A0A5K4ENE1_SCHMA Loading...

C2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4ENE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,271 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
1M52.9Low87.2Confident133 Ų13334.6 Ų34.666%0.65517%0.169SC*.  0110.50-81.3176.980.900105.5E59 F131 D133M1-E59 WeakPolarHBondContact CE-OE2 3.17Å; M1-F131 WeakPolarHBondContact O-CB 3.5Å; M1-F131 VanDerWaalsContact O-CD2 3.25Å; M1-F131 WeakPolarHBondContact O-CD2 3.32Å; M1-D133 PolarHBondContact N-OD2 2.85Å
2P66.9Low88.1Confident22 Ų2231.9 Ų31.914%0.14316%0.156CC..  trans-79.8-39.9-160.625.4-29.3000114L60 D61 D62 V130 F131P2-L60 WeakPolarHBondContact CG-O 3.12Å; P2-D61 VanDerWaalsContact CG-C 3.44Å; P2-D61 VanDerWaalsContact CG-CA 3.47Å; P2-D61 HydrophobicContact CG-CB 4.47Å; P2-D62 HydrophobicContact CB-CB 4.15Å; P2-D62 WeakPolarHBondContact CB-OD1 3.37Å; P2-D62 WeakPolarHBondContact CB-OD2 3.46Å; P2-D62 HydrophobicContact CG-CB 4.32Å; P2-V130 CarbonylContact O-C 3.54Å; P2-V130 WeakPolarHBondContact O-CA 3.31Å; P2-V130 VanDerWaalsContact O-CG1 3.22Å; P2-V130 WeakPolarHBondContact O-CG1 3.44Å; P2-F131 PolarHBondContact O-N 3Å
3G80.3Confident88.7Confident3 Ų336 Ų363%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-158.4154.2176.700000116.1L60G3-L60 PolarHBondContact O-N 2.87Å; G3-L60 VanDerWaalsContact O-N 3.17Å
4T89Confident89.2Confident14 Ų1440.9 Ų40.99%0.08620%0.197CC..EExtended strand (participates in β ladder)trans-122.4131.3167.863.60000110.2F58 E59 D129T4-F58 CarbonylContact C-O 3.57Å; T4-F58 VanDerWaalsContact CA-O 3.26Å; T4-F58 WeakPolarHBondContact CA-O 3.23Å; T4-E59 HydrophobicContact CG2-CG 4.15Å; T4-D129 PolarHBondContact N-O 2.68Å; T4-D129 PolarHBondContact O-N 3.33Å
5V92.2Very high89.6Confident0 Ų038.5 Ų38.50%019%0.186CC..EExtended strand (participates in β ladder)trans-105.3126.1176.4-177.10000108V7 I33 F58 L60 L65 L70 L93 I126 V128V5-V7 HydrophobicContact CG1-CG2 4.18Å; V5-I33 HydrophobicContact CB-CD1 4.02Å; V5-I33 HydrophobicContact CG1-CD1 3.99Å; V5-I33 HydrophobicContact CG2-CD1 4.29Å; V5-F58 HydrophobicContact CB-CB 4.29Å; V5-F58 PolarHBondContact N-O 3.31Å; V5-F58 PolarHBondContact O-N 3Å; V5-L60 HydrophobicContact CG2-CD1 3.71Å; V5-L65 HydrophobicContact CG2-CD1 3.73Å; V5-L70 HydrophobicContact CG1-CD2 4.43Å; V5-L93 HydrophobicContact CG1-CD2 4.32Å; V5-L93 HydrophobicContact CG2-CD1 3.87Å; V5-I126 HydrophobicContact CG1-CG2 4.44Å; V5-V128 HydrophobicContact CG1-CG2 4.45Å; V5-V128 HydrophobicContact CG2-CG1 4.27Å; V5-V128 HydrophobicContact CG2-CG2 4.34Å
6K94.2Very high90Very high57 Ų5737.4 Ų37.425%0.24818%0.182CC..EExtended strand (participates in β ladder)trans-117.1124.7-175.1-61.1177.4-178.1158.80108.5W55 F56 I126 R127 D129K6-W55 HydrophobicContact CB-CD2 4.43Å; K6-W55 HydrophobicContact CB-CE3 3.71Å; K6-W55 HydrophobicContact CB-CZ3 4.23Å; K6-W55 WeakPolarHBondContact O-CZ3 3.2Å; K6-F56 CarbonylContact C-O 3.57Å; K6-F56 VanDerWaalsContact CA-O 3.31Å; K6-F56 WeakPolarHBondContact CA-O 3.38Å; K6-I126 CarbonylContact O-C 3.55Å; K6-I126 WeakPolarHBondContact O-CA 3.25Å; K6-R127 HydrophobicContact CB-CB 4.44Å; K6-R127 PolarHBondContact N-O 3.43Å; K6-R127 PolarHBondContact O-N 2.82Å; K6-D129 IonicContact NZ-OD2 3.55Å; K6-D129 PolarHBondContact NZ-OD2 2.87Å
7V96.4Very high90.2Very high0 Ų039.4 Ų39.40%020%0.197CC..EExtended strand (participates in β ladder)trans-126.7134.8-176-168.30000110.4V5 L31 W55 F56 F58 L70 L72 I126V5-V7 HydrophobicContact CG1-CG2 4.18Å; V7-L31 HydrophobicContact CB-CD2 3.77Å; V7-L31 HydrophobicContact CG1-CD2 3.45Å; V7-L31 VanDerWaalsContact CG1-CD2 3.45Å; V7-W55 CarbonylContact O-C 3.57Å; V7-W55 WeakPolarHBondContact O-CA 3.08Å; V7-F56 PolarHBondContact N-O 3.48Å; V7-F56 PolarHBondContact O-N 3.14Å; V7-F58 HydrophobicContact CG2-CD2 4.23Å; V7-F58 HydrophobicContact CG2-CE2 3.87Å; V7-L70 HydrophobicContact CG2-CD1 4.22Å; V7-L70 HydrophobicContact CG2-CD2 3.53Å; V7-L72 HydrophobicContact CG1-CD2 4.45Å; V7-I126 HydrophobicContact CB-CG1 4.42Å; V7-I126 HydrophobicContact CG1-CG1 3.78Å; V7-I126 HydrophobicContact CG2-CG1 4.21Å
8R96.4Very high90.3Very high88 Ų8839.9 Ų39.933%0.33220%0.2SC..EExtended strand (participates in β ladder)trans-123.5126176-164.7-177.9-174.4-157-3.8110.1N52 S53 W55 A125R8-N52 PolarHBondContact NH2-O 3.5Å; R8-S53 VanDerWaalsContact CG-O 3.23Å; R8-S53 WeakPolarHBondContact CG-O 3.16Å; R8-S53 PolarHBondContact NE-O 2.81Å; R8-S53 PolarHBondContact NH2-O 3.43Å; R8-W55 HydrophobicContact CB-CD2 4.03Å; R8-W55 HydrophobicContact CB-CE3 3.82Å; R8-W55 HydrophobicContact CB-CH2 4.28Å; R8-W55 HydrophobicContact CB-CZ2 4.45Å; R8-W55 HydrophobicContact CB-CZ3 3.96Å; R8-A125 HydrophobicContact CB-CB 4.39Å; R8-A125 PolarHBondContact N-O 2.87Å; R8-A125 PolarHBondContact O-N 3.33Å
9V97.1Very high90.2Very high0 Ų040.4 Ų40.40%020%0.203CC..EExtended strand (participates in β ladder)trans-97.8114.2177.1-173.10000108.9V29 L31 T40 W51 N52 S53 F56 L72 I122 L124V9-V29 HydrophobicContact CG1-CB 4.46Å; V9-V29 HydrophobicContact CG1-CG2 4.09Å; V9-L31 HydrophobicContact CG2-CD1 4.12Å; V9-L31 HydrophobicContact CG2-CD2 3.84Å; V9-L31 HydrophobicContact CG2-CG 4.33Å; V9-T40 HydrophobicContact CB-CG2 3.93Å; V9-T40 HydrophobicContact CG1-CG2 4.12Å; V9-T40 HydrophobicContact CG2-CG2 3.89Å; V9-W51 HydrophobicContact CG1-CD2 4.1Å; V9-W51 HydrophobicContact CG1-CE3 3.53Å; V9-W51 HydrophobicContact CG1-CZ3 3.99Å; V9-N52 PolarHBondContact O-N 3.15Å; V9-S53 PolarHBondContact N-OG 3.28Å; V9-S53 PolarHBondContact O-N 2.91Å; V9-S53 PolarHBondContact O-OG 3.41Å; V9-F56 HydrophobicContact CG2-CE2 4.2Å; V9-L72 HydrophobicContact CG2-CD2 4.26Å; V9-I122 HydrophobicContact CG1-CD1 4.2Å; V9-L124 HydrophobicContact CB-CD2 4.25Å; V9-L124 HydrophobicContact CG1-CD2 4.11Å; V9-L124 HydrophobicContact CG2-CD2 4.03Å
10I96.8Very high90.1Very high45 Ų4549.7 Ų49.723%0.23124%0.235CC..EExtended strand (participates in β ladder)trans-92.1-62.4-172.2-55.8175.3000109.6W51 N52 C123I10-W51 PolarHBondContact O-N 2.88Å; I10-N52 PolarHBondContact O-N 3Å; I10-C123 HydrophobicContact CB-CB 4.2Å; I10-C123 WeakPolarHBondContact CB-O 3.47Å; I10-C123 PolarHBondContact N-O 3.18Å
11S97.4Very high89.9Confident19 Ų1951.6 Ų51.613%0.13326%0.259CS..EExtended strand (participates in β ladder)trans-162.3170.2-177.152.60000110.7P49 W108 C123S11-P49 CarbonylContact C-O 3.16Å; S11-P49 WeakPolarHBondContact CA-O 3.29Å; S11-P49 WeakPolarHBondContact CB-O 3.25Å; S11-W108 WeakPolarHBondContact OG-CH2 3.24Å; S11-C123 PolarHBondContact O-N 3.08Å
12A97.2Very high91.6Very high2 Ų247 Ų472%0.01724%0.238CC..EExtended strand (participates in β ladder)trans-127.7165.5161.700000110L15 N48 P49 W51 I111 E121 I122A12-L15 HydrophobicContact CB-CD1 4.34Å; A12-L15 HydrophobicContact CB-CD2 4.07Å; A12-L15 HydrophobicContact CB-CG 4.3Å; A12-N48 CarbonylContact O-C 3.31Å; A12-N48 VanDerWaalsContact O-C 3.31Å; A12-N48 WeakPolarHBondContact O-CA 3.18Å; A12-P49 HydrophobicContact CB-CG 3.87Å; A12-P49 PolarHBondContact N-O 3.25Å; A12-W51 HydrophobicContact CB-CH2 3.97Å; A12-W51 HydrophobicContact CB-CZ3 3.79Å; A12-I111 HydrophobicContact CB-CD1 4.49Å; A12-E121 CarbonylContact C-O 3.54Å; A12-E121 WeakPolarHBondContact CA-O 3.41Å; A12-E121 WeakPolarHBondContact CB-O 3.41Å; A12-I122 HydrophobicContact CB-CB 4.37Å; A12-I122 HydrophobicContact CB-CG1 4.35Å
13R96.4Very high92.8Very high85 Ų8553.1 Ų53.132%0.32126%0.263SS..EExtended strand (participates in β ladder)trans-144.4156.1177.372.9-175.4-177.1-163.1-3.5112.1L15 L47 N48 W108 G120 E121R13-L15 PolarHBondContact O-N 2.94Å; R13-L47 CarbonylContact C-O 3.57Å; R13-N48 WeakPolarHBondContact CA-OD1 3.41Å; R13-N48 VanDerWaalsContact CB-OD1 3.31Å; R13-N48 WeakPolarHBondContact CB-OD1 3.31Å; R13-W108 HydrophobicContact CB-CH2 4.09Å; R13-W108 HydrophobicContact CB-CZ3 3.87Å; R13-W108 HydrophobicContact CG-CE3 3.93Å; R13-W108 HydrophobicContact CG-CH2 3.97Å; R13-W108 HydrophobicContact CG-CZ3 3.47Å; R13-W108 VanDerWaalsContact CG-CZ3 3.47Å; R13-G120 WeakPolarHBondContact O-CA 3.29Å; R13-E121 HydrophobicContact CG-CB 4.21Å; R13-E121 IonicContact CZ-OE2 3.82Å; R13-E121 PolarHBondContact N-O 3.33Å; R13-E121 IonicContact NE-OE2 3.8Å; R13-E121 PolarHBondContact NE-OE2 3.03Å; R13-E121 VanDerWaalsContact NH2-CD 3.26Å; R13-E121 IonicContact NH2-OE1 3.48Å; R13-E121 PolarHBondContact NH2-OE1 3.42Å; R13-E121 IonicContact NH2-OE2 2.71Å; R13-E121 PolarHBondContact NH2-OE2 3.27Å; R13-E121 PolarHBondContact O-N 3.35Å
14N95.3Very high93.3Very high105 Ų10555.7 Ų55.756%0.56128%0.276SS*.SBendtrans54.235.5177.7-55.1-31.7000113.5L47 N48 G120N14-L47 PolarHBondContact N-O 2.76Å; N14-N48 PolarHBondContact N-OD1 3.31Å; N14-G120 VanDerWaalsContact O-CA 3.23Å; N14-G120 WeakPolarHBondContact O-CA 3.46Å
15L96.1Very high93.5Very high5 Ų555 Ų553%0.02627%0.272CS..PPolyproline II helixtrans-62.9149173.1-61.4-176.2000110.4A12 R13 A27 L47 P49 V74 I111A12-L15 HydrophobicContact CB-CD1 4.34Å; A12-L15 HydrophobicContact CB-CD2 4.07Å; A12-L15 HydrophobicContact CB-CG 4.3Å; R13-L15 PolarHBondContact O-N 2.94Å; L15-A27 HydrophobicContact CD1-CB 3.78Å; L15-L47 PolarHBondContact N-O 3.37Å; L15-P49 HydrophobicContact CD1-CG 3.75Å; L15-V74 HydrophobicContact CD2-CG1 4.46Å; L15-I111 HydrophobicContact CD2-CD1 3.39Å
16P95Very high93.6Very high21 Ų2156 Ų5614%0.13628%0.277CS..PPolyproline II helixtrans-66.2150.7170.930.8-36.6000110.7M18 T25 I86 R119P16-M18 HydrophobicContact CG-SD 4.08Å; P16-M18 PolarHBondContact O-N 2.71Å; P16-T25 PolarHBondContact O-OG1 2.8Å; P16-I86 HydrophobicContact CG-CG2 3.72Å; P16-R119 WeakPolarHBondContact CD-O 3.24Å; P16-R119 HydrophobicContact CG-CB 4.25Å
17V94.1Very high93.7Very high71 Ų7153.3 Ų53.343%0.4327%0.265SS..PPolyproline II helixtrans-65.9119.4165.1175.20000108.5F23 L47V17-F23 VanDerWaalsContact CG1-C 3.5Å; V17-F23 VanDerWaalsContact CG2-O 3.32Å; V17-F23 WeakPolarHBondContact CG2-O 3.42Å; V17-L47 HydrophobicContact CG2-CD1 3.98Å; V17-L47 HydrophobicContact CG2-CD2 4.14Å
18M92Very high93.7Very high49 Ų4953.6 Ų53.624%0.24127%0.267CS..  trans-102.5-47.1174.7-61.1-61.8-66.300110.1P16 R20 L24 T25 D76 D84 I86P16-M18 HydrophobicContact CG-SD 4.08Å; P16-M18 PolarHBondContact O-N 2.71Å; M18-R20 PolarHBondContact O-N 3.21Å; M18-L24 PolarHBondContact N-O 3.11Å; M18-T25 HydrophobicContact CB-CG2 4.31Å; M18-T25 HydrophobicContact CG-CG2 3.93Å; M18-D76 HydrophobicContact CB-CB 4.16Å; M18-D76 WeakPolarHBondContact CB-OD2 3.35Å; M18-D76 HydrophobicContact CG-CB 4.13Å; M18-D84 HydrophobicContact CE-CB 3.86Å; M18-I86 HydrophobicContact CE-CG1 4.37Å; M18-I86 HydrophobicContact CG-CD1 4.09Å; M18-I86 HydrophobicContact CG-CG1 3.98Å; M18-I86 HydrophobicContact SD-CG1 4.15Å
19D88.6Confident93.8Very high49 Ų4949.4 Ų49.426%0.26225%0.251SS..BIsolated β-bridgetrans-86.599-172.1178.314.6000111.4A21 T22 F23 L24D19-A21 PolarHBondContact O-N 3.23Å; D19-A21 VanDerWaalsContact O-N 3.14Å; D19-A21 PolarHBondContact OD1-N 3.2Å; D19-T22 WeakPolarHBondContact CB-OG1 3.44Å; D19-T22 PolarHBondContact O-N 3.39Å; D19-T22 WeakPolarHBondContact OD2-CB 3.46Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.36Å; D19-T22 PolarHBondContact OD2-OG1 2.85Å; D19-F23 WeakPolarHBondContact O-CA 3.49Å; D19-F23 PolarHBondContact O-N 3.46Å; D19-L24 WeakPolarHBondContact CB-O 3.36Å; D19-L24 PolarHBondContact N-O 3.38Å
20R87.1Confident93.8Very high226 Ų22650.9 Ų50.985%0.85326%0.258SS*.THydrogen-bonded Turntrans-61.1-20.9-177.9-63.4-175.7-175.3178.42.5114.1M18M18-R20 PolarHBondContact O-N 3.21Å
21A87.7Confident93.8Very high89 Ų8948.7 Ų48.774%0.73625%0.247SC*.THydrogen-bonded Turntrans-83.2-29.7-179.200000112.5D19D19-A21 PolarHBondContact O-N 3.23Å; D19-A21 VanDerWaalsContact O-N 3.14Å; D19-A21 PolarHBondContact OD1-N 3.2Å
22T88.3Confident93.6Very high36 Ų3648.4 Ų48.422%0.22124%0.244CC..THydrogen-bonded Turntrans-104.5-13.3179.162.30000113.7D19 L24 R45D19-T22 WeakPolarHBondContact CB-OG1 3.44Å; D19-T22 PolarHBondContact O-N 3.39Å; D19-T22 WeakPolarHBondContact OD2-CB 3.46Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.36Å; D19-T22 PolarHBondContact OD2-OG1 2.85Å; T22-L24 WeakPolarHBondContact O-CG 3.41Å; T22-L24 PolarHBondContact O-N 2.77Å; T22-L24 PolarHBondContact OG1-N 3.4Å; T22-R45 HydrophobicContact CG2-CG 4.28Å
23F90.4Very high93.4Very high152 Ų15248.3 Ų48.367%0.66724%0.244SC*.THydrogen-bonded Turntrans56.628.5-166.6-61-83.5000113.2V17 D19V17-F23 VanDerWaalsContact CG1-C 3.5Å; V17-F23 VanDerWaalsContact CG2-O 3.32Å; V17-F23 WeakPolarHBondContact CG2-O 3.42Å; D19-F23 WeakPolarHBondContact O-CA 3.49Å; D19-F23 PolarHBondContact O-N 3.46Å
24L92.7Very high93Very high57 Ų5745.4 Ų45.430%0.29824%0.24SC..BIsolated β-bridgetrans-136.7-154.7-175.9-63.9167000109.5M18 D19 T22 R45 L47M18-L24 PolarHBondContact N-O 3.11Å; D19-L24 WeakPolarHBondContact CB-O 3.36Å; D19-L24 PolarHBondContact N-O 3.38Å; T22-L24 WeakPolarHBondContact O-CG 3.41Å; T22-L24 PolarHBondContact O-N 2.77Å; T22-L24 PolarHBondContact OG1-N 3.4Å; L24-R45 HydrophobicContact CB-CB 4.36Å; L24-R45 HydrophobicContact CD1-CB 3.81Å; L24-L47 HydrophobicContact CD2-CD2 4.47Å; L24-L47 HydrophobicContact CD2-CG 4Å
25T92.4Very high92.6Very high0 Ų046.1 Ų46.10%025%0.253CS..  trans-153.8137.7-172.3-52.60000108.3P16 M18 A27 R45 S46 L47 D76 I86P16-T25 PolarHBondContact O-OG1 2.8Å; M18-T25 HydrophobicContact CB-CG2 4.31Å; M18-T25 HydrophobicContact CG-CG2 3.93Å; T25-A27 HydrophobicContact CG2-CB 4.15Å; T25-R45 WeakPolarHBondContact O-CA 3.5Å; T25-R45 PolarHBondContact O-N 3.49Å; T25-R45 VanDerWaalsContact O-N 3.07Å; T25-S46 PolarHBondContact O-N 2.85Å; T25-L47 VanDerWaalsContact OG1-CD2 3.24Å; T25-L47 WeakPolarHBondContact OG1-CD2 3.24Å; T25-D76 HydrophobicContact CG2-CB 4.36Å; T25-D76 WeakPolarHBondContact CG2-OD1 3.37Å; T25-I86 HydrophobicContact CG2-CD1 3.48Å; T25-I86 VanDerWaalsContact CG2-CD1 3.48Å
26D94.5Very high92.4Very high20 Ų2048.3 Ų48.311%0.10726%0.264CS..  trans-101.466.4177.1-92.721.5000109.5V42 V43 R44 R45 D76 H77D26-V42 HydrophobicContact CB-CG1 4.34Å; D26-V43 CarbonylContact C-O 3.56Å; D26-R44 HydrophobicContact CB-CG 4.44Å; D26-R44 WeakPolarHBondContact OD1-CA 3.48Å; D26-R44 VanDerWaalsContact OD1-CB 3.28Å; D26-R44 WeakPolarHBondContact OD1-CB 3.39Å; D26-R44 WeakPolarHBondContact OD2-CD 3.35Å; D26-R44 WeakPolarHBondContact OD2-CG 3.44Å; D26-R44 IonicContact OD2-CZ 2.72Å; D26-R44 IonicContact OD2-NE 3.34Å; D26-R44 PolarHBondContact OD2-NE 2.94Å; D26-R45 PolarHBondContact OD1-N 3.32Å; D26-D76 PolarHBondContact N-OD1 3.14Å; D26-H77 HydrophobicContact CB-CB 4.21Å; D26-H77 VanDerWaalsContact O-CB 3.29Å; D26-H77 WeakPolarHBondContact O-CB 3.37Å; D26-H77 PolarHBondContact O-N 3.42Å
27A96.2Very high92.4Very high0 Ų050.8 Ų50.80%028%0.279CS..EExtended strand (participates in β ladder)trans-75.5140-163.200000115.3L15 T25 V43 P49 W51 M75L15-A27 HydrophobicContact CD1-CB 3.78Å; T25-A27 HydrophobicContact CG2-CB 4.15Å; A27-V43 PolarHBondContact N-O 3.39Å; A27-V43 PolarHBondContact O-N 3.38Å; A27-P49 HydrophobicContact CB-CB 4.29Å; A27-P49 HydrophobicContact CB-CG 3.95Å; A27-W51 HydrophobicContact CB-CH2 4.48Å; A27-W51 HydrophobicContact CB-CZ2 4.01Å; A27-M75 WeakPolarHBondContact CA-O 3.29Å
28F96.9Very high92.5Very high7 Ų751.7 Ų51.73%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-139.7169.6163.972.4-80000111.5E30 K39 V42 M75 H77 H83F28-E30 HydrophobicContact CD2-CG 4.26Å; F28-E30 HydrophobicContact CE2-CG 3.7Å; F28-K39 HydrophobicContact CE2-CD 4.18Å; F28-V42 HydrophobicContact CB-CG2 4.05Å; F28-V42 HydrophobicContact CD1-CG2 4.28Å; F28-V42 HydrophobicContact CG-CG2 4.31Å; F28-M75 HydrophobicContact CD1-CB 3.77Å; F28-M75 HydrophobicContact CD2-CB 4.14Å; F28-M75 HydrophobicContact CE1-CB 3.34Å; F28-M75 HydrophobicContact CE1-CG 4.33Å; F28-M75 HydrophobicContact CE2-CB 3.74Å; F28-M75 HydrophobicContact CE2-CG 3.92Å; F28-M75 HydrophobicContact CG-CB 4.16Å; F28-M75 HydrophobicContact CZ-CB 3.33Å; F28-M75 HydrophobicContact CZ-CG 3.82Å; F28-M75 PolarHBondContact N-O 2.81Å; F28-M75 PolarHBondContact O-N 3.5Å; F28-H77 HydrophobicContact CD1-CB 3.85Å; F28-H77 HydrophobicContact CE1-CB 3.98Å; F28-H83 HydrophobicContact CE1-CB 4.06Å; F28-H83 AromaticContact CE1-CD2 3.95Å; F28-H83 AromaticContact CE1-CG 3.89Å; F28-H83 HydrophobicContact CZ-CB 4.05Å; F28-H83 AromaticContact CZ-CD2 3.54Å; F28-H83 AromaticContact CZ-CG 3.87Å
29V97.5Very high92.7Very high0 Ų054.6 Ų54.60%029%0.287CS..EExtended strand (participates in β ladder)trans-127128.9-178.1-172.50000110.4V9 K39 T40 W51 L72 K73 V74 I122V9-V29 HydrophobicContact CG1-CB 4.46Å; V9-V29 HydrophobicContact CG1-CG2 4.09Å; V29-K39 CarbonylContact O-C 3.54Å; V29-K39 WeakPolarHBondContact O-CA 3.42Å; V29-T40 HydrophobicContact CB-CG2 3.93Å; V29-T40 PolarHBondContact N-OG1 2.98Å; V29-T40 PolarHBondContact O-N 3.49Å; V29-W51 HydrophobicContact CG2-CE3 4.45Å; V29-W51 HydrophobicContact CG2-CH2 3.51Å; V29-W51 HydrophobicContact CG2-CZ2 3.72Å; V29-W51 HydrophobicContact CG2-CZ3 3.91Å; V29-L72 HydrophobicContact CG1-CB 4.16Å; V29-L72 HydrophobicContact CG1-CD2 3.96Å; V29-L72 HydrophobicContact CG1-CG 4.46Å; V29-K73 CarbonylContact C-O 3.48Å; V29-K73 WeakPolarHBondContact CA-O 3.4Å; V29-V74 HydrophobicContact CG2-CG2 4.43Å; V29-I122 HydrophobicContact CG1-CD1 4.18Å; V29-I122 HydrophobicContact CG2-CD1 3.87Å
30E96.7Very high93.2Very high30 Ų3053 Ų5314%0.1428%0.279CS..EExtended strand (participates in β ladder)trans-96.2135.7167.1-51.1-168.9147.400109.3F28 Y38 K39 L72 K73 M75F28-E30 HydrophobicContact CD2-CG 4.26Å; F28-E30 HydrophobicContact CE2-CG 3.7Å; E30-Y38 CarbonylContact C-O 3.58Å; E30-Y38 WeakPolarHBondContact CA-O 3.37Å; E30-K39 HydrophobicContact CG-CD 4.16Å; E30-K39 HydrophobicContact CG-CG 4.17Å; E30-K39 WeakPolarHBondContact OE1-CE 3.48Å; E30-K39 IonicContact OE1-NZ 3.1Å; E30-K39 PolarHBondContact OE1-NZ 2.88Å; E30-L72 CarbonylContact O-C 3.57Å; E30-L72 VanDerWaalsContact O-CA 3.3Å; E30-L72 WeakPolarHBondContact O-CA 3.44Å; E30-K73 HydrophobicContact CB-CB 4.28Å; E30-K73 PolarHBondContact N-O 2.95Å; E30-K73 PolarHBondContact O-N 2.97Å; E30-M75 HydrophobicContact CG-CG 4.03Å
31L96.9Very high93.6Very high0 Ų050.5 Ų50.50%028%0.277CS..EExtended strand (participates in β ladder)trans-117.8120.8178.7-55.490.8000108.8V7 V9 T37 Y38 T40 F56 F58 L72V7-L31 HydrophobicContact CB-CD2 3.77Å; V7-L31 HydrophobicContact CG1-CD2 3.45Å; V7-L31 VanDerWaalsContact CG1-CD2 3.45Å; V9-L31 HydrophobicContact CG2-CD1 4.12Å; V9-L31 HydrophobicContact CG2-CD2 3.84Å; V9-L31 HydrophobicContact CG2-CG 4.33Å; L31-T37 CarbonylContact O-C 3.59Å; L31-T37 VanDerWaalsContact O-CA 3.27Å; L31-T37 WeakPolarHBondContact O-CA 3.41Å; L31-Y38 PolarHBondContact N-O 3.48Å; L31-Y38 PolarHBondContact O-N 2.9Å; L31-T40 HydrophobicContact CD1-CG2 4.36Å; L31-F56 HydrophobicContact CD1-CD2 3.89Å; L31-F56 HydrophobicContact CD1-CE2 3.82Å; L31-F56 HydrophobicContact CD1-CG 4.4Å; L31-F56 HydrophobicContact CD1-CZ 4.28Å; L31-F56 HydrophobicContact CD2-CD2 3.82Å; L31-F56 HydrophobicContact CD2-CE2 4.42Å; L31-F56 HydrophobicContact CD2-CG 4.41Å; L31-F58 HydrophobicContact CB-CE2 4.4Å; L31-F58 HydrophobicContact CB-CZ 3.84Å; L31-L72 HydrophobicContact CB-CG 4.46Å; L31-L72 HydrophobicContact CD2-CD2 3.78Å; L31-L72 HydrophobicContact CD2-CG 4.21Å; L31-L72 HydrophobicContact CG-CD2 3.89Å; L31-L72 HydrophobicContact CG-CG 4.03Å
32C94.6Very high94Very high12 Ų1248.3 Ų48.38%0.08125%0.254CS..EExtended strand (participates in β ladder)trans-126.4135.9-173.7-56.70000111.7I36 T37 L71C32-I36 WeakPolarHBondContact CA-O 3.35Å; C32-T37 PolarHBondContact SG-OG1 3.07Å; C32-L71 HydrophobicContact CB-CB 4.44Å; C32-L71 PolarHBondContact N-O 3.09Å; C32-L71 PolarHBondContact O-N 2.9Å
33I93Very high94.3Very high1 Ų148.4 Ų48.41%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-136.2123.1161.4-44.6-178.4000107.6V5 S35 I36 F58 L60 E68 L70 L93V5-I33 HydrophobicContact CB-CD1 4.02Å; V5-I33 HydrophobicContact CG1-CD1 3.99Å; V5-I33 HydrophobicContact CG2-CD1 4.29Å; I33-S35 PolarHBondContact O-N 3.38Å; I33-S35 VanDerWaalsContact O-N 3.11Å; I33-I36 PolarHBondContact N-O 3.43Å; I33-I36 PolarHBondContact O-N 2.88Å; I33-F58 HydrophobicContact CB-CD1 4.04Å; I33-F58 HydrophobicContact CB-CE1 4.25Å; I33-F58 HydrophobicContact CD1-CB 3.87Å; I33-F58 HydrophobicContact CD1-CD1 3.83Å; I33-F58 HydrophobicContact CD1-CD2 3.7Å; I33-F58 HydrophobicContact CD1-CE1 4.25Å; I33-F58 HydrophobicContact CD1-CE2 4.13Å; I33-F58 HydrophobicContact CD1-CG 3.54Å; I33-F58 HydrophobicContact CD1-CZ 4.38Å; I33-F58 HydrophobicContact CG1-CD1 3.72Å; I33-F58 HydrophobicContact CG1-CD2 4.24Å; I33-F58 HydrophobicContact CG1-CE1 3.76Å; I33-F58 HydrophobicContact CG1-CE2 4.28Å; I33-F58 HydrophobicContact CG1-CG 3.97Å; I33-F58 HydrophobicContact CG1-CZ 4.03Å; I33-L60 HydrophobicContact CB-CD2 4.41Å; I33-L60 HydrophobicContact CD1-CD1 4.12Å; I33-L60 HydrophobicContact CG2-CD1 3.96Å; I33-L60 HydrophobicContact CG2-CD2 4.08Å; I33-E68 HydrophobicContact CG2-CB 4Å; I33-L70 HydrophobicContact CD1-CB 4.09Å; I33-L70 HydrophobicContact CD1-CD1 4.05Å; I33-L70 HydrophobicContact CG1-CB 4.01Å; I33-L70 HydrophobicContact CG1-CD1 3.7Å; I33-L70 HydrophobicContact CG1-CG 4.43Å; I33-L93 HydrophobicContact CD1-CD1 4.48Å
