3.14Å; R40-D152 IonicContact NE-OD2 2.62Å; R40-D152 PolarHBondContact NE-OD2 3.11Å; R40-D152 PolarHBondContact NH2-O 3.07Å; R40-D152 IonicContact NH2-OD2 2.79Å; N57-D152 PolarHBondContact ND2-OD2 3.01Å; A148-D152 PolarHBondContact O-N 2.9Å; A148-D152 VanDerWaalsContact O-N 3.09Å; A149-D152 PolarHBondContact O-N 3.35Å; D152-N154 PolarHBondContact O-N 3.02Å; D152-G155 PolarHBondContact O-N 2.97Å
153Y86.9Confident89.2Confident88 Ų8843.2 Ų43.235%0.34524%0.239SC..Hα-helixtrans-61.2-44.3178.3175.1-118.8000113N57 L59 E60 A149 L150 C151 G155N57-Y153 HydrophobicContact CB-CD2 3.83Å; L59-Y153 HydrophobicContact CB-CD2 4.2Å; L59-Y153 HydrophobicContact CB-CE2 4.49Å; L59-Y153 HydrophobicContact CB-CG 4.34Å; L59-Y153 HydrophobicContact CD1-CD1 4.33Å; L59-Y153 HydrophobicContact CD1-CG 4.07Å; E60-Y153 HydrophobicContact CG-CD2 4.29Å; E60-Y153 HydrophobicContact CG-CE2 3.59Å; A149-Y153 WeakPolarHBondContact O-CB 3.26Å; A149-Y153 PolarHBondContact O-N 3.33Å; L150-Y153 PolarHBondContact O-N 3.46Å; C151-Y153 VanDerWaalsContact C-N 3.34Å; C151-Y153 PolarHBondContact O-N 3.29Å; Y153-G155 VanDerWaalsContact C-N 3.26Å; Y153-G155 PolarHBondContact O-N 3.42Å
154N86.5Confident89.4Confident88 Ų8850.4 Ų50.447%0.47127%0.266SS..Hα-helixtrans-81.9-3.4-179.7-69.4-78.4000113.3L150 C151 D152 I156 V193L150-N154 WeakPolarHBondContact O-CB 3.34Å; L150-N154 PolarHBondContact O-N 3.41Å; L150-N154 PolarHBondContact O-ND2 2.85Å; C151-N154 PolarHBondContact O-N 2.81Å; D152-N154 PolarHBondContact O-N 3.02Å; N154-I156 VanDerWaalsContact C-N 3.26Å; N154-I156 HydrophobicContact CB-CD1 3.9Å; N154-I156 HydrophobicContact CB-CG1 4.2Å; N154-I156 PolarHBondContact O-N 3.44Å; N154-V193 HydrophobicContact CB-CG2 4.32Å
155G85.3Confident89.6Confident61 Ų6151.5 Ų51.563%0.62927%0.272SS*.THydrogen-bonded Turntrans68.325.7-17600000113.4C151 D152 Y153C151-G155 PolarHBondContact O-N 3.21Å; D152-G155 PolarHBondContact O-N 2.97Å; Y153-G155 VanDerWaalsContact C-N 3.26Å; Y153-G155 PolarHBondContact O-N 3.42Å
156I88.6Confident89.9Confident38 Ų3849.9 Ų49.920%0.19526%0.264CS..PPolyproline II helixtrans-97.8143178-67.3167.1000108.5C151 N154 C158 R189 D190 V193C151-I156 CarbonylContact C-O 3.48Å; C151-I156 WeakPolarHBondContact CB-O 3.13Å; C151-I156 PolarHBondContact O-N 3.38Å; C151-I156 VanDerWaalsContact O-O 3.1Å; N154-I156 VanDerWaalsContact C-N 3.26Å; N154-I156 HydrophobicContact CB-CD1 3.9Å; N154-I156 HydrophobicContact CB-CG1 4.2Å; N154-I156 PolarHBondContact O-N 3.44Å; I156-C158 PolarHBondContact O-N 3.13Å; I156-R189 HydrophobicContact CD1-CB 4.12Å; I156-D190 WeakPolarHBondContact CG2-OD1 3.15Å; I156-V193 HydrophobicContact CD1-CG2 3.5Å
157S88.4Confident90Very high94 Ų9452.4 Ų52.466%0.65728%0.277SS*.PPolyproline II helixtrans-72.7122.8178-62.60000110K159S157-K159 PolarHBondContact O-N 3.05Å
158C90.1Very high89.9Confident48 Ų4855.2 Ų55.232%0.32430%0.295SS..PPolyproline II helixtrans-62.3123.7175.7-170.80000109.8C151 I156 Q163C151-C158 HydrophobicContact CB-CB 4.02Å; I156-C158 PolarHBondContact O-N 3.13Å; C158-Q163 PolarHBondContact SG-OE1 3.41Å
159K92.8Very high90Very high73 Ų7357 Ų5732%0.31730%0.301SS..  trans-88.3116179.8-58.4-68.8-176.6164.80109.4Y147 S157 E161 V162Y147-K159 PolarHBondContact OH-N 3.09Å; S157-K159 PolarHBondContact O-N 3.05Å; K159-E161 HydrophobicContact CB-CG 4.1Å; K159-E161 PolarHBondContact O-N 2.9Å; K159-V162 HydrophobicContact CB-CB 4.44Å; K159-V162 HydrophobicContact CB-CG2 3.87Å; K159-V162 PolarHBondContact O-N 3.14Å
160E90.6Very high90.2Very high161 Ų16157.5 Ų57.575%0.75230%0.303SS*.Hα-helixtrans-62.8-30.3179.1-66.2-176.1176.400112V162 Q163 W164E160-V162 VanDerWaalsContact C-N 3.32Å; E160-V162 PolarHBondContact O-N 2.81Å; E160-Q163 PolarHBondContact O-N 3.3Å; E160-W164 WeakPolarHBondContact O-CB 3.42Å; E160-W164 PolarHBondContact O-N 3.28Å
161E92.6Very high90.3Very high80 Ų8060.7 Ų60.737%0.37432%0.317SS..Hα-helixtrans-58.5-41.617672.2-163.9136.900112K159 W164 D165 H185 L186K159-E161 HydrophobicContact CB-CG 4.1Å; K159-E161 PolarHBondContact O-N 2.9Å; E161-W164 PolarHBondContact O-N 2.88Å; E161-D165 WeakPolarHBondContact O-CB 3.44Å; E161-D165 PolarHBondContact O-N 2.73Å; E161-H185 IonicContact OE2-CD2 2.73Å; E161-H185 IonicContact OE2-NE2 3.14Å; E161-H185 PolarHBondContact OE2-NE2 3.09Å; E161-H185 VanDerWaalsContact OE2-NE2 3.16Å; E161-L186 WeakPolarHBondContact OE1-CD2 3.48Å
162V93.4Very high90.3Very high0 Ų065.1 Ų65.10%035%0.348CS..Hα-helixtrans-66.7-43.9179.9177.40000110.7F143 Y147 K159 E160 W164 V166 F183 L186 I194F143-V162 HydrophobicContact CE1-CG1 4.29Å; Y147-V162 HydrophobicContact CD1-CG1 4.21Å; Y147-V162 HydrophobicContact CE1-CB 3.88Å; Y147-V162 HydrophobicContact CE1-CG1 3.93Å; Y147-V162 HydrophobicContact CE1-CG2 4.48Å; K159-V162 HydrophobicContact CB-CB 4.44Å; K159-V162 HydrophobicContact CB-CG2 3.87Å; K159-V162 PolarHBondContact O-N 3.14Å; E160-V162 VanDerWaalsContact C-N 3.32Å; E160-V162 PolarHBondContact O-N 2.81Å; V162-W164 VanDerWaalsContact C-N 3.35Å; V162-V166 WeakPolarHBondContact O-CB 3.24Å; V162-V166 WeakPolarHBondContact O-CG2 3.33Å; V162-V166 PolarHBondContact O-N 3.21Å; V162-V166 VanDerWaalsContact O-N 3.07Å; V162-F183 HydrophobicContact CB-CE1 4.27Å; V162-F183 HydrophobicContact CG1-CE1 4.19Å; V162-F183 HydrophobicContact CG1-CZ 4.38Å; V162-F183 HydrophobicContact CG2-CD1 4Å; V162-F183 HydrophobicContact CG2-CE1 4.04Å; V162-L186 HydrophobicContact CG2-CD1 3.71Å; V162-I194 HydrophobicContact CG1-CD1 3.99Å; V162-I194 HydrophobicContact CG1-CG1 4.07Å; V162-I194 HydrophobicContact CG2-CD1 3.81Å
163Q91.9Very high90.5Very high49 Ų4969.3 Ų69.323%0.22937%0.366CS..Hα-helixtrans-65.7-41.7177.6-64.3-177.2-65.900110.8S144 Y147 C158 E160 V166 D167S144-Q163 PolarHBondContact O-NE2 3Å; Y147-Q163 HydrophobicContact CD1-CG 3.88Å; Y147-Q163 HydrophobicContact CE1-CG 4.28Å; C158-Q163 PolarHBondContact SG-OE1 3.41Å; E160-Q163 PolarHBondContact O-N 3.3Å; Q163-V166 PolarHBondContact O-N 3.34Å; Q163-D167 VanDerWaalsContact O-CB 3.27Å; Q163-D167 WeakPolarHBondContact O-CB 3.33Å; Q163-D167 PolarHBondContact O-N 3.42Å
164W92.4Very high90.6Very high150 Ų15069.6 Ų69.657%0.56837%0.374SS*.Hα-helixtrans-64.5-44.8178.6-175.285.2000111.9E160 E161 V162 V166 T168 I169E160-W164 WeakPolarHBondContact O-CB 3.42Å; E160-W164 PolarHBondContact O-N 3.28Å; E161-W164 PolarHBondContact O-N 2.88Å; V162-W164 VanDerWaalsContact C-N 3.35Å; W164-V166 PolarHBondContact O-N 3.29Å; W164-T168 HydrophobicContact CZ2-CG2 4.08Å; W164-T168 WeakPolarHBondContact O-CA 3.32Å; W164-T168 WeakPolarHBondContact O-CB 3.13Å; W164-T168 PolarHBondContact O-N 3.32Å; W164-T168 PolarHBondContact O-OG1 3.31Å; W164-I169 HydrophobicContact CH2-CD1 4.42Å; W164-I169 HydrophobicContact CH2-CG1 4.38Å; W164-I169 HydrophobicContact CZ3-CD1 3.8Å; W164-I169 HydrophobicContact CZ3-CG1 4.05Å
165D93.1Very high91Very high31 Ų3166.8 Ų66.817%0.16636%0.361CS..Iπ-helixtrans-60.3-46.3176.6-79.5-5.6000111.1E161 I169 Y170 F183E161-D165 WeakPolarHBondContact O-CB 3.44Å; E161-D165 PolarHBondContact O-N 2.73Å; D165-I169 WeakPolarHBondContact O-CA 3.25Å; D165-I169 WeakPolarHBondContact O-CB 3.47Å; D165-I169 PolarHBondContact O-N 3.17Å; D165-I169 WeakPolarHBondContact OD1-CD1 3.29Å; D165-Y170 PolarHBondContact O-N 3.38Å; D165-F183 HydrophobicContact CB-CE1 4.11Å; D165-F183 HydrophobicContact CB-CZ 4.14Å
166V91.7Very high91.4Very high0 Ų068 Ų680%035%0.347CS..Iπ-helixtrans-70.6-41.5-178173.90000112.7S140 F143 V162 Q163 W164 Y170 H171 F178 F183 F204S140-V166 PolarHBondContact OG-O 2.8Å; F143-V166 HydrophobicContact CB-CG1 3.93Å; F143-V166 HydrophobicContact CD1-CB 4.04Å; F143-V166 HydrophobicContact CD1-CG1 3.64Å; F143-V166 HydrophobicContact CD1-CG2 3.83Å; F143-V166 HydrophobicContact CE1-CG1 4.48Å; F143-V166 HydrophobicContact CE1-CG2 3.84Å; F143-V166 HydrophobicContact CG-CG1 3.98Å; V162-V166 WeakPolarHBondContact O-CB 3.24Å; V162-V166 WeakPolarHBondContact O-CG2 3.33Å; V162-V166 PolarHBondContact O-N 3.21Å; V162-V166 VanDerWaalsContact O-N 3.07Å; Q163-V166 PolarHBondContact O-N 3.34Å; W164-V166 PolarHBondContact O-N 3.29Å; V166-Y170 WeakPolarHBondContact O-CB 3.35Å; V166-H171 PolarHBondContact O-N 2.95Å; V166-F178 HydrophobicContact CG2-CE2 4.07Å; V166-F183 HydrophobicContact CG2-CZ 4.44Å; V166-F204 HydrophobicContact CG1-CE2 4.21Å; V166-F204 HydrophobicContact CG1-CZ 4.03Å
167D89.8Confident91.8Very high56 Ų5669.5 Ų69.530%0.29935%0.353SS..Iπ-helixtrans-80.5-22.7-177.4-68.5-12.2000112.5P139 S144 Q163 H171P139-D167 HydrophobicContact CB-CB 4.27Å; S144-D167 WeakPolarHBondContact CB-OD2 3.36Å; S144-D167 PolarHBondContact OG-OD1 2.91Å; S144-D167 PolarHBondContact OG-OD2 3.17Å; Q163-D167 VanDerWaalsContact O-CB 3.27Å; Q163-D167 WeakPolarHBondContact O-CB 3.33Å; Q163-D167 PolarHBondContact O-N 3.42Å; D167-H171 VanDerWaalsContact O-CB 3.29Å; D167-H171 WeakPolarHBondContact O-CB 3.5Å
168T88.7Confident92.1Very high59 Ų5965 Ų6536%0.36232%0.322SS..Iπ-helixtrans-106.6-65.1-176.9-45.50000111.6W164 S172W164-T168 HydrophobicContact CZ2-CG2 4.08Å; W164-T168 WeakPolarHBondContact O-CA 3.32Å; W164-T168 WeakPolarHBondContact O-CB 3.13Å; W164-T168 PolarHBondContact O-N 3.32Å; W164-T168 PolarHBondContact O-OG1 3.31Å; T168-S172 WeakPolarHBondContact O-CB 3.35Å; T168-S172 PolarHBondContact O-N 2.96Å; T168-S172 PolarHBondContact O-OG 3.1Å
169I91.3Very high92.4Very high57 Ų5764.2 Ų64.229%0.29231%0.314SS..Iπ-helixtrans-69.3-59.2-172.7-58.5179.6000109.6W164 D165 H171 S172 Q173W164-I169 HydrophobicContact CH2-CD1 4.42Å; W164-I169 HydrophobicContact CH2-CG1 4.38Å; W164-I169 HydrophobicContact CZ3-CD1 3.8Å; W164-I169 HydrophobicContact CZ3-CG1 4.05Å; D165-I169 WeakPolarHBondContact O-CA 3.25Å; D165-I169 WeakPolarHBondContact O-CB 3.47Å; D165-I169 PolarHBondContact O-N 3.17Å; D165-I169 WeakPolarHBondContact OD1-CD1 3.29Å; I169-H171 VanDerWaalsContact C-N 3.35Å; I169-H171 PolarHBondContact O-N 3.05Å; I169-S172 PolarHBondContact O-N 3.32Å; I169-S172 PolarHBondContact O-OG 3.03Å; I169-Q173 WeakPolarHBondContact O-CG 3.46Å; I169-Q173 PolarHBondContact O-N 3.06Å
170Y92.6Very high92.6Very high10 Ų1060.8 Ų60.84%0.03930%0.299CS..Iπ-helixtrans-60.8-43.6-176.5-84.8-100.8000112.5D165 V166 Q173 D174 S175 E177 F178 N179 D182 F183 F204D165-Y170 PolarHBondContact O-N 3.38Å; V166-Y170 WeakPolarHBondContact O-CB 3.35Å; Y170-Q173 PolarHBondContact O-N 3.3Å; Y170-D174 PolarHBondContact O-N 3.16Å; Y170-S175 PolarHBondContact O-N 2.79Å; Y170-E177 VanDerWaalsContact CE1-O 3.24Å; Y170-E177 WeakPolarHBondContact CE1-O 3.34Å; Y170-F178 HydrophobicContact CE1-CD2 4.46Å; Y170-N179 PolarHBondContact OH-N 2.97Å; Y170-N179 VanDerWaalsContact OH-N 3.1Å; Y170-D182 PolarHBondContact OH-OD2 3.49Å; Y170-F183 HydrophobicContact CE2-CZ 4.48Å; Y170-F204 AromaticContact CD1-CE1 3.53Å; Y170-F204 HydrophobicContact CD1-CE1 3.53Å; Y170-F204 AromaticContact CD1-CZ 3.95Å; Y170-F204 HydrophobicContact CD1-CZ 3.95Å; Y170-F204 AromaticContact CE1-CE1 3.88Å; Y170-F204 HydrophobicContact CE1-CE1 3.88Å; Y170-F204 HydrophobicContact CE1-CZ 4.39Å; Y170-F204 HydrophobicContact CG-CE1 4.41Å; Y170-F204 HydrophobicContact CG-CZ 4.45Å
171H90.2Very high92.8Very high84 Ų8455.9 Ų55.939%0.38928%0.278SS..Hα-helixtrans-65.3-41.7177.8-168.961.8000112.2V166 D167 I169 Q173 D174V166-H171 PolarHBondContact O-N 2.95Å; D167-H171 VanDerWaalsContact O-CB 3.29Å; D167-H171 WeakPolarHBondContact O-CB 3.5Å; I169-H171 VanDerWaalsContact C-N 3.35Å; I169-H171 PolarHBondContact O-N 3.05Å; H171-Q173 VanDerWaalsContact C-N 3.28Å; H171-Q173 PolarHBondContact O-N 3.16Å; H171-D174 PolarHBondContact O-N 3.08Å
172S90.6Very high92.9Very high94 Ų9455.4 Ų55.466%0.65728%0.278SS*.Hα-helixtrans-66.4-29.6178.871.60000113.5T168 I169T168-S172 WeakPolarHBondContact O-CB 3.35Å; T168-S172 PolarHBondContact O-N 2.96Å; T168-S172 PolarHBondContact O-OG 3.1Å; I169-S172 PolarHBondContact O-N 3.32Å; I169-S172 PolarHBondContact O-OG 3.03Å
173Q92.4Very high93Very high134 Ų13455.4 Ų55.463%0.62628%0.278SS*.THydrogen-bonded Turntrans-87.7-4.3178.4-66.6178.86.700113.2I169 Y170 H171 S175I169-Q173 WeakPolarHBondContact O-CG 3.46Å; I169-Q173 PolarHBondContact O-N 3.06Å; Y170-Q173 PolarHBondContact O-N 3.3Å; H171-Q173 VanDerWaalsContact C-N 3.28Å; H171-Q173 PolarHBondContact O-N 3.16Å; Q173-S175 PolarHBondContact O-N 3.15Å; Q173-S175 VanDerWaalsContact O-N 3.16Å
174D90.7Very high93Very high94 Ų9456.1 Ų56.150%0.50329%0.289SS..THydrogen-bonded Turntrans48.634.3-167.6-166.328000112.4Y170 H171 R176 W203Y170-D174 PolarHBondContact O-N 3.16Å; H171-D174 PolarHBondContact O-N 3.08Å; D174-R176 PolarHBondContact O-N 2.79Å; D174-R176 IonicContact OD1-CZ 3.65Å; D174-R176 IonicContact OD1-NE 3.06Å; D174-R176 PolarHBondContact OD1-NE 3.18Å; D174-R176 IonicContact OD1-NH2 3.21Å; D174-R176 PolarHBondContact OD1-NH2 3.41Å; D174-W203 VanDerWaalsContact OD1-CH2 3.28Å; D174-W203 WeakPolarHBondContact OD1-CH2 3.24Å; D174-W203 WeakPolarHBondContact OD1-CZ2 3.3Å
175S93.1Very high92.9Very high29 Ų2954.5 Ų54.520%0.20329%0.287CS..  trans-73.1128-177.6-177.40000110.3Y170 Q173 E177 W203Y170-S175 PolarHBondContact O-N 2.79Å; Q173-S175 PolarHBondContact O-N 3.15Å; Q173-S175 VanDerWaalsContact O-N 3.16Å; S175-E177 PolarHBondContact OG-N 3.24Å; S175-E177 PolarHBondContact OG-O 3.34Å; S175-W203 PolarHBondContact O-NE1 3.2Å
176R94.9Very high92.9Very high86 Ų8654 Ų5433%0.32528%0.284SS..  trans-102.3-2.8176-53.1-62.3173.6154.4-2.6112.6D174 W203 F204 T205 K206D174-R176 PolarHBondContact O-N 2.79Å; D174-R176 IonicContact OD1-CZ 3.65Å; D174-R176 IonicContact OD1-NE 3.06Å; D174-R176 PolarHBondContact OD1-NE 3.18Å; D174-R176 IonicContact OD1-NH2 3.21Å; D174-R176 PolarHBondContact OD1-NH2 3.41Å; R176-W203 WeakPolarHBondContact CD-O 3.27Å; R176-W203 VanDerWaalsContact CZ-CE2 3.42Å; R176-W203 VanDerWaalsContact CZ-CH2 3.45Å; R176-W203 PolarHBondContact NH1-O 2.99Å; R176-W203 VanDerWaalsContact NH2-CZ2 3.34Å; R176-F204 WeakPolarHBondContact O-CA 3.44Å; R176-T205 PolarHBondContact O-N 3.27Å; R176-K206 PolarHBondContact O-N 3.32Å
177E96.3Very high92.9Very high71 Ų7160.7 Ų60.733%0.33232%0.316SS..EExtended strand (participates in β ladder)trans-103112.5179.9179.3174.7109.200110Y170 S175 N179 K206Y170-E177 VanDerWaalsContact CE1-O 3.24Å; Y170-E177 WeakPolarHBondContact CE1-O 3.34Å; S175-E177 PolarHBondContact OG-N 3.24Å; S175-E177 PolarHBondContact OG-O 3.34Å; E177-N179 PolarHBondContact O-N 3.31Å; E177-K206 HydrophobicContact CB-CB 3.99Å; E177-K206 HydrophobicContact CB-CD 4.25Å; E177-K206 HydrophobicContact CB-CG 4.44Å; E177-K206 HydrophobicContact CG-CB 4.03Å
178F96Very high93Very high0 Ų060.2 Ų60.20%032%0.316CS..EExtended strand (participates in β ladder)trans-82.2110.9173.4-162.2-85.3000110F143 V166 Y170 L180 F183 I194 M198 F204 K206 L207 Y208F143-F178 HydrophobicContact CE1-CE2 4.29Å; F143-F178 HydrophobicContact CE2-CE2 4.04Å; F143-F178 AromaticContact CZ-CE2 3.78Å; F143-F178 HydrophobicContact CZ-CE2 3.78Å; F143-F178 HydrophobicContact CZ-CZ 4.06Å; V166-F178 HydrophobicContact CG2-CE2 4.07Å; Y170-F178 HydrophobicContact CE1-CD2 4.46Å; F178-L180 HydrophobicContact CD1-CD2 4.09Å; F178-L180 HydrophobicContact CE1-CD2 3.95Å; F178-F183 AromaticContact CE1-CD2 3.92Å; F178-F183 HydrophobicContact CE1-CD2 3.92Å; F178-F183 AromaticContact CE1-CE2 3.85Å; F178-F183 HydrophobicContact CE1-CE2 3.85Å; F178-F183 HydrophobicContact CE2-CE2 4.05Å; F178-F183 AromaticContact CZ-CD2 3.8Å; F178-F183 HydrophobicContact CZ-CD2 3.8Å; F178-F183 AromaticContact CZ-CE2 3.33Å; F178-F183 HydrophobicContact CZ-CE2 3.33Å; F178-F183 HydrophobicContact CZ-CZ 4.26Å; F178-I194 HydrophobicContact CE1-CG2 3.38Å; F178-I194 HydrophobicContact CE2-CG2 4.26Å; F178-I194 HydrophobicContact CZ-CG2 3.16Å; F178-M198 HydrophobicContact CB-CE 3.36Å; F178-M198 HydrophobicContact CB-SD 3.69Å; F178-M198 HydrophobicContact CD1-CE 4.49Å; F178-M198 HydrophobicContact CD1-SD 3.65Å; F178-M198 HydrophobicContact CD2-SD 4.26Å; F178-M198 HydrophobicContact CE1-SD 4.42Å; F178-M198 HydrophobicContact CG-CE 3.95Å; F178-M198 HydrophobicContact CG-CG 4.47Å; F178-M198 HydrophobicContact CG-SD 3.57Å; F178-M198 VanDerWaalsContact CG-SD 3.57Å; F178-F204 HydrophobicContact CB-CD1 3.92Å; F178-F204 HydrophobicContact CB-CE1 4.3Å; F178-F204 HydrophobicContact CB-CG 4.15Å; F178-F204 HydrophobicContact CD2-CD1 4.11Å; F178-F204 AromaticContact CD2-CD2 4Å; F178-F204 HydrophobicContact CD2-CD2 4Å; F178-F204 AromaticContact CD2-CE1 3.82Å; F178-F204 HydrophobicContact CD2-CE1 3.82Å; F178-F204 AromaticContact CD2-CE2 3.69Å; F178-F204 HydrophobicContact CD2-CE2 3.69Å; F178-F204 HydrophobicContact CD2-CG 4.21Å; F178-F204 AromaticContact CD2-CZ 3.61Å; F178-F204 HydrophobicContact CD2-CZ 3.61Å; F178-F204 HydrophobicContact CE2-CE2 4.19Å; F178-F204 HydrophobicContact CE2-CZ 4.18Å; F178-K206 PolarHBondContact N-O 3.4Å; F178-L207 HydrophobicContact CD1-CD1 4.43Å; F178-Y208 PolarHBondContact O-N 2.8Å
179N96.4Very high93.2Very high30 Ų3064.8 Ų64.816%0.1633%0.327CS..EExtended strand (participates in β ladder)trans-98.1114.2-177.5-177.84.8000111Y170 E177 L181 D182 Y208Y170-N179 PolarHBondContact OH-N 2.97Å; Y170-N179 VanDerWaalsContact OH-N 3.1Å; E177-N179 PolarHBondContact O-N 3.31Å; N179-L181 PolarHBondContact O-N 3.3Å; N179-L181 VanDerWaalsContact OD1-CB 3.26Å; N179-L181 WeakPolarHBondContact OD1-CB 3.43Å; N179-L181 WeakPolarHBondContact OD1-CG 3.34Å; N179-L181 PolarHBondContact OD1-N 2.99Å; N179-D182 PolarHBondContact ND2-OD1 3.42Å; N179-D182 PolarHBondContact O-N 2.85Å; N179-Y208 HydrophobicContact CB-CD1 4.44Å; N179-Y208 WeakPolarHBondContact OD1-CD1 3.37Å
180L95.4Very high93.3Very high1 Ų162.7 Ų62.71%0.00532%0.316CS..G310 helixtrans-65.5-18.9178.8-67.7-174.6000113.6F178 D182 F183 S184 V195 L207 Y208 C209 L212 I214F178-L180 HydrophobicContact CD1-CD2 4.09Å; F178-L180 HydrophobicContact CE1-CD2 3.95Å; L180-D182 VanDerWaalsContact C-N 3.29Å; L180-D182 PolarHBondContact O-N 2.94Å; L180-F183 PolarHBondContact O-N 3.28Å; L180-S184 PolarHBondContact O-N 3.22Å; L180-V195 HydrophobicContact CD1-CG2 4.29Å; L180-V195 HydrophobicContact CD2-CG2 3.66Å; L180-L207 HydrophobicContact CD1-CD1 4.25Å; L180-L207 HydrophobicContact CD2-CD1 4.22Å; L180-L207 HydrophobicContact CG-CD1 3.99Å; L180-Y208 PolarHBondContact N-O 2.84Å; L180-C209 HydrophobicContact CB-CB 4.2Å; L180-C209 HydrophobicContact CD1-CB 3.95Å; L180-C209 HydrophobicContact CG-CB 4.34Å; L180-L212 HydrophobicContact CB-CD2 4.32Å; L180-I214 HydrophobicContact CD1-CG2 4.32Å
181L94.8Very high93.4Very high59 Ų5962.9 Ų62.931%0.30932%0.318SS..G310 helixtrans-68.5-29.6178.4-65.8169.6000112.7N179 F183 S184 Y208 R210 L212N179-L181 PolarHBondContact O-N 3.3Å; N179-L181 VanDerWaalsContact OD1-CB 3.26Å; N179-L181 WeakPolarHBondContact OD1-CB 3.43Å; N179-L181 WeakPolarHBondContact OD1-CG 3.34Å; N179-L181 PolarHBondContact OD1-N 2.99Å; L181-F183 PolarHBondContact O-N 3.11Å; L181-F183 VanDerWaalsContact O-N 3.17Å; L181-S184 VanDerWaalsContact O-CB 3.26Å; L181-S184 WeakPolarHBondContact O-CB 3.46Å; L181-S184 PolarHBondContact O-N 3.4Å; L181-S184 VanDerWaalsContact O-N 3.1Å; L181-S184 PolarHBondContact O-OG 3.08Å; L181-Y208 HydrophobicContact CD1-CE1 4.2Å; L181-R210 WeakPolarHBondContact CD2-O 3.32Å; L181-L212 HydrophobicContact CD2-CB 3.74Å; L181-L212 HydrophobicContact CD2-CD2 4.24Å; L181-L212 HydrophobicContact CD2-CG 4.47Å
182D94.7Very high93.6Very high69 Ų6959.3 Ų59.337%0.36930%0.303SS..G310 helixtrans-62.2-24.7178.4-60.8-10.1000111.4Y170 N179 L180Y170-D182 PolarHBondContact OH-OD2 3.49Å; N179-D182 PolarHBondContact ND2-OD1 3.42Å; N179-D182 PolarHBondContact O-N 2.85Å; L180-D182 VanDerWaalsContact C-N 3.29Å; L180-D182 PolarHBondContact O-N 2.94Å
183F95.3Very high93.7Very high0 Ų055.1 Ų55.10%027%0.273CS..G310 helixtrans-112.517-179.6-54.5-67.6000112.8V162 D165 V166 Y170 F178 L180 L181 H185 L186 L191 I194V162-F183 HydrophobicContact CB-CE1 4.27Å; V162-F183 HydrophobicContact CG1-CE1 4.19Å; V162-F183 HydrophobicContact CG1-CZ 4.38Å; V162-F183 HydrophobicContact CG2-CD1 4Å; V162-F183 HydrophobicContact CG2-CE1 4.04Å; D165-F183 HydrophobicContact CB-CE1 4.11Å; D165-F183 HydrophobicContact CB-CZ 4.14Å; V166-F183 HydrophobicContact CG2-CZ 4.44Å; Y170-F183 HydrophobicContact CE2-CZ 4.48Å; F178-F183 AromaticContact CE1-CD2 3.92Å; F178-F183 HydrophobicContact CE1-CD2 3.92Å; F178-F183 AromaticContact CE1-CE2 3.85Å; F178-F183 HydrophobicContact CE1-CE2 3.85Å; F178-F183 HydrophobicContact CE2-CE2 4.05Å; F178-F183 AromaticContact CZ-CD2 3.8Å; F178-F183 HydrophobicContact CZ-CD2 3.8Å; F178-F183 AromaticContact CZ-CE2 3.33Å; F178-F183 HydrophobicContact CZ-CE2 3.33Å; F178-F183 HydrophobicContact CZ-CZ 4.26Å; L180-F183 PolarHBondContact O-N 3.28Å; L181-F183 PolarHBondContact O-N 3.11Å; L181-F183 VanDerWaalsContact O-N 3.17Å; F183-H185 PolarHBondContact O-N 2.85Å; F183-H185 VanDerWaalsContact O-N 3.1Å; F183-L186 HydrophobicContact CB-CD1 4Å; F183-L186 HydrophobicContact CB-CG 4.33Å; F183-L186 HydrophobicContact CD1-CD1 4.24Å; F183-L186 HydrophobicContact CG-CD1 4.49Å; F183-L186 WeakPolarHBondContact O-CB 3.29Å; F183-L186 PolarHBondContact O-N 2.81Å; F183-L191 HydrophobicContact CB-CD2 3.61Å; F183-L191 WeakPolarHBondContact O-CD2 3.49Å; F183-I194 HydrophobicContact CB-CD1 4.39Å; F183-I194 HydrophobicContact CG-CD1 4.29Å
184S92.2Very high93.8Very high65 Ų6548.7 Ų48.746%0.45524%0.244SC..THydrogen-bonded Turntrans-63.5-16.8-175.157.90000114.7L180 L181 L186L180-S184 PolarHBondContact O-N 3.22Å; L181-S184 VanDerWaalsContact O-CB 3.26Å; L181-S184 WeakPolarHBondContact O-CB 3.46Å; L181-S184 PolarHBondContact O-N 3.4Å; L181-S184 VanDerWaalsContact O-N 3.1Å; L181-S184 PolarHBondContact O-OG 3.08Å; S184-L186 VanDerWaalsContact C-N 3.3Å
185H91.9Very high94Very high115 Ų11544.2 Ų44.253%0.53222%0.22SC..THydrogen-bonded Turntrans-76.3-15.6172.960.9-70.1000113.7E161 F183E161-H185 IonicContact OE2-CD2 2.73Å; E161-H185 IonicContact OE2-NE2 3.14Å; E161-H185 PolarHBondContact OE2-NE2 3.09Å; E161-H185 VanDerWaalsContact OE2-NE2 3.16Å; F183-H185 PolarHBondContact O-N 2.85Å; F183-H185 VanDerWaalsContact O-N 3.1Å
186L92.9Very high94Very high21 Ų2143.2 Ų43.211%0.1121%0.213CC..SBendtrans-81.1158.5-179.2-58-174.1000112.3E161 V162 F183 S184 D190 L191 I194E161-L186 WeakPolarHBondContact OE1-CD2 3.48Å; V162-L186 HydrophobicContact CG2-CD1 3.71Å; F183-L186 HydrophobicContact CB-CD1 4Å; F183-L186 HydrophobicContact CB-CG 4.33Å; F183-L186 HydrophobicContact CD1-CD1 4.24Å; F183-L186 HydrophobicContact CG-CD1 4.49Å; F183-L186 WeakPolarHBondContact O-CB 3.29Å; F183-L186 PolarHBondContact O-N 2.81Å; S184-L186 VanDerWaalsContact C-N 3.3Å; L186-D190 HydrophobicContact CB-CB 4.07Å; L186-D190 HydrophobicContact CD1-CB 4.32Å; L186-L191 HydrophobicContact CB-CD2 4.43Å; L186-L191 HydrophobicContact CB-CG 4.37Å; L186-I194 HydrophobicContact CD1-CD1 3.7Å
187E91.9Very high93.8Very high141 Ų14139.1 Ų39.166%0.65920%0.197SC*.  trans-71.4156.3176.1-64.1-174-176.400111.6R189 D190 L191E187-R189 PolarHBondContact O-N 3.3Å; E187-D190 PolarHBondContact O-N 3.1Å; E187-L191 PolarHBondContact O-N 3.45Å; E187-L191 VanDerWaalsContact O-N 3.08Å
188S91.8Very high93.6Very high45 Ų4536 Ų3632%0.31518%0.183SC..Hα-helixtrans-55.9-29.8-179.2-176.40000113.8A192 V218S188-A192 WeakPolarHBondContact O-CB 3.16Å; S188-A192 PolarHBondContact O-N 2.84Å; S188-V218 VanDerWaalsContact O-CG2 3.25Å; S188-V218 WeakPolarHBondContact O-CG2 3.27Å
189R92.1Very high93.2Very high155 Ų15536 Ų3659%0.58518%0.183SC*.Hα-helixtrans-72.2-41.1177.7-78.5-179.7178.4174.82.1112.4I156 E187 A192 V193 E217I156-R189 HydrophobicContact CD1-CB 4.12Å; E187-R189 PolarHBondContact O-N 3.3Å; R189-A192 PolarHBondContact O-N 3.48Å; R189-V193 PolarHBondContact O-N 2.99Å; R189-E217 WeakPolarHBondContact CG-OE2 3.1Å; R189-E217 IonicContact NE-OE1 3.86Å; R189-E217 IonicContact NE-OE2 3.7Å
190D93.3Very high92.6Very high13 Ų1336.8 Ų36.87%0.0718%0.184CC..Hα-helixtrans-63.5-47.5176.7-66.9-42.1000109.4I156 L186 E187 A192 V193 I194I156-D190 WeakPolarHBondContact CG2-OD1 3.15Å; L186-D190 HydrophobicContact CB-CB 4.07Å; L186-D190 HydrophobicContact CD1-CB 4.32Å; E187-D190 PolarHBondContact O-N 3.1Å; D190-A192 VanDerWaalsContact C-N 3.28Å; D190-A192 PolarHBondContact O-N 2.56Å; D190-V193 PolarHBondContact O-N 3.15Å; D190-I194 VanDerWaalsContact O-CG1 3.29Å; D190-I194 WeakPolarHBondContact O-CG1 3.49Å; D190-I194 PolarHBondContact O-N 3.08Å
191L94.6Very high92.1Very high14 Ų1436.9 Ų36.97%0.07319%0.185CC..Hα-helixtrans-57.7-38.4175-70178.3000113F183 L186 E187 V193 I194 V195 V218F183-L191 HydrophobicContact CB-CD2 3.61Å; F183-L191 WeakPolarHBondContact O-CD2 3.49Å; L186-L191 HydrophobicContact CB-CD2 4.43Å; L186-L191 HydrophobicContact CB-CG 4.37Å; E187-L191 PolarHBondContact O-N 3.45Å; E187-L191 VanDerWaalsContact O-N 3.08Å; L191-V193 PolarHBondContact O-N 3.01Å; L191-I194 HydrophobicContact CD2-CD1 4.37Å; L191-I194 WeakPolarHBondContact O-CB 3.45Å; L191-I194 PolarHBondContact O-N 3.41Å; L191-V195 WeakPolarHBondContact O-CG2 3.13Å; L191-V195 PolarHBondContact O-N 3.24Å; L191-V218 HydrophobicContact CB-CG2 3.83Å
192A94.6Very high91.7Very high10 Ų1036.5 Ų36.58%0.08319%0.185CC..Hα-helixtrans-62.8-43.1178.600000111.4S188 R189 D190 V195 A196 E217 V218 Q221S188-A192 WeakPolarHBondContact O-CB 3.16Å; S188-A192 PolarHBondContact O-N 2.84Å; R189-A192 PolarHBondContact O-N 3.48Å; D190-A192 VanDerWaalsContact C-N 3.28Å; D190-A192 PolarHBondContact O-N 2.56Å; A192-V195 PolarHBondContact O-N 3.47Å; A192-A196 WeakPolarHBondContact O-CB 3.36Å; A192-A196 PolarHBondContact O-N 3.47Å; A192-E217 HydrophobicContact CB-CB 4.29Å; A192-V218 HydrophobicContact CB-CG2 4.22Å; A192-Q221 HydrophobicContact CB-CG 3.9Å; A192-Q221 WeakPolarHBondContact O-CG 3.3Å
193V93.6Very high91.5Very high5 Ų535.1 Ų35.13%0.0317%0.174CC..Hα-helixtrans-67.5-37.8177.3179.70000111.7Y147 L150 N154 I156 R189 D190 L191 A196 S197Y147-V193 HydrophobicContact CD2-CG1 3.92Å; Y147-V193 HydrophobicContact CE2-CB 4.36Å; Y147-V193 HydrophobicContact CE2-CG1 3.95Å; L150-V193 HydrophobicContact CB-CG1 3.67Å; N154-V193 HydrophobicContact CB-CG2 4.32Å; I156-V193 HydrophobicContact CD1-CG2 3.5Å; R189-V193 PolarHBondContact O-N 2.99Å; D190-V193 PolarHBondContact O-N 3.15Å; L191-V193 PolarHBondContact O-N 3.01Å; V193-A196 PolarHBondContact O-N 3.29Å; V193-S197 PolarHBondContact O-N 3.28Å; V193-S197 PolarHBondContact O-OG 2.92Å
194I94.3Very high91.4Very high0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-58.9-51.8175-69172.3000110.2F143 Y147 V162 F178 F183 L186 D190 L191 A196 S197F143-I194 HydrophobicContact CZ-CG2 4.01Å; Y147-I194 HydrophobicContact CD2-CG1 4.02Å; Y147-I194 HydrophobicContact CE2-CD1 4.48Å; Y147-I194 HydrophobicContact CE2-CG1 3.48Å; Y147-I194 VanDerWaalsContact CE2-CG1 3.48Å; V162-I194 HydrophobicContact CG1-CD1 3.99Å; V162-I194 HydrophobicContact CG1-CG1 4.07Å; V162-I194 HydrophobicContact CG2-CD1 3.81Å; F178-I194 HydrophobicContact CE1-CG2 3.38Å; F178-I194 HydrophobicContact CE2-CG2 4.26Å; F178-I194 HydrophobicContact CZ-CG2 3.16Å; F183-I194 HydrophobicContact CB-CD1 4.39Å; F183-I194 HydrophobicContact CG-CD1 4.29Å; L186-I194 HydrophobicContact CD1-CD1 3.7Å; D190-I194 VanDerWaalsContact O-CG1 3.29Å; D190-I194 WeakPolarHBondContact O-CG1 3.49Å; D190-I194 PolarHBondContact O-N 3.08Å; L191-I194 HydrophobicContact CD2-CD1 4.37Å; L191-I194 WeakPolarHBondContact O-CB 3.45Å; L191-I194 PolarHBondContact O-N 3.41Å; I194-A196 PolarHBondContact O-N 2.88Å; I194-S197 VanDerWaalsContact O-CB 3.29Å; I194-S197 WeakPolarHBondContact O-CB 3.48Å; I194-S197 PolarHBondContact O-N 2.9Å; I194-S197 VanDerWaalsContact O-N 3.17Å
195V94.8Very high91.6Very high0 Ų033.3 Ų33.30%016%0.161CC..Hα-helixtrans-62.2-44.5177.2173.80000111.3L180 L191 A192 S197 M198 V218 Q221 V222 T225L180-V195 HydrophobicContact CD1-CG2 4.29Å; L180-V195 HydrophobicContact CD2-CG2 3.66Å; L191-V195 WeakPolarHBondContact O-CG2 3.13Å; L191-V195 PolarHBondContact O-N 3.24Å; A192-V195 PolarHBondContact O-N 3.47Å; V195-S197 PolarHBondContact O-N 3.2Å; V195-S197 VanDerWaalsContact O-N 3.13Å; V195-M198 VanDerWaalsContact O-CB 3.27Å; V195-M198 WeakPolarHBondContact O-CB 3.24Å; V195-M198 PolarHBondContact O-N 3.41Å; V195-V218 HydrophobicContact CG2-CG1 4.01Å; V195-Q221 HydrophobicContact CB-CB 4.2Å; V195-Q221 HydrophobicContact CG1-CB 4Å; V195-V222 HydrophobicContact CG1-CB 4.42Å; V195-V222 HydrophobicContact CG1-CG2 3.78Å; V195-T225 PolarHBondContact O-OG1 3.28Å; V195-T225 VanDerWaalsContact O-OG1 3.11Å
196A92.4Very high91.8Very high7 Ų730.7 Ų30.76%0.05815%0.147CC..Hα-helixtrans-56.8-31.1177.800000112.7L150 A192 V193 I194 M198 A199 Q221L150-A196 HydrophobicContact CD1-CB 4.08Å; A192-A196 WeakPolarHBondContact O-CB 3.36Å; A192-A196 PolarHBondContact O-N 3.47Å; V193-A196 PolarHBondContact O-N 3.29Å; I194-A196 PolarHBondContact O-N 2.88Å; A196-M198 VanDerWaalsContact C-N 3.25Å; A196-M198 PolarHBondContact O-N 3.13Å; A196-A199 VanDerWaalsContact O-CB 3.24Å; A196-A199 WeakPolarHBondContact O-CB 3.4Å; A196-A199 PolarHBondContact O-N 3.11Å; A196-Q221 HydrophobicContact CB-CB 4.35Å; A196-Q221 HydrophobicContact CB-CG 4.22Å
197S91.6Very high92.1Very high0 Ų029.7 Ų29.70%014%0.142CC..Hα-helixtrans-67.9-26.5177.6-52.70000112.4Y147 L150 V193 I194 V195 A199Y147-S197 VanDerWaalsContact CA-OG 3.25Å; Y147-S197 WeakPolarHBondContact CA-OG 3.31Å; L150-S197 WeakPolarHBondContact CD1-OG 3.5Å; V193-S197 PolarHBondContact O-N 3.28Å; V193-S197 PolarHBondContact O-OG 2.92Å; I194-S197 VanDerWaalsContact O-CB 3.29Å; I194-S197 WeakPolarHBondContact O-CB 3.48Å; I194-S197 PolarHBondContact O-N 2.9Å; I194-S197 VanDerWaalsContact O-N 3.17Å; V195-S197 PolarHBondContact O-N 3.2Å; V195-S197 VanDerWaalsContact O-N 3.13Å; S197-A199 VanDerWaalsContact C-N 3.28Å; S197-A199 PolarHBondContact O-N 3.26Å
198M90.3Very high92.3Very high5 Ų525.6 Ų25.63%0.02512%0.121CC..Hα-helixtrans-71-23.4176.1-59.5-179.465.100113F143 F178 V195 A196 Y200 N201 F204 L207 T225F143-M198 HydrophobicContact CE2-CG 3.93Å; F178-M198 HydrophobicContact CB-CE 3.36Å; F178-M198 HydrophobicContact CB-SD 3.69Å; F178-M198 HydrophobicContact CD1-CE 4.49Å; F178-M198 HydrophobicContact CD1-SD 3.65Å; F178-M198 HydrophobicContact CD2-SD 4.26Å; F178-M198 HydrophobicContact CE1-SD 4.42Å; F178-M198 HydrophobicContact CG-CE 3.95Å; F178-M198 HydrophobicContact CG-CG 4.47Å; F178-M198 HydrophobicContact CG-SD 3.57Å; F178-M198 VanDerWaalsContact CG-SD 3.57Å; V195-M198 VanDerWaalsContact O-CB 3.27Å; V195-M198 WeakPolarHBondContact O-CB 3.24Å; V195-M198 PolarHBondContact O-N 3.41Å; A196-M198 VanDerWaalsContact C-N 3.25Å; A196-M198 PolarHBondContact O-N 3.13Å; M198-Y200 PolarHBondContact O-N 3.17Å; M198-Y200 VanDerWaalsContact O-N 3.08Å; M198-N201 PolarHBondContact O-N 3.05Å; M198-N201 VanDerWaalsContact O-N 3.15Å; M198-F204 HydrophobicContact CE-CB 3.89Å; M198-F204 HydrophobicContact CE-CG 4.41Å; M198-L207 HydrophobicContact CE-CB 4.13Å; M198-L207 HydrophobicContact CE-CD1 4.16Å; M198-L207 HydrophobicContact SD-CD1 3.82Å; M198-T225 HydrophobicContact CB-CG2 3.98Å
199A87.8Confident92.6Very high1 Ų123.4 Ų23.41%0.00811%0.106CC..THydrogen-bonded Turntrans-57.3-28.4-178.500000113.1A196 S197 T225 K228 S229A196-A199 VanDerWaalsContact O-CB 3.24Å; A196-A199 WeakPolarHBondContact O-CB 3.4Å; A196-A199 PolarHBondContact O-N 3.11Å; S197-A199 VanDerWaalsContact C-N 3.28Å; S197-A199 PolarHBondContact O-N 3.26Å; A199-T225 HydrophobicContact CB-CG2 4.41Å; A199-K228 HydrophobicContact CB-CB 4.27Å; A199-K228 CarbonylContact O-C 3.6Å; A199-S229 WeakPolarHBondContact O-CA 3.48Å; A199-S229 PolarHBondContact O-N 3.18Å
200Y84Confident92.8Very high47 Ų4721 Ų2118%0.18410%0.097CC..THydrogen-bonded Turntrans-116.61.2-177.2-50.6-64.5000112.9F106 I110 T146 M198 H224 K228F106-Y200 AromaticContact CD1-CD1 3.57Å; F106-Y200 HydrophobicContact CD1-CD1 3.57Å; F106-Y200 AromaticContact CD1-CD2 3.9Å; F106-Y200 HydrophobicContact CD1-CD2 3.9Å; F106-Y200 HydrophobicContact CD1-CE1 4Å; F106-Y200 HydrophobicContact CD1-CE2 4.31Å; F106-Y200 AromaticContact CD1-CG 3.48Å; F106-Y200 HydrophobicContact CD1-CG 3.48Å; F106-Y200 VanDerWaalsContact CD1-CG 3.48Å; F106-Y200 AromaticContact CE1-CD1 3.79Å; F106-Y200 HydrophobicContact CE1-CD1 3.79Å; F106-Y200 AromaticContact CE1-CD2 3.66Å; F106-Y200 HydrophobicContact CE1-CD2 3.66Å; F106-Y200 AromaticContact CE1-CE1 3.77Å; F106-Y200 HydrophobicContact CE1-CE1 3.77Å; F106-Y200 AromaticContact CE1-CE2 3.65Å; F106-Y200 HydrophobicContact CE1-CE2 3.65Å; F106-Y200 AromaticContact CE1-CG 3.71Å; F106-Y200 HydrophobicContact CE1-CG 3.71Å; F106-Y200 AromaticContact CE1-CZ 3.69Å; I110-Y200 HydrophobicContact CD1-CD1 3.64Å; I110-Y200 HydrophobicContact CD1-CE1 3.47Å; I110-Y200 VanDerWaalsContact CD1-CE1 3.47Å; T146-Y200 HydrophobicContact CG2-CD2 4.39Å; M198-Y200 PolarHBondContact O-N 3.17Å; M198-Y200 VanDerWaalsContact O-N 3.08Å; Y200-H224 AromaticContact CZ-NE2 3.78Å; Y200-H224 PolarHBondContact OH-NE2 3.48Å; Y200-H224 VanDerWaalsContact OH-NE2 3.09Å; Y200-K228 HydrophobicContact CE1-CB 4.13Å; Y200-K228 HydrophobicContact CE1-CG 4.33Å
201N84.9Confident92.9Very high3 Ų325.2 Ų25.22%0.01612%0.12CC..  trans-80147178.7-174.2-96.2000110.3S140 G141 M198 W203 F204S140-N201 PolarHBondContact O-ND2 3.42Å; G141-N201 PolarHBondContact O-ND2 2.97Å; M198-N201 PolarHBondContact O-N 3.05Å; M198-N201 VanDerWaalsContact O-N 3.15Å; N201-W203 WeakPolarHBondContact OD1-CA 3.37Å; N201-W203 WeakPolarHBondContact OD1-CB 3.47Å; N201-W203 PolarHBondContact OD1-N 3.01Å; N201-F204 VanDerWaalsContact OD1-CD2 3.27Å; N201-F204 WeakPolarHBondContact OD1-CD2 3.48Å; N201-F204 PolarHBondContact OD1-N 3.49Å
202T86.4Confident92.9Very high50 Ų5026.3 Ų26.331%0.30713%0.125SC..SBendtrans-116.52.3-179.252.80000112.8N107 S231N107-T202 PolarHBondContact ND2-OG1 3.09Å; T202-S231 WeakPolarHBondContact CA-OG 3.27Å
203W90Very high92.9Very high40 Ų4035.9 Ų35.915%0.15216%0.159CC..SBendtrans-95.2-47.6-179178.5-88.5000112S140 D174 S175 R176 N201S140-W203 VanDerWaalsContact O-CB 3.24Å; S140-W203 WeakPolarHBondContact O-CB 3.49Å; D174-W203 VanDerWaalsContact OD1-CH2 3.28Å; D174-W203 WeakPolarHBondContact OD1-CH2 3.24Å; D174-W203 WeakPolarHBondContact OD1-CZ2 3.3Å; S175-W203 PolarHBondContact O-NE1 3.2Å; R176-W203 WeakPolarHBondContact CD-O 3.27Å; R176-W203 VanDerWaalsContact CZ-CE2 3.42Å; R176-W203 VanDerWaalsContact CZ-CH2 3.45Å; R176-W203 PolarHBondContact NH1-O 2.99Å; R176-W203 VanDerWaalsContact NH2-CZ2 3.34Å; N201-W203 WeakPolarHBondContact OD1-CA 3.37Å; N201-W203 WeakPolarHBondContact OD1-CB 3.47Å; N201-W203 PolarHBondContact OD1-N 3.01Å
204F94.1Very high92.9Very high4 Ų436.2 Ų36.22%0.01816%0.161CC..  trans-77.8123.6179.2-66.3-64.7000110.5F143 V166 Y170 R176 F178 M198 N201F143-F204 HydrophobicContact CB-CE2 4.12Å; F143-F204 HydrophobicContact CD2-CD2 4.02Å; F143-F204 AromaticContact CD2-CE2 3.72Å; F143-F204 HydrophobicContact CD2-CE2 3.72Å; F143-F204 HydrophobicContact CE2-CE2 4.33Å; F143-F204 AromaticContact CG-CE2 3.93Å; F143-F204 HydrophobicContact CG-CE2 3.93Å; V166-F204 HydrophobicContact CG1-CE2 4.21Å; V166-F204 HydrophobicContact CG1-CZ 4.03Å; Y170-F204 AromaticContact CD1-CE1 3.53Å; Y170-F204 HydrophobicContact CD1-CE1 3.53Å; Y170-F204 AromaticContact CD1-CZ 3.95Å; Y170-F204 HydrophobicContact CD1-CZ 3.95Å; Y170-F204 AromaticContact CE1-CE1 3.88Å; Y170-F204 HydrophobicContact CE1-CE1 3.88Å; Y170-F204 HydrophobicContact CE1-CZ 4.39Å; Y170-F204 HydrophobicContact CG-CE1 4.41Å; Y170-F204 HydrophobicContact CG-CZ 4.45Å; R176-F204 WeakPolarHBondContact O-CA 3.44Å; F178-F204 HydrophobicContact CB-CD1 3.92Å; F178-F204 HydrophobicContact CB-CE1 4.3Å; F178-F204 HydrophobicContact CB-CG 4.15Å; F178-F204 HydrophobicContact CD2-CD1 4.11Å; F178-F204 AromaticContact CD2-CD2 4Å; F178-F204 HydrophobicContact CD2-CD2 4Å; F178-F204 AromaticContact CD2-CE1 3.82Å; F178-F204 HydrophobicContact CD2-CE1 3.82Å; F178-F204 AromaticContact CD2-CE2 3.69Å; F178-F204 HydrophobicContact CD2-CE2 3.69Å; F178-F204 HydrophobicContact CD2-CG 4.21Å; F178-F204 AromaticContact CD2-CZ 3.61Å; F178-F204 HydrophobicContact CD2-CZ 3.61Å; F178-F204 HydrophobicContact CE2-CE2 4.19Å; F178-F204 HydrophobicContact CE2-CZ 4.18Å; M198-F204 HydrophobicContact CE-CB 3.89Å; M198-F204 HydrophobicContact CE-CG 4.41Å; N201-F204 VanDerWaalsContact OD1-CD2 3.27Å; N201-F204 WeakPolarHBondContact OD1-CD2 3.48Å; N201-F204 PolarHBondContact OD1-N 3.49Å