34G86.8Confident94.5Very high23 Ų2347.7 Ų47.724%0.23725%0.248CC..THydrogen-bonded Turntrans57.3-117.3-175.900000112.2E68 R194G34-E68 WeakPolarHBondContact CA-OE2 3.31Å; G34-E68 PolarHBondContact N-OE2 2.87Å; G34-R194 PolarHBondContact O-NH2 3.36Å
35S86.5Confident94.5Very high120 Ų12052.9 Ų52.984%0.83926%0.263SS*.THydrogen-bonded Turntrans-96.9-5.9176.153.50000114.5I33I33-S35 PolarHBondContact O-N 3.38Å; I33-S35 VanDerWaalsContact O-N 3.11Å
36I92.9Very high94.6Very high51 Ų5154.3 Ų54.326%0.26227%0.273SS..EExtended strand (participates in β ladder)trans-90.3128.8-176.9-53.7173.9000109C32 I33 Y38 F58 E59 L60C32-I36 WeakPolarHBondContact CA-O 3.35Å; I33-I36 PolarHBondContact N-O 3.43Å; I33-I36 PolarHBondContact O-N 2.88Å; I36-Y38 HydrophobicContact CG2-CD2 4.48Å; I36-Y38 HydrophobicContact CG2-CE2 3.86Å; I36-F58 HydrophobicContact CB-CD1 3.86Å; I36-F58 HydrophobicContact CB-CE1 4.2Å; I36-F58 HydrophobicContact CG2-CD1 3.54Å; I36-F58 HydrophobicContact CG2-CE1 3.86Å; I36-E59 WeakPolarHBondContact CD1-O 3.1Å; I36-L60 HydrophobicContact CD1-CD2 4.22Å
37T94.8Very high94.6Very high74 Ų7455.4 Ų55.445%0.45428%0.279SS..EExtended strand (participates in β ladder)trans-132.5132.3178.6-58.10000111.7L31 C32L31-T37 CarbonylContact O-C 3.59Å; L31-T37 VanDerWaalsContact O-CA 3.27Å; L31-T37 WeakPolarHBondContact O-CA 3.41Å; C32-T37 PolarHBondContact SG-OG1 3.07Å
38Y96.9Very high94.6Very high90 Ų9059.5 Ų59.535%0.35330%0.301SS..EExtended strand (participates in β ladder)trans-116.3164166.4-64.6-70.5000111E30 L31 I36 F56 C57 F58E30-Y38 CarbonylContact C-O 3.58Å; E30-Y38 WeakPolarHBondContact CA-O 3.37Å; L31-Y38 PolarHBondContact N-O 3.48Å; L31-Y38 PolarHBondContact O-N 2.9Å; I36-Y38 HydrophobicContact CG2-CD2 4.48Å; I36-Y38 HydrophobicContact CG2-CE2 3.86Å; Y38-F56 HydrophobicContact CD1-CD1 4.21Å; Y38-F56 HydrophobicContact CD2-CB 4.05Å; Y38-F56 HydrophobicContact CD2-CD1 4.39Å; Y38-F56 HydrophobicContact CG-CB 4.3Å; Y38-F56 AromaticContact CG-CD1 3.8Å; Y38-F56 HydrophobicContact CG-CD1 3.8Å; Y38-F56 HydrophobicContact CG-CG 4.39Å; Y38-C57 PolarHBondContact OH-O 3.06Å; Y38-F58 HydrophobicContact CD2-CD1 4.18Å; Y38-F58 HydrophobicContact CD2-CD2 4.5Å; Y38-F58 AromaticContact CD2-CE1 3.69Å; Y38-F58 HydrophobicContact CD2-CE1 3.69Å; Y38-F58 HydrophobicContact CD2-CE2 4.05Å; Y38-F58 AromaticContact CD2-CZ 3.63Å; Y38-F58 HydrophobicContact CD2-CZ 3.63Å; Y38-F58 AromaticContact CE2-CD1 3.96Å; Y38-F58 HydrophobicContact CE2-CD1 3.96Å; Y38-F58 HydrophobicContact CE2-CD2 4.46Å; Y38-F58 AromaticContact CE2-CE1 3.95Å; Y38-F58 HydrophobicContact CE2-CE1 3.95Å; Y38-F58 HydrophobicContact CE2-CE2 4.45Å; Y38-F58 HydrophobicContact CE2-CG 4.22Å; Y38-F58 HydrophobicContact CE2-CZ 4.21Å
39K96.5Very high94.6Very high110 Ų11059.2 Ų59.248%0.47830%0.3SS..EExtended strand (participates in β ladder)trans-135.3148.9175-52-164.4-172.8-157.90111.1F28 V29 E30 F56F28-K39 HydrophobicContact CE2-CD 4.18Å; V29-K39 CarbonylContact O-C 3.54Å; V29-K39 WeakPolarHBondContact O-CA 3.42Å; E30-K39 HydrophobicContact CG-CD 4.16Å; E30-K39 HydrophobicContact CG-CG 4.17Å; E30-K39 WeakPolarHBondContact OE1-CE 3.48Å; E30-K39 IonicContact OE1-NZ 3.1Å; E30-K39 PolarHBondContact OE1-NZ 2.88Å; K39-F56 WeakPolarHBondContact O-CE1 3.47Å
40T97.3Very high94.5Very high16 Ų1662.5 Ų62.510%0.09832%0.322CS..  trans-80.2170.9167.466.30000111.7V9 V29 L31 W51 F56V9-T40 HydrophobicContact CB-CG2 3.93Å; V9-T40 HydrophobicContact CG1-CG2 4.12Å; V9-T40 HydrophobicContact CG2-CG2 3.89Å; V29-T40 HydrophobicContact CB-CG2 3.93Å; V29-T40 PolarHBondContact N-OG1 2.98Å; V29-T40 PolarHBondContact O-N 3.49Å; L31-T40 HydrophobicContact CD1-CG2 4.36Å; T40-W51 HydrophobicContact CG2-CG 4.43Å; T40-W51 PolarHBondContact OG1-NE1 3.45Å; T40-F56 HydrophobicContact CG2-CE2 4.09Å; T40-F56 HydrophobicContact CG2-CZ 4.14Å
41E96Very high94.5Very high172 Ų17262.5 Ų62.580%0.80432%0.321SS*.  trans-62.4161.8160.1-60.6-174.6173.700111.7W51E41-W51 VanDerWaalsContact O-CD1 3.22Å; E41-W51 PolarHBondContact O-NE1 3.17Å
42V96.2Very high94.3Very high44 Ų4466.3 Ų66.327%0.26734%0.342SS..  trans-93113.8178.31800000109.5D26 F28 R44 H77D26-V42 HydrophobicContact CB-CG1 4.34Å; F28-V42 HydrophobicContact CB-CG2 4.05Å; F28-V42 HydrophobicContact CD1-CG2 4.28Å; F28-V42 HydrophobicContact CG-CG2 4.31Å; V42-R44 HydrophobicContact CG1-CG 4.13Å; V42-H77 HydrophobicContact CB-CB 4.44Å; V42-H77 HydrophobicContact CG1-CB 3.49Å; V42-H77 VanDerWaalsContact CG1-CB 3.49Å; V42-H77 HydrophobicContact CG2-CB 4.01Å
43V95.3Very high94.3Very high38 Ų3866.6 Ų66.623%0.2334%0.343CS..BIsolated β-bridgetrans-93.7104.7175.81750000108.7D26 A27 P49 W51D26-V43 CarbonylContact C-O 3.56Å; A27-V43 PolarHBondContact N-O 3.39Å; A27-V43 PolarHBondContact O-N 3.38Å; V43-P49 HydrophobicContact CB-CB 3.7Å; V43-P49 HydrophobicContact CG1-CB 3.6Å; V43-P49 HydrophobicContact CG2-CB 4.36Å; V43-W51 VanDerWaalsContact CG2-CD1 3.46Å; V43-W51 HydrophobicContact CG2-CG 4.12Å
44R93.2Very high94.4Very high137 Ų13774.8 Ų74.852%0.51738%0.382SS..  trans-75.2147.1-173.7-63.1-157153.884.47.3113.6D26 V42 S46 H77D26-R44 HydrophobicContact CB-CG 4.44Å; D26-R44 WeakPolarHBondContact OD1-CA 3.48Å; D26-R44 VanDerWaalsContact OD1-CB 3.28Å; D26-R44 WeakPolarHBondContact OD1-CB 3.39Å; D26-R44 WeakPolarHBondContact OD2-CD 3.35Å; D26-R44 WeakPolarHBondContact OD2-CG 3.44Å; D26-R44 IonicContact OD2-CZ 2.72Å; D26-R44 IonicContact OD2-NE 3.34Å; D26-R44 PolarHBondContact OD2-NE 2.94Å; V42-R44 HydrophobicContact CG1-CG 4.13Å; R44-S46 PolarHBondContact O-N 2.84Å; R44-H77 PolarHBondContact NH2-ND1 3.21Å
45R92.7Very high94.7Very high166 Ų16679.4 Ų79.463%0.62639%0.392SS*.SBendtrans50.352169.4-61.3-179.9-176.3178-0.8113.5T22 L24 T25 D26T22-R45 HydrophobicContact CG2-CG 4.28Å; L24-R45 HydrophobicContact CB-CB 4.36Å; L24-R45 HydrophobicContact CD1-CB 3.81Å; T25-R45 WeakPolarHBondContact O-CA 3.5Å; T25-R45 PolarHBondContact O-N 3.49Å; T25-R45 VanDerWaalsContact O-N 3.07Å; D26-R45 PolarHBondContact OD1-N 3.32Å
46S94.9Very high95.2Very high30 Ų3075.5 Ų75.521%0.2136%0.36CS..  trans-147.1127.6175.5-171.30000113.3T25 R44 N48T25-S46 PolarHBondContact O-N 2.85Å; R44-S46 PolarHBondContact O-N 2.84Å; S46-N48 PolarHBondContact O-N 2.84Å; S46-N48 PolarHBondContact OG-N 3.34Å; S46-N48 PolarHBondContact OG-O 2.84Å; S46-N48 VanDerWaalsContact OG-O 3.07Å
47L94.8Very high95.2Very high42 Ų4275.7 Ų75.722%0.2237%0.365CS..SBendtrans-77.6-6166.5-52.4-175.6000112.6R13 N14 L15 V17 L24 T25R13-L47 CarbonylContact C-O 3.57Å; N14-L47 PolarHBondContact N-O 2.76Å; L15-L47 PolarHBondContact N-O 3.37Å; V17-L47 HydrophobicContact CG2-CD1 3.98Å; V17-L47 HydrophobicContact CG2-CD2 4.14Å; L24-L47 HydrophobicContact CD2-CD2 4.47Å; L24-L47 HydrophobicContact CD2-CG 4Å; T25-L47 VanDerWaalsContact OG1-CD2 3.24Å; T25-L47 WeakPolarHBondContact OG1-CD2 3.24Å
48N96.6Very high95.1Very high87 Ų8772.2 Ų72.247%0.46534%0.344SS..SBendtrans-13363.6178.6-54.9-74.5000109.9A12 R13 N14 S46A12-N48 CarbonylContact O-C 3.31Å; A12-N48 VanDerWaalsContact O-C 3.31Å; A12-N48 WeakPolarHBondContact O-CA 3.18Å; R13-N48 WeakPolarHBondContact CA-OD1 3.41Å; R13-N48 VanDerWaalsContact CB-OD1 3.31Å; R13-N48 WeakPolarHBondContact CB-OD1 3.31Å; N14-N48 PolarHBondContact N-OD1 3.31Å; S46-N48 PolarHBondContact O-N 2.84Å; S46-N48 PolarHBondContact OG-N 3.34Å; S46-N48 PolarHBondContact OG-O 2.84Å; S46-N48 VanDerWaalsContact OG-O 3.07Å
49P96Very high94.8Very high1 Ų173.8 Ų73.81%0.00635%0.354CS..  trans-68.5151.6-176.131.2-38.3000111.8S11 A12 L15 A27 V43 W51S11-P49 CarbonylContact C-O 3.16Å; S11-P49 WeakPolarHBondContact CA-O 3.29Å; S11-P49 WeakPolarHBondContact CB-O 3.25Å; A12-P49 HydrophobicContact CB-CG 3.87Å; A12-P49 PolarHBondContact N-O 3.25Å; L15-P49 HydrophobicContact CD1-CG 3.75Å; A27-P49 HydrophobicContact CB-CB 4.29Å; A27-P49 HydrophobicContact CB-CG 3.95Å; V43-P49 HydrophobicContact CB-CB 3.7Å; V43-P49 HydrophobicContact CG1-CB 3.6Å; V43-P49 HydrophobicContact CG2-CB 4.36Å; P49-W51 HydrophobicContact CB-CH2 3.92Å; P49-W51 HydrophobicContact CB-CZ2 3.8Å; P49-W51 HydrophobicContact CB-CZ3 4.33Å; P49-W51 HydrophobicContact CG-CH2 3.34Å; P49-W51 HydrophobicContact CG-CZ2 3.69Å; P49-W51 HydrophobicContact CG-CZ3 3.84Å
50S96.6Very high94.4Very high68 Ų6869.5 Ų69.548%0.47634%0.337SS..BIsolated β-bridgetrans-136.3107.7-176.7-166.40000108.9N52S50-N52 PolarHBondContact OG-ND2 3.12Å
51W95.9Very high93.8Very high31 Ų3172.7 Ų72.712%0.11735%0.353CS..  trans-99.6-37.5-174.7-61.9-82.6000112.4V9 I10 A12 A27 V29 T40 E41 V43 P49 S53V9-W51 HydrophobicContact CG1-CD2 4.1Å; V9-W51 HydrophobicContact CG1-CE3 3.53Å; V9-W51 HydrophobicContact CG1-CZ3 3.99Å; I10-W51 PolarHBondContact O-N 2.88Å; A12-W51 HydrophobicContact CB-CH2 3.97Å; A12-W51 HydrophobicContact CB-CZ3 3.79Å; A27-W51 HydrophobicContact CB-CH2 4.48Å; A27-W51 HydrophobicContact CB-CZ2 4.01Å; V29-W51 HydrophobicContact CG2-CE3 4.45Å; V29-W51 HydrophobicContact CG2-CH2 3.51Å; V29-W51 HydrophobicContact CG2-CZ2 3.72Å; V29-W51 HydrophobicContact CG2-CZ3 3.91Å; T40-W51 HydrophobicContact CG2-CG 4.43Å; T40-W51 PolarHBondContact OG1-NE1 3.45Å; E41-W51 VanDerWaalsContact O-CD1 3.22Å; E41-W51 PolarHBondContact O-NE1 3.17Å; V43-W51 VanDerWaalsContact CG2-CD1 3.46Å; V43-W51 HydrophobicContact CG2-CG 4.12Å; P49-W51 HydrophobicContact CB-CH2 3.92Å; P49-W51 HydrophobicContact CB-CZ2 3.8Å; P49-W51 HydrophobicContact CB-CZ3 4.33Å; P49-W51 HydrophobicContact CG-CH2 3.34Å; P49-W51 HydrophobicContact CG-CZ2 3.69Å; P49-W51 HydrophobicContact CG-CZ3 3.84Å; W51-S53 PolarHBondContact O-N 3.25Å; W51-S53 VanDerWaalsContact O-N 3.12Å
52N93.8Very high93.1Very high80 Ų8066.1 Ų66.143%0.42832%0.323SS..  trans47.536.4-177.1-61.1-77.9000114.3R8 V9 I10 S50R8-N52 PolarHBondContact NH2-O 3.5Å; V9-N52 PolarHBondContact O-N 3.15Å; I10-N52 PolarHBondContact O-N 3Å; S50-N52 PolarHBondContact OG-ND2 3.12Å
53S94.1Very high92.6Very high17 Ų1769.1 Ų69.112%0.11933%0.33CS..  trans-52.5165-164.978.20000114.1R8 V9 W51 F56R8-S53 VanDerWaalsContact CG-O 3.23Å; R8-S53 WeakPolarHBondContact CG-O 3.16Å; R8-S53 PolarHBondContact NE-O 2.81Å; R8-S53 PolarHBondContact NH2-O 3.43Å; V9-S53 PolarHBondContact N-OG 3.28Å; V9-S53 PolarHBondContact O-N 2.91Å; V9-S53 PolarHBondContact O-OG 3.41Å; W51-S53 PolarHBondContact O-N 3.25Å; W51-S53 VanDerWaalsContact O-N 3.12Å; S53-F56 WeakPolarHBondContact OG-CE2 3.28Å
54E94.2Very high92.2Very high174 Ų17468.4 Ų68.481%0.81333%0.328SS*.  trans-68.6177.1159.6-59.6-159.9150.300111.2F56E54-F56 PolarHBondContact O-N 2.78Å
55W94.7Very high91.8Very high119 Ų11961.9 Ų61.945%0.45130%0.304SS..  trans-81.4105.4178-71.597.9000110.8K6 V7 R8 C57 A125 R127K6-W55 HydrophobicContact CB-CD2 4.43Å; K6-W55 HydrophobicContact CB-CE3 3.71Å; K6-W55 HydrophobicContact CB-CZ3 4.23Å; K6-W55 WeakPolarHBondContact O-CZ3 3.2Å; V7-W55 CarbonylContact O-C 3.57Å; V7-W55 WeakPolarHBondContact O-CA 3.08Å; R8-W55 HydrophobicContact CB-CD2 4.03Å; R8-W55 HydrophobicContact CB-CE3 3.82Å; R8-W55 HydrophobicContact CB-CH2 4.28Å; R8-W55 HydrophobicContact CB-CZ2 4.45Å; R8-W55 HydrophobicContact CB-CZ3 3.96Å; W55-C57 PolarHBondContact O-N 3.13Å; W55-C57 PolarHBondContact O-SG 3.27Å; W55-A125 HydrophobicContact CH2-CB 3.94Å; W55-A125 HydrophobicContact CZ3-CB 4.43Å; W55-A125 WeakPolarHBondContact CZ3-O 3.27Å; W55-R127 HydrophobicContact CH2-CB 4.45Å; W55-R127 HydrophobicContact CZ3-CB 4.28Å
56F95.8Very high91.5Very high39 Ų3954.5 Ų54.517%0.17128%0.276CS..EExtended strand (participates in β ladder)trans-63.8124.3166.1-59.4-74.5000108.9K6 V7 V9 L31 Y38 K39 T40 S53 E54 F58K6-F56 CarbonylContact C-O 3.57Å; K6-F56 VanDerWaalsContact CA-O 3.31Å; K6-F56 WeakPolarHBondContact CA-O 3.38Å; V7-F56 PolarHBondContact N-O 3.48Å; V7-F56 PolarHBondContact O-N 3.14Å; V9-F56 HydrophobicContact CG2-CE2 4.2Å; L31-F56 HydrophobicContact CD1-CD2 3.89Å; L31-F56 HydrophobicContact CD1-CE2 3.82Å; L31-F56 HydrophobicContact CD1-CG 4.4Å; L31-F56 HydrophobicContact CD1-CZ 4.28Å; L31-F56 HydrophobicContact CD2-CD2 3.82Å; L31-F56 HydrophobicContact CD2-CE2 4.42Å; L31-F56 HydrophobicContact CD2-CG 4.41Å; Y38-F56 HydrophobicContact CD1-CD1 4.21Å; Y38-F56 HydrophobicContact CD2-CB 4.05Å; Y38-F56 HydrophobicContact CD2-CD1 4.39Å; Y38-F56 HydrophobicContact CG-CB 4.3Å; Y38-F56 AromaticContact CG-CD1 3.8Å; Y38-F56 HydrophobicContact CG-CD1 3.8Å; Y38-F56 HydrophobicContact CG-CG 4.39Å; K39-F56 WeakPolarHBondContact O-CE1 3.47Å; T40-F56 HydrophobicContact CG2-CE2 4.09Å; T40-F56 HydrophobicContact CG2-CZ 4.14Å; S53-F56 WeakPolarHBondContact OG-CE2 3.28Å; E54-F56 PolarHBondContact O-N 2.78Å; F56-F58 HydrophobicContact CB-CE2 4.49Å
57C94Very high91.3Very high55 Ų5553.4 Ų53.437%0.37227%0.268SS..EExtended strand (participates in β ladder)trans-114.6112.8-174.1-650000110.3Y38 W55Y38-C57 PolarHBondContact OH-O 3.06Å; W55-C57 PolarHBondContact O-N 3.13Å; W55-C57 PolarHBondContact O-SG 3.27Å
58F92.7Very high91.1Very high0 Ų052.9 Ų52.90%026%0.264CS..EExtended strand (participates in β ladder)trans-94.3129.1171.7-58.1-98.6000109.2T4 V5 V7 L31 I33 I36 Y38 F56 L60 L70T4-F58 CarbonylContact C-O 3.57Å; T4-F58 VanDerWaalsContact CA-O 3.26Å; T4-F58 WeakPolarHBondContact CA-O 3.23Å; V5-F58 HydrophobicContact CB-CB 4.29Å; V5-F58 PolarHBondContact N-O 3.31Å; V5-F58 PolarHBondContact O-N 3Å; V7-F58 HydrophobicContact CG2-CD2 4.23Å; V7-F58 HydrophobicContact CG2-CE2 3.87Å; L31-F58 HydrophobicContact CB-CE2 4.4Å; L31-F58 HydrophobicContact CB-CZ 3.84Å; I33-F58 HydrophobicContact CB-CD1 4.04Å; I33-F58 HydrophobicContact CB-CE1 4.25Å; I33-F58 HydrophobicContact CD1-CB 3.87Å; I33-F58 HydrophobicContact CD1-CD1 3.83Å; I33-F58 HydrophobicContact CD1-CD2 3.7Å; I33-F58 HydrophobicContact CD1-CE1 4.25Å; I33-F58 HydrophobicContact CD1-CE2 4.13Å; I33-F58 HydrophobicContact CD1-CG 3.54Å; I33-F58 HydrophobicContact CD1-CZ 4.38Å; I33-F58 HydrophobicContact CG1-CD1 3.72Å; I33-F58 HydrophobicContact CG1-CD2 4.24Å; I33-F58 HydrophobicContact CG1-CE1 3.76Å; I33-F58 HydrophobicContact CG1-CE2 4.28Å; I33-F58 HydrophobicContact CG1-CG 3.97Å; I33-F58 HydrophobicContact CG1-CZ 4.03Å; I36-F58 HydrophobicContact CB-CD1 3.86Å; I36-F58 HydrophobicContact CB-CE1 4.2Å; I36-F58 HydrophobicContact CG2-CD1 3.54Å; I36-F58 HydrophobicContact CG2-CE1 3.86Å; Y38-F58 HydrophobicContact CD2-CD1 4.18Å; Y38-F58 HydrophobicContact CD2-CD2 4.5Å; Y38-F58 AromaticContact CD2-CE1 3.69Å; Y38-F58 HydrophobicContact CD2-CE1 3.69Å; Y38-F58 HydrophobicContact CD2-CE2 4.05Å; Y38-F58 AromaticContact CD2-CZ 3.63Å; Y38-F58 HydrophobicContact CD2-CZ 3.63Å; Y38-F58 AromaticContact CE2-CD1 3.96Å; Y38-F58 HydrophobicContact CE2-CD1 3.96Å; Y38-F58 HydrophobicContact CE2-CD2 4.46Å; Y38-F58 AromaticContact CE2-CE1 3.95Å; Y38-F58 HydrophobicContact CE2-CE1 3.95Å; Y38-F58 HydrophobicContact CE2-CE2 4.45Å; Y38-F58 HydrophobicContact CE2-CG 4.22Å; Y38-F58 HydrophobicContact CE2-CZ 4.21Å; F56-F58 HydrophobicContact CB-CE2 4.49Å; F58-L60 HydrophobicContact CB-CG 4.48Å; F58-L70 HydrophobicContact CE2-CD1 4.34Å; F58-L70 HydrophobicContact CZ-CD1 4.41Å
59E90.3Very high90.9Very high123 Ų12349.5 Ų49.558%0.57525%0.248SC*.EExtended strand (participates in β ladder)trans-99.6127.1168.1-54.3-162.7151.400108.5M1 T4 I36M1-E59 WeakPolarHBondContact CE-OE2 3.17Å; T4-E59 HydrophobicContact CG2-CG 4.15Å; I36-E59 WeakPolarHBondContact CD1-O 3.1Å
60L87Confident90.8Very high21 Ų2149.4 Ų49.411%0.1125%0.248CC..EExtended strand (participates in β ladder)trans-128.6158.2-173.4-59.6175.4000110.7P2 G3 V5 I33 I36 F58 A64 L65P2-L60 WeakPolarHBondContact CG-O 3.12Å; G3-L60 PolarHBondContact O-N 2.87Å; G3-L60 VanDerWaalsContact O-N 3.17Å; V5-L60 HydrophobicContact CG2-CD1 3.71Å; I33-L60 HydrophobicContact CB-CD2 4.41Å; I33-L60 HydrophobicContact CD1-CD1 4.12Å; I33-L60 HydrophobicContact CG2-CD1 3.96Å; I33-L60 HydrophobicContact CG2-CD2 4.08Å; I36-L60 HydrophobicContact CD1-CD2 4.22Å; F58-L60 HydrophobicContact CB-CG 4.48Å; L60-A64 HydrophobicContact CD2-CB 4.39Å; L60-L65 HydrophobicContact CB-CB 4.37Å; L60-L65 HydrophobicContact CD1-CB 4.46Å; L60-L65 HydrophobicContact CD1-CD1 4.03Å
61D85.4Confident90.7Very high82 Ų8246.7 Ų46.744%0.43923%0.228SC..  trans-84.5169.7164.975.7-18.9000111.3P2 R63 A64 L65P2-D61 VanDerWaalsContact CG-C 3.44Å; P2-D61 VanDerWaalsContact CG-CA 3.47Å; P2-D61 HydrophobicContact CG-CB 4.47Å; D61-R63 PolarHBondContact O-N 3.44Å; D61-A64 WeakPolarHBondContact OD1-CB 3.47Å; D61-A64 PolarHBondContact OD1-N 3.31Å; D61-L65 VanDerWaalsContact O-CB 3.26Å; D61-L65 WeakPolarHBondContact O-CB 3.3Å; D61-L65 PolarHBondContact O-N 3.21Å; D61-L65 VanDerWaalsContact O-N 3.11Å
62D80.4Confident90.7Very high34 Ų3445.2 Ų45.218%0.18222%0.222CC..THydrogen-bonded Turntrans-59.5-30.3-179-90.4-47.4000111.7P2 S140 L142P2-D62 HydrophobicContact CB-CB 4.15Å; P2-D62 WeakPolarHBondContact CB-OD1 3.37Å; P2-D62 WeakPolarHBondContact CB-OD2 3.46Å; P2-D62 HydrophobicContact CG-CB 4.32Å; D62-S140 WeakPolarHBondContact OD1-CB 3.5Å; D62-L142 WeakPolarHBondContact OD1-CD1 3.42Å
63R85.3Confident90.8Very high108 Ų10843.8 Ų43.841%0.40821%0.212SC..THydrogen-bonded Turntrans-73.5-59.3-179.7-179.1174.5-178.3176.73111D61 L65 Q66 D67 E202D61-R63 PolarHBondContact O-N 3.44Å; R63-L65 PolarHBondContact O-N 2.84Å; R63-Q66 PolarHBondContact O-N 3.46Å; R63-D67 HydrophobicContact CG-CB 4.46Å; R63-D67 WeakPolarHBondContact CG-OD2 3.15Å; R63-D67 IonicContact CZ-OD2 2.72Å; R63-D67 IonicContact NE-OD2 3.73Å; R63-D67 PolarHBondContact NE-OD2 2.91Å; R63-D67 IonicContact NH2-OD2 2.81Å; R63-D67 WeakPolarHBondContact O-CB 3.47Å; R63-D67 PolarHBondContact O-N 3.19Å; R63-E202 IonicContact NH2-OE1 3.63Å; R63-E202 IonicContact NH2-OE2 2.75Å; R63-E202 PolarHBondContact NH2-OE2 3.49Å
64A87Confident90.9Very high22 Ų2243 Ų4318%0.18221%0.207CC..Hα-helixtrans-63.1-28.4-177.200000112.5L60 D61 Q66 E68L60-A64 HydrophobicContact CD2-CB 4.39Å; D61-A64 WeakPolarHBondContact OD1-CB 3.47Å; D61-A64 PolarHBondContact OD1-N 3.31Å; A64-Q66 PolarHBondContact O-N 3.06Å; A64-E68 PolarHBondContact O-N 2.95Å
65L85.8Confident91Very high1 Ų135.3 Ų35.31%0.00517%0.171CC..Hα-helixtrans-63.9-21.4174.3-17563000113.8V5 L60 D61 R63 L93 L97 V128 V130V5-L65 HydrophobicContact CG2-CD1 3.73Å; L60-L65 HydrophobicContact CB-CB 4.37Å; L60-L65 HydrophobicContact CD1-CB 4.46Å; L60-L65 HydrophobicContact CD1-CD1 4.03Å; D61-L65 VanDerWaalsContact O-CB 3.26Å; D61-L65 WeakPolarHBondContact O-CB 3.3Å; D61-L65 PolarHBondContact O-N 3.21Å; D61-L65 VanDerWaalsContact O-N 3.11Å; R63-L65 PolarHBondContact O-N 2.84Å; L65-L93 HydrophobicContact CD1-CD1 4.23Å; L65-L97 HydrophobicContact CD1-CD2 4.04Å; L65-L97 HydrophobicContact CD2-CD2 3.87Å; L65-L97 HydrophobicContact CG-CD1 4.21Å; L65-L97 HydrophobicContact CG-CD2 3.81Å; L65-V128 HydrophobicContact CD1-CG1 4.05Å; L65-V130 HydrophobicContact CD2-CG1 4.3Å; L65-V130 HydrophobicContact CD2-CG2 4.18Å
66Q86.4Confident91Very high10 Ų1030.2 Ų30.25%0.04715%0.152CC..Hα-helixtrans-109.8-34176.2-59.1-158.9-105.600113.3R63 A64 N94 L97 S141 G201 R205R63-Q66 PolarHBondContact O-N 3.46Å; A64-Q66 PolarHBondContact O-N 3.06Å; Q66-N94 PolarHBondContact NE2-OD1 3.44Å; Q66-N94 VanDerWaalsContact NE2-OD1 3.11Å; Q66-N94 PolarHBondContact O-ND2 2.93Å; Q66-L97 HydrophobicContact CG-CD1 3.74Å; Q66-S141 PolarHBondContact NE2-OG 2.76Å; Q66-S141 PolarHBondContact OE1-OG 3.13Å; Q66-G201 VanDerWaalsContact O-CA 3.29Å; Q66-G201 WeakPolarHBondContact O-CA 3.48Å; Q66-R205 HydrophobicContact CB-CB 4.24Å; Q66-R205 HydrophobicContact CB-CG 4.46Å
67D90.7Very high90.9Very high8 Ų830.5 Ų30.54%0.04315%0.154CC..Hα-helixtrans-81.5-34-177-70.613.3000112.9R63 R198 E202 R205R63-D67 HydrophobicContact CG-CB 4.46Å; R63-D67 WeakPolarHBondContact CG-OD2 3.15Å; R63-D67 IonicContact CZ-OD2 2.72Å; R63-D67 IonicContact NE-OD2 3.73Å; R63-D67 PolarHBondContact NE-OD2 2.91Å; R63-D67 IonicContact NH2-OD2 2.81Å; R63-D67 WeakPolarHBondContact O-CB 3.47Å; R63-D67 PolarHBondContact O-N 3.19Å; D67-R198 VanDerWaalsContact O-CA 3.27Å; D67-R198 WeakPolarHBondContact O-CA 3.49Å; D67-R198 WeakPolarHBondContact O-CG 3.33Å; D67-E202 WeakPolarHBondContact OD1-CA 3.3Å; D67-R205 VanDerWaalsContact CG-NH2 3.26Å; D67-R205 IonicContact OD1-CZ 3.91Å; D67-R205 IonicContact OD1-NE 3.81Å; D67-R205 PolarHBondContact OD1-NE 2.93Å; D67-R205 IonicContact OD1-NH2 3.44Å; D67-R205 PolarHBondContact OD1-NH2 3.35Å; D67-R205 IonicContact OD2-CZ 2.71Å; D67-R205 IonicContact OD2-NE 3.02Å; D67-R205 IonicContact OD2-NH2 3.6Å; D67-R205 PolarHBondContact OD2-NH2 3.43Å
68E90.7Very high90.8Very high31 Ų3130.7 Ų30.715%0.14515%0.151CC..SBendtrans-110117.6-173.9-71.5-80.3153.700112I33 G34 A64 R194 R198I33-E68 HydrophobicContact CG2-CB 4Å; G34-E68 WeakPolarHBondContact CA-OE2 3.31Å; G34-E68 PolarHBondContact N-OE2 2.87Å; A64-E68 PolarHBondContact O-N 2.95Å; E68-R194 IonicContact OE2-CZ 2.79Å; E68-R194 IonicContact OE2-NE 2.84Å; E68-R194 IonicContact OE2-NH2 2.88Å; E68-R194 PolarHBondContact OE2-NH2 2.98Å; E68-R198 WeakPolarHBondContact OE1-CD 3.1Å
69A92.3Very high90.6Very high15 Ų1534.8 Ų34.812%0.12418%0.177CC..  trans-69.7148.1171.200000112.2L71 F91 S197A69-L71 PolarHBondContact O-N 3.31Å; A69-F91 WeakPolarHBondContact CA-O 3.43Å; A69-F91 WeakPolarHBondContact CB-O 3.35Å; A69-S197 VanDerWaalsContact CB-OG 3.3Å; A69-S197 WeakPolarHBondContact CB-OG 3.43Å
70L94.2Very high90.4Very high0 Ų039.9 Ų39.90%019%0.192CC..EExtended strand (participates in β ladder)trans-77.2115.2172.2161.263.6000109.8V5 V7 I33 F58 L72 F91 L93 I126V5-L70 HydrophobicContact CG1-CD2 4.43Å; V7-L70 HydrophobicContact CG2-CD1 4.22Å; V7-L70 HydrophobicContact CG2-CD2 3.53Å; I33-L70 HydrophobicContact CD1-CB 4.09Å; I33-L70 HydrophobicContact CD1-CD1 4.05Å; I33-L70 HydrophobicContact CG1-CB 4.01Å; I33-L70 HydrophobicContact CG1-CD1 3.7Å; I33-L70 HydrophobicContact CG1-CG 4.43Å; F58-L70 HydrophobicContact CE2-CD1 4.34Å; F58-L70 HydrophobicContact CZ-CD1 4.41Å; L70-L72 HydrophobicContact CD1-CD1 3.82Å; L70-L72 HydrophobicContact CD2-CD1 4.2Å; L70-L72 HydrophobicContact CG-CD1 3.77Å; L70-F91 HydrophobicContact CB-CB 4.06Å; L70-F91 HydrophobicContact CD2-CB 4.38Å; L70-F91 HydrophobicContact CG-CB 4.3Å; L70-F91 HydrophobicContact CG-CD2 4.41Å; L70-F91 PolarHBondContact N-O 3.16Å; L70-F91 PolarHBondContact O-N 3.45Å; L70-L93 HydrophobicContact CB-CD2 4.14Å; L70-L93 HydrophobicContact CB-CG 4.48Å; L70-L93 HydrophobicContact CD2-CD2 4.49Å; L70-I126 HydrophobicContact CD2-CD1 3.6Å; L70-I126 HydrophobicContact CD2-CG1 3.93Å; L70-I126 HydrophobicContact CD2-CG2 4.22Å
71L94.6Very high90.5Very high10 Ų1042.2 Ų42.25%0.05221%0.21CC..EExtended strand (participates in β ladder)trans-105.6122179.9170.457.5000110.1C32 A69 K73 R88 Y90C32-L71 HydrophobicContact CB-CB 4.44Å; C32-L71 PolarHBondContact N-O 3.09Å; C32-L71 PolarHBondContact O-N 2.9Å; A69-L71 PolarHBondContact O-N 3.31Å; L71-K73 HydrophobicContact CD1-CG 4.48Å; L71-K73 HydrophobicContact CD2-CG 4.47Å; L71-K73 HydrophobicContact CG-CG 4.23Å; L71-R88 HydrophobicContact CD1-CB 3.93Å; L71-R88 HydrophobicContact CD1-CG 3.96Å; L71-Y90 HydrophobicContact CB-CD1 4.39Å; L71-Y90 HydrophobicContact CD1-CD1 3.86Å; L71-Y90 HydrophobicContact CD1-CD2 4.42Å; L71-Y90 HydrophobicContact CD1-CE1 3.72Å; L71-Y90 HydrophobicContact CD1-CE2 4.31Å; L71-Y90 HydrophobicContact CD1-CG 4.22Å; L71-Y90 HydrophobicContact CD2-CE1 4.13Å; L71-Y90 HydrophobicContact CG-CE1 4.36Å
72L96.2Very high90.6Very high0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-103.7128.4166-70.287.8000109.6V7 V9 V29 E30 L31 L70 R88 V89 F91 L124V7-L72 HydrophobicContact CG1-CD2 4.45Å; V9-L72 HydrophobicContact CG2-CD2 4.26Å; V29-L72 HydrophobicContact CG1-CB 4.16Å; V29-L72 HydrophobicContact CG1-CD2 3.96Å; V29-L72 HydrophobicContact CG1-CG 4.46Å; E30-L72 CarbonylContact O-C 3.57Å; E30-L72 VanDerWaalsContact O-CA 3.3Å; E30-L72 WeakPolarHBondContact O-CA 3.44Å; L31-L72 HydrophobicContact CB-CG 4.46Å; L31-L72 HydrophobicContact CD2-CD2 3.78Å; L31-L72 HydrophobicContact CD2-CG 4.21Å; L31-L72 HydrophobicContact CG-CD2 3.89Å; L31-L72 HydrophobicContact CG-CG 4.03Å; L70-L72 HydrophobicContact CD1-CD1 3.82Å; L70-L72 HydrophobicContact CD2-CD1 4.2Å; L70-L72 HydrophobicContact CG-CD1 3.77Å; L72-R88 CarbonylContact O-C 3.58Å; L72-R88 VanDerWaalsContact O-CA 3.24Å; L72-R88 WeakPolarHBondContact O-CA 3.39Å; L72-V89 PolarHBondContact N-O 3.23Å; L72-V89 PolarHBondContact O-N 3.14Å; L72-F91 HydrophobicContact CD1-CD2 3.79Å; L72-F91 HydrophobicContact CD1-CE2 3.85Å; L72-L124 HydrophobicContact CD1-CD1 4.32Å; L72-L124 HydrophobicContact CD2-CD1 3.78Å; L72-L124 HydrophobicContact CD2-CD2 3.7Å; L72-L124 HydrophobicContact CD2-CG 4.42Å
73K95.3Very high91.1Very high50 Ų5044.2 Ų44.222%0.21723%0.231CC..EExtended strand (participates in β ladder)trans-106.3125.6172.3-51.1-166.9176.1-163.10109.2V29 E30 L71 M75 R88 E190V29-K73 CarbonylContact C-O 3.48Å; V29-K73 WeakPolarHBondContact CA-O 3.4Å; E30-K73 HydrophobicContact CB-CB 4.28Å; E30-K73 PolarHBondContact N-O 2.95Å; E30-K73 PolarHBondContact O-N 2.97Å; L71-K73 HydrophobicContact CD1-CG 4.48Å; L71-K73 HydrophobicContact CD2-CG 4.47Å; L71-K73 HydrophobicContact CG-CG 4.23Å; K73-M75 HydrophobicContact CB-CG 4.35Å; K73-M75 HydrophobicContact CB-SD 4.1Å; K73-R88 HydrophobicContact CB-CG 4.44Å; K73-R88 HydrophobicContact CG-CG 4.16Å; K73-E190 IonicContact NZ-OE2 2.68Å; K73-E190 PolarHBondContact NZ-OE2 3.04Å
74V96.6Very high91.4Very high1 Ų143.3 Ų43.31%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-94.7127.1171.5-168.60000108L15 V29 I86 G87 I111 I122L15-V74 HydrophobicContact CD2-CG1 4.46Å; V29-V74 HydrophobicContact CG2-CG2 4.43Å; V74-I86 HydrophobicContact CB-CB 4.39Å; V74-I86 HydrophobicContact CG1-CB 4.39Å; V74-I86 HydrophobicContact CG1-CD1 4.24Å; V74-I86 WeakPolarHBondContact O-CB 3.46Å; V74-I86 PolarHBondContact O-N 2.76Å; V74-G87 PolarHBondContact N-O 3.43Å; V74-G87 PolarHBondContact O-N 3.01Å; V74-I111 HydrophobicContact CB-CG2 4.35Å; V74-I111 HydrophobicContact CG2-CD1 3.99Å; V74-I111 HydrophobicContact CG2-CG1 4.12Å; V74-I111 HydrophobicContact CG2-CG2 4.12Å; V74-I122 HydrophobicContact CG2-CD1 4.06Å
75M95.4Very high91.6Very high12 Ų1243.6 Ų43.66%0.05923%0.234CC..EExtended strand (participates in β ladder)trans-129.7148.5-165.6-60.3-61.5-59.400110.6A27 F28 E30 K73 H83 D84 T85A27-M75 WeakPolarHBondContact CA-O 3.29Å; F28-M75 HydrophobicContact CD1-CB 3.77Å; F28-M75 HydrophobicContact CD2-CB 4.14Å; F28-M75 HydrophobicContact CE1-CB 3.34Å; F28-M75 HydrophobicContact CE1-CG 4.33Å; F28-M75 HydrophobicContact CE2-CB 3.74Å; F28-M75 HydrophobicContact CE2-CG 3.92Å; F28-M75 HydrophobicContact CG-CB 4.16Å; F28-M75 HydrophobicContact CZ-CB 3.33Å; F28-M75 HydrophobicContact CZ-CG 3.82Å; F28-M75 PolarHBondContact N-O 2.81Å; F28-M75 PolarHBondContact O-N 3.5Å; E30-M75 HydrophobicContact CG-CG 4.03Å; K73-M75 HydrophobicContact CB-CG 4.35Å; K73-M75 HydrophobicContact CB-SD 4.1Å; M75-H83 HydrophobicContact CE-CB 3.84Å; M75-H83 VanDerWaalsContact CE-O 3.23Å; M75-H83 WeakPolarHBondContact CE-O 3.39Å; M75-D84 WeakPolarHBondContact CA-O 3.48Å; M75-T85 HydrophobicContact CE-CG2 3.58Å; M75-T85 HydrophobicContact SD-CG2 3.6Å
76D95.1Very high92Very high12 Ų1243.7 Ų43.76%0.06423%0.234CC..EExtended strand (participates in β ladder)trans-100.1124.9171.2-164.939.3000110.4M18 T25 D26 D78 H83 D84 I86M18-D76 HydrophobicContact CB-CB 4.16Å; M18-D76 WeakPolarHBondContact CB-OD2 3.35Å; M18-D76 HydrophobicContact CG-CB 4.13Å; T25-D76 HydrophobicContact CG2-CB 4.36Å; T25-D76 WeakPolarHBondContact CG2-OD1 3.37Å; D26-D76 PolarHBondContact N-OD1 3.14Å; D76-D78 PolarHBondContact O-N 3.18Å; D76-H83 VanDerWaalsContact O-CA 3.31Å; D76-H83 WeakPolarHBondContact O-CA 3.31Å; D76-H83 VanDerWaalsContact O-CB 3.29Å; D76-H83 WeakPolarHBondContact O-CB 3.41Å; D76-D84 HydrophobicContact CB-CB 4.35Å; D76-D84 PolarHBondContact N-O 3.07Å; D76-D84 PolarHBondContact O-N 3.23Å; D76-I86 HydrophobicContact CB-CD1 4.2Å; D76-I86 HydrophobicContact CB-CG1 4.27Å
77H93.6Very high92.4Very high45 Ų4543.2 Ų43.221%0.20823%0.232CC..  trans-80.287.4-176.5179.9-69.9000111.3D26 F28 V42 R44 H83D26-H77 HydrophobicContact CB-CB 4.21Å; D26-H77 VanDerWaalsContact O-CB 3.29Å; D26-H77 WeakPolarHBondContact O-CB 3.37Å; D26-H77 PolarHBondContact O-N 3.42Å; F28-H77 HydrophobicContact CD1-CB 3.85Å; F28-H77 HydrophobicContact CE1-CB 3.98Å; V42-H77 HydrophobicContact CB-CB 4.44Å; V42-H77 HydrophobicContact CG1-CB 3.49Å; V42-H77 VanDerWaalsContact CG1-CB 3.49Å; V42-H77 HydrophobicContact CG2-CB 4.01Å; R44-H77 PolarHBondContact NH2-ND1 3.21Å; H77-H83 AromaticContact CD2-CE1 3.6Å; H77-H83 AromaticContact NE2-CE1 3.8Å
78D91.9Very high92.5Very high59 Ų5943 Ų4332%0.31623%0.231SC..  trans-70.5144.4164.8-133.2-23.1000111.7D76 S81 H83D76-D78 PolarHBondContact O-N 3.18Å; D78-S81 PolarHBondContact OD1-OG 3.29Å; D78-S81 WeakPolarHBondContact OD2-CB 3.25Å; D78-S81 PolarHBondContact OD2-OG 2.93Å; D78-H83 PolarHBondContact N-ND1 2.81Å; D78-H83 PolarHBondContact O-CE1 2.89Å; D78-H83 VanDerWaalsContact O-CE1 3.24Å; D78-H83 PolarHBondContact O-ND1 2.91Å; D78-H83 VanDerWaalsContact O-ND1 3.12Å
79T88.5Confident92.7Very high87 Ų8741.8 Ų41.853%0.53423%0.225SC..SBendtrans-101.3-27.4-175.5-59.40000113.4
80Y86.9Confident92.7Very high230 Ų23042.9 Ų42.990%0.90223%0.226SC*.SBendtrans-119.9-3.2-178.5-59.6-72.4000113.2
81S88.4Confident92.6Very high69 Ų6943 Ų4348%0.48323%0.227SC..SBendtrans-122.9175.6179.1-13.50000110.3D78D78-S81 PolarHBondContact OD1-OG 3.29Å; D78-S81 WeakPolarHBondContact OD2-CB 3.25Å; D78-S81 PolarHBondContact OD2-OG 2.93Å
82A88.2Confident92.3Very high89 Ų8944 Ų4474%0.73623%0.232SC*.PPolyproline II helixtrans-69.3141.2165.600000110.3D84A82-D84 PolarHBondContact O-N 2.76Å
83H90.5Very high92Very high70 Ų7044 Ų4432%0.32423%0.233SC..PPolyproline II helixtrans-61128.7-179.8-54.8-39.4000112F28 M75 D76 H77 D78F28-H83 HydrophobicContact CE1-CB 4.06Å; F28-H83 AromaticContact CE1-CD2 3.95Å; F28-H83 AromaticContact CE1-CG 3.89Å; F28-H83 HydrophobicContact CZ-CB 4.05Å; F28-H83 AromaticContact CZ-CD2 3.54Å; F28-H83 AromaticContact CZ-CG 3.87Å; M75-H83 HydrophobicContact CE-CB 3.84Å; M75-H83 VanDerWaalsContact CE-O 3.23Å; M75-H83 WeakPolarHBondContact CE-O 3.39Å; D76-H83 VanDerWaalsContact O-CA 3.31Å; D76-H83 WeakPolarHBondContact O-CA 3.31Å; D76-H83 VanDerWaalsContact O-CB 3.29Å; D76-H83 WeakPolarHBondContact O-CB 3.41Å; H77-H83 AromaticContact CD2-CE1 3.6Å; H77-H83 AromaticContact NE2-CE1 3.8Å; D78-H83 PolarHBondContact N-ND1 2.81Å; D78-H83 PolarHBondContact O-CE1 2.89Å; D78-H83 VanDerWaalsContact O-CE1 3.24Å; D78-H83 PolarHBondContact O-ND1 2.91Å; D78-H83 VanDerWaalsContact O-ND1 3.12Å
84D90.7Very high91.6Very high89 Ų8942.6 Ų42.648%0.47623%0.227SC..EExtended strand (participates in β ladder)trans-83.3138.6-172.5-127.8-3.9000111.2M18 M75 D76 A82 I86M18-D84 HydrophobicContact CE-CB 3.86Å; M75-D84 WeakPolarHBondContact CA-O 3.48Å; D76-D84 HydrophobicContact CB-CB 4.35Å; D76-D84 PolarHBondContact N-O 3.07Å; D76-D84 PolarHBondContact O-N 3.23Å; A82-D84 PolarHBondContact O-N 2.76Å; D84-I86 PolarHBondContact O-N 3.39Å
85T91.6Very high91Very high28 Ų2842.9 Ų42.917%0.17223%0.229CC..EExtended strand (participates in β ladder)trans-87.1114.1-174.257.20000110.6M75 R88 R186M75-T85 HydrophobicContact CE-CG2 3.58Å; M75-T85 HydrophobicContact SD-CG2 3.6Å; T85-R88 VanDerWaalsContact CB-NH2 3.31Å; T85-R88 VanDerWaalsContact CG2-NH2 3.31Å; T85-R88 PolarHBondContact OG1-NH2 3.26Å; T85-R186 PolarHBondContact O-NH1 3.35Å; T85-R186 WeakPolarHBondContact OG1-CD 3.39Å; T85-R186 PolarHBondContact OG1-NH1 3.28Å
86I94Very high90.4Very high2 Ų242.5 Ų42.51%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-77-45.4179.6-58.8179.7000110.4P16 M18 T25 V74 D76 D84 R119P16-I86 HydrophobicContact CG-CG2 3.72Å; M18-I86 HydrophobicContact CE-CG1 4.37Å; M18-I86 HydrophobicContact CG-CD1 4.09Å; M18-I86 HydrophobicContact CG-CG1 3.98Å; M18-I86 HydrophobicContact SD-CG1 4.15Å; T25-I86 HydrophobicContact CG2-CD1 3.48Å; T25-I86 VanDerWaalsContact CG2-CD1 3.48Å; V74-I86 HydrophobicContact CB-CB 4.39Å; V74-I86 HydrophobicContact CG1-CB 4.39Å; V74-I86 HydrophobicContact CG1-CD1 4.24Å; V74-I86 WeakPolarHBondContact O-CB 3.46Å; V74-I86 PolarHBondContact O-N 2.76Å; D76-I86 HydrophobicContact CB-CD1 4.2Å; D76-I86 HydrophobicContact CB-CG1 4.27Å; D84-I86 PolarHBondContact O-N 3.39Å; I86-R119 HydrophobicContact CG2-CB 4.1Å; I86-R119 WeakPolarHBondContact O-CG 3.41Å
87G94.1Very high89.7Confident0 Ų042.5 Ų42.50%023%0.227CC..EExtended strand (participates in β ladder)trans166.4-174.1179.700000112.1V74 Y112V74-G87 PolarHBondContact N-O 3.43Å; V74-G87 PolarHBondContact O-N 3.01Å; G87-Y112 CarbonylContact C-O 3.42Å; G87-Y112 WeakPolarHBondContact CA-O 3.41Å
88R94Very high88.6Confident5 Ų540.9 Ų40.92%0.01922%0.221CC..EExtended strand (participates in β ladder)trans-138.5159-167.5-72.5158-159.268.34.5112.4L71 L72 K73 T85 Y90 Y112 E190L71-R88 HydrophobicContact CD1-CB 3.93Å; L71-R88 HydrophobicContact CD1-CG 3.96Å; L72-R88 CarbonylContact O-C 3.58Å; L72-R88 VanDerWaalsContact O-CA 3.24Å; L72-R88 WeakPolarHBondContact O-CA 3.39Å; K73-R88 HydrophobicContact CB-CG 4.44Å; K73-R88 HydrophobicContact CG-CG 4.16Å; T85-R88 VanDerWaalsContact CB-NH2 3.31Å; T85-R88 VanDerWaalsContact CG2-NH2 3.31Å; T85-R88 PolarHBondContact OG1-NH2 3.26Å; R88-Y90 HydrophobicContact CB-CE2 4.32Å; R88-Y112 PolarHBondContact N-O 3.28Å; R88-Y112 PolarHBondContact O-N 2.61Å; R88-E190 IonicContact CZ-OE1 2.71Å; R88-E190 VanDerWaalsContact CZ-OE1 3.27Å; R88-E190 IonicContact CZ-OE2 3.34Å; R88-E190 IonicContact NE-OE1 2.63Å; R88-E190 IonicContact NE-OE2 2.77Å; R88-E190 PolarHBondContact NE-OE2 2.98Å; R88-E190 IonicContact NH2-OE1 3.07Å; R88-E190 PolarHBondContact NH2-OE1 3.43Å; R88-E190 IonicContact NH2-OE2 3.16Å; R88-E190 PolarHBondContact NH2-OE2 3.04Å
89V94.6Very high87.3Confident4 Ų444.3 Ų44.32%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-133.9130.7164.2-168.30000108.4L72 F91 F109 I122L72-V89 PolarHBondContact N-O 3.23Å; L72-V89 PolarHBondContact O-N 3.14Å; V89-F91 HydrophobicContact CB-CE2 3.88Å; V89-F91 HydrophobicContact CB-CZ 4.44Å; V89-F91 HydrophobicContact CG1-CD2 4.1Å; V89-F91 HydrophobicContact CG1-CE1 4.38Å; V89-F91 HydrophobicContact CG1-CE2 3.34Å; V89-F91 HydrophobicContact CG1-CZ 3.51Å; V89-F109 HydrophobicContact CG1-CB 4.01Å; V89-F109 HydrophobicContact CG2-CB 4.33Å; V89-I122 HydrophobicContact CG2-CG2 3.75Å
90Y93Very high86Confident38 Ų3844.3 Ų44.315%0.14925%0.247CC..EExtended strand (participates in β ladder)trans-105.9133.7176.7-65.2-94.8000109.6L71 R88 Q193 H1224L71-Y90 HydrophobicContact CB-CD1 4.39Å; L71-Y90 HydrophobicContact CD1-CD1 3.86Å; L71-Y90 HydrophobicContact CD1-CD2 4.42Å; L71-Y90 HydrophobicContact CD1-CE1 3.72Å; L71-Y90 HydrophobicContact CD1-CE2 4.31Å; L71-Y90 HydrophobicContact CD1-CG 4.22Å; L71-Y90 HydrophobicContact CD2-CE1 4.13Å; L71-Y90 HydrophobicContact CG-CE1 4.36Å; R88-Y90 HydrophobicContact CB-CE2 4.32Å; Y90-Q193 HydrophobicContact CE2-CB 4.43Å; Y90-Q193 WeakPolarHBondContact OH-CB 3.09Å; Y90-Q193 PolarHBondContact OH-OE1 3.47Å; Y90-H1224 PolarHBondContact O-CE1 2.77Å
91F92.1Very high84.9Confident3 Ų335.6 Ų35.61%0.01322%0.215CC..EExtended strand (participates in β ladder)trans-121.4107177.3-70.2-83.3000110.1A69 L70 L72 V89 L93 L105 F109 L124 I126 H1224A69-F91 WeakPolarHBondContact CA-O 3.43Å; A69-F91 WeakPolarHBondContact CB-O 3.35Å; L70-F91 HydrophobicContact CB-CB 4.06Å; L70-F91 HydrophobicContact CD2-CB 4.38Å; L70-F91 HydrophobicContact CG-CB 4.3Å; L70-F91 HydrophobicContact CG-CD2 4.41Å; L70-F91 PolarHBondContact N-O 3.16Å; L70-F91 PolarHBondContact O-N 3.45Å; L72-F91 HydrophobicContact CD1-CD2 3.79Å; L72-F91 HydrophobicContact CD1-CE2 3.85Å; V89-F91 HydrophobicContact CB-CE2 3.88Å; V89-F91 HydrophobicContact CB-CZ 4.44Å; V89-F91 HydrophobicContact CG1-CD2 4.1Å; V89-F91 HydrophobicContact CG1-CE1 4.38Å; V89-F91 HydrophobicContact CG1-CE2 3.34Å; V89-F91 HydrophobicContact CG1-CZ 3.51Å; F91-L93 PolarHBondContact O-N 3.07Å; F91-L105 HydrophobicContact CD1-CD1 4.03Å; F91-L105 HydrophobicContact CD1-CD2 3.94Å; F91-L105 HydrophobicContact CE1-CD1 4.11Å; F91-L105 HydrophobicContact CE1-CD2 3.6Å; F91-L105 HydrophobicContact CZ-CD2 4.42Å; F91-F109 AromaticContact CE1-CD1 3.73Å; F91-F109 HydrophobicContact CE1-CD1 3.73Å; F91-F109 HydrophobicContact CE1-CD2 4.38Å; F91-F109 AromaticContact CE1-CE1 3.52Å; F91-F109 HydrophobicContact CE1-CE1 3.52Å; F91-F109 HydrophobicContact CE1-CE2 4.2Å; F91-F109 HydrophobicContact CE1-CG 4.17Å; F91-F109 AromaticContact CE1-CZ 3.77Å; F91-F109 HydrophobicContact CE1-CZ 3.77Å; F91-F109 HydrophobicContact CZ-CB 4.4Å; F91-F109 AromaticContact CZ-CD1 3.73Å; F91-F109 HydrophobicContact CZ-CD1 3.73Å; F91-F109 AromaticContact CZ-CD2 3.83Å; F91-F109 HydrophobicContact CZ-CD2 3.83Å; F91-F109 AromaticContact CZ-CE1 3.92Å; F91-F109 HydrophobicContact CZ-CE1 3.92Å; F91-F109 HydrophobicContact CZ-CE2 4.01Å; F91-F109 AromaticContact CZ-CG 3.69Å; F91-F109 HydrophobicContact CZ-CG 3.69Å; F91-F109 HydrophobicContact CZ-CZ 4.06Å; F91-L124 HydrophobicContact CE2-CD1 3.63Å; F91-L124 HydrophobicContact CZ-CD1 3.74Å; F91-I126 HydrophobicContact CB-CD1 4.41Å; F91-I126 HydrophobicContact CD1-CD1 3.78Å; F91-I126 HydrophobicContact CD2-CD1 3.74Å; F91-I126 HydrophobicContact CE1-CD1 3.94Å; F91-I126 HydrophobicContact CE2-CD1 3.87Å; F91-I126 HydrophobicContact CG-CD1 3.69Å; F91-I126 HydrophobicContact CZ-CD1 3.97Å; F91-H1224 AromaticContact CD1-CE1 3.44Å; F91-H1224 VanDerWaalsContact CD1-CE1 3.44Å; F91-H1224 WeakPolarHBondContact CD1-CE1 3.28Å; F91-H1224 AromaticContact CD1-ND1 3.85Å; F91-H1224 AromaticContact CE1-CE1 3.32Å; F91-H1224 WeakPolarHBondContact CE1-CE1 3.44Å; F91-H1224 AromaticContact CE1-ND1 3.87Å; F91-H1224 AromaticContact CZ-CE1 3.97Å
92D88.3Confident83.9Confident30 Ų3036.9 Ų36.916%0.1622%0.219CC..  trans-62.8131.9159.3179.717.6000109.1N94 P95 F1191D92-N94 WeakPolarHBondContact OD1-CB 3.37Å; D92-N94 PolarHBondContact OD1-N 3.12Å; D92-N94 PolarHBondContact OD1-ND2 2.69Å; D92-P95 WeakPolarHBondContact OD2-CD 3.29Å; D92-F1191 HydrophobicContact CB-CE1 4.04Å
93L88.8Confident83.5Confident2 Ų235.8 Ų35.81%0.0120%0.196CC..  trans-92.9-20.8-179.4-60.9177.8000111.9V5 I33 L65 L70 F91 P95 L96 L97 V128V5-L93 HydrophobicContact CG1-CD2 4.32Å; V5-L93 HydrophobicContact CG2-CD1 3.87Å; I33-L93 HydrophobicContact CD1-CD1 4.48Å; L65-L93 HydrophobicContact CD1-CD1 4.23Å; L70-L93 HydrophobicContact CB-CD2 4.14Å; L70-L93 HydrophobicContact CB-CG 4.48Å; L70-L93 HydrophobicContact CD2-CD2 4.49Å; F91-L93 PolarHBondContact O-N 3.07Å; L93-P95 VanDerWaalsContact C-CD 3.49Å; L93-L96 WeakPolarHBondContact O-CB 3.47Å; L93-L96 PolarHBondContact O-N 3.03Å; L93-L97 WeakPolarHBondContact O-CG 3.45Å; L93-L97 PolarHBondContact O-N 3.35Å; L93-V128 HydrophobicContact CD2-CG2 4.45Å
94N87.4Confident83.3Confident19 Ų1935 Ų3510%0.10220%0.198CC..G310 helixtrans-53.9-39.2-173.6-72.7-77.9000114.3Q66 D92 L96 L97Q66-N94 PolarHBondContact NE2-OD1 3.44Å; Q66-N94 VanDerWaalsContact NE2-OD1 3.11Å; Q66-N94 PolarHBondContact O-ND2 2.93Å; D92-N94 WeakPolarHBondContact OD1-CB 3.37Å; D92-N94 PolarHBondContact OD1-N 3.12Å; D92-N94 PolarHBondContact OD1-ND2 2.69Å; N94-L96 VanDerWaalsContact C-N 3.32Å; N94-L96 PolarHBondContact O-N 3.14Å; N94-L97 WeakPolarHBondContact O-CB 3.37Å; N94-L97 PolarHBondContact O-N 3.42Å; N94-L97 VanDerWaalsContact O-N 3.12Å
95P84Confident83.2Confident7 Ų731.2 Ų31.25%0.04518%0.178CC..G310 helixtrans-55.8-42.9171.9-28.336.5000113.2D92 L93 L97 S98 Q101 L1228 M1262D92-P95 WeakPolarHBondContact OD2-CD 3.29Å; L93-P95 VanDerWaalsContact C-CD 3.49Å; P95-L97 PolarHBondContact O-N 3.29Å; P95-L97 VanDerWaalsContact O-N 3.16Å; P95-S98 WeakPolarHBondContact O-CB 3.38Å; P95-S98 PolarHBondContact O-N 3.48Å; P95-Q101 PolarHBondContact O-OE1 3.04Å; P95-Q101 VanDerWaalsContact O-OE1 3.04Å; P95-L1228 HydrophobicContact CB-CD1 4.09Å; P95-M1262 HydrophobicContact CB-CE 4.09Å; P95-M1262 HydrophobicContact CG-CE 3.73Å
96L82.9Confident83.1Confident5 Ų535 Ų353%0.02620%0.197CC..G310 helixtrans-70.4-10.7-179-62.1177000113.7L93 N94 R103 L105 I126 V128 L1228L93-L96 WeakPolarHBondContact O-CB 3.47Å; L93-L96 PolarHBondContact O-N 3.03Å; N94-L96 VanDerWaalsContact C-N 3.32Å; N94-L96 PolarHBondContact O-N 3.14Å; L96-R103 WeakPolarHBondContact O-CG 3.4Å; L96-L105 HydrophobicContact CD1-CB 4.21Å; L96-L105 HydrophobicContact CD2-CB 4.21Å; L96-I126 HydrophobicContact CD1-CG2 4.11Å; L96-V128 HydrophobicContact CB-CB 4.48Å; L96-V128 HydrophobicContact CB-CG2 3.94Å; L96-V128 HydrophobicContact CD1-CG2 3.85Å; L96-L1228 HydrophobicContact CD2-CD2 3.48Å; L96-L1228 VanDerWaalsContact CD2-CD2 3.48Å; L96-L1228 HydrophobicContact CG-CD2 4.28Å
97L79.5Confident83.1Confident11 Ų1135.9 Ų35.96%0.05821%0.207CC..G310 helixtrans-84.3-12.8178.1-52.4-178000113L65 Q66 L93 N94 P95 R99 V128 V130 L142L65-L97 HydrophobicContact CD1-CD2 4.04Å; L65-L97 HydrophobicContact CD2-CD2 3.87Å; L65-L97 HydrophobicContact CG-CD1 4.21Å; L65-L97 HydrophobicContact CG-CD2 3.81Å; Q66-L97 HydrophobicContact CG-CD1 3.74Å; L93-L97 WeakPolarHBondContact O-CG 3.45Å; L93-L97 PolarHBondContact O-N 3.35Å; N94-L97 WeakPolarHBondContact O-CB 3.37Å; N94-L97 PolarHBondContact O-N 3.42Å; N94-L97 VanDerWaalsContact O-N 3.12Å; P95-L97 PolarHBondContact O-N 3.29Å; P95-L97 VanDerWaalsContact O-N 3.16Å; L97-R99 PolarHBondContact O-N 2.95Å; L97-V128 HydrophobicContact CD2-CG1 4.01Å; L97-V130 HydrophobicContact CD2-CG2 3.69Å; L97-L142 HydrophobicContact CB-CD2 3.62Å; L97-L142 HydrophobicContact CD1-CD2 3.82Å; L97-L142 HydrophobicContact CD2-CD2 4.32Å; L97-L142 HydrophobicContact CG-CD2 4.11Å
98S71Confident83.1Confident12 Ų1240 Ų408%0.08422%0.223CC..SBendtrans-64.4131.1-174-117.30000113.4P95 G100 Q101P95-S98 WeakPolarHBondContact O-CB 3.38Å; P95-S98 PolarHBondContact O-N 3.48Å; S98-G100 PolarHBondContact O-N 2.82Å; S98-Q101 VanDerWaalsContact CB-CD 3.44Å; S98-Q101 PolarHBondContact O-N 3.17Å
99R64.4Low83.1Confident130 Ų13039.8 Ų39.849%0.49122%0.222SC..THydrogen-bonded Turntrans-65121.7179.7-60.2-173.5-169.8-158.83.5110.6L97 L142 R145L97-R99 PolarHBondContact O-N 2.95Å; R99-L142 PolarHBondContact NE-O 3.41Å; R99-L142 VanDerWaalsContact NE-O 3.13Å; R99-L142 PolarHBondContact NH2-O 2.88Å; R99-R145 PolarHBondContact O-NH2 3.2Å
100G61.9Low83.2Confident88 Ų8840 Ų4091%0.90722%0.224SC*.THydrogen-bonded Turntrans96.84.3173.900000116.3S98S98-G100 PolarHBondContact O-N 2.82Å