205T95.4Very high92.8Very high24 Ų2437.6 Ų37.615%0.14718%0.175CC..  trans-108.2-12.3176.467.20000112.1R176 S231 E233 E234R176-T205 PolarHBondContact O-N 3.27Å; T205-S231 WeakPolarHBondContact CA-O 3.26Å; T205-E233 WeakPolarHBondContact O-CA 3.41Å; T205-E233 PolarHBondContact O-N 3.2Å; T205-E234 PolarHBondContact O-N 3.49Å
206K97.7Very high92.8Very high59 Ų5941 Ų4126%0.25720%0.198SC..EExtended strand (participates in β ladder)trans-128.9140.5179-37.4-174.3174.8-1560111.9R176 E177 F178 E234R176-K206 PolarHBondContact O-N 3.32Å; E177-K206 HydrophobicContact CB-CB 3.99Å; E177-K206 HydrophobicContact CB-CD 4.25Å; E177-K206 HydrophobicContact CB-CG 4.44Å; E177-K206 HydrophobicContact CG-CB 4.03Å; F178-K206 PolarHBondContact N-O 3.4Å; K206-E234 VanDerWaalsContact CA-O 3.3Å; K206-E234 WeakPolarHBondContact CA-O 3.42Å; K206-E234 HydrophobicContact CB-CB 4.04Å; K206-E234 HydrophobicContact CD-CB 4.19Å; K206-E234 HydrophobicContact CD-CG 4.16Å; K206-E234 VanDerWaalsContact CD-OE2 3.31Å; K206-E234 WeakPolarHBondContact CD-OE2 3.35Å; K206-E234 WeakPolarHBondContact CE-OE1 3.25Å; K206-E234 VanDerWaalsContact CE-OE2 3.26Å; K206-E234 WeakPolarHBondContact CE-OE2 3.49Å; K206-E234 HydrophobicContact CG-CB 3.89Å; K206-E234 HydrophobicContact CG-CG 4.04Å; K206-E234 IonicContact NZ-OE1 2.76Å; K206-E234 PolarHBondContact NZ-OE1 3.18Å; K206-E234 IonicContact NZ-OE2 3.49Å; K206-E234 PolarHBondContact NZ-OE2 3.35Å
207L97.6Very high92.8Very high1 Ų144.7 Ų44.71%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-113.3121.6168.2174.563.3000108.6F178 L180 M198 V222 L232 E234 T236F178-L207 HydrophobicContact CD1-CD1 4.43Å; L180-L207 HydrophobicContact CD1-CD1 4.25Å; L180-L207 HydrophobicContact CD2-CD1 4.22Å; L180-L207 HydrophobicContact CG-CD1 3.99Å; M198-L207 HydrophobicContact CE-CB 4.13Å; M198-L207 HydrophobicContact CE-CD1 4.16Å; M198-L207 HydrophobicContact SD-CD1 3.82Å; L207-V222 HydrophobicContact CD2-CG1 3.97Å; L207-V222 HydrophobicContact CD2-CG2 3.94Å; L207-L232 HydrophobicContact CB-CD1 4.15Å; L207-E234 PolarHBondContact N-O 3.14Å; L207-T236 PolarHBondContact O-N 3.44Å
208Y98Very high93.1Very high54 Ų5444.7 Ų44.721%0.21222%0.215CC..EExtended strand (participates in β ladder)trans-122131.7-176.3-177.2-88.4000112F178 N179 L180 L181 R210 T236F178-Y208 PolarHBondContact O-N 2.8Å; N179-Y208 HydrophobicContact CB-CD1 4.44Å; N179-Y208 WeakPolarHBondContact OD1-CD1 3.37Å; L180-Y208 PolarHBondContact N-O 2.84Å; L181-Y208 HydrophobicContact CD1-CE1 4.2Å; Y208-R210 HydrophobicContact CE1-CB 4.01Å; Y208-R210 WeakPolarHBondContact OH-CB 3.44Å; Y208-R210 WeakPolarHBondContact OH-CD 3.25Å; Y208-T236 CarbonylContact C-O 3.49Å; Y208-T236 HydrophobicContact CD2-CG2 3.71Å; Y208-T236 HydrophobicContact CE2-CG2 3.75Å
209C97Very high93.3Very high0 Ų045.3 Ų45.30%022%0.218CC..EExtended strand (participates in β ladder)trans-153.3122.4174.5-176.20000109.1L180 T236 L237 E238L180-C209 HydrophobicContact CB-CB 4.2Å; L180-C209 HydrophobicContact CD1-CB 3.95Å; L180-C209 HydrophobicContact CG-CB 4.34Å; C209-T236 PolarHBondContact N-O 3.1Å; C209-L237 HydrophobicContact CB-CD2 3.87Å; C209-L237 CarbonylContact O-C 3.31Å; C209-L237 WeakPolarHBondContact O-CA 3.23Å; C209-E238 PolarHBondContact O-N 2.61Å
210R96.3Very high93.7Very high103 Ų10349.4 Ų49.439%0.38924%0.238SC..EExtended strand (participates in β ladder)trans-135.2135177.7-179.5176.4-174.217118.7110.5L181 Y208 L212 E238L181-R210 WeakPolarHBondContact CD2-O 3.32Å; Y208-R210 HydrophobicContact CE1-CB 4.01Å; Y208-R210 WeakPolarHBondContact OH-CB 3.44Å; Y208-R210 WeakPolarHBondContact OH-CD 3.25Å; R210-L212 PolarHBondContact O-N 3.4Å; R210-L212 VanDerWaalsContact O-N 3.1Å; R210-E238 CarbonylContact C-O 3.55Å; R210-E238 VanDerWaalsContact CA-O 3.3Å; R210-E238 WeakPolarHBondContact CA-O 3.44Å; R210-E238 HydrophobicContact CB-CB 4.35Å; R210-E238 HydrophobicContact CG-CB 4.06Å; R210-E238 HydrophobicContact CG-CG 4.18Å; R210-E238 IonicContact CZ-OE1 2.82Å; R210-E238 IonicContact CZ-OE2 3.59Å; R210-E238 IonicContact NE-OE1 3.57Å; R210-E238 PolarHBondContact NE-OE1 2.97Å; R210-E238 IonicContact NE-OE2 2.82Å; R210-E238 PolarHBondContact NE-OE2 3.15Å; R210-E238 IonicContact NH2-OE1 2.69Å; R210-E238 PolarHBondContact NH2-OE1 3.45Å; R210-E238 IonicContact NH2-OE2 3.71Å
211D95.5Very high94.3Very high103 Ų10350.1 Ų50.155%0.55124%0.242SC*.SBendtrans57.624.3175.6-62-47.4000114.4E238 N239D211-E238 PolarHBondContact N-O 3.07Å; D211-N239 WeakPolarHBondContact OD1-CB 3.42Å; D211-N239 PolarHBondContact OD1-ND2 3.48Å
212L94.3Very high94.9Very high36 Ų3650 Ų5019%0.18824%0.242CC..  trans-121.1118.8175.4176.470.1000109.6L180 L181 R210 I214 A240L180-L212 HydrophobicContact CB-CD2 4.32Å; L181-L212 HydrophobicContact CD2-CB 3.74Å; L181-L212 HydrophobicContact CD2-CD2 4.24Å; L181-L212 HydrophobicContact CD2-CG 4.47Å; R210-L212 PolarHBondContact O-N 3.4Å; R210-L212 VanDerWaalsContact O-N 3.1Å; L212-I214 PolarHBondContact O-N 2.91Å; L212-I214 VanDerWaalsContact O-N 3.15Å; L212-A240 VanDerWaalsContact O-CA 3.25Å; L212-A240 WeakPolarHBondContact O-CA 3.39Å
213R94.3Very high95.4Very high212 Ų21248.2 Ų48.280%0.823%0.23SC*.  trans-73.8106.5178.1-173.8171.8-173.2175.31.7110.6A240R213-A240 WeakPolarHBondContact CA-O 3.44Å
214I94.4Very high95.6Very high12 Ų1249 Ų496%0.06224%0.235CC..  trans-82.8139.9178.764.5173.9000111.4L180 L212 V218 A240 L242L180-I214 HydrophobicContact CD1-CG2 4.32Å; L212-I214 PolarHBondContact O-N 2.91Å; L212-I214 VanDerWaalsContact O-N 3.15Å; I214-V218 HydrophobicContact CB-CB 4.27Å; I214-V218 HydrophobicContact CB-CG1 4.25Å; I214-V218 HydrophobicContact CG2-CG1 4.45Å; I214-A240 HydrophobicContact CD1-CB 4.44Å; I214-A240 HydrophobicContact CG1-CB 4.26Å; I214-A240 PolarHBondContact N-O 3.25Å; I214-L242 HydrophobicContact CD1-CD2 3.8Å; I214-L242 HydrophobicContact CG1-CD2 4.21Å
215G92.7Very high95.7Very high28 Ų2848.8 Ų48.829%0.28924%0.235SC..  trans-71.6160.2176.200000112.2E217 V218 T219G215-E217 PolarHBondContact O-N 2.62Å; G215-V218 PolarHBondContact O-N 2.76Å; G215-V218 VanDerWaalsContact O-N 3.1Å; G215-T219 PolarHBondContact O-N 3.06Å; G215-T219 PolarHBondContact O-OG1 2.93Å; G215-T219 VanDerWaalsContact O-OG1 3.1Å
216S93.8Very high95.7Very high71 Ų7147.8 Ų47.850%0.49723%0.228SC..Hα-helixtrans-60.3-33.2-179.354.30000113.3T219 E220S216-T219 PolarHBondContact O-N 3.33Å; S216-E220 WeakPolarHBondContact O-CG 3.45Å; S216-E220 PolarHBondContact O-N 3.25Å
217E93.4Very high95.5Very high85 Ų8545.5 Ų45.540%0.39722%0.22SC..Hα-helixtrans-61.8-44.7175.9-65.2178.9171.100111.1R189 A192 G215 E220 Q221R189-E217 WeakPolarHBondContact CG-OE2 3.1Å; R189-E217 IonicContact NE-OE1 3.86Å; R189-E217 IonicContact NE-OE2 3.7Å; A192-E217 HydrophobicContact CB-CB 4.29Å; G215-E217 PolarHBondContact O-N 2.62Å; E217-E220 PolarHBondContact O-N 3.05Å; E217-Q221 WeakPolarHBondContact O-CG 3.45Å; E217-Q221 PolarHBondContact O-N 2.83Å
218V96.1Very high95.1Very high1 Ų150 Ų501%0.00624%0.24CC..Hα-helixtrans-64.4-44.2176.2-175.20000110.3S188 L191 A192 V195 I214 G215 E220 Q221 V222S188-V218 VanDerWaalsContact O-CG2 3.25Å; S188-V218 WeakPolarHBondContact O-CG2 3.27Å; L191-V218 HydrophobicContact CB-CG2 3.83Å; A192-V218 HydrophobicContact CB-CG2 4.22Å; V195-V218 HydrophobicContact CG2-CG1 4.01Å; I214-V218 HydrophobicContact CB-CB 4.27Å; I214-V218 HydrophobicContact CB-CG1 4.25Å; I214-V218 HydrophobicContact CG2-CG1 4.45Å; G215-V218 PolarHBondContact O-N 2.76Å; G215-V218 VanDerWaalsContact O-N 3.1Å; V218-E220 VanDerWaalsContact C-N 3.32Å; V218-E220 PolarHBondContact O-N 3Å; V218-Q221 CarbonylContact O-C 3.59Å; V218-Q221 PolarHBondContact O-N 2.95Å; V218-V222 WeakPolarHBondContact O-CG2 3.33Å; V218-V222 PolarHBondContact O-N 3.41Å
219T96.5Very high94.8Very high17 Ų1747.6 Ų47.610%0.10423%0.231CC..Hα-helixtrans-57.4-42.5177.7-51.10000112.5G215 S216 Q221 V222 L223 L242 F246G215-T219 PolarHBondContact O-N 3.06Å; G215-T219 PolarHBondContact O-OG1 2.93Å; G215-T219 VanDerWaalsContact O-OG1 3.1Å; S216-T219 PolarHBondContact O-N 3.33Å; T219-Q221 VanDerWaalsContact C-N 3.32Å; T219-Q221 PolarHBondContact O-N 3.1Å; T219-V222 WeakPolarHBondContact O-CB 3.16Å; T219-V222 PolarHBondContact O-N 2.86Å; T219-L223 WeakPolarHBondContact O-CG 3.2Å; T219-L223 PolarHBondContact O-N 3.33Å; T219-L223 VanDerWaalsContact O-N 3.08Å; T219-L242 HydrophobicContact CG2-CD2 4.36Å; T219-F246 HydrophobicContact CG2-CD2 3.36Å; T219-F246 HydrophobicContact CG2-CE2 3.51Å
220E96.2Very high94.4Very high88 Ų8850.4 Ų50.441%0.41125%0.25SS..Hα-helixtrans-65.8-35.3176.1-66.7-65.7148.100111.6S216 E217 V218 L223 H224 K249S216-E220 WeakPolarHBondContact O-CG 3.45Å; S216-E220 PolarHBondContact O-N 3.25Å; E217-E220 PolarHBondContact O-N 3.05Å; V218-E220 VanDerWaalsContact C-N 3.32Å; V218-E220 PolarHBondContact O-N 3Å; E220-L223 PolarHBondContact O-N 3.09Å; E220-H224 PolarHBondContact O-N 3.27Å; E220-K249 IonicContact OE1-NZ 2.77Å; E220-K249 PolarHBondContact OE1-NZ 3.32Å
221Q96Very high94.2Very high61 Ų6146.5 Ų46.529%0.28524%0.239SC..Hα-helixtrans-71.5-30.6174.3-62.2-52.8-36.700113.3A192 V195 A196 E217 V218 T219 H224 T225A192-Q221 HydrophobicContact CB-CG 3.9Å; A192-Q221 WeakPolarHBondContact O-CG 3.3Å; V195-Q221 HydrophobicContact CB-CB 4.2Å; V195-Q221 HydrophobicContact CG1-CB 4Å; A196-Q221 HydrophobicContact CB-CB 4.35Å; A196-Q221 HydrophobicContact CB-CG 4.22Å; E217-Q221 WeakPolarHBondContact O-CG 3.45Å; E217-Q221 PolarHBondContact O-N 2.83Å; V218-Q221 CarbonylContact O-C 3.59Å; V218-Q221 PolarHBondContact O-N 2.95Å; T219-Q221 VanDerWaalsContact C-N 3.32Å; T219-Q221 PolarHBondContact O-N 3.1Å; Q221-H224 PolarHBondContact O-N 3.47Å; Q221-T225 WeakPolarHBondContact O-CB 3.41Å; Q221-T225 PolarHBondContact O-N 3.34Å; Q221-T225 PolarHBondContact O-OG1 3.19Å
222V97.3Very high94.2Very high1 Ų141.8 Ų41.81%0.00621%0.213CC..Hα-helixtrans-62.3-47169.6174.50000110.1V195 L207 V218 T219 H224 T225 V226 L237 F246V195-V222 HydrophobicContact CG1-CB 4.42Å; V195-V222 HydrophobicContact CG1-CG2 3.78Å; L207-V222 HydrophobicContact CD2-CG1 3.97Å; L207-V222 HydrophobicContact CD2-CG2 3.94Å; V218-V222 WeakPolarHBondContact O-CG2 3.33Å; V218-V222 PolarHBondContact O-N 3.41Å; T219-V222 WeakPolarHBondContact O-CB 3.16Å; T219-V222 PolarHBondContact O-N 2.86Å; V222-H224 VanDerWaalsContact C-N 3.33Å; V222-H224 PolarHBondContact O-N 3.32Å; V222-T225 WeakPolarHBondContact O-CB 3.48Å; V222-T225 PolarHBondContact O-N 3.41Å; V222-T225 VanDerWaalsContact O-N 3.15Å; V222-V226 WeakPolarHBondContact O-CG2 3.38Å; V222-V226 PolarHBondContact O-N 3.05Å; V222-L237 HydrophobicContact CG1-CD1 4.05Å; V222-F246 HydrophobicContact CG1-CZ 4.44Å
223L97.4Very high94.2Very high12 Ų1243.3 Ų43.36%0.06322%0.22CC..Hα-helixtrans-61.8-40.6177.1-67.7167.9000112.1T219 E220 T225 V226 S227 F246 K249 M250 A253T219-L223 WeakPolarHBondContact O-CG 3.2Å; T219-L223 PolarHBondContact O-N 3.33Å; T219-L223 VanDerWaalsContact O-N 3.08Å; E220-L223 PolarHBondContact O-N 3.09Å; L223-T225 VanDerWaalsContact C-N 3.34Å; L223-V226 WeakPolarHBondContact O-CB 3.26Å; L223-V226 PolarHBondContact O-N 3.18Å; L223-S227 PolarHBondContact O-N 3.46Å; L223-F246 HydrophobicContact CD1-CD2 4.46Å; L223-F246 HydrophobicContact CD1-CE2 4.41Å; L223-F246 HydrophobicContact CD2-CD2 4.24Å; L223-F246 HydrophobicContact CD2-CE2 3.77Å; L223-F246 HydrophobicContact CD2-CZ 4.2Å; L223-F246 HydrophobicContact CG-CD2 4.42Å; L223-F246 HydrophobicContact CG-CE2 3.91Å; L223-K249 HydrophobicContact CD1-CB 3.63Å; L223-K249 HydrophobicContact CD1-CD 3.74Å; L223-K249 HydrophobicContact CD1-CG 4.35Å; L223-K249 HydrophobicContact CD2-CB 3.92Å; L223-K249 HydrophobicContact CG-CB 4.44Å; L223-M250 VanDerWaalsContact CD2-CA 3.49Å; L223-M250 HydrophobicContact CD2-CB 3.87Å; L223-A253 WeakPolarHBondContact O-CB 3.37Å
224H94.5Very high94.4Very high56 Ų5635.4 Ų35.426%0.25919%0.192SC..Hα-helixtrans-62.2-41.2173.1-179.569.3000112.3Y200 E220 Q221 V222 V226 S227 K228Y200-H224 AromaticContact CZ-NE2 3.78Å; Y200-H224 PolarHBondContact OH-NE2 3.48Å; Y200-H224 VanDerWaalsContact OH-NE2 3.09Å; E220-H224 PolarHBondContact O-N 3.27Å; Q221-H224 PolarHBondContact O-N 3.47Å; V222-H224 VanDerWaalsContact C-N 3.33Å; V222-H224 PolarHBondContact O-N 3.32Å; H224-V226 VanDerWaalsContact C-N 3.33Å; H224-V226 PolarHBondContact O-N 2.99Å; H224-S227 PolarHBondContact O-N 2.81Å; H224-S227 PolarHBondContact O-OG 2.88Å; H224-S227 VanDerWaalsContact O-OG 3.05Å; H224-K228 WeakPolarHBondContact O-CG 3.48Å; H224-K228 PolarHBondContact O-N 2.78Å
225T94.8Very high94.5Very high1 Ų134.9 Ų34.91%0.00619%0.189CC..Hα-helixtrans-61.1-43.6175.4-59.40000110.9V195 M198 A199 Q221 V222 L223 S227 K228 S229 L232V195-T225 PolarHBondContact O-OG1 3.28Å; V195-T225 VanDerWaalsContact O-OG1 3.11Å; M198-T225 HydrophobicContact CB-CG2 3.98Å; A199-T225 HydrophobicContact CB-CG2 4.41Å; Q221-T225 WeakPolarHBondContact O-CB 3.41Å; Q221-T225 PolarHBondContact O-N 3.34Å; Q221-T225 PolarHBondContact O-OG1 3.19Å; V222-T225 WeakPolarHBondContact O-CB 3.48Å; V222-T225 PolarHBondContact O-N 3.41Å; V222-T225 VanDerWaalsContact O-N 3.15Å; L223-T225 VanDerWaalsContact C-N 3.34Å; T225-S227 VanDerWaalsContact C-N 3.31Å; T225-S227 PolarHBondContact O-N 3.15Å; T225-K228 PolarHBondContact O-N 2.87Å; T225-S229 WeakPolarHBondContact O-CB 3.33Å; T225-S229 PolarHBondContact O-N 3.13Å; T225-L232 HydrophobicContact CG2-CD2 4Å
226V95.4Very high94.8Very high2 Ų234.7 Ų34.71%0.01218%0.182CC..Hα-helixtrans-61.7-37.1175.2172.80000112.2V222 L223 H224 K228 L232 I235 M250 A253 L254 N257 I262V222-V226 WeakPolarHBondContact O-CG2 3.38Å; V222-V226 PolarHBondContact O-N 3.05Å; L223-V226 WeakPolarHBondContact O-CB 3.26Å; L223-V226 PolarHBondContact O-N 3.18Å; H224-V226 VanDerWaalsContact C-N 3.33Å; H224-V226 PolarHBondContact O-N 2.99Å; V226-K228 VanDerWaalsContact C-N 3.34Å; V226-K228 PolarHBondContact O-N 3.44Å; V226-L232 HydrophobicContact CG2-CD2 4.43Å; V226-I235 HydrophobicContact CG2-CD1 3.41Å; V226-I235 VanDerWaalsContact CG2-CD1 3.41Å; V226-M250 HydrophobicContact CG1-CG 4.48Å; V226-A253 HydrophobicContact CB-CB 4.25Å; V226-A253 HydrophobicContact CG1-CB 3.98Å; V226-L254 HydrophobicContact CG1-CD2 3.58Å; V226-L254 HydrophobicContact CG1-CG 3.71Å; V226-N257 PolarHBondContact O-ND2 3.45Å; V226-I262 HydrophobicContact CG1-CD1 4.03Å; V226-I262 HydrophobicContact CG2-CD1 4.28Å
227S94Very high95Very high11 Ų1131.3 Ų31.38%0.07716%0.159CC..Hα-helixtrans-79.9-11.3-17878.20000114.7L223 H224 T225 A253 N257L223-S227 PolarHBondContact O-N 3.46Å; H224-S227 PolarHBondContact O-N 2.81Å; H224-S227 PolarHBondContact O-OG 2.88Å; H224-S227 VanDerWaalsContact O-OG 3.05Å; T225-S227 VanDerWaalsContact C-N 3.31Å; T225-S227 PolarHBondContact O-N 3.15Å; S227-A253 WeakPolarHBondContact CA-O 3.4Å; S227-N257 WeakPolarHBondContact O-CB 3.47Å
228K90.1Very high95.2Very high96 Ų9628.1 Ų28.142%0.41714%0.144SC..Hα-helixtrans-122.9-30.8-176.3-59.3-59.2164.8-143.70114.9A199 Y200 H224 T225 V226 S230A199-K228 HydrophobicContact CB-CB 4.27Å; A199-K228 CarbonylContact O-C 3.6Å; Y200-K228 HydrophobicContact CE1-CB 4.13Å; Y200-K228 HydrophobicContact CE1-CG 4.33Å; H224-K228 WeakPolarHBondContact O-CG 3.48Å; H224-K228 PolarHBondContact O-N 2.78Å; T225-K228 PolarHBondContact O-N 2.87Å; V226-K228 VanDerWaalsContact C-N 3.34Å; V226-K228 PolarHBondContact O-N 3.44Å; K228-S230 PolarHBondContact O-N 2.88Å
229S90.9Very high95.3Very high4 Ų431.4 Ų31.43%0.02816%0.162CC..  trans-71.2131.5-174.3-174.70000111.3A199 T225 S231 L232 N257A199-S229 WeakPolarHBondContact O-CA 3.48Å; A199-S229 PolarHBondContact O-N 3.18Å; T225-S229 WeakPolarHBondContact O-CB 3.33Å; T225-S229 PolarHBondContact O-N 3.13Å; S229-S231 PolarHBondContact OG-N 3.29Å; S229-L232 WeakPolarHBondContact OG-CB 3.49Å; S229-L232 PolarHBondContact OG-N 3.1Å; S229-L232 VanDerWaalsContact OG-N 3.1Å; S229-N257 PolarHBondContact O-ND2 3.25Å
230S89.1Confident95.3Very high58 Ų5830.6 Ų30.641%0.40616%0.157SC..SBendtrans-98.4-2.8170.256.90000112.9K228 V261K228-S230 PolarHBondContact O-N 2.88Å; S230-V261 WeakPolarHBondContact O-CG2 3.47Å
231S91.5Very high95.2Very high22 Ų2228.2 Ų28.215%0.15416%0.156CC..SBendtrans-115.2-14.1-174.3-550000113.3T202 T205 S229 E233T202-S231 WeakPolarHBondContact CA-OG 3.27Å; T205-S231 WeakPolarHBondContact CA-O 3.26Å; S229-S231 PolarHBondContact OG-N 3.29Å; S231-E233 PolarHBondContact O-N 3.43Å
232L94.9Very high95.2Very high3 Ų325.9 Ų25.92%0.01615%0.145CC..  trans-72.5117.3178.1-171.765.2000110.3L207 T225 V226 S229 I235 V261 I262L207-L232 HydrophobicContact CB-CD1 4.15Å; T225-L232 HydrophobicContact CG2-CD2 4Å; V226-L232 HydrophobicContact CG2-CD2 4.43Å; S229-L232 WeakPolarHBondContact OG-CB 3.49Å; S229-L232 PolarHBondContact OG-N 3.1Å; S229-L232 VanDerWaalsContact OG-N 3.1Å; L232-I235 HydrophobicContact CD1-CG1 4.38Å; L232-I235 HydrophobicContact CD2-CD1 3.6Å; L232-I235 HydrophobicContact CD2-CG1 3.77Å; L232-I235 HydrophobicContact CG-CD1 4.31Å; L232-I235 HydrophobicContact CG-CG1 4.05Å; L232-V261 WeakPolarHBondContact O-CG2 3.38Å; L232-I262 HydrophobicContact CD2-CD1 4.35Å; L232-I262 HydrophobicContact CG-CG1 4.45Å; L232-I262 WeakPolarHBondContact O-CG1 3.44Å; L232-I262 PolarHBondContact O-N 3.05Å
233E95.4Very high95.2Very high68 Ų6832 Ų3232%0.31817%0.171SC..  trans-105.4-37.1-177.1-68174.7174.100111.8T205 S231 V261 I262 H263 S264T205-E233 WeakPolarHBondContact O-CA 3.41Å; T205-E233 PolarHBondContact O-N 3.2Å; S231-E233 PolarHBondContact O-N 3.43Å; E233-V261 HydrophobicContact CG-CG2 3.83Å; E233-I262 WeakPolarHBondContact O-CA 3.46Å; E233-H263 PolarHBondContact O-N 2.94Å; E233-S264 PolarHBondContact O-N 3.3Å
234E97.3Very high95.1Very high46 Ų4634.6 Ų34.622%0.21519%0.19CC..EExtended strand (participates in β ladder)trans-132.2136.6-173.3-47-168.8-176.600112.9T205 K206 L207 H263 S264T205-E234 PolarHBondContact O-N 3.49Å; K206-E234 VanDerWaalsContact CA-O 3.3Å; K206-E234 WeakPolarHBondContact CA-O 3.42Å; K206-E234 HydrophobicContact CB-CB 4.04Å; K206-E234 HydrophobicContact CD-CB 4.19Å; K206-E234 HydrophobicContact CD-CG 4.16Å; K206-E234 VanDerWaalsContact CD-OE2 3.31Å; K206-E234 WeakPolarHBondContact CD-OE2 3.35Å; K206-E234 WeakPolarHBondContact CE-OE1 3.25Å; K206-E234 VanDerWaalsContact CE-OE2 3.26Å; K206-E234 WeakPolarHBondContact CE-OE2 3.49Å; K206-E234 HydrophobicContact CG-CB 3.89Å; K206-E234 HydrophobicContact CG-CG 4.04Å; K206-E234 IonicContact NZ-OE1 2.76Å; K206-E234 PolarHBondContact NZ-OE1 3.18Å; K206-E234 IonicContact NZ-OE2 3.49Å; K206-E234 PolarHBondContact NZ-OE2 3.35Å; L207-E234 PolarHBondContact N-O 3.14Å; E234-H263 IonicContact OE1-CE1 3.97Å; E234-S264 WeakPolarHBondContact CA-O 3.41Å
235I97.8Very high95.1Very high1 Ų134.8 Ų34.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-130.3120.1176.9-60.6176.2000109.2V226 L232 L237 M250 I262 S264 N266V226-I235 HydrophobicContact CG2-CD1 3.41Å; V226-I235 VanDerWaalsContact CG2-CD1 3.41Å; L232-I235 HydrophobicContact CD1-CG1 4.38Å; L232-I235 HydrophobicContact CD2-CD1 3.6Å; L232-I235 HydrophobicContact CD2-CG1 3.77Å; L232-I235 HydrophobicContact CG-CD1 4.31Å; L232-I235 HydrophobicContact CG-CG1 4.05Å; I235-L237 HydrophobicContact CG2-CD1 3.98Å; I235-L237 HydrophobicContact CG2-CG 3.84Å; I235-M250 HydrophobicContact CD1-CE 3.9Å; I235-I262 HydrophobicContact CD1-CD1 3.71Å; I235-S264 PolarHBondContact N-O 2.93Å; I235-N266 PolarHBondContact O-N 3.01Å
236T98.3Very high95.2Very high24 Ų2434.9 Ų34.915%0.14719%0.194CC..EExtended strand (participates in β ladder)trans-119.2113.7172.3-64.10000109.6L207 Y208 C209 E238 N266L207-T236 PolarHBondContact O-N 3.44Å; Y208-T236 CarbonylContact C-O 3.49Å; Y208-T236 HydrophobicContact CD2-CG2 3.71Å; Y208-T236 HydrophobicContact CE2-CG2 3.75Å; C209-T236 PolarHBondContact N-O 3.1Å; T236-E238 HydrophobicContact CG2-CB 4.4Å; T236-N266 HydrophobicContact CG2-CB 4.1Å
237L98Very high95.3Very high0 Ų034.8 Ų34.80%019%0.193CC..EExtended strand (participates in β ladder)trans-128.165.9175.5-58.1173.1000108.5C209 V222 I235 A240 L242 F246 N266 L267 N270C209-L237 HydrophobicContact CB-CD2 3.87Å; C209-L237 CarbonylContact O-C 3.31Å; C209-L237 WeakPolarHBondContact O-CA 3.23Å; V222-L237 HydrophobicContact CG1-CD1 4.05Å; I235-L237 HydrophobicContact CG2-CD1 3.98Å; I235-L237 HydrophobicContact CG2-CG 3.84Å; L237-A240 HydrophobicContact CB-CB 4.12Å; L237-L242 HydrophobicContact CB-CD1 3.99Å; L237-L242 HydrophobicContact CD1-CD1 4.18Å; L237-L242 HydrophobicContact CD1-CD2 4.31Å; L237-F246 HydrophobicContact CD1-CE1 4.11Å; L237-F246 HydrophobicContact CD1-CZ 3.71Å; L237-N266 PolarHBondContact N-O 3.33Å; L237-L267 HydrophobicContact CB-CD2 4.11Å; L237-L267 HydrophobicContact CD1-CD2 4.21Å; L237-N270 PolarHBondContact O-ND2 3.01Å
238E97.8Very high95.4Very high19 Ų1937.3 Ų37.39%0.08920%0.204CC..EExtended strand (participates in β ladder)trans-83129.3-176.9179.8179.8156.300110.9C209 R210 D211 T236 A240 A268 H269C209-E238 PolarHBondContact O-N 2.61Å; R210-E238 CarbonylContact C-O 3.55Å; R210-E238 VanDerWaalsContact CA-O 3.3Å; R210-E238 WeakPolarHBondContact CA-O 3.44Å; R210-E238 HydrophobicContact CB-CB 4.35Å; R210-E238 HydrophobicContact CG-CB 4.06Å; R210-E238 HydrophobicContact CG-CG 4.18Å; R210-E238 IonicContact CZ-OE1 2.82Å; R210-E238 IonicContact CZ-OE2 3.59Å; R210-E238 IonicContact NE-OE1 3.57Å; R210-E238 PolarHBondContact NE-OE1 2.97Å; R210-E238 IonicContact NE-OE2 2.82Å; R210-E238 PolarHBondContact NE-OE2 3.15Å; R210-E238 IonicContact NH2-OE1 2.69Å; R210-E238 PolarHBondContact NH2-OE1 3.45Å; R210-E238 IonicContact NH2-OE2 3.71Å; D211-E238 PolarHBondContact N-O 3.07Å; T236-E238 HydrophobicContact CG2-CB 4.4Å; E238-A240 PolarHBondContact O-N 2.74Å; E238-A268 CarbonylContact C-O 3.56Å; E238-A268 WeakPolarHBondContact CA-O 3.35Å; E238-A268 HydrophobicContact CG-CB 4.12Å; E238-H269 HydrophobicContact CG-CB 4.43Å
239N96.9Very high95.8Very high70 Ų7036.2 Ų36.237%0.37420%0.199SC..THydrogen-bonded Turntrans49.436.6-179.7-168.528.7000112.6D211 G241 A268 H269D211-N239 WeakPolarHBondContact OD1-CB 3.42Å; D211-N239 PolarHBondContact OD1-ND2 3.48Å; N239-G241 PolarHBondContact O-N 2.96Å; N239-A268 PolarHBondContact N-O 2.98Å; N239-H269 HydrophobicContact CB-CB 3.78Å
240A96.8Very high96.1Very high0 Ų036 Ų360%020%0.198CC..  trans-84.43.3-173.700000113L212 R213 I214 L237 E238 L242 N270L212-A240 VanDerWaalsContact O-CA 3.25Å; L212-A240 WeakPolarHBondContact O-CA 3.39Å; R213-A240 WeakPolarHBondContact CA-O 3.44Å; I214-A240 HydrophobicContact CD1-CB 4.44Å; I214-A240 HydrophobicContact CG1-CB 4.26Å; I214-A240 PolarHBondContact N-O 3.25Å; L237-A240 HydrophobicContact CB-CB 4.12Å; E238-A240 PolarHBondContact O-N 2.74Å; A240-L242 VanDerWaalsContact C-N 3.32Å; A240-L242 HydrophobicContact CB-CD2 4.24Å; A240-L242 HydrophobicContact CB-CG 4.19Å; A240-N270 PolarHBondContact N-OD1 3.1Å; A240-N270 VanDerWaalsContact N-OD1 3.12Å
241G94.9Very high96.4Very high38 Ų3833.6 Ų33.639%0.39218%0.181SC..  trans67.732.3-176.900000113.1N239 N270N239-G241 PolarHBondContact O-N 2.96Å; G241-N270 PolarHBondContact N-OD1 3.24Å
242L96.5Very high96.7Very high12 Ų1235.5 Ų35.56%0.06319%0.192CC..  trans-61145.4178.4-57.5177.3000110.8I214 T219 L237 A240 F246 L267 N270I214-L242 HydrophobicContact CD1-CD2 3.8Å; I214-L242 HydrophobicContact CG1-CD2 4.21Å; T219-L242 HydrophobicContact CG2-CD2 4.36Å; L237-L242 HydrophobicContact CB-CD1 3.99Å; L237-L242 HydrophobicContact CD1-CD1 4.18Å; L237-L242 HydrophobicContact CD1-CD2 4.31Å; A240-L242 VanDerWaalsContact C-N 3.32Å; A240-L242 HydrophobicContact CB-CD2 4.24Å; A240-L242 HydrophobicContact CB-CG 4.19Å; L242-F246 HydrophobicContact CB-CB 4.25Å; L242-F246 HydrophobicContact CB-CG 4.37Å; L242-F246 HydrophobicContact CD1-CD1 3.73Å; L242-F246 HydrophobicContact CD1-CE1 3.91Å; L242-F246 HydrophobicContact CD1-CG 4.17Å; L242-F246 HydrophobicContact CD1-CZ 4.48Å; L242-F246 HydrophobicContact CD2-CD2 4.26Å; L242-F246 HydrophobicContact CD2-CE2 4.35Å; L242-F246 HydrophobicContact CD2-CG 4.39Å; L242-L267 HydrophobicContact CD1-CD2 3.98Å; L242-N270 HydrophobicContact CB-CB 4.12Å; L242-N270 HydrophobicContact CD1-CB 4.36Å; L242-N270 HydrophobicContact CG-CB 4.46Å; L242-N270 WeakPolarHBondContact CG-OD1 3.46Å; L242-N270 PolarHBondContact N-OD1 3.02Å; L242-N270 VanDerWaalsContact N-OD1 3.1Å
243K95.8Very high96.7Very high129 Ų12935.7 Ų35.756%0.56119%0.194SC*.  trans-71154.3171.5-64.5-175179.8179.30110.2D245 F246K243-D245 WeakPolarHBondContact CB-OD1 3.26Å; K243-D245 PolarHBondContact O-N 3.1Å; K243-F246 WeakPolarHBondContact O-CB 3.31Å; K243-F246 PolarHBondContact O-N 3.4Å; K243-F246 VanDerWaalsContact O-N 3.09Å
244S95.3Very high96.7Very high66 Ų6632.5 Ų32.546%0.46218%0.179SC..THydrogen-bonded Turntrans-60.1-33.6-17657.50000113.4F246 P247 S271 D273S244-F246 VanDerWaalsContact C-N 3.29Å; S244-F246 PolarHBondContact O-N 3.26Å; S244-P247 VanDerWaalsContact O-CD 3.29Å; S244-P247 WeakPolarHBondContact O-CD 3.37Å; S244-S271 WeakPolarHBondContact CA-O 3.43Å; S244-D273 PolarHBondContact O-N 2.91Å
245D95.6Very high96.5Very high60 Ų6033.6 Ų33.632%0.32119%0.191SC..THydrogen-bonded Turntrans-80.3-2.5-179.666.4-42.6000114.4K243 P247 Q248 K249K243-D245 WeakPolarHBondContact CB-OD1 3.26Å; K243-D245 PolarHBondContact O-N 3.1Å; D245-P247 VanDerWaalsContact C-CD 3.47Å; D245-Q248 WeakPolarHBondContact O-CB 3.48Å; D245-Q248 PolarHBondContact O-N 3.01Å; D245-K249 PolarHBondContact O-N 3.34Å; D245-K249 VanDerWaalsContact OD2-CE 3.24Å; D245-K249 WeakPolarHBondContact OD2-CE 3.5Å; D245-K249 IonicContact OD2-NZ 3.67Å
246F97.5Very high96.2Very high3 Ų339 Ų391%0.01322%0.217CC..Hα-helixtrans-54.1-45.1-178.8176.9-93.9000113.8T219 V222 L223 L237 L242 K243 S244 Q248 K249 M250 L267T219-F246 HydrophobicContact CG2-CD2 3.36Å; T219-F246 HydrophobicContact CG2-CE2 3.51Å; V222-F246 HydrophobicContact CG1-CZ 4.44Å; L223-F246 HydrophobicContact CD1-CD2 4.46Å; L223-F246 HydrophobicContact CD1-CE2 4.41Å; L223-F246 HydrophobicContact CD2-CD2 4.24Å; L223-F246 HydrophobicContact CD2-CE2 3.77Å; L223-F246 HydrophobicContact CD2-CZ 4.2Å; L223-F246 HydrophobicContact CG-CD2 4.42Å; L223-F246 HydrophobicContact CG-CE2 3.91Å; L237-F246 HydrophobicContact CD1-CE1 4.11Å; L237-F246 HydrophobicContact CD1-CZ 3.71Å; L242-F246 HydrophobicContact CB-CB 4.25Å; L242-F246 HydrophobicContact CB-CG 4.37Å; L242-F246 HydrophobicContact CD1-CD1 3.73Å; L242-F246 HydrophobicContact CD1-CE1 3.91Å; L242-F246 HydrophobicContact CD1-CG 4.17Å; L242-F246 HydrophobicContact CD1-CZ 4.48Å; L242-F246 HydrophobicContact CD2-CD2 4.26Å; L242-F246 HydrophobicContact CD2-CE2 4.35Å; L242-F246 HydrophobicContact CD2-CG 4.39Å; K243-F246 WeakPolarHBondContact O-CB 3.31Å; K243-F246 PolarHBondContact O-N 3.4Å; K243-F246 VanDerWaalsContact O-N 3.09Å; S244-F246 VanDerWaalsContact C-N 3.29Å; S244-F246 PolarHBondContact O-N 3.26Å; F246-Q248 VanDerWaalsContact C-N 3.28Å; F246-Q248 PolarHBondContact O-N 3.17Å; F246-K249 PolarHBondContact O-N 3.17Å; F246-K249 VanDerWaalsContact O-N 3.11Å; F246-M250 HydrophobicContact CE1-CB 4.28Å; F246-M250 HydrophobicContact CE1-SD 3.89Å; F246-M250 HydrophobicContact CZ-SD 4.36Å; F246-M250 PolarHBondContact O-N 3.41Å; F246-L267 HydrophobicContact CD1-CD1 4.5Å; F246-L267 HydrophobicContact CD1-CD2 4.49Å; F246-L267 HydrophobicContact CE1-CD1 4.4Å; F246-L267 HydrophobicContact CE1-CD2 3.9Å
247P96.9Very high95.8Very high0 Ų038.3 Ų38.30%021%0.212CC..Hα-helixtrans-64.1-34.8-178.2-23.737.7000112.3S244 D245 M250 A251 L272 G276 V277 L280S244-P247 VanDerWaalsContact O-CD 3.29Å; S244-P247 WeakPolarHBondContact O-CD 3.37Å; D245-P247 VanDerWaalsContact C-CD 3.47Å; P247-M250 PolarHBondContact O-N 3.02Å; P247-A251 WeakPolarHBondContact O-CB 3.34Å; P247-A251 PolarHBondContact O-N 2.75Å; P247-L272 HydrophobicContact CG-CB 3.98Å; P247-L272 HydrophobicContact CG-CD1 3.76Å; P247-L272 HydrophobicContact CG-CD2 3.74Å; P247-L272 HydrophobicContact CG-CG 4Å; P247-G276 CarbonylContact C-O 3.59Å; P247-V277 HydrophobicContact CB-CG2 3.96Å; P247-V277 HydrophobicContact CG-CG2 3.83Å; P247-L280 HydrophobicContact CB-CB 4.29Å; P247-L280 HydrophobicContact CB-CD2 4.11Å
248Q96.6Very high95.2Very high65 Ų6544.3 Ų44.330%0.30425%0.251SS..Hα-helixtrans-63.1-43.6174.3-176.357.956.400111.2D245 F246 A251 T252 S279D245-Q248 WeakPolarHBondContact O-CB 3.48Å; D245-Q248 PolarHBondContact O-N 3.01Å; F246-Q248 VanDerWaalsContact C-N 3.28Å; F246-Q248 PolarHBondContact O-N 3.17Å; Q248-A251 WeakPolarHBondContact O-CB 3.29Å; Q248-A251 PolarHBondContact O-N 2.79Å; Q248-T252 PolarHBondContact O-N 3Å; Q248-T252 VanDerWaalsContact O-N 3.15Å; Q248-T252 PolarHBondContact O-OG1 2.87Å; Q248-S279 PolarHBondContact OE1-OG 3.1Å
249K97.6Very high94.7Very high72 Ų7246 Ų4631%0.31327%0.269SS..Hα-helixtrans-66.1-39.8175.9-67.6-177.8171.1-176.50112.1E220 L223 D245 F246 A251 T252 A253E220-K249 IonicContact OE1-NZ 2.77Å; E220-K249 PolarHBondContact OE1-NZ 3.32Å; L223-K249 HydrophobicContact CD1-CB 3.63Å; L223-K249 HydrophobicContact CD1-CD 3.74Å; L223-K249 HydrophobicContact CD1-CG 4.35Å; L223-K249 HydrophobicContact CD2-CB 3.92Å; L223-K249 HydrophobicContact CG-CB 4.44Å; D245-K249 PolarHBondContact O-N 3.34Å; D245-K249 VanDerWaalsContact OD2-CE 3.24Å; D245-K249 WeakPolarHBondContact OD2-CE 3.5Å; D245-K249 IonicContact OD2-NZ 3.67Å; F246-K249 PolarHBondContact O-N 3.17Å; F246-K249 VanDerWaalsContact O-N 3.11Å; K249-A251 VanDerWaalsContact C-N 3.33Å; K249-T252 WeakPolarHBondContact O-CB 3.36Å; K249-T252 PolarHBondContact O-N 3.41Å; K249-A253 PolarHBondContact O-N 3.12Å
250M97.3Very high94.3Very high1 Ų142.8 Ų42.81%0.00525%0.251CS..Hα-helixtrans-64.2-39.2176.9-173.2177.4176.300111.3L223 V226 I235 F246 P247 T252 A253 L254 I265 L267 L280L223-M250 VanDerWaalsContact CD2-CA 3.49Å; L223-M250 HydrophobicContact CD2-CB 3.87Å; V226-M250 HydrophobicContact CG1-CG 4.48Å; I235-M250 HydrophobicContact CD1-CE 3.9Å; F246-M250 HydrophobicContact CE1-CB 4.28Å; F246-M250 HydrophobicContact CE1-SD 3.89Å; F246-M250 HydrophobicContact CZ-SD 4.36Å; F246-M250 PolarHBondContact O-N 3.41Å; P247-M250 PolarHBondContact O-N 3.02Å; M250-T252 VanDerWaalsContact C-N 3.34Å; M250-T252 PolarHBondContact O-N 3.43Å; M250-A253 PolarHBondContact O-N 2.95Å; M250-L254 HydrophobicContact CG-CD1 4.44Å; M250-L254 WeakPolarHBondContact O-CG 3.44Å; M250-L254 PolarHBondContact O-N 2.94Å; M250-I265 HydrophobicContact CE-CD1 3.93Å; M250-I265 HydrophobicContact CE-CG1 4.19Å; M250-I265 HydrophobicContact CE-CG2 4.39Å; M250-L267 HydrophobicContact SD-CD1 4.5Å; M250-L280 HydrophobicContact CB-CD1 4.2Å; M250-L280 HydrophobicContact CE-CD1 4.5Å; M250-L280 HydrophobicContact CG-CD1 3.89Å; M250-L280 HydrophobicContact SD-CD1 4.07Å; M250-L280 HydrophobicContact SD-CD2 4.19Å
251A95.9Very high94.1Very high6 Ų644 Ų445%0.0526%0.259CS..Hα-helixtrans-59.2-45.1172.500000111.5P247 Q248 K249 L254 S255 L280 Q283P247-A251 WeakPolarHBondContact O-CB 3.34Å; P247-A251 PolarHBondContact O-N 2.75Å; Q248-A251 WeakPolarHBondContact O-CB 3.29Å; Q248-A251 PolarHBondContact O-N 2.79Å; K249-A251 VanDerWaalsContact C-N 3.33Å; A251-L254 PolarHBondContact O-N 3.02Å; A251-S255 PolarHBondContact O-N 2.87Å; A251-L280 HydrophobicContact CB-CB 4.37Å; A251-Q283 HydrophobicContact CB-CB 4.33Å; A251-Q283 WeakPolarHBondContact O-CG 3.33Å
252T96.5Very high94.1Very high63 Ų6342.3 Ų42.339%0.38724%0.241SC..Hα-helixtrans-61.3-46.7174.8-55.20000111.4Q248 K249 M250 L254 S255 E256Q248-T252 PolarHBondContact O-N 3Å; Q248-T252 VanDerWaalsContact O-N 3.15Å; Q248-T252 PolarHBondContact O-OG1 2.87Å; K249-T252 WeakPolarHBondContact O-CB 3.36Å; K249-T252 PolarHBondContact O-N 3.41Å; M250-T252 VanDerWaalsContact C-N 3.34Å; M250-T252 PolarHBondContact O-N 3.43Å; T252-L254 VanDerWaalsContact C-N 3.33Å; T252-L254 PolarHBondContact O-N 2.75Å; T252-S255 WeakPolarHBondContact O-CB 3.1Å; T252-S255 PolarHBondContact O-N 3.22Å; T252-S255 PolarHBondContact O-OG 2.88Å; T252-E256 PolarHBondContact O-N 2.9Å
253A96.2Very high93.9Very high6 Ų642.1 Ų42.15%0.0524%0.24CC..Hα-helixtrans-58.7-42.7178.300000112.5L223 V226 S227 K249 M250 S255 E256 N257L223-A253 WeakPolarHBondContact O-CB 3.37Å; V226-A253 HydrophobicContact CB-CB 4.25Å; V226-A253 HydrophobicContact CG1-CB 3.98Å; S227-A253 WeakPolarHBondContact CA-O 3.4Å; K249-A253 PolarHBondContact O-N 3.12Å; M250-A253 PolarHBondContact O-N 2.95Å; A253-S255 VanDerWaalsContact C-N 3.29Å; A253-S255 PolarHBondContact O-N 3.36Å; A253-E256 PolarHBondContact O-N 3.3Å; A253-N257 PolarHBondContact O-N 2.9Å
254L94.3Very high93.9Very high2 Ų236.4 Ų36.41%0.0122%0.216CC..Hα-helixtrans-65.6-31.5174.7-73.8170.5000112.6V226 M250 A251 T252 E256 N257 I262 L280 Q283 V284 L287V226-L254 HydrophobicContact CG1-CD2 3.58Å; V226-L254 HydrophobicContact CG1-CG 3.71Å; M250-L254 HydrophobicContact CG-CD1 4.44Å; M250-L254 WeakPolarHBondContact O-CG 3.44Å; M250-L254 PolarHBondContact O-N 2.94Å; A251-L254 PolarHBondContact O-N 3.02Å; T252-L254 VanDerWaalsContact C-N 3.33Å; T252-L254 PolarHBondContact O-N 2.75Å; L254-E256 VanDerWaalsContact C-N 3.28Å; L254-E256 PolarHBondContact O-N 3.37Å; L254-N257 PolarHBondContact O-N 2.81Å; L254-I262 HydrophobicContact CD2-CD1 3.83Å; L254-L280 HydrophobicContact CD1-CD1 3.69Å; L254-Q283 HydrophobicContact CB-CG 3.71Å; L254-V284 HydrophobicContact CD1-CG2 3.88Å; L254-L287 HydrophobicContact CD2-CD1 4.35Å; L254-L287 HydrophobicContact CD2-CD2 4.45Å
255S93.5Very high94Very high68 Ų6833.3 Ų33.348%0.47619%0.194SC..Hα-helixtrans-69.2-26.8176.379.40000113.7A251 T252 A253 N257A251-S255 PolarHBondContact O-N 2.87Å; T252-S255 WeakPolarHBondContact O-CB 3.1Å; T252-S255 PolarHBondContact O-N 3.22Å; T252-S255 PolarHBondContact O-OG 2.88Å; A253-S255 VanDerWaalsContact C-N 3.29Å; A253-S255 PolarHBondContact O-N 3.36Å; S255-N257 VanDerWaalsContact C-N 3.28Å
256E92.4Very high94.1Very high114 Ų11431.2 Ų31.253%0.53318%0.183SC..THydrogen-bonded Turntrans-80.4-10.9174.8-64.4178.6-178.300112.8T252 A253 L254 P258T252-E256 PolarHBondContact O-N 2.9Å; A253-E256 PolarHBondContact O-N 3.3Å; L254-E256 VanDerWaalsContact C-N 3.28Å; L254-E256 PolarHBondContact O-N 3.37Å; E256-P258 WeakPolarHBondContact O-CD 3.47Å
257N89.6Confident94.1Very high10 Ų1031.1 Ų31.15%0.05318%0.182CC..  trans-119.783.7-175.1-170.32.3000112.8V226 S227 S229 A253 L254 S255 A259 S260V226-N257 PolarHBondContact O-ND2 3.45Å; S227-N257 WeakPolarHBondContact O-CB 3.47Å; S229-N257 PolarHBondContact O-ND2 3.25Å; A253-N257 PolarHBondContact O-N 2.9Å; L254-N257 PolarHBondContact O-N 2.81Å; S255-N257 VanDerWaalsContact C-N 3.28Å; N257-A259 PolarHBondContact O-N 3.48Å; N257-A259 PolarHBondContact OD1-N 3.18Å; N257-S260 WeakPolarHBondContact O-CB 3.45Å; N257-S260 PolarHBondContact O-N 3.45Å; N257-S260 PolarHBondContact OD1-N 2.88Å
258P85.1Confident94.2Very high126 Ų12631.1 Ų31.182%0.81818%0.183SC*.THydrogen-bonded Turntrans-68.6-1617729.6-35.7000113.4E256 S260E256-P258 WeakPolarHBondContact O-CD 3.47Å; P258-S260 VanDerWaalsContact C-N 3.34Å
259A86.9Confident94.2Very high56 Ų5630.5 Ų30.546%0.46318%0.18SC..THydrogen-bonded Turntrans-91.74.9178.600000112.9N257 V261N257-A259 PolarHBondContact O-N 3.48Å; N257-A259 PolarHBondContact OD1-N 3.18Å; A259-V261 PolarHBondContact O-N 3.05Å
260S90.2Very high94.2Very high1 Ų127.2 Ų27.21%0.00717%0.166CC..  trans-60.8132.2179.6-179.90000111.1N257 P258 I262N257-S260 WeakPolarHBondContact O-CB 3.45Å; N257-S260 PolarHBondContact O-N 3.45Å; N257-S260 PolarHBondContact OD1-N 2.88Å; P258-S260 VanDerWaalsContact C-N 3.34Å; S260-I262 WeakPolarHBondContact OG-CG1 3.43Å; S260-I262 PolarHBondContact OG-N 2.84Å
261V92.3Very high94.1Very high26 Ų2630.8 Ų30.816%0.15819%0.19CC..  trans-107.611.1176.7-62.80000112.1S230 L232 E233 A259 H263 K289S230-V261 WeakPolarHBondContact O-CG2 3.47Å; L232-V261 WeakPolarHBondContact O-CG2 3.38Å; E233-V261 HydrophobicContact CG-CG2 3.83Å; A259-V261 PolarHBondContact O-N 3.05Å; V261-H263 PolarHBondContact O-N 2.86Å; V261-K289 HydrophobicContact CB-CG 4.15Å; V261-K289 HydrophobicContact CG1-CG 4.43Å
262I94.1Very high94.1Very high3 Ų330.8 Ų30.82%0.01519%0.19CC..  trans-60.5125.5-178.6-66169.7000109.9V226 L232 E233 I235 L254 S260 I265 L287V226-I262 HydrophobicContact CG1-CD1 4.03Å; V226-I262 HydrophobicContact CG2-CD1 4.28Å; L232-I262 HydrophobicContact CD2-CD1 4.35Å; L232-I262 HydrophobicContact CG-CG1 4.45Å; L232-I262 WeakPolarHBondContact O-CG1 3.44Å; L232-I262 PolarHBondContact O-N 3.05Å; E233-I262 WeakPolarHBondContact O-CA 3.46Å; I235-I262 HydrophobicContact CD1-CD1 3.71Å; L254-I262 HydrophobicContact CD2-CD1 3.83Å; S260-I262 WeakPolarHBondContact OG-CG1 3.43Å; S260-I262 PolarHBondContact OG-N 2.84Å; I262-I265 HydrophobicContact CG2-CD1 4.13Å; I262-I265 HydrophobicContact CG2-CG1 3.84Å; I262-L287 HydrophobicContact CB-CD1 4.45Å; I262-L287 WeakPolarHBondContact O-CD1 3.5Å
263H92.3Very high93.9Very high8 Ų830 Ų304%0.03718%0.183CC..  trans-133.8-3.8177.459.955.1000113.3E233 E234 V261 K289 G290 L291 R292 L293E233-H263 PolarHBondContact O-N 2.94Å; E234-H263 IonicContact OE1-CE1 3.97Å; V261-H263 PolarHBondContact O-N 2.86Å; H263-K289 HydrophobicContact CB-CB 4.32Å; H263-G290 WeakPolarHBondContact CB-O 3.4Å; H263-L291 WeakPolarHBondContact O-CD1 3.36Å; H263-R292 HydrophobicContact CB-CB 4.43Å; H263-R292 HydrophobicContact CB-CG 4.15Å; H263-R292 PolarHBondContact NE2-NH1 2.9Å; H263-R292 WeakPolarHBondContact O-CA 3.49Å; H263-R292 PolarHBondContact O-N 3.23Å; H263-L293 PolarHBondContact O-N 2.9Å
264S95.8Very high93.7Very high8 Ų831.4 Ų31.46%0.05619%0.19CC..EExtended strand (participates in β ladder)trans-131.7122.2176.9-56.10000110.7E233 E234 I235 L293E233-S264 PolarHBondContact O-N 3.3Å; E234-S264 WeakPolarHBondContact CA-O 3.41Å; I235-S264 PolarHBondContact N-O 2.93Å; S264-L293 WeakPolarHBondContact CA-O 3.42Å
265I96.9Very high93.6Very high1 Ų138.3 Ų38.31%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-130.3117.8-178.5-60.7174.3000109M250 I262 L267 V284 L293 L294 N295M250-I265 HydrophobicContact CE-CD1 3.93Å; M250-I265 HydrophobicContact CE-CG1 4.19Å; M250-I265 HydrophobicContact CE-CG2 4.39Å; I262-I265 HydrophobicContact CG2-CD1 4.13Å; I262-I265 HydrophobicContact CG2-CG1 3.84Å; I265-L267 HydrophobicContact CG2-CD1 4.08Å; I265-L267 HydrophobicContact CG2-CD2 4.44Å; I265-L267 HydrophobicContact CG2-CG 3.81Å; I265-V284 HydrophobicContact CD1-CG2 3.56Å; I265-L293 PolarHBondContact N-O 3.49Å; I265-L294 HydrophobicContact CB-CD1 4.42Å; I265-L294 WeakPolarHBondContact O-CA 3.26Å; I265-N295 PolarHBondContact O-N 2.89Å
266N98.1Very high93.6Very high17 Ų1735 Ų359%0.09120%0.199CC..EExtended strand (participates in β ladder)trans-119.8111.1171.1178.92.7000109.7I235 T236 L237 A268 L293 N295I235-N266 PolarHBondContact O-N 3.01Å; T236-N266 HydrophobicContact CG2-CB 4.1Å; L237-N266 PolarHBondContact N-O 3.33Å; N266-A268 WeakPolarHBondContact OD1-CB 3.04Å; N266-A268 PolarHBondContact OD1-N 3.41Å; N266-L293 HydrophobicContact CB-CD2 4.32Å; N266-N295 HydrophobicContact CB-CB 4.01Å
267L97.9Very high93.7Very high0 Ų029.7 Ų29.70%017%0.174CC..  trans-118.621.8176.3-57.4177.1000111.7L237 L242 F246 M250 I265 N270 L272 L280 N295 L296 T299L237-L267 HydrophobicContact CB-CD2 4.11Å; L237-L267 HydrophobicContact CD1-CD2 4.21Å; L242-L267 HydrophobicContact CD1-CD2 3.98Å; F246-L267 HydrophobicContact CD1-CD1 4.5Å; F246-L267 HydrophobicContact CD1-CD2 4.49Å; F246-L267 HydrophobicContact CE1-CD1 4.4Å; F246-L267 HydrophobicContact CE1-CD2 3.9Å; M250-L267 HydrophobicContact SD-CD1 4.5Å; I265-L267 HydrophobicContact CG2-CD1 4.08Å; I265-L267 HydrophobicContact CG2-CD2 4.44Å; I265-L267 HydrophobicContact CG2-CG 3.81Å; L267-N270 PolarHBondContact O-ND2 3.31Å; L267-L272 HydrophobicContact CB-CD1 3.94Å; L267-L272 HydrophobicContact CD1-CD1 4.15Å; L267-L280 HydrophobicContact CD1-CD2 3.9Å; L267-N295 PolarHBondContact N-O 2.94Å; L267-L296 HydrophobicContact CB-CD2 4.22Å; L267-T299 VanDerWaalsContact O-CG2 3.27Å; L267-T299 WeakPolarHBondContact O-CG2 3.3Å
268A97.9Very high93.8Very high1 Ų129.8 Ų29.81%0.00818%0.176CC..THydrogen-bonded Turntrans-55.1152.3-174.100000112.5E238 N239 N266 N270 S297E238-A268 CarbonylContact C-O 3.56Å; E238-A268 WeakPolarHBondContact CA-O 3.35Å; E238-A268 HydrophobicContact CG-CB 4.12Å; N239-A268 PolarHBondContact N-O 2.98Å; N266-A268 WeakPolarHBondContact OD1-CB 3.04Å; N266-A268 PolarHBondContact OD1-N 3.41Å; A268-N270 PolarHBondContact O-N 3.22Å; A268-N270 VanDerWaalsContact O-N 3.15Å; A268-N270 PolarHBondContact O-ND2 3.35Å; A268-N270 VanDerWaalsContact O-ND2 3.1Å; A268-S297 CarbonylContact C-O 3.6Å; A268-S297 VanDerWaalsContact CA-O 3.23Å; A268-S297 WeakPolarHBondContact CA-O 3.17Å
269H97.2Very high94.2Very high52 Ų5225.2 Ų25.224%0.24115%0.147CC..THydrogen-bonded Turntrans61.819176.2-70.8-132.1000115.1E238 N239 S297 K298E238-H269 HydrophobicContact CG-CB 4.43Å; N239-H269 HydrophobicContact CB-CB 3.78Å; H269-S297 PolarHBondContact N-O 2.9Å; H269-K298 WeakPolarHBondContact CA-O 3.42Å
270N97.1Very high94.6Very high3 Ų322.7 Ų22.72%0.01613%0.126CC..SBendtrans-107.5137168.8-62.4-79.1000110.3L237 A240 G241 L242 L267 A268 L272 T299L237-N270 PolarHBondContact O-ND2 3.01Å; A240-N270 PolarHBondContact N-OD1 3.1Å; A240-N270 VanDerWaalsContact N-OD1 3.12Å; G241-N270 PolarHBondContact N-OD1 3.24Å; L242-N270 HydrophobicContact CB-CB 4.12Å; L242-N270 HydrophobicContact CD1-CB 4.36Å; L242-N270 HydrophobicContact CG-CB 4.46Å; L242-N270 WeakPolarHBondContact CG-OD1 3.46Å; L242-N270 PolarHBondContact N-OD1 3.02Å; L242-N270 VanDerWaalsContact N-OD1 3.1Å; L267-N270 PolarHBondContact O-ND2 3.31Å; A268-N270 PolarHBondContact O-N 3.22Å; A268-N270 VanDerWaalsContact O-N 3.15Å; A268-N270 PolarHBondContact O-ND2 3.35Å; A268-N270 VanDerWaalsContact O-ND2 3.1Å; N270-L272 HydrophobicContact CB-CD2 3.8Å; N270-L272 HydrophobicContact CB-CG 4.17Å; N270-L272 WeakPolarHBondContact O-CG 3.49Å; N270-L272 PolarHBondContact O-N 3.19Å; N270-L272 VanDerWaalsContact O-N 3.14Å; N270-T299 CarbonylContact O-C 3.55Å; N270-T299 WeakPolarHBondContact O-CA 3.4Å; N270-T299 VanDerWaalsContact O-CB 3.26Å; N270-T299 WeakPolarHBondContact O-CB 3.26Å; N270-T299 WeakPolarHBondContact O-CG2 3.47Å
271S95.4Very high94.6Very high75 Ų7523.1 Ų23.152%0.52413%0.128SC..  trans-76.9105.8175.4-170.40000110S244 S300S244-S271 WeakPolarHBondContact CA-O 3.43Å; S271-S300 PolarHBondContact OG-OG 3.31Å
272L95.5Very high94.4Very high7 Ų726.1 Ų26.14%0.03714%0.14CC..  trans-109.4153.4-173.1-57.8-179.5000111.6P247 L267 N270 V277 L296 T299P247-L272 HydrophobicContact CG-CB 3.98Å; P247-L272 HydrophobicContact CG-CD1 3.76Å; P247-L272 HydrophobicContact CG-CD2 3.74Å; P247-L272 HydrophobicContact CG-CG 4Å; L267-L272 HydrophobicContact CB-CD1 3.94Å; L267-L272 HydrophobicContact CD1-CD1 4.15Å; N270-L272 HydrophobicContact CB-CD2 3.8Å; N270-L272 HydrophobicContact CB-CG 4.17Å; N270-L272 WeakPolarHBondContact O-CG 3.49Å; N270-L272 PolarHBondContact O-N 3.19Å; N270-L272 VanDerWaalsContact O-N 3.14Å; L272-V277 HydrophobicContact CB-CG2 3.84Å; L272-V277 HydrophobicContact CD1-CG2 4.02Å; L272-L296 HydrophobicContact CD1-CD2 4.39Å; L272-T299 HydrophobicContact CD1-CG2 3.88Å; L272-T299 HydrophobicContact CG-CG2 4.31Å; L272-T299 PolarHBondContact N-O 3.22Å
273D93Very high94.2Very high45 Ų4527.3 Ų27.324%0.24115%0.145CC..  trans-82.3139174.282.7-54.3000111.6S244 Q275 G276 V277S244-D273 PolarHBondContact O-N 2.91Å; D273-Q275 VanDerWaalsContact C-N 3.27Å; D273-Q275 PolarHBondContact O-N 2.89Å; D273-G276 VanDerWaalsContact CG-N 3.32Å; D273-G276 PolarHBondContact O-N 3.38Å; D273-G276 VanDerWaalsContact OD1-CA 3.31Å; D273-G276 WeakPolarHBondContact OD1-CA 3.42Å; D273-G276 PolarHBondContact OD1-N 3.06Å; D273-G276 PolarHBondContact OD2-N 3.06Å; D273-V277 WeakPolarHBondContact O-CG2 3.47Å; D273-V277 PolarHBondContact O-N 2.79Å; D273-V277 VanDerWaalsContact O-N 3.08Å
274N91.9Very high93.9Very high36 Ų3627.2 Ų27.219%0.19315%0.145CC..Hα-helixtrans-63-32.9-177.4-68.2-71.5000113.2S278 L301 T302 S303 V306N274-S278 WeakPolarHBondContact O-CB 3.42Å; N274-S278 PolarHBondContact O-N 3.34Å; N274-S278 PolarHBondContact O-OG 2.75Å; N274-L301 WeakPolarHBondContact OD1-CA 3.33Å; N274-T302 PolarHBondContact ND2-OG1 3Å; N274-T302 PolarHBondContact OD1-N 3.37Å; N274-S303 VanDerWaalsContact CB-CB 3.47Å; N274-S303 VanDerWaalsContact CG-CB 3.41Å; N274-S303 PolarHBondContact OD1-N 3.48Å; N274-V306 HydrophobicContact CB-CG2 4.08Å; N274-V306 WeakPolarHBondContact O-CG2 3.47Å
275Q92.4Very high93.2Very high147 Ų14728.2 Ų28.269%0.68715%0.152SC*.Hα-helixtrans-70.6-49.3-179.3-177.7176.7-1.900110.4D273 V277 S278 S279D273-Q275 VanDerWaalsContact C-N 3.27Å; D273-Q275 PolarHBondContact O-N 2.89Å; Q275-V277 VanDerWaalsContact C-N 3.31Å; Q275-V277 PolarHBondContact O-N 2.91Å; Q275-S278 WeakPolarHBondContact O-CB 3.28Å; Q275-S278 PolarHBondContact O-N 3.23Å; Q275-S278 VanDerWaalsContact O-N 3.16Å; Q275-S279 PolarHBondContact O-N 3.35Å; Q275-S279 PolarHBondContact O-OG 3.2Å
276G94.3Very high92.5Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-58.5-41.617500000112.8P247 D273 S278 S279 L280P247-G276 CarbonylContact C-O 3.59Å; D273-G276 VanDerWaalsContact CG-N 3.32Å; D273-G276 PolarHBondContact O-N 3.38Å; D273-G276 VanDerWaalsContact OD1-CA 3.31Å; D273-G276 WeakPolarHBondContact OD1-CA 3.42Å; D273-G276 PolarHBondContact OD1-N 3.06Å; D273-G276 PolarHBondContact OD2-N 3.06Å; G276-S278 VanDerWaalsContact C-N 3.34Å; G276-S278 PolarHBondContact O-N 2.89Å; G276-S279 PolarHBondContact O-N 3.08Å; G276-L280 WeakPolarHBondContact O-CB 3.38Å; G276-L280 PolarHBondContact O-N 3.12Å
277V94.5Very high91.6Very high1 Ų136.9 Ų36.91%0.00619%0.185CC..Hα-helixtrans-64.4-40176.31720000111.5P247 L272 D273 Q275 L280 I281 L296 L301 V306P247-V277 HydrophobicContact CB-CG2 3.96Å; P247-V277 HydrophobicContact CG-CG2 3.83Å; L272-V277 HydrophobicContact CB-CG2 3.84Å; L272-V277 HydrophobicContact CD1-CG2 4.02Å; D273-V277 WeakPolarHBondContact O-CG2 3.47Å; D273-V277 PolarHBondContact O-N 2.79Å; D273-V277 VanDerWaalsContact O-N 3.08Å; Q275-V277 VanDerWaalsContact C-N 3.31Å; Q275-V277 PolarHBondContact O-N 2.91Å; V277-L280 PolarHBondContact O-N 2.77Å; V277-I281 HydrophobicContact CG1-CD1 3.89Å; V277-I281 HydrophobicContact CG1-CG1 4.49Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 2.89Å; V277-L296 HydrophobicContact CG1-CD1 3.78Å; V277-L301 HydrophobicContact CB-CD2 4.1Å; V277-L301 HydrophobicContact CG1-CD2 4.02Å; V277-L301 HydrophobicContact CG2-CD2 3.99Å; V277-V306 HydrophobicContact CG1-CG1 3.83Å; V277-V306 HydrophobicContact CG1-CG2 4.42Å
278S91.9Very high90.7Very high12 Ų1241 Ų418%0.08421%0.214CC..Hα-helixtrans-62.4-44.2175-62.60000111.9N274 Q275 G276 L280 I281 Q282N274-S278 WeakPolarHBondContact O-CB 3.42Å; N274-S278 PolarHBondContact O-N 3.34Å; N274-S278 PolarHBondContact O-OG 2.75Å; Q275-S278 WeakPolarHBondContact O-CB 3.28Å; Q275-S278 PolarHBondContact O-N 3.23Å; Q275-S278 VanDerWaalsContact O-N 3.16Å; G276-S278 VanDerWaalsContact C-N 3.34Å; G276-S278 PolarHBondContact O-N 2.89Å; S278-L280 VanDerWaalsContact C-N 3.32Å; S278-L280 PolarHBondContact O-N 3.44Å; S278-I281 PolarHBondContact O-N 3.4Å; S278-Q282 WeakPolarHBondContact O-CG 3.29Å; S278-Q282 PolarHBondContact O-N 2.95Å
279S93.3Very high89.8Confident30 Ų3046.5 Ų46.521%0.2124%0.237CC..Hα-helixtrans-61-41.1174.7-62.50000112.1Q248 Q275 G276 Q282 Q283Q248-S279 PolarHBondContact OE1-OG 3.1Å; Q275-S279 PolarHBondContact O-N 3.35Å; Q275-S279 PolarHBondContact O-OG 3.2Å; G276-S279 PolarHBondContact O-N 3.08Å; S279-Q282 PolarHBondContact O-N 2.89Å; S279-Q283 PolarHBondContact O-N 3.19Å
280L93.9Very high89.1Confident4 Ų444.2 Ų44.22%0.02123%0.228CC..Hα-helixtrans-62.4-48.6177.2179.561.1000111.2P247 M250 A251 L254 L267 G276 V277 S278 Q282 Q283 V284P247-L280 HydrophobicContact CB-CB 4.29Å; P247-L280 HydrophobicContact CB-CD2 4.11Å; M250-L280 HydrophobicContact CB-CD1 4.2Å; M250-L280 HydrophobicContact CE-CD1 4.5Å; M250-L280 HydrophobicContact CG-CD1 3.89Å; M250-L280 HydrophobicContact SD-CD1 4.07Å; M250-L280 HydrophobicContact SD-CD2 4.19Å; A251-L280 HydrophobicContact CB-CB 4.37Å; L254-L280 HydrophobicContact CD1-CD1 3.69Å; L267-L280 HydrophobicContact CD1-CD2 3.9Å; G276-L280 WeakPolarHBondContact O-CB 3.38Å; G276-L280 PolarHBondContact O-N 3.12Å; V277-L280 PolarHBondContact O-N 2.77Å; S278-L280 VanDerWaalsContact C-N 3.32Å; S278-L280 PolarHBondContact O-N 3.44Å; L280-Q282 VanDerWaalsContact C-N 3.34Å; L280-Q282 PolarHBondContact O-N 3.43Å; L280-Q283 PolarHBondContact O-N 2.99Å; L280-Q283 VanDerWaalsContact O-N 3.14Å; L280-V284 HydrophobicContact CD1-CG2 3.94Å; L280-V284 HydrophobicContact CG-CG2 4.26Å; L280-V284 WeakPolarHBondContact O-CB 3.14Å; L280-V284 VanDerWaalsContact O-CG2 3.23Å; L280-V284 WeakPolarHBondContact O-CG2 3.28Å; L280-V284 PolarHBondContact O-N 3.47Å
281I90.4Very high88.7Confident10 Ų1044.5 Ų44.55%0.05123%0.229CC..Hα-helixtrans-58.9-44.9178.4-71.3166.8000111.2V277 S278 Q283 V284 S285 V306 N309 L310 A313V277-I281 HydrophobicContact CG1-CD1 3.89Å; V277-I281 HydrophobicContact CG1-CG1 4.49Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 2.89Å; S278-I281 PolarHBondContact O-N 3.4Å; I281-Q283 VanDerWaalsContact C-N 3.29Å; I281-Q283 PolarHBondContact O-N 2.76Å; I281-V284 PolarHBondContact O-N 3.42Å; I281-S285 PolarHBondContact O-N 3.28Å; I281-S285 VanDerWaalsContact O-N 3.09Å; I281-V306 HydrophobicContact CD1-CG1 3.84Å; I281-N309 HydrophobicContact CG2-CB 4.43Å; I281-L310 HydrophobicContact CD1-CB 4.29Å; I281-L310 HydrophobicContact CD1-CD1 4.32Å; I281-L310 HydrophobicContact CG2-CB 4.35Å; I281-L310 HydrophobicContact CG2-CD1 4.17Å; I281-A313 HydrophobicContact CG2-CB 3.68Å
282Q88.7Confident88.6Confident88 Ų8846.4 Ų46.441%0.41123%0.225SC..Hα-helixtrans-63.2-34.6177.2-74.2-177.90.300112.9S278 S279 L280 S285 N309S278-Q282 WeakPolarHBondContact O-CG 3.29Å; S278-Q282 PolarHBondContact O-N 2.95Å; S279-Q282 PolarHBondContact O-N 2.89Å; L280-Q282 VanDerWaalsContact C-N 3.34Å; L280-Q282 PolarHBondContact O-N 3.43Å; Q282-S285 PolarHBondContact O-OG 3.23Å; Q282-N309 PolarHBondContact NE2-OD1 2.93Å
283Q89.4Confident88.5Confident28 Ų2848.4 Ų48.413%0.13124%0.236CC..Hα-helixtrans-78.9-38.1179.4-173.756.916.700112A251 L254 S279 L280 I281 S285 R286A251-Q283 HydrophobicContact CB-CB 4.33Å; A251-Q283 WeakPolarHBondContact O-CG 3.33Å; L254-Q283 HydrophobicContact CB-CG 3.71Å; S279-Q283 PolarHBondContact O-N 3.19Å; L280-Q283 PolarHBondContact O-N 2.99Å; L280-Q283 VanDerWaalsContact O-N 3.14Å; I281-Q283 VanDerWaalsContact C-N 3.29Å; I281-Q283 PolarHBondContact O-N 2.76Å; Q283-S285 PolarHBondContact O-N 3.38Å; Q283-R286 WeakPolarHBondContact O-CB 3.44Å; Q283-R286 PolarHBondContact O-N 2.77Å; Q283-R286 VanDerWaalsContact O-N 3.09Å
284V86.7Confident88.6Confident7 Ų746.6 Ų46.64%0.04223%0.226CC..Hα-helixtrans-61.9-33.9175.7167.70000111.2L254 I265 L280 I281 R286 L287 L291 Y320L254-V284 HydrophobicContact CD1-CG2 3.88Å; I265-V284 HydrophobicContact CD1-CG2 3.56Å; L280-V284 HydrophobicContact CD1-CG2 3.94Å; L280-V284 HydrophobicContact CG-CG2 4.26Å; L280-V284 WeakPolarHBondContact O-CB 3.14Å; L280-V284 VanDerWaalsContact O-CG2 3.23Å; L280-V284 WeakPolarHBondContact O-CG2 3.28Å; L280-V284 PolarHBondContact O-N 3.47Å; I281-V284 PolarHBondContact O-N 3.42Å; V284-R286 PolarHBondContact O-N 3.01Å; V284-R286 VanDerWaalsContact O-N 3.13Å; V284-L287 HydrophobicContact CB-CD1 4.46Å; V284-L287 HydrophobicContact CG1-CD1 4.41Å; V284-L287 HydrophobicContact CG2-CD1 4.4Å; V284-L287 WeakPolarHBondContact O-CB 3.23Å; V284-L287 WeakPolarHBondContact O-CG 3.34Å; V284-L287 PolarHBondContact O-N 2.98Å; V284-L291 HydrophobicContact CG1-CB 3.94Å; V284-L291 HydrophobicContact CG1-CD1 3.69Å; V284-L291 HydrophobicContact CG1-CD2 3.82Å; V284-L291 HydrophobicContact CG1-CG 4.02Å; V284-Y320 PolarHBondContact O-OH 3.21Å
285S80.2Confident88.9Confident29 Ų2945.7 Ų45.720%0.20322%0.221CC..THydrogen-bonded Turntrans-67.2-10.1176.683.60000114.5I281 Q282 Q283 Y320I281-S285 PolarHBondContact O-N 3.28Å; I281-S285 VanDerWaalsContact O-N 3.09Å; Q282-S285 PolarHBondContact O-OG 3.23Å; Q283-S285 PolarHBondContact O-N 3.38Å; S285-Y320 WeakPolarHBondContact O-CE2 3.2Å
286R81.9Confident89.1Confident184 Ų18438.8 Ų38.869%0.69419%0.189SC*.THydrogen-bonded Turntrans-99.4-3.6178.2-62.7174.6178.1172.3-3.1112.9Q283 V284Q283-R286 WeakPolarHBondContact O-CB 3.44Å; Q283-R286 PolarHBondContact O-N 2.77Å; Q283-R286 VanDerWaalsContact O-N 3.09Å; V284-R286 PolarHBondContact O-N 3.01Å; V284-R286 VanDerWaalsContact O-N 3.13Å
287L80.7Confident89.2Confident16 Ų1639 Ų398%0.08419%0.19CC..SBendtrans-69161.9178.6-62177.8000110.6L254 I262 V284 Y320L254-L287 HydrophobicContact CD2-CD1 4.35Å; L254-L287 HydrophobicContact CD2-CD2 4.45Å; I262-L287 HydrophobicContact CB-CD1 4.45Å; I262-L287 WeakPolarHBondContact O-CD1 3.5Å; V284-L287 HydrophobicContact CB-CD1 4.46Å; V284-L287 HydrophobicContact CG1-CD1 4.41Å; V284-L287 HydrophobicContact CG2-CD1 4.4Å; V284-L287 WeakPolarHBondContact O-CB 3.23Å; V284-L287 WeakPolarHBondContact O-CG 3.34Å; V284-L287 PolarHBondContact O-N 2.98Å; L287-Y320 VanDerWaalsContact CA-OH 3.31Å; L287-Y320 WeakPolarHBondContact CA-OH 3.28Å; L287-Y320 WeakPolarHBondContact CB-OH 3.44Å; L287-Y320 PolarHBondContact N-OH 3.3Å; L287-Y320 PolarHBondContact O-OH 2.85Å
288S77.5Confident89.3Confident86 Ų8644.2 Ų44.260%0.60121%0.213SC*.SBendtrans-83.1-18.7-176600000113.9
289K80.4Confident89.5Confident116 Ų11643.6 Ų43.650%0.50421%0.209SC..SBendtrans-96.9-10.1-169.1-72.1-65.6-172.7177.40115.7V261 H263V261-K289 HydrophobicContact CB-CG 4.15Å; V261-K289 HydrophobicContact CG1-CG 4.43Å; H263-K289 HydrophobicContact CB-CB 4.32Å
290G82.9Confident89.5Confident5 Ų545.2 Ų45.25%0.05222%0.22CC..  trans74.9151.5-168.400000112H263 Y320 S323H263-G290 WeakPolarHBondContact CB-O 3.4Å; G290-Y320 VanDerWaalsContact CA-CE1 3.42Å; G290-S323 WeakPolarHBondContact CA-OG 3.36Å
291L88.1Confident89.2Confident8 Ų845 Ų454%0.04222%0.219CC..  trans-88.3118.1175.1-175.861.4000109H263 V284 L293 L294 Y320 S323 L324H263-L291 WeakPolarHBondContact O-CD1 3.36Å; V284-L291 HydrophobicContact CG1-CB 3.94Å; V284-L291 HydrophobicContact CG1-CD1 3.69Å; V284-L291 HydrophobicContact CG1-CD2 3.82Å; V284-L291 HydrophobicContact CG1-CG 4.02Å; L291-L293 WeakPolarHBondContact CD1-O 3.5Å; L291-L294 HydrophobicContact CD2-CB 3.84Å; L291-L294 HydrophobicContact CD2-CD1 4.39Å; L291-L294 HydrophobicContact CD2-CD2 4.05Å; L291-L294 HydrophobicContact CD2-CG 4.31Å; L291-L294 HydrophobicContact CG-CB 4.4Å; L291-Y320 HydrophobicContact CB-CE1 4.46Å; L291-S323 PolarHBondContact N-OG 3.21Å; L291-S323 CarbonylContact O-C 3.56Å; L291-S323 VanDerWaalsContact O-C 3.3Å; L291-S323 PolarHBondContact O-OG 3.4Å; L291-L324 HydrophobicContact CB-CD1 4.43Å; L291-L324 HydrophobicContact CD2-CD1 4.28Å; L291-L324 HydrophobicContact CG-CD1 3.97Å; L291-L324 WeakPolarHBondContact O-CA 3.5Å; L291-L324 WeakPolarHBondContact O-CB 3.35Å; L291-L324 WeakPolarHBondContact O-CD1 3.37Å; L291-L324 PolarHBondContact O-N 3.05Å; L291-L324 VanDerWaalsContact O-N 3.15Å
292R92.3Very high88.9Confident116 Ų11648.7 Ų48.744%0.43824%0.242SC..  trans-91.6-39.5178.3-67.4-179.9178.1174.5-5.6113.7H263 S323 L325 H326H263-R292 HydrophobicContact CB-CB 4.43Å; H263-R292 HydrophobicContact CB-CG 4.15Å; H263-R292 PolarHBondContact NE2-NH1 2.9Å; H263-R292 WeakPolarHBondContact O-CA 3.49Å; H263-R292 PolarHBondContact O-N 3.23Å; R292-S323 VanDerWaalsContact CA-O 3.31Å; R292-S323 WeakPolarHBondContact CA-O 3.47Å; R292-L325 PolarHBondContact O-N 3.48Å; R292-H326 PolarHBondContact O-N 3Å
293L95.2Very high88.5Confident49 Ų4946 Ų4626%0.25723%0.232SC..EExtended strand (participates in β ladder)trans-135.5127.1-179.3-177151.8000110.4H263 S264 I265 N266 L291 N295 H326H263-L293 PolarHBondContact O-N 2.9Å; S264-L293 WeakPolarHBondContact CA-O 3.42Å; I265-L293 PolarHBondContact N-O 3.49Å; N266-L293 HydrophobicContact CB-CD2 4.32Å; L291-L293 WeakPolarHBondContact CD1-O 3.5Å; L293-N295 HydrophobicContact CD2-CB 4.21Å; L293-H326 WeakPolarHBondContact CA-O 3.03Å; L293-H326 HydrophobicContact CB-CB 4.21Å; L293-H326 HydrophobicContact CD1-CB 3.97Å; L293-H326 HydrophobicContact CG-CB 3.88Å
294L95.1Very high87.8Confident6 Ų648.8 Ų48.83%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-128113.8169.1-174.861.1000109.4I265 L291 L296 L310 L324 H326 L327 D328I265-L294 HydrophobicContact CB-CD1 4.42Å; I265-L294 WeakPolarHBondContact O-CA 3.26Å; L291-L294 HydrophobicContact CD2-CB 3.84Å; L291-L294 HydrophobicContact CD2-CD1 4.39Å; L291-L294 HydrophobicContact CD2-CD2 4.05Å; L291-L294 HydrophobicContact CD2-CG 4.31Å; L291-L294 HydrophobicContact CG-CB 4.4Å; L294-L296 HydrophobicContact CD1-CD1 4.03Å; L294-L296 HydrophobicContact CD1-CD2 4.39Å; L294-L296 HydrophobicContact CD1-CG 3.95Å; L294-L296 HydrophobicContact CD2-CD1 4.05Å; L294-L296 HydrophobicContact CG-CD1 4.08Å; L294-L296 HydrophobicContact CG-CG 4.11Å; L294-L310 HydrophobicContact CD2-CD1 3.64Å; L294-L324 HydrophobicContact CB-CD1 4.44Å; L294-H326 PolarHBondContact N-O 3.25Å; L294-L327 HydrophobicContact CB-CD1 4.14Å; L294-L327 HydrophobicContact CD2-CD1 4.14Å; L294-L327 HydrophobicContact CG-CD1 4.39Å; L294-L327 WeakPolarHBondContact O-CA 3.34Å; L294-D328 PolarHBondContact O-N 3.2Å
295N97.4Very high87.4Confident17 Ų1752.7 Ų52.79%0.09127%0.265CS..EExtended strand (participates in β ladder)trans-117.5112.2171.8-170.6-13.4000110.3I265 N266 L267 L293 S297 D328I265-N295 PolarHBondContact O-N 2.89Å; N266-N295 HydrophobicContact CB-CB 4.01Å; L267-N295 PolarHBondContact N-O 2.94Å; L293-N295 HydrophobicContact CD2-CB 4.21Å; N295-S297 VanDerWaalsContact OD1-CB 3.26Å; N295-S297 WeakPolarHBondContact OD1-CB 3.18Å; N295-S297 PolarHBondContact OD1-N 3.4Å; N295-D328 HydrophobicContact CB-CB 4.27Å; N295-D328 PolarHBondContact ND2-OD2 3.49Å; N295-D328 PolarHBondContact OD1-OD2 3.06Å
296L96.4Very high87.5Confident2 Ų251.4 Ų51.41%0.0126%0.256CS..  trans-12333175.2-61.7172000110L267 L272 V277 L294 K298 T299 L301 D328 L329 N332L267-L296 HydrophobicContact CB-CD2 4.22Å; L272-L296 HydrophobicContact CD1-CD2 4.39Å; V277-L296 HydrophobicContact CG1-CD1 3.78Å; L294-L296 HydrophobicContact CD1-CD1 4.03Å; L294-L296 HydrophobicContact CD1-CD2 4.39Å; L294-L296 HydrophobicContact CD1-CG 3.95Å; L294-L296 HydrophobicContact CD2-CD1 4.05Å; L294-L296 HydrophobicContact CG-CD1 4.08Å; L294-L296 HydrophobicContact CG-CG 4.11Å; L296-K298 PolarHBondContact O-N 2.96Å; L296-T299 HydrophobicContact CB-CG2 4.37Å; L296-T299 PolarHBondContact O-OG1 3.4Å; L296-L301 HydrophobicContact CB-CD1 3.93Å; L296-L301 HydrophobicContact CD1-CD1 4.17Å; L296-D328 PolarHBondContact N-O 3.22Å; L296-L329 HydrophobicContact CB-CD2 4.21Å; L296-L329 HydrophobicContact CD1-CD2 4.37Å; L296-N332 PolarHBondContact O-ND2 2.85Å
297S97.3Very high87.5Confident4 Ų442.9 Ų42.93%0.02822%0.224CC..THydrogen-bonded Turntrans-61.2134.9177.5-178.60000111.2A268 H269 N295 T299 S330A268-S297 CarbonylContact C-O 3.6Å; A268-S297 VanDerWaalsContact CA-O 3.23Å; A268-S297 WeakPolarHBondContact CA-O 3.17Å; H269-S297 PolarHBondContact N-O 2.9Å; N295-S297 VanDerWaalsContact OD1-CB 3.26Å; N295-S297 WeakPolarHBondContact OD1-CB 3.18Å; N295-S297 PolarHBondContact OD1-N 3.4Å; S297-T299 VanDerWaalsContact C-N 3.28Å; S297-T299 PolarHBondContact O-N 2.67Å; S297-S330 CarbonylContact C-O 3.58Å; S297-S330 VanDerWaalsContact CA-O 3.24Å; S297-S330 WeakPolarHBondContact CA-O 3.49Å; S297-S330 VanDerWaalsContact CB-OG 3.3Å; S297-S330 WeakPolarHBondContact CB-OG 3.49Å; S297-S330 PolarHBondContact OG-O 2.91Å; S297-S330 PolarHBondContact OG-OG 3.49Å
298K96.6Very high87.6Confident111 Ų11147.8 Ų47.848%0.48325%0.245SC..THydrogen-bonded Turntrans53.343.8174.4-159.4-166.2177.9-175.40112.5H269 L296 S330 K331H269-K298 WeakPolarHBondContact CA-O 3.42Å; L296-K298 PolarHBondContact O-N 2.96Å; K298-S330 PolarHBondContact N-O 3.01Å; K298-K331 HydrophobicContact CB-CB 3.9Å; K298-K331 HydrophobicContact CB-CD 4.25Å; K298-K331 HydrophobicContact CG-CB 4.2Å
299T95.4Very high87.9Confident0 Ų045.1 Ų45.10%022%0.224CC..SBendtrans-10215.4179.459.80000114.7L267 N270 L272 L296 S297 L301 N332L267-T299 VanDerWaalsContact O-CG2 3.27Å; L267-T299 WeakPolarHBondContact O-CG2 3.3Å; N270-T299 CarbonylContact O-C 3.55Å; N270-T299 WeakPolarHBondContact O-CA 3.4Å; N270-T299 VanDerWaalsContact O-CB 3.26Å; N270-T299 WeakPolarHBondContact O-CB 3.26Å; N270-T299 WeakPolarHBondContact O-CG2 3.47Å; L272-T299 HydrophobicContact CD1-CG2 3.88Å; L272-T299 HydrophobicContact CG-CG2 4.31Å; L272-T299 PolarHBondContact N-O 3.22Å; L296-T299 HydrophobicContact CB-CG2 4.37Å; L296-T299 PolarHBondContact O-OG1 3.4Å; S297-T299 VanDerWaalsContact C-N 3.28Å; S297-T299 PolarHBondContact O-N 2.67Å; T299-L301 VanDerWaalsContact C-N 3.26Å; T299-L301 PolarHBondContact O-N 3.47Å; T299-L301 WeakPolarHBondContact OG1-CD1 3.38Å; T299-L301 VanDerWaalsContact OG1-CG 3.25Å; T299-L301 WeakPolarHBondContact OG1-CG 3.44Å; T299-N332 PolarHBondContact N-OD1 2.86Å
300S92.4Very high88.1Confident63 Ų6339.7 Ų39.744%0.44120%0.201SC..  trans62.528.9-178.2-52.30000113.7S271 T302 N332S271-S300 PolarHBondContact OG-OG 3.31Å; S300-T302 PolarHBondContact O-N 2.93Å; S300-N332 PolarHBondContact N-OD1 3.33Å; S300-N332 VanDerWaalsContact N-OD1 3.07Å
301L89.3Confident88.1Confident0 Ų040 Ų400%020%0.201CC..  trans-71.7129178-60.3171.5000110.3N274 V277 L296 T299 V306 N332 V335N274-L301 WeakPolarHBondContact OD1-CA 3.33Å; V277-L301 HydrophobicContact CB-CD2 4.1Å; V277-L301 HydrophobicContact CG1-CD2 4.02Å; V277-L301 HydrophobicContact CG2-CD2 3.99Å; L296-L301 HydrophobicContact CB-CD1 3.93Å; L296-L301 HydrophobicContact CD1-CD1 4.17Å; T299-L301 VanDerWaalsContact C-N 3.26Å; T299-L301 PolarHBondContact O-N 3.47Å; T299-L301 WeakPolarHBondContact OG1-CD1 3.38Å; T299-L301 VanDerWaalsContact OG1-CG 3.25Å; T299-L301 WeakPolarHBondContact OG1-CG 3.44Å; L301-V306 HydrophobicContact CD1-CG1 4.22Å; L301-V306 HydrophobicContact CD2-CG1 4.46Å; L301-V306 HydrophobicContact CD2-CG2 4.23Å; L301-N332 HydrophobicContact CB-CB 4.03Å; L301-N332 PolarHBondContact N-OD1 2.73Å; L301-V335 HydrophobicContact CB-CB 4.46Å; L301-V335 HydrophobicContact CB-CG2 3.9Å
302T83.8Confident87.7Confident88 Ų8843 Ų4354%0.5422%0.224SC..  trans-136.8-15.9-179.254.60000112.3N274 S300N274-T302 PolarHBondContact ND2-OG1 3Å; N274-T302 PolarHBondContact OD1-N 3.37Å; S300-T302 PolarHBondContact O-N 2.93Å
303S78.7Confident87.1Confident30 Ų3038 Ų3821%0.2121%0.206CC..  trans-83.1131.8-178.9-175.20000111.9N274 D305 V306N274-S303 VanDerWaalsContact CB-CB 3.47Å; N274-S303 VanDerWaalsContact CG-CB 3.41Å; N274-S303 PolarHBondContact OD1-N 3.48Å; S303-D305 PolarHBondContact O-N 3.27Å; S303-D305 WeakPolarHBondContact OG-CB 3.34Å; S303-D305 PolarHBondContact OG-N 3.44Å; S303-D305 VanDerWaalsContact OG-N 3.15Å; S303-V306 WeakPolarHBondContact O-CB 3.27Å; S303-V306 PolarHBondContact O-N 3.2Å
304K76Confident86.1Confident87 Ų8735.8 Ų35.838%0.37820%0.195SC..Hα-helixtrans-65.7-19.6171.3-62.3171.1170.6-1740112.9V306 T307 K308 S337 D340K304-V306 PolarHBondContact O-N 2.65Å; K304-T307 PolarHBondContact O-N 3.29Å; K304-T307 PolarHBondContact O-OG1 3.32Å; K304-K308 PolarHBondContact O-N 3.37Å; K304-K308 VanDerWaalsContact O-N 3.1Å; K304-S337 WeakPolarHBondContact CE-O 3.4Å; K304-D340 HydrophobicContact CD-CB 3.95Å; K304-D340 WeakPolarHBondContact CD-OD2 3.39Å; K304-D340 IonicContact NZ-OD2 3.92Å; K304-D340 PolarHBondContact NZ-OD2 2.97Å
305D78.9Confident84.9Confident90 Ų9038.1 Ų38.148%0.48122%0.221SC..Hα-helixtrans-65-29.9175.6-68.1-38.8000111.6S303 K308 N309S303-D305 PolarHBondContact O-N 3.27Å; S303-D305 WeakPolarHBondContact OG-CB 3.34Å; S303-D305 PolarHBondContact OG-N 3.44Å; S303-D305 VanDerWaalsContact OG-N 3.15Å; D305-K308 PolarHBondContact O-N 2.84Å; D305-N309 VanDerWaalsContact O-CB 3.28Å; D305-N309 WeakPolarHBondContact O-CB 3.39Å; D305-N309 PolarHBondContact O-N 3.42Å; D305-N309 PolarHBondContact O-ND2 2.89Å
306V81.9Confident83.4Confident2 Ų241.4 Ų41.41%0.01225%0.245CC..Hα-helixtrans-64.6-46.9179.4176.30000110.2N274 V277 I281 L301 S303 K304 N309 L310N274-V306 HydrophobicContact CB-CG2 4.08Å; N274-V306 WeakPolarHBondContact O-CG2 3.47Å; V277-V306 HydrophobicContact CG1-CG1 3.83Å; V277-V306 HydrophobicContact CG1-CG2 4.42Å; I281-V306 HydrophobicContact CD1-CG1 3.84Å; L301-V306 HydrophobicContact CD1-CG1 4.22Å; L301-V306 HydrophobicContact CD2-CG1 4.46Å; L301-V306 HydrophobicContact CD2-CG2 4.23Å; S303-V306 WeakPolarHBondContact O-CB 3.27Å; S303-V306 PolarHBondContact O-N 3.2Å; K304-V306 PolarHBondContact O-N 2.65Å; V306-N309 PolarHBondContact O-N 3.01Å; V306-L310 VanDerWaalsContact O-CB 3.28Å; V306-L310 WeakPolarHBondContact O-CB 3.39Å; V306-L310 PolarHBondContact O-N 3.04Å
307T81.5Confident81.5Confident4 Ų443.3 Ų43.33%0.02526%0.259CS..Hα-helixtrans-71.5-35.7179.654.50000111.8K304 L310 S311 V335 L336K304-T307 PolarHBondContact O-N 3.29Å; K304-T307 PolarHBondContact O-OG1 3.32Å; T307-L310 PolarHBondContact O-N 3.23Å; T307-S311 WeakPolarHBondContact O-CB 3.49Å; T307-S311 PolarHBondContact O-N 3.1Å; T307-S311 PolarHBondContact O-OG 2.74Å; T307-V335 HydrophobicContact CG2-CG2 3.9Å; T307-L336 HydrophobicContact CG2-CD2 3.8Å
308K83.2Confident79.6Confident119 Ų11950.1 Ų50.152%0.51730%0.295SS..Hα-helixtrans-62.1-48.5172-178.4-179.5175.4-176.20112K304 D305 L310 S311 S312K304-K308 PolarHBondContact O-N 3.37Å; K304-K308 VanDerWaalsContact O-N 3.1Å; D305-K308 PolarHBondContact O-N 2.84Å; K308-L310 VanDerWaalsContact C-N 3.34Å; K308-S311 PolarHBondContact O-N 2.93Å; K308-S312 WeakPolarHBondContact O-CB 3.44Å; K308-S312 PolarHBondContact O-N 3.33Å
309N83.7Confident77.7Confident31 Ų3152 Ų5217%0.16631%0.305CS..Hα-helixtrans-65-39.2177.5-77.5-58.4000111.4I281 Q282 D305 V306 S312 A313I281-N309 HydrophobicContact CG2-CB 4.43Å; Q282-N309 PolarHBondContact NE2-OD1 2.93Å; D305-N309 VanDerWaalsContact O-CB 3.28Å; D305-N309 WeakPolarHBondContact O-CB 3.39Å; D305-N309 PolarHBondContact O-N 3.42Å; D305-N309 PolarHBondContact O-ND2 2.89Å; V306-N309 PolarHBondContact O-N 3.01Å; N309-S312 PolarHBondContact O-N 2.86Å; N309-A313 WeakPolarHBondContact O-CB 3.46Å; N309-A313 PolarHBondContact O-N 2.9Å
310L84.1Confident75.9Confident2 Ų252.6 Ų52.61%0.0131%0.307CS..Hα-helixtrans-59.5-47.9173.5-173.864.3000111.4I281 L294 V306 T307 K308 S312 A313 L314 L327 L329 F344I281-L310 HydrophobicContact CD1-CB 4.29Å; I281-L310 HydrophobicContact CD1-CD1 4.32Å; I281-L310 HydrophobicContact CG2-CB 4.35Å; I281-L310 HydrophobicContact CG2-CD1 4.17Å; L294-L310 HydrophobicContact CD2-CD1 3.64Å; V306-L310 VanDerWaalsContact O-CB 3.28Å; V306-L310 WeakPolarHBondContact O-CB 3.39Å; V306-L310 PolarHBondContact O-N 3.04Å; T307-L310 PolarHBondContact O-N 3.23Å; K308-L310 VanDerWaalsContact C-N 3.34Å; L310-S312 VanDerWaalsContact C-N 3.35Å; L310-S312 PolarHBondContact O-N 2.76Å; L310-A313 PolarHBondContact O-N 2.9Å; L310-L314 HydrophobicContact CD1-CD1 3.7Å; L310-L314 HydrophobicContact CD1-CG 4.16Å; L310-L314 HydrophobicContact CG-CD1 3.76Å; L310-L314 HydrophobicContact CG-CG 4.47Å; L310-L314 WeakPolarHBondContact O-CB 3.24Å; L310-L314 VanDerWaalsContact O-CG 3.23Å; L310-L314 WeakPolarHBondContact O-CG 3.14Å; L310-L314 PolarHBondContact O-N 3.15Å; L310-L327 HydrophobicContact CD2-CD1 4.14Å; L310-L327 HydrophobicContact CD2-CD2 4.28Å; L310-L329 HydrophobicContact CD2-CD1 4.03Å; L310-F344 HydrophobicContact CD2-CD2 4.42Å; L310-F344 HydrophobicContact CD2-CE2 4.09Å
311S82.5Confident74.3Confident10 Ų1050.4 Ų50.47%0.0729%0.292CS..Hα-helixtrans-63.5-41.5179.1-510000111.9T307 K308 G315 N343 F344T307-S311 WeakPolarHBondContact O-CB 3.49Å; T307-S311 PolarHBondContact O-N 3.1Å; T307-S311 PolarHBondContact O-OG 2.74Å; K308-S311 PolarHBondContact O-N 2.93Å; S311-G315 WeakPolarHBondContact O-CA 3.37Å; S311-G315 PolarHBondContact O-N 3.22Å; S311-N343 VanDerWaalsContact CB-O 3.32Å; S311-N343 WeakPolarHBondContact CB-O 3.42Å; S311-N343 PolarHBondContact OG-O 3.32Å; S311-F344 WeakPolarHBondContact OG-CA 3.43Å; S311-F344 PolarHBondContact OG-N 2.91Å
312S80.7Confident73.3Confident73 Ų7355 Ų5551%0.5132%0.317SS..Hα-helixtrans-66.7-41.8175.5-175.70000111.9K308 N309 L310 S316K308-S312 WeakPolarHBondContact O-CB 3.44Å; K308-S312 PolarHBondContact O-N 3.33Å; N309-S312 PolarHBondContact O-N 2.86Å; L310-S312 VanDerWaalsContact C-N 3.35Å; L310-S312 PolarHBondContact O-N 2.76Å; S312-S316 WeakPolarHBondContact O-CB 3.21Å; S312-S316 PolarHBondContact O-N 3.15Å; S312-S316 VanDerWaalsContact O-N 3.17Å; S312-S316 PolarHBondContact O-OG 3.28Å
313A78.5Confident73.4Confident9 Ų951.5 Ų51.57%0.07430%0.296CS..Hα-helixtrans-62.7-43.8178.600000111.1I281 N309 L310 S316I281-A313 HydrophobicContact CG2-CB 3.68Å; N309-A313 WeakPolarHBondContact O-CB 3.46Å; N309-A313 PolarHBondContact O-N 2.9Å; L310-A313 PolarHBondContact O-N 2.9Å; A313-S316 PolarHBondContact O-OG 3.48Å
314L74.3Confident74Confident3 Ų350.1 Ų50.12%0.01629%0.286CS..Hα-helixtrans-82-24.5-178-61.8173.2000113.3L310 S321 L324 F347L310-L314 HydrophobicContact CD1-CD1 3.7Å; L310-L314 HydrophobicContact CD1-CG 4.16Å; L310-L314 HydrophobicContact CG-CD1 3.76Å; L310-L314 HydrophobicContact CG-CG 4.47Å; L310-L314 WeakPolarHBondContact O-CB 3.24Å; L310-L314 VanDerWaalsContact O-CG 3.23Å; L310-L314 WeakPolarHBondContact O-CG 3.14Å; L310-L314 PolarHBondContact O-N 3.15Å; L314-S321 WeakPolarHBondContact O-CB 3.31Å; L314-S321 PolarHBondContact O-N 3.22Å; L314-L324 HydrophobicContact CD1-CD2 3.58Å; L314-L324 HydrophobicContact CD2-CB 4.37Å; L314-L324 HydrophobicContact CD2-CD2 3.9Å; L314-L324 HydrophobicContact CG-CD2 4.41Å; L314-F347 HydrophobicContact CB-CD2 3.55Å; L314-F347 HydrophobicContact CB-CE2 3.53Å; L314-F347 HydrophobicContact CB-CG 4.26Å; L314-F347 HydrophobicContact CB-CZ 4.21Å; L314-F347 HydrophobicContact CD1-CD1 4.16Å; L314-F347 HydrophobicContact CD1-CD2 4.18Å; L314-F347 HydrophobicContact CD1-CE1 3.75Å; L314-F347 HydrophobicContact CD1-CE2 3.79Å; L314-F347 HydrophobicContact CD1-CG 4.36Å; L314-F347 HydrophobicContact CD1-CZ 3.56Å; L314-F347 HydrophobicContact CG-CE2 4.22Å; L314-F347 HydrophobicContact CG-CZ 4.44Å
315G70.1Confident74.8Confident56 Ų5649.7 Ų49.758%0.57729%0.288SS*.Hα-helixtrans-95.1-4.6-17900000115.7S311S311-G315 WeakPolarHBondContact O-CA 3.37Å; S311-G315 PolarHBondContact O-N 3.22Å
316S65.3Low75.7Confident85 Ų8547.3 Ų47.359%0.59427%0.274SS*.SBendtrans-94.2-6.6-173.4540000115.5S312 A313S312-S316 WeakPolarHBondContact O-CB 3.21Å; S312-S316 PolarHBondContact O-N 3.15Å; S312-S316 VanDerWaalsContact O-N 3.17Å; S312-S316 PolarHBondContact O-OG 3.28Å; A313-S316 PolarHBondContact O-OG 3.48Å
317S57.6Low76.3Confident43 Ų4347.2 Ų47.230%0.30127%0.273SS..  trans-143.7128.3178.4176.10000110.9E319 Y320 S321S317-E319 PolarHBondContact O-N 3.42Å; S317-E319 VanDerWaalsContact O-N 3.15Å; S317-Y320 PolarHBondContact O-N 2.87Å; S317-S321 PolarHBondContact O-N 3.09Å
318D57.4Low77.1Confident147 Ų14747.8 Ų47.879%0.78628%0.276SS*.THydrogen-bonded Turntrans-59.3-22.6179.5-68.6-32.4000113.1N322D318-N322 PolarHBondContact O-ND2 3.11Å
319E56.5Low77.6Confident150 Ų15042.2 Ų42.270%0.70125%0.252SS*.THydrogen-bonded Turntrans-80.3-27.7175.5-69.5-175.4161.400112.8S317S317-E319 PolarHBondContact O-N 3.42Å; S317-E319 VanDerWaalsContact O-N 3.15Å
320Y58.1Low78.2Confident12 Ų1240.9 Ų40.95%0.04725%0.245CC..THydrogen-bonded Turntrans-84.6-42.3-172.9-96.4-94.6000113.6V284 S285 L287 G290 L291 S317 N322 S323V284-Y320 PolarHBondContact O-OH 3.21Å; S285-Y320 WeakPolarHBondContact O-CE2 3.2Å; L287-Y320 VanDerWaalsContact CA-OH 3.31Å; L287-Y320 WeakPolarHBondContact CA-OH 3.28Å; L287-Y320 WeakPolarHBondContact CB-OH 3.44Å; L287-Y320 PolarHBondContact N-OH 3.3Å; L287-Y320 PolarHBondContact O-OH 2.85Å; G290-Y320 VanDerWaalsContact CA-CE1 3.42Å; L291-Y320 HydrophobicContact CB-CE1 4.46Å; S317-Y320 PolarHBondContact O-N 2.87Å; Y320-N322 PolarHBondContact O-N 3.33Å; Y320-N322 VanDerWaalsContact O-N 3.14Å; Y320-S323 PolarHBondContact O-N 3.45Å; Y320-S323 PolarHBondContact O-OG 3.23Å
321S59.1Low78.8Confident17 Ų1745.6 Ų45.612%0.11927%0.266CS..THydrogen-bonded Turntrans-56.7-27.2174.851.10000112.3L314 S317L314-S321 WeakPolarHBondContact O-CB 3.31Å; L314-S321 PolarHBondContact O-N 3.22Å; S317-S321 PolarHBondContact O-N 3.09Å
322N67.9Low79.3Confident96 Ų9645.1 Ų45.151%0.51326%0.262SS..THydrogen-bonded Turntrans-98.38.7178.4-65.4-47.1000114.3D318 Y320 C353D318-N322 PolarHBondContact O-ND2 3.11Å; Y320-N322 PolarHBondContact O-N 3.33Å; Y320-N322 VanDerWaalsContact O-N 3.14Å; N322-C353 PolarHBondContact O-SG 2.86Å
323S85.5Confident79.8Confident16 Ų1645.4 Ų45.411%0.11226%0.262CS..THydrogen-bonded Turntrans-104.8-29177.668.50000113.5G290 L291 R292 Y320 L325G290-S323 WeakPolarHBondContact CA-OG 3.36Å; L291-S323 PolarHBondContact N-OG 3.21Å; L291-S323 CarbonylContact O-C 3.56Å; L291-S323 VanDerWaalsContact O-C 3.3Å; L291-S323 PolarHBondContact O-OG 3.4Å; R292-S323 VanDerWaalsContact CA-O 3.31Å; R292-S323 WeakPolarHBondContact CA-O 3.47Å; Y320-S323 PolarHBondContact O-N 3.45Å; Y320-S323 PolarHBondContact O-OG 3.23Å; S323-L325 PolarHBondContact O-N 3.22Å