101Q64.4Low83.3Confident47 Ų4738.2 Ų38.222%0.2222%0.217CC..SBendtrans-101.1170.5174.9-70.5168.9-6.200112.2P95 S98 R103 Y1185 L1186P95-Q101 PolarHBondContact O-OE1 3.04Å; P95-Q101 VanDerWaalsContact O-OE1 3.04Å; S98-Q101 VanDerWaalsContact CB-CD 3.44Å; S98-Q101 PolarHBondContact O-N 3.17Å; Q101-R103 PolarHBondContact O-N 3.28Å; Q101-Y1185 PolarHBondContact NE2-O 3.17Å; Q101-L1186 VanDerWaalsContact NE2-C 3.27Å; Q101-L1186 VanDerWaalsContact NE2-CA 3.29Å; Q101-L1186 PolarHBondContact NE2-O 2.72Å; Q101-L1186 PolarHBondContact OE1-O 2.99Å
102T66.3Low83.4Confident95 Ų9538.7 Ų38.758%0.58322%0.218SC*.  trans-67.7110.2167.341.40000110.1C104T102-C104 PolarHBondContact O-N 3.21Å
103R80.8Confident83.6Confident67 Ų6737.3 Ų37.325%0.25321%0.211SC..SBendtrans-74.433.5173-52.6-172.6175169.9-15.3113.3L96 Q101 R127 V128 V130L96-R103 WeakPolarHBondContact O-CG 3.4Å; Q101-R103 PolarHBondContact O-N 3.28Å; R103-R127 CarbonylContact O-C 3.47Å; R103-R127 VanDerWaalsContact O-CA 3.29Å; R103-R127 WeakPolarHBondContact O-CA 3.5Å; R103-V128 WeakPolarHBondContact CB-O 3.38Å; R103-V128 WeakPolarHBondContact CD-O 3.36Å; R103-V128 PolarHBondContact O-N 3.34Å; R103-V130 VanDerWaalsContact NH1-N 3.18Å; R103-V130 PolarHBondContact NH1-O 3.4Å; R103-V130 PolarHBondContact NH2-O 2.82Å
104C86.3Confident83.6Confident54 Ų5437.3 Ų37.337%0.36521%0.211SC..EExtended strand (participates in β ladder)trans-135.2142.3-177.7-61.90000109.1T102 I126T102-C104 PolarHBondContact O-N 3.21Å; C104-I126 CarbonylContact C-O 3.55Å; C104-I126 VanDerWaalsContact CA-O 3.28Å; C104-I126 WeakPolarHBondContact CA-O 3.39Å
105L87.9Confident83.6Confident8 Ų838.1 Ų38.14%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-132.6133.3176.3162149.9000107.5F91 L96 F109 A125 I126 S1227 L1228F91-L105 HydrophobicContact CD1-CD1 4.03Å; F91-L105 HydrophobicContact CD1-CD2 3.94Å; F91-L105 HydrophobicContact CE1-CD1 4.11Å; F91-L105 HydrophobicContact CE1-CD2 3.6Å; F91-L105 HydrophobicContact CZ-CD2 4.42Å; L96-L105 HydrophobicContact CD1-CB 4.21Å; L96-L105 HydrophobicContact CD2-CB 4.21Å; L105-F109 HydrophobicContact CD1-CZ 4.43Å; L105-F109 HydrophobicContact CD2-CE1 4.27Å; L105-F109 HydrophobicContact CD2-CE2 4.12Å; L105-F109 HydrophobicContact CD2-CZ 3.51Å; L105-F109 HydrophobicContact CG-CZ 3.99Å; L105-A125 WeakPolarHBondContact O-CA 3.35Å; L105-I126 HydrophobicContact CD2-CB 3.92Å; L105-I126 HydrophobicContact CD2-CD1 3.66Å; L105-I126 HydrophobicContact CD2-CG1 4.17Å; L105-I126 PolarHBondContact N-O 2.95Å; L105-I126 PolarHBondContact O-N 2.97Å; L105-S1227 VanDerWaalsContact CD1-OG 3.25Å; L105-S1227 WeakPolarHBondContact CD1-OG 3.46Å; L105-S1227 WeakPolarHBondContact CG-OG 3.35Å; L105-L1228 HydrophobicContact CB-CD2 4.03Å; L105-L1228 HydrophobicContact CD1-CD2 3.9Å; L105-L1228 HydrophobicContact CD1-CG 4.14Å; L105-L1228 HydrophobicContact CG-CD2 4.45Å
106N90.4Very high83.9Confident107 Ų10742.3 Ų42.357%0.57223%0.233SC*.EExtended strand (participates in β ladder)trans-152138.7-179.162.7-89.3000112.1L124 A125 S1227N106-L124 WeakPolarHBondContact CA-O 3.42Å; N106-A125 HydrophobicContact CB-CB 4.31Å; N106-S1227 PolarHBondContact N-O 3.39Å
107G92.2Very high84.3Confident22 Ų2242 Ų4223%0.22723%0.232CC..EExtended strand (participates in β ladder)trans163.5-171-178.600000114F109 C123 L124G107-F109 WeakPolarHBondContact O-CD2 3.4Å; G107-F109 VanDerWaalsContact O-CE2 3.25Å; G107-F109 WeakPolarHBondContact O-CE2 3.41Å; G107-C123 WeakPolarHBondContact O-CA 3.43Å; G107-L124 PolarHBondContact N-O 3.31Å; G107-L124 PolarHBondContact O-N 3.35Å
108W94.1Very high85Confident86 Ų8644.5 Ų44.533%0.32625%0.245SC..EExtended strand (participates in β ladder)trans-95.1134.7167.5-70.191.6000109.3S11 R13 E121 I122 C123S11-W108 WeakPolarHBondContact OG-CH2 3.24Å; R13-W108 HydrophobicContact CB-CH2 4.09Å; R13-W108 HydrophobicContact CB-CZ3 3.87Å; R13-W108 HydrophobicContact CG-CE3 3.93Å; R13-W108 HydrophobicContact CG-CH2 3.97Å; R13-W108 HydrophobicContact CG-CZ3 3.47Å; R13-W108 VanDerWaalsContact CG-CZ3 3.47Å; W108-E121 HydrophobicContact CE3-CB 3.89Å; W108-I122 CarbonylContact C-O 3.53Å; W108-I122 WeakPolarHBondContact CA-O 3.5Å; W108-C123 HydrophobicContact CD2-CB 3.8Å; W108-C123 HydrophobicContact CE3-CB 3.72Å; W108-C123 HydrophobicContact CH2-CB 3.74Å; W108-C123 HydrophobicContact CZ2-CB 3.81Å; W108-C123 HydrophobicContact CZ3-CB 3.69Å
109F94.9Very high86.1Confident0 Ų047.3 Ų47.30%025%0.253CS..EExtended strand (participates in β ladder)trans-124.8127.9-177.4-60.1-83000109.9V89 F91 L105 G107 I111 E121 I122 L124 H1224 S1227V89-F109 HydrophobicContact CG1-CB 4.01Å; V89-F109 HydrophobicContact CG2-CB 4.33Å; F91-F109 AromaticContact CE1-CD1 3.73Å; F91-F109 HydrophobicContact CE1-CD1 3.73Å; F91-F109 HydrophobicContact CE1-CD2 4.38Å; F91-F109 AromaticContact CE1-CE1 3.52Å; F91-F109 HydrophobicContact CE1-CE1 3.52Å; F91-F109 HydrophobicContact CE1-CE2 4.2Å; F91-F109 HydrophobicContact CE1-CG 4.17Å; F91-F109 AromaticContact CE1-CZ 3.77Å; F91-F109 HydrophobicContact CE1-CZ 3.77Å; F91-F109 HydrophobicContact CZ-CB 4.4Å; F91-F109 AromaticContact CZ-CD1 3.73Å; F91-F109 HydrophobicContact CZ-CD1 3.73Å; F91-F109 AromaticContact CZ-CD2 3.83Å; F91-F109 HydrophobicContact CZ-CD2 3.83Å; F91-F109 AromaticContact CZ-CE1 3.92Å; F91-F109 HydrophobicContact CZ-CE1 3.92Å; F91-F109 HydrophobicContact CZ-CE2 4.01Å; F91-F109 AromaticContact CZ-CG 3.69Å; F91-F109 HydrophobicContact CZ-CG 3.69Å; F91-F109 HydrophobicContact CZ-CZ 4.06Å; L105-F109 HydrophobicContact CD1-CZ 4.43Å; L105-F109 HydrophobicContact CD2-CE1 4.27Å; L105-F109 HydrophobicContact CD2-CE2 4.12Å; L105-F109 HydrophobicContact CD2-CZ 3.51Å; L105-F109 HydrophobicContact CG-CZ 3.99Å; G107-F109 WeakPolarHBondContact O-CD2 3.4Å; G107-F109 VanDerWaalsContact O-CE2 3.25Å; G107-F109 WeakPolarHBondContact O-CE2 3.41Å; F109-I111 PolarHBondContact O-N 3.45Å; F109-E121 CarbonylContact O-C 3.58Å; F109-E121 WeakPolarHBondContact O-CA 3.37Å; F109-I122 HydrophobicContact CB-CG2 4.14Å; F109-I122 PolarHBondContact N-O 2.93Å; F109-I122 PolarHBondContact O-N 3.38Å; F109-L124 HydrophobicContact CD2-CB 4.12Å; F109-L124 HydrophobicContact CD2-CD1 4.07Å; F109-L124 HydrophobicContact CD2-CG 4.26Å; F109-L124 HydrophobicContact CE2-CB 4Å; F109-H1224 AromaticContact CD1-CD2 3.94Å; F109-H1224 AromaticContact CD1-NE2 3.76Å; F109-S1227 VanDerWaalsContact CE1-CB 3.47Å; F109-S1227 VanDerWaalsContact CE1-OG 3.27Å; F109-S1227 WeakPolarHBondContact CE1-OG 3.39Å; F109-S1227 WeakPolarHBondContact CZ-OG 3.2Å
110P95.8Very high87.5Confident10 Ų1041.6 Ų41.67%0.06524%0.235CC..EExtended strand (participates in β ladder)trans-61.3128.1174.1-20.431.8000110.8I118 V1220 A1223P110-I118 HydrophobicContact CB-CD1 4.01Å; P110-I118 HydrophobicContact CB-CG1 4.09Å; P110-I118 HydrophobicContact CB-CG2 3.98Å; P110-V1220 HydrophobicContact CB-CG2 4.08Å; P110-V1220 HydrophobicContact CG-CG2 4.37Å; P110-A1223 HydrophobicContact CG-CB 4.28Å
111I96.2Very high89.1Confident0 Ų039.8 Ų39.80%020%0.203CC..EExtended strand (participates in β ladder)trans-78.9120.3175.4-61.1163000107A12 L15 V74 F109 I118 R119 G120 I122A12-I111 HydrophobicContact CB-CD1 4.49Å; L15-I111 HydrophobicContact CD2-CD1 3.39Å; V74-I111 HydrophobicContact CB-CG2 4.35Å; V74-I111 HydrophobicContact CG2-CD1 3.99Å; V74-I111 HydrophobicContact CG2-CG1 4.12Å; V74-I111 HydrophobicContact CG2-CG2 4.12Å; F109-I111 PolarHBondContact O-N 3.45Å; I111-I118 CarbonylContact O-C 3.5Å; I111-I118 WeakPolarHBondContact O-CA 3.4Å; I111-R119 HydrophobicContact CG2-CB 4.37Å; I111-R119 PolarHBondContact O-N 3.4Å; I111-G120 PolarHBondContact N-O 2.89Å; I111-I122 HydrophobicContact CD1-CB 4.12Å; I111-I122 HydrophobicContact CG1-CB 4.04Å; I111-I122 HydrophobicContact CG1-CG2 4.02Å
112Y93.7Very high90.7Very high12 Ų1237.6 Ų37.65%0.04719%0.193CC..EExtended strand (participates in β ladder)trans-109135.2-173.4-169.3-96.1000112.5G87 R88 I118 F1193 R1195 E1216 V1220G87-Y112 CarbonylContact C-O 3.42Å; G87-Y112 WeakPolarHBondContact CA-O 3.41Å; R88-Y112 PolarHBondContact N-O 3.28Å; R88-Y112 PolarHBondContact O-N 2.61Å; Y112-I118 HydrophobicContact CD2-CG1 4.46Å; Y112-F1193 HydrophobicContact CD1-CD1 4.19Å; Y112-F1193 AromaticContact CE1-CD1 3.87Å; Y112-F1193 HydrophobicContact CE1-CD1 3.87Å; Y112-F1193 HydrophobicContact CE2-CD1 4.28Å; Y112-F1193 AromaticContact CZ-CD1 3.89Å; Y112-R1195 VanDerWaalsContact OH-CD 3.31Å; Y112-R1195 WeakPolarHBondContact OH-CD 3.26Å; Y112-E1216 HydrophobicContact CE2-CB 4.04Å; Y112-V1220 HydrophobicContact CD2-CG2 4.34Å
113D92.8Very high92.1Very high2 Ų233.9 Ų33.91%0.01117%0.171CC..EExtended strand (participates in β ladder)trans-127.2131.3177.5179.333000110.6M115 H116 G117 R119 R186D113-M115 VanDerWaalsContact C-N 3.26Å; D113-M115 PolarHBondContact O-N 2.96Å; D113-H116 PolarHBondContact O-N 3.28Å; D113-H116 IonicContact OD2-CE1 4Å; D113-H116 IonicContact OD2-CG 2.87Å; D113-H116 IonicContact OD2-ND1 3.32Å; D113-H116 PolarHBondContact OD2-ND1 3.44Å; D113-G117 PolarHBondContact N-O 3Å; D113-G117 WeakPolarHBondContact O-CA 3.38Å; D113-G117 PolarHBondContact O-N 3.13Å; D113-R119 HydrophobicContact CB-CG 3.91Å; D113-R186 VanDerWaalsContact CG-NH2 3.26Å; D113-R186 IonicContact OD1-CZ 3.5Å; D113-R186 IonicContact OD1-NE 2.8Å; D113-R186 IonicContact OD1-NH1 3.71Å; D113-R186 PolarHBondContact OD1-NH1 2.98Å; D113-R186 IonicContact OD1-NH2 3.13Å; D113-R186 PolarHBondContact OD1-NH2 2.79Å; D113-R186 VanDerWaalsContact OD1-NH2 3.07Å; D113-R186 IonicContact OD2-CZ 3.25Å; D113-R186 IonicContact OD2-NH1 2.67Å; D113-R186 IonicContact OD2-NH2 2.75Å; D113-R186 PolarHBondContact OD2-NH2 2.89Å
114T89.7Confident92.8Very high2 Ų230.7 Ų30.71%0.01216%0.159CC..THydrogen-bonded Turntrans-61.5-35.1-171.8580000112.1N189 V1194 R1195 E1196T114-N189 HydrophobicContact CG2-CB 3.92Å; T114-V1194 WeakPolarHBondContact CA-O 2.96Å; T114-V1194 WeakPolarHBondContact CB-O 3.01Å; T114-V1194 WeakPolarHBondContact CG2-O 3.49Å; T114-R1195 CarbonylContact O-C 3.48Å; T114-R1195 WeakPolarHBondContact O-CA 3.4Å; T114-R1195 WeakPolarHBondContact O-CD 3.37Å; T114-R1195 PolarHBondContact O-NH1 3.14Å; T114-R1195 VanDerWaalsContact O-NH1 3.14Å; T114-E1196 PolarHBondContact O-N 3.39Å
115M87Confident93.2Very high35 Ų3529 Ų2917%0.17215%0.148CC..THydrogen-bonded Turntrans-82.4-26.8179.4-57.9-54.4-51.800114.5D113 R186 R1195 E1196 T1198D113-M115 VanDerWaalsContact C-N 3.26Å; D113-M115 PolarHBondContact O-N 2.96Å; M115-R186 HydrophobicContact CG-CB 4.49Å; M115-R1195 PolarHBondContact O-NH1 2.85Å; M115-E1196 WeakPolarHBondContact CA-O 3.28Å; M115-E1196 HydrophobicContact CE-CB 4.04Å; M115-E1196 HydrophobicContact CE-CG 3.8Å; M115-E1196 HydrophobicContact SD-CB 3.81Å; M115-E1196 HydrophobicContact SD-CG 4.01Å; M115-T1198 HydrophobicContact CE-CG2 4.49Å
116H89.9Confident93.5Very high95 Ų9528.7 Ų28.744%0.4415%0.147SC..THydrogen-bonded Turntrans-129.9-4.6-166.6-57.3112000115.7D113 R119 R186 R1195D113-H116 PolarHBondContact O-N 3.28Å; D113-H116 IonicContact OD2-CE1 4Å; D113-H116 IonicContact OD2-CG 2.87Å; D113-H116 IonicContact OD2-ND1 3.32Å; D113-H116 PolarHBondContact OD2-ND1 3.44Å; H116-R119 HydrophobicContact CB-CG 4.47Å; H116-R119 PolarHBondContact CD2-NH2 2.97Å; H116-R119 PolarHBondContact CE1-NH2 3.16Å; H116-R119 PolarHBondContact ND1-NH2 3.48Å; H116-R119 PolarHBondContact NE2-NH2 3.42Å; H116-R186 PolarHBondContact ND1-NH2 2.82Å; H116-R1195 PolarHBondContact O-NH2 2.83Å
117G91.2Very high93.5Very high0 Ų028.8 Ų28.80%014%0.139CC..EExtended strand (participates in β ladder)trans77.6-136.5-178.600000112.3D113 E1216D113-G117 PolarHBondContact N-O 3Å; D113-G117 WeakPolarHBondContact O-CA 3.38Å; D113-G117 PolarHBondContact O-N 3.13Å; G117-E1216 VanDerWaalsContact CA-CD 3.45Å; G117-E1216 WeakPolarHBondContact CA-OE1 3.34Å; G117-E1216 VanDerWaalsContact CA-OE2 3.22Å; G117-E1216 WeakPolarHBondContact CA-OE2 3.25Å
118I93.5Very high93.4Very high63 Ų6327.8 Ų27.832%0.32313%0.128SC..EExtended strand (participates in β ladder)trans-77.2127.7-175.7-64.7171.3000111.3P110 I111 Y112 E1216 A1219P110-I118 HydrophobicContact CB-CD1 4.01Å; P110-I118 HydrophobicContact CB-CG1 4.09Å; P110-I118 HydrophobicContact CB-CG2 3.98Å; I111-I118 CarbonylContact O-C 3.5Å; I111-I118 WeakPolarHBondContact O-CA 3.4Å; Y112-I118 HydrophobicContact CD2-CG1 4.46Å; I118-E1216 HydrophobicContact CD1-CB 4.14Å; I118-E1216 HydrophobicContact CD1-CG 4.35Å; I118-E1216 HydrophobicContact CG1-CB 4.23Å; I118-E1216 HydrophobicContact CG1-CG 4.3Å; I118-A1219 HydrophobicContact CD1-CB 4.07Å
119R94.5Very high93Very high70 Ų7025 Ų2526%0.26412%0.12SC..EExtended strand (participates in β ladder)trans-120.745.2-175.7-66.7-56.5-142.4172.13112.7P16 I86 I111 D113 H116P16-R119 WeakPolarHBondContact CD-O 3.24Å; P16-R119 HydrophobicContact CG-CB 4.25Å; I86-R119 HydrophobicContact CG2-CB 4.1Å; I86-R119 WeakPolarHBondContact O-CG 3.41Å; I111-R119 HydrophobicContact CG2-CB 4.37Å; I111-R119 PolarHBondContact O-N 3.4Å; D113-R119 HydrophobicContact CB-CG 3.91Å; H116-R119 HydrophobicContact CB-CG 4.47Å; H116-R119 PolarHBondContact CD2-NH2 2.97Å; H116-R119 PolarHBondContact CE1-NH2 3.16Å; H116-R119 PolarHBondContact ND1-NH2 3.48Å; H116-R119 PolarHBondContact NE2-NH2 3.42Å
120G94.4Very high92.2Very high11 Ų1125.4 Ų25.411%0.11312%0.122CC..EExtended strand (participates in β ladder)trans94.5-164.6-17600000112.7R13 N14 I111R13-G120 WeakPolarHBondContact O-CA 3.29Å; N14-G120 VanDerWaalsContact O-CA 3.23Å; N14-G120 WeakPolarHBondContact O-CA 3.46Å; I111-G120 PolarHBondContact N-O 2.89Å
121E96.3Very high91.1Very high50 Ų5030.8 Ų30.823%0.23415%0.145CC..EExtended strand (participates in β ladder)trans-136145.5-177.8-63.2165.810400111.8A12 R13 W108 F109A12-E121 CarbonylContact C-O 3.54Å; A12-E121 WeakPolarHBondContact CA-O 3.41Å; A12-E121 WeakPolarHBondContact CB-O 3.41Å; R13-E121 HydrophobicContact CG-CB 4.21Å; R13-E121 IonicContact CZ-OE2 3.82Å; R13-E121 PolarHBondContact N-O 3.33Å; R13-E121 IonicContact NE-OE2 3.8Å; R13-E121 PolarHBondContact NE-OE2 3.03Å; R13-E121 VanDerWaalsContact NH2-CD 3.26Å; R13-E121 IonicContact NH2-OE1 3.48Å; R13-E121 PolarHBondContact NH2-OE1 3.42Å; R13-E121 IonicContact NH2-OE2 2.71Å; R13-E121 PolarHBondContact NH2-OE2 3.27Å; R13-E121 PolarHBondContact O-N 3.35Å; W108-E121 HydrophobicContact CE3-CB 3.89Å; F109-E121 CarbonylContact O-C 3.58Å; F109-E121 WeakPolarHBondContact O-CA 3.37Å
122I96.7Very high89.5Confident0 Ų035 Ų350%017%0.167CC..EExtended strand (participates in β ladder)trans-114.6135.5176.1-169.3170.2000111.2V9 A12 V29 V74 V89 W108 F109 I111 L124V9-I122 HydrophobicContact CG1-CD1 4.2Å; A12-I122 HydrophobicContact CB-CB 4.37Å; A12-I122 HydrophobicContact CB-CG1 4.35Å; V29-I122 HydrophobicContact CG1-CD1 4.18Å; V29-I122 HydrophobicContact CG2-CD1 3.87Å; V74-I122 HydrophobicContact CG2-CD1 4.06Å; V89-I122 HydrophobicContact CG2-CG2 3.75Å; W108-I122 CarbonylContact C-O 3.53Å; W108-I122 WeakPolarHBondContact CA-O 3.5Å; F109-I122 HydrophobicContact CB-CG2 4.14Å; F109-I122 PolarHBondContact N-O 2.93Å; F109-I122 PolarHBondContact O-N 3.38Å; I111-I122 HydrophobicContact CD1-CB 4.12Å; I111-I122 HydrophobicContact CG1-CB 4.04Å; I111-I122 HydrophobicContact CG1-CG2 4.02Å; I122-L124 HydrophobicContact CD1-CD2 3.82Å; I122-L124 HydrophobicContact CD1-CG 4.37Å; I122-L124 HydrophobicContact CG1-CD2 3.84Å; I122-L124 HydrophobicContact CG1-CG 4.04Å; I122-L124 HydrophobicContact CG2-CD1 3.95Å; I122-L124 HydrophobicContact CG2-CG 4.16Å
123C96.6Very high87.7Confident17 Ų1738.4 Ų38.412%0.11519%0.186CC..EExtended strand (participates in β ladder)trans-96.7118.7177.7-170.90000110.1I10 S11 G107 W108I10-C123 HydrophobicContact CB-CB 4.2Å; I10-C123 WeakPolarHBondContact CB-O 3.47Å; I10-C123 PolarHBondContact N-O 3.18Å; S11-C123 PolarHBondContact O-N 3.08Å; G107-C123 WeakPolarHBondContact O-CA 3.43Å; W108-C123 HydrophobicContact CD2-CB 3.8Å; W108-C123 HydrophobicContact CE3-CB 3.72Å; W108-C123 HydrophobicContact CH2-CB 3.74Å; W108-C123 HydrophobicContact CZ2-CB 3.81Å; W108-C123 HydrophobicContact CZ3-CB 3.69Å
124L95.3Very high85.8Confident1 Ų143.3 Ų43.31%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-133.3155.1-171.5-60.1173.9000111.8V9 L72 F91 N106 G107 F109 I122V9-L124 HydrophobicContact CB-CD2 4.25Å; V9-L124 HydrophobicContact CG1-CD2 4.11Å; V9-L124 HydrophobicContact CG2-CD2 4.03Å; L72-L124 HydrophobicContact CD1-CD1 4.32Å; L72-L124 HydrophobicContact CD2-CD1 3.78Å; L72-L124 HydrophobicContact CD2-CD2 3.7Å; L72-L124 HydrophobicContact CD2-CG 4.42Å; F91-L124 HydrophobicContact CE2-CD1 3.63Å; F91-L124 HydrophobicContact CZ-CD1 3.74Å; N106-L124 WeakPolarHBondContact CA-O 3.42Å; G107-L124 PolarHBondContact N-O 3.31Å; G107-L124 PolarHBondContact O-N 3.35Å; F109-L124 HydrophobicContact CD2-CB 4.12Å; F109-L124 HydrophobicContact CD2-CD1 4.07Å; F109-L124 HydrophobicContact CD2-CG 4.26Å; F109-L124 HydrophobicContact CE2-CB 4Å; I122-L124 HydrophobicContact CD1-CD2 3.82Å; I122-L124 HydrophobicContact CD1-CG 4.37Å; I122-L124 HydrophobicContact CG1-CD2 3.84Å; I122-L124 HydrophobicContact CG1-CG 4.04Å; I122-L124 HydrophobicContact CG2-CD1 3.95Å; I122-L124 HydrophobicContact CG2-CG 4.16Å
125A94.4Very high83.9Confident17 Ų1745.9 Ų45.914%0.1425%0.245CC..EExtended strand (participates in β ladder)trans-128.8127.8160.100000109.8R8 W55 L105 N106R8-A125 HydrophobicContact CB-CB 4.39Å; R8-A125 PolarHBondContact N-O 2.87Å; R8-A125 PolarHBondContact O-N 3.33Å; W55-A125 HydrophobicContact CH2-CB 3.94Å; W55-A125 HydrophobicContact CZ3-CB 4.43Å; W55-A125 WeakPolarHBondContact CZ3-O 3.27Å; L105-A125 WeakPolarHBondContact O-CA 3.35Å; N106-A125 HydrophobicContact CB-CB 4.31Å
126I93.9Very high82.1Confident3 Ų355.7 Ų55.72%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-121.1139.7178.7-68.6159.8000108V5 K6 V7 L70 F91 L96 C104 L105V5-I126 HydrophobicContact CG1-CG2 4.44Å; K6-I126 CarbonylContact O-C 3.55Å; K6-I126 WeakPolarHBondContact O-CA 3.25Å; V7-I126 HydrophobicContact CB-CG1 4.42Å; V7-I126 HydrophobicContact CG1-CG1 3.78Å; V7-I126 HydrophobicContact CG2-CG1 4.21Å; L70-I126 HydrophobicContact CD2-CD1 3.6Å; L70-I126 HydrophobicContact CD2-CG1 3.93Å; L70-I126 HydrophobicContact CD2-CG2 4.22Å; F91-I126 HydrophobicContact CB-CD1 4.41Å; F91-I126 HydrophobicContact CD1-CD1 3.78Å; F91-I126 HydrophobicContact CD2-CD1 3.74Å; F91-I126 HydrophobicContact CE1-CD1 3.94Å; F91-I126 HydrophobicContact CE2-CD1 3.87Å; F91-I126 HydrophobicContact CG-CD1 3.69Å; F91-I126 HydrophobicContact CZ-CD1 3.97Å; L96-I126 HydrophobicContact CD1-CG2 4.11Å; C104-I126 CarbonylContact C-O 3.55Å; C104-I126 VanDerWaalsContact CA-O 3.28Å; C104-I126 WeakPolarHBondContact CA-O 3.39Å; L105-I126 HydrophobicContact CD2-CB 3.92Å; L105-I126 HydrophobicContact CD2-CD1 3.66Å; L105-I126 HydrophobicContact CD2-CG1 4.17Å; L105-I126 PolarHBondContact N-O 2.95Å; L105-I126 PolarHBondContact O-N 2.97Å
127R91.2Very high80.2Confident109 Ų10961.2 Ų61.241%0.41130%0.298SS..EExtended strand (participates in β ladder)trans-138.9140.1175.9170.5175.8170.3166-0.4110.3K6 W55 R103 D129K6-R127 HydrophobicContact CB-CB 4.44Å; K6-R127 PolarHBondContact N-O 3.43Å; K6-R127 PolarHBondContact O-N 2.82Å; W55-R127 HydrophobicContact CH2-CB 4.45Å; W55-R127 HydrophobicContact CZ3-CB 4.28Å; R103-R127 CarbonylContact O-C 3.47Å; R103-R127 VanDerWaalsContact O-CA 3.29Å; R103-R127 WeakPolarHBondContact O-CA 3.5Å; R127-D129 IonicContact CZ-OD1 3.48Å; R127-D129 VanDerWaalsContact CZ-OD1 3.24Å; R127-D129 IonicContact CZ-OD2 2.69Å; R127-D129 VanDerWaalsContact NE-CG 3.35Å; R127-D129 IonicContact NE-OD1 3.51Å; R127-D129 PolarHBondContact NE-OD1 3Å; R127-D129 IonicContact NE-OD2 3.27Å; R127-D129 PolarHBondContact NE-OD2 3.41Å; R127-D129 VanDerWaalsContact NE-OD2 3.11Å; R127-D129 IonicContact NH2-OD1 3.18Å; R127-D129 PolarHBondContact NH2-OD1 3.48Å; R127-D129 IonicContact NH2-OD2 3.67Å; R127-D129 PolarHBondContact NH2-OD2 3.06Å
128V89.1Confident78.7Confident0 Ų065.5 Ų65.50%032%0.318CS..EExtended strand (participates in β ladder)trans-117120.6174.7-169.80000110.2V5 L65 L93 L96 L97 R103 V130V5-V128 HydrophobicContact CG1-CG2 4.45Å; V5-V128 HydrophobicContact CG2-CG1 4.27Å; V5-V128 HydrophobicContact CG2-CG2 4.34Å; L65-V128 HydrophobicContact CD1-CG1 4.05Å; L93-V128 HydrophobicContact CD2-CG2 4.45Å; L96-V128 HydrophobicContact CB-CB 4.48Å; L96-V128 HydrophobicContact CB-CG2 3.94Å; L96-V128 HydrophobicContact CD1-CG2 3.85Å; L97-V128 HydrophobicContact CD2-CG1 4.01Å; R103-V128 WeakPolarHBondContact CB-O 3.38Å; R103-V128 WeakPolarHBondContact CD-O 3.36Å; R103-V128 PolarHBondContact O-N 3.34Å; V128-V130 HydrophobicContact CG1-CG2 3.58Å
129D85.6Confident77.3Confident29 Ų2968.5 Ų68.516%0.15533%0.331CS..EExtended strand (participates in β ladder)trans-105.689.1172.3-69.5-45000109.2T4 K6 R127T4-D129 PolarHBondContact N-O 2.68Å; T4-D129 PolarHBondContact O-N 3.33Å; K6-D129 IonicContact NZ-OD2 3.55Å; K6-D129 PolarHBondContact NZ-OD2 2.87Å; R127-D129 IonicContact CZ-OD1 3.48Å; R127-D129 VanDerWaalsContact CZ-OD1 3.24Å; R127-D129 IonicContact CZ-OD2 2.69Å; R127-D129 VanDerWaalsContact NE-CG 3.35Å; R127-D129 IonicContact NE-OD1 3.51Å; R127-D129 PolarHBondContact NE-OD1 3Å; R127-D129 IonicContact NE-OD2 3.27Å; R127-D129 PolarHBondContact NE-OD2 3.41Å; R127-D129 VanDerWaalsContact NE-OD2 3.11Å; R127-D129 IonicContact NH2-OD1 3.18Å; R127-D129 PolarHBondContact NH2-OD1 3.48Å; R127-D129 IonicContact NH2-OD2 3.67Å; R127-D129 PolarHBondContact NH2-OD2 3.06Å
130V78.7Confident76.1Confident8 Ų865.4 Ų65.45%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-84.7127.9174.7-165.30000110.6P2 L65 L97 R103 V128 L142P2-V130 CarbonylContact O-C 3.54Å; P2-V130 WeakPolarHBondContact O-CA 3.31Å; P2-V130 VanDerWaalsContact O-CG1 3.22Å; P2-V130 WeakPolarHBondContact O-CG1 3.44Å; L65-V130 HydrophobicContact CD2-CG1 4.3Å; L65-V130 HydrophobicContact CD2-CG2 4.18Å; L97-V130 HydrophobicContact CD2-CG2 3.69Å; R103-V130 VanDerWaalsContact NH1-N 3.18Å; R103-V130 PolarHBondContact NH1-O 3.4Å; R103-V130 PolarHBondContact NH2-O 2.82Å; V128-V130 HydrophobicContact CG1-CG2 3.58Å; V130-L142 HydrophobicContact CG1-CD1 3.78Å; V130-L142 HydrophobicContact CG1-CD2 4.41Å
131F72.2Confident75.4Confident122 Ų12265.1 Ų65.154%0.53532%0.316SS..  trans-91117.2168.3-58.5-91.1000108.9M1 P2 D133M1-F131 WeakPolarHBondContact O-CB 3.5Å; M1-F131 VanDerWaalsContact O-CD2 3.25Å; M1-F131 WeakPolarHBondContact O-CD2 3.32Å; P2-F131 PolarHBondContact O-N 3Å; F131-D133 PolarHBondContact O-N 3.38Å
132L63.1Low74.5Confident89 Ų8963.4 Ų63.447%0.46631%0.308SS..  trans-77.588.4175.3-67171.9000109
133D55.4Low73.5Confident84 Ų8464.2 Ų64.245%0.44932%0.317SS..  trans-57.3135.9170.8-109.2-51.4000109.7M1 F131 S135 H138M1-D133 PolarHBondContact N-OD2 2.85Å; F131-D133 PolarHBondContact O-N 3.38Å; D133-S135 VanDerWaalsContact C-N 3.26Å; D133-S135 PolarHBondContact O-N 2.88Å; D133-H138 PolarHBondContact O-CE1 3.48Å
134A52.2Low73.1Confident104 Ų10464.1 Ų64.186%0.8632%0.316SS*.  trans-90.418.1-175.100000113.3
135S50.4Low72.8Confident56 Ų5666.9 Ų66.939%0.39233%0.326SS..  trans-82.3140.7-174.360.10000111.5D133 Y137 H138D133-S135 VanDerWaalsContact C-N 3.26Å; D133-S135 PolarHBondContact O-N 2.88Å; S135-Y137 PolarHBondContact O-N 2.94Å; S135-Y137 VanDerWaalsContact O-N 3.08Å; S135-H138 PolarHBondContact O-CE1 2.8Å; S135-H138 VanDerWaalsContact O-CE1 3.28Å; S135-H138 PolarHBondContact O-NE2 3.49Å
136R49.4Very low72.8Confident241 Ų24166.5 Ų66.591%0.90932%0.321SS*.SBendtrans-71.1-1.6-178.3-59.1-173-171.5-175.63.5114.6
137Y49.6Very low72.8Confident212 Ų21266.7 Ų66.783%0.83132%0.322SS*.  trans-111.158.6-173.9-64.5-74.9000110.4S135 Q139S135-Y137 PolarHBondContact O-N 2.94Å; S135-Y137 VanDerWaalsContact O-N 3.08Å; Y137-Q139 PolarHBondContact O-N 2.82Å
138H60.5Low72.9Confident89 Ų8961.7 Ų61.741%0.41230%0.303SS..  trans-70.2119.9176.9-63.1-61.4000110.8D133 S135 S140 L209D133-H138 PolarHBondContact O-CE1 3.48Å; S135-H138 PolarHBondContact O-CE1 2.8Å; S135-H138 VanDerWaalsContact O-CE1 3.28Å; S135-H138 PolarHBondContact O-NE2 3.49Å; H138-S140 VanDerWaalsContact C-N 3.3Å; H138-L209 WeakPolarHBondContact O-CD2 3.43Å
139Q63.6Low73Confident127 Ų12761.7 Ų61.759%0.59330%0.303SS*.  trans-85.9-9161.5-65.7-173.6-5.500112.1Y137 R205Y137-Q139 PolarHBondContact O-N 2.82Å; Q139-R205 WeakPolarHBondContact O-CD 3.49Å
140S70.1Confident73.1Confident4 Ų460.9 Ų60.93%0.02830%0.3CS..SBendtrans-91.4147.8178.984.80000112.3D62 H138 L142 L209D62-S140 WeakPolarHBondContact OD1-CB 3.5Å; H138-S140 VanDerWaalsContact C-N 3.3Å; S140-L142 VanDerWaalsContact C-N 3.31Å; S140-L142 WeakPolarHBondContact OG-CD1 3.45Å; S140-L142 WeakPolarHBondContact OG-CG 3.43Å; S140-L142 PolarHBondContact OG-N 2.84Å; S140-L209 WeakPolarHBondContact O-CD2 3.46Å
141S78.8Confident73.6Confident5 Ų561 Ų614%0.03530%0.301CS..  trans-91.518.3167.364.30000114.2Q66 G143 V144Q66-S141 PolarHBondContact NE2-OG 2.76Å; Q66-S141 PolarHBondContact OE1-OG 3.13Å; S141-G143 PolarHBondContact O-N 3Å; S141-V144 PolarHBondContact O-N 3.29Å
142L77.5Confident74.3Confident14 Ų1457.7 Ų57.77%0.07329%0.288CS..THydrogen-bonded Turntrans-53.387.1-171.1-72.7171.8000115.5D62 L97 R99 V130 S140D62-L142 WeakPolarHBondContact OD1-CD1 3.42Å; L97-L142 HydrophobicContact CB-CD2 3.62Å; L97-L142 HydrophobicContact CD1-CD2 3.82Å; L97-L142 HydrophobicContact CD2-CD2 4.32Å; L97-L142 HydrophobicContact CG-CD2 4.11Å; R99-L142 PolarHBondContact NE-O 3.41Å; R99-L142 VanDerWaalsContact NE-O 3.13Å; R99-L142 PolarHBondContact NH2-O 2.88Å; V130-L142 HydrophobicContact CG1-CD1 3.78Å; V130-L142 HydrophobicContact CG1-CD2 4.41Å; S140-L142 VanDerWaalsContact C-N 3.31Å; S140-L142 WeakPolarHBondContact OG-CD1 3.45Å; S140-L142 WeakPolarHBondContact OG-CG 3.43Å; S140-L142 PolarHBondContact OG-N 2.84Å
143G75.4Confident75.5Confident18 Ų1853.5 Ų53.519%0.18627%0.266CS..THydrogen-bonded Turntrans140.3-12.5176.600000114.8S141S141-G143 PolarHBondContact O-N 3Å
144V88.3Confident76.8Confident14 Ų1453.1 Ų53.19%0.08526%0.262CS..  trans-70140.4165.6-177.50000109.2S141 F146 G208 V211 L212 N217S141-V144 PolarHBondContact O-N 3.29Å; V144-F146 HydrophobicContact CB-CE2 4.38Å; V144-F146 HydrophobicContact CG1-CD2 4.29Å; V144-F146 HydrophobicContact CG1-CE2 3.88Å; V144-F146 HydrophobicContact CG1-CZ 4.39Å; V144-G208 WeakPolarHBondContact CG2-O 3.48Å; V144-V211 HydrophobicContact CG1-CB 4.23Å; V144-V211 HydrophobicContact CG1-CG1 3.92Å; V144-V211 HydrophobicContact CG2-CB 4.23Å; V144-V211 HydrophobicContact CG2-CG1 4.04Å; V144-L212 HydrophobicContact CG2-CD1 4.22Å; V144-L212 HydrophobicContact CG2-CD2 3.73Å; V144-L212 HydrophobicContact CG2-CG 3.58Å; V144-N217 WeakPolarHBondContact CA-O 3.47Å
145R89.7Confident78.3Confident59 Ų5950 Ų5022%0.22324%0.239CC..EExtended strand (participates in β ladder)trans-111.9128.4169.6-63.5-171.6-17383.62.6110.4R99 Y147 N217 S218 L219R99-R145 PolarHBondContact O-NH2 3.2Å; R145-Y147 HydrophobicContact CB-CD2 4.23Å; R145-Y147 HydrophobicContact CB-CE2 3.53Å; R145-Y147 WeakPolarHBondContact CD-OH 3.45Å; R145-N217 PolarHBondContact N-O 2.9Å; R145-S218 CarbonylContact O-C 3.2Å; R145-S218 WeakPolarHBondContact O-CA 3.42Å; R145-S218 WeakPolarHBondContact O-CB 3.23Å; R145-L219 PolarHBondContact O-N 3.07Å
146F93.4Very high80Confident10 Ų1049.1 Ų49.14%0.04423%0.229CC..EExtended strand (participates in β ladder)trans-89.9143.1171.9-69.2-104.2000108.9V144 Q204 M207 L219 Y222 N1188V144-F146 HydrophobicContact CB-CE2 4.38Å; V144-F146 HydrophobicContact CG1-CD2 4.29Å; V144-F146 HydrophobicContact CG1-CE2 3.88Å; V144-F146 HydrophobicContact CG1-CZ 4.39Å; F146-Q204 HydrophobicContact CE1-CG 4.46Å; F146-Q204 HydrophobicContact CE2-CB 4.37Å; F146-Q204 HydrophobicContact CZ-CB 4.23Å; F146-Q204 WeakPolarHBondContact CZ-O 3.29Å; F146-M207 HydrophobicContact CE1-CB 3.99Å; F146-M207 HydrophobicContact CE1-SD 4.47Å; F146-M207 HydrophobicContact CZ-CB 4.04Å; F146-L219 HydrophobicContact CD1-CB 4.16Å; F146-L219 HydrophobicContact CD1-CD2 3.67Å; F146-L219 HydrophobicContact CE1-CB 4.36Å; F146-L219 HydrophobicContact CE1-CD2 3.59Å; F146-Y222 HydrophobicContact CB-CD1 4.36Å; F146-Y222 HydrophobicContact CD1-CD1 4.12Å; F146-Y222 AromaticContact CD1-CD2 3.91Å; F146-Y222 HydrophobicContact CD1-CD2 3.91Å; F146-Y222 HydrophobicContact CD1-CE1 4.28Å; F146-Y222 HydrophobicContact CD1-CE2 4.05Å; F146-Y222 AromaticContact CD1-CG 3.94Å; F146-Y222 HydrophobicContact CD1-CG 3.94Å; F146-Y222 HydrophobicContact CE1-CD2 4.35Å; F146-Y222 HydrophobicContact CE1-CE2 4.24Å; F146-N1188 HydrophobicContact CB-CB 4.26Å
147Y94.1Very high81.9Confident6 Ų639.5 Ų39.52%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-139.8117-179.5-68.4-82000109.3R145 C149 P153 L219 I220 G221 Y222 L245 Y1185 D1261R145-Y147 HydrophobicContact CB-CD2 4.23Å; R145-Y147 HydrophobicContact CB-CE2 3.53Å; R145-Y147 WeakPolarHBondContact CD-OH 3.45Å; Y147-C149 VanDerWaalsContact C-N 3.28Å; Y147-P153 HydrophobicContact CD1-CB 4.09Å; Y147-P153 HydrophobicContact CD1-CG 3.51Å; Y147-P153 HydrophobicContact CD2-CG 4.01Å; Y147-P153 HydrophobicContact CE1-CB 3.76Å; Y147-P153 HydrophobicContact CE1-CG 3.57Å; Y147-P153 HydrophobicContact CE2-CG 4.06Å; Y147-P153 HydrophobicContact CG-CG 3.73Å; Y147-L219 WeakPolarHBondContact CB-O 3.41Å; Y147-L219 PolarHBondContact N-O 2.64Å; Y147-I220 HydrophobicContact CD2-CG1 4.46Å; Y147-G221 PolarHBondContact O-N 3.45Å; Y147-Y222 WeakPolarHBondContact O-CB 3.47Å; Y147-Y222 PolarHBondContact O-N 3.35Å; Y147-L245 HydrophobicContact CE2-CD1 3.93Å; Y147-Y1185 HydrophobicContact CD1-CD1 4.21Å; Y147-Y1185 HydrophobicContact CD1-CE1 4.39Å; Y147-Y1185 AromaticContact CE1-CD1 3.75Å; Y147-Y1185 HydrophobicContact CE1-CD1 3.75Å; Y147-Y1185 HydrophobicContact CE1-CD2 4.44Å; Y147-Y1185 HydrophobicContact CE1-CE1 4.19Å; Y147-Y1185 AromaticContact CE1-CG 3.89Å; Y147-Y1185 HydrophobicContact CE1-CG 3.89Å; Y147-D1261 WeakPolarHBondContact CA-OD1 3.44Å; Y147-D1261 WeakPolarHBondContact CA-OD2 3.44Å
148H93.2Very high83.6Confident4 Ų430.5 Ų30.52%0.01916%0.163CC..  trans-69.5-26.6170.7-71.1107000112.4C150 Y222 D1190 H1237 G1260 D1261H148-C150 PolarHBondContact O-N 3.08Å; H148-Y222 AromaticContact CD2-CD1 3.85Å; H148-Y222 PolarHBondContact CD2-O 2.89Å; H148-Y222 AromaticContact CE1-CD1 3.92Å; H148-Y222 AromaticContact NE2-CD1 3.4Å; H148-Y222 WeakPolarHBondContact NE2-CD1 3.45Å; H148-Y222 AromaticContact NE2-CE1 3.77Å; H148-D1190 IonicContact CE1-OD1 2.7Å; H148-D1190 PolarHBondContact CE1-OD1 2.87Å; H148-D1190 IonicContact CE1-OD2 3.82Å; H148-D1190 IonicContact NE2-OD1 3.97Å; H148-D1190 PolarHBondContact NE2-OD1 3.44Å; H148-D1190 VanDerWaalsContact NE2-OD1 3.17Å; H148-H1237 AromaticContact CD2-CE1 3.72Å; H148-G1260 VanDerWaalsContact ND1-C 3.33Å; H148-G1260 PolarHBondContact ND1-N 3.35Å; H148-G1260 PolarHBondContact ND1-O 3.12Å; H148-D1261 WeakPolarHBondContact CB-OD1 3.41Å; H148-D1261 IonicContact CG-OD1 3.34Å; H148-D1261 VanDerWaalsContact N-CG 3.28Å; H148-D1261 PolarHBondContact N-OD1 2.98Å; H148-D1261 PolarHBondContact N-OD2 2.83Å; H148-D1261 IonicContact ND1-OD1 3.16Å; H148-D1261 PolarHBondContact ND1-OD1 3.24Å
149C91.3Very high84.9Confident0 Ų027.8 Ų27.80%015%0.151CC..  trans-56.8127.8175.351.60000111.7Y147 T151 I220 G221 S1175 S1235 D1261Y147-C149 VanDerWaalsContact C-N 3.28Å; C149-T151 PolarHBondContact O-N 2.79Å; C149-I220 WeakPolarHBondContact O-CG2 3.25Å; C149-G221 PolarHBondContact O-N 2.85Å; C149-S1175 VanDerWaalsContact CB-CB 3.48Å; C149-S1175 WeakPolarHBondContact CB-OG 3.14Å; C149-S1235 WeakPolarHBondContact CA-OG 3.46Å; C149-S1235 VanDerWaalsContact CB-OG 3.31Å; C149-S1235 WeakPolarHBondContact CB-OG 3.42Å; C149-D1261 PolarHBondContact N-OD2 2.97Å; C149-D1261 PolarHBondContact SG-OD2 3.19Å
150C89.1Confident85.9Confident13 Ų1323.2 Ų23.29%0.08813%0.133CC..SBendtrans-87.629.1-178.3-67.20000111.5H148 I302 S303 Q304H148-C150 PolarHBondContact O-N 3.08Å; C150-I302 WeakPolarHBondContact O-CG2 3.41Å; C150-S303 PolarHBondContact O-N 3.34Å; C150-Q304 PolarHBondContact O-N 2.66Å
151T87.8Confident86.7Confident11 Ų1124 Ų247%0.06714%0.137CC..SBendtrans-143.6176.8-170.267.60000108.9C149 P153 I220 Q304 S1175C149-T151 PolarHBondContact O-N 2.79Å; T151-P153 WeakPolarHBondContact O-CD 3.16Å; T151-I220 VanDerWaalsContact O-CG2 3.23Å; T151-I220 WeakPolarHBondContact O-CG2 3.48Å; T151-Q304 HydrophobicContact CG2-CB 3.71Å; T151-S1175 VanDerWaalsContact OG1-CB 3.24Å; T151-S1175 WeakPolarHBondContact OG1-CB 3.39Å; T151-S1175 PolarHBondContact OG1-OG 2.96Å
152I88.5Confident87Confident52 Ų5224.1 Ų24.127%0.26714%0.137SC..PPolyproline II helixtrans-78.1125.2172.5-62.4178.2000109.3Q154 I158 L306I152-Q154 PolarHBondContact O-N 2.89Å; I152-I158 HydrophobicContact CD1-CD1 3.72Å; I152-I158 HydrophobicContact CD1-CG1 3.89Å; I152-I158 HydrophobicContact CG1-CD1 3.9Å; I152-I158 HydrophobicContact CG1-CG1 4.2Å; I152-L306 HydrophobicContact CD1-CD1 4.06Å; I152-L306 HydrophobicContact CD1-CD2 3.61Å; I152-L306 HydrophobicContact CD1-CG 4.45Å; I152-L306 HydrophobicContact CG1-CD2 3.76Å
153P88Confident87.5Confident1 Ų123.4 Ų23.41%0.00613%0.134CC..PPolyproline II helixtrans-54133.7174.7-26.434.2000112.5Y147 T151 G155 F156 L245 Y1185Y147-P153 HydrophobicContact CD1-CB 4.09Å; Y147-P153 HydrophobicContact CD1-CG 3.51Å; Y147-P153 HydrophobicContact CD2-CG 4.01Å; Y147-P153 HydrophobicContact CE1-CB 3.76Å; Y147-P153 HydrophobicContact CE1-CG 3.57Å; Y147-P153 HydrophobicContact CE2-CG 4.06Å; Y147-P153 HydrophobicContact CG-CG 3.73Å; T151-P153 WeakPolarHBondContact O-CD 3.16Å; P153-G155 PolarHBondContact O-N 3.48Å; P153-F156 HydrophobicContact CB-CD2 3.87Å; P153-F156 HydrophobicContact CB-CE2 4.46Å; P153-F156 WeakPolarHBondContact O-CB 3.35Å; P153-F156 PolarHBondContact O-N 3.26Å; P153-F156 VanDerWaalsContact O-N 3.08Å; P153-L245 HydrophobicContact CG-CD1 4.18Å; P153-Y1185 WeakPolarHBondContact CA-OH 3.23Å; P153-Y1185 HydrophobicContact CB-CD2 4.42Å; P153-Y1185 HydrophobicContact CB-CE1 4.29Å; P153-Y1185 HydrophobicContact CB-CE2 3.76Å
154Q83.2Confident88.4Confident75 Ų7522.6 Ų22.635%0.3513%0.125SC..THydrogen-bonded Turntrans-60.9136.1-172.4-164.6-177.819.500111.5I152 F156 T1180 Y1181 V1182 Y1185I152-Q154 PolarHBondContact O-N 2.89Å; Q154-F156 VanDerWaalsContact C-N 3.29Å; Q154-F156 PolarHBondContact O-N 3.17Å; Q154-T1180 PolarHBondContact NE2-O 3.24Å; Q154-Y1181 VanDerWaalsContact OE1-CA 3.32Å; Q154-V1182 HydrophobicContact CB-CB 4.4Å; Q154-V1182 HydrophobicContact CB-CG2 4.34Å; Q154-Y1185 PolarHBondContact N-OH 3.01Å
155G82.4Confident88.7Confident38 Ų3822.1 Ų22.139%0.39212%0.122SC..THydrogen-bonded Turntrans788.4-176.200000114.7P153 Y248P153-G155 PolarHBondContact O-N 3.48Å; G155-Y248 WeakPolarHBondContact O-CB 3.49Å; G155-Y248 PolarHBondContact O-N 3.35Å
156F86.6Confident88.9Confident38 Ų3820.4 Ų20.417%0.16712%0.116CC..EExtended strand (participates in β ladder)trans-111.6160.2167-65.7-95.4000111.7P153 Q154 L245 K246 K247 Y1185P153-F156 HydrophobicContact CB-CD2 3.87Å; P153-F156 HydrophobicContact CB-CE2 4.46Å; P153-F156 WeakPolarHBondContact O-CB 3.35Å; P153-F156 PolarHBondContact O-N 3.26Å; P153-F156 VanDerWaalsContact O-N 3.08Å; Q154-F156 VanDerWaalsContact C-N 3.29Å; Q154-F156 PolarHBondContact O-N 3.17Å; F156-L245 HydrophobicContact CB-CB 4.45Å; F156-L245 HydrophobicContact CB-CD1 4.2Å; F156-L245 HydrophobicContact CB-CD2 4.33Å; F156-L245 HydrophobicContact CD1-CB 4Å; F156-L245 HydrophobicContact CD1-CD1 4.28Å; F156-L245 HydrophobicContact CG-CD1 4.24Å; F156-K246 CarbonylContact C-O 3.58Å; F156-K246 WeakPolarHBondContact CA-O 3.35Å; F156-K247 HydrophobicContact CD1-CB 4.34Å; F156-K247 HydrophobicContact CE1-CB 4.23Å; F156-Y1185 AromaticContact CE2-CD2 3.92Å; F156-Y1185 HydrophobicContact CE2-CD2 3.92Å; F156-Y1185 HydrophobicContact CE2-CE2 4.34Å
157V87.9Confident89Confident40 Ų4021.9 Ų21.924%0.24212%0.123CC..EExtended strand (participates in β ladder)trans-130.1143.7168.1-69.50000109.5D159 L245 K246 Y248V157-D159 PolarHBondContact O-N 2.74Å; V157-L245 WeakPolarHBondContact O-CA 3.41Å; V157-K246 HydrophobicContact CG2-CB 4.3Å; V157-K246 PolarHBondContact N-O 2.92Å; V157-K246 PolarHBondContact O-N 3.05Å; V157-Y248 HydrophobicContact CG1-CD2 3.99Å
158I87Confident89Confident22 Ų2222 Ų2211%0.11312%0.124CC..EExtended strand (participates in β ladder)trans-72.4125171.3-65.1174.8000108.6I152 S160 L161 V243 L245 L306I152-I158 HydrophobicContact CD1-CD1 3.72Å; I152-I158 HydrophobicContact CD1-CG1 3.89Å; I152-I158 HydrophobicContact CG1-CD1 3.9Å; I152-I158 HydrophobicContact CG1-CG1 4.2Å; I158-S160 VanDerWaalsContact CG2-C 3.41Å; I158-L161 HydrophobicContact CG2-CB 4.3Å; I158-V243 HydrophobicContact CD1-CG1 4.17Å; I158-V243 HydrophobicContact CG1-CG1 4.41Å; I158-L245 HydrophobicContact CG1-CD2 3.73Å; I158-L306 HydrophobicContact CD1-CD1 3.82Å
159D86.3Confident89Confident33 Ų3322 Ų2218%0.17612%0.124CC..EExtended strand (participates in β ladder)trans-97.8-28174.4-174.468.4000112.1V157 R244 K246V157-D159 PolarHBondContact O-N 2.74Å; D159-R244 WeakPolarHBondContact CB-O 3.4Å; D159-R244 PolarHBondContact N-O 3.32Å; D159-R244 IonicContact OD2-CZ 3.25Å; D159-R244 VanDerWaalsContact OD2-CZ 3.25Å; D159-R244 IonicContact OD2-NE 2.85Å; D159-R244 PolarHBondContact OD2-NE 3.28Å; D159-R244 IonicContact OD2-NH2 2.77Å; D159-R244 PolarHBondContact OD2-NH2 3.48Å; D159-K246 HydrophobicContact CB-CD 3.83Å; D159-K246 HydrophobicContact CB-CG 3.97Å; D159-K246 WeakPolarHBondContact OD1-CD 3.32Å; D159-K246 VanDerWaalsContact OD1-CE 3.3Å; D159-K246 WeakPolarHBondContact OD1-CE 3.34Å; D159-K246 IonicContact OD1-NZ 2.69Å; D159-K246 PolarHBondContact OD1-NZ 2.94Å; D159-K246 WeakPolarHBondContact OD2-CE 3.3Å; D159-K246 IonicContact OD2-NZ 2.93Å; D159-K246 PolarHBondContact OD2-NZ 3Å
160S85.1Confident89Confident31 Ų3124.5 Ų24.522%0.21714%0.137CC..EExtended strand (participates in β ladder)trans-154.2131.5162.756.30000110.3I158 R244I158-S160 VanDerWaalsContact CG2-C 3.41Å; S160-R244 PolarHBondContact N-O 3.28Å; S160-R244 PolarHBondContact O-N 3.4Å; S160-R244 VanDerWaalsContact OG-CB 3.29Å; S160-R244 WeakPolarHBondContact OG-CB 3.47Å; S160-R244 PolarHBondContact OG-NH1 3.32Å
161L86.3Confident89Confident21 Ų2126.1 Ų26.111%0.1115%0.145CC..EExtended strand (participates in β ladder)trans-83.4134163.5-176.960.4000107.4I158 T241 V243 L300 I302I158-L161 HydrophobicContact CG2-CB 4.3Å; L161-T241 HydrophobicContact CD1-CG2 3.65Å; L161-V243 HydrophobicContact CD1-CG1 3.68Å; L161-L300 HydrophobicContact CD1-CD2 3.97Å; L161-L300 HydrophobicContact CD2-CD1 4.24Å; L161-L300 HydrophobicContact CD2-CD2 4Å; L161-L300 HydrophobicContact CG-CD2 4.24Å; L161-I302 HydrophobicContact CD1-CD1 4.32Å
162I85.9Confident89Confident6 Ų630.5 Ų30.53%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-119.1-39-168.5-46.3176000111.9I214 A242 A291 L294 G295I162-I214 HydrophobicContact CB-CD1 4.35Å; I162-I214 HydrophobicContact CG2-CB 4.13Å; I162-I214 HydrophobicContact CG2-CD1 3.73Å; I162-I214 HydrophobicContact CG2-CG1 4.01Å; I162-A242 HydrophobicContact CB-CB 4.38Å; I162-A242 WeakPolarHBondContact CB-O 3.34Å; I162-A242 PolarHBondContact N-O 2.94Å; I162-A291 VanDerWaalsContact O-O 3.05Å; I162-L294 HydrophobicContact CG2-CB 3.52Å; I162-L294 HydrophobicContact CG2-CD1 3.94Å; I162-L294 HydrophobicContact CG2-CG 4.39Å; I162-G295 PolarHBondContact O-N 3.24Å
163G87.2Confident88.8Confident0 Ų028.1 Ų28.10%016%0.156CC..EExtended strand (participates in β ladder)trans135.6-164.7171.100000113.9A242G163-A242 PolarHBondContact N-O 3.47Å; G163-A242 PolarHBondContact O-N 3Å
164F94.1Very high88.5Confident0 Ų028.5 Ų28.50%016%0.158CC..EExtended strand (participates in β ladder)trans-75.7135.9-177-168.7-114.4000112.6Q166 I239 G295 E296 F297 F299 T301 Y362F164-Q166 HydrophobicContact CE1-CB 3.89Å; F164-Q166 HydrophobicContact CE1-CG 4.46Å; F164-Q166 HydrophobicContact CZ-CB 4.46Å; F164-I239 HydrophobicContact CE2-CB 3.87Å; F164-I239 HydrophobicContact CE2-CG2 4.35Å; F164-I239 HydrophobicContact CZ-CB 3.75Å; F164-I239 HydrophobicContact CZ-CG2 3.7Å; F164-G295 WeakPolarHBondContact O-CA 3.34Å; F164-E296 PolarHBondContact O-N 2.99Å; F164-F297 HydrophobicContact CB-CB 4.28Å; F164-F297 VanDerWaalsContact CB-O 3.25Å; F164-F297 WeakPolarHBondContact CB-O 3.49Å; F164-F297 HydrophobicContact CD1-CB 4.12Å; F164-F297 AromaticContact CD1-CD2 3.98Å; F164-F297 HydrophobicContact CD1-CD2 3.98Å; F164-F297 HydrophobicContact CE1-CD2 4.34Å; F164-F297 HydrophobicContact CG-CB 4.49Å; F164-F299 HydrophobicContact CB-CB 4.06Å; F164-F299 HydrophobicContact CD1-CD2 4.19Å; F164-F299 HydrophobicContact CD2-CB 3.79Å; F164-F299 HydrophobicContact CD2-CD2 4.46Å; F164-F299 HydrophobicContact CE1-CD2 4.23Å; F164-F299 HydrophobicContact CE2-CB 4.35Å; F164-F299 HydrophobicContact CG-CB 3.95Å; F164-F299 HydrophobicContact CG-CD2 4.29Å; F164-F299 HydrophobicContact CZ-CD2 4.39Å; F164-T301 HydrophobicContact CD2-CG2 4.35Å; F164-T301 HydrophobicContact CE2-CG2 3.97Å; F164-Y362 AromaticContact CE2-CD1 3.7Å; F164-Y362 HydrophobicContact CE2-CD1 3.7Å; F164-Y362 AromaticContact CE2-CE1 3.92Å; F164-Y362 HydrophobicContact CE2-CE1 3.92Å; F164-Y362 AromaticContact CZ-CD1 3.97Å; F164-Y362 HydrophobicContact CZ-CD1 3.97Å; F164-Y362 AromaticContact CZ-CE1 3.67Å; F164-Y362 HydrophobicContact CZ-CE1 3.67Å
165I95.2Very high88.1Confident4 Ų427.1 Ų27.12%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-125136.1167.2-73.2-59.1000109.2M207 K210 V211 I214 L219 I239 G240 A242I165-M207 HydrophobicContact CG2-CB 4.38Å; I165-M207 HydrophobicContact CG2-CE 3.98Å; I165-K210 HydrophobicContact CD1-CB 3.97Å; I165-K210 HydrophobicContact CD1-CD 4.42Å; I165-K210 HydrophobicContact CG2-CB 4.11Å; I165-K210 HydrophobicContact CG2-CD 4.23Å; I165-V211 HydrophobicContact CG1-CG2 4.21Å; I165-V211 HydrophobicContact CG2-CG2 4.36Å; I165-I214 HydrophobicContact CD1-CD1 3.74Å; I165-I214 HydrophobicContact CG1-CD1 3.76Å; I165-L219 HydrophobicContact CB-CD1 4.07Å; I165-L219 HydrophobicContact CG2-CD1 4.44Å; I165-I239 WeakPolarHBondContact O-CA 3.44Å; I165-G240 PolarHBondContact N-O 3.08Å; I165-G240 PolarHBondContact O-N 2.9Å; I165-A242 HydrophobicContact CG1-CB 3.83Å