324L90.4Very high80.3Confident1 Ų145.8 Ų45.81%0.00527%0.267CS..  trans-78.5112.7-173.2-169.969.5000111.6L291 L294 L314 L327 F347 C353 L354L291-L324 HydrophobicContact CB-CD1 4.43Å; L291-L324 HydrophobicContact CD2-CD1 4.28Å; L291-L324 HydrophobicContact CG-CD1 3.97Å; L291-L324 WeakPolarHBondContact O-CA 3.5Å; L291-L324 WeakPolarHBondContact O-CB 3.35Å; L291-L324 WeakPolarHBondContact O-CD1 3.37Å; L291-L324 PolarHBondContact O-N 3.05Å; L291-L324 VanDerWaalsContact O-N 3.15Å; L294-L324 HydrophobicContact CB-CD1 4.44Å; L314-L324 HydrophobicContact CD1-CD2 3.58Å; L314-L324 HydrophobicContact CD2-CB 4.37Å; L314-L324 HydrophobicContact CD2-CD2 3.9Å; L314-L324 HydrophobicContact CG-CD2 4.41Å; L324-L327 HydrophobicContact CD2-CB 4.23Å; L324-F347 HydrophobicContact CD2-CZ 4.21Å; L324-C353 CarbonylContact O-C 3.44Å; L324-C353 PolarHBondContact O-SG 3.43Å; L324-L354 HydrophobicContact CB-CD2 4.34Å; L324-L354 HydrophobicContact CD2-CD2 3.91Å; L324-L354 HydrophobicContact CG-CD2 3.8Å; L324-L354 WeakPolarHBondContact O-CD2 3.44Å; L324-L354 PolarHBondContact O-N 2.68Å
325L94.3Very high80.9Confident77 Ų7745.7 Ų45.740%0.40327%0.267SS..  trans-99.1-34.9179.9-57.5177.1000111.9R292 S323 C353 V355 H356R292-L325 PolarHBondContact O-N 3.48Å; S323-L325 PolarHBondContact O-N 3.22Å; L325-C353 HydrophobicContact CD2-CB 4.07Å; L325-C353 WeakPolarHBondContact CD2-O 3.37Å; L325-V355 HydrophobicContact CD2-CG2 4.3Å; L325-V355 PolarHBondContact O-N 3.31Å; L325-H356 PolarHBondContact O-N 3.41Å
326H96.5Very high81.8Confident41 Ų4143.2 Ų43.219%0.1924%0.24CC..EExtended strand (participates in β ladder)trans-132.4118.1-172.9-176.4-64.2000111.6R292 L293 L294 H356R292-H326 PolarHBondContact O-N 3Å; L293-H326 WeakPolarHBondContact CA-O 3.03Å; L293-H326 HydrophobicContact CB-CB 4.21Å; L293-H326 HydrophobicContact CD1-CB 3.97Å; L293-H326 HydrophobicContact CG-CB 3.88Å; L294-H326 PolarHBondContact N-O 3.25Å; H326-H356 HydrophobicContact CB-CB 4.27Å; H326-H356 VanDerWaalsContact CD2-CB 3.5Å; H326-H356 WeakPolarHBondContact CD2-CB 3.33Å; H326-H356 AromaticContact CD2-CD2 3.87Å; H326-H356 AromaticContact CD2-CE1 3.99Å; H326-H356 AromaticContact CD2-CG 3.35Å; H326-H356 AromaticContact CD2-ND1 3.45Å; H326-H356 PolarHBondContact CD2-ND1 3.26Å; H326-H356 AromaticContact CE1-CE1 3.77Å; H326-H356 AromaticContact CE1-ND1 3.57Å; H326-H356 AromaticContact CG-ND1 3.96Å; H326-H356 AromaticContact NE2-CD2 3.8Å; H326-H356 AromaticContact NE2-CE1 3.32Å; H326-H356 PolarHBondContact NE2-CE1 3.24Å; H326-H356 VanDerWaalsContact NE2-CE1 3.32Å; H326-H356 AromaticContact NE2-CG 3.51Å; H326-H356 AromaticContact NE2-ND1 3.2Å; H326-H356 PolarHBondContact NE2-ND1 3.2Å; H326-H356 AromaticContact NE2-NE2 3.7Å
327L95.3Very high82.6Confident0 Ų041.3 Ų41.30%023%0.227CC..EExtended strand (participates in β ladder)trans-124.4121.2174.2-178.761.6000110.5L294 L310 L324 L329 F344 L354 H356 L357 D358L294-L327 HydrophobicContact CB-CD1 4.14Å; L294-L327 HydrophobicContact CD2-CD1 4.14Å; L294-L327 HydrophobicContact CG-CD1 4.39Å; L294-L327 WeakPolarHBondContact O-CA 3.34Å; L310-L327 HydrophobicContact CD2-CD1 4.14Å; L310-L327 HydrophobicContact CD2-CD2 4.28Å; L324-L327 HydrophobicContact CD2-CB 4.23Å; L327-L329 HydrophobicContact CD1-CD1 4.45Å; L327-L329 HydrophobicContact CD1-CD2 4.15Å; L327-L329 HydrophobicContact CD1-CG 4.01Å; L327-L329 HydrophobicContact CD2-CD1 4.41Å; L327-L329 HydrophobicContact CG-CG 4.24Å; L327-F344 HydrophobicContact CD2-CE2 3.7Å; L327-F344 HydrophobicContact CD2-CZ 3.77Å; L327-L354 HydrophobicContact CB-CD2 4.05Å; L327-H356 PolarHBondContact N-O 3.14Å; L327-L357 HydrophobicContact CB-CD1 4.2Å; L327-L357 HydrophobicContact CD2-CD1 4.03Å; L327-L357 HydrophobicContact CG-CD1 4.28Å; L327-L357 WeakPolarHBondContact O-CA 3.43Å; L327-D358 PolarHBondContact O-N 3.1Å
328D97.2Very high83.3Confident16 Ų1642 Ų429%0.08624%0.24CC..EExtended strand (participates in β ladder)trans-127.2112.4174.1-177.4-4.6000109.7L294 N295 L296 S330 D358L294-D328 PolarHBondContact O-N 3.2Å; N295-D328 HydrophobicContact CB-CB 4.27Å; N295-D328 PolarHBondContact ND2-OD2 3.49Å; N295-D328 PolarHBondContact OD1-OD2 3.06Å; L296-D328 PolarHBondContact N-O 3.22Å; D328-S330 WeakPolarHBondContact OD1-CB 3.48Å; D328-S330 PolarHBondContact OD1-N 3.44Å; D328-S330 PolarHBondContact OD1-OG 2.8Å; D328-D358 HydrophobicContact CB-CB 4.3Å
329L95.2Very high83.3Confident2 Ų242.5 Ų42.51%0.0124%0.238CC..  trans-114.812.6175-62.2178.7000111.5L296 L310 L327 N332 F344 D358 L359 T362L296-L329 HydrophobicContact CB-CD2 4.21Å; L296-L329 HydrophobicContact CD1-CD2 4.37Å; L310-L329 HydrophobicContact CD2-CD1 4.03Å; L327-L329 HydrophobicContact CD1-CD1 4.45Å; L327-L329 HydrophobicContact CD1-CD2 4.15Å; L327-L329 HydrophobicContact CD1-CG 4.01Å; L327-L329 HydrophobicContact CD2-CD1 4.41Å; L327-L329 HydrophobicContact CG-CG 4.24Å; L329-N332 PolarHBondContact O-ND2 2.69Å; L329-F344 HydrophobicContact CD1-CE2 4.24Å; L329-F344 HydrophobicContact CD1-CZ 4.29Å; L329-D358 PolarHBondContact N-O 3.27Å; L329-L359 HydrophobicContact CB-CD2 4.14Å; L329-L359 HydrophobicContact CD1-CD2 4.26Å; L329-L359 HydrophobicContact CG-CD2 4.5Å; L329-T362 VanDerWaalsContact O-CG2 3.23Å; L329-T362 WeakPolarHBondContact O-CG2 3.31Å
330S96.7Very high83.4Confident3 Ų339.6 Ų39.62%0.02123%0.227CC..THydrogen-bonded Turntrans-59.7158-169.862.50000113.7S297 K298 D328 N332 D358 S360S297-S330 CarbonylContact C-O 3.58Å; S297-S330 VanDerWaalsContact CA-O 3.24Å; S297-S330 WeakPolarHBondContact CA-O 3.49Å; S297-S330 VanDerWaalsContact CB-OG 3.3Å; S297-S330 WeakPolarHBondContact CB-OG 3.49Å; S297-S330 PolarHBondContact OG-O 2.91Å; S297-S330 PolarHBondContact OG-OG 3.49Å; K298-S330 PolarHBondContact N-O 3.01Å; D328-S330 WeakPolarHBondContact OD1-CB 3.48Å; D328-S330 PolarHBondContact OD1-N 3.44Å; D328-S330 PolarHBondContact OD1-OG 2.8Å; S330-N332 PolarHBondContact O-N 2.92Å; S330-N332 VanDerWaalsContact O-N 3.15Å; S330-N332 PolarHBondContact O-ND2 3.12Å; S330-D358 VanDerWaalsContact CB-OD1 3.29Å; S330-D358 WeakPolarHBondContact CB-OD1 3.41Å; S330-S360 CarbonylContact C-O 3.4Å; S330-S360 WeakPolarHBondContact CA-O 3.34Å; S330-S360 WeakPolarHBondContact CB-O 3.42Å; S330-S360 WeakPolarHBondContact CB-OG 3.3Å
331K95.5Very high84.1Confident101 Ų10139.2 Ų39.244%0.43923%0.227SC..THydrogen-bonded Turntrans57.729.9175.3-54.2168.9-172.6157.50113.7K298 P333 S360K298-K331 HydrophobicContact CB-CB 3.9Å; K298-K331 HydrophobicContact CB-CD 4.25Å; K298-K331 HydrophobicContact CG-CB 4.2Å; K331-P333 WeakPolarHBondContact O-CD 3.48Å; K331-S360 PolarHBondContact N-O 2.8Å
332N94.1Very high84.9Confident0 Ų042 Ų420%025%0.246CC..  trans-113.181.3170.1-70.1-61.9000108.8L296 T299 S300 L301 L329 S330 G334 V335 A361 T362L296-N332 PolarHBondContact O-ND2 2.85Å; T299-N332 PolarHBondContact N-OD1 2.86Å; S300-N332 PolarHBondContact N-OD1 3.33Å; S300-N332 VanDerWaalsContact N-OD1 3.07Å; L301-N332 HydrophobicContact CB-CB 4.03Å; L301-N332 PolarHBondContact N-OD1 2.73Å; L329-N332 PolarHBondContact O-ND2 2.69Å; S330-N332 PolarHBondContact O-N 2.92Å; S330-N332 VanDerWaalsContact O-N 3.15Å; S330-N332 PolarHBondContact O-ND2 3.12Å; N332-G334 PolarHBondContact O-N 3.18Å; N332-V335 HydrophobicContact CB-CB 4.07Å; N332-V335 HydrophobicContact CB-CG1 3.83Å; N332-V335 WeakPolarHBondContact O-CB 3.27Å; N332-V335 WeakPolarHBondContact O-CG1 3.17Å; N332-V335 PolarHBondContact O-N 3.03Å; N332-A361 CarbonylContact C-O 3.37Å; N332-A361 PolarHBondContact N-O 3.41Å; N332-T362 WeakPolarHBondContact O-CA 3.24Å
333P90.9Very high85.6Confident78 Ų7840.8 Ų40.851%0.50624%0.24SC..THydrogen-bonded Turntrans-60.9137.9-176.326-34.3000110.8K331 V335 D363K331-P333 WeakPolarHBondContact O-CD 3.48Å; P333-V335 VanDerWaalsContact C-N 3.32Å; P333-V335 PolarHBondContact O-N 3.15Å; P333-D363 WeakPolarHBondContact CA-OD2 3.48Å; P333-D363 WeakPolarHBondContact CB-OD2 3.46Å
334G87.8Confident85.6Confident17 Ų1740.1 Ų40.118%0.17523%0.234CC..THydrogen-bonded Turntrans85-15.4-179.400000115.8N332 L336 S337 D363N332-G334 PolarHBondContact O-N 3.18Å; G334-L336 VanDerWaalsContact C-N 3.25Å; G334-L336 PolarHBondContact O-N 3.03Å; G334-S337 WeakPolarHBondContact O-CB 3.28Å; G334-S337 PolarHBondContact O-N 2.52Å; G334-S337 VanDerWaalsContact O-N 3.08Å; G334-S337 PolarHBondContact O-OG 3.2Å; G334-D363 PolarHBondContact N-OD2 2.93Å
335V88.6Confident85.5Confident2 Ų241.4 Ų41.41%0.01224%0.24CC..THydrogen-bonded Turntrans-62.9-30-17476.40000113.3L301 T307 N332 P333 T362L301-V335 HydrophobicContact CB-CB 4.46Å; L301-V335 HydrophobicContact CB-CG2 3.9Å; T307-V335 HydrophobicContact CG2-CG2 3.9Å; N332-V335 HydrophobicContact CB-CB 4.07Å; N332-V335 HydrophobicContact CB-CG1 3.83Å; N332-V335 WeakPolarHBondContact O-CB 3.27Å; N332-V335 WeakPolarHBondContact O-CG1 3.17Å; N332-V335 PolarHBondContact O-N 3.03Å; P333-V335 VanDerWaalsContact C-N 3.32Å; P333-V335 PolarHBondContact O-N 3.15Å; V335-T362 HydrophobicContact CG1-CG2 3.94Å
336L87.5Confident85.2Confident3 Ų342.4 Ų42.42%0.01625%0.245CC..THydrogen-bonded Turntrans-113.121.3176.1-71.9175.1000112.9T307 G334 A341 F344 L359 T362 C364T307-L336 HydrophobicContact CG2-CD2 3.8Å; G334-L336 VanDerWaalsContact C-N 3.25Å; G334-L336 PolarHBondContact O-N 3.03Å; L336-A341 HydrophobicContact CD2-CB 4.27Å; L336-F344 HydrophobicContact CD1-CD1 4.31Å; L336-F344 HydrophobicContact CD1-CE1 4.13Å; L336-F344 HydrophobicContact CD2-CB 4.24Å; L336-F344 HydrophobicContact CD2-CD1 3.67Å; L336-F344 HydrophobicContact CD2-CE1 4.25Å; L336-F344 HydrophobicContact CD2-CG 4Å; L336-L359 HydrophobicContact CD1-CB 4.45Å; L336-L359 HydrophobicContact CD1-CD1 4.12Å; L336-L359 HydrophobicContact CD1-CD2 3.88Å; L336-L359 HydrophobicContact CD1-CG 4.38Å; L336-T362 PolarHBondContact N-O 3Å; L336-C364 HydrophobicContact CB-CB 3.57Å; L336-C364 HydrophobicContact CD1-CB 3.89Å; L336-C364 HydrophobicContact CG-CB 4.38Å
337S82.6Confident84.8Confident46 Ų4640.9 Ų40.932%0.32224%0.237SC..  trans-80.6135.5179.569.20000113K304 G334K304-S337 WeakPolarHBondContact CE-O 3.4Å; G334-S337 WeakPolarHBondContact O-CB 3.28Å; G334-S337 PolarHBondContact O-N 2.52Å; G334-S337 VanDerWaalsContact O-N 3.08Å; G334-S337 PolarHBondContact O-OG 3.2Å
338G71.2Confident84.5Confident56 Ų5640.9 Ų40.958%0.57724%0.237SC*.SBendtrans89.7-174.2172.500000116.3D340G338-D340 VanDerWaalsContact C-N 3.27Å; G338-D340 PolarHBondContact O-N 3.36Å
339E57.9Low84.2Confident158 Ų15840.8 Ų40.874%0.73824%0.238SC*.G310 helixtrans-72.3-14.9-174-62.8-167.815100114A341 S342E339-A341 VanDerWaalsContact C-N 3.28Å; E339-A341 PolarHBondContact O-N 3.05Å; E339-S342 PolarHBondContact O-N 3.37Å; E339-S342 PolarHBondContact O-OG 3.2Å
340D59.3Low83.9Confident90 Ų9045.1 Ų45.148%0.48126%0.258SS..G310 helixtrans-78.5-7.8-177.1-59.2-49.6000114K304 G338 S342K304-D340 HydrophobicContact CD-CB 3.95Å; K304-D340 WeakPolarHBondContact CD-OD2 3.39Å; K304-D340 IonicContact NZ-OD2 3.92Å; K304-D340 PolarHBondContact NZ-OD2 2.97Å; G338-D340 VanDerWaalsContact C-N 3.27Å; G338-D340 PolarHBondContact O-N 3.36Å; D340-S342 PolarHBondContact O-N 2.92Å; D340-S342 VanDerWaalsContact O-N 3.12Å
341A72.1Confident83.4Confident4 Ų449.3 Ų49.33%0.03329%0.285CS..G310 helixtrans-66.5-5.117000000113L336 E339 N343 F344 Y345L336-A341 HydrophobicContact CD2-CB 4.27Å; E339-A341 VanDerWaalsContact C-N 3.28Å; E339-A341 PolarHBondContact O-N 3.05Å; A341-N343 VanDerWaalsContact C-N 3.25Å; A341-N343 PolarHBondContact O-N 3.1Å; A341-F344 WeakPolarHBondContact O-CB 3.47Å; A341-F344 PolarHBondContact O-N 3.18Å; A341-Y345 HydrophobicContact CB-CD2 4.4Å; A341-Y345 HydrophobicContact CB-CE1 4.29Å; A341-Y345 HydrophobicContact CB-CE2 3.78Å; A341-Y345 PolarHBondContact O-N 3.09Å
342S77.3Confident83.1Confident74 Ų7444.9 Ų44.952%0.51727%0.266SS..Hα-helixtrans-52.5-37.8179.8-64.30000113.7E339 D340 F344 Y345 L346E339-S342 PolarHBondContact O-N 3.37Å; E339-S342 PolarHBondContact O-OG 3.2Å; D340-S342 PolarHBondContact O-N 2.92Å; D340-S342 VanDerWaalsContact O-N 3.12Å; S342-F344 VanDerWaalsContact C-N 3.35Å; S342-Y345 PolarHBondContact O-N 3.36Å; S342-L346 WeakPolarHBondContact O-CB 3.42Å; S342-L346 PolarHBondContact O-N 3.46Å
343N80.9Confident83Confident72 Ų7245.8 Ų45.839%0.38527%0.273SS..Hα-helixtrans-66.9-38.6177.3-67.6-48.2000111.9S311 A341 L346 F347S311-N343 VanDerWaalsContact CB-O 3.32Å; S311-N343 WeakPolarHBondContact CB-O 3.42Å; S311-N343 PolarHBondContact OG-O 3.32Å; A341-N343 VanDerWaalsContact C-N 3.25Å; A341-N343 PolarHBondContact O-N 3.1Å; N343-L346 WeakPolarHBondContact O-CB 3.46Å; N343-L346 PolarHBondContact O-N 3.45Å; N343-F347 PolarHBondContact O-N 2.89Å
344F87.5Confident83.1Confident1 Ų142.1 Ų42.10%0.00425%0.249CC..Hα-helixtrans-68.1-41.3178.5-176.2-108000111.1L310 S311 L327 L329 L336 A341 S342 L346 F347 L348 L359L310-F344 HydrophobicContact CD2-CD2 4.42Å; L310-F344 HydrophobicContact CD2-CE2 4.09Å; S311-F344 WeakPolarHBondContact OG-CA 3.43Å; S311-F344 PolarHBondContact OG-N 2.91Å; L327-F344 HydrophobicContact CD2-CE2 3.7Å; L327-F344 HydrophobicContact CD2-CZ 3.77Å; L329-F344 HydrophobicContact CD1-CE2 4.24Å; L329-F344 HydrophobicContact CD1-CZ 4.29Å; L336-F344 HydrophobicContact CD1-CD1 4.31Å; L336-F344 HydrophobicContact CD1-CE1 4.13Å; L336-F344 HydrophobicContact CD2-CB 4.24Å; L336-F344 HydrophobicContact CD2-CD1 3.67Å; L336-F344 HydrophobicContact CD2-CE1 4.25Å; L336-F344 HydrophobicContact CD2-CG 4Å; A341-F344 WeakPolarHBondContact O-CB 3.47Å; A341-F344 PolarHBondContact O-N 3.18Å; S342-F344 VanDerWaalsContact C-N 3.35Å; F344-L346 VanDerWaalsContact C-N 3.31Å; F344-L346 PolarHBondContact O-N 3.13Å; F344-F347 HydrophobicContact CD2-CD1 4.36Å; F344-F347 HydrophobicContact CE2-CD1 4.22Å; F344-F347 WeakPolarHBondContact O-CB 3.44Å; F344-F347 PolarHBondContact O-N 3.17Å; F344-L348 HydrophobicContact CD1-CD1 4.01Å; F344-L348 HydrophobicContact CE1-CD1 3.54Å; F344-L348 HydrophobicContact CE1-CG 4.23Å; F344-L348 HydrophobicContact CZ-CD1 4.02Å; F344-L348 HydrophobicContact CZ-CG 4.32Å; F344-L348 PolarHBondContact O-N 3.33Å; F344-L359 HydrophobicContact CE1-CD1 3.9Å; F344-L359 HydrophobicContact CE1-CD2 4.14Å; F344-L359 HydrophobicContact CZ-CD1 4.47Å; F344-L359 HydrophobicContact CZ-CD2 4.07Å
345Y88Confident83.5Confident29 Ų2943.8 Ų43.811%0.11426%0.256CS..Hα-helixtrans-66.5-32.8172.6-56.7-26.2000112.4A341 S342 L348 S349 L369 A372A341-Y345 HydrophobicContact CB-CD2 4.4Å; A341-Y345 HydrophobicContact CB-CE1 4.29Å; A341-Y345 HydrophobicContact CB-CE2 3.78Å; A341-Y345 PolarHBondContact O-N 3.09Å; S342-Y345 PolarHBondContact O-N 3.36Å; Y345-L348 PolarHBondContact O-N 3.06Å; Y345-S349 WeakPolarHBondContact O-CB 3.41Å; Y345-S349 PolarHBondContact O-N 3.49Å; Y345-S349 PolarHBondContact O-OG 3.24Å; Y345-L369 HydrophobicContact CD1-CD1 3.76Å; Y345-L369 HydrophobicContact CE1-CB 4.37Å; Y345-L369 HydrophobicContact CE1-CD1 3.72Å; Y345-A372 WeakPolarHBondContact O-CB 3.44Å
346L86.8Confident84Confident98 Ų9845.6 Ų45.651%0.51326%0.264SS..Hα-helixtrans-62.7-45.9173.4-178.265000110.7S342 N343 F344 S349 Q350S342-L346 WeakPolarHBondContact O-CB 3.42Å; S342-L346 PolarHBondContact O-N 3.46Å; N343-L346 WeakPolarHBondContact O-CB 3.46Å; N343-L346 PolarHBondContact O-N 3.45Å; F344-L346 VanDerWaalsContact C-N 3.31Å; F344-L346 PolarHBondContact O-N 3.13Å; L346-S349 PolarHBondContact O-N 3.09Å; L346-S349 VanDerWaalsContact O-N 3.15Å; L346-S349 PolarHBondContact O-OG 3.49Å; L346-Q350 PolarHBondContact O-N 2.82Å
347F87.6Confident84.4Confident8 Ų845.4 Ų45.44%0.03526%0.263CS..Hα-helixtrans-55.8-52.9173.2157.6-109.1000111.4L314 L324 N343 F344 S349 Q350 L354L314-F347 HydrophobicContact CB-CD2 3.55Å; L314-F347 HydrophobicContact CB-CE2 3.53Å; L314-F347 HydrophobicContact CB-CG 4.26Å; L314-F347 HydrophobicContact CB-CZ 4.21Å; L314-F347 HydrophobicContact CD1-CD1 4.16Å; L314-F347 HydrophobicContact CD1-CD2 4.18Å; L314-F347 HydrophobicContact CD1-CE1 3.75Å; L314-F347 HydrophobicContact CD1-CE2 3.79Å; L314-F347 HydrophobicContact CD1-CG 4.36Å; L314-F347 HydrophobicContact CD1-CZ 3.56Å; L314-F347 HydrophobicContact CG-CE2 4.22Å; L314-F347 HydrophobicContact CG-CZ 4.44Å; L324-F347 HydrophobicContact CD2-CZ 4.21Å; N343-F347 PolarHBondContact O-N 2.89Å; F344-F347 HydrophobicContact CD2-CD1 4.36Å; F344-F347 HydrophobicContact CE2-CD1 4.22Å; F344-F347 WeakPolarHBondContact O-CB 3.44Å; F344-F347 PolarHBondContact O-N 3.17Å; F347-S349 PolarHBondContact O-N 3.31Å; F347-S349 VanDerWaalsContact O-N 3.13Å; F347-Q350 PolarHBondContact O-N 3.36Å; F347-L354 HydrophobicContact CE1-CD1 3.89Å; F347-L354 HydrophobicContact CZ-CD1 3.88Å; F347-L354 HydrophobicContact CZ-CG 4.5Å
348L90.7Very high85.2Confident0 Ų044 Ų440%025%0.252CS..Hα-helixtrans-62.7-21.9179.4-69.3178.2000113.7F344 Y345 N352 L354 L357 L369 A372 L373 G376F344-L348 HydrophobicContact CD1-CD1 4.01Å; F344-L348 HydrophobicContact CE1-CD1 3.54Å; F344-L348 HydrophobicContact CE1-CG 4.23Å; F344-L348 HydrophobicContact CZ-CD1 4.02Å; F344-L348 HydrophobicContact CZ-CG 4.32Å; F344-L348 PolarHBondContact O-N 3.33Å; Y345-L348 PolarHBondContact O-N 3.06Å; L348-N352 PolarHBondContact O-ND2 2.92Å; L348-L354 HydrophobicContact CD2-CD1 3.49Å; L348-L354 VanDerWaalsContact CD2-CD1 3.49Å; L348-L357 HydrophobicContact CD1-CD2 4.31Å; L348-L357 HydrophobicContact CD2-CD2 4.2Å; L348-L369 HydrophobicContact CD1-CD1 3.39Å; L348-A372 HydrophobicContact CB-CB 3.83Å; L348-A372 VanDerWaalsContact O-O 3.12Å; L348-L373 HydrophobicContact CD1-CD2 4.24Å; L348-G376 VanDerWaalsContact O-CA 3.3Å; L348-G376 WeakPolarHBondContact O-CA 3.29Å
349S91Very high86.4Confident14 Ų1441.3 Ų41.310%0.09822%0.224CC..Hα-helixtrans-81.9-18177.275.40000114.1Y345 L346 F347 A372 R375Y345-S349 WeakPolarHBondContact O-CB 3.41Å; Y345-S349 PolarHBondContact O-N 3.49Å; Y345-S349 PolarHBondContact O-OG 3.24Å; L346-S349 PolarHBondContact O-N 3.09Å; L346-S349 VanDerWaalsContact O-N 3.15Å; L346-S349 PolarHBondContact O-OG 3.49Å; F347-S349 PolarHBondContact O-N 3.31Å; F347-S349 VanDerWaalsContact O-N 3.13Å; S349-A372 WeakPolarHBondContact CA-O 3.26Å; S349-R375 WeakPolarHBondContact O-CB 3.42Å
350Q88.4Confident88.2Confident94 Ų9434.1 Ų34.144%0.43919%0.191SC..SBendtrans-76.4147.2171.1-59.3-52.4-53.900109.5L346 F347 N352 G376L346-Q350 PolarHBondContact O-N 2.82Å; F347-Q350 PolarHBondContact O-N 3.36Å; Q350-N352 PolarHBondContact O-N 2.88Å; Q350-N352 PolarHBondContact O-ND2 3.41Å; Q350-G376 WeakPolarHBondContact O-CA 3.31Å
351P86.8Confident89.9Confident90 Ų9030.9 Ų30.958%0.58418%0.177SC*.  trans-51.1126.6170.3-24.934.6000110.4
352N88.9Confident90.9Very high8 Ų830.7 Ų30.74%0.04318%0.175CC..  trans-145.7164.2-178.761.178000109.9L348 Q350 L354 G376 C377L348-N352 PolarHBondContact O-ND2 2.92Å; Q350-N352 PolarHBondContact O-N 2.88Å; Q350-N352 PolarHBondContact O-ND2 3.41Å; N352-L354 VanDerWaalsContact OD1-CB 3.26Å; N352-L354 WeakPolarHBondContact OD1-CB 3.46Å; N352-L354 WeakPolarHBondContact OD1-CG 3.45Å; N352-L354 PolarHBondContact OD1-N 3.12Å; N352-G376 PolarHBondContact N-O 2.87Å; N352-G376 PolarHBondContact ND2-O 3.01Å; N352-C377 PolarHBondContact ND2-SG 2.97Å; N352-C377 PolarHBondContact OD1-SG 3.41Å; N352-C377 VanDerWaalsContact OD1-SG 3.37Å
353C90.8Very high91.5Very high19 Ų1930.6 Ų30.613%0.12817%0.169CC..  trans-101.524.7179.461.90000112.8N322 L324 L325 V355N322-C353 PolarHBondContact O-SG 2.86Å; L324-C353 CarbonylContact O-C 3.44Å; L324-C353 PolarHBondContact O-SG 3.43Å; L325-C353 HydrophobicContact CD2-CB 4.07Å; L325-C353 WeakPolarHBondContact CD2-O 3.37Å; C353-V355 PolarHBondContact O-N 3.14Å; C353-V355 VanDerWaalsContact O-N 3.14Å
354L93.6Very high91.9Very high1 Ų127.1 Ų27.11%0.00515%0.151CC..  trans-64119.9-178-76.8169.1000109.9L324 L327 F347 L348 N352 D380 L381L324-L354 HydrophobicContact CB-CD2 4.34Å; L324-L354 HydrophobicContact CD2-CD2 3.91Å; L324-L354 HydrophobicContact CG-CD2 3.8Å; L324-L354 WeakPolarHBondContact O-CD2 3.44Å; L324-L354 PolarHBondContact O-N 2.68Å; L327-L354 HydrophobicContact CB-CD2 4.05Å; F347-L354 HydrophobicContact CE1-CD1 3.89Å; F347-L354 HydrophobicContact CZ-CD1 3.88Å; F347-L354 HydrophobicContact CZ-CG 4.5Å; L348-L354 HydrophobicContact CD2-CD1 3.49Å; L348-L354 VanDerWaalsContact CD2-CD1 3.49Å; N352-L354 VanDerWaalsContact OD1-CB 3.26Å; N352-L354 WeakPolarHBondContact OD1-CB 3.46Å; N352-L354 WeakPolarHBondContact OD1-CG 3.45Å; N352-L354 PolarHBondContact OD1-N 3.12Å; L354-D380 CarbonylContact O-C 3.42Å; L354-L381 HydrophobicContact CB-CD1 4.47Å; L354-L381 WeakPolarHBondContact O-CA 3.19Å; L354-L381 PolarHBondContact O-N 2.96Å
355V96.8Very high91.9Very high53 Ų5328.6 Ų28.632%0.32116%0.161SC..  trans-96.2-39175.81790000110.1L325 C353 D380 S382 F383L325-V355 HydrophobicContact CD2-CG2 4.3Å; L325-V355 PolarHBondContact O-N 3.31Å; C353-V355 PolarHBondContact O-N 3.14Å; C353-V355 VanDerWaalsContact O-N 3.14Å; V355-D380 HydrophobicContact CG2-CB 4.45Å; V355-S382 WeakPolarHBondContact CG1-OG 3.35Å; V355-S382 PolarHBondContact O-N 3.31Å; V355-S382 PolarHBondContact O-OG 3.03Å; V355-F383 PolarHBondContact O-N 3.45Å
356H98.1Very high92.1Very high39 Ų3927.2 Ų27.218%0.18116%0.155CC..EExtended strand (participates in β ladder)trans-125.4120.1-176.7-176.1-70.9000111.6L325 H326 L327 F383L325-H356 PolarHBondContact O-N 3.41Å; H326-H356 HydrophobicContact CB-CB 4.27Å; H326-H356 VanDerWaalsContact CD2-CB 3.5Å; H326-H356 WeakPolarHBondContact CD2-CB 3.33Å; H326-H356 AromaticContact CD2-CD2 3.87Å; H326-H356 AromaticContact CD2-CE1 3.99Å; H326-H356 AromaticContact CD2-CG 3.35Å; H326-H356 AromaticContact CD2-ND1 3.45Å; H326-H356 PolarHBondContact CD2-ND1 3.26Å; H326-H356 AromaticContact CE1-CE1 3.77Å; H326-H356 AromaticContact CE1-ND1 3.57Å; H326-H356 AromaticContact CG-ND1 3.96Å; H326-H356 AromaticContact NE2-CD2 3.8Å; H326-H356 AromaticContact NE2-CE1 3.32Å; H326-H356 PolarHBondContact NE2-CE1 3.24Å; H326-H356 VanDerWaalsContact NE2-CE1 3.32Å; H326-H356 AromaticContact NE2-CG 3.51Å; H326-H356 AromaticContact NE2-ND1 3.2Å; H326-H356 PolarHBondContact NE2-ND1 3.2Å; H326-H356 AromaticContact NE2-NE2 3.7Å; L327-H356 PolarHBondContact N-O 3.14Å; H356-F383 HydrophobicContact CB-CB 4.33Å; H356-F383 AromaticContact CD2-CD1 3.28Å; H356-F383 WeakPolarHBondContact CD2-CD1 3.26Å; H356-F383 AromaticContact CD2-CE1 3.91Å; H356-F383 AromaticContact CD2-CG 3.4Å; H356-F383 WeakPolarHBondContact CD2-CG 3.38Å; H356-F383 AromaticContact CE1-CD1 3.6Å; H356-F383 AromaticContact CE1-CE1 3.64Å; H356-F383 AromaticContact CG-CD1 3.78Å; H356-F383 AromaticContact ND1-CD1 3.94Å; H356-F383 AromaticContact NE2-CD1 3.17Å; H356-F383 WeakPolarHBondContact NE2-CD1 3.23Å; H356-F383 AromaticContact NE2-CE1 3.27Å; H356-F383 VanDerWaalsContact NE2-CE1 3.27Å; H356-F383 WeakPolarHBondContact NE2-CE1 3.5Å; H356-F383 AromaticContact NE2-CG 3.66Å; H356-F383 AromaticContact NE2-CZ 3.84Å
357L97.5Very high92.2Very high0 Ų022.6 Ų22.60%013%0.131CC..EExtended strand (participates in β ladder)trans-128.4110.4176.9-177.761.4000110.6L327 L348 L359 L373 L381 F383 L384 N385L327-L357 HydrophobicContact CB-CD1 4.2Å; L327-L357 HydrophobicContact CD2-CD1 4.03Å; L327-L357 HydrophobicContact CG-CD1 4.28Å; L327-L357 WeakPolarHBondContact O-CA 3.43Å; L348-L357 HydrophobicContact CD1-CD2 4.31Å; L348-L357 HydrophobicContact CD2-CD2 4.2Å; L357-L359 HydrophobicContact CD1-CD1 4.17Å; L357-L359 HydrophobicContact CD1-CD2 3.87Å; L357-L359 HydrophobicContact CD1-CG 3.86Å; L357-L359 HydrophobicContact CD2-CD1 4.14Å; L357-L359 HydrophobicContact CG-CD1 4.18Å; L357-L359 HydrophobicContact CG-CG 3.99Å; L357-L373 HydrophobicContact CD2-CD2 3.83Å; L357-L381 HydrophobicContact CB-CD1 3.83Å; L357-F383 PolarHBondContact N-O 2.87Å; L357-L384 HydrophobicContact CB-CD1 4.39Å; L357-L384 HydrophobicContact CD2-CD1 4.07Å; L357-L384 HydrophobicContact CG-CD1 4.34Å; L357-L384 WeakPolarHBondContact O-CA 3.18Å; L357-N385 PolarHBondContact O-N 2.94Å
358D98Very high92.2Very high16 Ų1624.5 Ų24.59%0.08615%0.146CC..EExtended strand (participates in β ladder)trans-113.2112.7171.9-163-28.3000110.8L327 D328 L329 S330 S360 F383 N385L327-D358 PolarHBondContact O-N 3.1Å; D328-D358 HydrophobicContact CB-CB 4.3Å; L329-D358 PolarHBondContact N-O 3.27Å; S330-D358 VanDerWaalsContact CB-OD1 3.29Å; S330-D358 WeakPolarHBondContact CB-OD1 3.41Å; D358-S360 VanDerWaalsContact OD1-CB 3.23Å; D358-S360 WeakPolarHBondContact OD1-CB 3.26Å; D358-S360 PolarHBondContact OD1-N 3.09Å; D358-S360 PolarHBondContact OD1-OG 2.87Å; D358-F383 HydrophobicContact CB-CE1 4.42Å; D358-N385 HydrophobicContact CB-CB 4.26Å; D358-N385 PolarHBondContact OD1-ND2 3.26Å; D358-N385 PolarHBondContact OD2-ND2 2.87Å
359L96Very high92.2Very high0 Ų024.5 Ų24.50%015%0.146CC..  trans-119.621.5176.5-56.1178.3000111L329 L336 F344 L357 T362 L369 N385 L386 N389L329-L359 HydrophobicContact CB-CD2 4.14Å; L329-L359 HydrophobicContact CD1-CD2 4.26Å; L329-L359 HydrophobicContact CG-CD2 4.5Å; L336-L359 HydrophobicContact CD1-CB 4.45Å; L336-L359 HydrophobicContact CD1-CD1 4.12Å; L336-L359 HydrophobicContact CD1-CD2 3.88Å; L336-L359 HydrophobicContact CD1-CG 4.38Å; F344-L359 HydrophobicContact CE1-CD1 3.9Å; F344-L359 HydrophobicContact CE1-CD2 4.14Å; F344-L359 HydrophobicContact CZ-CD1 4.47Å; F344-L359 HydrophobicContact CZ-CD2 4.07Å; L357-L359 HydrophobicContact CD1-CD1 4.17Å; L357-L359 HydrophobicContact CD1-CD2 3.87Å; L357-L359 HydrophobicContact CD1-CG 3.86Å; L357-L359 HydrophobicContact CD2-CD1 4.14Å; L357-L359 HydrophobicContact CG-CD1 4.18Å; L357-L359 HydrophobicContact CG-CG 3.99Å; L359-T362 HydrophobicContact CB-CG2 4.47Å; L359-T362 WeakPolarHBondContact O-CB 3.27Å; L359-T362 VanDerWaalsContact O-CG2 3.29Å; L359-T362 WeakPolarHBondContact O-CG2 3.31Å; L359-T362 PolarHBondContact O-OG1 3.09Å; L359-L369 HydrophobicContact CD1-CD1 4.39Å; L359-L369 HydrophobicContact CD1-CD2 4.04Å; L359-N385 PolarHBondContact N-O 3.45Å; L359-L386 HydrophobicContact CB-CD2 4.08Å; L359-L386 HydrophobicContact CD1-CD2 4.26Å; L359-N389 PolarHBondContact O-ND2 2.97Å
360S96.7Very high92.2Very high7 Ų723.9 Ų23.95%0.04914%0.141CC..THydrogen-bonded Turntrans-62140.2-177.357.50000112.3S330 K331 D358 T362 N385 S387S330-S360 CarbonylContact C-O 3.4Å; S330-S360 WeakPolarHBondContact CA-O 3.34Å; S330-S360 WeakPolarHBondContact CB-O 3.42Å; S330-S360 WeakPolarHBondContact CB-OG 3.3Å; K331-S360 PolarHBondContact N-O 2.8Å; D358-S360 VanDerWaalsContact OD1-CB 3.23Å; D358-S360 WeakPolarHBondContact OD1-CB 3.26Å; D358-S360 PolarHBondContact OD1-N 3.09Å; D358-S360 PolarHBondContact OD1-OG 2.87Å; S360-T362 PolarHBondContact O-N 2.91Å; S360-N385 PolarHBondContact N-O 2.82Å; S360-S387 CarbonylContact C-O 3.56Å; S360-S387 WeakPolarHBondContact CA-O 3.2Å; S360-S387 WeakPolarHBondContact CB-O 3.48Å; S360-S387 WeakPolarHBondContact CB-OG 3.23Å
361A95.3Very high92.4Very high22 Ų2219.9 Ų19.918%0.18213%0.125CC..THydrogen-bonded Turntrans50.849-179.100000113.7N332 S387 K388N332-A361 CarbonylContact C-O 3.37Å; N332-A361 PolarHBondContact N-O 3.41Å; A361-S387 PolarHBondContact N-O 3.21Å; A361-K388 HydrophobicContact CB-CB 3.91Å; A361-K388 HydrophobicContact CB-CD 4.29Å
362T92.6Very high92.7Very high0 Ų015.7 Ų15.70%010%0.098CC..SBendtrans-111.51.4177.356.60000113.7L329 N332 V335 L336 L359 S360 C364 N389L329-T362 VanDerWaalsContact O-CG2 3.23Å; L329-T362 WeakPolarHBondContact O-CG2 3.31Å; N332-T362 WeakPolarHBondContact O-CA 3.24Å; V335-T362 HydrophobicContact CG1-CG2 3.94Å; L336-T362 PolarHBondContact N-O 3Å; L359-T362 HydrophobicContact CB-CG2 4.47Å; L359-T362 WeakPolarHBondContact O-CB 3.27Å; L359-T362 VanDerWaalsContact O-CG2 3.29Å; L359-T362 WeakPolarHBondContact O-CG2 3.31Å; L359-T362 PolarHBondContact O-OG1 3.09Å; S360-T362 PolarHBondContact O-N 2.91Å; T362-C364 PolarHBondContact O-N 3.49Å; T362-N389 PolarHBondContact N-OD1 3.45Å; T362-N389 PolarHBondContact OG1-OD1 3.24Å
363D89.8Confident93Very high71 Ų7115.3 Ų15.338%0.3810%0.096SC..  trans56.130.3-170.6-59.5-43.8000113.4P333 G334 N389P333-D363 WeakPolarHBondContact CA-OD2 3.48Å; P333-D363 WeakPolarHBondContact CB-OD2 3.46Å; G334-D363 PolarHBondContact N-OD2 2.93Å; D363-N389 PolarHBondContact N-OD1 2.06Å; D363-N389 VanDerWaalsContact N-OD1 3.09Å
364C88.8Confident93.2Very high0 Ų016.1 Ų16.10%010%0.099CC..  trans-74.7147.6176.5800000111.5L336 T362 V366 N389 T390L336-C364 HydrophobicContact CB-CB 3.57Å; L336-C364 HydrophobicContact CD1-CB 3.89Å; L336-C364 HydrophobicContact CG-CB 4.38Å; T362-C364 PolarHBondContact O-N 3.49Å; C364-V366 PolarHBondContact O-N 2.81Å; C364-N389 PolarHBondContact N-OD1 2.97Å; C364-N389 PolarHBondContact SG-ND2 2.99Å; C364-N389 VanDerWaalsContact SG-ND2 3.44Å; C364-T390 PolarHBondContact O-N 3.42Å
365S88.8Confident93.2Very high31 Ų3124.4 Ų24.422%0.21713%0.13CC..BIsolated β-bridgetrans-84.898.9174-161.10000109.5D367 S368S365-D367 VanDerWaalsContact C-N 3.25Å; S365-D367 PolarHBondContact O-N 2.78Å; S365-D367 PolarHBondContact OG-OD1 3.26Å; S365-S368 PolarHBondContact O-N 3.47Å
366V90.9Very high93Very high0 Ų022.2 Ų22.20%012%0.118CC..Hα-helixtrans-56.1-38.8-171.5176.30000112.4C364 S368 L369 F370 L386 N389 T390 F391 F403 F418 M421C364-V366 PolarHBondContact O-N 2.81Å; V366-S368 VanDerWaalsContact C-N 3.27Å; V366-S368 PolarHBondContact O-N 2.67Å; V366-L369 WeakPolarHBondContact O-CB 3.44Å; V366-L369 PolarHBondContact O-N 3.36Å; V366-L369 VanDerWaalsContact O-N 3.16Å; V366-F370 HydrophobicContact CG1-CD2 4.24Å; V366-F370 HydrophobicContact CG1-CE2 3.74Å; V366-F370 WeakPolarHBondContact O-CD2 3.48Å; V366-L386 HydrophobicContact CG1-CD1 4.07Å; V366-N389 HydrophobicContact CG2-CB 3.72Å; V366-T390 PolarHBondContact N-O 3.46Å; V366-F391 HydrophobicContact CB-CD1 4.01Å; V366-F391 HydrophobicContact CB-CE1 3.79Å; V366-F391 HydrophobicContact CB-CZ 4.1Å; V366-F391 HydrophobicContact CG1-CD1 4.24Å; V366-F391 HydrophobicContact CG1-CE1 3.52Å; V366-F391 HydrophobicContact CG1-CZ 3.71Å; V366-F403 HydrophobicContact CG1-CE1 4.26Å; V366-F403 HydrophobicContact CG1-CZ 4.33Å; V366-F418 HydrophobicContact CG1-CE1 4.41Å; V366-M421 HydrophobicContact CG2-SD 4.47Å
367D88.9Confident92.7Very high1 Ų120.4 Ų20.41%0.00511%0.11CC..Hα-helixtrans-60.7-30.6178.856.8-65.7000114.4S365 F391 S392 V396 T399 F403S365-D367 VanDerWaalsContact C-N 3.25Å; S365-D367 PolarHBondContact O-N 2.78Å; S365-D367 PolarHBondContact OG-OD1 3.26Å; D367-F391 HydrophobicContact CB-CD1 4.33Å; D367-S392 VanDerWaalsContact CG-OG 3.27Å; D367-S392 WeakPolarHBondContact OD1-CB 3.46Å; D367-S392 PolarHBondContact OD1-N 2.9Å; D367-S392 PolarHBondContact OD1-OG 2.8Å; D367-S392 WeakPolarHBondContact OD2-CB 3.39Å; D367-S392 PolarHBondContact OD2-OG 2.83Å; D367-V396 HydrophobicContact CB-CG2 3.95Å; D367-T399 HydrophobicContact CB-CG2 4.47Å; D367-T399 WeakPolarHBondContact O-CG2 3.35Å; D367-F403 HydrophobicContact CB-CE2 4.47Å
368S87.5Confident92.5Very high49 Ų4921.3 Ų21.334%0.34312%0.116SC..Hα-helixtrans-81.8-18.4179.8-61.90000112.7S365 V366S365-S368 PolarHBondContact O-N 3.47Å; V366-S368 VanDerWaalsContact C-N 3.27Å; V366-S368 PolarHBondContact O-N 2.67Å
369L91Very high92.2Very high0 Ų023 Ų230%013%0.133CC..Hα-helixtrans-77.6-38.4-174.8-178.364.6000112.8Y345 L348 L359 V366 G371 A372 L373 L386Y345-L369 HydrophobicContact CD1-CD1 3.76Å; Y345-L369 HydrophobicContact CE1-CB 4.37Å; Y345-L369 HydrophobicContact CE1-CD1 3.72Å; L348-L369 HydrophobicContact CD1-CD1 3.39Å; L359-L369 HydrophobicContact CD1-CD1 4.39Å; L359-L369 HydrophobicContact CD1-CD2 4.04Å; V366-L369 WeakPolarHBondContact O-CB 3.44Å; V366-L369 PolarHBondContact O-N 3.36Å; V366-L369 VanDerWaalsContact O-N 3.16Å; L369-G371 VanDerWaalsContact C-N 3.27Å; L369-G371 PolarHBondContact O-N 3.28Å; L369-A372 WeakPolarHBondContact O-CA 3.41Å; L369-A372 WeakPolarHBondContact O-CB 3.44Å; L369-A372 PolarHBondContact O-N 3.27Å; L369-L373 HydrophobicContact CD1-CD2 4.37Å; L369-L373 HydrophobicContact CD1-CG 4.21Å; L369-L373 HydrophobicContact CD2-CD1 3.9Å; L369-L373 HydrophobicContact CD2-CG 4.46Å; L369-L373 HydrophobicContact CG-CD1 3.72Å; L369-L373 HydrophobicContact CG-CD2 4.43Å; L369-L373 HydrophobicContact CG-CG 3.86Å; L369-L373 PolarHBondContact O-N 3.21Å; L369-L386 HydrophobicContact CD2-CD1 3.98Å; L369-L386 HydrophobicContact CD2-CD2 3.47Å; L369-L386 VanDerWaalsContact CD2-CD2 3.47Å; L369-L386 HydrophobicContact CD2-CG 4.39Å
370F92.3Very high92.1Very high0 Ų026.5 Ų26.50%015%0.151CC..Hα-helixtrans-65.4-26.9-171.1-84.9-95.9000114.1V366 A372 L374 L384 L386 L402 F403 F406 F407 F418V366-F370 HydrophobicContact CG1-CD2 4.24Å; V366-F370 HydrophobicContact CG1-CE2 3.74Å; V366-F370 WeakPolarHBondContact O-CD2 3.48Å; F370-A372 VanDerWaalsContact C-N 3.27Å; F370-A372 PolarHBondContact O-N 3.36Å; F370-L374 WeakPolarHBondContact O-CB 3.06Å; F370-L374 PolarHBondContact O-N 3.26Å; F370-L384 HydrophobicContact CZ-CD2 4.44Å; F370-L386 HydrophobicContact CE2-CD1 3.81Å; F370-L386 HydrophobicContact CZ-CD1 4.09Å; F370-L402 HydrophobicContact CB-CB 4.45Å; F370-F403 HydrophobicContact CB-CD1 4.5Å; F370-F403 HydrophobicContact CB-CE1 4.5Å; F370-F403 AromaticContact CD1-CD1 3.79Å; F370-F403 HydrophobicContact CD1-CD1 3.79Å; F370-F403 HydrophobicContact CD1-CE1 4.15Å; F370-F403 HydrophobicContact CD1-CG 4.34Å; F370-F403 AromaticContact CD2-CD1 3.67Å; F370-F403 HydrophobicContact CD2-CD1 3.67Å; F370-F403 AromaticContact CD2-CE1 3.14Å; F370-F403 HydrophobicContact CD2-CE1 3.14Å; F370-F403 HydrophobicContact CD2-CE2 4.4Å; F370-F403 HydrophobicContact CD2-CG 4.49Å; F370-F403 AromaticContact CD2-CZ 3.55Å; F370-F403 HydrophobicContact CD2-CZ 3.55Å; F370-F403 AromaticContact CE1-CD1 3.86Å; F370-F403 HydrophobicContact CE1-CD1 3.86Å; F370-F403 HydrophobicContact CE1-CE1 4.19Å; F370-F403 AromaticContact CE2-CD1 3.76Å; F370-F403 HydrophobicContact CE2-CD1 3.76Å; F370-F403 AromaticContact CE2-CE1 3.21Å; F370-F403 HydrophobicContact CE2-CE1 3.21Å; F370-F403 HydrophobicContact CE2-CZ 4Å; F370-F403 AromaticContact CG-CD1 3.69Å; F370-F403 HydrophobicContact CG-CD1 3.69Å; F370-F403 AromaticContact CG-CE1 3.66Å; F370-F403 HydrophobicContact CG-CE1 3.66Å; F370-F403 HydrophobicContact CG-CG 4.19Å; F370-F403 HydrophobicContact CG-CZ 4.09Å; F370-F403 AromaticContact CZ-CD1 3.86Å; F370-F403 HydrophobicContact CZ-CD1 3.86Å; F370-F403 AromaticContact CZ-CE1 3.76Å; F370-F403 HydrophobicContact CZ-CE1 3.76Å; F370-F406 HydrophobicContact CD1-CB 3.86Å; F370-F406 AromaticContact CD1-CD1 3.7Å; F370-F406 HydrophobicContact CD1-CD1 3.7Å; F370-F406 HydrophobicContact CD1-CE1 4.42Å; F370-F406 AromaticContact CD1-CG 3.8Å; F370-F406 HydrophobicContact CD1-CG 3.8Å; F370-F406 HydrophobicContact CE1-CB 4.42Å; F370-F406 AromaticContact CE1-CD1 3.43Å; F370-F406 HydrophobicContact CE1-CD1 3.43Å; F370-F406 VanDerWaalsContact CE1-CD1 3.43Å; F370-F406 AromaticContact CE1-CE1 3.86Å; F370-F406 HydrophobicContact CE1-CE1 3.86Å; F370-F406 HydrophobicContact CE1-CG 4.04Å; F370-F407 HydrophobicContact CD1-CE2 4.32Å; F370-F407 HydrophobicContact CE1-CD2 4.25Å; F370-F407 AromaticContact CE1-CE2 3.37Å; F370-F407 HydrophobicContact CE1-CE2 3.37Å; F370-F407 AromaticContact CE1-CZ 3.75Å; F370-F407 HydrophobicContact CE1-CZ 3.75Å; F370-F407 AromaticContact CZ-CE2 3.9Å; F370-F407 HydrophobicContact CZ-CE2 3.9Å; F370-F407 HydrophobicContact CZ-CZ 4.05Å; F370-F418 HydrophobicContact CE2-CE1 4.33Å; F370-F418 HydrophobicContact CZ-CE1 4.1Å; F370-F418 AromaticContact CZ-CZ 3.93Å; F370-F418 HydrophobicContact CZ-CZ 3.93Å
371G92.2Very high92.1Very high10 Ų1026.3 Ų26.310%0.10315%0.149CC..Hα-helixtrans-67.3-28.4171.900000113.3L369 R375L369-G371 VanDerWaalsContact C-N 3.27Å; L369-G371 PolarHBondContact O-N 3.28Å; G371-R375 PolarHBondContact O-NE 3.33Å; G371-R375 PolarHBondContact O-NH2 3.5Å
372A93.1Very high92.1Very high2 Ų226.5 Ų26.52%0.01715%0.149CC..Hα-helixtrans-78.3-51.4172.300000110.9Y345 L348 S349 L369 F370 L374 R375 G376Y345-A372 WeakPolarHBondContact O-CB 3.44Å; L348-A372 HydrophobicContact CB-CB 3.83Å; L348-A372 VanDerWaalsContact O-O 3.12Å; S349-A372 WeakPolarHBondContact CA-O 3.26Å; L369-A372 WeakPolarHBondContact O-CA 3.41Å; L369-A372 WeakPolarHBondContact O-CB 3.44Å; L369-A372 PolarHBondContact O-N 3.27Å; F370-A372 VanDerWaalsContact C-N 3.27Å; F370-A372 PolarHBondContact O-N 3.36Å; A372-L374 VanDerWaalsContact C-N 3.27Å; A372-L374 PolarHBondContact O-N 3.03Å; A372-R375 PolarHBondContact O-N 3.39Å; A372-G376 PolarHBondContact O-N 3.14Å; A372-G376 VanDerWaalsContact O-N 3.09Å