166Q94.4Very high87.5Confident24 Ų2429.4 Ų29.411%0.11215%0.152CC..EExtended strand (participates in β ladder)trans-128.1156.9176.764.1-170.117.300110.1F164 K210 G238 I239 E296 R344F164-Q166 HydrophobicContact CE1-CB 3.89Å; F164-Q166 HydrophobicContact CE1-CG 4.46Å; F164-Q166 HydrophobicContact CZ-CB 4.46Å; Q166-K210 WeakPolarHBondContact O-CD 3.21Å; Q166-K210 PolarHBondContact O-NZ 3.16Å; Q166-G238 CarbonylContact C-O 3.6Å; Q166-G238 VanDerWaalsContact CA-O 3.29Å; Q166-G238 WeakPolarHBondContact CA-O 3.43Å; Q166-I239 HydrophobicContact CB-CG2 4.2Å; Q166-E296 VanDerWaalsContact CD-OE2 3.27Å; Q166-E296 VanDerWaalsContact CG-OE2 3.29Å; Q166-E296 WeakPolarHBondContact CG-OE2 3.4Å; Q166-E296 PolarHBondContact NE2-OE2 2.91Å; Q166-R344 VanDerWaalsContact OE1-NE 3.13Å
167E95Very high86.6Confident41 Ų4130.4 Ų30.419%0.19216%0.157CC..EExtended strand (participates in β ladder)trans-152.7154.9161.5-16770.9176.700109.4L203 K206 M207 K210 G238E167-L203 HydrophobicContact CB-CD1 3.77Å; E167-L203 HydrophobicContact CG-CD1 3.93Å; E167-K206 HydrophobicContact CG-CB 3.75Å; E167-K206 HydrophobicContact CG-CD 4.11Å; E167-K206 WeakPolarHBondContact OE1-CD 3.42Å; E167-M207 HydrophobicContact CB-CG 3.39Å; E167-M207 HydrophobicContact CB-SD 4.34Å; E167-M207 HydrophobicContact CG-CG 4.39Å; E167-K210 WeakPolarHBondContact OE2-CE 3.25Å; E167-K210 IonicContact OE2-NZ 2.71Å; E167-K210 PolarHBondContact OE2-NZ 3.02Å; E167-G238 PolarHBondContact N-O 3.27Å; E167-G238 PolarHBondContact O-N 3.29Å
168L94.1Very high85Confident7 Ų737.5 Ų37.54%0.03718%0.179CC..EExtended strand (participates in β ladder)trans-131.5141.8174.1-167152.4000108.4V235 V236 R237 I333 R336 D337L168-V235 HydrophobicContact CD1-CG1 3.92Å; L168-V235 HydrophobicContact CD2-CG1 3.92Å; L168-V235 HydrophobicContact CG-CG1 3.91Å; L168-V236 CarbonylContact C-O 3.56Å; L168-V236 WeakPolarHBondContact CA-O 3.45Å; L168-R237 HydrophobicContact CB-CG 4.32Å; L168-R237 HydrophobicContact CD1-CG 3.64Å; L168-R237 HydrophobicContact CG-CG 3.76Å; L168-I333 HydrophobicContact CD2-CD1 4.27Å; L168-I333 HydrophobicContact CD2-CG1 3.5Å; L168-R336 HydrophobicContact CD1-CB 3.81Å; L168-R336 HydrophobicContact CD2-CB 4.39Å; L168-D337 VanDerWaalsContact CB-OD1 3.3Å; L168-D337 WeakPolarHBondContact CB-OD1 3.49Å
169V93.5Very high83.8Confident4 Ų439.2 Ų39.22%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-133.8149.1167.8-57.20000110.2L199 E202 L203 K206 V236V169-L199 HydrophobicContact CG2-CB 4.15Å; V169-L199 HydrophobicContact CG2-CD2 4.07Å; V169-E202 HydrophobicContact CG1-CG 4.47Å; V169-L203 HydrophobicContact CG1-CD1 4.15Å; V169-L203 HydrophobicContact CG2-CB 4.37Å; V169-L203 HydrophobicContact CG2-CD1 4.31Å; V169-K206 HydrophobicContact CG1-CD 4.12Å; V169-K206 VanDerWaalsContact CG1-NZ 3.28Å; V169-V236 HydrophobicContact CG2-CB 3.8Å; V169-V236 HydrophobicContact CG2-CG1 4.48Å; V169-V236 HydrophobicContact CG2-CG2 4.45Å; V169-V236 PolarHBondContact N-O 2.92Å; V169-V236 PolarHBondContact O-N 3.47Å
170M90.4Very high82.5Confident54 Ų5439.2 Ų39.227%0.26619%0.187SC..EExtended strand (participates in β ladder)trans-134.8139-175.1177.1-172.4-85.900109.6V234 V235 I333 R336M170-V234 WeakPolarHBondContact CA-O 3.45Å; M170-V235 HydrophobicContact CB-CG2 4.38Å; M170-V235 HydrophobicContact CE-CG2 3.47Å; M170-V235 VanDerWaalsContact CE-CG2 3.47Å; M170-V235 HydrophobicContact CG-CG2 4.16Å; M170-I333 HydrophobicContact CB-CG1 4.48Å; M170-R336 HydrophobicContact CE-CG 3.64Å
171N90.5Very high81.4Confident47 Ų4746.8 Ų46.825%0.25122%0.216SC..EExtended strand (participates in β ladder)trans-156.9148.8173.6-171113000109.2D173 L195 R198 L199 V234N171-D173 PolarHBondContact O-N 3.03Å; N171-L195 HydrophobicContact CB-CD1 4.24Å; N171-L195 HydrophobicContact CB-CD2 4.44Å; N171-R198 PolarHBondContact OD1-NH2 2.56Å; N171-L199 HydrophobicContact CB-CD1 4.16Å; N171-L199 HydrophobicContact CB-CD2 3.99Å; N171-V234 PolarHBondContact N-O 3Å; N171-V234 VanDerWaalsContact N-O 3.15Å; N171-V234 PolarHBondContact O-N 2.91Å
172D86.3Confident80.7Confident102 Ų10252.1 Ų52.155%0.54524%0.244SC..  trans-49.6138.6172.7-32.2-23.6000111.6L195D172-L195 VanDerWaalsContact O-CD2 3.22Å; D172-L195 WeakPolarHBondContact O-CD2 3.37Å
173D84.4Confident80.1Confident3 Ų355.8 Ų55.82%0.01626%0.257CS..  trans-75.2129.2168.1-162.4-47.2000108.8N171 E175 H176 R192 V234N171-D173 PolarHBondContact O-N 3.03Å; D173-E175 PolarHBondContact O-N 3.46Å; D173-E175 WeakPolarHBondContact OD1-CB 3.37Å; D173-E175 PolarHBondContact OD1-N 3.44Å; D173-H176 PolarHBondContact O-N 3.06Å; D173-R192 IonicContact OD1-CZ 2.75Å; D173-R192 IonicContact OD1-NE 3.27Å; D173-R192 PolarHBondContact OD1-NE 3.08Å; D173-R192 IonicContact OD1-NH2 2.7Å; D173-R192 IonicContact OD2-CZ 3.61Å; D173-R192 IonicContact OD2-NE 2.86Å; D173-R192 PolarHBondContact OD2-NE 3.21Å; D173-R192 IonicContact OD2-NH2 3.59Å; D173-R192 PolarHBondContact OD2-NH2 2.82Å; D173-V234 HydrophobicContact CB-CG2 3.73Å; D173-V234 VanDerWaalsContact OD2-CG2 3.29Å; D173-V234 WeakPolarHBondContact OD2-CG2 3.48Å
174P81.6Confident79.7Confident9 Ų960.2 Ų60.26%0.05828%0.284CS..G310 helixtrans-47.9-41170.4-30.636.9000113.2H176 Q177 E180 A191 R192 L195P174-H176 PolarHBondContact O-N 2.76Å; P174-H176 VanDerWaalsContact O-N 3.08Å; P174-Q177 WeakPolarHBondContact O-CB 3.43Å; P174-Q177 PolarHBondContact O-N 3.48Å; P174-E180 WeakPolarHBondContact O-CG 3.36Å; P174-A191 HydrophobicContact CB-CB 3.79Å; P174-A191 HydrophobicContact CG-CB 3.99Å; P174-R192 HydrophobicContact CB-CG 4.01Å; P174-R192 HydrophobicContact CG-CG 4.18Å; P174-L195 HydrophobicContact CG-CB 4.44Å; P174-L195 HydrophobicContact CG-CD2 4.17Å
175E76.8Confident78.9Confident45 Ų4563.2 Ų63.221%0.2131%0.305CS..G310 helixtrans-59.8-21.1-174.1-167.6158.2-94.500114.8D173 R192 Q1253D173-E175 PolarHBondContact O-N 3.46Å; D173-E175 WeakPolarHBondContact OD1-CB 3.37Å; D173-E175 PolarHBondContact OD1-N 3.44Å; E175-R192 IonicContact OE1-CZ 2.82Å; E175-R192 IonicContact OE1-NE 3.54Å; E175-R192 IonicContact OE1-NH1 2.7Å; E175-R192 PolarHBondContact OE1-NH1 3Å; E175-R192 IonicContact OE2-CZ 3.09Å; E175-R192 IonicContact OE2-NE 2.96Å; E175-R192 IonicContact OE2-NH1 2.82Å; E175-R192 PolarHBondContact OE2-NH1 2.81Å; E175-R192 IonicContact OE2-NH2 2.75Å; E175-R192 PolarHBondContact OE2-NH2 3.34Å; E175-Q1253 PolarHBondContact OE1-NE2 2.7Å
176H68.5Low78.3Confident87 Ų8765.2 Ų65.240%0.40331%0.312SS..G310 helixtrans-105.6-1.7180-67.6-85.5000113.9D173 P174 G230 E231D173-H176 PolarHBondContact O-N 3.06Å; P174-H176 PolarHBondContact O-N 2.76Å; P174-H176 VanDerWaalsContact O-N 3.08Å; H176-G230 PolarHBondContact CD2-O 3.21Å; H176-G230 VanDerWaalsContact CD2-O 3.24Å; H176-G230 WeakPolarHBondContact NE2-CA 3.41Å; H176-E231 HydrophobicContact CB-CG 4.36Å; H176-E231 WeakPolarHBondContact ND1-CG 3.31Å
177Q67Low77.7Confident58 Ų5865.8 Ų65.827%0.27132%0.322SS..SBendtrans-70.7142.3178.6-62.7-177.9-20.200111.4P174 I179 E180P174-Q177 WeakPolarHBondContact O-CB 3.43Å; P174-Q177 PolarHBondContact O-N 3.48Å; Q177-I179 HydrophobicContact CB-CG2 3.88Å; Q177-I179 PolarHBondContact O-N 3.08Å; Q177-E180 HydrophobicContact CB-CG 4.36Å; Q177-E180 WeakPolarHBondContact O-CB 3.24Å; Q177-E180 WeakPolarHBondContact O-CG 3.3Å; Q177-E180 PolarHBondContact O-N 3.41Å
178W55.8Low77.2Confident189 Ų18964.1 Ų64.172%0.71631%0.314SS*.G310 helixtrans-55-29.3-179.168.9-93000114.2E180 K181 I182W178-E180 PolarHBondContact O-N 3.1Å; W178-K181 WeakPolarHBondContact O-CB 3.38Å; W178-K181 PolarHBondContact O-N 3.29Å; W178-I182 HydrophobicContact CZ3-CD1 3.88Å
179I61.9Low76.8Confident58 Ų5863.8 Ų63.830%0.29731%0.313SS..G310 helixtrans-69.3-17.4179.9-165.7167.8000113Q177 K181 I182 R183Q177-I179 HydrophobicContact CB-CG2 3.88Å; Q177-I179 PolarHBondContact O-N 3.08Å; I179-K181 PolarHBondContact O-N 3.47Å; I179-I182 PolarHBondContact O-N 3.28Å; I179-R183 VanDerWaalsContact CG2-CZ 3.41Å; I179-R183 PolarHBondContact O-N 2.97Å; I179-R183 VanDerWaalsContact O-N 3.12Å
180E57.7Low76.4Confident33 Ų3364.9 Ų64.915%0.15432%0.317CS..G310 helixtrans-56.9-34.8171.6-67.5-71.511100112.2P174 Q177 W178 I182 R183 S188P174-E180 WeakPolarHBondContact O-CG 3.36Å; Q177-E180 HydrophobicContact CB-CG 4.36Å; Q177-E180 WeakPolarHBondContact O-CB 3.24Å; Q177-E180 WeakPolarHBondContact O-CG 3.3Å; Q177-E180 PolarHBondContact O-N 3.41Å; W178-E180 PolarHBondContact O-N 3.1Å; E180-I182 PolarHBondContact O-N 2.91Å; E180-R183 PolarHBondContact O-N 3.37Å; E180-R183 WeakPolarHBondContact OE1-CD 3.24Å; E180-R183 IonicContact OE1-CZ 3.9Å; E180-R183 IonicContact OE1-NE 3.89Å; E180-R183 IonicContact OE1-NH1 3.58Å; E180-R183 PolarHBondContact OE1-NH1 3.38Å; E180-S188 WeakPolarHBondContact OE2-CB 3.44Å; E180-S188 PolarHBondContact OE2-OG 3.16Å
181K62.6Low76.3Confident191 Ų19163.7 Ų63.783%0.8332%0.316SS*.G310 helixtrans-63.9-3.4176.5-57.9176.8-178.2175.90113.2W178 I179W178-K181 WeakPolarHBondContact O-CB 3.38Å; W178-K181 PolarHBondContact O-N 3.29Å; I179-K181 PolarHBondContact O-N 3.47Å
182I70.9Confident76.2Confident133 Ų13361.9 Ų61.968%0.68231%0.306SS*.THydrogen-bonded Turntrans-124.8-18.4178.2-47.1178.8000111.4W178 I179 E180W178-I182 HydrophobicContact CZ3-CD1 3.88Å; I179-I182 PolarHBondContact O-N 3.28Å; E180-I182 PolarHBondContact O-N 2.91Å
183R73.9Confident76.3Confident83 Ų8357.4 Ų57.431%0.31328%0.282SS..SBendtrans-77.8159.5176.1-74.5167.7174.7159.45.2110.9I179 E180 A187I179-R183 VanDerWaalsContact CG2-CZ 3.41Å; I179-R183 PolarHBondContact O-N 2.97Å; I179-R183 VanDerWaalsContact O-N 3.12Å; E180-R183 PolarHBondContact O-N 3.37Å; E180-R183 WeakPolarHBondContact OE1-CD 3.24Å; E180-R183 IonicContact OE1-CZ 3.9Å; E180-R183 IonicContact OE1-NE 3.89Å; E180-R183 IonicContact OE1-NH1 3.58Å; E180-R183 PolarHBondContact OE1-NH1 3.38Å; R183-A187 HydrophobicContact CB-CB 4.43Å
184T79.4Confident76.6Confident93 Ų9361.7 Ų61.757%0.57130%0.298SS*.  trans-84.4152.8164.359.20000109.6R186 A187 S188T184-R186 PolarHBondContact O-N 2.94Å; T184-A187 PolarHBondContact O-N 2.95Å; T184-A187 WeakPolarHBondContact OG1-CB 3.45Å; T184-A187 PolarHBondContact OG1-N 2.84Å; T184-S188 PolarHBondContact O-N 3.25Å
185S77.9Confident77Confident63 Ų6361.9 Ų61.944%0.44130%0.298SS..Hα-helixtrans-52.5-42.3177.8-24.80000111.6A187 S188 N189 E1196S185-A187 PolarHBondContact O-N 3.41Å; S185-S188 WeakPolarHBondContact O-CB 3.27Å; S185-S188 PolarHBondContact O-N 2.87Å; S185-S188 VanDerWaalsContact O-N 3.17Å; S185-N189 WeakPolarHBondContact O-CB 3.41Å; S185-N189 PolarHBondContact O-N 2.82Å; S185-N189 PolarHBondContact O-ND2 2.74Å; S185-E1196 WeakPolarHBondContact CB-OE1 3.45Å; S185-E1196 WeakPolarHBondContact CB-OE2 3.41Å; S185-E1196 PolarHBondContact OG-OE1 3.37Å
186R82.2Confident77.7Confident45 Ų4559.8 Ų59.817%0.1729%0.288CS..Hα-helixtrans-50.3-51171.8174.8175.5-66.7-129.7-9.3112.8T85 D113 M115 H116 T184 N189 E190T85-R186 PolarHBondContact O-NH1 3.35Å; T85-R186 WeakPolarHBondContact OG1-CD 3.39Å; T85-R186 PolarHBondContact OG1-NH1 3.28Å; D113-R186 VanDerWaalsContact CG-NH2 3.26Å; D113-R186 IonicContact OD1-CZ 3.5Å; D113-R186 IonicContact OD1-NE 2.8Å; D113-R186 IonicContact OD1-NH1 3.71Å; D113-R186 PolarHBondContact OD1-NH1 2.98Å; D113-R186 IonicContact OD1-NH2 3.13Å; D113-R186 PolarHBondContact OD1-NH2 2.79Å; D113-R186 VanDerWaalsContact OD1-NH2 3.07Å; D113-R186 IonicContact OD2-CZ 3.25Å; D113-R186 IonicContact OD2-NH1 2.67Å; D113-R186 IonicContact OD2-NH2 2.75Å; D113-R186 PolarHBondContact OD2-NH2 2.89Å; M115-R186 HydrophobicContact CG-CB 4.49Å; H116-R186 PolarHBondContact ND1-NH2 2.82Å; T184-R186 PolarHBondContact O-N 2.94Å; R186-N189 PolarHBondContact O-N 3.47Å; R186-E190 WeakPolarHBondContact CG-OE1 3.47Å; R186-E190 WeakPolarHBondContact O-CG 3.45Å; R186-E190 PolarHBondContact O-N 2.87Å
187A82.2Confident78.8Confident37 Ų3756.9 Ų56.931%0.30628%0.278SS..Hα-helixtrans-70.1-30.2-178.900000113.1R183 T184 S185 A191R183-A187 HydrophobicContact CB-CB 4.43Å; T184-A187 PolarHBondContact O-N 2.95Å; T184-A187 WeakPolarHBondContact OG1-CB 3.45Å; T184-A187 PolarHBondContact OG1-N 2.84Å; S185-A187 PolarHBondContact O-N 3.41Å; A187-A191 PolarHBondContact O-N 2.87Å
188S83.1Confident80Confident5 Ų557.9 Ų57.94%0.03528%0.279CS..Hα-helixtrans-66.8-54.9170.4178.10000111.7E180 T184 S185 E190 A191 R192E180-S188 WeakPolarHBondContact OE2-CB 3.44Å; E180-S188 PolarHBondContact OE2-OG 3.16Å; T184-S188 PolarHBondContact O-N 3.25Å; S185-S188 WeakPolarHBondContact O-CB 3.27Å; S185-S188 PolarHBondContact O-N 2.87Å; S185-S188 VanDerWaalsContact O-N 3.17Å; S188-E190 PolarHBondContact O-N 3.03Å; S188-A191 WeakPolarHBondContact O-CA 3.17Å; S188-A191 WeakPolarHBondContact O-CB 3.46Å; S188-A191 PolarHBondContact O-N 3.35Å; S188-R192 PolarHBondContact O-N 2.88Å
189N86.3Confident81.8Confident1 Ų149.1 Ų49.11%0.00525%0.246CC..Hα-helixtrans-52.3-42.2177.6-66.4-29000111.5T114 S185 R186 Q193 V1194 E1196 Q1253T114-N189 HydrophobicContact CG2-CB 3.92Å; S185-N189 WeakPolarHBondContact O-CB 3.41Å; S185-N189 PolarHBondContact O-N 2.82Å; S185-N189 PolarHBondContact O-ND2 2.74Å; R186-N189 PolarHBondContact O-N 3.47Å; N189-Q193 WeakPolarHBondContact O-CG 3.43Å; N189-Q193 PolarHBondContact O-N 3.15Å; N189-V1194 HydrophobicContact CB-CB 4.17Å; N189-V1194 HydrophobicContact CB-CG1 3.69Å; N189-V1194 VanDerWaalsContact CG-CG1 3.48Å; N189-V1194 VanDerWaalsContact OD1-CG1 3.27Å; N189-V1194 WeakPolarHBondContact OD1-CG1 3.41Å; N189-E1196 PolarHBondContact ND2-OE2 2.85Å; N189-Q1253 PolarHBondContact OD1-NE2 2.84Å
190E85.4Confident83.2Confident26 Ų2646.6 Ų46.612%0.12123%0.234CC..Hα-helixtrans-61.6-43.4172.5-77.2175.5-12000113.7K73 R88 R186 S188 R194K73-E190 IonicContact NZ-OE2 2.68Å; K73-E190 PolarHBondContact NZ-OE2 3.04Å; R88-E190 IonicContact CZ-OE1 2.71Å; R88-E190 VanDerWaalsContact CZ-OE1 3.27Å; R88-E190 IonicContact CZ-OE2 3.34Å; R88-E190 IonicContact NE-OE1 2.63Å; R88-E190 IonicContact NE-OE2 2.77Å; R88-E190 PolarHBondContact NE-OE2 2.98Å; R88-E190 IonicContact NH2-OE1 3.07Å; R88-E190 PolarHBondContact NH2-OE1 3.43Å; R88-E190 IonicContact NH2-OE2 3.16Å; R88-E190 PolarHBondContact NH2-OE2 3.04Å; R186-E190 WeakPolarHBondContact CG-OE1 3.47Å; R186-E190 WeakPolarHBondContact O-CG 3.45Å; R186-E190 PolarHBondContact O-N 2.87Å; S188-E190 PolarHBondContact O-N 3.03Å; E190-R194 WeakPolarHBondContact O-CB 2.97Å; E190-R194 PolarHBondContact O-N 2.79Å
191A87.2Confident84.8Confident30 Ų3045.2 Ų45.225%0.24823%0.228CC..Hα-helixtrans-64.7-41.3179.100000111.2P174 A187 S188 R194 L195P174-A191 HydrophobicContact CB-CB 3.79Å; P174-A191 HydrophobicContact CG-CB 3.99Å; A187-A191 PolarHBondContact O-N 2.87Å; S188-A191 WeakPolarHBondContact O-CA 3.17Å; S188-A191 WeakPolarHBondContact O-CB 3.46Å; S188-A191 PolarHBondContact O-N 3.35Å; A191-R194 PolarHBondContact O-N 2.85Å; A191-L195 WeakPolarHBondContact O-CB 3.49Å; A191-L195 PolarHBondContact O-N 3.14Å
192R88.3Confident86.3Confident9 Ų937.6 Ų37.63%0.03420%0.196CC..Hα-helixtrans-63.2-51.1174.9-60.2-175.590.3-175.310.9111.9D173 P174 E175 S188 R194 L195 F196D173-R192 IonicContact OD1-CZ 2.75Å; D173-R192 IonicContact OD1-NE 3.27Å; D173-R192 PolarHBondContact OD1-NE 3.08Å; D173-R192 IonicContact OD1-NH2 2.7Å; D173-R192 IonicContact OD2-CZ 3.61Å; D173-R192 IonicContact OD2-NE 2.86Å; D173-R192 PolarHBondContact OD2-NE 3.21Å; D173-R192 IonicContact OD2-NH2 3.59Å; D173-R192 PolarHBondContact OD2-NH2 2.82Å; P174-R192 HydrophobicContact CB-CG 4.01Å; P174-R192 HydrophobicContact CG-CG 4.18Å; E175-R192 IonicContact OE1-CZ 2.82Å; E175-R192 IonicContact OE1-NE 3.54Å; E175-R192 IonicContact OE1-NH1 2.7Å; E175-R192 PolarHBondContact OE1-NH1 3Å; E175-R192 IonicContact OE2-CZ 3.09Å; E175-R192 IonicContact OE2-NE 2.96Å; E175-R192 IonicContact OE2-NH1 2.82Å; E175-R192 PolarHBondContact OE2-NH1 2.81Å; E175-R192 IonicContact OE2-NH2 2.75Å; E175-R192 PolarHBondContact OE2-NH2 3.34Å; S188-R192 PolarHBondContact O-N 2.88Å; R192-R194 VanDerWaalsContact C-N 3.31Å; R192-R194 PolarHBondContact O-N 3.18Å; R192-L195 PolarHBondContact O-N 3.22Å; R192-L195 VanDerWaalsContact O-N 3.13Å; R192-F196 HydrophobicContact CB-CE2 4.08Å; R192-F196 HydrophobicContact CB-CZ 4.12Å; R192-F196 VanDerWaalsContact O-CG 3.26Å; R192-F196 WeakPolarHBondContact O-CG 3.33Å; R192-F196 PolarHBondContact O-N 2.82Å
193Q89.8Confident87.4Confident7 Ų731.2 Ų31.23%0.03316%0.163CC..Hα-helixtrans-54.5-46.6176.2-76.9-167.1-65.900112.2Y90 N189 F196 S197 F1192 V1194Y90-Q193 HydrophobicContact CE2-CB 4.43Å; Y90-Q193 WeakPolarHBondContact OH-CB 3.09Å; Y90-Q193 PolarHBondContact OH-OE1 3.47Å; N189-Q193 WeakPolarHBondContact O-CG 3.43Å; N189-Q193 PolarHBondContact O-N 3.15Å; Q193-F196 PolarHBondContact O-N 2.94Å; Q193-S197 WeakPolarHBondContact O-CB 3.23Å; Q193-S197 PolarHBondContact O-N 2.83Å; Q193-S197 VanDerWaalsContact O-N 3.11Å; Q193-F1192 PolarHBondContact NE2-O 2.86Å; Q193-V1194 HydrophobicContact CG-CB 4.05Å; Q193-V1194 HydrophobicContact CG-CG2 3.75Å
194R89.5Confident88.3Confident93 Ų9327.5 Ų27.535%0.35115%0.149SC..Hα-helixtrans-64.6-41.8178.2-174.2176.3-179.2172.54111.7G34 E68 E190 A191 R192 R198G34-R194 PolarHBondContact O-NH2 3.36Å; E68-R194 IonicContact OE2-CZ 2.79Å; E68-R194 IonicContact OE2-NE 2.84Å; E68-R194 IonicContact OE2-NH2 2.88Å; E68-R194 PolarHBondContact OE2-NH2 2.98Å; E190-R194 WeakPolarHBondContact O-CB 2.97Å; E190-R194 PolarHBondContact O-N 2.79Å; A191-R194 PolarHBondContact O-N 2.85Å; R192-R194 VanDerWaalsContact C-N 3.31Å; R192-R194 PolarHBondContact O-N 3.18Å; R194-R198 WeakPolarHBondContact O-CB 3.34Å; R194-R198 PolarHBondContact O-N 2.8Å; R194-R198 VanDerWaalsContact O-N 3.07Å
195L91.2Very high88.9Confident14 Ų1424 Ų247%0.07313%0.126CC..Hα-helixtrans-62.2-48.7177.2177.762.9000111.3N171 D172 P174 A191 R192 S197 R198 L199N171-L195 HydrophobicContact CB-CD1 4.24Å; N171-L195 HydrophobicContact CB-CD2 4.44Å; D172-L195 VanDerWaalsContact O-CD2 3.22Å; D172-L195 WeakPolarHBondContact O-CD2 3.37Å; P174-L195 HydrophobicContact CG-CB 4.44Å; P174-L195 HydrophobicContact CG-CD2 4.17Å; A191-L195 WeakPolarHBondContact O-CB 3.49Å; A191-L195 PolarHBondContact O-N 3.14Å; R192-L195 PolarHBondContact O-N 3.22Å; R192-L195 VanDerWaalsContact O-N 3.13Å; L195-S197 PolarHBondContact O-N 2.8Å; L195-R198 VanDerWaalsContact CD1-NH2 3.33Å; L195-R198 CarbonylContact O-C 3.51Å; L195-R198 WeakPolarHBondContact O-CA 3.4Å; L195-R198 WeakPolarHBondContact O-CB 3.41Å; L195-R198 PolarHBondContact O-N 2.95Å; L195-L199 HydrophobicContact CD1-CD1 3.92Å; L195-L199 HydrophobicContact CD1-CD2 4.13Å; L195-L199 HydrophobicContact CD1-CG 3.78Å; L195-L199 HydrophobicContact CD2-CD1 4.22Å; L195-L199 HydrophobicContact CG-CD1 3.79Å; L195-L199 HydrophobicContact CG-CG 4.06Å; L195-L199 WeakPolarHBondContact O-CG 3.35Å; L195-L199 PolarHBondContact O-N 2.86Å
196F91.5Very high89.7Confident0 Ų023.3 Ų23.30%012%0.115CC..Hα-helixtrans-66-39.2-175-59.2-16.3000112R192 Q193 R198 L199 S200 F226 L228 V234 F1192 L1255R192-F196 HydrophobicContact CB-CE2 4.08Å; R192-F196 HydrophobicContact CB-CZ 4.12Å; R192-F196 VanDerWaalsContact O-CG 3.26Å; R192-F196 WeakPolarHBondContact O-CG 3.33Å; R192-F196 PolarHBondContact O-N 2.82Å; Q193-F196 PolarHBondContact O-N 2.94Å; F196-R198 VanDerWaalsContact C-N 3.32Å; F196-R198 PolarHBondContact O-N 2.83Å; F196-L199 PolarHBondContact O-N 2.96Å; F196-S200 WeakPolarHBondContact O-CB 3.44Å; F196-S200 PolarHBondContact O-N 3.07Å; F196-F226 HydrophobicContact CB-CD1 4.33Å; F196-F226 HydrophobicContact CB-CE1 3.56Å; F196-F226 HydrophobicContact CB-CZ 4.18Å; F196-F226 HydrophobicContact CD1-CD1 4.16Å; F196-F226 AromaticContact CD1-CE1 3.86Å; F196-F226 HydrophobicContact CD1-CE1 3.86Å; F196-F226 HydrophobicContact CG-CD1 4.11Å; F196-F226 AromaticContact CG-CE1 3.76Å; F196-F226 HydrophobicContact CG-CE1 3.76Å; F196-L228 HydrophobicContact CZ-CD2 3.98Å; F196-V234 HydrophobicContact CE1-CB 4.33Å; F196-V234 HydrophobicContact CE1-CG1 4.21Å; F196-V234 HydrophobicContact CE1-CG2 3.78Å; F196-V234 HydrophobicContact CZ-CG2 4.19Å; F196-F1192 HydrophobicContact CB-CB 4.1Å; F196-F1192 HydrophobicContact CB-CD1 3.7Å; F196-F1192 HydrophobicContact CB-CD2 4.04Å; F196-F1192 HydrophobicContact CB-CE1 4.2Å; F196-F1192 HydrophobicContact CB-CG 3.63Å; F196-F1192 HydrophobicContact CD2-CD1 4.18Å; F196-F1192 HydrophobicContact CG-CD1 4.36Å; F196-L1255 HydrophobicContact CD2-CD1 3.93Å; F196-L1255 HydrophobicContact CD2-CD2 4.33Å; F196-L1255 HydrophobicContact CE2-CD1 3.8Å; F196-L1255 HydrophobicContact CE2-CD2 3.71Å; F196-L1255 HydrophobicContact CE2-CG 4.44Å
197S90.5Very high90.2Very high27 Ų2721.2 Ų21.219%0.18911%0.107CC..Hα-helixtrans-57.9-43.4169.2179.70000112A69 Q193 L195 G201A69-S197 VanDerWaalsContact CB-OG 3.3Å; A69-S197 WeakPolarHBondContact CB-OG 3.43Å; Q193-S197 WeakPolarHBondContact O-CB 3.23Å; Q193-S197 PolarHBondContact O-N 2.83Å; Q193-S197 VanDerWaalsContact O-N 3.11Å; L195-S197 PolarHBondContact O-N 2.8Å; S197-G201 PolarHBondContact O-N 2.95Å; S197-G201 VanDerWaalsContact O-N 3.17Å
198R92.7Very high90.7Very high79 Ų7919.4 Ų19.430%0.2989%0.092SC..Hα-helixtrans-67.7-42.3178.6-168.3-168.170.2174.31.8113.2D67 E68 N171 R194 L195 F196 G201 E202D67-R198 VanDerWaalsContact O-CA 3.27Å; D67-R198 WeakPolarHBondContact O-CA 3.49Å; D67-R198 WeakPolarHBondContact O-CG 3.33Å; E68-R198 WeakPolarHBondContact OE1-CD 3.1Å; N171-R198 PolarHBondContact OD1-NH2 2.56Å; R194-R198 WeakPolarHBondContact O-CB 3.34Å; R194-R198 PolarHBondContact O-N 2.8Å; R194-R198 VanDerWaalsContact O-N 3.07Å; L195-R198 VanDerWaalsContact CD1-NH2 3.33Å; L195-R198 CarbonylContact O-C 3.51Å; L195-R198 WeakPolarHBondContact O-CA 3.4Å; L195-R198 WeakPolarHBondContact O-CB 3.41Å; L195-R198 PolarHBondContact O-N 2.95Å; F196-R198 VanDerWaalsContact C-N 3.32Å; F196-R198 PolarHBondContact O-N 2.83Å; R198-G201 PolarHBondContact O-N 3.29Å; R198-E202 PolarHBondContact O-N 3.08Å
199L93Very high91.1Very high4 Ų421 Ų212%0.02110%0.1CC..Hα-helixtrans-66.7-37.7178.5-66.5177.9000111.7V169 N171 L195 F196 L203 V236V169-L199 HydrophobicContact CG2-CB 4.15Å; V169-L199 HydrophobicContact CG2-CD2 4.07Å; N171-L199 HydrophobicContact CB-CD1 4.16Å; N171-L199 HydrophobicContact CB-CD2 3.99Å; L195-L199 HydrophobicContact CD1-CD1 3.92Å; L195-L199 HydrophobicContact CD1-CD2 4.13Å; L195-L199 HydrophobicContact CD1-CG 3.78Å; L195-L199 HydrophobicContact CD2-CD1 4.22Å; L195-L199 HydrophobicContact CG-CD1 3.79Å; L195-L199 HydrophobicContact CG-CG 4.06Å; L195-L199 WeakPolarHBondContact O-CG 3.35Å; L195-L199 PolarHBondContact O-N 2.86Å; F196-L199 PolarHBondContact O-N 2.96Å; L199-L203 WeakPolarHBondContact O-CB 3.37Å; L199-L203 PolarHBondContact O-N 2.8Å; L199-V236 HydrophobicContact CB-CG2 3.96Å; L199-V236 HydrophobicContact CD1-CG2 3.73Å; L199-V236 HydrophobicContact CG-CG2 4.48Å
200S92.6Very high91.4Very high5 Ų523.6 Ų23.64%0.03511%0.111CC..Hα-helixtrans-60-47.5171.9-175.10000111.6F196 L203 Q204F196-S200 WeakPolarHBondContact O-CB 3.44Å; F196-S200 PolarHBondContact O-N 3.07Å; S200-L203 PolarHBondContact O-N 3.44Å; S200-Q204 WeakPolarHBondContact O-CB 3.37Å; S200-Q204 WeakPolarHBondContact O-CG 3.37Å; S200-Q204 PolarHBondContact O-N 3.32Å; S200-Q204 PolarHBondContact OG-NE2 3.08Å
201G91.6Very high91.7Very high4 Ų422.4 Ų22.44%0.04111%0.106CC..Hα-helixtrans-61.1-47.2176.500000113.5Q66 S197 R198 L203 Q204 R205Q66-G201 VanDerWaalsContact O-CA 3.29Å; Q66-G201 WeakPolarHBondContact O-CA 3.48Å; S197-G201 PolarHBondContact O-N 2.95Å; S197-G201 VanDerWaalsContact O-N 3.17Å; R198-G201 PolarHBondContact O-N 3.29Å; G201-L203 PolarHBondContact O-N 3.42Å; G201-Q204 PolarHBondContact O-N 3.32Å; G201-R205 WeakPolarHBondContact O-CB 3.39Å; G201-R205 PolarHBondContact O-N 3.48Å
202E93.1Very high91.8Very high31 Ų3124 Ų2415%0.14511%0.11CC..Hα-helixtrans-61.6-42.2177.2175.2163.2159.300112.2R63 D67 V169 R198 R205 K206R63-E202 IonicContact NH2-OE1 3.63Å; R63-E202 IonicContact NH2-OE2 2.75Å; R63-E202 PolarHBondContact NH2-OE2 3.49Å; D67-E202 WeakPolarHBondContact OD1-CA 3.3Å; V169-E202 HydrophobicContact CG1-CG 4.47Å; R198-E202 PolarHBondContact O-N 3.08Å; E202-R205 PolarHBondContact O-N 3.07Å; E202-K206 HydrophobicContact CG-CD 4.39Å; E202-K206 WeakPolarHBondContact O-CG 3.45Å; E202-K206 PolarHBondContact O-N 2.93Å; E202-K206 WeakPolarHBondContact OE1-CE 3.24Å; E202-K206 IonicContact OE1-NZ 2.93Å; E202-K206 PolarHBondContact OE1-NZ 2.99Å
203L94.1Very high91.8Very high0 Ų030 Ų300%014%0.143CC..Hα-helixtrans-63.7-50.1176.6-176.486.4000111.6E167 V169 L199 S200 G201 R205 K206 M207 L224 V236E167-L203 HydrophobicContact CB-CD1 3.77Å; E167-L203 HydrophobicContact CG-CD1 3.93Å; V169-L203 HydrophobicContact CG1-CD1 4.15Å; V169-L203 HydrophobicContact CG2-CB 4.37Å; V169-L203 HydrophobicContact CG2-CD1 4.31Å; L199-L203 WeakPolarHBondContact O-CB 3.37Å; L199-L203 PolarHBondContact O-N 2.8Å; S200-L203 PolarHBondContact O-N 3.44Å; G201-L203 PolarHBondContact O-N 3.42Å; L203-R205 VanDerWaalsContact C-N 3.28Å; L203-R205 PolarHBondContact O-N 2.6Å; L203-K206 PolarHBondContact O-N 2.88Å; L203-K206 VanDerWaalsContact O-N 3.17Å; L203-M207 HydrophobicContact CG-SD 4.28Å; L203-M207 WeakPolarHBondContact O-CG 3.28Å; L203-M207 PolarHBondContact O-N 3.31Å; L203-L224 HydrophobicContact CD2-CD1 3.37Å; L203-V236 HydrophobicContact CD2-CG1 4.08Å
204Q93.1Very high91.7Very high4 Ų431.5 Ų31.52%0.01915%0.15CC..Hα-helixtrans-58.2-39.8176.3-74.1-177.444.400111.6F146 S200 G201 G208 Y222 N1188 D1190F146-Q204 HydrophobicContact CE1-CG 4.46Å; F146-Q204 HydrophobicContact CE2-CB 4.37Å; F146-Q204 HydrophobicContact CZ-CB 4.23Å; F146-Q204 WeakPolarHBondContact CZ-O 3.29Å; S200-Q204 WeakPolarHBondContact O-CB 3.37Å; S200-Q204 WeakPolarHBondContact O-CG 3.37Å; S200-Q204 PolarHBondContact O-N 3.32Å; S200-Q204 PolarHBondContact OG-NE2 3.08Å; G201-Q204 PolarHBondContact O-N 3.32Å; Q204-G208 PolarHBondContact O-N 2.99Å; Q204-Y222 WeakPolarHBondContact CG-OH 3.48Å; Q204-N1188 PolarHBondContact NE2-ND2 2.72Å; Q204-N1188 PolarHBondContact OE1-ND2 3.43Å; Q204-D1190 PolarHBondContact NE2-OD2 3.31Å; Q204-D1190 VanDerWaalsContact NE2-OD2 3.11Å
205R92.1Very high91.5Very high20 Ų2029 Ų298%0.07515%0.154CC..Hα-helixtrans-63.8-47.4175.1-174.7175.848.362.710.3111.6Q66 D67 Q139 G201 E202 L203 G208 L209Q66-R205 HydrophobicContact CB-CB 4.24Å; Q66-R205 HydrophobicContact CB-CG 4.46Å; D67-R205 VanDerWaalsContact CG-NH2 3.26Å; D67-R205 IonicContact OD1-CZ 3.91Å; D67-R205 IonicContact OD1-NE 3.81Å; D67-R205 PolarHBondContact OD1-NE 2.93Å; D67-R205 IonicContact OD1-NH2 3.44Å; D67-R205 PolarHBondContact OD1-NH2 3.35Å; D67-R205 IonicContact OD2-CZ 2.71Å; D67-R205 IonicContact OD2-NE 3.02Å; D67-R205 IonicContact OD2-NH2 3.6Å; D67-R205 PolarHBondContact OD2-NH2 3.43Å; Q139-R205 WeakPolarHBondContact O-CD 3.49Å; G201-R205 WeakPolarHBondContact O-CB 3.39Å; G201-R205 PolarHBondContact O-N 3.48Å; E202-R205 PolarHBondContact O-N 3.07Å; L203-R205 VanDerWaalsContact C-N 3.28Å; L203-R205 PolarHBondContact O-N 2.6Å; R205-G208 PolarHBondContact O-N 3.33Å; R205-L209 HydrophobicContact CG-CD1 4.49Å; R205-L209 WeakPolarHBondContact O-CG 3.45Å; R205-L209 PolarHBondContact O-N 2.83Å
206K93.5Very high91.4Very high49 Ų4928.7 Ų28.721%0.21315%0.154CC..Hα-helixtrans-62.9-48.9178.4-72-179.3-165.7169.20112.8E167 V169 E202 L203 G208 L209 K210E167-K206 HydrophobicContact CG-CB 3.75Å; E167-K206 HydrophobicContact CG-CD 4.11Å; E167-K206 WeakPolarHBondContact OE1-CD 3.42Å; V169-K206 HydrophobicContact CG1-CD 4.12Å; V169-K206 VanDerWaalsContact CG1-NZ 3.28Å; E202-K206 HydrophobicContact CG-CD 4.39Å; E202-K206 WeakPolarHBondContact O-CG 3.45Å; E202-K206 PolarHBondContact O-N 2.93Å; E202-K206 WeakPolarHBondContact OE1-CE 3.24Å; E202-K206 IonicContact OE1-NZ 2.93Å; E202-K206 PolarHBondContact OE1-NZ 2.99Å; L203-K206 PolarHBondContact O-N 2.88Å; L203-K206 VanDerWaalsContact O-N 3.17Å; K206-G208 VanDerWaalsContact C-N 3.29Å; K206-G208 PolarHBondContact O-N 2.71Å; K206-L209 WeakPolarHBondContact O-CB 3.48Å; K206-L209 PolarHBondContact O-N 2.85Å; K206-K210 PolarHBondContact O-N 3.45Å
207M94Very high91.4Very high0 Ų030.9 Ų30.90%017%0.165CC..Hα-helixtrans-58.8-41.7174.6-70.2-17483.600111.7F146 I165 E167 L203 L209 K210 V211 L219 Y222 G238F146-M207 HydrophobicContact CE1-CB 3.99Å; F146-M207 HydrophobicContact CE1-SD 4.47Å; F146-M207 HydrophobicContact CZ-CB 4.04Å; I165-M207 HydrophobicContact CG2-CB 4.38Å; I165-M207 HydrophobicContact CG2-CE 3.98Å; E167-M207 HydrophobicContact CB-CG 3.39Å; E167-M207 HydrophobicContact CB-SD 4.34Å; E167-M207 HydrophobicContact CG-CG 4.39Å; L203-M207 HydrophobicContact CG-SD 4.28Å; L203-M207 WeakPolarHBondContact O-CG 3.28Å; L203-M207 PolarHBondContact O-N 3.31Å; M207-L209 PolarHBondContact O-N 2.85Å; M207-K210 WeakPolarHBondContact O-CB 3.38Å; M207-K210 PolarHBondContact O-N 3.43Å; M207-V211 WeakPolarHBondContact O-CG2 3.31Å; M207-V211 PolarHBondContact O-N 3.45Å; M207-L219 HydrophobicContact CE-CD2 3.62Å; M207-L219 HydrophobicContact SD-CD2 4.49Å; M207-Y222 HydrophobicContact CE-CD2 4.39Å; M207-Y222 HydrophobicContact CE-CE2 4.35Å; M207-Y222 HydrophobicContact SD-CD2 4.32Å; M207-Y222 HydrophobicContact SD-CE2 3.72Å; M207-G238 VanDerWaalsContact CE-C 3.41Å; M207-G238 VanDerWaalsContact CE-O 3.28Å; M207-G238 WeakPolarHBondContact CE-O 3.14Å
208G92.7Very high91.5Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-65.6-36.6178.300000112.8V144 Q204 R205 K206 V211 L212V144-G208 WeakPolarHBondContact CG2-O 3.48Å; Q204-G208 PolarHBondContact O-N 2.99Å; R205-G208 PolarHBondContact O-N 3.33Å; K206-G208 VanDerWaalsContact C-N 3.29Å; K206-G208 PolarHBondContact O-N 2.71Å; G208-V211 PolarHBondContact O-N 2.99Å; G208-L212 WeakPolarHBondContact O-CG 3.41Å; G208-L212 PolarHBondContact O-N 2.89Å
209L90.8Very high91.6Very high37 Ų3725.8 Ų25.819%0.19414%0.142CC..Hα-helixtrans-62.5-44.5170.6-71.6169.8000111.5H138 S140 R205 K206 M207 V211 L212 N213H138-L209 WeakPolarHBondContact O-CD2 3.43Å; S140-L209 WeakPolarHBondContact O-CD2 3.46Å; R205-L209 HydrophobicContact CG-CD1 4.49Å; R205-L209 WeakPolarHBondContact O-CG 3.45Å; R205-L209 PolarHBondContact O-N 2.83Å; K206-L209 WeakPolarHBondContact O-CB 3.48Å; K206-L209 PolarHBondContact O-N 2.85Å; M207-L209 PolarHBondContact O-N 2.85Å; L209-V211 PolarHBondContact O-N 3.49Å; L209-L212 PolarHBondContact O-N 3.43Å; L209-N213 WeakPolarHBondContact O-CB 3.46Å; L209-N213 PolarHBondContact O-N 2.86Å; L209-N213 PolarHBondContact O-ND2 2.91Å
210K92Very high91.7Very high57 Ų5725.6 Ų25.625%0.24814%0.141CC..Hα-helixtrans-56.5-48.6172.7-73.8-174.3170.6-177.80111.7I165 Q166 E167 K206 M207 L212 N213 I214 E296I165-K210 HydrophobicContact CD1-CB 3.97Å; I165-K210 HydrophobicContact CD1-CD 4.42Å; I165-K210 HydrophobicContact CG2-CB 4.11Å; I165-K210 HydrophobicContact CG2-CD 4.23Å; Q166-K210 WeakPolarHBondContact O-CD 3.21Å; Q166-K210 PolarHBondContact O-NZ 3.16Å; E167-K210 WeakPolarHBondContact OE2-CE 3.25Å; E167-K210 IonicContact OE2-NZ 2.71Å; E167-K210 PolarHBondContact OE2-NZ 3.02Å; K206-K210 PolarHBondContact O-N 3.45Å; M207-K210 WeakPolarHBondContact O-CB 3.38Å; M207-K210 PolarHBondContact O-N 3.43Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 3.49Å; K210-N213 PolarHBondContact O-N 2.76Å; K210-N213 VanDerWaalsContact O-N 3.16Å; K210-I214 PolarHBondContact O-N 2.87Å; K210-E296 WeakPolarHBondContact CE-OE1 3.39Å; K210-E296 IonicContact NZ-OE1 3.52Å; K210-E296 PolarHBondContact NZ-OE1 3.4Å; K210-E296 IonicContact NZ-OE2 3.11Å
211V92.5Very high91.7Very high0 Ų025.4 Ų25.40%014%0.139CC..Hα-helixtrans-58.6-41.1178.11720000112.2V144 I165 M207 G208 L209 I214 G215 G216 L219 A242V144-V211 HydrophobicContact CG1-CB 4.23Å; V144-V211 HydrophobicContact CG1-CG1 3.92Å; V144-V211 HydrophobicContact CG2-CB 4.23Å; V144-V211 HydrophobicContact CG2-CG1 4.04Å; I165-V211 HydrophobicContact CG1-CG2 4.21Å; I165-V211 HydrophobicContact CG2-CG2 4.36Å; M207-V211 WeakPolarHBondContact O-CG2 3.31Å; M207-V211 PolarHBondContact O-N 3.45Å; G208-V211 PolarHBondContact O-N 2.99Å; L209-V211 PolarHBondContact O-N 3.49Å; V211-I214 WeakPolarHBondContact O-CG1 3.45Å; V211-G215 PolarHBondContact O-N 2.75Å; V211-G216 WeakPolarHBondContact O-CA 3.28Å; V211-G216 PolarHBondContact O-N 3.3Å; V211-L219 HydrophobicContact CG2-CD1 3.84Å; V211-A242 HydrophobicContact CG2-CB 4.15Å
212L89.2Confident91.9Very high64 Ų6425.2 Ų25.234%0.33514%0.138SC..Hα-helixtrans-66.9-41.5175.7-70.6173.3000112.2V144 G208 L209 K210 I214 G215V144-L212 HydrophobicContact CG2-CD1 4.22Å; V144-L212 HydrophobicContact CG2-CD2 3.73Å; V144-L212 HydrophobicContact CG2-CG 3.58Å; G208-L212 WeakPolarHBondContact O-CG 3.41Å; G208-L212 PolarHBondContact O-N 2.89Å; L209-L212 PolarHBondContact O-N 3.43Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 3.49Å; L212-I214 VanDerWaalsContact C-N 3.28Å; L212-I214 PolarHBondContact O-N 2.83Å; L212-G215 PolarHBondContact O-N 2.84Å
213N88.3Confident91.9Very high136 Ų13624.4 Ų24.473%0.72713%0.134SC*.Hα-helixtrans-62.3-34.1-179.2-70.1-21000112.5L209 K210 G215L209-N213 WeakPolarHBondContact O-CB 3.46Å; L209-N213 PolarHBondContact O-N 2.86Å; L209-N213 PolarHBondContact O-ND2 2.91Å; K210-N213 PolarHBondContact O-N 2.76Å; K210-N213 VanDerWaalsContact O-N 3.16Å; N213-G215 VanDerWaalsContact C-N 3.3Å
214I87.2Confident91.8Very high38 Ų3824.5 Ų24.520%0.19513%0.134CC..THydrogen-bonded Turntrans-87.39174.566.4175.4000113.8I162 I165 K210 V211 L212 A242I162-I214 HydrophobicContact CB-CD1 4.35Å; I162-I214 HydrophobicContact CG2-CB 4.13Å; I162-I214 HydrophobicContact CG2-CD1 3.73Å; I162-I214 HydrophobicContact CG2-CG1 4.01Å; I165-I214 HydrophobicContact CD1-CD1 3.74Å; I165-I214 HydrophobicContact CG1-CD1 3.76Å; K210-I214 PolarHBondContact O-N 2.87Å; V211-I214 WeakPolarHBondContact O-CG1 3.45Å; L212-I214 VanDerWaalsContact C-N 3.28Å; L212-I214 PolarHBondContact O-N 2.83Å; I214-A242 HydrophobicContact CD1-CB 3.5Å; I214-A242 VanDerWaalsContact CD1-CB 3.5Å
215G85.9Confident91.8Very high41 Ų4124.7 Ų24.742%0.42314%0.135SC..THydrogen-bonded Turntrans77.816175.800000115.5V211 L212 N213V211-G215 PolarHBondContact O-N 2.75Å; L212-G215 PolarHBondContact O-N 2.84Å; N213-G215 VanDerWaalsContact C-N 3.3Å
216G89.2Confident91.7Very high7 Ų724 Ų247%0.07213%0.133CC..  trans-81170.8172.500000113.3V211 V243V211-G216 WeakPolarHBondContact O-CA 3.28Å; V211-G216 PolarHBondContact O-N 3.3Å; G216-V243 WeakPolarHBondContact CA-O 3.34Å
217N91.2Very high91.6Very high45 Ų4522.2 Ų22.224%0.24113%0.125CC..  trans-140.41.6172.873.2-1.9000113.6V144 R145 V243 R244 L245V144-N217 WeakPolarHBondContact CA-O 3.47Å; R145-N217 PolarHBondContact N-O 2.9Å; N217-V243 PolarHBondContact N-O 3.36Å; N217-R244 WeakPolarHBondContact OD1-CA 3.46Å; N217-L245 PolarHBondContact ND2-O 2.9Å; N217-L245 PolarHBondContact OD1-N 3.01Å
218S92.9Very high91.3Very high0 Ų024 Ų240%014%0.135CC..EExtended strand (participates in β ladder)trans-153.3154.8174.1-58.90000111R145 V243R145-S218 CarbonylContact O-C 3.2Å; R145-S218 WeakPolarHBondContact O-CA 3.42Å; R145-S218 WeakPolarHBondContact O-CB 3.23Å; S218-V243 PolarHBondContact N-O 3.18Å; S218-V243 VanDerWaalsContact N-O 3.15Å; S218-V243 WeakPolarHBondContact O-CG2 3.49Å; S218-V243 PolarHBondContact O-N 2.95Å
219L94.3Very high91Very high0 Ų024.4 Ų24.40%014%0.137CC..EExtended strand (participates in β ladder)trans-117.3121.1172.9-166.379.7000108R145 F146 Y147 I165 M207 V211 Y222 T241 A242R145-L219 PolarHBondContact O-N 3.07Å; F146-L219 HydrophobicContact CD1-CB 4.16Å; F146-L219 HydrophobicContact CD1-CD2 3.67Å; F146-L219 HydrophobicContact CE1-CB 4.36Å; F146-L219 HydrophobicContact CE1-CD2 3.59Å; Y147-L219 WeakPolarHBondContact CB-O 3.41Å; Y147-L219 PolarHBondContact N-O 2.64Å; I165-L219 HydrophobicContact CB-CD1 4.07Å; I165-L219 HydrophobicContact CG2-CD1 4.44Å; M207-L219 HydrophobicContact CE-CD2 3.62Å; M207-L219 HydrophobicContact SD-CD2 4.49Å; V211-L219 HydrophobicContact CG2-CD1 3.84Å; L219-Y222 HydrophobicContact CD2-CD2 3.65Å; L219-Y222 HydrophobicContact CD2-CE2 4.47Å; L219-Y222 HydrophobicContact CD2-CG 4.22Å; L219-T241 WeakPolarHBondContact CA-O 3.33Å; L219-A242 HydrophobicContact CD1-CB 4.41Å
220I94.6Very high90.5Very high0 Ų023.7 Ų23.70%014%0.138CC..EExtended strand (participates in β ladder)trans-106146.9-179.7-68.1178.7000110Y147 C149 T151 Y222 T241 V243 L245 T301 I302Y147-I220 HydrophobicContact CD2-CG1 4.46Å; C149-I220 WeakPolarHBondContact O-CG2 3.25Å; T151-I220 VanDerWaalsContact O-CG2 3.23Å; T151-I220 WeakPolarHBondContact O-CG2 3.48Å; I220-Y222 VanDerWaalsContact C-N 3.28Å; I220-Y222 PolarHBondContact O-N 3.4Å; I220-T241 PolarHBondContact N-O 3.07Å; I220-T241 PolarHBondContact O-N 3.35Å; I220-V243 HydrophobicContact CD1-CG1 4.35Å; I220-V243 HydrophobicContact CD1-CG2 3.73Å; I220-V243 HydrophobicContact CG1-CG2 3.87Å; I220-L245 HydrophobicContact CD1-CD1 4.26Å; I220-L245 HydrophobicContact CD1-CD2 4.14Å; I220-T301 PolarHBondContact O-OG1 3.37Å; I220-I302 HydrophobicContact CG2-CD1 4.5Å; I220-I302 HydrophobicContact CG2-CG1 3.95Å
221G93.2Very high89.8Confident0 Ų027.1 Ų27.10%016%0.155CC..EExtended strand (participates in β ladder)trans58.943.9-176.400000110.9Y147 C149 T301Y147-G221 PolarHBondContact O-N 3.45Å; C149-G221 PolarHBondContact O-N 2.85Å; G221-T301 WeakPolarHBondContact O-CB 3.47Å; G221-T301 PolarHBondContact O-OG1 3.09Å
222Y95.4Very high89.2Confident1 Ų128.7 Ų28.70%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-63.9129172.5176.5-126.3000109.2F146 Y147 H148 Q204 M207 L219 I220 L224 I239F146-Y222 HydrophobicContact CB-CD1 4.36Å; F146-Y222 HydrophobicContact CD1-CD1 4.12Å; F146-Y222 AromaticContact CD1-CD2 3.91Å; F146-Y222 HydrophobicContact CD1-CD2 3.91Å; F146-Y222 HydrophobicContact CD1-CE1 4.28Å; F146-Y222 HydrophobicContact CD1-CE2 4.05Å; F146-Y222 AromaticContact CD1-CG 3.94Å; F146-Y222 HydrophobicContact CD1-CG 3.94Å; F146-Y222 HydrophobicContact CE1-CD2 4.35Å; F146-Y222 HydrophobicContact CE1-CE2 4.24Å; Y147-Y222 WeakPolarHBondContact O-CB 3.47Å; Y147-Y222 PolarHBondContact O-N 3.35Å; H148-Y222 AromaticContact CD2-CD1 3.85Å; H148-Y222 PolarHBondContact CD2-O 2.89Å; H148-Y222 AromaticContact CE1-CD1 3.92Å; H148-Y222 AromaticContact NE2-CD1 3.4Å; H148-Y222 WeakPolarHBondContact NE2-CD1 3.45Å; H148-Y222 AromaticContact NE2-CE1 3.77Å; Q204-Y222 WeakPolarHBondContact CG-OH 3.48Å; M207-Y222 HydrophobicContact CE-CD2 4.39Å; M207-Y222 HydrophobicContact CE-CE2 4.35Å; M207-Y222 HydrophobicContact SD-CD2 4.32Å; M207-Y222 HydrophobicContact SD-CE2 3.72Å; L219-Y222 HydrophobicContact CD2-CD2 3.65Å; L219-Y222 HydrophobicContact CD2-CE2 4.47Å; L219-Y222 HydrophobicContact CD2-CG 4.22Å; I220-Y222 VanDerWaalsContact C-N 3.28Å; I220-Y222 PolarHBondContact O-N 3.4Å; Y222-L224 HydrophobicContact CE1-CB 4.22Å; Y222-I239 WeakPolarHBondContact CA-O 3.18Å
223Q93.5Very high89.1Confident14 Ų1425.7 Ų25.77%0.06515%0.149CC..EExtended strand (participates in β ladder)trans-128.4128.5176.7-66.9167.797.800108.1G238 I239 Y362Q223-G238 WeakPolarHBondContact O-CA 3.25Å; Q223-I239 HydrophobicContact CB-CD1 4.45Å; Q223-I239 HydrophobicContact CB-CG1 3.87Å; Q223-I239 PolarHBondContact N-O 3.28Å; Q223-I239 PolarHBondContact O-N 3.33Å; Q223-Y362 PolarHBondContact NE2-O 3.07Å
224L93.1Very high89.1Confident1 Ų119.2 Ų19.21%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-120.4114.1-173.2176.457.7000109.8L203 Y222 F226 V236 R237 D1190 F1192 S1239L203-L224 HydrophobicContact CD2-CD1 3.37Å; Y222-L224 HydrophobicContact CE1-CB 4.22Å; L224-F226 HydrophobicContact CD1-CD2 4.34Å; L224-F226 HydrophobicContact CD1-CE2 3.8Å; L224-F226 HydrophobicContact CD2-CE2 4.09Å; L224-F226 HydrophobicContact CG-CD2 4.23Å; L224-F226 HydrophobicContact CG-CE2 3.84Å; L224-V236 HydrophobicContact CD1-CG1 3.79Å; L224-R237 WeakPolarHBondContact CA-O 3.42Å; L224-D1190 HydrophobicContact CD2-CB 3.99Å; L224-D1190 WeakPolarHBondContact CD2-OD1 3.38Å; L224-F1192 HydrophobicContact CD2-CZ 4.25Å; L224-S1239 PolarHBondContact O-OG 3.02Å
225H92.1Very high89.3Confident8 Ų817.4 Ų17.44%0.03711%0.105CC..EExtended strand (participates in β ladder)trans-112.9142.5-175.6-54.6-92.3000110.8V236 R237 E364H225-V236 WeakPolarHBondContact O-CA 3.39Å; H225-R237 HydrophobicContact CB-CB 4.36Å; H225-R237 PolarHBondContact N-O 3.25Å; H225-R237 PolarHBondContact O-N 2.94Å; H225-E364 PolarHBondContact CE1-O 2.99Å
226F90.8Very high89.7Confident6 Ų615.5 Ų15.53%0.0269%0.085CC..EExtended strand (participates in β ladder)trans-12590.5178.4-88.6-108.2000108.9F196 L224 L228 V234 V236 F1192 E1240F196-F226 HydrophobicContact CB-CD1 4.33Å; F196-F226 HydrophobicContact CB-CE1 3.56Å; F196-F226 HydrophobicContact CB-CZ 4.18Å; F196-F226 HydrophobicContact CD1-CD1 4.16Å; F196-F226 AromaticContact CD1-CE1 3.86Å; F196-F226 HydrophobicContact CD1-CE1 3.86Å; F196-F226 HydrophobicContact CG-CD1 4.11Å; F196-F226 AromaticContact CG-CE1 3.76Å; F196-F226 HydrophobicContact CG-CE1 3.76Å; L224-F226 HydrophobicContact CD1-CD2 4.34Å; L224-F226 HydrophobicContact CD1-CE2 3.8Å; L224-F226 HydrophobicContact CD2-CE2 4.09Å; L224-F226 HydrophobicContact CG-CD2 4.23Å; L224-F226 HydrophobicContact CG-CE2 3.84Å; F226-L228 PolarHBondContact O-N 2.94Å; F226-V234 HydrophobicContact CD1-CG1 4.04Å; F226-V236 HydrophobicContact CD1-CG1 4.47Å; F226-V236 HydrophobicContact CD1-CG2 3.64Å; F226-V236 HydrophobicContact CD2-CG1 3.83Å; F226-V236 HydrophobicContact CD2-CG2 4.43Å; F226-V236 HydrophobicContact CE1-CB 4.38Å; F226-V236 HydrophobicContact CE1-CG1 4.07Å; F226-V236 HydrophobicContact CE1-CG2 3.38Å; F226-V236 HydrophobicContact CE2-CB 4.41Å; F226-V236 HydrophobicContact CE2-CG1 3.35Å; F226-V236 HydrophobicContact CE2-CG2 4.22Å; F226-V236 HydrophobicContact CG-CG1 4.37Å; F226-V236 HydrophobicContact CG-CG2 4.16Å; F226-V236 HydrophobicContact CZ-CB 4.26Å; F226-V236 HydrophobicContact CZ-CG1 3.48Å; F226-V236 VanDerWaalsContact CZ-CG1 3.48Å; F226-V236 HydrophobicContact CZ-CG2 3.7Å; F226-F1192 HydrophobicContact CD1-CE1 4.02Å; F226-F1192 AromaticContact CD2-CE1 3.62Å; F226-F1192 HydrophobicContact CD2-CE1 3.62Å; F226-F1192 AromaticContact CD2-CZ 3.89Å; F226-F1192 HydrophobicContact CD2-CZ 3.89Å; F226-F1192 HydrophobicContact CE1-CD1 4.42Å; F226-F1192 AromaticContact CE1-CE1 3.78Å; F226-F1192 HydrophobicContact CE1-CE1 3.78Å; F226-F1192 HydrophobicContact CE1-CZ 4.08Å; F226-F1192 AromaticContact CE2-CE1 3.35Å; F226-F1192 HydrophobicContact CE2-CE1 3.35Å; F226-F1192 HydrophobicContact CE2-CE2 4.28Å; F226-F1192 AromaticContact CE2-CZ 3.16Å; F226-F1192 HydrophobicContact CE2-CZ 3.16Å; F226-F1192 AromaticContact CG-CE1 3.96Å; F226-F1192 HydrophobicContact CG-CE1 3.96Å; F226-F1192 HydrophobicContact CZ-CD1 4.4Å; F226-F1192 AromaticContact CZ-CE1 3.44Å; F226-F1192 HydrophobicContact CZ-CE1 3.44Å; F226-F1192 VanDerWaalsContact CZ-CE1 3.44Å; F226-F1192 HydrophobicContact CZ-CE2 4.08Å; F226-F1192 AromaticContact CZ-CZ 3.28Å; F226-F1192 HydrophobicContact CZ-CZ 3.28Å; F226-E1240 HydrophobicContact CB-CG 4.11Å