373L95.1Very high92.4Very high0 Ų028.7 Ų28.70%016%0.159CC..Hα-helixtrans-56.2-40.3-179.6-63.1177.8000112.8L348 L357 L369 R375 C377 C378 L381 L384 F406L348-L373 HydrophobicContact CD1-CD2 4.24Å; L357-L373 HydrophobicContact CD2-CD2 3.83Å; L369-L373 HydrophobicContact CD1-CD2 4.37Å; L369-L373 HydrophobicContact CD1-CG 4.21Å; L369-L373 HydrophobicContact CD2-CD1 3.9Å; L369-L373 HydrophobicContact CD2-CG 4.46Å; L369-L373 HydrophobicContact CG-CD1 3.72Å; L369-L373 HydrophobicContact CG-CD2 4.43Å; L369-L373 HydrophobicContact CG-CG 3.86Å; L369-L373 PolarHBondContact O-N 3.21Å; L373-R375 PolarHBondContact O-N 2.96Å; L373-C377 HydrophobicContact CD2-CB 4.14Å; L373-C377 WeakPolarHBondContact O-CB 3.35Å; L373-C377 PolarHBondContact O-N 3.29Å; L373-C378 PolarHBondContact O-N 3.18Å; L373-L381 HydrophobicContact CD2-CD2 4.42Å; L373-L384 HydrophobicContact CD1-CD1 4.3Å; L373-L384 HydrophobicContact CD1-CD2 4.01Å; L373-F406 HydrophobicContact CB-CD2 3.84Å; L373-F406 HydrophobicContact CB-CE2 3.63Å; L373-F406 HydrophobicContact CB-CZ 4.32Å
374L95.3Very high92.8Very high37 Ų3725.3 Ų25.319%0.19414%0.141CC..Hα-helixtrans-59.8-33.9176.4175.861000113.1F370 A372 C378 L402 Q405 F406F370-L374 WeakPolarHBondContact O-CB 3.06Å; F370-L374 PolarHBondContact O-N 3.26Å; A372-L374 VanDerWaalsContact C-N 3.27Å; A372-L374 PolarHBondContact O-N 3.03Å; L374-C378 PolarHBondContact O-SG 2.8Å; L374-C378 VanDerWaalsContact O-SG 3.41Å; L374-L402 HydrophobicContact CD2-CD2 4.07Å; L374-Q405 HydrophobicContact CD1-CB 4Å; L374-Q405 HydrophobicContact CD2-CB 3.76Å; L374-F406 HydrophobicContact CB-CB 4.37Å; L374-F406 HydrophobicContact CD1-CB 4.42Å
375R93.3Very high93.3Very high175 Ų17526.2 Ų26.266%0.6615%0.146SC*.Hα-helixtrans-86.1-40.4-175.8-74-176.6-77.6-159.53.2112.8S349 G371 A372 L373S349-R375 WeakPolarHBondContact O-CB 3.42Å; G371-R375 PolarHBondContact O-NE 3.33Å; G371-R375 PolarHBondContact O-NH2 3.5Å; A372-R375 PolarHBondContact O-N 3.39Å; L373-R375 PolarHBondContact O-N 2.96Å
376G91.3Very high93.6Very high6 Ų624.8 Ų24.86%0.06214%0.136CC..Hα-helixtrans-107.3-28.8-171.900000116L348 Q350 N352 A372L348-G376 VanDerWaalsContact O-CA 3.3Å; L348-G376 WeakPolarHBondContact O-CA 3.29Å; Q350-G376 WeakPolarHBondContact O-CA 3.31Å; N352-G376 PolarHBondContact N-O 2.87Å; N352-G376 PolarHBondContact ND2-O 3.01Å; A372-G376 PolarHBondContact O-N 3.14Å; A372-G376 VanDerWaalsContact O-N 3.09Å
377C93.3Very high93.9Very high1 Ų125.5 Ų25.51%0.00714%0.14CC..THydrogen-bonded Turntrans-110.4-3-163.8-60.80000115N352 L373 A379 L381N352-C377 PolarHBondContact ND2-SG 2.97Å; N352-C377 PolarHBondContact OD1-SG 3.41Å; N352-C377 VanDerWaalsContact OD1-SG 3.37Å; L373-C377 HydrophobicContact CD2-CB 4.14Å; L373-C377 WeakPolarHBondContact O-CB 3.35Å; L373-C377 PolarHBondContact O-N 3.29Å; C377-A379 PolarHBondContact O-N 3.24Å; C377-L381 HydrophobicContact CB-CB 4.1Å; C377-L381 HydrophobicContact CB-CD2 4.11Å; C377-L381 WeakPolarHBondContact O-CB 3.3Å; C377-L381 PolarHBondContact O-N 3.39Å
378C91.8Very high94.2Very high19 Ų1931.4 Ų31.413%0.12817%0.166CC..THydrogen-bonded Turntrans-62.9-25.3-173.7-79.70000115L373 L374 F411L373-C378 PolarHBondContact O-N 3.18Å; L374-C378 PolarHBondContact O-SG 2.8Å; L374-C378 VanDerWaalsContact O-SG 3.41Å; C378-F411 PolarHBondContact O-N 2.89Å
379A91.5Very high94.5Very high53 Ų5329.3 Ų29.344%0.43815%0.151SC..THydrogen-bonded Turntrans-73.8-57.5-176.400000112.1C377 S412C377-A379 PolarHBondContact O-N 3.24Å; A379-S412 PolarHBondContact O-OG 2.79Å
380D93.8Very high94.5Very high73 Ų7333.3 Ų33.339%0.3918%0.176SC..THydrogen-bonded Turntrans-107-16.8-165.3-61.2-44.4000114.3L354 V355 S382L354-D380 CarbonylContact O-C 3.42Å; V355-D380 HydrophobicContact CG2-CB 4.45Å; D380-S382 PolarHBondContact O-N 3.1Å; D380-S382 VanDerWaalsContact O-N 3.08Å
381L96.7Very high94.3Very high2 Ų233.9 Ų33.91%0.0118%0.178CC..  trans-65116-173.4-170.271.1000111.2L354 L357 L373 C377 L384 F406 S412 L413L354-L381 HydrophobicContact CB-CD1 4.47Å; L354-L381 WeakPolarHBondContact O-CA 3.19Å; L354-L381 PolarHBondContact O-N 2.96Å; L357-L381 HydrophobicContact CB-CD1 3.83Å; L373-L381 HydrophobicContact CD2-CD2 4.42Å; C377-L381 HydrophobicContact CB-CB 4.1Å; C377-L381 HydrophobicContact CB-CD2 4.11Å; C377-L381 WeakPolarHBondContact O-CB 3.3Å; C377-L381 PolarHBondContact O-N 3.39Å; L381-L384 HydrophobicContact CD2-CB 4.21Å; L381-L384 HydrophobicContact CD2-CD1 4.35Å; L381-L384 HydrophobicContact CD2-CD2 4.44Å; L381-F406 HydrophobicContact CD2-CZ 4.16Å; L381-S412 CarbonylContact O-C 3.43Å; L381-L413 HydrophobicContact CD2-CD2 4.48Å; L381-L413 HydrophobicContact CG-CD2 4.37Å; L381-L413 WeakPolarHBondContact O-CD2 3.07Å; L381-L413 PolarHBondContact O-N 2.84Å
382S97Very high93.8Very high26 Ų2635 Ų3518%0.18218%0.184CC..  trans-106.9-36.1-179.379.70000112.6V355 D380 S412 T414 H415V355-S382 WeakPolarHBondContact CG1-OG 3.35Å; V355-S382 PolarHBondContact O-N 3.31Å; V355-S382 PolarHBondContact O-OG 3.03Å; D380-S382 PolarHBondContact O-N 3.1Å; D380-S382 VanDerWaalsContact O-N 3.08Å; S382-S412 VanDerWaalsContact CA-O 3.25Å; S382-S412 WeakPolarHBondContact CA-O 3.49Å; S382-S412 VanDerWaalsContact CB-O 3.31Å; S382-S412 WeakPolarHBondContact CB-O 3.08Å; S382-T414 PolarHBondContact O-N 3.31Å; S382-T414 PolarHBondContact O-OG1 2.85Å; S382-T414 VanDerWaalsContact O-OG1 3.07Å; S382-H415 PolarHBondContact O-N 3Å
383F98.4Very high92.7Very high47 Ų4742.2 Ų42.221%0.20622%0.217CC..EExtended strand (participates in β ladder)trans-121.1120.1-177.8-176.6-79.4000110.5V355 H356 L357 D358 N385 H415V355-F383 PolarHBondContact O-N 3.45Å; H356-F383 HydrophobicContact CB-CB 4.33Å; H356-F383 AromaticContact CD2-CD1 3.28Å; H356-F383 WeakPolarHBondContact CD2-CD1 3.26Å; H356-F383 AromaticContact CD2-CE1 3.91Å; H356-F383 AromaticContact CD2-CG 3.4Å; H356-F383 WeakPolarHBondContact CD2-CG 3.38Å; H356-F383 AromaticContact CE1-CD1 3.6Å; H356-F383 AromaticContact CE1-CE1 3.64Å; H356-F383 AromaticContact CG-CD1 3.78Å; H356-F383 AromaticContact ND1-CD1 3.94Å; H356-F383 AromaticContact NE2-CD1 3.17Å; H356-F383 WeakPolarHBondContact NE2-CD1 3.23Å; H356-F383 AromaticContact NE2-CE1 3.27Å; H356-F383 VanDerWaalsContact NE2-CE1 3.27Å; H356-F383 WeakPolarHBondContact NE2-CE1 3.5Å; H356-F383 AromaticContact NE2-CG 3.66Å; H356-F383 AromaticContact NE2-CZ 3.84Å; L357-F383 PolarHBondContact N-O 2.87Å; D358-F383 HydrophobicContact CB-CE1 4.42Å; F383-N385 HydrophobicContact CD1-CB 4.47Å; F383-N385 HydrophobicContact CE1-CB 3.58Å; F383-N385 HydrophobicContact CZ-CB 4.04Å; F383-H415 HydrophobicContact CD2-CB 3.5Å; F383-H415 AromaticContact CD2-CD2 3.41Å; F383-H415 VanDerWaalsContact CD2-CD2 3.41Å; F383-H415 WeakPolarHBondContact CD2-CD2 3.41Å; F383-H415 AromaticContact CD2-CG 3.51Å; F383-H415 HydrophobicContact CE2-CB 3.99Å; F383-H415 AromaticContact CE2-CD2 3.08Å; F383-H415 WeakPolarHBondContact CE2-CD2 3.45Å; F383-H415 AromaticContact CE2-CG 3.45Å; F383-H415 VanDerWaalsContact CE2-CG 3.45Å; F383-H415 AromaticContact CE2-NE2 3.57Å; F383-H415 HydrophobicContact CG-CB 4.24Å; F383-H415 AromaticContact CZ-CD2 3.51Å; F383-H415 AromaticContact CZ-NE2 3.76Å
384L98.1Very high91.4Very high0 Ų053.7 Ų53.70%026%0.261CS..EExtended strand (participates in β ladder)trans-128.9111.8177.2178.460.6000110.4L357 F370 L373 L381 L386 F406 L413 H415 V416 S417L357-L384 HydrophobicContact CB-CD1 4.39Å; L357-L384 HydrophobicContact CD2-CD1 4.07Å; L357-L384 HydrophobicContact CG-CD1 4.34Å; L357-L384 WeakPolarHBondContact O-CA 3.18Å; F370-L384 HydrophobicContact CZ-CD2 4.44Å; L373-L384 HydrophobicContact CD1-CD1 4.3Å; L373-L384 HydrophobicContact CD1-CD2 4.01Å; L381-L384 HydrophobicContact CD2-CB 4.21Å; L381-L384 HydrophobicContact CD2-CD1 4.35Å; L381-L384 HydrophobicContact CD2-CD2 4.44Å; L384-L386 HydrophobicContact CD1-CD1 4.17Å; L384-L386 HydrophobicContact CD1-CD2 3.87Å; L384-L386 HydrophobicContact CD1-CG 3.85Å; L384-L386 HydrophobicContact CD2-CD1 4.12Å; L384-L386 HydrophobicContact CG-CD1 4.18Å; L384-L386 HydrophobicContact CG-CG 4.01Å; L384-F406 HydrophobicContact CD2-CE1 4.23Å; L384-F406 HydrophobicContact CD2-CZ 4.33Å; L384-L413 HydrophobicContact CB-CD2 4.46Å; L384-H415 PolarHBondContact N-O 2.58Å; L384-V416 HydrophobicContact CB-CG2 4.47Å; L384-V416 CarbonylContact O-C 3.43Å; L384-V416 VanDerWaalsContact O-CA 3.28Å; L384-V416 WeakPolarHBondContact O-CA 3.5Å; L384-S417 PolarHBondContact O-N 2.87Å
385N98.1Very high90.1Very high19 Ų1957.4 Ų57.410%0.10228%0.275CS..EExtended strand (participates in β ladder)trans-114.5115174.3-176.35.4000110.7L357 D358 L359 S360 F383 S387L357-N385 PolarHBondContact O-N 2.94Å; D358-N385 HydrophobicContact CB-CB 4.26Å; D358-N385 PolarHBondContact OD1-ND2 3.26Å; D358-N385 PolarHBondContact OD2-ND2 2.87Å; L359-N385 PolarHBondContact N-O 3.45Å; S360-N385 PolarHBondContact N-O 2.82Å; F383-N385 HydrophobicContact CD1-CB 4.47Å; F383-N385 HydrophobicContact CE1-CB 3.58Å; F383-N385 HydrophobicContact CZ-CB 4.04Å; N385-S387 VanDerWaalsContact OD1-CB 3.31Å; N385-S387 WeakPolarHBondContact OD1-CB 2.86Å; N385-S387 PolarHBondContact OD1-N 3.08Å; N385-S387 PolarHBondContact OD1-OG 3.14Å
386L96.9Very high89.5Confident1 Ų149.7 Ų49.71%0.00525%0.248CC..  trans-116.79179-61.1178.9000112.1L359 V366 L369 F370 L384 N389 S417 F418 M421L359-L386 HydrophobicContact CB-CD2 4.08Å; L359-L386 HydrophobicContact CD1-CD2 4.26Å; V366-L386 HydrophobicContact CG1-CD1 4.07Å; L369-L386 HydrophobicContact CD2-CD1 3.98Å; L369-L386 HydrophobicContact CD2-CD2 3.47Å; L369-L386 VanDerWaalsContact CD2-CD2 3.47Å; L369-L386 HydrophobicContact CD2-CG 4.39Å; F370-L386 HydrophobicContact CE2-CD1 3.81Å; F370-L386 HydrophobicContact CZ-CD1 4.09Å; L384-L386 HydrophobicContact CD1-CD1 4.17Å; L384-L386 HydrophobicContact CD1-CD2 3.87Å; L384-L386 HydrophobicContact CD1-CG 3.85Å; L384-L386 HydrophobicContact CD2-CD1 4.12Å; L384-L386 HydrophobicContact CG-CD1 4.18Å; L384-L386 HydrophobicContact CG-CG 4.01Å; L386-N389 WeakPolarHBondContact O-CB 3.1Å; L386-N389 PolarHBondContact O-ND2 3.19Å; L386-S417 PolarHBondContact N-O 3.06Å; L386-F418 HydrophobicContact CB-CD1 4.41Å; L386-F418 HydrophobicContact CD1-CE1 4.02Å; L386-M421 VanDerWaalsContact C-CE 3.45Å; L386-M421 HydrophobicContact CB-CE 4.2Å; L386-M421 WeakPolarHBondContact O-CE 3.16Å
387S96.5Very high89.1Confident14 Ų1457.2 Ų57.210%0.09828%0.279CS..THydrogen-bonded Turntrans-51.6151.2-174.958.70000113.6S360 A361 N385 N389 S417 A419S360-S387 CarbonylContact C-O 3.56Å; S360-S387 WeakPolarHBondContact CA-O 3.2Å; S360-S387 WeakPolarHBondContact CB-O 3.48Å; S360-S387 WeakPolarHBondContact CB-OG 3.23Å; A361-S387 PolarHBondContact N-O 3.21Å; N385-S387 VanDerWaalsContact OD1-CB 3.31Å; N385-S387 WeakPolarHBondContact OD1-CB 2.86Å; N385-S387 PolarHBondContact OD1-N 3.08Å; N385-S387 PolarHBondContact OD1-OG 3.14Å; S387-N389 PolarHBondContact O-N 3.12Å; S387-N389 PolarHBondContact O-ND2 2.99Å; S387-S417 PolarHBondContact N-O 3.46Å; S387-A419 CarbonylContact C-O 3.5Å; S387-A419 WeakPolarHBondContact CA-O 3.45Å; S387-A419 WeakPolarHBondContact CB-O 3.31Å
388K94.7Very high88.7Confident126 Ų12663.3 Ų63.355%0.54831%0.311SS..THydrogen-bonded Turntrans5829.2178-57.9175.7179.5178.60114.9A361 A419A361-K388 HydrophobicContact CB-CB 3.91Å; A361-K388 HydrophobicContact CB-CD 4.29Å; K388-A419 PolarHBondContact N-O 3.39Å
389N93.8Very high88.5Confident4 Ų463.3 Ų63.32%0.02131%0.311CS..  trans-105.9-173.5170.1-71.4-53.5000111.4L359 T362 D363 C364 V366 L386 S387 M421L359-N389 PolarHBondContact O-ND2 2.97Å; T362-N389 PolarHBondContact N-OD1 3.45Å; T362-N389 PolarHBondContact OG1-OD1 3.24Å; D363-N389 PolarHBondContact N-OD1 2.06Å; D363-N389 VanDerWaalsContact N-OD1 3.09Å; C364-N389 PolarHBondContact N-OD1 2.97Å; C364-N389 PolarHBondContact SG-ND2 2.99Å; C364-N389 VanDerWaalsContact SG-ND2 3.44Å; V366-N389 HydrophobicContact CG2-CB 3.72Å; L386-N389 WeakPolarHBondContact O-CB 3.1Å; L386-N389 PolarHBondContact O-ND2 3.19Å; S387-N389 PolarHBondContact O-N 3.12Å; S387-N389 PolarHBondContact O-ND2 2.99Å; N389-M421 VanDerWaalsContact O-CB 3.26Å; N389-M421 WeakPolarHBondContact O-CB 3.18Å
390T90.6Very high88.5Confident85 Ų8562.6 Ų62.652%0.52130%0.299SS..BIsolated β-bridgetrans-130.7156.9-176.865.10000112.7C364 V366C364-T390 PolarHBondContact O-N 3.42Å; V366-T390 PolarHBondContact N-O 3.46Å
391F89.3Confident88.5Confident12 Ų1262.7 Ų62.75%0.05330%0.304CS..  trans-101.7139.2172.3-72.4-87000110.4V366 D367 H393 V396 F403 M421 K422 L423 P424 V427V366-F391 HydrophobicContact CB-CD1 4.01Å; V366-F391 HydrophobicContact CB-CE1 3.79Å; V366-F391 HydrophobicContact CB-CZ 4.1Å; V366-F391 HydrophobicContact CG1-CD1 4.24Å; V366-F391 HydrophobicContact CG1-CE1 3.52Å; V366-F391 HydrophobicContact CG1-CZ 3.71Å; D367-F391 HydrophobicContact CB-CD1 4.33Å; F391-H393 PolarHBondContact O-N 3.34Å; F391-V396 HydrophobicContact CB-CG2 3.85Å; F391-V396 HydrophobicContact CD1-CG2 4.08Å; F391-V396 HydrophobicContact CG-CG2 4.39Å; F391-F403 HydrophobicContact CD1-CZ 4.42Å; F391-F403 HydrophobicContact CE1-CE1 4.05Å; F391-F403 AromaticContact CE1-CZ 3.72Å; F391-F403 HydrophobicContact CE1-CZ 3.72Å; F391-M421 HydrophobicContact CD2-SD 4.41Å; F391-M421 HydrophobicContact CE2-CG 4.1Å; F391-M421 HydrophobicContact CE2-SD 3.49Å; F391-M421 WeakPolarHBondContact CE2-SD 3.23Å; F391-M421 HydrophobicContact CZ-SD 4.02Å; F391-K422 WeakPolarHBondContact CD2-O 3.25Å; F391-L423 HydrophobicContact CE2-CD1 3.58Å; F391-L423 HydrophobicContact CZ-CD1 3.5Å; F391-P424 HydrophobicContact CB-CG 4.34Å; F391-P424 VanDerWaalsContact CD2-CD 3.48Å; F391-P424 HydrophobicContact CD2-CG 4.22Å; F391-P424 HydrophobicContact CG-CG 4.17Å; F391-V427 HydrophobicContact CD1-CG2 4.35Å; F391-V427 HydrophobicContact CE1-CB 4.47Å; F391-V427 HydrophobicContact CE1-CG1 3.84Å; F391-V427 HydrophobicContact CE1-CG2 4.09Å; F391-V427 HydrophobicContact CZ-CG1 3.91Å
392S80.7Confident88.4Confident32 Ų3265.1 Ų65.122%0.22432%0.316CS..  trans-72.6112.6173.489.60000110.7D367 R394 K395 V396D367-S392 VanDerWaalsContact CG-OG 3.27Å; D367-S392 WeakPolarHBondContact OD1-CB 3.46Å; D367-S392 PolarHBondContact OD1-N 2.9Å; D367-S392 PolarHBondContact OD1-OG 2.8Å; D367-S392 WeakPolarHBondContact OD2-CB 3.39Å; D367-S392 PolarHBondContact OD2-OG 2.83Å; S392-R394 PolarHBondContact O-N 2.91Å; S392-K395 PolarHBondContact O-N 3.1Å; S392-K395 WeakPolarHBondContact OG-CB 3.18Å; S392-V396 WeakPolarHBondContact O-CG2 3.34Å; S392-V396 PolarHBondContact O-N 2.88Å
393H69.6Low88.3Confident155 Ų15563.9 Ų63.972%0.71831%0.308SS*.THydrogen-bonded Turntrans-59.8-16.3-175.3-69.2-54000115.1F391F391-H393 PolarHBondContact O-N 3.34Å
394R68.5Low88.1Confident241 Ų24168 Ų6891%0.90932%0.322SS*.THydrogen-bonded Turntrans-95.1-32.8-176-63.6-176-178.2-177.51114S392S392-R394 PolarHBondContact O-N 2.91Å
395K68.2Low88Confident114 Ų11472.6 Ų72.650%0.49634%0.344SS..THydrogen-bonded Turntrans-106.1-9.9-171.5-60.2-179177.5176.10114.6S392 K397 D398 T399S392-K395 PolarHBondContact O-N 3.1Å; S392-K395 WeakPolarHBondContact OG-CB 3.18Å; K395-K397 VanDerWaalsContact C-N 3.25Å; K395-K397 PolarHBondContact O-N 2.9Å; K395-K397 VanDerWaalsContact O-N 3.14Å; K395-D398 PolarHBondContact O-N 2.94Å; K395-D398 VanDerWaalsContact O-N 3.09Å; K395-T399 PolarHBondContact O-N 3.19Å
396V81.3Confident88Confident14 Ų1471.8 Ų71.89%0.08534%0.339CS..Hα-helixtrans-54.4-37.1-175.2164.30000113.8D367 F391 S392 D398 T399 L400 P424 V427D367-V396 HydrophobicContact CB-CG2 3.95Å; F391-V396 HydrophobicContact CB-CG2 3.85Å; F391-V396 HydrophobicContact CD1-CG2 4.08Å; F391-V396 HydrophobicContact CG-CG2 4.39Å; S392-V396 WeakPolarHBondContact O-CG2 3.34Å; S392-V396 PolarHBondContact O-N 2.88Å; V396-D398 VanDerWaalsContact C-N 3.3Å; V396-D398 PolarHBondContact O-N 2.81Å; V396-T399 PolarHBondContact O-N 2.99Å; V396-T399 PolarHBondContact O-OG1 3.07Å; V396-T399 VanDerWaalsContact O-OG1 3.06Å; V396-L400 HydrophobicContact CG1-CD2 4.22Å; V396-L400 WeakPolarHBondContact O-CG 3.25Å; V396-L400 PolarHBondContact O-N 2.95Å; V396-P424 HydrophobicContact CG1-CG 4.45Å; V396-V427 HydrophobicContact CG1-CG2 3.46Å; V396-V427 VanDerWaalsContact CG1-CG2 3.46Å
397K82.6Confident87.9Confident163 Ų16371.7 Ų71.771%0.70934%0.339SS*.Hα-helixtrans-63.5-36.9-178.9-71.2-171.9177.3-176.10112.6K395 T399K395-K397 VanDerWaalsContact C-N 3.25Å; K395-K397 PolarHBondContact O-N 2.9Å; K395-K397 VanDerWaalsContact O-N 3.14Å; K397-T399 VanDerWaalsContact C-N 3.3Å
398D83.7Confident87.9Confident130 Ų13072.5 Ų72.570%0.69534%0.344SS*.Hα-helixtrans-75.9-23.7-178.5-56.8-29.8000111.5K395 V396 P401K395-D398 PolarHBondContact O-N 2.94Å; K395-D398 VanDerWaalsContact O-N 3.09Å; V396-D398 VanDerWaalsContact C-N 3.3Å; V396-D398 PolarHBondContact O-N 2.81Å; D398-P401 WeakPolarHBondContact O-CD 3.3Å
399T87.8Confident88Confident18 Ų1868.9 Ų68.911%0.1134%0.335CS..Hα-helixtrans-93.3-10.3-178.360.40000113.6D367 K395 V396 K397 P401 L402 F403D367-T399 HydrophobicContact CB-CG2 4.47Å; D367-T399 WeakPolarHBondContact O-CG2 3.35Å; K395-T399 PolarHBondContact O-N 3.19Å; V396-T399 PolarHBondContact O-N 2.99Å; V396-T399 PolarHBondContact O-OG1 3.07Å; V396-T399 VanDerWaalsContact O-OG1 3.06Å; K397-T399 VanDerWaalsContact C-N 3.3Å; T399-P401 VanDerWaalsContact C-N 3.32Å; T399-L402 HydrophobicContact CG2-CD1 4.34Å; T399-L402 WeakPolarHBondContact O-CA 3.15Å; T399-L402 VanDerWaalsContact O-CB 3.28Å; T399-L402 WeakPolarHBondContact O-CB 3.29Å; T399-L402 PolarHBondContact O-N 3.48Å; T399-F403 VanDerWaalsContact O-CD2 3.3Å; T399-F403 WeakPolarHBondContact O-CD2 3.45Å; T399-F403 PolarHBondContact O-N 3.2Å
400L91.8Very high88.1Confident39 Ų3968.8 Ų68.820%0.20434%0.335CS..Hα-helixtrans-49.2-41.9177.5-63.9177000114.3V396 L402 F403 R404 D426 V427 A430V396-L400 HydrophobicContact CG1-CD2 4.22Å; V396-L400 WeakPolarHBondContact O-CG 3.25Å; V396-L400 PolarHBondContact O-N 2.95Å; L400-L402 VanDerWaalsContact C-N 3.26Å; L400-L402 PolarHBondContact O-N 2.84Å; L400-F403 PolarHBondContact O-N 2.78Å; L400-R404 PolarHBondContact O-N 3.44Å; L400-D426 HydrophobicContact CD1-CB 3.96Å; L400-D426 HydrophobicContact CD2-CB 4.06Å; L400-V427 HydrophobicContact CD2-CB 4.48Å; L400-V427 HydrophobicContact CD2-CG2 3.86Å; L400-A430 HydrophobicContact CD2-CB 4.38Å
401P94.3Very high88.2Confident74 Ų7470 Ų7048%0.48133%0.333SS..Hα-helixtrans-61.7-34.4176.5-23.435.8000113D398 T399 R404 Q405D398-P401 WeakPolarHBondContact O-CD 3.3Å; T399-P401 VanDerWaalsContact C-N 3.32Å; P401-R404 PolarHBondContact O-N 2.85Å; P401-Q405 WeakPolarHBondContact O-CB 3.31Å; P401-Q405 VanDerWaalsContact O-CG 3.29Å; P401-Q405 WeakPolarHBondContact O-CG 3.5Å; P401-Q405 PolarHBondContact O-N 3.41Å
402L94.6Very high88.5Confident53 Ų5371.8 Ų71.828%0.27735%0.347SS..Hα-helixtrans-68.3-41.1-179.8-56.4174000111.4F370 L374 T399 L400 Q405 F406F370-L402 HydrophobicContact CB-CB 4.45Å; L374-L402 HydrophobicContact CD2-CD2 4.07Å; T399-L402 HydrophobicContact CG2-CD1 4.34Å; T399-L402 WeakPolarHBondContact O-CA 3.15Å; T399-L402 VanDerWaalsContact O-CB 3.28Å; T399-L402 WeakPolarHBondContact O-CB 3.29Å; T399-L402 PolarHBondContact O-N 3.48Å; L400-L402 VanDerWaalsContact C-N 3.26Å; L400-L402 PolarHBondContact O-N 2.84Å; L402-Q405 PolarHBondContact O-N 3.27Å; L402-F406 WeakPolarHBondContact O-CB 3.49Å; L402-F406 PolarHBondContact O-N 3.32Å
403F94.4Very high89.3Confident0 Ų070.5 Ų70.50%034%0.337CS..Hα-helixtrans-57.4-52.6172.5-75-89.8000110.6V366 D367 F370 F391 T399 L400 Q405 F406 F407 V427 A430 V431V366-F403 HydrophobicContact CG1-CE1 4.26Å; V366-F403 HydrophobicContact CG1-CZ 4.33Å; D367-F403 HydrophobicContact CB-CE2 4.47Å; F370-F403 HydrophobicContact CB-CD1 4.5Å; F370-F403 HydrophobicContact CB-CE1 4.5Å; F370-F403 AromaticContact CD1-CD1 3.79Å; F370-F403 HydrophobicContact CD1-CD1 3.79Å; F370-F403 HydrophobicContact CD1-CE1 4.15Å; F370-F403 HydrophobicContact CD1-CG 4.34Å; F370-F403 AromaticContact CD2-CD1 3.67Å; F370-F403 HydrophobicContact CD2-CD1 3.67Å; F370-F403 AromaticContact CD2-CE1 3.14Å; F370-F403 HydrophobicContact CD2-CE1 3.14Å; F370-F403 HydrophobicContact CD2-CE2 4.4Å; F370-F403 HydrophobicContact CD2-CG 4.49Å; F370-F403 AromaticContact CD2-CZ 3.55Å; F370-F403 HydrophobicContact CD2-CZ 3.55Å; F370-F403 AromaticContact CE1-CD1 3.86Å; F370-F403 HydrophobicContact CE1-CD1 3.86Å; F370-F403 HydrophobicContact CE1-CE1 4.19Å; F370-F403 AromaticContact CE2-CD1 3.76Å; F370-F403 HydrophobicContact CE2-CD1 3.76Å; F370-F403 AromaticContact CE2-CE1 3.21Å; F370-F403 HydrophobicContact CE2-CE1 3.21Å; F370-F403 HydrophobicContact CE2-CZ 4Å; F370-F403 AromaticContact CG-CD1 3.69Å; F370-F403 HydrophobicContact CG-CD1 3.69Å; F370-F403 AromaticContact CG-CE1 3.66Å; F370-F403 HydrophobicContact CG-CE1 3.66Å; F370-F403 HydrophobicContact CG-CG 4.19Å; F370-F403 HydrophobicContact CG-CZ 4.09Å; F370-F403 AromaticContact CZ-CD1 3.86Å; F370-F403 HydrophobicContact CZ-CD1 3.86Å; F370-F403 AromaticContact CZ-CE1 3.76Å; F370-F403 HydrophobicContact CZ-CE1 3.76Å; F391-F403 HydrophobicContact CD1-CZ 4.42Å; F391-F403 HydrophobicContact CE1-CE1 4.05Å; F391-F403 AromaticContact CE1-CZ 3.72Å; F391-F403 HydrophobicContact CE1-CZ 3.72Å; T399-F403 VanDerWaalsContact O-CD2 3.3Å; T399-F403 WeakPolarHBondContact O-CD2 3.45Å; T399-F403 PolarHBondContact O-N 3.2Å; L400-F403 PolarHBondContact O-N 2.78Å; F403-Q405 VanDerWaalsContact C-N 3.32Å; F403-Q405 PolarHBondContact O-N 2.88Å; F403-F406 PolarHBondContact O-N 3.18Å; F403-F407 WeakPolarHBondContact O-CD2 3.5Å; F403-F407 PolarHBondContact O-N 3.09Å; F403-F407 VanDerWaalsContact O-N 3.09Å; F403-V427 HydrophobicContact CD1-CG1 3.91Å; F403-V427 HydrophobicContact CE1-CG1 3.79Å; F403-V427 HydrophobicContact CG-CG1 4.32Å; F403-V427 HydrophobicContact CZ-CG1 4.15Å; F403-A430 HydrophobicContact CB-CB 3.98Å; F403-V431 HydrophobicContact CD1-CG2 4.35Å
404R95.6Very high90.5Very high133 Ų13366.5 Ų66.550%0.50232%0.324SS..Hα-helixtrans-57.8-46.7-179.3-177.2-179.2175.5-174.5-1.8111.4L400 P401 S408 A430 G434L400-R404 PolarHBondContact O-N 3.44Å; P401-R404 PolarHBondContact O-N 2.85Å; R404-S408 WeakPolarHBondContact O-CB 3.45Å; R404-S408 PolarHBondContact O-N 2.98Å; R404-S408 PolarHBondContact O-OG 3.42Å; R404-A430 HydrophobicContact CB-CB 4.44Å; R404-G434 WeakPolarHBondContact O-CA 3.35Å
405Q96Very high91.9Very high98 Ų9856.7 Ų56.746%0.45829%0.288SS..Hα-helixtrans-64.2-42.3-180-77.2177.2-19.600112.4L374 P401 L402 F403 S408 S409L374-Q405 HydrophobicContact CD1-CB 4Å; L374-Q405 HydrophobicContact CD2-CB 3.76Å; P401-Q405 WeakPolarHBondContact O-CB 3.31Å; P401-Q405 VanDerWaalsContact O-CG 3.29Å; P401-Q405 WeakPolarHBondContact O-CG 3.5Å; P401-Q405 PolarHBondContact O-N 3.41Å; L402-Q405 PolarHBondContact O-N 3.27Å; F403-Q405 VanDerWaalsContact C-N 3.32Å; F403-Q405 PolarHBondContact O-N 2.88Å; Q405-S408 WeakPolarHBondContact CA-OG 3.39Å; Q405-S408 PolarHBondContact O-N 3.25Å; Q405-S408 PolarHBondContact O-OG 2.85Å; Q405-S409 VanDerWaalsContact O-CB 3.26Å; Q405-S409 WeakPolarHBondContact O-CB 3.26Å; Q405-S409 PolarHBondContact O-N 2.78Å; Q405-S409 PolarHBondContact O-OG 3.11Å
406F96.7Very high93.3Very high1 Ų151.3 Ų51.30%0.00427%0.265CS..Hα-helixtrans-59.9-51.3177.7173.5-97.9000110.9F370 L373 L374 L381 L384 L402 F403 S408 S409 A410 L413F370-F406 HydrophobicContact CD1-CB 3.86Å; F370-F406 AromaticContact CD1-CD1 3.7Å; F370-F406 HydrophobicContact CD1-CD1 3.7Å; F370-F406 HydrophobicContact CD1-CE1 4.42Å; F370-F406 AromaticContact CD1-CG 3.8Å; F370-F406 HydrophobicContact CD1-CG 3.8Å; F370-F406 HydrophobicContact CE1-CB 4.42Å; F370-F406 AromaticContact CE1-CD1 3.43Å; F370-F406 HydrophobicContact CE1-CD1 3.43Å; F370-F406 VanDerWaalsContact CE1-CD1 3.43Å; F370-F406 AromaticContact CE1-CE1 3.86Å; F370-F406 HydrophobicContact CE1-CE1 3.86Å; F370-F406 HydrophobicContact CE1-CG 4.04Å; L373-F406 HydrophobicContact CB-CD2 3.84Å; L373-F406 HydrophobicContact CB-CE2 3.63Å; L373-F406 HydrophobicContact CB-CZ 4.32Å; L374-F406 HydrophobicContact CB-CB 4.37Å; L374-F406 HydrophobicContact CD1-CB 4.42Å; L381-F406 HydrophobicContact CD2-CZ 4.16Å; L384-F406 HydrophobicContact CD2-CE1 4.23Å; L384-F406 HydrophobicContact CD2-CZ 4.33Å; L402-F406 WeakPolarHBondContact O-CB 3.49Å; L402-F406 PolarHBondContact O-N 3.32Å; F403-F406 PolarHBondContact O-N 3.18Å; F406-S408 VanDerWaalsContact C-N 3.29Å; F406-S408 PolarHBondContact O-N 3Å; F406-S409 PolarHBondContact O-N 2.89Å; F406-A410 WeakPolarHBondContact O-CB 3.45Å; F406-A410 PolarHBondContact O-N 2.56Å; F406-L413 HydrophobicContact CE1-CD1 3.8Å; F406-L413 HydrophobicContact CZ-CD1 4.1Å
407F96.4Very high94.1Very high0 Ų050.9 Ų50.90%026%0.262CS..Hα-helixtrans-70.5-22.2-179.5-73.8-70.3000113.7F370 F403 L413 V416 F418 V431 L435 N438F370-F407 HydrophobicContact CD1-CE2 4.32Å; F370-F407 HydrophobicContact CE1-CD2 4.25Å; F370-F407 AromaticContact CE1-CE2 3.37Å; F370-F407 HydrophobicContact CE1-CE2 3.37Å; F370-F407 AromaticContact CE1-CZ 3.75Å; F370-F407 HydrophobicContact CE1-CZ 3.75Å; F370-F407 AromaticContact CZ-CE2 3.9Å; F370-F407 HydrophobicContact CZ-CE2 3.9Å; F370-F407 HydrophobicContact CZ-CZ 4.05Å; F403-F407 WeakPolarHBondContact O-CD2 3.5Å; F403-F407 PolarHBondContact O-N 3.09Å; F403-F407 VanDerWaalsContact O-N 3.09Å; F407-L413 HydrophobicContact CD1-CD1 4.12Å; F407-L413 HydrophobicContact CE1-CD1 4.12Å; F407-V416 HydrophobicContact CE1-CG1 4.18Å; F407-V416 HydrophobicContact CE1-CG2 4.05Å; F407-V416 HydrophobicContact CZ-CG1 4.16Å; F407-F418 HydrophobicContact CE2-CZ 4.27Å; F407-F418 HydrophobicContact CZ-CE2 4.13Å; F407-F418 AromaticContact CZ-CZ 3.88Å; F407-F418 HydrophobicContact CZ-CZ 3.88Å; F407-V431 HydrophobicContact CD1-CG1 4.39Å; F407-V431 HydrophobicContact CD2-CB 4.11Å; F407-V431 HydrophobicContact CD2-CG1 3.9Å; F407-V431 HydrophobicContact CD2-CG2 3.89Å; F407-V431 HydrophobicContact CE1-CG1 4.29Å; F407-V431 HydrophobicContact CE2-CB 4.14Å; F407-V431 HydrophobicContact CE2-CG1 3.83Å; F407-V431 HydrophobicContact CE2-CG2 3.56Å; F407-V431 HydrophobicContact CG-CG1 4.21Å; F407-V431 HydrophobicContact CZ-CG1 4.03Å; F407-V431 HydrophobicContact CZ-CG2 4.33Å; F407-L435 HydrophobicContact CB-CD2 4.23Å; F407-L435 HydrophobicContact CB-CG 4.19Å; F407-L435 HydrophobicContact CD1-CD2 3.86Å; F407-L435 HydrophobicContact CD1-CG 4.18Å; F407-L435 HydrophobicContact CG-CD2 4.42Å; F407-L435 HydrophobicContact CG-CG 4.39Å; F407-N438 WeakPolarHBondContact O-CB 3.25Å; F407-N438 PolarHBondContact O-ND2 3.26Å
408S96.2Very high94.7Very high31 Ų3143.1 Ų43.122%0.21723%0.229CC..Hα-helixtrans-79.1-27.1172.363.80000113.6R404 Q405 F406 G434 T437 N438R404-S408 WeakPolarHBondContact O-CB 3.45Å; R404-S408 PolarHBondContact O-N 2.98Å; R404-S408 PolarHBondContact O-OG 3.42Å; Q405-S408 WeakPolarHBondContact CA-OG 3.39Å; Q405-S408 PolarHBondContact O-N 3.25Å; Q405-S408 PolarHBondContact O-OG 2.85Å; F406-S408 VanDerWaalsContact C-N 3.29Å; F406-S408 PolarHBondContact O-N 3Å; S408-G434 WeakPolarHBondContact CA-O 3.45Å; S408-T437 WeakPolarHBondContact CB-OG1 3.37Å; S408-N438 PolarHBondContact O-ND2 3.2Å
409S95.8Very high95.2Very high50 Ų5037.3 Ų37.335%0.3520%0.199SC..Hα-helixtrans-106.3-10.9-171.4-57.30000114.3Q405 F406 F411Q405-S409 VanDerWaalsContact O-CB 3.26Å; Q405-S409 WeakPolarHBondContact O-CB 3.26Å; Q405-S409 PolarHBondContact O-N 2.78Å; Q405-S409 PolarHBondContact O-OG 3.11Å; F406-S409 PolarHBondContact O-N 2.89Å; S409-F411 WeakPolarHBondContact O-CD2 3.46Å; S409-F411 VanDerWaalsContact O-CE2 3.23Å; S409-F411 WeakPolarHBondContact O-CE2 3.48Å
410A95.4Very high95.4Very high2 Ų239.5 Ų39.52%0.01722%0.215CC..  trans-67.1134.8178.100000111.6F406 L413 N438 I441F406-A410 WeakPolarHBondContact O-CB 3.45Å; F406-A410 PolarHBondContact O-N 2.56Å; A410-L413 HydrophobicContact CB-CD1 3.43Å; A410-L413 VanDerWaalsContact CB-CD1 3.43Å; A410-L413 HydrophobicContact CB-CG 3.82Å; A410-N438 PolarHBondContact O-ND2 3.19Å; A410-I441 HydrophobicContact CB-CD1 4.32Å
411F94.6Very high95.4Very high110 Ų11037.9 Ų37.948%0.48221%0.207SC..SBendtrans-97-37.9-175.5-74.8-94.2000113.5C378 S409 H440C378-F411 PolarHBondContact O-N 2.89Å; S409-F411 WeakPolarHBondContact O-CD2 3.46Å; S409-F411 VanDerWaalsContact O-CE2 3.23Å; S409-F411 WeakPolarHBondContact O-CE2 3.48Å; F411-H440 HydrophobicContact CD1-CB 4.33Å; F411-H440 AromaticContact CD1-CD2 3.62Å; F411-H440 AromaticContact CD1-CG 3.71Å; F411-H440 AromaticContact CD1-ND1 3.95Å; F411-H440 AromaticContact CD1-NE2 3.86Å; F411-H440 AromaticContact CE1-CD2 3.51Å; F411-H440 AromaticContact CE1-CE1 3.56Å; F411-H440 AromaticContact CE1-CG 3.95Å; F411-H440 AromaticContact CE1-ND1 3.96Å; F411-H440 AromaticContact CE1-NE2 3.27Å; F411-H440 VanDerWaalsContact CE1-NE2 3.27Å; F411-H440 WeakPolarHBondContact CE1-NE2 3.37Å; F411-H440 AromaticContact CZ-NE2 3.81Å
412S95.3Very high95.3Very high49 Ų4940.3 Ų40.334%0.34321%0.209SC..SBendtrans-114.72.3-162.7-58.90000114.6A379 L381 S382 T414A379-S412 PolarHBondContact O-OG 2.79Å; L381-S412 CarbonylContact O-C 3.43Å; S382-S412 VanDerWaalsContact CA-O 3.25Å; S382-S412 WeakPolarHBondContact CA-O 3.49Å; S382-S412 VanDerWaalsContact CB-O 3.31Å; S382-S412 WeakPolarHBondContact CB-O 3.08Å; S412-T414 PolarHBondContact O-N 2.67Å
413L96.5Very high95.1Very high5 Ų538 Ų383%0.02620%0.197CC..  trans-60.5124-175.4-75.6175.2000112.1L381 L384 F406 F407 A410 V416 I441 L444L381-L413 HydrophobicContact CD2-CD2 4.48Å; L381-L413 HydrophobicContact CG-CD2 4.37Å; L381-L413 WeakPolarHBondContact O-CD2 3.07Å; L381-L413 PolarHBondContact O-N 2.84Å; L384-L413 HydrophobicContact CB-CD2 4.46Å; F406-L413 HydrophobicContact CE1-CD1 3.8Å; F406-L413 HydrophobicContact CZ-CD1 4.1Å; F407-L413 HydrophobicContact CD1-CD1 4.12Å; F407-L413 HydrophobicContact CE1-CD1 4.12Å; A410-L413 HydrophobicContact CB-CD1 3.43Å; A410-L413 VanDerWaalsContact CB-CD1 3.43Å; A410-L413 HydrophobicContact CB-CG 3.82Å; L413-V416 HydrophobicContact CD1-CG2 4.18Å; L413-V416 HydrophobicContact CD2-CG2 4.02Å; L413-I441 HydrophobicContact CB-CD1 3.89Å; L413-I441 HydrophobicContact CB-CG1 4.39Å; L413-I441 HydrophobicContact CD1-CD1 4.21Å; L413-L444 HydrophobicContact CB-CD1 4.35Å
414T95.8Very high95Very high71 Ų7139.3 Ų39.344%0.43621%0.206SC..  trans-121.2-24.6175.354.10000111.9S382 S412 H445S382-T414 PolarHBondContact O-N 3.31Å; S382-T414 PolarHBondContact O-OG1 2.85Å; S382-T414 VanDerWaalsContact O-OG1 3.07Å; S412-T414 PolarHBondContact O-N 2.67Å; T414-H445 PolarHBondContact O-N 3.15Å
415H97.2Very high94.8Very high36 Ų3635 Ų3517%0.16720%0.195CC..EExtended strand (participates in β ladder)trans-140.1127.3178.7-177.590.3000111.7S382 F383 L384 H445S382-H415 PolarHBondContact O-N 3Å; F383-H415 HydrophobicContact CD2-CB 3.5Å; F383-H415 AromaticContact CD2-CD2 3.41Å; F383-H415 VanDerWaalsContact CD2-CD2 3.41Å; F383-H415 WeakPolarHBondContact CD2-CD2 3.41Å; F383-H415 AromaticContact CD2-CG 3.51Å; F383-H415 HydrophobicContact CE2-CB 3.99Å; F383-H415 AromaticContact CE2-CD2 3.08Å; F383-H415 WeakPolarHBondContact CE2-CD2 3.45Å; F383-H415 AromaticContact CE2-CG 3.45Å; F383-H415 VanDerWaalsContact CE2-CG 3.45Å; F383-H415 AromaticContact CE2-NE2 3.57Å; F383-H415 HydrophobicContact CG-CB 4.24Å; F383-H415 AromaticContact CZ-CD2 3.51Å; F383-H415 AromaticContact CZ-NE2 3.76Å; L384-H415 PolarHBondContact N-O 2.58Å; H415-H445 WeakPolarHBondContact CA-O 3.32Å; H415-H445 AromaticContact CE1-CD2 3.32Å; H415-H445 PolarHBondContact CE1-CD2 3.37Å; H415-H445 AromaticContact CE1-NE2 3.83Å; H415-H445 AromaticContact ND1-CD2 3.18Å; H415-H445 PolarHBondContact ND1-CD2 2.88Å; H415-H445 AromaticContact ND1-CG 3.74Å
416V97.6Very high94.6Very high1 Ų134 Ų341%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-135119173.5176.20000108.9L384 F407 L413 F418 L444 H445 L446 D447L384-V416 HydrophobicContact CB-CG2 4.47Å; L384-V416 CarbonylContact O-C 3.43Å; L384-V416 VanDerWaalsContact O-CA 3.28Å; L384-V416 WeakPolarHBondContact O-CA 3.5Å; F407-V416 HydrophobicContact CE1-CG1 4.18Å; F407-V416 HydrophobicContact CE1-CG2 4.05Å; F407-V416 HydrophobicContact CZ-CG1 4.16Å; L413-V416 HydrophobicContact CD1-CG2 4.18Å; L413-V416 HydrophobicContact CD2-CG2 4.02Å; V416-F418 HydrophobicContact CG1-CD2 3.99Å; V416-F418 HydrophobicContact CG1-CE2 3.48Å; V416-F418 VanDerWaalsContact CG1-CE2 3.48Å; V416-F418 HydrophobicContact CG1-CZ 3.96Å; V416-L444 HydrophobicContact CB-CD1 4.29Å; V416-L444 HydrophobicContact CG2-CD1 3.87Å; V416-H445 PolarHBondContact N-O 2.99Å; V416-L446 HydrophobicContact CB-CD1 4.24Å; V416-L446 HydrophobicContact CG1-CD1 4.12Å; V416-L446 WeakPolarHBondContact O-CA 3.47Å; V416-D447 PolarHBondContact O-N 3.39Å
417S97.2Very high94.5Very high4 Ų433.9 Ų33.93%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-116.8124.7174.6-177.70000112.3L384 L386 S387 A419 D447L384-S417 PolarHBondContact O-N 2.87Å; L386-S417 PolarHBondContact N-O 3.06Å; S387-S417 PolarHBondContact N-O 3.46Å; S417-A419 WeakPolarHBondContact OG-CB 3.06Å; S417-A419 PolarHBondContact OG-N 3.4Å; S417-D447 PolarHBondContact OG-OD2 3.43Å
418F96.3Very high94.4Very high0 Ų034 Ų340%019%0.193CC..  trans-109.120.3166.2-62.9-70.5000111.2V366 F370 L386 F407 V416 M421 V431 L446 D447 I448 C451V366-F418 HydrophobicContact CG1-CE1 4.41Å; F370-F418 HydrophobicContact CE2-CE1 4.33Å; F370-F418 HydrophobicContact CZ-CE1 4.1Å; F370-F418 AromaticContact CZ-CZ 3.93Å; F370-F418 HydrophobicContact CZ-CZ 3.93Å; L386-F418 HydrophobicContact CB-CD1 4.41Å; L386-F418 HydrophobicContact CD1-CE1 4.02Å; F407-F418 HydrophobicContact CE2-CZ 4.27Å; F407-F418 HydrophobicContact CZ-CE2 4.13Å; F407-F418 AromaticContact CZ-CZ 3.88Å; F407-F418 HydrophobicContact CZ-CZ 3.88Å; V416-F418 HydrophobicContact CG1-CD2 3.99Å; V416-F418 HydrophobicContact CG1-CE2 3.48Å; V416-F418 VanDerWaalsContact CG1-CE2 3.48Å; V416-F418 HydrophobicContact CG1-CZ 3.96Å; F418-M421 VanDerWaalsContact CA-CE 3.45Å; F418-M421 HydrophobicContact CB-CE 3.9Å; F418-M421 HydrophobicContact CB-CG 4.36Å; F418-M421 HydrophobicContact CB-SD 3.81Å; F418-M421 HydrophobicContact CD1-CE 3.95Å; F418-M421 HydrophobicContact CD1-SD 3.71Å; F418-M421 HydrophobicContact CG-CE 4.44Å; F418-M421 HydrophobicContact CG-SD 4.22Å; F418-M421 WeakPolarHBondContact O-CE 3.11Å; F418-M421 WeakPolarHBondContact O-CG 3.24Å; F418-V431 HydrophobicContact CE2-CG1 4.44Å; F418-V431 HydrophobicContact CE2-CG2 4.35Å; F418-V431 HydrophobicContact CZ-CG2 4.42Å; F418-L446 HydrophobicContact CD2-CD1 4.27Å; F418-L446 HydrophobicContact CE2-CD1 4.4Å; F418-D447 PolarHBondContact N-O 3.34Å; F418-I448 HydrophobicContact CB-CG2 4.32Å; F418-I448 HydrophobicContact CD2-CG2 4.11Å; F418-C451 PolarHBondContact O-SG 3.37Å
419A93.4Very high94.3Very high9 Ų936.6 Ų36.67%0.07420%0.198CC..THydrogen-bonded Turntrans-55.3146.8-171.600000114S387 K388 S417 M421 D447 S449S387-A419 CarbonylContact C-O 3.5Å; S387-A419 WeakPolarHBondContact CA-O 3.45Å; S387-A419 WeakPolarHBondContact CB-O 3.31Å; K388-A419 PolarHBondContact N-O 3.39Å; S417-A419 WeakPolarHBondContact OG-CB 3.06Å; S417-A419 PolarHBondContact OG-N 3.4Å; A419-M421 VanDerWaalsContact C-N 3.26Å; A419-M421 PolarHBondContact O-N 2.96Å; A419-D447 WeakPolarHBondContact CB-OD2 3.27Å; A419-S449 CarbonylContact C-O 3.59Å; A419-S449 WeakPolarHBondContact CA-O 3.15Å; A419-S449 VanDerWaalsContact CB-OG 3.28Å; A419-S449 WeakPolarHBondContact CB-OG 3.11Å
420S92.6Very high94.3Very high64 Ų6434.6 Ų34.645%0.44819%0.185SC..THydrogen-bonded Turntrans55.535.3172.1-550000114.2S449 G450S420-S449 PolarHBondContact N-O 3.5Å; S420-G450 WeakPolarHBondContact CA-O 3.36Å
421M92.1Very high94.3Very high5 Ų534.6 Ų34.63%0.02519%0.185CC..SBendtrans-126.1148.1172.279.9-175.553.600111.5V366 L386 N389 F391 F418 A419 L423 C451V366-M421 HydrophobicContact CG2-SD 4.47Å; L386-M421 VanDerWaalsContact C-CE 3.45Å; L386-M421 HydrophobicContact CB-CE 4.2Å; L386-M421 WeakPolarHBondContact O-CE 3.16Å; N389-M421 VanDerWaalsContact O-CB 3.26Å; N389-M421 WeakPolarHBondContact O-CB 3.18Å; F391-M421 HydrophobicContact CD2-SD 4.41Å; F391-M421 HydrophobicContact CE2-CG 4.1Å; F391-M421 HydrophobicContact CE2-SD 3.49Å; F391-M421 WeakPolarHBondContact CE2-SD 3.23Å; F391-M421 HydrophobicContact CZ-SD 4.02Å; F418-M421 VanDerWaalsContact CA-CE 3.45Å; F418-M421 HydrophobicContact CB-CE 3.9Å; F418-M421 HydrophobicContact CB-CG 4.36Å; F418-M421 HydrophobicContact CB-SD 3.81Å; F418-M421 HydrophobicContact CD1-CE 3.95Å; F418-M421 HydrophobicContact CD1-SD 3.71Å; F418-M421 HydrophobicContact CG-CE 4.44Å; F418-M421 HydrophobicContact CG-SD 4.22Å; F418-M421 WeakPolarHBondContact O-CE 3.11Å; F418-M421 WeakPolarHBondContact O-CG 3.24Å; A419-M421 VanDerWaalsContact C-N 3.26Å; A419-M421 PolarHBondContact O-N 2.96Å; M421-L423 PolarHBondContact O-N 3.03Å; M421-C451 CarbonylContact O-C 3.35Å; M421-C451 WeakPolarHBondContact O-CA 3.4Å
422K91.1Very high94.3Very high124 Ų12429.4 Ų29.454%0.53916%0.162SC..  trans-69.894174.1-175.8178.5178.3179.10110.7F391 P424F391-K422 WeakPolarHBondContact CD2-O 3.25Å; K422-P424 VanDerWaalsContact O-CD 3.29Å; K422-P424 WeakPolarHBondContact O-CD 3.36Å
423L91.4Very high94.3Very high4 Ų428.4 Ų28.42%0.02116%0.155CC..  trans-84.9113.7-176.5-173.960.7000110.7F391 M421 V427 L428 I448 C451 L453F391-L423 HydrophobicContact CE2-CD1 3.58Å; F391-L423 HydrophobicContact CZ-CD1 3.5Å; M421-L423 PolarHBondContact O-N 3.03Å; L423-V427 HydrophobicContact CD1-CB 4.16Å; L423-V427 HydrophobicContact CD1-CG1 3.8Å; L423-L428 HydrophobicContact CD2-CB 4.1Å; L423-L428 HydrophobicContact CD2-CD1 4.07Å; L423-L428 HydrophobicContact CG-CB 4.35Å; L423-I448 HydrophobicContact CD2-CG2 4.04Å; L423-C451 HydrophobicContact CB-CB 3.86Å; L423-C451 PolarHBondContact N-O 3.46Å; L423-C451 VanDerWaalsContact N-O 3.08Å; L423-L453 HydrophobicContact CB-CD2 4.21Å; L423-L453 HydrophobicContact CD2-CD2 4.16Å; L423-L453 HydrophobicContact CG-CD2 4.44Å
424P92.4Very high94.2Very high29 Ų2928.1 Ų28.119%0.18815%0.153CC..  trans-63.7138178.1-21.334000111.3F391 V396 K422 D426 V427 L428F391-P424 HydrophobicContact CB-CG 4.34Å; F391-P424 VanDerWaalsContact CD2-CD 3.48Å; F391-P424 HydrophobicContact CD2-CG 4.22Å; F391-P424 HydrophobicContact CG-CG 4.17Å; V396-P424 HydrophobicContact CG1-CG 4.45Å; K422-P424 VanDerWaalsContact O-CD 3.29Å; K422-P424 WeakPolarHBondContact O-CD 3.36Å; P424-D426 PolarHBondContact O-N 2.9Å; P424-D426 VanDerWaalsContact O-N 3.16Å; P424-V427 HydrophobicContact CB-CB 4.37Å; P424-V427 HydrophobicContact CB-CG2 3.98Å; P424-V427 HydrophobicContact CG-CG2 3.97Å; P424-V427 WeakPolarHBondContact O-CB 3.04Å; P424-V427 PolarHBondContact O-N 3.32Å; P424-L428 PolarHBondContact O-N 3.15Å
425P91.2Very high94.1Very high42 Ų4224.8 Ų24.827%0.27313%0.133SC..Hα-helixtrans-56.4-33.6180-27.434.6000114.1L428 R429 A456 V460P425-L428 PolarHBondContact O-N 3.32Å; P425-R429 WeakPolarHBondContact O-CB 3.14Å; P425-R429 PolarHBondContact O-N 2.76Å; P425-A456 HydrophobicContact CB-CB 4.15Å; P425-A456 HydrophobicContact CG-CB 3.65Å; P425-V460 HydrophobicContact CB-CG2 4.32Å
426D92.4Very high93.9Very high76 Ų7625.1 Ų25.141%0.40614%0.138SC..Hα-helixtrans-68.4-34.9176.9-62.7-37.3000112.4L400 P424 R429 A430L400-D426 HydrophobicContact CD1-CB 3.96Å; L400-D426 HydrophobicContact CD2-CB 4.06Å; P424-D426 PolarHBondContact O-N 2.9Å; P424-D426 VanDerWaalsContact O-N 3.16Å; D426-R429 PolarHBondContact O-N 3.23Å; D426-R429 IonicContact OD1-NH1 3.94Å; D426-A430 PolarHBondContact O-N 2.94Å
427V94.3Very high93.6Very high0 Ų028.7 Ų28.70%016%0.159CC..Hα-helixtrans-68.2-48.2174176.70000109.5F391 V396 L400 F403 L423 P424 R429 A430 V431F391-V427 HydrophobicContact CD1-CG2 4.35Å; F391-V427 HydrophobicContact CE1-CB 4.47Å; F391-V427 HydrophobicContact CE1-CG1 3.84Å; F391-V427 HydrophobicContact CE1-CG2 4.09Å; F391-V427 HydrophobicContact CZ-CG1 3.91Å; V396-V427 HydrophobicContact CG1-CG2 3.46Å; V396-V427 VanDerWaalsContact CG1-CG2 3.46Å; L400-V427 HydrophobicContact CD2-CB 4.48Å; L400-V427 HydrophobicContact CD2-CG2 3.86Å; F403-V427 HydrophobicContact CD1-CG1 3.91Å; F403-V427 HydrophobicContact CE1-CG1 3.79Å; F403-V427 HydrophobicContact CG-CG1 4.32Å; F403-V427 HydrophobicContact CZ-CG1 4.15Å; L423-V427 HydrophobicContact CD1-CB 4.16Å; L423-V427 HydrophobicContact CD1-CG1 3.8Å; P424-V427 HydrophobicContact CB-CB 4.37Å; P424-V427 HydrophobicContact CB-CG2 3.98Å; P424-V427 HydrophobicContact CG-CG2 3.97Å; P424-V427 WeakPolarHBondContact O-CB 3.04Å; P424-V427 PolarHBondContact O-N 3.32Å; V427-R429 PolarHBondContact O-N 2.92Å; V427-A430 WeakPolarHBondContact O-CA 3.32Å; V427-A430 WeakPolarHBondContact O-CB 3.41Å; V427-A430 PolarHBondContact O-N 2.94Å; V427-V431 HydrophobicContact CG1-CG2 4.32Å; V427-V431 WeakPolarHBondContact O-CG2 3.29Å; V427-V431 PolarHBondContact O-N 3.04Å
428L93.7Very high93.5Very high1 Ų128.7 Ų28.71%0.00516%0.159CC..Hα-helixtrans-55.6-42.2175.4178.861.7000111.4L423 P424 P425 A430 V431 L432 I448 L453 V460 I461L423-L428 HydrophobicContact CD2-CB 4.1Å; L423-L428 HydrophobicContact CD2-CD1 4.07Å; L423-L428 HydrophobicContact CG-CB 4.35Å; P424-L428 PolarHBondContact O-N 3.15Å; P425-L428 PolarHBondContact O-N 3.32Å; L428-A430 PolarHBondContact O-N 3.16Å; L428-V431 PolarHBondContact O-N 3.4Å; L428-L432 HydrophobicContact CD1-CD1 4.11Å; L428-L432 HydrophobicContact CD1-CD2 4.47Å; L428-L432 HydrophobicContact CD1-CG 4.02Å; L428-L432 HydrophobicContact CG-CD1 4.19Å; L428-L432 HydrophobicContact CG-CG 4.42Å; L428-L432 WeakPolarHBondContact O-CG 3.41Å; L428-L432 PolarHBondContact O-N 3.08Å; L428-I448 HydrophobicContact CD1-CD1 4.1Å; L428-L453 HydrophobicContact CD2-CD1 4.25Å; L428-L453 HydrophobicContact CD2-CD2 3.68Å; L428-V460 HydrophobicContact CB-CG1 4.46Å; L428-V460 HydrophobicContact CD2-CB 4.35Å; L428-V460 HydrophobicContact CD2-CG1 4.26Å; L428-V460 HydrophobicContact CG-CG1 4.01Å; L428-I461 HydrophobicContact CD2-CD1 4.13Å; L428-I461 HydrophobicContact CD2-CG1 3.84Å
429R94.8Very high93.2Very high86 Ų8633.4 Ų33.433%0.32519%0.19SC..Hα-helixtrans-59.3-45.1174.5173171.4-74.6113.3-4.4111.5P425 D426 V427 S433 V460 E463 L464P425-R429 WeakPolarHBondContact O-CB 3.14Å; P425-R429 PolarHBondContact O-N 2.76Å; D426-R429 PolarHBondContact O-N 3.23Å; D426-R429 IonicContact OD1-NH1 3.94Å; V427-R429 PolarHBondContact O-N 2.92Å; R429-S433 WeakPolarHBondContact O-CB 3.44Å; R429-S433 PolarHBondContact O-N 2.69Å; R429-S433 PolarHBondContact O-OG 2.75Å; R429-V460 HydrophobicContact CB-CG1 3.79Å; R429-V460 HydrophobicContact CB-CG2 4.43Å; R429-E463 IonicContact CZ-OE2 2.97Å; R429-E463 IonicContact NE-OE2 3.81Å; R429-E463 IonicContact NH2-OE2 3.97Å; R429-E463 PolarHBondContact NH2-OE2 2.89Å; R429-L464 HydrophobicContact CB-CD1 4.37Å; R429-L464 HydrophobicContact CG-CD1 3.87Å
430A95.6Very high93.2Very high9 Ų937.4 Ų37.47%0.07421%0.206CC..Hα-helixtrans-63.4-42.9177.900000112.4L400 F403 R404 D426 V427 L428 S433 G434L400-A430 HydrophobicContact CD2-CB 4.38Å; F403-A430 HydrophobicContact CB-CB 3.98Å; R404-A430 HydrophobicContact CB-CB 4.44Å; D426-A430 PolarHBondContact O-N 2.94Å; V427-A430 WeakPolarHBondContact O-CA 3.32Å; V427-A430 WeakPolarHBondContact O-CB 3.41Å; V427-A430 PolarHBondContact O-N 2.94Å; L428-A430 PolarHBondContact O-N 3.16Å; A430-S433 PolarHBondContact O-N 3.21Å; A430-G434 PolarHBondContact O-N 3.3Å
431V95.6Very high93.2Very high2 Ų234.7 Ų34.71%0.01219%0.187CC..Hα-helixtrans-60.1-56.1176.5175.50000110.9F403 F407 F418 V427 L428 S433 G434 L435F403-V431 HydrophobicContact CD1-CG2 4.35Å; F407-V431 HydrophobicContact CD1-CG1 4.39Å; F407-V431 HydrophobicContact CD2-CB 4.11Å; F407-V431 HydrophobicContact CD2-CG1 3.9Å; F407-V431 HydrophobicContact CD2-CG2 3.89Å; F407-V431 HydrophobicContact CE1-CG1 4.29Å; F407-V431 HydrophobicContact CE2-CB 4.14Å; F407-V431 HydrophobicContact CE2-CG1 3.83Å; F407-V431 HydrophobicContact CE2-CG2 3.56Å; F407-V431 HydrophobicContact CG-CG1 4.21Å; F407-V431 HydrophobicContact CZ-CG1 4.03Å; F407-V431 HydrophobicContact CZ-CG2 4.33Å; F418-V431 HydrophobicContact CE2-CG1 4.44Å; F418-V431 HydrophobicContact CE2-CG2 4.35Å; F418-V431 HydrophobicContact CZ-CG2 4.42Å; V427-V431 HydrophobicContact CG1-CG2 4.32Å; V427-V431 WeakPolarHBondContact O-CG2 3.29Å; V427-V431 PolarHBondContact O-N 3.04Å; L428-V431 PolarHBondContact O-N 3.4Å; V431-S433 VanDerWaalsContact C-N 3.3Å; V431-S433 PolarHBondContact O-N 3.37Å; V431-G434 PolarHBondContact O-N 3.13Å; V431-L435 HydrophobicContact CG1-CD1 4.04Å; V431-L435 WeakPolarHBondContact O-CG 3.18Å; V431-L435 PolarHBondContact O-N 3.29Å
432L94.3Very high92.9Very high1 Ų139.7 Ų39.71%0.00522%0.218CC..Hα-helixtrans-63.8-36.1-179-63.4-177.5000112L428 L435 T436 L446 V460 I461 L464 F465 V468L428-L432 HydrophobicContact CD1-CD1 4.11Å; L428-L432 HydrophobicContact CD1-CD2 4.47Å; L428-L432 HydrophobicContact CD1-CG 4.02Å; L428-L432 HydrophobicContact CG-CD1 4.19Å; L428-L432 HydrophobicContact CG-CG 4.42Å; L428-L432 WeakPolarHBondContact O-CG 3.41Å; L428-L432 PolarHBondContact O-N 3.08Å; L432-L435 PolarHBondContact O-N 2.96Å; L432-T436 WeakPolarHBondContact O-CB 3.23Å; L432-T436 PolarHBondContact O-N 3.07Å; L432-T436 PolarHBondContact O-OG1 3.3Å; L432-L446 HydrophobicContact CD2-CD2 4.08Å; L432-V460 HydrophobicContact CD1-CG1 4.24Å; L432-I461 HydrophobicContact CD1-CG1 4.36Å; L432-L464 HydrophobicContact CB-CB 4.08Å; L432-L464 HydrophobicContact CB-CD1 4.16Å; L432-L464 HydrophobicContact CD1-CB 4.22Å; L432-F465 HydrophobicContact CD2-CD2 4.21Å; L432-V468 HydrophobicContact CB-CG2 4.17Å; L432-V468 HydrophobicContact CD2-CG2 4.27Å
433S94.4Very high92.8Very high27 Ų2739 Ų3919%0.18922%0.22CC..Hα-helixtrans-64.9-41.4175.3-61.40000112R429 A430 V431 T436 T437R429-S433 WeakPolarHBondContact O-CB 3.44Å; R429-S433 PolarHBondContact O-N 2.69Å; R429-S433 PolarHBondContact O-OG 2.75Å; A430-S433 PolarHBondContact O-N 3.21Å; V431-S433 VanDerWaalsContact C-N 3.3Å; V431-S433 PolarHBondContact O-N 3.37Å; S433-T436 PolarHBondContact O-N 3.45Å; S433-T437 PolarHBondContact O-N 2.87Å; S433-T437 PolarHBondContact O-OG1 3.04Å
434G95.2Very high92.9Very high0 Ų038.8 Ų38.80%022%0.219CC..Hα-helixtrans-62.8-47.3175.200000111.7R404 S408 A430 V431 T436 T437 N438R404-G434 WeakPolarHBondContact O-CA 3.35Å; S408-G434 WeakPolarHBondContact CA-O 3.45Å; A430-G434 PolarHBondContact O-N 3.3Å; V431-G434 PolarHBondContact O-N 3.13Å; G434-T436 VanDerWaalsContact C-N 3.3Å; G434-T436 PolarHBondContact O-N 3.44Å; G434-T437 CarbonylContact O-C 3.6Å; G434-T437 PolarHBondContact O-N 3.42Å; G434-T437 VanDerWaalsContact O-N 3.07Å; G434-T437 PolarHBondContact O-OG1 3.01Å; G434-N438 PolarHBondContact O-N 3.43Å
435L94.3Very high92.9Very high0 Ų039.9 Ų39.90%022%0.221CC..Hα-helixtrans-62.5-32.4177.1-71.1176.2000113.7F407 V431 L432 T437 N438 I441 L444 L446 V468 S470 V471F407-L435 HydrophobicContact CB-CD2 4.23Å; F407-L435 HydrophobicContact CB-CG 4.19Å; F407-L435 HydrophobicContact CD1-CD2 3.86Å; F407-L435 HydrophobicContact CD1-CG 4.18Å; F407-L435 HydrophobicContact CG-CD2 4.42Å; F407-L435 HydrophobicContact CG-CG 4.39Å; V431-L435 HydrophobicContact CG1-CD1 4.04Å; V431-L435 WeakPolarHBondContact O-CG 3.18Å; V431-L435 PolarHBondContact O-N 3.29Å; L432-L435 PolarHBondContact O-N 2.96Å; L435-T437 VanDerWaalsContact C-N 3.27Å; L435-T437 PolarHBondContact O-N 2.71Å; L435-N438 PolarHBondContact O-N 3.31Å; L435-I441 HydrophobicContact CD2-CD1 4.06Å; L435-L444 HydrophobicContact CD1-CD2 3.87Å; L435-L444 HydrophobicContact CD2-CD2 3.57Å; L435-L444 HydrophobicContact CG-CD2 4.4Å; L435-L446 HydrophobicContact CD1-CD2 4.3Å; L435-V468 HydrophobicContact CB-CG1 3.97Å; L435-S470 PolarHBondContact O-OG 3.39Å; L435-S470 VanDerWaalsContact O-OG 3.11Å; L435-V471 HydrophobicContact CD1-CG2 4.11Å
436T92.1Very high93Very high44 Ų4437.9 Ų37.927%0.2721%0.208SC..Hα-helixtrans-65.4-33.5174.5-59.70000111.6L432 S433 G434 R467 V468L432-T436 WeakPolarHBondContact O-CB 3.23Å; L432-T436 PolarHBondContact O-N 3.07Å; L432-T436 PolarHBondContact O-OG1 3.3Å; S433-T436 PolarHBondContact O-N 3.45Å; G434-T436 VanDerWaalsContact C-N 3.3Å; G434-T436 PolarHBondContact O-N 3.44Å; T436-R467 HydrophobicContact CG2-CB 3.74Å; T436-V468 WeakPolarHBondContact OG1-CG2 3.23Å
437T92.4Very high93Very high75 Ų7535.3 Ų35.346%0.4620%0.195SC..THydrogen-bonded Turntrans-91.5-1.4-179.653.40000113.8S408 S433 G434 L435 P439S408-T437 WeakPolarHBondContact CB-OG1 3.37Å; S433-T437 PolarHBondContact O-N 2.87Å; S433-T437 PolarHBondContact O-OG1 3.04Å; G434-T437 CarbonylContact O-C 3.6Å; G434-T437 PolarHBondContact O-N 3.42Å; G434-T437 VanDerWaalsContact O-N 3.07Å; G434-T437 PolarHBondContact O-OG1 3.01Å; L435-T437 VanDerWaalsContact C-N 3.27Å; L435-T437 PolarHBondContact O-N 2.71Å; T437-P439 WeakPolarHBondContact O-CD 3.43Å
438N93.1Very high92.8Very high5 Ų535.4 Ų35.43%0.02720%0.195CC..  trans-86.2119.3-176.3-169.2-53.2000110.8F407 S408 A410 G434 L435 H440 I441F407-N438 WeakPolarHBondContact O-CB 3.25Å; F407-N438 PolarHBondContact O-ND2 3.26Å; S408-N438 PolarHBondContact O-ND2 3.2Å; A410-N438 PolarHBondContact O-ND2 3.19Å; G434-N438 PolarHBondContact O-N 3.43Å; L435-N438 PolarHBondContact O-N 3.31Å; N438-H440 WeakPolarHBondContact OD1-CA 3.14Å; N438-H440 PolarHBondContact OD1-N 3.36Å; N438-I441 VanDerWaalsContact ND2-CD1 3.28Å; N438-I441 WeakPolarHBondContact ND2-CD1 3.44Å; N438-I441 PolarHBondContact OD1-N 3.22Å
439P91.1Very high92.6Very high99 Ų9936.2 Ų36.264%0.64320%0.201SC*.SBendtrans-88.6-9.7-179.835.6-34.9000114.1T437T437-P439 WeakPolarHBondContact O-CD 3.43Å
440H93.3Very high92.3Very high92 Ų9232.9 Ų32.943%0.42619%0.193SC..SBendtrans-97-36.6-170-58.6-58.4000112.9F411 N438F411-H440 HydrophobicContact CD1-CB 4.33Å; F411-H440 AromaticContact CD1-CD2 3.62Å; F411-H440 AromaticContact CD1-CG 3.71Å; F411-H440 AromaticContact CD1-ND1 3.95Å; F411-H440 AromaticContact CD1-NE2 3.86Å; F411-H440 AromaticContact CE1-CD2 3.51Å; F411-H440 AromaticContact CE1-CE1 3.56Å; F411-H440 AromaticContact CE1-CG 3.95Å; F411-H440 AromaticContact CE1-ND1 3.96Å; F411-H440 AromaticContact CE1-NE2 3.27Å; F411-H440 VanDerWaalsContact CE1-NE2 3.27Å; F411-H440 WeakPolarHBondContact CE1-NE2 3.37Å; F411-H440 AromaticContact CZ-NE2 3.81Å; N438-H440 WeakPolarHBondContact OD1-CA 3.14Å; N438-H440 PolarHBondContact OD1-N 3.36Å
441I92.4Very high92Very high7 Ų732.4 Ų32.44%0.03619%0.19CC..  trans-81.7131.1-175.8-57.8170.3000110.6A410 L413 L435 N438 L444 S470A410-I441 HydrophobicContact CB-CD1 4.32Å; L413-I441 HydrophobicContact CB-CD1 3.89Å; L413-I441 HydrophobicContact CB-CG1 4.39Å; L413-I441 HydrophobicContact CD1-CD1 4.21Å; L435-I441 HydrophobicContact CD2-CD1 4.06Å; N438-I441 VanDerWaalsContact ND2-CD1 3.28Å; N438-I441 WeakPolarHBondContact ND2-CD1 3.44Å; N438-I441 PolarHBondContact OD1-N 3.22Å; I441-L444 HydrophobicContact CG2-CB 3.64Å; I441-L444 HydrophobicContact CG2-CD2 4.43Å; I441-S470 WeakPolarHBondContact O-CA 3.46Å; I441-S470 WeakPolarHBondContact O-CB 3.14Å
442T86.1Confident91.6Very high110 Ų11036.9 Ų36.968%0.67521%0.21SC*.  trans-132.6-20.1-177.951.90000115.5S470T442-S470 CarbonylContact C-O 3.43Å; T442-S470 VanDerWaalsContact C-O 3.31Å
443D88.4Confident91Very high110 Ų11037 Ų3759%0.58821%0.211SC*.SBendtrans-133.750.2-175.8-165.525000112S470 A472D443-S470 PolarHBondContact N-O 2.91Å; D443-A472 HydrophobicContact CB-CB 4.45Å; D443-A472 WeakPolarHBondContact OD1-CB 3.13Å
444L92.9Very high90.5Very high0 Ų042.6 Ų42.60%023%0.228CC..EExtended strand (participates in β ladder)trans-80128-178.1178.463.3000111.6L413 V416 L435 I441 S470 V471 A472 T473L413-L444 HydrophobicContact CB-CD1 4.35Å; V416-L444 HydrophobicContact CB-CD1 4.29Å; V416-L444 HydrophobicContact CG2-CD1 3.87Å; L435-L444 HydrophobicContact CD1-CD2 3.87Å; L435-L444 HydrophobicContact CD2-CD2 3.57Å; L435-L444 HydrophobicContact CG-CD2 4.4Å; I441-L444 HydrophobicContact CG2-CB 3.64Å; I441-L444 HydrophobicContact CG2-CD2 4.43Å; L444-S470 WeakPolarHBondContact CB-O 3.39Å; L444-S470 PolarHBondContact N-O 3.14Å; L444-V471 HydrophobicContact CB-CG2 4.43Å; L444-V471 HydrophobicContact CD2-CG2 4.07Å; L444-V471 HydrophobicContact CG-CG2 4.45Å; L444-V471 WeakPolarHBondContact O-CA 3.15Å; L444-A472 PolarHBondContact O-N 2.88Å; L444-T473 PolarHBondContact O-N 2.72Å; L444-T473 VanDerWaalsContact O-N 3.1Å
445H92.3Very high89.9Confident51 Ų5145.6 Ų45.624%0.23625%0.249CC..EExtended strand (participates in β ladder)trans-85.7110.6159.3-177.793.8000109.5T414 H415 V416 T473T414-H445 PolarHBondContact O-N 3.15Å; H415-H445 WeakPolarHBondContact CA-O 3.32Å; H415-H445 AromaticContact CE1-CD2 3.32Å; H415-H445 PolarHBondContact CE1-CD2 3.37Å; H415-H445 AromaticContact CE1-NE2 3.83Å; H415-H445 AromaticContact ND1-CD2 3.18Å; H415-H445 PolarHBondContact ND1-CD2 2.88Å; H415-H445 AromaticContact ND1-CG 3.74Å; V416-H445 PolarHBondContact N-O 2.99Å; H445-T473 WeakPolarHBondContact CA-O 3.22Å; H445-T473 VanDerWaalsContact ND1-CB 3.31Å; H445-T473 WeakPolarHBondContact ND1-CB 3.38Å; H445-T473 WeakPolarHBondContact ND1-CG2 3.32Å
446L94Very high89.5Confident0 Ų048 Ų480%027%0.269CS..EExtended strand (participates in β ladder)trans-107.6111.9175.4178.661.2000109.7V416 F418 L432 L435 I448 V471 T473 L474 D475V416-L446 HydrophobicContact CB-CD1 4.24Å; V416-L446 HydrophobicContact CG1-CD1 4.12Å; V416-L446 WeakPolarHBondContact O-CA 3.47Å; F418-L446 HydrophobicContact CD2-CD1 4.27Å; F418-L446 HydrophobicContact CE2-CD1 4.4Å; L432-L446 HydrophobicContact CD2-CD2 4.08Å; L435-L446 HydrophobicContact CD1-CD2 4.3Å; L446-I448 HydrophobicContact CD1-CG2 4.05Å; L446-I448 HydrophobicContact CG-CG2 4.14Å; L446-V471 HydrophobicContact CB-CG1 4.17Å; L446-V471 HydrophobicContact CB-CG2 4.28Å; L446-V471 HydrophobicContact CD2-CG2 4.37Å; L446-T473 PolarHBondContact N-O 3.05Å; L446-L474 HydrophobicContact CB-CD1 4.31Å; L446-L474 HydrophobicContact CD2-CD1 4.09Å; L446-L474 HydrophobicContact CG-CD1 4.2Å; L446-L474 WeakPolarHBondContact O-CA 3.28Å; L446-D475 PolarHBondContact O-N 2.81Å
447D92.1Very high89.2Confident22 Ų2245.9 Ų45.912%0.11826%0.256CS..EExtended strand (participates in β ladder)trans-103.2110.817617312.8000110.1V416 S417 F418 A419 S449 D475V416-D447 PolarHBondContact O-N 3.39Å; S417-D447 PolarHBondContact OG-OD2 3.43Å; F418-D447 PolarHBondContact N-O 3.34Å; A419-D447 WeakPolarHBondContact CB-OD2 3.27Å; D447-S449 VanDerWaalsContact OD1-CB 3.22Å; D447-S449 WeakPolarHBondContact OD1-CB 3.39Å; D447-S449 PolarHBondContact OD1-N 2.87Å; D447-S449 PolarHBondContact OD1-OG 2.88Å; D447-D475 HydrophobicContact CB-CB 4.27Å
448I91.6Very high88.7Confident2 Ų242.3 Ų42.31%0.0123%0.234CC..  trans-122.433.2174.155.6176.8000109.9F418 L423 L428 L446 C451 L453 I461 L474 D475 I476 N479F418-I448 HydrophobicContact CB-CG2 4.32Å; F418-I448 HydrophobicContact CD2-CG2 4.11Å; L423-I448 HydrophobicContact CD2-CG2 4.04Å; L428-I448 HydrophobicContact CD1-CD1 4.1Å; L446-I448 HydrophobicContact CD1-CG2 4.05Å; L446-I448 HydrophobicContact CG-CG2 4.14Å; I448-C451 VanDerWaalsContact C-SG 3.53Å; I448-C451 WeakPolarHBondContact O-CB 3.47Å; I448-C451 PolarHBondContact O-SG 3.49Å; I448-C451 VanDerWaalsContact O-SG 3.34Å; I448-L453 HydrophobicContact CD1-CD1 4.06Å; I448-I461 HydrophobicContact CD1-CD1 3.92Å; I448-L474 HydrophobicContact CD1-CD1 4Å; I448-L474 HydrophobicContact CG1-CD1 4.09Å; I448-D475 CarbonylContact C-O 3.59Å; I448-D475 WeakPolarHBondContact CA-O 3.2Å; I448-D475 WeakPolarHBondContact CG1-O 3.47Å; I448-D475 PolarHBondContact N-O 2.8Å; I448-I476 HydrophobicContact CD1-CG2 3.75Å; I448-I476 HydrophobicContact CG1-CG2 3.74Å; I448-N479 PolarHBondContact O-ND2 3.17Å
449S88.7Confident88.3Confident19 Ų1944 Ų4413%0.13325%0.249CC..THydrogen-bonded Turntrans-67.9148177.162.80000112.1A419 S420 D447 C451 D475 S477A419-S449 CarbonylContact C-O 3.59Å; A419-S449 WeakPolarHBondContact CA-O 3.15Å; A419-S449 VanDerWaalsContact CB-OG 3.28Å; A419-S449 WeakPolarHBondContact CB-OG 3.11Å; S420-S449 PolarHBondContact N-O 3.5Å; D447-S449 VanDerWaalsContact OD1-CB 3.22Å; D447-S449 WeakPolarHBondContact OD1-CB 3.39Å; D447-S449 PolarHBondContact OD1-N 2.87Å; D447-S449 PolarHBondContact OD1-OG 2.88Å; S449-C451 PolarHBondContact O-N 2.83Å; S449-C451 VanDerWaalsContact O-N 3.12Å; S449-D475 PolarHBondContact N-O 3.48Å; S449-S477 CarbonylContact C-O 3.53Å; S449-S477 WeakPolarHBondContact CA-O 3.34Å
450G87.6Confident88.2Confident15 Ų1539.4 Ų39.416%0.15522%0.219CC..THydrogen-bonded Turntrans61.624.317600000114.2S420 E452 S477 D478S420-G450 WeakPolarHBondContact CA-O 3.36Å; G450-E452 PolarHBondContact O-N 2.87Å; G450-S477 PolarHBondContact N-O 2.92Å; G450-D478 WeakPolarHBondContact CA-O 3.1Å
451C90Very high87.8Confident0 Ų035.2 Ų35.20%020%0.199CC..  trans-87.93.3-169.1-84.30000115.3F418 M421 L423 I448 S449 L453 N479F418-C451 PolarHBondContact O-SG 3.37Å; M421-C451 CarbonylContact O-C 3.35Å; M421-C451 WeakPolarHBondContact O-CA 3.4Å; L423-C451 HydrophobicContact CB-CB 3.86Å; L423-C451 PolarHBondContact N-O 3.46Å; L423-C451 VanDerWaalsContact N-O 3.08Å; I448-C451 VanDerWaalsContact C-SG 3.53Å; I448-C451 WeakPolarHBondContact O-CB 3.47Å; I448-C451 PolarHBondContact O-SG 3.49Å; I448-C451 VanDerWaalsContact O-SG 3.34Å; S449-C451 PolarHBondContact O-N 2.83Å; S449-C451 VanDerWaalsContact O-N 3.12Å; C451-L453 HydrophobicContact CB-CD2 4.04Å; C451-L453 HydrophobicContact CB-CG 3.91Å; C451-L453 PolarHBondContact O-N 2.94Å; C451-N479 WeakPolarHBondContact CA-OD1 3.12Å; C451-N479 VanDerWaalsContact CB-OD1 3.32Å; C451-N479 WeakPolarHBondContact CB-OD1 3.41Å; C451-N479 PolarHBondContact N-OD1 3.44Å
452E86.6Confident87.3Confident95 Ų9537.6 Ų37.644%0.44421%0.21SC..  trans5036.5-171.4-64.8-168.1-142.800114.2G450 R454 N479G450-E452 PolarHBondContact O-N 2.87Å; E452-R454 WeakPolarHBondContact O-CG 3.47Å; E452-R454 PolarHBondContact O-N 2.93Å; E452-R454 VanDerWaalsContact O-N 3.12Å; E452-R454 IonicContact OE2-CZ 3.16Å; E452-R454 IonicContact OE2-NE 4Å; E452-R454 IonicContact OE2-NH2 3.96Å; E452-R454 PolarHBondContact OE2-NH2 2.88Å; E452-N479 PolarHBondContact N-OD1 3.45Å
453L82.9Confident87.2Confident3 Ų337.1 Ų37.12%0.01620%0.2CC..  trans-57-34.2-174-69.7179.6000114L423 L428 I448 C451 G457 I461 N479L423-L453 HydrophobicContact CB-CD2 4.21Å; L423-L453 HydrophobicContact CD2-CD2 4.16Å; L423-L453 HydrophobicContact CG-CD2 4.44Å; L428-L453 HydrophobicContact CD2-CD1 4.25Å; L428-L453 HydrophobicContact CD2-CD2 3.68Å; I448-L453 HydrophobicContact CD1-CD1 4.06Å; C451-L453 HydrophobicContact CB-CD2 4.04Å; C451-L453 HydrophobicContact CB-CG 3.91Å; C451-L453 PolarHBondContact O-N 2.94Å; L453-G457 WeakPolarHBondContact O-CA 3.26Å; L453-G457 PolarHBondContact O-N 2.95Å; L453-I461 HydrophobicContact CD1-CD1 3.7Å; L453-N479 HydrophobicContact CB-CB 4.19Å; L453-N479 HydrophobicContact CD1-CB 4.3Å; L453-N479 HydrophobicContact CG-CB 4.39Å; L453-N479 WeakPolarHBondContact CG-OD1 2.84Å; L453-N479 PolarHBondContact N-OD1 2.82Å
454R83Confident87.2Confident146 Ų14632.5 Ų32.555%0.55118%0.175SC*.Hα-helixtrans50.3-159.3-177.7-60.9175-165.2-1654.2111.8E452 A456 A458 N479 T481E452-R454 WeakPolarHBondContact O-CG 3.47Å; E452-R454 PolarHBondContact O-N 2.93Å; E452-R454 VanDerWaalsContact O-N 3.12Å; E452-R454 IonicContact OE2-CZ 3.16Å; E452-R454 IonicContact OE2-NE 4Å; E452-R454 IonicContact OE2-NH2 3.96Å; E452-R454 PolarHBondContact OE2-NH2 2.88Å; R454-A456 VanDerWaalsContact C-N 3.34Å; R454-A456 PolarHBondContact O-N 2.77Å; R454-A458 WeakPolarHBondContact O-CB 3.4Å; R454-A458 PolarHBondContact O-N 2.97Å; R454-A458 VanDerWaalsContact O-N 3.1Å; R454-N479 PolarHBondContact N-O 3.32Å; R454-T481 VanDerWaalsContact C-CG2 3.49Å; R454-T481 VanDerWaalsContact C-OG1 3.3Å; R454-T481 VanDerWaalsContact CA-CG2 3.47Å; R454-T481 HydrophobicContact CB-CG2 4.28Å; R454-T481 PolarHBondContact O-OG1 3.35Å; R454-T481 VanDerWaalsContact O-OG1 3.08Å
455S81.9Confident86.8Confident62 Ų6232.7 Ų32.743%0.43418%0.177SC..Hα-helixtrans-67-33-176.251.20000113.2A459S455-A459 PolarHBondContact O-N 3.45Å; S455-A459 VanDerWaalsContact O-N 3.09Å
456A85.9Confident86.4Confident51 Ų5132.4 Ų32.442%0.42118%0.179SC..Hα-helixtrans-68.8-46.9-179.900000111.7P425 R454 A458 A459 V460P425-A456 HydrophobicContact CB-CB 4.15Å; P425-A456 HydrophobicContact CG-CB 3.65Å; R454-A456 VanDerWaalsContact C-N 3.34Å; R454-A456 PolarHBondContact O-N 2.77Å; A456-A458 VanDerWaalsContact C-N 3.35Å; A456-A459 PolarHBondContact O-N 2.91Å; A456-V460 WeakPolarHBondContact O-CG2 3.19Å; A456-V460 PolarHBondContact O-N 3.4Å
457G85.8Confident85.9Confident0 Ų040.4 Ų40.40%021%0.209CC..Hα-helixtrans-66.5-36.2174.900000112.4L453 A459 V460 I461L453-G457 WeakPolarHBondContact O-CA 3.26Å; L453-G457 PolarHBondContact O-N 2.95Å; G457-A459 VanDerWaalsContact C-N 3.33Å; G457-A459 PolarHBondContact O-N 3.28Å; G457-V460 WeakPolarHBondContact O-CB 3.46Å; G457-V460 PolarHBondContact O-N 2.78Å; G457-I461 WeakPolarHBondContact O-CG1 3.5Å; G457-I461 PolarHBondContact O-N 2.94Å
458A82.1Confident85.7Confident0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-58-43.2172.700000112.6R454 A456 V460 I461 Q462 R483 V484R454-A458 WeakPolarHBondContact O-CB 3.4Å; R454-A458 PolarHBondContact O-N 2.97Å; R454-A458 VanDerWaalsContact O-N 3.1Å; A456-A458 VanDerWaalsContact C-N 3.35Å; A458-V460 VanDerWaalsContact C-N 3.31Å; A458-V460 PolarHBondContact O-N 2.75Å; A458-I461 PolarHBondContact O-N 3.45Å; A458-Q462 VanDerWaalsContact O-CG 3.32Å; A458-Q462 WeakPolarHBondContact O-CG 3.44Å; A458-Q462 PolarHBondContact O-N 2.95Å; A458-R483 HydrophobicContact CB-CB 3.83Å; A458-V484 HydrophobicContact CB-CB 4.32Å; A458-V484 HydrophobicContact CB-CG2 3.54Å
459A84.8Confident85.3Confident41 Ų4142.2 Ų42.234%0.33922%0.224SC..Hα-helixtrans-62.9-38.1177.600000112.1S455 A456 G457 Q462 E463S455-A459 PolarHBondContact O-N 3.45Å; S455-A459 VanDerWaalsContact O-N 3.09Å; A456-A459 PolarHBondContact O-N 2.91Å; G457-A459 VanDerWaalsContact C-N 3.33Å; G457-A459 PolarHBondContact O-N 3.28Å; A459-Q462 PolarHBondContact O-N 3.19Å; A459-E463 VanDerWaalsContact O-CB 3.28Å; A459-E463 WeakPolarHBondContact O-CB 3.49Å; A459-E463 PolarHBondContact O-N 3.17Å
460V89.1Confident85.2Confident2 Ų241.3 Ų41.31%0.01222%0.217CC..Hα-helixtrans-64.2-44.1176.4175.90000111.4P425 L428 R429 L432 A456 G457 A458 E463 L464P425-V460 HydrophobicContact CB-CG2 4.32Å; L428-V460 HydrophobicContact CB-CG1 4.46Å; L428-V460 HydrophobicContact CD2-CB 4.35Å; L428-V460 HydrophobicContact CD2-CG1 4.26Å; L428-V460 HydrophobicContact CG-CG1 4.01Å; R429-V460 HydrophobicContact CB-CG1 3.79Å; R429-V460 HydrophobicContact CB-CG2 4.43Å; L432-V460 HydrophobicContact CD1-CG1 4.24Å; A456-V460 WeakPolarHBondContact O-CG2 3.19Å; A456-V460 PolarHBondContact O-N 3.4Å; G457-V460 WeakPolarHBondContact O-CB 3.46Å; G457-V460 PolarHBondContact O-N 2.78Å; A458-V460 VanDerWaalsContact C-N 3.31Å; A458-V460 PolarHBondContact O-N 2.75Å; V460-E463 PolarHBondContact O-N 2.87Å; V460-L464 HydrophobicContact CG1-CD1 4.2Å; V460-L464 WeakPolarHBondContact O-CB 3.34Å; V460-L464 PolarHBondContact O-N 2.96Å
461I86.3Confident85.3Confident3 Ų340.6 Ų40.62%0.01521%0.21CC..Hα-helixtrans-63.1-46.7177.1-65.4172.9000109.9L428 L432 I448 L453 G457 A458 E463 L464 F465 I476 V484 T487L428-I461 HydrophobicContact CD2-CD1 4.13Å; L428-I461 HydrophobicContact CD2-CG1 3.84Å; L432-I461 HydrophobicContact CD1-CG1 4.36Å; I448-I461 HydrophobicContact CD1-CD1 3.92Å; L453-I461 HydrophobicContact CD1-CD1 3.7Å; G457-I461 WeakPolarHBondContact O-CG1 3.5Å; G457-I461 PolarHBondContact O-N 2.94Å; A458-I461 PolarHBondContact O-N 3.45Å; I461-E463 VanDerWaalsContact C-N 3.28Å; I461-E463 PolarHBondContact O-N 3.33Å; I461-L464 PolarHBondContact O-N 2.8Å; I461-F465 HydrophobicContact CG2-CB 3.89Å; I461-F465 HydrophobicContact CG2-CG 4.31Å; I461-F465 WeakPolarHBondContact O-CB 3.28Å; I461-F465 PolarHBondContact O-N 3.34Å; I461-I476 HydrophobicContact CD1-CG2 4.18Å; I461-V484 HydrophobicContact CD1-CG1 3.75Å; I461-T487 HydrophobicContact CG2-CG2 4.02Å; I461-T487 WeakPolarHBondContact CG2-OG1 3.29Å
462Q81.1Confident85.1Confident58 Ų5841.1 Ų41.127%0.27121%0.214SC..Hα-helixtrans-58-40.1177.2-73.7-179-600112.9A458 A459 R483 T487A458-Q462 VanDerWaalsContact O-CG 3.32Å; A458-Q462 WeakPolarHBondContact O-CG 3.44Å; A458-Q462 PolarHBondContact O-N 2.95Å; A459-Q462 PolarHBondContact O-N 3.19Å; Q462-R483 PolarHBondContact NE2-O 3.42Å; Q462-T487 WeakPolarHBondContact CG-OG1 3.46Å
463E85.1Confident85.1Confident100 Ų10037.8 Ų37.847%0.46720%0.201SC..Hα-helixtrans-73.4-45.7-177.8-174.7-168.6166.900112.6R429 A459 V460 I461R429-E463 IonicContact CZ-OE2 2.97Å; R429-E463 IonicContact NE-OE2 3.81Å; R429-E463 IonicContact NH2-OE2 3.97Å; R429-E463 PolarHBondContact NH2-OE2 2.89Å; A459-E463 VanDerWaalsContact O-CB 3.28Å; A459-E463 WeakPolarHBondContact O-CB 3.49Å; A459-E463 PolarHBondContact O-N 3.17Å; V460-E463 PolarHBondContact O-N 2.87Å; I461-E463 VanDerWaalsContact C-N 3.28Å; I461-E463 PolarHBondContact O-N 3.33Å
464L87.8Confident85.3Confident12 Ų1237.9 Ų37.96%0.06320%0.201CC..Hα-helixtrans-106.7-33.9-166-64.8-177.1000114.7R429 L432 V460 I461 P466 R467R429-L464 HydrophobicContact CB-CD1 4.37Å; R429-L464 HydrophobicContact CG-CD1 3.87Å; L432-L464 HydrophobicContact CB-CB 4.08Å; L432-L464 HydrophobicContact CB-CD1 4.16Å; L432-L464 HydrophobicContact CD1-CB 4.22Å; V460-L464 HydrophobicContact CG1-CD1 4.2Å; V460-L464 WeakPolarHBondContact O-CB 3.34Å; V460-L464 PolarHBondContact O-N 2.96Å; I461-L464 PolarHBondContact O-N 2.8Å; L464-P466 VanDerWaalsContact C-N 3.33Å; L464-R467 WeakPolarHBondContact O-CB 3.47Å; L464-R467 PolarHBondContact O-N 2.76Å
465F84.7Confident85.5Confident5 Ų532.3 Ų32.32%0.02218%0.182CC..G310 helixtrans-58.9-35.2-174.5-163.4-99.7000114L432 I461 R467 V468 V471 L474 T487 L494L432-F465 HydrophobicContact CD2-CD2 4.21Å; I461-F465 HydrophobicContact CG2-CB 3.89Å; I461-F465 HydrophobicContact CG2-CG 4.31Å; I461-F465 WeakPolarHBondContact O-CB 3.28Å; I461-F465 PolarHBondContact O-N 3.34Å; F465-R467 PolarHBondContact O-N 3.12Å; F465-V468 HydrophobicContact CD2-CB 4.47Å; F465-V468 PolarHBondContact O-N 2.65Å; F465-V471 HydrophobicContact CE2-CB 4.17Å; F465-V471 HydrophobicContact CE2-CG1 4.09Å; F465-V471 HydrophobicContact CE2-CG2 4.38Å; F465-V471 HydrophobicContact CZ-CB 4.24Å; F465-V471 HydrophobicContact CZ-CG1 4.02Å; F465-L474 HydrophobicContact CD1-CD2 4.48Å; F465-L474 HydrophobicContact CD2-CD2 4.23Å; F465-L474 HydrophobicContact CE1-CD2 3.99Å; F465-L474 HydrophobicContact CE2-CB 4.42Å; F465-L474 HydrophobicContact CE2-CD1 4.13Å; F465-L474 HydrophobicContact CE2-CD2 3.72Å; F465-L474 HydrophobicContact CE2-CG 4.3Å; F465-L474 HydrophobicContact CZ-CB 4.01Å; F465-L474 HydrophobicContact CZ-CD2 3.6Å; F465-L474 HydrophobicContact CZ-CG 4.24Å; F465-T487 HydrophobicContact CB-CG2 4.23Å; F465-T487 HydrophobicContact CD1-CG2 4.48Å; F465-L494 HydrophobicContact CE1-CD1 4.28Å; F465-L494 HydrophobicContact CE1-CD2 3.82Å; F465-L494 HydrophobicContact CZ-CD1 3.99Å; F465-L494 HydrophobicContact CZ-CD2 4.24Å
466P82.6Confident85.7Confident44 Ų4429.9 Ų29.929%0.28616%0.164SC..G310 helixtrans-58.7-19.3174-24.834.6000114.5L464L464-P466 VanDerWaalsContact C-N 3.33Å
467R84.9Confident85.4Confident168 Ų16828 Ų2863%0.63415%0.148SC*.G310 helixtrans-94-14.8177.6-54.1-180-177.1-178.81113.1T436 L464 F465 S469T436-R467 HydrophobicContact CG2-CB 3.74Å; L464-R467 WeakPolarHBondContact O-CB 3.47Å; L464-R467 PolarHBondContact O-N 2.76Å; F465-R467 PolarHBondContact O-N 3.12Å; R467-S469 PolarHBondContact O-N 3.18Å
468V86.7Confident85.1Confident1 Ų132.6 Ų32.61%0.00617%0.173CC..  trans-79.9109.8-177.11770000109.2L432 L435 T436 F465 V471 R491L432-V468 HydrophobicContact CB-CG2 4.17Å; L432-V468 HydrophobicContact CD2-CG2 4.27Å; L435-V468 HydrophobicContact CB-CG1 3.97Å; T436-V468 WeakPolarHBondContact OG1-CG2 3.23Å; F465-V468 HydrophobicContact CD2-CB 4.47Å; F465-V468 PolarHBondContact O-N 2.65Å; V468-V471 HydrophobicContact CG1-CB 4.18Å; V468-V471 HydrophobicContact CG1-CG2 3.63Å; V468-R491 VanDerWaalsContact O-CD 3.27Å; V468-R491 WeakPolarHBondContact O-CD 3.28Å
469S83.1Confident84.9Confident61 Ų6132.8 Ų32.843%0.42717%0.174SC..  trans-96.3-4.7-179.159.90000115.6R467 R491R467-S469 PolarHBondContact O-N 3.18Å; S469-R491 VanDerWaalsContact CA-CZ 3.5Å; S469-R491 VanDerWaalsContact CB-NH1 3.27Å; S469-R491 PolarHBondContact O-NH1 3.24Å; S469-R491 PolarHBondContact O-NH2 3.35Å
470S87.8Confident84.1Confident0 Ų033.4 Ų33.40%018%0.184CC..SBendtrans-91.4-20.2-172.841.60000114L435 I441 T442 D443 L444L435-S470 PolarHBondContact O-OG 3.39Å; L435-S470 VanDerWaalsContact O-OG 3.11Å; I441-S470 WeakPolarHBondContact O-CA 3.46Å; I441-S470 WeakPolarHBondContact O-CB 3.14Å; T442-S470 CarbonylContact C-O 3.43Å; T442-S470 VanDerWaalsContact C-O 3.31Å; D443-S470 PolarHBondContact N-O 2.91Å; L444-S470 WeakPolarHBondContact CB-O 3.39Å; L444-S470 PolarHBondContact N-O 3.14Å
471V88.5Confident82.9Confident0 Ų034.5 Ų34.50%019%0.191CC..EExtended strand (participates in β ladder)trans-89123.9-176178.70000110.8L435 L444 L446 F465 V468 T473 L474 L494L435-V471 HydrophobicContact CD1-CG2 4.11Å; L444-V471 HydrophobicContact CB-CG2 4.43Å; L444-V471 HydrophobicContact CD2-CG2 4.07Å; L444-V471 HydrophobicContact CG-CG2 4.45Å; L444-V471 WeakPolarHBondContact O-CA 3.15Å; L446-V471 HydrophobicContact CB-CG1 4.17Å; L446-V471 HydrophobicContact CB-CG2 4.28Å; L446-V471 HydrophobicContact CD2-CG2 4.37Å; F465-V471 HydrophobicContact CE2-CB 4.17Å; F465-V471 HydrophobicContact CE2-CG1 4.09Å; F465-V471 HydrophobicContact CE2-CG2 4.38Å; F465-V471 HydrophobicContact CZ-CB 4.24Å; F465-V471 HydrophobicContact CZ-CG1 4.02Å; V468-V471 HydrophobicContact CG1-CB 4.18Å; V468-V471 HydrophobicContact CG1-CG2 3.63Å; V471-T473 VanDerWaalsContact CG1-O 3.29Å; V471-T473 WeakPolarHBondContact CG1-O 3.16Å; V471-L474 HydrophobicContact CG1-CB 4.21Å; V471-L494 HydrophobicContact CG1-CD1 4.27Å
472A86.3Confident81.7Confident11 Ų1135.6 Ų35.69%0.09120%0.198CC..EExtended strand (participates in β ladder)trans-103.3-33.2174.400000112.6D443 L444 L494 V495D443-A472 HydrophobicContact CB-CB 4.45Å; D443-A472 WeakPolarHBondContact OD1-CB 3.13Å; L444-A472 PolarHBondContact O-N 2.88Å; A472-L494 CarbonylContact O-C 3.58Å; A472-L494 WeakPolarHBondContact O-CA 3.33Å; A472-L494 WeakPolarHBondContact O-CD1 3.28Å; A472-V495 PolarHBondContact O-N 2.81Å
473T85.9Confident80.8Confident26 Ų2639.1 Ų39.116%0.1621%0.209CC..EExtended strand (participates in β ladder)trans-123.6128.4172.7-54.30000110.1L444 H445 L446 V471 V495L444-T473 PolarHBondContact O-N 2.72Å; L444-T473 VanDerWaalsContact O-N 3.1Å; H445-T473 WeakPolarHBondContact CA-O 3.22Å; H445-T473 VanDerWaalsContact ND1-CB 3.31Å; H445-T473 WeakPolarHBondContact ND1-CB 3.38Å; H445-T473 WeakPolarHBondContact ND1-CG2 3.32Å; L446-T473 PolarHBondContact N-O 3.05Å; V471-T473 VanDerWaalsContact CG1-O 3.29Å; V471-T473 WeakPolarHBondContact CG1-O 3.16Å; T473-V495 CarbonylContact C-O 3.59Å; T473-V495 VanDerWaalsContact CA-O 3.3Å; T473-V495 WeakPolarHBondContact CA-O 3.36Å; T473-V495 HydrophobicContact CG2-CB 3.93Å; T473-V495 HydrophobicContact CG2-CG1 3.91Å
474L88.9Confident79.6Confident4 Ų434.6 Ų34.62%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-120.6120.3174.8177.768.5000109.7L446 I448 F465 V471 I476 L494 V495 L496 C497L446-L474 HydrophobicContact CB-CD1 4.31Å; L446-L474 HydrophobicContact CD2-CD1 4.09Å; L446-L474 HydrophobicContact CG-CD1 4.2Å; L446-L474 WeakPolarHBondContact O-CA 3.28Å; I448-L474 HydrophobicContact CD1-CD1 4Å; I448-L474 HydrophobicContact CG1-CD1 4.09Å; F465-L474 HydrophobicContact CD1-CD2 4.48Å; F465-L474 HydrophobicContact CD2-CD2 4.23Å; F465-L474 HydrophobicContact CE1-CD2 3.99Å; F465-L474 HydrophobicContact CE2-CB 4.42Å; F465-L474 HydrophobicContact CE2-CD1 4.13Å; F465-L474 HydrophobicContact CE2-CD2 3.72Å; F465-L474 HydrophobicContact CE2-CG 4.3Å; F465-L474 HydrophobicContact CZ-CB 4.01Å; F465-L474 HydrophobicContact CZ-CD2 3.6Å; F465-L474 HydrophobicContact CZ-CG 4.24Å; V471-L474 HydrophobicContact CG1-CB 4.21Å; L474-I476 HydrophobicContact CD1-CG2 4.04Å; L474-I476 HydrophobicContact CD2-CG2 3.82Å; L474-I476 HydrophobicContact CG-CG2 3.83Å; L474-L494 HydrophobicContact CB-CD1 4.5Å; L474-V495 PolarHBondContact N-O 2.85Å; L474-L496 HydrophobicContact CB-CD1 4.39Å; L474-L496 HydrophobicContact CD2-CD1 4.18Å; L474-L496 HydrophobicContact CG-CD1 4.46Å; L474-C497 PolarHBondContact O-N 3.21Å
475D86Confident78.3Confident30 Ų3034.4 Ų34.416%0.1619%0.187CC..EExtended strand (participates in β ladder)trans-102.9116.6168.4-162.5-28.1000110.7L446 D447 I448 S449 S477 C497L446-D475 PolarHBondContact O-N 2.81Å; D447-D475 HydrophobicContact CB-CB 4.27Å; I448-D475 CarbonylContact C-O 3.59Å; I448-D475 WeakPolarHBondContact CA-O 3.2Å; I448-D475 WeakPolarHBondContact CG1-O 3.47Å; I448-D475 PolarHBondContact N-O 2.8Å; S449-D475 PolarHBondContact N-O 3.48Å; D475-S477 WeakPolarHBondContact OD1-CB 3.31Å; D475-S477 PolarHBondContact OD1-N 3.44Å; D475-S477 PolarHBondContact OD1-OG 2.67Å; D475-C497 HydrophobicContact CB-CB 3.95Å
476I85.4Confident77.1Confident10 Ų1036.9 Ų36.95%0.05121%0.209CC..  trans-121.218.4178.149.5163.2000112I448 I461 L474 N479 V484 L485 L496 C497 V498I448-I476 HydrophobicContact CD1-CG2 3.75Å; I448-I476 HydrophobicContact CG1-CG2 3.74Å; I461-I476 HydrophobicContact CD1-CG2 4.18Å; L474-I476 HydrophobicContact CD1-CG2 4.04Å; L474-I476 HydrophobicContact CD2-CG2 3.82Å; L474-I476 HydrophobicContact CG-CG2 3.83Å; I476-N479 VanDerWaalsContact C-ND2 3.29Å; I476-N479 PolarHBondContact O-ND2 3.42Å; I476-V484 HydrophobicContact CB-CG1 4.17Å; I476-V484 HydrophobicContact CD1-CB 4.38Å; I476-V484 HydrophobicContact CD1-CG1 3.48Å; I476-V484 VanDerWaalsContact CD1-CG1 3.48Å; I476-V484 HydrophobicContact CG1-CG1 4.42Å; I476-V484 HydrophobicContact CG2-CG1 4.17Å; I476-L485 HydrophobicContact CD1-CD2 3.76Å; I476-L496 HydrophobicContact CD1-CD1 4.02Å; I476-L496 HydrophobicContact CG1-CD1 4.11Å; I476-C497 PolarHBondContact N-O 3.27Å; I476-C497 VanDerWaalsContact N-O 3.11Å; I476-V498 HydrophobicContact CD1-CG2 4.01Å; I476-V498 HydrophobicContact CG1-CG2 3.9Å
477S81.5Confident76.1Confident13 Ų1335.1 Ų35.19%0.09120%0.197CC..THydrogen-bonded Turntrans-51.2148.9178.2-60.30000112.6S449 G450 D475 N479 C499S449-S477 CarbonylContact C-O 3.53Å; S449-S477 WeakPolarHBondContact CA-O 3.34Å; G450-S477 PolarHBondContact N-O 2.92Å; D475-S477 WeakPolarHBondContact OD1-CB 3.31Å; D475-S477 PolarHBondContact OD1-N 3.44Å; D475-S477 PolarHBondContact OD1-OG 2.67Å; S477-N479 VanDerWaalsContact C-N 3.32Å; S477-N479 PolarHBondContact O-N 2.89Å; S477-N479 VanDerWaalsContact O-N 3.16Å; S477-N479 PolarHBondContact O-ND2 2.87Å; S477-C499 PolarHBondContact OG-N 3.29Å
478D79.1Confident75.1Confident96 Ų9632.1 Ų32.151%0.51319%0.189SC..THydrogen-bonded Turntrans55.734.7169.8-161.222.8000116.2G450 C499G450-D478 WeakPolarHBondContact CA-O 3.1Å; D478-C499 PolarHBondContact N-O 3.45Å
479N78.1Confident73.9Confident3 Ų333 Ų332%0.01619%0.193CC..  trans-96.67179.4-84.7-60.6000115.3I448 C451 E452 L453 R454 I476 S477 T481I448-N479 PolarHBondContact O-ND2 3.17Å; C451-N479 WeakPolarHBondContact CA-OD1 3.12Å; C451-N479 VanDerWaalsContact CB-OD1 3.32Å; C451-N479 WeakPolarHBondContact CB-OD1 3.41Å; C451-N479 PolarHBondContact N-OD1 3.44Å; E452-N479 PolarHBondContact N-OD1 3.45Å; L453-N479 HydrophobicContact CB-CB 4.19Å; L453-N479 HydrophobicContact CD1-CB 4.3Å; L453-N479 HydrophobicContact CG-CB 4.39Å; L453-N479 WeakPolarHBondContact CG-OD1 2.84Å; L453-N479 PolarHBondContact N-OD1 2.82Å; R454-N479 PolarHBondContact N-O 3.32Å; I476-N479 VanDerWaalsContact C-ND2 3.29Å; I476-N479 PolarHBondContact O-ND2 3.42Å; S477-N479 VanDerWaalsContact C-N 3.32Å; S477-N479 PolarHBondContact O-N 2.89Å; S477-N479 VanDerWaalsContact O-N 3.16Å; S477-N479 PolarHBondContact O-ND2 2.87Å; N479-T481 PolarHBondContact O-N 2.84Å; N479-T481 VanDerWaalsContact O-N 3.07Å
480G66.6Low72.7Confident55 Ų5533.5 Ų33.557%0.56719%0.194SC*.SBendtrans66.18.9168.800000117
481T64.6Low71.6Confident24 Ų2436.5 Ų36.515%0.14721%0.205CC..  trans-138.3129.6175.651.20000116.6R454 N479 R483 V484R454-T481 VanDerWaalsContact C-CG2 3.49Å; R454-T481 VanDerWaalsContact C-OG1 3.3Å; R454-T481 VanDerWaalsContact CA-CG2 3.47Å; R454-T481 HydrophobicContact CB-CG2 4.28Å; R454-T481 PolarHBondContact O-OG1 3.35Å; R454-T481 VanDerWaalsContact O-OG1 3.08Å; N479-T481 PolarHBondContact O-N 2.84Å; N479-T481 VanDerWaalsContact O-N 3.07Å; T481-R483 PolarHBondContact O-N 3.26Å; T481-R483 VanDerWaalsContact O-N 3.13Å; T481-V484 PolarHBondContact O-N 3.29Å
482P60.4Low69.9Low26 Ų2641.6 Ų41.617%0.16924%0.236CC..THydrogen-bonded Turntrans-62.1-16.3175.9-23.932.4000115.5V509P482-V509 HydrophobicContact CB-CG2 3.47Å; P482-V509 VanDerWaalsContact CB-CG2 3.47Å; P482-V509 HydrophobicContact CG-CG2 3.53Å
483R62.1Low68.7Low132 Ų13243.7 Ų43.750%0.49825%0.25SS..THydrogen-bonded Turntrans-73.7-27.2-175.4-69.6-177.273.6171.51.4112.6A458 Q462 T481 L485 A486A458-R483 HydrophobicContact CB-CB 3.83Å; Q462-R483 PolarHBondContact NE2-O 3.42Å; T481-R483 PolarHBondContact O-N 3.26Å; T481-R483 VanDerWaalsContact O-N 3.13Å; R483-L485 PolarHBondContact O-N 3.16Å; R483-L485 VanDerWaalsContact O-N 3.14Å; R483-A486 PolarHBondContact O-N 2.78Å; R483-A486 VanDerWaalsContact O-N 3.09Å
484V60.2Low68.1Low6 Ų642.4 Ų42.44%0.03624%0.243CC..G310 helixtrans-57.9-32.7-179.4-173.40000111.2A458 I461 I476 T481 A486 T487A458-V484 HydrophobicContact CB-CB 4.32Å; A458-V484 HydrophobicContact CB-CG2 3.54Å; I461-V484 HydrophobicContact CD1-CG1 3.75Å; I476-V484 HydrophobicContact CB-CG1 4.17Å; I476-V484 HydrophobicContact CD1-CB 4.38Å; I476-V484 HydrophobicContact CD1-CG1 3.48Å; I476-V484 VanDerWaalsContact CD1-CG1 3.48Å; I476-V484 HydrophobicContact CG1-CG1 4.42Å; I476-V484 HydrophobicContact CG2-CG1 4.17Å; T481-V484 PolarHBondContact O-N 3.29Å; V484-A486 VanDerWaalsContact C-N 3.34Å; V484-A486 PolarHBondContact O-N 2.81Å; V484-T487 WeakPolarHBondContact O-CB 3.11Å; V484-T487 PolarHBondContact O-N 3.21Å; V484-T487 PolarHBondContact O-OG1 3.2Å
485L62Low67.4Low8 Ų844.2 Ų44.24%0.04225%0.254CS..G310 helixtrans-81.8-7.2-176.4-62166.4000114.5I476 R483 T487 V498 L500 V509 L513I476-L485 HydrophobicContact CD1-CD2 3.76Å; R483-L485 PolarHBondContact O-N 3.16Å; R483-L485 VanDerWaalsContact O-N 3.14Å; L485-T487 PolarHBondContact O-N 2.85Å; L485-V498 HydrophobicContact CD1-CG1 4.24Å; L485-V498 HydrophobicContact CD2-CB 4.42Å; L485-V498 HydrophobicContact CD2-CG1 3.88Å; L485-V498 HydrophobicContact CD2-CG2 3.65Å; L485-L500 HydrophobicContact CD1-CD2 4.01Å; L485-V509 HydrophobicContact CD1-CG1 3.2Å; L485-L513 HydrophobicContact CD1-CD1 4.22Å; L485-L513 HydrophobicContact CD1-CD2 4.45Å; L485-L513 HydrophobicContact CD1-CG 4.12Å; L485-L513 HydrophobicContact CD2-CD2 3.92Å; L485-L513 HydrophobicContact CD2-CG 4.47Å
486A59.5Low67Low57 Ų5743 Ų4347%0.47125%0.247SC..G310 helixtrans-88.312.6171.700000112.6R483 V484 K488R483-A486 PolarHBondContact O-N 2.78Å; R483-A486 VanDerWaalsContact O-N 3.09Å; V484-A486 VanDerWaalsContact C-N 3.34Å; V484-A486 PolarHBondContact O-N 2.81Å; A486-K488 PolarHBondContact O-N 3.35Å
487T61Low66.4Low7 Ų743.5 Ų43.54%0.04325%0.251CS..SBendtrans-70.4122.6174.1-57.60000108.6I461 Q462 F465 V484 L485 I489I461-T487 HydrophobicContact CG2-CG2 4.02Å; I461-T487 WeakPolarHBondContact CG2-OG1 3.29Å; Q462-T487 WeakPolarHBondContact CG-OG1 3.46Å; F465-T487 HydrophobicContact CB-CG2 4.23Å; F465-T487 HydrophobicContact CD1-CG2 4.48Å; V484-T487 WeakPolarHBondContact O-CB 3.11Å; V484-T487 PolarHBondContact O-N 3.21Å; V484-T487 PolarHBondContact O-OG1 3.2Å; L485-T487 PolarHBondContact O-N 2.85Å; T487-I489 PolarHBondContact O-N 3.05Å; T487-I489 VanDerWaalsContact O-N 3.07Å
488K63.2Low66Low105 Ų10543 Ų4346%0.45725%0.248SC..  trans-65.9108.9174.8-166.8174.5-177.2-177.20108.7A486 T490 E521A486-K488 PolarHBondContact O-N 3.35Å; K488-T490 HydrophobicContact CD-CG2 4.4Å; K488-T490 HydrophobicContact CG-CG2 4.17Å; K488-T490 PolarHBondContact O-N 3.34Å; K488-E521 WeakPolarHBondContact CE-OE2 3.3Å; K488-E521 IonicContact NZ-OE2 2.73Å; K488-E521 PolarHBondContact NZ-OE2 3.5Å
489I62.5Low65.2Low18 Ų1839.7 Ų39.79%0.09223%0.232CC..  trans-90.1101178.4-60175.3000107.8T487 R491 L494 L496 L516 L524T487-I489 PolarHBondContact O-N 3.05Å; T487-I489 VanDerWaalsContact O-N 3.07Å; I489-R491 VanDerWaalsContact C-N 3.35Å; I489-L494 HydrophobicContact CD1-CD2 3.97Å; I489-L494 HydrophobicContact CG1-CD2 4.38Å; I489-L494 HydrophobicContact CG2-CB 4.28Å; I489-L494 HydrophobicContact CG2-CD2 3.6Å; I489-L496 HydrophobicContact CD1-CD1 4.47Å; I489-L496 HydrophobicContact CD1-CD2 3.76Å; I489-L516 HydrophobicContact CD1-CD2 4.06Å; I489-L524 HydrophobicContact CD1-CD1 4.49Å
490T57.7Low64.6Low72 Ų7239.7 Ų39.744%0.44223%0.232SC..  trans-87.90.5-177.651.80000113.7K488K488-T490 HydrophobicContact CD-CG2 4.4Å; K488-T490 HydrophobicContact CG-CG2 4.17Å; K488-T490 PolarHBondContact O-N 3.34Å
491R63.7Low64.3Low64 Ų6440.5 Ų40.524%0.24222%0.221CC..  trans-101.6122.6-168.5-70.8-173.162.779.6-5.2114.5V468 S469 I489 S493 A523V468-R491 VanDerWaalsContact O-CD 3.27Å; V468-R491 WeakPolarHBondContact O-CD 3.28Å; S469-R491 VanDerWaalsContact CA-CZ 3.5Å; S469-R491 VanDerWaalsContact CB-NH1 3.27Å; S469-R491 PolarHBondContact O-NH1 3.24Å; S469-R491 PolarHBondContact O-NH2 3.35Å; I489-R491 VanDerWaalsContact C-N 3.35Å; R491-S493 VanDerWaalsContact C-N 3.28Å; R491-S493 PolarHBondContact O-N 3.42Å; R491-A523 CarbonylContact O-C 3.43Å; R491-A523 WeakPolarHBondContact O-CB 3.28Å
492T53Low63.9Low107 Ų10742.5 Ų42.566%0.65625%0.246SC*.THydrogen-bonded Turntrans-82.555.7-176.549.40000113.1A523 Q525T492-A523 VanDerWaalsContact CA-O 3.3Å; T492-A523 WeakPolarHBondContact CA-O 3.45Å; T492-A523 HydrophobicContact CG2-CB 3.69Å; T492-Q525 PolarHBondContact O-NE2 3.14Å
493S60.8Low64Low54 Ų5442.7 Ų42.738%0.37824%0.244SC..THydrogen-bonded Turntrans-179.60.317350.80000113.9R491 V495R491-S493 VanDerWaalsContact C-N 3.28Å; R491-S493 PolarHBondContact O-N 3.42Å; S493-V495 PolarHBondContact O-N 3.31Å
494L74.6Confident63.8Low0 Ų048.4 Ų48.40%027%0.266CS..  trans-65.9135.8-174.3-169.377.6000111.1F465 V471 A472 L474 I489 L524 Q525 S526F465-L494 HydrophobicContact CE1-CD1 4.28Å; F465-L494 HydrophobicContact CE1-CD2 3.82Å; F465-L494 HydrophobicContact CZ-CD1 3.99Å; F465-L494 HydrophobicContact CZ-CD2 4.24Å; V471-L494 HydrophobicContact CG1-CD1 4.27Å; A472-L494 CarbonylContact O-C 3.58Å; A472-L494 WeakPolarHBondContact O-CA 3.33Å; A472-L494 WeakPolarHBondContact O-CD1 3.28Å; L474-L494 HydrophobicContact CB-CD1 4.5Å; I489-L494 HydrophobicContact CD1-CD2 3.97Å; I489-L494 HydrophobicContact CG1-CD2 4.38Å; I489-L494 HydrophobicContact CG2-CB 4.28Å; I489-L494 HydrophobicContact CG2-CD2 3.6Å; L494-L524 HydrophobicContact CB-CD1 4.24Å; L494-L524 HydrophobicContact CD2-CD1 4.37Å; L494-L524 VanDerWaalsContact O-CD1 3.25Å; L494-L524 WeakPolarHBondContact O-CD1 3.03Å; L494-Q525 PolarHBondContact O-N 3.45Å; L494-S526 PolarHBondContact O-N 2.75Å
495V73.7Confident64.1Low42 Ų4251.2 Ų51.226%0.25528%0.282SS..EExtended strand (participates in β ladder)trans-94.8116162-178.10000107.5A472 T473 L474 S493A472-V495 PolarHBondContact O-N 2.81Å; T473-V495 CarbonylContact C-O 3.59Å; T473-V495 VanDerWaalsContact CA-O 3.3Å; T473-V495 WeakPolarHBondContact CA-O 3.36Å; T473-V495 HydrophobicContact CG2-CB 3.93Å; T473-V495 HydrophobicContact CG2-CG1 3.91Å; L474-V495 PolarHBondContact N-O 2.85Å; S493-V495 PolarHBondContact O-N 3.31Å
496L76.7Confident64.7Low3 Ų351.2 Ų51.22%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-106.3118.3177.8-177.368.2000109.5L474 I476 I489 V498 L516 L524 S526 L527 S528L474-L496 HydrophobicContact CB-CD1 4.39Å; L474-L496 HydrophobicContact CD2-CD1 4.18Å; L474-L496 HydrophobicContact CG-CD1 4.46Å; I476-L496 HydrophobicContact CD1-CD1 4.02Å; I476-L496 HydrophobicContact CG1-CD1 4.11Å; I489-L496 HydrophobicContact CD1-CD1 4.47Å; I489-L496 HydrophobicContact CD1-CD2 3.76Å; L496-V498 HydrophobicContact CD1-CG2 4.2Å; L496-V498 HydrophobicContact CD2-CG2 4Å; L496-V498 HydrophobicContact CG-CG2 3.75Å; L496-L516 HydrophobicContact CD2-CD2 4.42Å; L496-L524 HydrophobicContact CB-CD1 3.46Å; L496-L524 VanDerWaalsContact CB-CD1 3.46Å; L496-L524 HydrophobicContact CB-CD2 4.19Å; L496-L524 HydrophobicContact CB-CG 4.46Å; L496-L524 HydrophobicContact CD2-CD2 4.26Å; L496-S526 PolarHBondContact N-O 3.02Å; L496-L527 HydrophobicContact CD2-CD1 4.34Å; L496-L527 WeakPolarHBondContact O-CA 3.22Å; L496-S528 PolarHBondContact O-N 3.41Å
497C72.6Confident65.4Low21 Ų2152.9 Ų52.914%0.14228%0.284CS..EExtended strand (participates in β ladder)trans-103.6123.8175-64.60000109.9L474 D475 I476L474-C497 PolarHBondContact O-N 3.21Å; D475-C497 HydrophobicContact CB-CB 3.95Å; I476-C497 PolarHBondContact N-O 3.27Å; I476-C497 VanDerWaalsContact N-O 3.11Å
498V73.2Confident66.1Low3 Ų357.9 Ų57.92%0.01831%0.306CS..  trans-142.5103.8-176.7-176.80000109.7I476 L485 L496 L500 S528 L529I476-V498 HydrophobicContact CD1-CG2 4.01Å; I476-V498 HydrophobicContact CG1-CG2 3.9Å; L485-V498 HydrophobicContact CD1-CG1 4.24Å; L485-V498 HydrophobicContact CD2-CB 4.42Å; L485-V498 HydrophobicContact CD2-CG1 3.88Å; L485-V498 HydrophobicContact CD2-CG2 3.65Å; L496-V498 HydrophobicContact CD1-CG2 4.2Å; L496-V498 HydrophobicContact CD2-CG2 4Å; L496-V498 HydrophobicContact CG-CG2 3.75Å; V498-L500 HydrophobicContact CG1-CD2 3.39Å; V498-L500 HydrophobicContact CG1-CG 3.99Å; V498-S528 CarbonylContact C-O 3.44Å; V498-S528 PolarHBondContact N-O 3.02Å; V498-L529 HydrophobicContact CB-CD2 3.85Å; V498-L529 HydrophobicContact CG1-CD2 4.28Å; V498-L529 WeakPolarHBondContact O-CA 3.45Å; V498-L529 WeakPolarHBondContact O-CD2 3.37Å
499C63.6Low66.7Low27 Ų2752.9 Ų52.918%0.18228%0.284CS..  trans-83.1120.3163.3-165.40000109.5S477 D478 H501 V530S477-C499 PolarHBondContact OG-N 3.29Å; D478-C499 PolarHBondContact N-O 3.45Å; C499-H501 VanDerWaalsContact C-N 3.34Å; C499-V530 PolarHBondContact SG-O 3.3Å
500L66Low67.6Low3 Ų352.2 Ų52.22%0.01628%0.281CS..  trans-9412.3178.4-56175.1000113.5L485 V498 F503 L506 V509 L510 L513 L529 S532 L534L485-L500 HydrophobicContact CD1-CD2 4.01Å; V498-L500 HydrophobicContact CG1-CD2 3.39Å; V498-L500 HydrophobicContact CG1-CG 3.99Å; L500-F503 HydrophobicContact CB-CD2 4.25Å; L500-F503 HydrophobicContact CD2-CD2 4.3Å; L500-F503 HydrophobicContact CD2-CE2 4.08Å; L500-F503 WeakPolarHBondContact O-CD2 3.36Å; L500-L506 HydrophobicContact CB-CD1 3.53Å; L500-L506 HydrophobicContact CD1-CD1 3.96Å; L500-L506 HydrophobicContact CG-CD1 4.33Å; L500-V509 HydrophobicContact CD1-CG1 4.18Å; L500-V509 HydrophobicContact CD2-CG1 3.36Å; L500-V509 HydrophobicContact CG-CG1 4.38Å; L500-L510 HydrophobicContact CD1-CD2 3.89Å; L500-L510 HydrophobicContact CD1-CG 4.44Å; L500-L513 HydrophobicContact CD1-CD1 3.63Å; L500-L513 HydrophobicContact CD2-CD1 4.24Å; L500-L513 HydrophobicContact CG-CD1 4.39Å; L500-L529 HydrophobicContact CD1-CD2 4.13Å; L500-L529 HydrophobicContact CG-CD2 4.23Å; L500-S532 PolarHBondContact N-OG 3.22Å; L500-L534 HydrophobicContact CD1-CD2 4.02Å
501H59.3Low68.7Low72 Ų7253.8 Ų53.833%0.33328%0.283SS..THydrogen-bonded Turntrans-60.8140.2173.2-170.6-69.6000110.4C499 F503 R533C499-H501 VanDerWaalsContact C-N 3.34Å; H501-F503 VanDerWaalsContact C-N 3.32Å; H501-F503 PolarHBondContact O-N 3Å; H501-R533 VanDerWaalsContact CD2-CD 3.44Å; H501-R533 WeakPolarHBondContact CD2-CD 3.45Å; H501-R533 PolarHBondContact CD2-NE 2.77Å; H501-R533 VanDerWaalsContact CD2-NE 3.29Å; H501-R533 PolarHBondContact NE2-NE 3.42Å; H501-R533 VanDerWaalsContact NE2-NE 3.13Å; H501-R533 PolarHBondContact NE2-NH1 3.29Å; H501-R533 PolarHBondContact NE2-NH2 2.99Å
502G55.2Low69.4Low65 Ų6553.8 Ų53.867%0.6729%0.285SS*.THydrogen-bonded Turntrans81-4.8175.200000116.5R504G502-R504 PolarHBondContact O-N 3.21Å
503F62.8Low70.8Confident31 Ų3148.7 Ų48.714%0.13625%0.254CS..  trans-69.5119.4174-75.6-97.3000111.1L500 H501 V505 V509L500-F503 HydrophobicContact CB-CD2 4.25Å; L500-F503 HydrophobicContact CD2-CD2 4.3Å; L500-F503 HydrophobicContact CD2-CE2 4.08Å; L500-F503 WeakPolarHBondContact O-CD2 3.36Å; H501-F503 VanDerWaalsContact C-N 3.32Å; H501-F503 PolarHBondContact O-N 3Å; F503-V505 PolarHBondContact O-N 3.31Å; F503-V509 HydrophobicContact CD1-CG2 3.84Å; F503-V509 HydrophobicContact CE1-CG2 4.35Å; F503-V509 HydrophobicContact CG-CG2 4.36Å
504R59.1Low72.1Confident252 Ų25246.6 Ų46.695%0.95124%0.239SC*.THydrogen-bonded Turntrans-63.5-20.7175.4-66.5-173.3-179.9-162.9-0.3113.2G502G502-R504 PolarHBondContact O-N 3.21Å
505V66.6Low72.5Confident64 Ų6449.4 Ų49.439%0.38826%0.259SS..THydrogen-bonded Turntrans-127.658.6-175-1580000110.4F503 D507 E508 V509F503-V505 PolarHBondContact O-N 3.31Å; V505-D507 VanDerWaalsContact C-N 3.26Å; V505-D507 PolarHBondContact O-N 3.17Å; V505-E508 HydrophobicContact CG1-CB 3.83Å; V505-E508 HydrophobicContact CG1-CG 3.56Å; V505-V509 WeakPolarHBondContact O-CG2 3.47Å; V505-V509 PolarHBondContact O-N 2.8Å
506L73.2Confident73Confident8 Ų847.9 Ų47.94%0.04225%0.249CC..Hα-helixtrans-59.3-35.2-175.3-172.267.6000112.9L500 V509 L510 L534L500-L506 HydrophobicContact CB-CD1 3.53Å; L500-L506 HydrophobicContact CD1-CD1 3.96Å; L500-L506 HydrophobicContact CG-CD1 4.33Å; L506-V509 WeakPolarHBondContact O-CB 3.5Å; L506-V509 PolarHBondContact O-N 2.86Å; L506-L510 HydrophobicContact CD1-CG 4.43Å; L506-L510 HydrophobicContact CD2-CD1 4.22Å; L506-L510 HydrophobicContact CG-CD1 3.94Å; L506-L510 HydrophobicContact CG-CG 4.18Å; L506-L510 WeakPolarHBondContact O-CB 3.48Å; L506-L510 WeakPolarHBondContact O-CG 3.49Å; L506-L510 PolarHBondContact O-N 3.36Å; L506-L534 HydrophobicContact CD1-CD2 4.26Å; L506-L534 HydrophobicContact CD2-CD2 4.13Å
507D75.8Confident73.4Confident93 Ų9347.9 Ų47.950%0.49725%0.249SC..Hα-helixtrans-67.7-44.4-174.9-61.1-30.8000112V505 V509 L510 Q511 R537V505-D507 VanDerWaalsContact C-N 3.26Å; V505-D507 PolarHBondContact O-N 3.17Å; D507-V509 PolarHBondContact O-N 3.4Å; D507-L510 PolarHBondContact O-N 2.76Å; D507-Q511 VanDerWaalsContact O-CG 3.28Å; D507-Q511 WeakPolarHBondContact O-CG 3.45Å; D507-Q511 PolarHBondContact O-N 2.94Å; D507-R537 WeakPolarHBondContact OD1-CD 3.13Å; D507-R537 IonicContact OD1-NH1 3.83Å
508E75.3Confident74Confident111 Ų11151.7 Ų51.752%0.51927%0.265SS..Hα-helixtrans-62.2-35.8174.6-71.3-178.3-166.300112.2V505 K512V505-E508 HydrophobicContact CG1-CB 3.83Å; V505-E508 HydrophobicContact CG1-CG 3.56Å; E508-K512 WeakPolarHBondContact O-CG 3.45Å; E508-K512 PolarHBondContact O-N 3.11Å; E508-K512 VanDerWaalsContact O-N 3.17Å
509V75.5Confident74.4Confident0 Ų055.3 Ų55.30%028%0.281CS..Hα-helixtrans-67.9-47.5178.1174.90000110.7P482 L485 L500 F503 V505 L506 D507 Q511 K512 L513P482-V509 HydrophobicContact CB-CG2 3.47Å; P482-V509 VanDerWaalsContact CB-CG2 3.47Å; P482-V509 HydrophobicContact CG-CG2 3.53Å; L485-V509 HydrophobicContact CD1-CG1 3.2Å; L500-V509 HydrophobicContact CD1-CG1 4.18Å; L500-V509 HydrophobicContact CD2-CG1 3.36Å; L500-V509 HydrophobicContact CG-CG1 4.38Å; F503-V509 HydrophobicContact CD1-CG2 3.84Å; F503-V509 HydrophobicContact CE1-CG2 4.35Å; F503-V509 HydrophobicContact CG-CG2 4.36Å; V505-V509 WeakPolarHBondContact O-CG2 3.47Å; V505-V509 PolarHBondContact O-N 2.8Å; L506-V509 WeakPolarHBondContact O-CB 3.5Å; L506-V509 PolarHBondContact O-N 2.86Å; D507-V509 PolarHBondContact O-N 3.4Å; V509-Q511 VanDerWaalsContact C-N 3.32Å; V509-Q511 PolarHBondContact O-N 2.98Å; V509-K512 PolarHBondContact O-N 2.93Å; V509-L513 HydrophobicContact CG1-CD1 4.33Å; V509-L513 PolarHBondContact O-N 3.21Å
510L80.4Confident74.9Confident4 Ų463.7 Ų63.72%0.02132%0.318CS..Hα-helixtrans-60.8-41.7177.2-79.8175.3000111.7L500 L506 D507 K512 L513 V514 L534 R537L500-L510 HydrophobicContact CD1-CD2 3.89Å; L500-L510 HydrophobicContact CD1-CG 4.44Å; L506-L510 HydrophobicContact CD1-CG 4.43Å; L506-L510 HydrophobicContact CD2-CD1 4.22Å; L506-L510 HydrophobicContact CG-CD1 3.94Å; L506-L510 HydrophobicContact CG-CG 4.18Å; L506-L510 WeakPolarHBondContact O-CB 3.48Å; L506-L510 WeakPolarHBondContact O-CG 3.49Å; L506-L510 PolarHBondContact O-N 3.36Å; D507-L510 PolarHBondContact O-N 2.76Å; L510-K512 VanDerWaalsContact C-N 3.3Å; L510-K512 PolarHBondContact O-N 2.77Å; L510-L513 PolarHBondContact O-N 3.03Å; L510-V514 WeakPolarHBondContact O-CB 3.27Å; L510-V514 VanDerWaalsContact O-CG2 3.24Å; L510-V514 WeakPolarHBondContact O-CG2 3.28Å; L510-V514 PolarHBondContact O-N 3.41Å; L510-L534 HydrophobicContact CD1-CD2 4.11Å; L510-L534 HydrophobicContact CD2-CD2 3.74Å; L510-L534 HydrophobicContact CG-CD2 4.29Å; L510-R537 HydrophobicContact CD1-CB 4Å
511Q82.1Confident75.3Confident105 Ų10570 Ų7049%0.49135%0.347SS..Hα-helixtrans-62.4-37.7176.2-70.1-60.6-28.200112.3D507 V509 V514 S515D507-Q511 VanDerWaalsContact O-CG 3.28Å; D507-Q511 WeakPolarHBondContact O-CG 3.45Å; D507-Q511 PolarHBondContact O-N 2.94Å; V509-Q511 VanDerWaalsContact C-N 3.32Å; V509-Q511 PolarHBondContact O-N 2.98Å; Q511-V514 PolarHBondContact O-N 3.48Å; Q511-S515 PolarHBondContact O-N 3.44Å; Q511-S515 PolarHBondContact O-OG 2.82Å
512K79.1Confident76Confident65 Ų6567.4 Ų67.428%0.28334%0.337SS..Hα-helixtrans-69.3-37.3174.8-74.5170-179.2168.20113E508 V509 L510 S515 L516E508-K512 WeakPolarHBondContact O-CG 3.45Å; E508-K512 PolarHBondContact O-N 3.11Å; E508-K512 VanDerWaalsContact O-N 3.17Å; V509-K512 PolarHBondContact O-N 2.93Å; L510-K512 VanDerWaalsContact C-N 3.3Å; L510-K512 PolarHBondContact O-N 2.77Å; K512-S515 WeakPolarHBondContact CA-OG 3.37Å; K512-S515 PolarHBondContact O-N 3.09Å; K512-S515 PolarHBondContact O-OG 3.07Å; K512-L516 WeakPolarHBondContact O-CB 3.23Å; K512-L516 PolarHBondContact O-N 3.4Å
513L81.9Confident77.1Confident0 Ų064.7 Ų64.70%031%0.308CS..Hα-helixtrans-64.6-43.1172.6-81.9168.5000111.1L485 L500 V509 L510 L516 I517 L527 L529 L541L485-L513 HydrophobicContact CD1-CD1 4.22Å; L485-L513 HydrophobicContact CD1-CD2 4.45Å; L485-L513 HydrophobicContact CD1-CG 4.12Å; L485-L513 HydrophobicContact CD2-CD2 3.92Å; L485-L513 HydrophobicContact CD2-CG 4.47Å; L500-L513 HydrophobicContact CD1-CD1 3.63Å; L500-L513 HydrophobicContact CD2-CD1 4.24Å; L500-L513 HydrophobicContact CG-CD1 4.39Å; V509-L513 HydrophobicContact CG1-CD1 4.33Å; V509-L513 PolarHBondContact O-N 3.21Å; L510-L513 PolarHBondContact O-N 3.03Å; L513-L516 WeakPolarHBondContact O-CB 3.44Å; L513-L516 PolarHBondContact O-N 3.35Å; L513-I517 WeakPolarHBondContact O-CG1 3.15Å; L513-I517 WeakPolarHBondContact O-CG2 3.45Å; L513-I517 PolarHBondContact O-N 3.03Å; L513-L527 HydrophobicContact CD2-CD1 4.49Å; L513-L529 HydrophobicContact CD1-CD2 4.07Å; L513-L541 HydrophobicContact CB-CD1 4.46Å
514V86.8Confident78.1Confident10 Ų1063.3 Ų63.36%0.06130%0.302CS..Hα-helixtrans-59.7-46.8175168.20000110.7L510 Q511 L516 I517 Q518 V540 L541 A544L510-V514 WeakPolarHBondContact O-CB 3.27Å; L510-V514 VanDerWaalsContact O-CG2 3.24Å; L510-V514 WeakPolarHBondContact O-CG2 3.28Å; L510-V514 PolarHBondContact O-N 3.41Å; Q511-V514 PolarHBondContact O-N 3.48Å; V514-L516 VanDerWaalsContact C-N 3.34Å; V514-L516 PolarHBondContact O-N 2.95Å; V514-I517 VanDerWaalsContact O-CG1 3.26Å; V514-I517 WeakPolarHBondContact O-CG1 3.4Å; V514-I517 PolarHBondContact O-N 3.05Å; V514-Q518 HydrophobicContact CG1-CG 4.46Å; V514-Q518 WeakPolarHBondContact O-CB 3.36Å; V514-Q518 WeakPolarHBondContact O-CG 3.4Å; V514-Q518 PolarHBondContact O-N 2.94Å; V514-V540 HydrophobicContact CG2-CG1 4.07Å; V514-L541 HydrophobicContact CG2-CB 4.45Å; V514-L541 HydrophobicContact CG2-CD1 4.08Å; V514-A544 HydrophobicContact CB-CB 4.4Å; V514-A544 HydrophobicContact CG1-CB 3.75Å; V514-A544 HydrophobicContact CG2-CB 4.09Å
515S84.2Confident79.3Confident59 Ų5954.5 Ų54.541%0.41327%0.272SS..Hα-helixtrans-60.9-44176.3670000111.4Q511 K512 I517 Q518 E519Q511-S515 PolarHBondContact O-N 3.44Å; Q511-S515 PolarHBondContact O-OG 2.82Å; K512-S515 WeakPolarHBondContact CA-OG 3.37Å; K512-S515 PolarHBondContact O-N 3.09Å; K512-S515 PolarHBondContact O-OG 3.07Å; S515-I517 PolarHBondContact O-N 3.28Å; S515-Q518 CarbonylContact O-C 3.38Å; S515-Q518 PolarHBondContact O-N 3.13Å; S515-E519 WeakPolarHBondContact O-CG 3.17Å; S515-E519 PolarHBondContact O-N 3.15Å
516L82.9Confident80.3Confident10 Ų1052.4 Ų52.45%0.05226%0.26CS..Hα-helixtrans-60.2-42.8178.7-178.771.8000112.4I489 L496 K512 L513 V514 Q518I489-L516 HydrophobicContact CD1-CD2 4.06Å; L496-L516 HydrophobicContact CD2-CD2 4.42Å; K512-L516 WeakPolarHBondContact O-CB 3.23Å; K512-L516 PolarHBondContact O-N 3.4Å; L513-L516 WeakPolarHBondContact O-CB 3.44Å; L513-L516 PolarHBondContact O-N 3.35Å; V514-L516 VanDerWaalsContact C-N 3.34Å; V514-L516 PolarHBondContact O-N 2.95Å; L516-Q518 VanDerWaalsContact C-N 3.33Å
517I86.1Confident81Confident3 Ų352 Ų522%0.01526%0.258CS..Hα-helixtrans-77.7-19.6179.368.4166.3000112.8L513 V514 S515 L527 L541 A544 L545 N548 L551L513-I517 WeakPolarHBondContact O-CG1 3.15Å; L513-I517 WeakPolarHBondContact O-CG2 3.45Å; L513-I517 PolarHBondContact O-N 3.03Å; V514-I517 VanDerWaalsContact O-CG1 3.26Å; V514-I517 WeakPolarHBondContact O-CG1 3.4Å; V514-I517 PolarHBondContact O-N 3.05Å; S515-I517 PolarHBondContact O-N 3.28Å; I517-L527 HydrophobicContact CG2-CD2 4.28Å; I517-L541 HydrophobicContact CD1-CD1 3.77Å; I517-A544 HydrophobicContact CD1-CB 3.72Å; I517-A544 HydrophobicContact CG1-CB 4.34Å; I517-L545 HydrophobicContact CD1-CD2 4.14Å; I517-N548 PolarHBondContact O-ND2 3.38Å; I517-L551 HydrophobicContact CB-CD1 4.43Å; I517-L551 HydrophobicContact CG2-CD1 4.08Å
518Q85.1Confident81.6Confident101 Ų10148.6 Ų48.647%0.47224%0.242SC..Hα-helixtrans-95.4-4.4178-70.6-175.5-37.300113.1V514 S515 L516 A544 S547V514-Q518 HydrophobicContact CG1-CG 4.46Å; V514-Q518 WeakPolarHBondContact O-CB 3.36Å; V514-Q518 WeakPolarHBondContact O-CG 3.4Å; V514-Q518 PolarHBondContact O-N 2.94Å; S515-Q518 CarbonylContact O-C 3.38Å; S515-Q518 PolarHBondContact O-N 3.13Å; L516-Q518 VanDerWaalsContact C-N 3.33Å; Q518-A544 HydrophobicContact CG-CB 4.18Å; Q518-S547 PolarHBondContact NE2-OG 2.82Å
519E82.4Confident82.1Confident79 Ų7943.3 Ų43.337%0.36922%0.217SC..SBendtrans-59.6136.2173.2-85.8173.5-153.500111.1S515 E521 C522S515-E519 WeakPolarHBondContact O-CG 3.17Å; S515-E519 PolarHBondContact O-N 3.15Å; E519-E521 PolarHBondContact O-N 2.66Å; E519-C522 WeakPolarHBondContact O-CB 3.38Å; E519-C522 PolarHBondContact O-N 2.77Å
520E73.8Confident82.6Confident202 Ų20245.3 Ų45.394%0.94423%0.229SC*.THydrogen-bonded Turntrans-60.2-31.3179.6-66.7-176.3172.200112.5
521E72.8Confident82.7Confident135 Ų13548.8 Ų48.863%0.63125%0.247SC*.THydrogen-bonded Turntrans-94.117.7176.4-60.6-174.5157.100112.8K488 E519 A523K488-E521 WeakPolarHBondContact CE-OE2 3.3Å; K488-E521 IonicContact NZ-OE2 2.73Å; K488-E521 PolarHBondContact NZ-OE2 3.5Å; E519-E521 PolarHBondContact O-N 2.66Å; E521-A523 PolarHBondContact O-N 3.44Å; E521-A523 VanDerWaalsContact O-N 3.1Å
522C75Confident82.8Confident19 Ų1943.9 Ų43.913%0.12823%0.225CC..  trans-57.2120177.7171.10000110.5E519 C550E519-C522 WeakPolarHBondContact O-CB 3.38Å; E519-C522 PolarHBondContact O-N 2.77Å; C522-C550 HydrophobicContact CB-CB 3.76Å; C522-C550 WeakPolarHBondContact CB-SG 3.5Å; C522-C550 WeakPolarHBondContact O-CB 3.12Å; C522-C550 WeakPolarHBondContact SG-CB 3.46Å; C522-C550 CovalentContact SG-SG 2.06Å; C522-C550 PolarHBondContact SG-SG 2.76Å
523A77.7Confident83.1Confident7 Ų747.4 Ų47.46%0.05824%0.236CC..  trans-106.8-2.8-178.600000112.7R491 T492 E521 Q525R491-A523 CarbonylContact O-C 3.43Å; R491-A523 WeakPolarHBondContact O-CB 3.28Å; T492-A523 VanDerWaalsContact CA-O 3.3Å; T492-A523 WeakPolarHBondContact CA-O 3.45Å; T492-A523 HydrophobicContact CG2-CB 3.69Å; E521-A523 PolarHBondContact O-N 3.44Å; E521-A523 VanDerWaalsContact O-N 3.1Å; A523-Q525 PolarHBondContact O-N 3.09Å
524L83.4Confident83.2Confident2 Ų247.4 Ų47.41%0.0124%0.236CC..  trans-68.9124.2-176.3-17067.9000111.1I489 L494 L496 L527 C550 L551I489-L524 HydrophobicContact CD1-CD1 4.49Å; L494-L524 HydrophobicContact CB-CD1 4.24Å; L494-L524 HydrophobicContact CD2-CD1 4.37Å; L494-L524 VanDerWaalsContact O-CD1 3.25Å; L494-L524 WeakPolarHBondContact O-CD1 3.03Å; L496-L524 HydrophobicContact CB-CD1 3.46Å; L496-L524 VanDerWaalsContact CB-CD1 3.46Å; L496-L524 HydrophobicContact CB-CD2 4.19Å; L496-L524 HydrophobicContact CB-CG 4.46Å; L496-L524 HydrophobicContact CD2-CD2 4.26Å; L524-L527 HydrophobicContact CD2-CB 4.06Å; L524-L527 HydrophobicContact CD2-CD1 4.23Å; L524-C550 CarbonylContact O-C 3.58Å; L524-C550 VanDerWaalsContact O-C 3.32Å; L524-L551 HydrophobicContact CB-CD2 4.23Å; L524-L551 HydrophobicContact CD2-CD2 3.96Å; L524-L551 HydrophobicContact CG-CD2 3.83Å; L524-L551 WeakPolarHBondContact O-CD2 3.26Å; L524-L551 PolarHBondContact O-N 3.36Å
525Q85.6Confident83.3Confident67 Ų6754.1 Ų54.131%0.31326%0.26SS..  trans-99.5-27.3179.6-69.2-169.54.600113.1T492 L494 A523 R552 K553T492-Q525 PolarHBondContact O-NE2 3.14Å; L494-Q525 PolarHBondContact O-N 3.45Å; A523-Q525 PolarHBondContact O-N 3.09Å; Q525-R552 PolarHBondContact O-N 2.93Å; Q525-K553 PolarHBondContact O-N 3.46Å
526S86.4Confident83.4Confident20 Ų2055.1 Ų55.114%0.1427%0.268CS..EExtended strand (participates in β ladder)trans-138.2131.2179.9-172.10000111.2L494 L496 K553L494-S526 PolarHBondContact O-N 2.75Å; L496-S526 PolarHBondContact N-O 3.02Å; S526-K553 VanDerWaalsContact CA-O 3.28Å; S526-K553 WeakPolarHBondContact CA-O 3.41Å
527L88.9Confident83.6Confident0 Ų059.4 Ų59.40%028%0.283CS..EExtended strand (participates in β ladder)trans-124.3127.4176176.664.4000109.8L496 L513 I517 L524 L529 L551 K553 V554 D555L496-L527 HydrophobicContact CD2-CD1 4.34Å; L496-L527 WeakPolarHBondContact O-CA 3.22Å; L513-L527 HydrophobicContact CD2-CD1 4.49Å; I517-L527 HydrophobicContact CG2-CD2 4.28Å; L524-L527 HydrophobicContact CD2-CB 4.06Å; L524-L527 HydrophobicContact CD2-CD1 4.23Å; L527-L529 HydrophobicContact CD1-CD2 4.23Å; L527-L529 HydrophobicContact CD1-CG 4.43Å; L527-L529 HydrophobicContact CD2-CD1 4.38Å; L527-L529 HydrophobicContact CD2-CG 4.43Å; L527-L529 HydrophobicContact CG-CG 4.23Å; L527-L551 HydrophobicContact CB-CD1 4.42Å; L527-L551 HydrophobicContact CB-CD2 3.92Å; L527-K553 PolarHBondContact N-O 2.97Å; L527-K553 VanDerWaalsContact N-O 3.12Å; L527-V554 HydrophobicContact CB-CG2 4.43Å; L527-V554 CarbonylContact O-C 3.51Å; L527-V554 VanDerWaalsContact O-CA 3.28Å; L527-V554 WeakPolarHBondContact O-CA 3.39Å; L527-D555 PolarHBondContact O-N 3.17Å
528S87.1Confident83.5Confident22 Ų2259.3 Ų59.315%0.15428%0.282CS..EExtended strand (participates in β ladder)trans-117123.8175.2174.80000110.7L496 V498 V530L496-S528 PolarHBondContact O-N 3.41Å; V498-S528 CarbonylContact C-O 3.44Å; V498-S528 PolarHBondContact N-O 3.02Å; S528-V530 WeakPolarHBondContact OG-CG2 3.48Å
529L86.9Confident83.6Confident0 Ų055.8 Ų55.80%027%0.268CS..  trans-123.436.4176.2-59.9-179.7000112.1V498 L500 L513 L527 S532 L534 L541 D555 L556 N559V498-L529 HydrophobicContact CB-CD2 3.85Å; V498-L529 HydrophobicContact CG1-CD2 4.28Å; V498-L529 WeakPolarHBondContact O-CA 3.45Å; V498-L529 WeakPolarHBondContact O-CD2 3.37Å; L500-L529 HydrophobicContact CD1-CD2 4.13Å; L500-L529 HydrophobicContact CG-CD2 4.23Å; L513-L529 HydrophobicContact CD1-CD2 4.07Å; L527-L529 HydrophobicContact CD1-CD2 4.23Å; L527-L529 HydrophobicContact CD1-CG 4.43Å; L527-L529 HydrophobicContact CD2-CD1 4.38Å; L527-L529 HydrophobicContact CD2-CG 4.43Å; L527-L529 HydrophobicContact CG-CG 4.23Å; L529-S532 VanDerWaalsContact O-CB 3.26Å; L529-S532 WeakPolarHBondContact O-CB 3.48Å; L529-S532 PolarHBondContact O-N 3.45Å; L529-S532 PolarHBondContact O-OG 3.47Å; L529-L534 HydrophobicContact CD1-CD1 4.17Å; L529-L541 HydrophobicContact CD1-CD2 3.09Å; L529-L541 HydrophobicContact CD1-CG 4.47Å; L529-L541 HydrophobicContact CG-CD2 4.45Å; L529-D555 PolarHBondContact N-O 2.94Å; L529-L556 HydrophobicContact CB-CD2 4.15Å; L529-L556 HydrophobicContact CD1-CD2 4.04Å; L529-L556 HydrophobicContact CG-CD2 4.44Å; L529-N559 PolarHBondContact O-ND2 2.91Å
530V85.1Confident84Confident42 Ų4254.8 Ų54.826%0.25527%0.267SS..THydrogen-bonded Turntrans-55138.7-178.4-179.20000111.3C499 S528 S532 D555 S557C499-V530 PolarHBondContact SG-O 3.3Å; S528-V530 WeakPolarHBondContact OG-CG2 3.48Å; V530-S532 PolarHBondContact O-N 3.23Å; V530-S532 PolarHBondContact O-OG 3Å; V530-D555 HydrophobicContact CG2-CB 4.13Å; V530-D555 WeakPolarHBondContact CG2-OD1 3.38Å; V530-D555 WeakPolarHBondContact CG2-OD2 3.26Å; V530-S557 CarbonylContact C-O 3.58Å; V530-S557 WeakPolarHBondContact CA-O 3.48Å; V530-S557 WeakPolarHBondContact CG2-OG 3.42Å
531D84Confident84.7Confident76 Ų7645.2 Ų45.241%0.40622%0.223SC..THydrogen-bonded Turntrans53.726174-70.7-41.8000115.1R533 S557 G558D531-R533 PolarHBondContact O-N 2.91Å; D531-S557 PolarHBondContact N-O 2.9Å; D531-G558 WeakPolarHBondContact CA-O 3.38Å; D531-G558 WeakPolarHBondContact OD1-CA 3.39Å
532S84.3Confident85.6Confident2 Ų238.8 Ų38.81%0.01419%0.193CC..  trans-77.2-3.2-176.5-70.60000114.7L500 L529 V530 L534 N559L500-S532 PolarHBondContact N-OG 3.22Å; L529-S532 VanDerWaalsContact O-CB 3.26Å; L529-S532 WeakPolarHBondContact O-CB 3.48Å; L529-S532 PolarHBondContact O-N 3.45Å; L529-S532 PolarHBondContact O-OG 3.47Å; V530-S532 PolarHBondContact O-N 3.23Å; V530-S532 PolarHBondContact O-OG 3Å; S532-L534 PolarHBondContact O-N 3.37Å; S532-N559 VanDerWaalsContact CA-OD1 3.31Å; S532-N559 WeakPolarHBondContact CA-OD1 3.36Å; S532-N559 WeakPolarHBondContact CB-OD1 3.5Å; S532-N559 PolarHBondContact N-OD1 3.43Å; S532-N559 VanDerWaalsContact N-OD1 3.09Å
533R83.8Confident86.3Confident140 Ų14042 Ų4253%0.52821%0.208SC..  trans50.640-178.6-60.7-177.1172.8179.52.3113.2H501 D531 R535 N559H501-R533 VanDerWaalsContact CD2-CD 3.44Å; H501-R533 WeakPolarHBondContact CD2-CD 3.45Å; H501-R533 PolarHBondContact CD2-NE 2.77Å; H501-R533 VanDerWaalsContact CD2-NE 3.29Å; H501-R533 PolarHBondContact NE2-NE 3.42Å; H501-R533 VanDerWaalsContact NE2-NE 3.13Å; H501-R533 PolarHBondContact NE2-NH1 3.29Å; H501-R533 PolarHBondContact NE2-NH2 2.99Å; D531-R533 PolarHBondContact O-N 2.91Å; R533-R535 VanDerWaalsContact C-N 3.29Å; R533-R535 PolarHBondContact O-N 3.49Å; R533-N559 PolarHBondContact N-OD1 2.89Å; R533-N559 VanDerWaalsContact N-OD1 3.09Å
534L85.4Confident87Confident0 Ų041.8 Ų41.80%021%0.207CC..  trans-60.8-38.2-177.5-63.2178.6000112.6L500 L506 L510 L529 S532 R537 N559L500-L534 HydrophobicContact CD1-CD2 4.02Å; L506-L534 HydrophobicContact CD1-CD2 4.26Å; L506-L534 HydrophobicContact CD2-CD2 4.13Å; L510-L534 HydrophobicContact CD1-CD2 4.11Å; L510-L534 HydrophobicContact CD2-CD2 3.74Å; L510-L534 HydrophobicContact CG-CD2 4.29Å; L529-L534 HydrophobicContact CD1-CD1 4.17Å; S532-L534 PolarHBondContact O-N 3.37Å; L534-R537 WeakPolarHBondContact O-CB 3.32Å; L534-R537 PolarHBondContact O-N 3.36Å; L534-N559 HydrophobicContact CB-CB 4.14Å; L534-N559 HydrophobicContact CD1-CB 4.43Å; L534-N559 HydrophobicContact CG-CB 4.35Å; L534-N559 VanDerWaalsContact CG-OD1 3.27Å; L534-N559 WeakPolarHBondContact CG-OD1 3.41Å; L534-N559 PolarHBondContact N-OD1 3.28Å
535R88Confident87.3Confident150 Ų15041.7 Ų41.757%0.56621%0.206SC*.G310 helixtrans52.5-143.7-173.1-56.1179.4-178.3-172.8-1.8110.9R533 R537 G538 N559 N560R533-R535 VanDerWaalsContact C-N 3.29Å; R533-R535 PolarHBondContact O-N 3.49Å; R535-R537 PolarHBondContact O-N 3.13Å; R535-R537 VanDerWaalsContact O-N 3.1Å; R535-G538 PolarHBondContact O-N 3.41Å; R535-G538 VanDerWaalsContact O-N 3.14Å; R535-N559 WeakPolarHBondContact CA-O 3.42Å; R535-N559 PolarHBondContact N-O 3.38Å; R535-N560 WeakPolarHBondContact CA-O 3.35Å; R535-N560 HydrophobicContact CG-CB 4.36Å
536S87.3Confident87.6Confident81 Ų8138.8 Ų38.857%0.56620%0.195SC*.G310 helixtrans-57-24.7177.857.20000114.5G538 T539S536-G538 VanDerWaalsContact C-N 3.29Å; S536-G538 PolarHBondContact O-N 3.08Å; S536-T539 WeakPolarHBondContact O-CB 3.4Å; S536-T539 VanDerWaalsContact O-CG2 3.26Å; S536-T539 WeakPolarHBondContact O-CG2 3.38Å; S536-T539 PolarHBondContact O-N 2.94Å; S536-T539 PolarHBondContact O-OG1 3.09Å
537R85.6Confident87.7Confident100 Ų10041.3 Ų41.338%0.37721%0.212SC..G310 helixtrans-69.5-26.5179.6-61.2175.5-76.6-175.51.6113.1D507 L510 L534 R535 T539 V540D507-R537 WeakPolarHBondContact OD1-CD 3.13Å; D507-R537 IonicContact OD1-NH1 3.83Å; L510-R537 HydrophobicContact CD1-CB 4Å; L534-R537 WeakPolarHBondContact O-CB 3.32Å; L534-R537 PolarHBondContact O-N 3.36Å; R535-R537 PolarHBondContact O-N 3.13Å; R535-R537 VanDerWaalsContact O-N 3.1Å; R537-T539 PolarHBondContact O-N 3.27Å; R537-T539 VanDerWaalsContact O-N 3.12Å; R537-V540 PolarHBondContact O-N 3.06Å
538G84.8Confident87.7Confident0 Ų041.5 Ų41.50%021%0.213CC..G310 helixtrans-62.6-17.1176.500000113.5R535 S536 V540 L541 V542R535-G538 PolarHBondContact O-N 3.41Å; R535-G538 VanDerWaalsContact O-N 3.14Å; S536-G538 VanDerWaalsContact C-N 3.29Å; S536-G538 PolarHBondContact O-N 3.08Å; G538-V540 PolarHBondContact O-N 2.98Å; G538-L541 WeakPolarHBondContact O-CB 3.21Å; G538-L541 PolarHBondContact O-N 2.64Å; G538-L541 VanDerWaalsContact O-N 3.09Å; G538-V542 PolarHBondContact O-N 3.07Å
539T88.4Confident87.7Confident28 Ų2845.6 Ų45.617%0.17224%0.237CC..Hα-helixtrans-59.8-30.2177.656.90000113S536 R537 L541 V542 N543 M561 I564 M568S536-T539 WeakPolarHBondContact O-CB 3.4Å; S536-T539 VanDerWaalsContact O-CG2 3.26Å; S536-T539 WeakPolarHBondContact O-CG2 3.38Å; S536-T539 PolarHBondContact O-N 2.94Å; S536-T539 PolarHBondContact O-OG1 3.09Å; R537-T539 PolarHBondContact O-N 3.27Å; R537-T539 VanDerWaalsContact O-N 3.12Å; T539-L541 VanDerWaalsContact C-N 3.33Å; T539-L541 PolarHBondContact O-N 3.1Å; T539-V542 PolarHBondContact O-N 3.49Å; T539-N543 WeakPolarHBondContact O-CB 3.4Å; T539-N543 VanDerWaalsContact O-CG 3.32Å; T539-N543 PolarHBondContact O-N 3.21Å; T539-N543 PolarHBondContact O-ND2 3.49Å; T539-M561 HydrophobicContact CG2-CE 4.34Å; T539-I564 HydrophobicContact CG2-CG2 4.3Å; T539-M568 HydrophobicContact CG2-CG 4Å
540V89.1Confident87.8Confident58 Ų5846.5 Ų46.535%0.35224%0.244SC..Hα-helixtrans-62.3-44175.7-176.30000110.6V514 R537 G538 N543 A544V514-V540 HydrophobicContact CG2-CG1 4.07Å; R537-V540 PolarHBondContact O-N 3.06Å; G538-V540 PolarHBondContact O-N 2.98Å; V540-N543 PolarHBondContact O-N 2.86Å; V540-A544 PolarHBondContact O-N 3.22Å; V540-A544 VanDerWaalsContact O-N 3.1Å
541L88.9Confident88Confident1 Ų144.5 Ų44.51%0.00523%0.231CC..Hα-helixtrans-66.3-45.2176.3-176.877.5000111.2L513 V514 I517 L529 G538 T539 N543 A544 L545 L556L513-L541 HydrophobicContact CB-CD1 4.46Å; V514-L541 HydrophobicContact CG2-CB 4.45Å; V514-L541 HydrophobicContact CG2-CD1 4.08Å; I517-L541 HydrophobicContact CD1-CD1 3.77Å; L529-L541 HydrophobicContact CD1-CD2 3.09Å; L529-L541 HydrophobicContact CD1-CG 4.47Å; L529-L541 HydrophobicContact CG-CD2 4.45Å; G538-L541 WeakPolarHBondContact O-CB 3.21Å; G538-L541 PolarHBondContact O-N 2.64Å; G538-L541 VanDerWaalsContact O-N 3.09Å; T539-L541 VanDerWaalsContact C-N 3.33Å; T539-L541 PolarHBondContact O-N 3.1Å; L541-N543 VanDerWaalsContact C-N 3.28Å; L541-N543 PolarHBondContact O-N 3.46Å; L541-A544 CarbonylContact O-C 3.59Å; L541-A544 WeakPolarHBondContact O-CA 3.2Å; L541-A544 WeakPolarHBondContact O-CB 3.49Å; L541-A544 PolarHBondContact O-N 3.09Å; L541-L545 WeakPolarHBondContact O-CG 3.34Å; L541-L545 PolarHBondContact O-N 3.33Å; L541-L556 HydrophobicContact CD2-CD2 3.87Å
542V91.4Very high88.3Confident0 Ų047.5 Ų47.50%024%0.237CC..Hα-helixtrans-59.9-40.4178.81740000111.4G538 T539 A544 L545 L556 M561 M568 L569 A572 W584G538-V542 PolarHBondContact O-N 3.07Å; T539-V542 PolarHBondContact O-N 3.49Å; V542-A544 VanDerWaalsContact C-N 3.34Å; V542-A544 PolarHBondContact O-N 3.46Å; V542-L545 WeakPolarHBondContact O-CB 3.32Å; V542-L545 PolarHBondContact O-N 3.08Å; V542-L556 HydrophobicContact CG2-CD1 3.83Å; V542-M561 HydrophobicContact CG2-CE 3.63Å; V542-M561 HydrophobicContact CG2-SD 4.43Å; V542-M568 HydrophobicContact CG1-CB 3.91Å; V542-L569 HydrophobicContact CG1-CB 3.95Å; V542-L569 HydrophobicContact CG1-CD1 4.31Å; V542-L569 VanDerWaalsContact CG1-N 3.31Å; V542-A572 HydrophobicContact CG1-CB 4.19Å; V542-A572 VanDerWaalsContact O-CB 3.23Å; V542-A572 WeakPolarHBondContact O-CB 3.3Å; V542-W584 HydrophobicContact CG2-CH2 4.15Å; V542-W584 HydrophobicContact CG2-CZ3 4.03Å
543N90.9Very high88.7Confident85 Ų8553.2 Ų53.246%0.45526%0.261SS..Hα-helixtrans-62.9-41.3173.7-75.5-20.3000111.9T539 V540 L541 L545 G546T539-N543 WeakPolarHBondContact O-CB 3.4Å; T539-N543 VanDerWaalsContact O-CG 3.32Å; T539-N543 PolarHBondContact O-N 3.21Å; T539-N543 PolarHBondContact O-ND2 3.49Å; V540-N543 PolarHBondContact O-N 2.86Å; L541-N543 VanDerWaalsContact C-N 3.28Å; L541-N543 PolarHBondContact O-N 3.46Å; N543-L545 PolarHBondContact O-N 3.2Å; N543-G546 PolarHBondContact O-N 2.98Å
544A90.8Very high89.1Confident3 Ų346.7 Ų46.73%0.02524%0.237CC..Hα-helixtrans-65.6-26.317700000113.1V514 I517 Q518 V540 L541 V542 G546 S547 N548V514-A544 HydrophobicContact CB-CB 4.4Å; V514-A544 HydrophobicContact CG1-CB 3.75Å; V514-A544 HydrophobicContact CG2-CB 4.09Å; I517-A544 HydrophobicContact CD1-CB 3.72Å; I517-A544 HydrophobicContact CG1-CB 4.34Å; Q518-A544 HydrophobicContact CG-CB 4.18Å; V540-A544 PolarHBondContact O-N 3.22Å; V540-A544 VanDerWaalsContact O-N 3.1Å; L541-A544 CarbonylContact O-C 3.59Å; L541-A544 WeakPolarHBondContact O-CA 3.2Å; L541-A544 WeakPolarHBondContact O-CB 3.49Å; L541-A544 PolarHBondContact O-N 3.09Å; V542-A544 VanDerWaalsContact C-N 3.34Å; V542-A544 PolarHBondContact O-N 3.46Å; A544-G546 PolarHBondContact O-N 3.15Å; A544-S547 PolarHBondContact O-N 2.73Å; A544-S547 PolarHBondContact O-OG 3.29Å; A544-N548 PolarHBondContact O-N 3.07Å
545L91.8Very high89.4Confident0 Ų048.5 Ų48.50%025%0.247CC..Hα-helixtrans-62.8-31170.5-63.6175.9000112.2I517 L541 V542 N543 S547 N548 L551 V554 L556 N576 L579I517-L545 HydrophobicContact CD1-CD2 4.14Å; L541-L545 WeakPolarHBondContact O-CG 3.34Å; L541-L545 PolarHBondContact O-N 3.33Å; V542-L545 WeakPolarHBondContact O-CB 3.32Å; V542-L545 PolarHBondContact O-N 3.08Å; N543-L545 PolarHBondContact O-N 3.2Å; L545-S547 VanDerWaalsContact C-N 3.32Å; L545-S547 PolarHBondContact O-N 3.08Å; L545-N548 WeakPolarHBondContact O-CB 3.4Å; L545-N548 PolarHBondContact O-N 3.22Å; L545-L551 HydrophobicContact CD2-CD1 3.56Å; L545-V554 HydrophobicContact CD1-CG1 4.1Å; L545-V554 HydrophobicContact CD1-CG2 4.29Å; L545-V554 HydrophobicContact CD2-CG2 4.47Å; L545-L556 HydrophobicContact CD1-CD1 4.15Å; L545-N576 PolarHBondContact O-ND2 3.44Å; L545-L579 HydrophobicContact CB-CD1 4.38Å
546G90.2Very high89.6Confident7 Ų741.3 Ų41.37%0.07222%0.22CC..Hα-helixtrans-60.8-40179.400000113.1N543 A544 I575N543-G546 PolarHBondContact O-N 2.98Å; A544-G546 PolarHBondContact O-N 3.15Å; G546-I575 WeakPolarHBondContact O-CG2 3.36Å
547S89.1Confident89.8Confident72 Ų7238.2 Ų38.250%0.50320%0.198SC..THydrogen-bonded Turntrans-90.9-2.7177.759.90000113.9Q518 A544 L545Q518-S547 PolarHBondContact NE2-OG 2.82Å; A544-S547 PolarHBondContact O-N 2.73Å; A544-S547 PolarHBondContact O-OG 3.29Å; L545-S547 VanDerWaalsContact C-N 3.32Å; L545-S547 PolarHBondContact O-N 3.08Å
548N89.3Confident90Very high4 Ų433.7 Ų33.72%0.02118%0.182CC..  trans-73.7138.8-176.3178-94.1000111.3I517 A544 L545 C550 L551 N576 T578I517-N548 PolarHBondContact O-ND2 3.38Å; A544-N548 PolarHBondContact O-N 3.07Å; L545-N548 WeakPolarHBondContact O-CB 3.4Å; L545-N548 PolarHBondContact O-N 3.22Å; N548-C550 PolarHBondContact ND2-SG 3.49Å; N548-C550 PolarHBondContact OD1-N 3Å; N548-L551 WeakPolarHBondContact OD1-CB 3.06Å; N548-L551 PolarHBondContact OD1-N 3.44Å; N548-N576 PolarHBondContact O-ND2 3.19Å; N548-T578 PolarHBondContact O-OG1 3.32Å
549T87.1Confident90.3Very high109 Ų10933.7 Ų33.767%0.66918%0.182SC*.SBendtrans-119.6-0.3-17855.40000113.7T578T549-T578 WeakPolarHBondContact O-CG2 3.4Å
550C87.9Confident90.4Very high19 Ų1935.9 Ų35.913%0.12819%0.193CC..SBendtrans-105-41.4-176.158.80000113.6C522 L524 N548C522-C550 HydrophobicContact CB-CB 3.76Å; C522-C550 WeakPolarHBondContact CB-SG 3.5Å; C522-C550 WeakPolarHBondContact O-CB 3.12Å; C522-C550 WeakPolarHBondContact SG-CB 3.46Å; C522-C550 CovalentContact SG-SG 2.06Å; C522-C550 PolarHBondContact SG-SG 2.76Å; L524-C550 CarbonylContact O-C 3.58Å; L524-C550 VanDerWaalsContact O-C 3.32Å; N548-C550 PolarHBondContact ND2-SG 3.49Å; N548-C550 PolarHBondContact OD1-N 3Å
551L90.6Very high90.6Very high0 Ų033.2 Ų33.20%018%0.177CC..  trans-71.6137.2-173-67.6167.5000111.3I517 L524 L527 L545 N548 T578 L579I517-L551 HydrophobicContact CB-CD1 4.43Å; I517-L551 HydrophobicContact CG2-CD1 4.08Å; L524-L551 HydrophobicContact CB-CD2 4.23Å; L524-L551 HydrophobicContact CD2-CD2 3.96Å; L524-L551 HydrophobicContact CG-CD2 3.83Å; L524-L551 WeakPolarHBondContact O-CD2 3.26Å; L524-L551 PolarHBondContact O-N 3.36Å; L527-L551 HydrophobicContact CB-CD1 4.42Å; L527-L551 HydrophobicContact CB-CD2 3.92Å; L545-L551 HydrophobicContact CD2-CD1 3.56Å; N548-L551 WeakPolarHBondContact OD1-CB 3.06Å; N548-L551 PolarHBondContact OD1-N 3.44Å; L551-T578 CarbonylContact O-C 3.36Å; L551-T578 PolarHBondContact O-OG1 3.09Å; L551-L579 HydrophobicContact CB-CD2 3.87Å; L551-L579 PolarHBondContact O-N 3.45Å
552R90.6Very high90.9Very high139 Ų13936.4 Ų36.453%0.52519%0.194SC..SBendtrans-111.2-27172-64.3-173.4176.3-144.4-0.1111.9Q525 R580 S581Q525-R552 PolarHBondContact O-N 2.93Å; R552-R580 HydrophobicContact CB-CG 4.45Å; R552-R580 WeakPolarHBondContact O-CA 3.29Å; R552-R580 PolarHBondContact O-N 3.06Å; R552-S581 PolarHBondContact O-N 3.45Å
553K91.1Very high91.1Very high121 Ų12139.1 Ų39.153%0.52621%0.208SC..EExtended strand (participates in β ladder)trans-133.2137.6180-56.8-171.5177.5176.30110.2Q525 S526 L527 S581Q525-K553 PolarHBondContact O-N 3.46Å; S526-K553 VanDerWaalsContact CA-O 3.28Å; S526-K553 WeakPolarHBondContact CA-O 3.41Å; L527-K553 PolarHBondContact N-O 2.97Å; L527-K553 VanDerWaalsContact N-O 3.12Å; K553-S581 WeakPolarHBondContact CA-O 3.38Å
554V92.8Very high91.1Very high3 Ų340.4 Ų40.42%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-138.4134.3170.771.30000110.5L527 L545 L556 L579 S581 V582 T583L527-V554 HydrophobicContact CB-CG2 4.43Å; L527-V554 CarbonylContact O-C 3.51Å; L527-V554 VanDerWaalsContact O-CA 3.28Å; L527-V554 WeakPolarHBondContact O-CA 3.39Å; L545-V554 HydrophobicContact CD1-CG1 4.1Å; L545-V554 HydrophobicContact CD1-CG2 4.29Å; L545-V554 HydrophobicContact CD2-CG2 4.47Å; V554-L556 HydrophobicContact CG2-CD1 4.36Å; V554-L556 HydrophobicContact CG2-CD2 4.04Å; V554-L556 HydrophobicContact CG2-CG 3.92Å; V554-L579 HydrophobicContact CB-CD2 4.47Å; V554-L579 HydrophobicContact CG1-CD2 4.3Å; V554-S581 PolarHBondContact N-O 3.28Å; V554-V582 HydrophobicContact CG1-CB 4.27Å; V554-V582 HydrophobicContact CG1-CG1 3.97Å; V554-V582 HydrophobicContact CG1-CG2 3.93Å; V554-V582 WeakPolarHBondContact O-CA 3.42Å; V554-T583 PolarHBondContact O-N 3.16Å
555D91.4Very high91.3Very high38 Ų3840.3 Ų40.320%0.20321%0.213CC..EExtended strand (participates in β ladder)trans-113.1113.5172-165.3-24.1000109.8L527 L529 V530 S557 T583L527-D555 PolarHBondContact O-N 3.17Å; L529-D555 PolarHBondContact N-O 2.94Å; V530-D555 HydrophobicContact CG2-CB 4.13Å; V530-D555 WeakPolarHBondContact CG2-OD1 3.38Å; V530-D555 WeakPolarHBondContact CG2-OD2 3.26Å; D555-S557 VanDerWaalsContact OD1-CB 3.26Å; D555-S557 WeakPolarHBondContact OD1-CB 3.39Å; D555-S557 PolarHBondContact OD1-N 3.21Å; D555-S557 PolarHBondContact OD1-OG 3.32Å; D555-T583 WeakPolarHBondContact OD1-CB 3.45Å
556L92.2Very high91.4Very high0 Ų040.3 Ų40.30%021%0.213CC..  trans-11620.3178.6-61.5176000111.2L529 L541 V542 L545 V554 N559 T583 W584 N587L529-L556 HydrophobicContact CB-CD2 4.15Å; L529-L556 HydrophobicContact CD1-CD2 4.04Å; L529-L556 HydrophobicContact CG-CD2 4.44Å; L541-L556 HydrophobicContact CD2-CD2 3.87Å; V542-L556 HydrophobicContact CG2-CD1 3.83Å; L545-L556 HydrophobicContact CD1-CD1 4.15Å; V554-L556 HydrophobicContact CG2-CD1 4.36Å; V554-L556 HydrophobicContact CG2-CD2 4.04Å; V554-L556 HydrophobicContact CG2-CG 3.92Å; L556-N559 VanDerWaalsContact C-ND2 3.29Å; L556-N559 PolarHBondContact O-ND2 3.01Å; L556-T583 PolarHBondContact N-O 2.85Å; L556-W584 HydrophobicContact CB-CE3 3.91Å; L556-W584 HydrophobicContact CB-CZ3 4.08Å; L556-W584 HydrophobicContact CD1-CE3 3.98Å; L556-W584 HydrophobicContact CD1-CZ3 3.55Å; L556-W584 HydrophobicContact CG-CZ3 4.46Å; L556-N587 PolarHBondContact O-ND2 3.33Å
557S91.6Very high91.6Very high15 Ų1544.9 Ų44.911%0.10523%0.231CC..THydrogen-bonded Turntrans-64.6150.5-177.7590000113.3V530 D531 D555 N559 D585V530-S557 CarbonylContact C-O 3.58Å; V530-S557 WeakPolarHBondContact CA-O 3.48Å; V530-S557 WeakPolarHBondContact CG2-OG 3.42Å; D531-S557 PolarHBondContact N-O 2.9Å; D555-S557 VanDerWaalsContact OD1-CB 3.26Å; D555-S557 WeakPolarHBondContact OD1-CB 3.39Å; D555-S557 PolarHBondContact OD1-N 3.21Å; D555-S557 PolarHBondContact OD1-OG 3.32Å; S557-N559 PolarHBondContact O-N 3.09Å; S557-N559 PolarHBondContact O-ND2 2.97Å; S557-D585 CarbonylContact C-O 3.59Å; S557-D585 WeakPolarHBondContact CA-O 3.17Å; S557-D585 WeakPolarHBondContact CB-O 3.46Å
558G89.5Confident91.8Very high5 Ų543.1 Ų43.15%0.05222%0.216CC..THydrogen-bonded Turntrans73.422.3174.700000115.5D531 D585 R586D531-G558 WeakPolarHBondContact CA-O 3.38Å; D531-G558 WeakPolarHBondContact OD1-CA 3.39Å; G558-D585 PolarHBondContact N-O 2.89Å; G558-R586 WeakPolarHBondContact CA-O 3.35Å
559N91.1Very high92.1Very high0 Ų043.2 Ų43.20%022%0.216CC..  trans-102.1-1.6-173.4-79.7-58.8000116L529 S532 R533 L534 R535 L556 S557 M561 N587L529-N559 PolarHBondContact O-ND2 2.91Å; S532-N559 VanDerWaalsContact CA-OD1 3.31Å; S532-N559 WeakPolarHBondContact CA-OD1 3.36Å; S532-N559 WeakPolarHBondContact CB-OD1 3.5Å; S532-N559 PolarHBondContact N-OD1 3.43Å; S532-N559 VanDerWaalsContact N-OD1 3.09Å; R533-N559 PolarHBondContact N-OD1 2.89Å; R533-N559 VanDerWaalsContact N-OD1 3.09Å; L534-N559 HydrophobicContact CB-CB 4.14Å; L534-N559 HydrophobicContact CD1-CB 4.43Å; L534-N559 HydrophobicContact CG-CB 4.35Å; L534-N559 VanDerWaalsContact CG-OD1 3.27Å; L534-N559 WeakPolarHBondContact CG-OD1 3.41Å; L534-N559 PolarHBondContact N-OD1 3.28Å; R535-N559 WeakPolarHBondContact CA-O 3.42Å; R535-N559 PolarHBondContact N-O 3.38Å; L556-N559 VanDerWaalsContact C-ND2 3.29Å; L556-N559 PolarHBondContact O-ND2 3.01Å; S557-N559 PolarHBondContact O-N 3.09Å; S557-N559 PolarHBondContact O-ND2 2.97Å; N559-M561 VanDerWaalsContact C-N 3.28Å; N559-M561 HydrophobicContact CB-CG 3.79Å; N559-M561 HydrophobicContact CB-SD 4.18Å; N559-M561 PolarHBondContact O-N 2.94Å; N559-N587 WeakPolarHBondContact CA-OD1 3.29Å; N559-N587 WeakPolarHBondContact CB-OD1 3.38Å; N559-N587 PolarHBondContact N-OD1 3.03Å
560N92Very high92.4Very high74 Ų7438.4 Ų38.440%0.39619%0.187SC..  trans49.345.6-179.6-60.2101000113R535 D562 N587R535-N560 WeakPolarHBondContact CA-O 3.35Å; R535-N560 HydrophobicContact CG-CB 4.36Å; N560-D562 VanDerWaalsContact C-N 3.3Å; N560-N587 CarbonylContact C-O 3.37Å; N560-N587 PolarHBondContact N-OD1 3.41Å
561M93Very high92.7Very high2 Ų242.5 Ų42.51%0.0120%0.202CC..  trans-81.8-7.2-176.8-60-173.459.400114.3T539 V542 N559 G565 W584 N587T539-M561 HydrophobicContact CG2-CE 4.34Å; V542-M561 HydrophobicContact CG2-CE 3.63Å; V542-M561 HydrophobicContact CG2-SD 4.43Å; N559-M561 VanDerWaalsContact C-N 3.28Å; N559-M561 HydrophobicContact CB-CG 3.79Å; N559-M561 HydrophobicContact CB-SD 4.18Å; N559-M561 PolarHBondContact O-N 2.94Å; M561-G565 PolarHBondContact O-N 3.36Å; M561-W584 HydrophobicContact CB-CH2 4.23Å; M561-W584 HydrophobicContact CB-CZ2 3.98Å; M561-W584 HydrophobicContact CE-CH2 3.81Å; M561-W584 HydrophobicContact CG-CH2 4.5Å; M561-W584 HydrophobicContact SD-CH2 3.59Å; M561-W584 VanDerWaalsContact SD-CH2 3.59Å; M561-W584 HydrophobicContact SD-CZ2 4.23Å; M561-W584 HydrophobicContact SD-CZ3 4.09Å; M561-N587 WeakPolarHBondContact CG-OD1 3.19Å; M561-N587 PolarHBondContact N-O 3.02Å; M561-N587 PolarHBondContact N-OD1 3.12Å
562D94.5Very high92.8Very high69 Ų6942.7 Ų42.737%0.36920%0.204SC..Hα-helixtrans56-167.6179-54.4-41000113.2N560 I564 G565 A566 N587 N588N560-D562 VanDerWaalsContact C-N 3.3Å; D562-I564 PolarHBondContact O-N 2.93Å; D562-G565 PolarHBondContact O-N 2.97Å; D562-A566 PolarHBondContact O-N 3.48Å; D562-N587 PolarHBondContact N-O 3.33Å; D562-N588 WeakPolarHBondContact OD1-CB 3.46Å; D562-N588 PolarHBondContact OD1-ND2 3.48Å
563D94.8Very high92.9Very high56 Ų5636.9 Ų36.930%0.29918%0.183SC..Hα-helixtrans-63.4-27.8179.1-71.8-18000113G565 A566 K567 S590 G593D563-G565 VanDerWaalsContact C-N 3.35Å; D563-A566 PolarHBondContact O-N 2.98Å; D563-K567 WeakPolarHBondContact O-CB 3.47Å; D563-K567 PolarHBondContact O-N 2.92Å; D563-S590 WeakPolarHBondContact OD1-CB 3.28Å; D563-S590 PolarHBondContact OD1-N 3.36Å; D563-S590 PolarHBondContact OD1-OG 3.34Å; D563-S590 VanDerWaalsContact OD1-OG 3.07Å; D563-S590 WeakPolarHBondContact OD2-CB 3.47Å; D563-S590 PolarHBondContact OD2-OG 3.33Å; D563-G593 PolarHBondContact OD1-N 2.97Å
564I92.9Very high92.9Very high113 Ų11335.6 Ų35.658%0.57918%0.179SC*.Hα-helixtrans-64.1-43.7176.5-62.4172.9000110T539 D562 K567 M568T539-I564 HydrophobicContact CG2-CG2 4.3Å; D562-I564 PolarHBondContact O-N 2.93Å; I564-K567 PolarHBondContact O-N 2.97Å; I564-M568 WeakPolarHBondContact O-CG 3.33Å; I564-M568 PolarHBondContact O-N 3.34Å
565G93.9Very high92.8Very high0 Ų041.1 Ų41.10%021%0.207CC..Hα-helixtrans-60.4-45.9174.900000112.3M561 D562 D563 K567 M568 L569 W584M561-G565 PolarHBondContact O-N 3.36Å; D562-G565 PolarHBondContact O-N 2.97Å; D563-G565 VanDerWaalsContact C-N 3.35Å; G565-K567 VanDerWaalsContact C-N 3.34Å; G565-K567 PolarHBondContact O-N 3.36Å; G565-M568 PolarHBondContact O-N 2.9Å; G565-L569 PolarHBondContact O-N 3.22Å; G565-W584 VanDerWaalsContact C-CZ2 3.43Å
566A94.5Very high92.9Very high0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-62.7-40.1178.900000112.3D562 D563 M568 L569 S570 T589 V597D562-A566 PolarHBondContact O-N 3.48Å; D563-A566 PolarHBondContact O-N 2.98Å; A566-M568 VanDerWaalsContact C-N 3.34Å; A566-M568 PolarHBondContact O-N 2.67Å; A566-L569 WeakPolarHBondContact O-CB 3.32Å; A566-L569 PolarHBondContact O-N 3.38Å; A566-S570 PolarHBondContact O-N 3.31Å; A566-T589 HydrophobicContact CB-CG2 3.54Å; A566-V597 HydrophobicContact CB-CG2 4.18Å; A566-V597 WeakPolarHBondContact O-CG2 3.46Å
567K94Very high92.7Very high103 Ų10344.4 Ų44.445%0.44823%0.229SC..Hα-helixtrans-66.6-31.9174.6-175.1173-174.9170.40113.6D563 I564 G565 S570D563-K567 WeakPolarHBondContact O-CB 3.47Å; D563-K567 PolarHBondContact O-N 2.92Å; I564-K567 PolarHBondContact O-N 2.97Å; G565-K567 VanDerWaalsContact C-N 3.34Å; G565-K567 PolarHBondContact O-N 3.36Å; K567-S570 PolarHBondContact O-OG 3.23Å
568M93.9Very high92.7Very high36 Ų3645 Ų4518%0.17723%0.232CC..Hα-helixtrans-73.8-39172.3-67.4-58.897.300110.8T539 V542 I564 G565 A566 S570 K571 A572T539-M568 HydrophobicContact CG2-CG 4Å; V542-M568 HydrophobicContact CG1-CB 3.91Å; I564-M568 WeakPolarHBondContact O-CG 3.33Å; I564-M568 PolarHBondContact O-N 3.34Å; G565-M568 PolarHBondContact O-N 2.9Å; A566-M568 VanDerWaalsContact C-N 3.34Å; A566-M568 PolarHBondContact O-N 2.67Å; M568-S570 VanDerWaalsContact C-N 3.32Å; M568-S570 PolarHBondContact O-N 3.37Å; M568-K571 HydrophobicContact CE-CD 4.02Å; M568-K571 PolarHBondContact O-N 2.96Å; M568-A572 PolarHBondContact O-N 2.93Å
569L94.9Very high92.9Very high5 Ų545.7 Ų45.73%0.02623%0.234CC..Hα-helixtrans-60.6-43.6176178.969000111V542 G565 A566 K571 A572 L573 V582 W584 V597V542-L569 HydrophobicContact CG1-CB 3.95Å; V542-L569 HydrophobicContact CG1-CD1 4.31Å; V542-L569 VanDerWaalsContact CG1-N 3.31Å; G565-L569 PolarHBondContact O-N 3.22Å; A566-L569 WeakPolarHBondContact O-CB 3.32Å; A566-L569 PolarHBondContact O-N 3.38Å; L569-K571 VanDerWaalsContact C-N 3.31Å; L569-K571 PolarHBondContact O-N 3.45Å; L569-A572 WeakPolarHBondContact O-CB 3.37Å; L569-A572 PolarHBondContact O-N 3.44Å; L569-A572 VanDerWaalsContact O-N 3.12Å; L569-L573 HydrophobicContact CD1-CD1 4.24Å; L569-L573 HydrophobicContact CD1-CG 4.14Å; L569-L573 HydrophobicContact CD2-CD1 4.34Å; L569-L573 HydrophobicContact CG-CD1 3.87Å; L569-L573 HydrophobicContact CG-CG 4.21Å; L569-L573 VanDerWaalsContact O-CG 3.29Å; L569-L573 WeakPolarHBondContact O-CG 3.44Å; L569-L573 PolarHBondContact O-N 2.87Å; L569-V582 HydrophobicContact CD1-CG1 4.18Å; L569-V582 HydrophobicContact CD2-CG1 4.12Å; L569-W584 HydrophobicContact CB-CH2 4.19Å; L569-W584 HydrophobicContact CB-CZ3 4.13Å; L569-W584 HydrophobicContact CD1-CZ3 4.32Å; L569-W584 HydrophobicContact CD2-CD2 3.83Å; L569-W584 HydrophobicContact CD2-CE3 3.58Å; L569-W584 HydrophobicContact CD2-CG 4.3Å; L569-W584 HydrophobicContact CD2-CZ3 3.92Å; L569-W584 HydrophobicContact CG-CE3 4.45Å; L569-W584 HydrophobicContact CG-CZ3 4.34Å; L569-V597 HydrophobicContact CD2-CG2 4.47Å
570S93.4Very high93Very high8 Ų854.5 Ų54.56%0.05627%0.267CS..Hα-helixtrans-58.4-43.3178.569.80000112.2A566 K567 M568 L573 Q574 D596 A600A566-S570 PolarHBondContact O-N 3.31Å; K567-S570 PolarHBondContact O-OG 3.23Å; M568-S570 VanDerWaalsContact C-N 3.32Å; M568-S570 PolarHBondContact O-N 3.37Å; S570-L573 PolarHBondContact O-N 3.22Å; S570-Q574 WeakPolarHBondContact O-CG 3.4Å; S570-Q574 PolarHBondContact O-N 3.47Å; S570-Q574 VanDerWaalsContact O-N 3.17Å; S570-D596 WeakPolarHBondContact CB-O 3.48Å; S570-A600 VanDerWaalsContact O-CB 3.27Å; S570-A600 WeakPolarHBondContact O-CB 3.45Å
571K93.3Very high93Very high105 Ų10553.4 Ų53.446%0.45727%0.266SS..Hα-helixtrans-64.9-41.6174-67.3-179.1179.5-170.30112.8M568 L569 L573 Q574M568-K571 HydrophobicContact CE-CD 4.02Å; M568-K571 PolarHBondContact O-N 2.96Å; L569-K571 VanDerWaalsContact C-N 3.31Å; L569-K571 PolarHBondContact O-N 3.45Å; K571-L573 VanDerWaalsContact C-N 3.32Å; K571-Q574 PolarHBondContact O-N 3.43Å
572A93.3Very high93.1Very high5 Ų555.6 Ų55.64%0.04128%0.279CS..Hα-helixtrans-62.7-41.6178.100000111.2V542 M568 L569 I575 N576V542-A572 HydrophobicContact CG1-CB 4.19Å; V542-A572 VanDerWaalsContact O-CB 3.23Å; V542-A572 WeakPolarHBondContact O-CB 3.3Å; M568-A572 PolarHBondContact O-N 2.93Å; L569-A572 WeakPolarHBondContact O-CB 3.37Å; L569-A572 PolarHBondContact O-N 3.44Å; L569-A572 VanDerWaalsContact O-N 3.12Å; A572-I575 PolarHBondContact O-N 2.97Å; A572-N576 VanDerWaalsContact O-CB 3.28Å; A572-N576 WeakPolarHBondContact O-CB 3.11Å; A572-N576 PolarHBondContact O-N 3.06Å
573L92.5Very high93.1Very high17 Ų1755.1 Ų55.19%0.08928%0.279CS..Hα-helixtrans-65.5-37.4178.4-69.3172.2000112.6L569 S570 K571 I575 L579 V582 V597 L601 F604L569-L573 HydrophobicContact CD1-CD1 4.24Å; L569-L573 HydrophobicContact CD1-CG 4.14Å; L569-L573 HydrophobicContact CD2-CD1 4.34Å; L569-L573 HydrophobicContact CG-CD1 3.87Å; L569-L573 HydrophobicContact CG-CG 4.21Å; L569-L573 VanDerWaalsContact O-CG 3.29Å; L569-L573 WeakPolarHBondContact O-CG 3.44Å; L569-L573 PolarHBondContact O-N 2.87Å; S570-L573 PolarHBondContact O-N 3.22Å; K571-L573 VanDerWaalsContact C-N 3.32Å; L573-I575 PolarHBondContact O-N 3.32Å; L573-I575 VanDerWaalsContact O-N 3.17Å; L573-L579 HydrophobicContact CD2-CD1 4.44Å; L573-V582 HydrophobicContact CD2-CG2 4.07Å; L573-V597 HydrophobicContact CD1-CG1 4.3Å; L573-L601 HydrophobicContact CD1-CD2 4.31Å; L573-F604 VanDerWaalsContact O-CE2 3.23Å; L573-F604 WeakPolarHBondContact O-CE2 3.47Å
574Q91.4Very high93Very high94 Ų9453.5 Ų53.544%0.43927%0.269SS..Hα-helixtrans-60.1-25.7176.2-74.6173.3-4.200113.7S570 K571 A600S570-Q574 WeakPolarHBondContact O-CG 3.4Å; S570-Q574 PolarHBondContact O-N 3.47Å; S570-Q574 VanDerWaalsContact O-N 3.17Å; K571-Q574 PolarHBondContact O-N 3.43Å; Q574-A600 HydrophobicContact CG-CB 3.79Å
575I91.5Very high93.1Very high119 Ų11953.3 Ų53.361%0.6127%0.269SS*.Hα-helixtrans-101.2-38.5-176.7-55.9170.2000110.8G546 A572 L573 T577G546-I575 WeakPolarHBondContact O-CG2 3.36Å; A572-I575 PolarHBondContact O-N 2.97Å; L573-I575 PolarHBondContact O-N 3.32Å; L573-I575 VanDerWaalsContact O-N 3.17Å; I575-T577 PolarHBondContact O-N 3.29Å
576N91.9Very high93Very high3 Ų361.4 Ų61.42%0.01630%0.299CS..  trans-71.1127-175.5-175.9-73.5000111.3L545 N548 A572 T578 L579 F604L545-N576 PolarHBondContact O-ND2 3.44Å; N548-N576 PolarHBondContact O-ND2 3.19Å; A572-N576 VanDerWaalsContact O-CB 3.28Å; A572-N576 WeakPolarHBondContact O-CB 3.11Å; A572-N576 PolarHBondContact O-N 3.06Å; N576-T578 PolarHBondContact OD1-N 3.4Å; N576-T578 PolarHBondContact OD1-OG1 3.27Å; N576-L579 HydrophobicContact CB-CD1 4.34Å; N576-L579 VanDerWaalsContact OD1-CB 3.29Å; N576-L579 WeakPolarHBondContact OD1-CB 3.41Å; N576-L579 WeakPolarHBondContact OD1-CG 3.42Å; N576-L579 PolarHBondContact OD1-N 2.92Å; N576-F604 WeakPolarHBondContact O-CZ 3.47Å
577T89.8Confident93Very high103 Ų10361.6 Ų61.663%0.63230%0.3SS*.SBendtrans-107.51.6-179.359.80000114.2I575I575-T577 PolarHBondContact O-N 3.29Å
578T91.3Very high93Very high29 Ų2962.1 Ų62.118%0.17831%0.308CS..SBendtrans-113-29.8-168.964.30000113.7N548 T549 L551 N576N548-T578 PolarHBondContact O-OG1 3.32Å; T549-T578 WeakPolarHBondContact O-CG2 3.4Å; L551-T578 CarbonylContact O-C 3.36Å; L551-T578 PolarHBondContact O-OG1 3.09Å; N576-T578 PolarHBondContact OD1-N 3.4Å; N576-T578 PolarHBondContact OD1-OG1 3.27Å
579L92.2Very high93.1Very high19 Ų1961.4 Ų61.410%0.09931%0.306CS..  trans-62.4133.6176.9-74172.3000110.3L545 L551 V554 L573 N576 V582L545-L579 HydrophobicContact CB-CD1 4.38Å; L551-L579 HydrophobicContact CB-CD2 3.87Å; L551-L579 PolarHBondContact O-N 3.45Å; V554-L579 HydrophobicContact CB-CD2 4.47Å; V554-L579 HydrophobicContact CG1-CD2 4.3Å; L573-L579 HydrophobicContact CD2-CD1 4.44Å; N576-L579 HydrophobicContact CB-CD1 4.34Å; N576-L579 VanDerWaalsContact OD1-CB 3.29Å; N576-L579 WeakPolarHBondContact OD1-CB 3.41Å; N576-L579 WeakPolarHBondContact OD1-CG 3.42Å; N576-L579 PolarHBondContact OD1-N 2.92Å; L579-V582 HydrophobicContact CD1-CG2 4.46Å
580R93.2Very high93.1Very high184 Ų18463.6 Ų63.669%0.69432%0.321SS*.  trans-118.5-23.9179.5-58.4-57.4-178.9-165.6-1.6112.4R552R552-R580 HydrophobicContact CB-CG 4.45Å; R552-R580 WeakPolarHBondContact O-CA 3.29Å; R552-R580 PolarHBondContact O-N 3.06Å
581S93.4Very high93.2Very high52 Ų5267.3 Ų67.336%0.36435%0.353SS..EExtended strand (participates in β ladder)trans-142.4132.1179.5-167.50000110.6R552 K553 V554R552-S581 PolarHBondContact O-N 3.45Å; K553-S581 WeakPolarHBondContact CA-O 3.38Å; V554-S581 PolarHBondContact N-O 3.28Å
582V93.9Very high93.2Very high48 Ų4865 Ų6529%0.29135%0.353SS..EExtended strand (participates in β ladder)trans-130121.5171.7-178.70000108.5V554 L569 L573 L579V554-V582 HydrophobicContact CG1-CB 4.27Å; V554-V582 HydrophobicContact CG1-CG1 3.97Å; V554-V582 HydrophobicContact CG1-CG2 3.93Å; V554-V582 WeakPolarHBondContact O-CA 3.42Å; L569-V582 HydrophobicContact CD1-CG1 4.18Å; L569-V582 HydrophobicContact CD2-CG1 4.12Å; L573-V582 HydrophobicContact CD2-CG2 4.07Å; L579-V582 HydrophobicContact CD1-CG2 4.46Å
583T94.5Very high93.2Very high58 Ų5864.8 Ų64.836%0.35635%0.351SS..EExtended strand (participates in β ladder)trans-100.1123.2171.5-51.70000108.9V554 D555 L556V554-T583 PolarHBondContact O-N 3.16Å; D555-T583 WeakPolarHBondContact OD1-CB 3.45Å; L556-T583 PolarHBondContact N-O 2.85Å
584W94.1Very high93.4Very high23 Ų2369.3 Ų69.39%0.08737%0.371CS..  trans-129.912.5-172.1-168.3-93.7000113.8V542 L556 M561 G565 L569 N587 T589V542-W584 HydrophobicContact CG2-CH2 4.15Å; V542-W584 HydrophobicContact CG2-CZ3 4.03Å; L556-W584 HydrophobicContact CB-CE3 3.91Å; L556-W584 HydrophobicContact CB-CZ3 4.08Å; L556-W584 HydrophobicContact CD1-CE3 3.98Å; L556-W584 HydrophobicContact CD1-CZ3 3.55Å; L556-W584 HydrophobicContact CG-CZ3 4.46Å; M561-W584 HydrophobicContact CB-CH2 4.23Å; M561-W584 HydrophobicContact CB-CZ2 3.98Å; M561-W584 HydrophobicContact CE-CH2 3.81Å; M561-W584 HydrophobicContact CG-CH2 4.5Å; M561-W584 HydrophobicContact SD-CH2 3.59Å; M561-W584 VanDerWaalsContact SD-CH2 3.59Å; M561-W584 HydrophobicContact SD-CZ2 4.23Å; M561-W584 HydrophobicContact SD-CZ3 4.09Å; G565-W584 VanDerWaalsContact C-CZ2 3.43Å; L569-W584 HydrophobicContact CB-CH2 4.19Å; L569-W584 HydrophobicContact CB-CZ3 4.13Å; L569-W584 HydrophobicContact CD1-CZ3 4.32Å; L569-W584 HydrophobicContact CD2-CD2 3.83Å; L569-W584 HydrophobicContact CD2-CE3 3.58Å; L569-W584 HydrophobicContact CD2-CG 4.3Å; L569-W584 HydrophobicContact CD2-CZ3 3.92Å; L569-W584 HydrophobicContact CG-CE3 4.45Å; L569-W584 HydrophobicContact CG-CZ3 4.34Å; W584-N587 HydrophobicContact CD2-CB 4.49Å; W584-N587 HydrophobicContact CG-CB 4.48Å; W584-N587 HydrophobicContact CZ2-CB 4.39Å; W584-N587 PolarHBondContact O-ND2 3.1Å; W584-T589 PolarHBondContact NE1-OG1 3.12Å
585D93.4Very high93.5Very high109 Ų10969 Ų6958%0.58337%0.371SS*.THydrogen-bonded Turntrans-61.5159-176.2-167.120.8000113S557 G558 N587S557-D585 CarbonylContact C-O 3.59Å; S557-D585 WeakPolarHBondContact CA-O 3.17Å; S557-D585 WeakPolarHBondContact CB-O 3.46Å; G558-D585 PolarHBondContact N-O 2.89Å; D585-N587 VanDerWaalsContact C-N 3.26Å; D585-N587 PolarHBondContact O-N 3.18Å; D585-N587 PolarHBondContact O-ND2 3.44Å
586R92.6Very high93.6Very high170 Ų17065.3 Ų65.364%0.64235%0.353SS*.THydrogen-bonded Turntrans56.732.2177.5-54.6178.6-177.8-179.4-0.7114.9G558G558-R586 WeakPolarHBondContact CA-O 3.35Å
587N94.1Very high93.7Very high3 Ų366.2 Ų66.22%0.01636%0.358CS..SBendtrans-96.25.8175.4-87.1-64.7000115.2L556 N559 N560 M561 D562 W584 D585 T589L556-N587 PolarHBondContact O-ND2 3.33Å; N559-N587 WeakPolarHBondContact CA-OD1 3.29Å; N559-N587 WeakPolarHBondContact CB-OD1 3.38Å; N559-N587 PolarHBondContact N-OD1 3.03Å; N560-N587 CarbonylContact C-O 3.37Å; N560-N587 PolarHBondContact N-OD1 3.41Å; M561-N587 WeakPolarHBondContact CG-OD1 3.19Å; M561-N587 PolarHBondContact N-O 3.02Å; M561-N587 PolarHBondContact N-OD1 3.12Å; D562-N587 PolarHBondContact N-O 3.33Å; W584-N587 HydrophobicContact CD2-CB 4.49Å; W584-N587 HydrophobicContact CG-CB 4.48Å; W584-N587 HydrophobicContact CZ2-CB 4.39Å; W584-N587 PolarHBondContact O-ND2 3.1Å; D585-N587 VanDerWaalsContact C-N 3.26Å; D585-N587 PolarHBondContact O-N 3.18Å; D585-N587 PolarHBondContact O-ND2 3.44Å; N587-T589 PolarHBondContact O-N 3.19Å
588N94.6Very high94Very high115 Ų11563.3 Ų63.362%0.61535%0.345SS*.  trans57.334.2-176-16748.8000112.8D562D562-N588 WeakPolarHBondContact OD1-CB 3.46Å; D562-N588 PolarHBondContact OD1-ND2 3.48Å
589T94.9Very high94Very high21 Ų2168 Ų6813%0.12936%0.359CS..  trans-81.4129.1176.9-56.50000109.9A566 W584 N587 F594A566-T589 HydrophobicContact CB-CG2 3.54Å; W584-T589 PolarHBondContact NE1-OG1 3.12Å; N587-T589 PolarHBondContact O-N 3.19Å; T589-F594 HydrophobicContact CG2-CD1 4.25Å; T589-F594 HydrophobicContact CG2-CD2 3.94Å; T589-F594 HydrophobicContact CG2-CE1 4.26Å; T589-F594 HydrophobicContact CG2-CE2 3.96Å; T589-F594 HydrophobicContact CG2-CG 4.09Å; T589-F594 HydrophobicContact CG2-CZ 4.12Å
590S95.8Very high93.9Very high50 Ų5067.1 Ų67.135%0.3536%0.355SS..  trans-83174.7176.1860000111.4D563 A592 G593 F594D563-S590 WeakPolarHBondContact OD1-CB 3.28Å; D563-S590 PolarHBondContact OD1-N 3.36Å; D563-S590 PolarHBondContact OD1-OG 3.34Å; D563-S590 VanDerWaalsContact OD1-OG 3.07Å; D563-S590 WeakPolarHBondContact OD2-CB 3.47Å; D563-S590 PolarHBondContact OD2-OG 3.33Å; S590-A592 PolarHBondContact O-N 2.82Å; S590-A592 PolarHBondContact OG-N 2.73Å; S590-A592 VanDerWaalsContact OG-N 3.14Å; S590-G593 PolarHBondContact O-N 2.99Å; S590-F594 WeakPolarHBondContact O-CD2 3.43Å; S590-F594 PolarHBondContact O-N 3.47Å; S590-F594 VanDerWaalsContact O-N 3.13Å
591A95.4Very high93.7Very high87 Ų8763 Ų6372%0.71935%0.346SS*.Hα-helixtrans-56.6-31.6173.200000112.6L595A591-L595 WeakPolarHBondContact O-CB 3.48Å; A591-L595 PolarHBondContact O-N 2.97Å
592A93.7Very high93.6Very high57 Ų5768 Ų6847%0.47136%0.363SS..Hα-helixtrans-68-43.417800000111.8S590 L595 D596S590-A592 PolarHBondContact O-N 2.82Å; S590-A592 PolarHBondContact OG-N 2.73Å; S590-A592 VanDerWaalsContact OG-N 3.14Å; A592-L595 WeakPolarHBondContact O-CB 3.28Å; A592-L595 PolarHBondContact O-N 3.16Å; A592-D596 PolarHBondContact O-N 3.39Å
593G93.1Very high92.6Very high0 Ų072.4 Ų72.40%038%0.381CS..Hα-helixtrans-64.5-39.2175.600000112.7D563 S590 L595 D596 V597D563-G593 PolarHBondContact OD1-N 2.97Å; S590-G593 PolarHBondContact O-N 2.99Å; G593-L595 VanDerWaalsContact C-N 3.34Å; G593-L595 PolarHBondContact O-N 3.22Å; G593-D596 PolarHBondContact O-N 3.06Å; G593-V597 PolarHBondContact O-N 2.55Å
594F95.9Very high91Very high112 Ų11277.6 Ų77.649%0.49140%0.399SS..Hα-helixtrans-67.3-32.4174.4-75.1-59.2000113.2T589 S590 D596 V597 A598T589-F594 HydrophobicContact CG2-CD1 4.25Å; T589-F594 HydrophobicContact CG2-CD2 3.94Å; T589-F594 HydrophobicContact CG2-CE1 4.26Å; T589-F594 HydrophobicContact CG2-CE2 3.96Å; T589-F594 HydrophobicContact CG2-CG 4.09Å; T589-F594 HydrophobicContact CG2-CZ 4.12Å; S590-F594 WeakPolarHBondContact O-CD2 3.43Å; S590-F594 PolarHBondContact O-N 3.47Å; S590-F594 VanDerWaalsContact O-N 3.13Å; F594-D596 VanDerWaalsContact C-N 3.32Å; F594-D596 PolarHBondContact O-N 3Å; F594-V597 PolarHBondContact O-N 3.36Å; F594-A598 WeakPolarHBondContact O-CB 3.41Å; F594-A598 PolarHBondContact O-N 2.9Å
595L95.1Very high90.8Very high86 Ų8680.4 Ų80.445%0.4541%0.414SS..Hα-helixtrans-62.8-38.8174.1-177.563.6000111.9A591 A592 G593 V597 A598 R599A591-L595 WeakPolarHBondContact O-CB 3.48Å; A591-L595 PolarHBondContact O-N 2.97Å; A592-L595 WeakPolarHBondContact O-CB 3.28Å; A592-L595 PolarHBondContact O-N 3.16Å; G593-L595 VanDerWaalsContact C-N 3.34Å; G593-L595 PolarHBondContact O-N 3.22Å; L595-V597 VanDerWaalsContact C-N 3.33Å; L595-A598 PolarHBondContact O-N 3.25Å; L595-R599 WeakPolarHBondContact O-CG 3.35Å; L595-R599 PolarHBondContact O-N 2.67Å; L595-R599 VanDerWaalsContact O-N 3.08Å
596D93.6Very high90.7Very high43 Ų4378.8 Ų78.823%0.2341%0.406CS..Hα-helixtrans-63.4-39.4175.1-77.2-21.3000111.8S570 A592 G593 F594 R599 A600S570-D596 WeakPolarHBondContact CB-O 3.48Å; A592-D596 PolarHBondContact O-N 3.39Å; G593-D596 PolarHBondContact O-N 3.06Å; F594-D596 VanDerWaalsContact C-N 3.32Å; F594-D596 PolarHBondContact O-N 3Å; D596-R599 IonicContact OD1-NH1 3.43Å; D596-A600 PolarHBondContact O-N 3.21Å
597V94.1Very high90.6Very high21 Ų2173.8 Ų73.813%0.12739%0.392CS..Hα-helixtrans-68.3-44.2175.5178.50000111.3A566 L569 L573 G593 F594 L595 R599 A600 L601A566-V597 HydrophobicContact CB-CG2 4.18Å; A566-V597 WeakPolarHBondContact O-CG2 3.46Å; L569-V597 HydrophobicContact CD2-CG2 4.47Å; L573-V597 HydrophobicContact CD1-CG1 4.3Å; G593-V597 PolarHBondContact O-N 2.55Å; F594-V597 PolarHBondContact O-N 3.36Å; L595-V597 VanDerWaalsContact C-N 3.33Å; V597-R599 VanDerWaalsContact C-N 3.34Å; V597-R599 PolarHBondContact O-N 2.69Å; V597-A600 WeakPolarHBondContact O-CB 3.07Å; V597-A600 PolarHBondContact O-N 2.95Å; V597-A600 VanDerWaalsContact O-N 3.09Å; V597-L601 HydrophobicContact CG1-CD1 4.15Å; V597-L601 HydrophobicContact CG1-CG 4.46Å; V597-L601 PolarHBondContact O-N 3.4Å
598A94.4Very high90.4Very high42 Ų4277.9 Ų77.935%0.34742%0.415SS..Hα-helixtrans-57.1-46.6178.200000111.7F594 L595 A600 L601 E602F594-A598 WeakPolarHBondContact O-CB 3.41Å; F594-A598 PolarHBondContact O-N 2.9Å; L595-A598 PolarHBondContact O-N 3.25Å; A598-A600 VanDerWaalsContact C-N 3.27Å; A598-A600 PolarHBondContact O-N 3.5Å; A598-L601 PolarHBondContact O-N 2.86Å; A598-L601 VanDerWaalsContact O-N 3.09Å; A598-E602 WeakPolarHBondContact O-CG 3.36Å; A598-E602 PolarHBondContact O-N 3.14Å
599R91.9Very high90.1Very high129 Ų12975.6 Ų75.649%0.48740%0.402SS..Hα-helixtrans-60-33.9175.7-73.7174178.4157.1-2.2113.6L595 D596 V597L595-R599 WeakPolarHBondContact O-CG 3.35Å; L595-R599 PolarHBondContact O-N 2.67Å; L595-R599 VanDerWaalsContact O-N 3.08Å; D596-R599 IonicContact OD1-NH1 3.43Å; V597-R599 VanDerWaalsContact C-N 3.34Å; V597-R599 PolarHBondContact O-N 2.69Å
600A89.9Confident89.8Confident0 Ų079.3 Ų79.30%042%0.42CS..Hα-helixtrans-70.9-37.5175.500000112S570 Q574 D596 V597 A598 Q603S570-A600 VanDerWaalsContact O-CB 3.27Å; S570-A600 WeakPolarHBondContact O-CB 3.45Å; Q574-A600 HydrophobicContact CG-CB 3.79Å; D596-A600 PolarHBondContact O-N 3.21Å; V597-A600 WeakPolarHBondContact O-CB 3.07Å; V597-A600 PolarHBondContact O-N 2.95Å; V597-A600 VanDerWaalsContact O-N 3.09Å; A598-A600 VanDerWaalsContact C-N 3.27Å; A598-A600 PolarHBondContact O-N 3.5Å; A600-Q603 PolarHBondContact O-N 3.45Å
601L90.3Very high89.3Confident96 Ų9681.4 Ų81.450%0.50343%0.425SS..Hα-helixtrans-74-24.5177.6-65.4175.7000113.3L573 V597 A598 Q603 F604L573-L601 HydrophobicContact CD1-CD2 4.31Å; V597-L601 HydrophobicContact CG1-CD1 4.15Å; V597-L601 HydrophobicContact CG1-CG 4.46Å; V597-L601 PolarHBondContact O-N 3.4Å; A598-L601 PolarHBondContact O-N 2.86Å; A598-L601 VanDerWaalsContact O-N 3.09Å; L601-Q603 PolarHBondContact O-N 3.4Å; L601-F604 WeakPolarHBondContact O-CB 3.46Å; L601-F604 PolarHBondContact O-N 3.09Å
602E89.4Confident88.9Confident158 Ų15880.9 Ų80.974%0.73840%0.403SS*.THydrogen-bonded Turntrans-65.4-20.4171.6-75173.5-179.900113.3A598 F604A598-E602 WeakPolarHBondContact O-CG 3.36Å; A598-E602 PolarHBondContact O-N 3.14Å; E602-F604 VanDerWaalsContact C-N 3.29Å
603Q73.6Confident88.5Confident141 Ų14182.9 Ų82.966%0.65940%0.397SS*.THydrogen-bonded Turntrans-88.13.5179.7-63.4-177.42.500113.2A600 L601A600-Q603 PolarHBondContact O-N 3.45Å; L601-Q603 PolarHBondContact O-N 3.4Å
604F60.3Low88Confident167 Ų16790.5 Ų90.573%0.73243%0.433SS*.  trans-89.80179.6-109.1-81.9000114.2L573 N576 L601 E602L573-F604 VanDerWaalsContact O-CE2 3.23Å; L573-F604 WeakPolarHBondContact O-CE2 3.47Å; N576-F604 WeakPolarHBondContact O-CZ 3.47Å; L601-F604 WeakPolarHBondContact O-CB 3.46Å; L601-F604 PolarHBondContact O-N 3.09Å; E602-F604 VanDerWaalsContact C-N 3.29Å

Retrieved 604 of 604 residues in 212.7 ms (Link to these results)

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