227D90.2Very high89.9Confident11 Ų1115.2 Ų15.26%0.0598%0.082CC..EExtended strand (participates in β ladder)trans-81.4105.3179.3-46.6-40.9000107.9E229 V235 R237 C366 I368D227-E229 PolarHBondContact O-N 3.2Å; D227-V235 HydrophobicContact CB-CB 4.18Å; D227-V235 HydrophobicContact CB-CG1 4.48Å; D227-V235 PolarHBondContact N-O 3.21Å; D227-V235 PolarHBondContact O-N 3.48Å; D227-R237 IonicContact OD1-CZ 3.96Å; D227-R237 IonicContact OD1-NE 2.88Å; D227-R237 IonicContact OD1-NH2 3.67Å; D227-R237 PolarHBondContact OD1-NH2 2.78Å; D227-R237 IonicContact OD2-CZ 2.71Å; D227-R237 IonicContact OD2-NE 3.37Å; D227-R237 PolarHBondContact OD2-NE 3.43Å; D227-R237 IonicContact OD2-NH2 2.68Å; D227-R237 PolarHBondContact OD2-NH2 3.37Å; D227-R237 VanDerWaalsContact OD2-NH2 3.09Å; D227-C366 VanDerWaalsContact OD1-CB 3.22Å; D227-C366 WeakPolarHBondContact OD1-CB 3.44Å; D227-I368 HydrophobicContact CB-CD1 4.01Å
228L87.6Confident90.1Very high37 Ų3713.1 Ų13.119%0.1947%0.071CC..EExtended strand (participates in β ladder)trans-85101.2179.4-60.5-177000110.5F196 F226 G230 V234 I368 V1242 L1255F196-L228 HydrophobicContact CZ-CD2 3.98Å; F226-L228 PolarHBondContact O-N 2.94Å; L228-G230 VanDerWaalsContact C-N 3.31Å; L228-G230 PolarHBondContact O-N 3.48Å; L228-V234 HydrophobicContact CD2-CB 4.32Å; L228-V234 HydrophobicContact CD2-CG1 3.87Å; L228-V234 HydrophobicContact CD2-CG2 3.52Å; L228-I368 VanDerWaalsContact O-CD1 3.28Å; L228-I368 WeakPolarHBondContact O-CD1 3.19Å; L228-V1242 HydrophobicContact CD1-CG2 4.12Å; L228-L1255 HydrophobicContact CD1-CD2 3.87Å
229E86.2Confident90.3Very high10 Ų1013.1 Ų13.15%0.0477%0.071CC..  trans-95.320.3-175.6-50.5-173.2154.900113D227 E231 T232 G233 V235 L325 R336 I368D227-E229 PolarHBondContact O-N 3.2Å; E229-E231 PolarHBondContact O-N 3.05Å; E229-T232 WeakPolarHBondContact CB-OG1 3.19Å; E229-T232 PolarHBondContact O-N 3.37Å; E229-T232 PolarHBondContact O-OG1 3.34Å; E229-G233 CarbonylContact C-O 3.58Å; E229-G233 WeakPolarHBondContact CA-O 3.24Å; E229-G233 PolarHBondContact N-O 2.94Å; E229-V235 HydrophobicContact CG-CG2 4.43Å; E229-L325 HydrophobicContact CB-CD1 4.19Å; E229-L325 HydrophobicContact CG-CD1 4.45Å; E229-L325 HydrophobicContact CG-CD2 4.44Å; E229-R336 VanDerWaalsContact CD-NE 3.29Å; E229-R336 WeakPolarHBondContact OE1-CD 3.41Å; E229-R336 IonicContact OE1-CZ 2.73Å; E229-R336 IonicContact OE1-NE 3.21Å; E229-R336 PolarHBondContact OE1-NE 3.07Å; E229-R336 IonicContact OE1-NH2 3.94Å; E229-R336 IonicContact OE2-CZ 2.77Å; E229-R336 VanDerWaalsContact OE2-CZ 3.27Å; E229-R336 IonicContact OE2-NE 3.68Å; E229-R336 PolarHBondContact OE2-NE 2.93Å; E229-R336 IonicContact OE2-NH2 3.51Å; E229-R336 PolarHBondContact OE2-NH2 3.21Å; E229-I368 HydrophobicContact CG-CD1 3.81Å
230G80.6Confident90.4Very high21 Ų2113.1 Ų13.122%0.2167%0.071CC..G310 helixtrans59.2-119174.900000113.5H176 L228 T232 G233H176-G230 PolarHBondContact CD2-O 3.21Å; H176-G230 VanDerWaalsContact CD2-O 3.24Å; H176-G230 WeakPolarHBondContact NE2-CA 3.41Å; L228-G230 VanDerWaalsContact C-N 3.31Å; L228-G230 PolarHBondContact O-N 3.48Å; G230-T232 PolarHBondContact O-N 2.9Å; G230-G233 PolarHBondContact O-N 2.87Å
231E77.1Confident90.4Very high129 Ų12913.1 Ų13.160%0.6037%0.071SC*.G310 helixtrans-64.5-19.1-178.7-66.5179.9133.600113.7H176 E229 K327H176-E231 HydrophobicContact CB-CG 4.36Å; H176-E231 WeakPolarHBondContact ND1-CG 3.31Å; E229-E231 PolarHBondContact O-N 3.05Å; E231-K327 WeakPolarHBondContact OE2-CE 3.02Å; E231-K327 IonicContact OE2-NZ 2.71Å; E231-K327 PolarHBondContact OE2-NZ 2.79Å
232T81.7Confident90.5Very high33 Ų3313.1 Ų13.120%0.2027%0.071CC..G310 helixtrans-87.4-8.3174.264.60000113.5E229 G230E229-T232 WeakPolarHBondContact CB-OG1 3.19Å; E229-T232 PolarHBondContact O-N 3.37Å; E229-T232 PolarHBondContact O-OG1 3.34Å; G230-T232 PolarHBondContact O-N 2.9Å
233G85.8Confident90.3Very high2 Ų213.1 Ų13.12%0.0217%0.071CC..  trans111.2-153.9172.200000114.6E229 G230E229-G233 CarbonylContact C-O 3.58Å; E229-G233 WeakPolarHBondContact CA-O 3.24Å; E229-G233 PolarHBondContact N-O 2.94Å; G230-G233 PolarHBondContact O-N 2.87Å
234V89.1Confident90.2Very high0 Ų016.7 Ų16.70%08%0.084CC..EExtended strand (participates in β ladder)trans-121.7130.6177.3-178.70000110.4M170 N171 D173 F196 F226 L228 V236M170-V234 WeakPolarHBondContact CA-O 3.45Å; N171-V234 PolarHBondContact N-O 3Å; N171-V234 VanDerWaalsContact N-O 3.15Å; N171-V234 PolarHBondContact O-N 2.91Å; D173-V234 HydrophobicContact CB-CG2 3.73Å; D173-V234 VanDerWaalsContact OD2-CG2 3.29Å; D173-V234 WeakPolarHBondContact OD2-CG2 3.48Å; F196-V234 HydrophobicContact CE1-CB 4.33Å; F196-V234 HydrophobicContact CE1-CG1 4.21Å; F196-V234 HydrophobicContact CE1-CG2 3.78Å; F196-V234 HydrophobicContact CZ-CG2 4.19Å; F226-V234 HydrophobicContact CD1-CG1 4.04Å; L228-V234 HydrophobicContact CD2-CB 4.32Å; L228-V234 HydrophobicContact CD2-CG1 3.87Å; L228-V234 HydrophobicContact CD2-CG2 3.52Å; V234-V236 HydrophobicContact CG1-CG2 3.91Å
235V91.6Very high90.1Very high0 Ų017 Ų170%09%0.085CC..EExtended strand (participates in β ladder)trans-105.4124.8172.6166.90000108.6L168 M170 D227 E229 R237 R336L168-V235 HydrophobicContact CD1-CG1 3.92Å; L168-V235 HydrophobicContact CD2-CG1 3.92Å; L168-V235 HydrophobicContact CG-CG1 3.91Å; M170-V235 HydrophobicContact CB-CG2 4.38Å; M170-V235 HydrophobicContact CE-CG2 3.47Å; M170-V235 VanDerWaalsContact CE-CG2 3.47Å; M170-V235 HydrophobicContact CG-CG2 4.16Å; D227-V235 HydrophobicContact CB-CB 4.18Å; D227-V235 HydrophobicContact CB-CG1 4.48Å; D227-V235 PolarHBondContact N-O 3.21Å; D227-V235 PolarHBondContact O-N 3.48Å; E229-V235 HydrophobicContact CG-CG2 4.43Å; V235-R237 HydrophobicContact CG1-CG 4.17Å; V235-R336 HydrophobicContact CG2-CG 4.12Å
236V93.5Very high89.9Confident0 Ų021.8 Ų21.80%011%0.106CC..EExtended strand (participates in β ladder)trans-116.5122.1-179.2-174.20000108.7L168 V169 L199 L203 L224 H225 F226 V234L168-V236 CarbonylContact C-O 3.56Å; L168-V236 WeakPolarHBondContact CA-O 3.45Å; V169-V236 HydrophobicContact CG2-CB 3.8Å; V169-V236 HydrophobicContact CG2-CG1 4.48Å; V169-V236 HydrophobicContact CG2-CG2 4.45Å; V169-V236 PolarHBondContact N-O 2.92Å; V169-V236 PolarHBondContact O-N 3.47Å; L199-V236 HydrophobicContact CB-CG2 3.96Å; L199-V236 HydrophobicContact CD1-CG2 3.73Å; L199-V236 HydrophobicContact CG-CG2 4.48Å; L203-V236 HydrophobicContact CD2-CG1 4.08Å; L224-V236 HydrophobicContact CD1-CG1 3.79Å; H225-V236 WeakPolarHBondContact O-CA 3.39Å; F226-V236 HydrophobicContact CD1-CG1 4.47Å; F226-V236 HydrophobicContact CD1-CG2 3.64Å; F226-V236 HydrophobicContact CD2-CG1 3.83Å; F226-V236 HydrophobicContact CD2-CG2 4.43Å; F226-V236 HydrophobicContact CE1-CB 4.38Å; F226-V236 HydrophobicContact CE1-CG1 4.07Å; F226-V236 HydrophobicContact CE1-CG2 3.38Å; F226-V236 HydrophobicContact CE2-CB 4.41Å; F226-V236 HydrophobicContact CE2-CG1 3.35Å; F226-V236 HydrophobicContact CE2-CG2 4.22Å; F226-V236 HydrophobicContact CG-CG1 4.37Å; F226-V236 HydrophobicContact CG-CG2 4.16Å; F226-V236 HydrophobicContact CZ-CB 4.26Å; F226-V236 HydrophobicContact CZ-CG1 3.48Å; F226-V236 VanDerWaalsContact CZ-CG1 3.48Å; F226-V236 HydrophobicContact CZ-CG2 3.7Å; V234-V236 HydrophobicContact CG1-CG2 3.91Å
237R94.4Very high89.5Confident2 Ų228.4 Ų28.41%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-118140-177.4-69.5-177.6-66.8105.811111.4L168 L224 H225 D227 V235 W340 E364L168-R237 HydrophobicContact CB-CG 4.32Å; L168-R237 HydrophobicContact CD1-CG 3.64Å; L168-R237 HydrophobicContact CG-CG 3.76Å; L224-R237 WeakPolarHBondContact CA-O 3.42Å; H225-R237 HydrophobicContact CB-CB 4.36Å; H225-R237 PolarHBondContact N-O 3.25Å; H225-R237 PolarHBondContact O-N 2.94Å; D227-R237 IonicContact OD1-CZ 3.96Å; D227-R237 IonicContact OD1-NE 2.88Å; D227-R237 IonicContact OD1-NH2 3.67Å; D227-R237 PolarHBondContact OD1-NH2 2.78Å; D227-R237 IonicContact OD2-CZ 2.71Å; D227-R237 IonicContact OD2-NE 3.37Å; D227-R237 PolarHBondContact OD2-NE 3.43Å; D227-R237 IonicContact OD2-NH2 2.68Å; D227-R237 PolarHBondContact OD2-NH2 3.37Å; D227-R237 VanDerWaalsContact OD2-NH2 3.09Å; V235-R237 HydrophobicContact CG1-CG 4.17Å; R237-W340 VanDerWaalsContact CD-NE1 3.31Å; R237-E364 IonicContact NH1-OE2 3.4Å; R237-E364 PolarHBondContact NH1-OE2 3.3Å
238G95Very high88.7Confident0 Ų032.1 Ų32.10%015%0.149CC..EExtended strand (participates in β ladder)trans-126.4131.6172.200000110.5Q166 E167 M207 Q223Q166-G238 CarbonylContact C-O 3.6Å; Q166-G238 VanDerWaalsContact CA-O 3.29Å; Q166-G238 WeakPolarHBondContact CA-O 3.43Å; E167-G238 PolarHBondContact N-O 3.27Å; E167-G238 PolarHBondContact O-N 3.29Å; M207-G238 VanDerWaalsContact CE-C 3.41Å; M207-G238 VanDerWaalsContact CE-O 3.28Å; M207-G238 WeakPolarHBondContact CE-O 3.14Å; Q223-G238 WeakPolarHBondContact O-CA 3.25Å
239I96.2Very high87.4Confident1 Ų134.6 Ų34.61%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-131150.5173.863.5172.4000110.7F164 I165 Q166 Y222 Q223 T301 Y362 E364F164-I239 HydrophobicContact CE2-CB 3.87Å; F164-I239 HydrophobicContact CE2-CG2 4.35Å; F164-I239 HydrophobicContact CZ-CB 3.75Å; F164-I239 HydrophobicContact CZ-CG2 3.7Å; I165-I239 WeakPolarHBondContact O-CA 3.44Å; Q166-I239 HydrophobicContact CB-CG2 4.2Å; Y222-I239 WeakPolarHBondContact CA-O 3.18Å; Q223-I239 HydrophobicContact CB-CD1 4.45Å; Q223-I239 HydrophobicContact CB-CG1 3.87Å; Q223-I239 PolarHBondContact N-O 3.28Å; Q223-I239 PolarHBondContact O-N 3.33Å; I239-T301 HydrophobicContact CD1-CG2 4.36Å; I239-T301 HydrophobicContact CG1-CG2 4.38Å; I239-Y362 HydrophobicContact CD1-CD1 4.32Å; I239-Y362 HydrophobicContact CD1-CE1 4.26Å; I239-E364 HydrophobicContact CD1-CB 4.18Å; I239-E364 HydrophobicContact CD1-CG 4.01Å
240G96.1Very high85.9Confident0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-176.7174.9176.700000114.6I165I165-G240 PolarHBondContact N-O 3.08Å; I165-G240 PolarHBondContact O-N 2.9Å
241T95.2Very high84.2Confident0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-102114.2-179.9-50.80000110.7L161 L219 I220 V243 L300 T301 I302L161-T241 HydrophobicContact CD1-CG2 3.65Å; L219-T241 WeakPolarHBondContact CA-O 3.33Å; I220-T241 PolarHBondContact N-O 3.07Å; I220-T241 PolarHBondContact O-N 3.35Å; T241-V243 HydrophobicContact CG2-CG1 4.45Å; T241-L300 HydrophobicContact CG2-CD2 3.63Å; T241-T301 PolarHBondContact N-OG1 3.5Å; T241-T301 PolarHBondContact OG1-N 2.81Å; T241-T301 PolarHBondContact OG1-OG1 2.82Å; T241-I302 HydrophobicContact CG2-CD1 4.01Å; T241-I302 HydrophobicContact CG2-CG1 4.14Å
242A94.8Very high82.4Confident0 Ų042.8 Ų42.80%023%0.226CC..EExtended strand (participates in β ladder)trans-75.8131.9176.800000111.7I162 G163 I165 V211 I214 L219I162-A242 HydrophobicContact CB-CB 4.38Å; I162-A242 WeakPolarHBondContact CB-O 3.34Å; I162-A242 PolarHBondContact N-O 2.94Å; G163-A242 PolarHBondContact N-O 3.47Å; G163-A242 PolarHBondContact O-N 3Å; I165-A242 HydrophobicContact CG1-CB 3.83Å; V211-A242 HydrophobicContact CG2-CB 4.15Å; I214-A242 HydrophobicContact CD1-CB 3.5Å; I214-A242 VanDerWaalsContact CD1-CB 3.5Å; L219-A242 HydrophobicContact CD1-CB 4.41Å
243V92.2Very high80.2Confident0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-140.3160.3-178.8-68.30000111.2I158 L161 G216 N217 S218 I220 T241 L245I158-V243 HydrophobicContact CD1-CG1 4.17Å; I158-V243 HydrophobicContact CG1-CG1 4.41Å; L161-V243 HydrophobicContact CD1-CG1 3.68Å; G216-V243 WeakPolarHBondContact CA-O 3.34Å; N217-V243 PolarHBondContact N-O 3.36Å; S218-V243 PolarHBondContact N-O 3.18Å; S218-V243 VanDerWaalsContact N-O 3.15Å; S218-V243 WeakPolarHBondContact O-CG2 3.49Å; S218-V243 PolarHBondContact O-N 2.95Å; I220-V243 HydrophobicContact CD1-CG1 4.35Å; I220-V243 HydrophobicContact CD1-CG2 3.73Å; I220-V243 HydrophobicContact CG1-CG2 3.87Å; T241-V243 HydrophobicContact CG2-CG1 4.45Å; V243-L245 HydrophobicContact CG2-CD1 4.49Å; V243-L245 HydrophobicContact CG2-CD2 4.09Å; V243-L245 HydrophobicContact CG2-CG 3.83Å
244R91.3Very high77.8Confident90 Ų9051 Ų5134%0.3428%0.277SS..EExtended strand (participates in β ladder)trans-104.5106.8159-166.4168.867-129.8-1.6109.1D159 S160 N217D159-R244 WeakPolarHBondContact CB-O 3.4Å; D159-R244 PolarHBondContact N-O 3.32Å; D159-R244 IonicContact OD2-CZ 3.25Å; D159-R244 VanDerWaalsContact OD2-CZ 3.25Å; D159-R244 IonicContact OD2-NE 2.85Å; D159-R244 PolarHBondContact OD2-NE 3.28Å; D159-R244 IonicContact OD2-NH2 2.77Å; D159-R244 PolarHBondContact OD2-NH2 3.48Å; S160-R244 PolarHBondContact N-O 3.28Å; S160-R244 PolarHBondContact O-N 3.4Å; S160-R244 VanDerWaalsContact OG-CB 3.29Å; S160-R244 WeakPolarHBondContact OG-CB 3.47Å; S160-R244 PolarHBondContact OG-NH1 3.32Å; N217-R244 WeakPolarHBondContact OD1-CA 3.46Å
245L90.3Very high75.5Confident7 Ų757.1 Ų57.14%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-88.7142.8173.6-66.9-176.3000111.6Y147 P153 F156 V157 I158 N217 I220 V243Y147-L245 HydrophobicContact CE2-CD1 3.93Å; P153-L245 HydrophobicContact CG-CD1 4.18Å; F156-L245 HydrophobicContact CB-CB 4.45Å; F156-L245 HydrophobicContact CB-CD1 4.2Å; F156-L245 HydrophobicContact CB-CD2 4.33Å; F156-L245 HydrophobicContact CD1-CB 4Å; F156-L245 HydrophobicContact CD1-CD1 4.28Å; F156-L245 HydrophobicContact CG-CD1 4.24Å; V157-L245 WeakPolarHBondContact O-CA 3.41Å; I158-L245 HydrophobicContact CG1-CD2 3.73Å; N217-L245 PolarHBondContact ND2-O 2.9Å; N217-L245 PolarHBondContact OD1-N 3.01Å; I220-L245 HydrophobicContact CD1-CD1 4.26Å; I220-L245 HydrophobicContact CD1-CD2 4.14Å; V243-L245 HydrophobicContact CG2-CD1 4.49Å; V243-L245 HydrophobicContact CG2-CD2 4.09Å; V243-L245 HydrophobicContact CG2-CG 3.83Å
246K88Confident72.9Confident108 Ų10864.4 Ų64.447%0.4736%0.356SS..EExtended strand (participates in β ladder)trans-118.4140.5164.1-73.4177.9178.6163.60109.1F156 V157 D159F156-K246 CarbonylContact C-O 3.58Å; F156-K246 WeakPolarHBondContact CA-O 3.35Å; V157-K246 HydrophobicContact CG2-CB 4.3Å; V157-K246 PolarHBondContact N-O 2.92Å; V157-K246 PolarHBondContact O-N 3.05Å; D159-K246 HydrophobicContact CB-CD 3.83Å; D159-K246 HydrophobicContact CB-CG 3.97Å; D159-K246 WeakPolarHBondContact OD1-CD 3.32Å; D159-K246 VanDerWaalsContact OD1-CE 3.3Å; D159-K246 WeakPolarHBondContact OD1-CE 3.34Å; D159-K246 IonicContact OD1-NZ 2.69Å; D159-K246 PolarHBondContact OD1-NZ 2.94Å; D159-K246 WeakPolarHBondContact OD2-CE 3.3Å; D159-K246 IonicContact OD2-NZ 2.93Å; D159-K246 PolarHBondContact OD2-NZ 3Å
247K83.7Confident70.1Confident146 Ų14670.9 Ų70.964%0.63540%0.396SS*.EExtended strand (participates in β ladder)trans-69.3133.9172.6-171.1168.8-174.5168.50109.1F156 S249F156-K247 HydrophobicContact CD1-CB 4.34Å; F156-K247 HydrophobicContact CE1-CB 4.23Å; K247-S249 PolarHBondContact O-N 2.86Å
248Y71.5Confident67.2Low89 Ų8976.5 Ų76.535%0.34943%0.433SS..  trans-69.1123.9177.2-171.8-105000110.1G155 V157 P250 N398G155-Y248 WeakPolarHBondContact O-CB 3.49Å; G155-Y248 PolarHBondContact O-N 3.35Å; V157-Y248 HydrophobicContact CG1-CD2 3.99Å; Y248-P250 HydrophobicContact CE1-CB 4.04Å; Y248-N398 PolarHBondContact OH-OD1 3.13Å
249S61.9Low64.4Low89 Ų8983.5 Ų83.562%0.62248%0.476SS*.  trans-119103.4173.956.70000108.7K247 V251K247-S249 PolarHBondContact O-N 2.86Å; S249-V251 PolarHBondContact O-N 2.86Å
250P54.4Low61.4Low81 Ų8187.3 Ų87.353%0.52652%0.515SS..  trans-64122.3177.125.6-32.4000109.6Y248 T252Y248-P250 HydrophobicContact CE1-CB 4.04Å; P250-T252 PolarHBondContact O-N 2.92Å; P250-T252 VanDerWaalsContact O-N 3.08Å
251V44.7Very low58.3Low121 Ų12195.1 Ų95.173%0.73356%0.555SS**  trans-82.589.2-178.3-178.20000109.3S249 T253S249-V251 PolarHBondContact O-N 2.86Å; V251-T253 VanDerWaalsContact C-N 3.28Å; V251-T253 HydrophobicContact CG1-CG2 4.19Å; V251-T253 PolarHBondContact O-N 3.03Å
252T40.1Very low55.4Low129 Ų129100.4 Ų100.479%0.79159%0.592SS**  trans-76.276.4174.4-48.60000110.8P250P250-T252 PolarHBondContact O-N 2.92Å; P250-T252 VanDerWaalsContact O-N 3.08Å
253T34.3Very low52.4Low113 Ų113108.6 Ų108.669%0.69363%0.627SS**PPolyproline II helixtrans-70.5122.9161.544.10000109.2V251V251-T253 VanDerWaalsContact C-N 3.28Å; V251-T253 HydrophobicContact CG1-CG2 4.19Å; V251-T253 PolarHBondContact O-N 3.03Å
254P36.2Very low49.4Very low95 Ų95115.6 Ų115.662%0.61767%0.665SS**PPolyproline II helixtrans-65.1151.6171.828.9-34.4000110.7N256P254-N256 PolarHBondContact O-N 3.05Å
255P39.8Very low46.5Very low129 Ų129117.2 Ų117.284%0.83869%0.69SS**PPolyproline II helixtrans-69.4120.6178.127.9-33.4000110.8T257P255-T257 PolarHBondContact O-N 3.17Å
256N37.6Very low43.4Very low153 Ų153121.8 Ų121.882%0.81872%0.723SS**PPolyproline II helixtrans-69128.7-179.1-70.4-36.2000112.2P254P254-N256 PolarHBondContact O-N 3.05Å
257T34.9Very low40.6Very low136 Ų136127.8 Ų127.883%0.83474%0.744SS**PPolyproline II helixtrans-72.4131.7165.910.10000110.9P255P255-T257 PolarHBondContact O-N 3.17Å
258P32.5Very low37.7Very low120 Ų120127.7 Ų127.778%0.77975%0.751SS**  trans-98.8111.6-174.534.6-32.4000114.1
259T36.9Very low35.6Very low147 Ų147133.5 Ų133.590%0.90277%0.772SS**  trans-150.5148.6163.241.40000111.5
260G34.1Very low34Very low80 Ų80137 Ų13783%0.82578%0.778SS**  trans120.4101.9170.400000115.2
261I31.1Very low32.5Very low165 Ų165138.3 Ų138.385%0.84679%0.79SS**  trans-113.6123.4-179-62.2166.8000110.7
262S32.9Very low31.9Very low111 Ų111138.7 Ų138.778%0.77679%0.794SS**  trans-168.7100.3155.7-164.80000109.2
263K32.8Very low31.1Very low171 Ų171140.5 Ų140.574%0.74380%0.8SS**  79.1115.779.9-79.3-172.3175.7-179.80116
264N28.1Very low31Very low148 Ų148139.3 Ų139.379%0.79180%0.801SS**  trans64.8111.5142.9-57.111000120.5
265S30.8Very low30.5Very low123 Ų123140.3 Ų140.386%0.8681%0.81SS**  -164.9164.899.245.10000110.4
266S25.2Very low30Very low104 Ų104144.9 Ų144.973%0.72781%0.812SS**  trans-143.9128.8-165.555.60000112.4
267Y29.5Very low29.6Very low234 Ų234146.8 Ų146.892%0.91881%0.813SS**  trans-135.1152.3162.1-79.1-76.6000110.5
268N23.1Very low29.2Very low144 Ų144149.8 Ų149.877%0.7782%0.818SS**  trans-112.8-160.5-168.4-1356000109.9
269W26.4Very low29.1Very low210 Ų210149.4 Ų149.480%0.79582%0.818SS**  trans74.4139.1171.4-43.396.1000114.7
270E28Very low28.7Very low162 Ų162145.4 Ų145.476%0.75781%0.806SS**  cis-158.3164.3-24-145.5168.3-15500109.2
271S24.4Very low28.3Very low110 Ų110148.4 Ų148.477%0.76981%0.808SS**PPolyproline II helixtrans-102.6126.8-172.8-630000113.9
272P30.5Very low28.3Very low128 Ų128148.3 Ų148.383%0.83180%0.803SS**PPolyproline II helixtrans-86.4120.3161.4-4.523.4000110.9
273N25Very low27.9Very low168 Ų168150.1 Ų150.190%0.89880%0.804SS**PPolyproline II helixtrans-77.7132.1166.1-77.7-40.5000110.1
274A30.7Very low27.7Very low88 Ų88151.8 Ų151.873%0.72781%0.812SS**  trans-131.597.1169.900000109.8
275S26.2Very low27.6Very low115 Ų115152 Ų15280%0.80481%0.808SS**PPolyproline II helixtrans-80.2119.717954.20000111.6
276Y28.9Very low27.6Very low225 Ų225151.9 Ų151.988%0.88281%0.807SS**PPolyproline II helixtrans-100.6134.6158.8-85.9-90.8000109.4
277K29.3Very low28Very low194 Ų194154.9 Ų154.984%0.84381%0.81SS**PPolyproline II helixtrans-78.4147.7-177.1-66.2179.7176-178.60110.7
278E27.2Very low28.6Very low199 Ų199147.5 Ų147.593%0.9379%0.785SS**PPolyproline II helixtrans-68.1138.5157.6-65.2175.212800109.5
279S30.4Very low29.4Very low112 Ų112142.1 Ų142.178%0.78376%0.758SS**  trans-160.1132.817360.90000111.3
280G28.7Very low30.2Very low62 Ų62139.4 Ų139.464%0.63975%0.754SS**  trans90.9110.2166.400000114.8H282G280-H282 PolarHBondContact O-N 3.25Å
281V25.6Very low31.1Very low144 Ų144133 Ų13387%0.87373%0.729SS**  trans-65.2118.9156.7175.10000107.2
282H30.8Very low32.8Very low162 Ų162128.4 Ų128.475%0.7570%0.696SS**  trans-118.7138.2171.7-85.4-85.1000110G280 F284G280-H282 PolarHBondContact O-N 3.25Å; H282-F284 PolarHBondContact O-N 2.91Å
283N25.2Very low34Very low149 Ų149127.6 Ų127.680%0.79768%0.681SS**  trans-61130.2-174-60.5-21000111.2Q285N283-Q285 PolarHBondContact O-N 3.07Å
284F27.1Very low35.6Very low207 Ų207124.2 Ų124.291%0.90866%0.662SS**  trans-73.578.5168-98.2-87.7000110.2H282H282-F284 PolarHBondContact O-N 2.91Å
285Q27.6Very low36.9Very low153 Ų153120.6 Ų120.672%0.71563%0.634SS**  trans-65.6139.2162.6-131.4165-15.400108.5N283 H287N283-Q285 PolarHBondContact O-N 3.07Å; Q285-H287 VanDerWaalsContact C-N 3.35Å; Q285-H287 PolarHBondContact O-CD2 3.27Å; Q285-H287 PolarHBondContact O-N 3.25Å
286S30.3Very low39.2Very low119 Ų119119 Ų11983%0.83261%0.613SS**  trans-74.880.4-167.355.90000112.5I288S286-I288 PolarHBondContact O-N 2.77Å
287H34.3Very low41.9Very low168 Ų168109.3 Ų109.378%0.77858%0.576SS**PPolyproline II helixtrans-70.3122.3173.7-77.9-79.3000111.2Q285Q285-H287 VanDerWaalsContact C-N 3.35Å; Q285-H287 PolarHBondContact O-CD2 3.27Å; Q285-H287 PolarHBondContact O-N 3.25Å
288I40.7Very low44.8Very low78 Ų78101.1 Ų101.140%0.454%0.542SS..PPolyproline II helixtrans-63.6131.8169.8-60.2173.3000107.8S286 Q290 E293S286-I288 PolarHBondContact O-N 2.77Å; I288-Q290 PolarHBondContact O-N 2.95Å; I288-E293 HydrophobicContact CB-CG 4.28Å; I288-E293 HydrophobicContact CG2-CG 3.72Å
289P40.4Very low48Very low32 Ų3291.6 Ų91.621%0.20850%0.498CS..PPolyproline II helixtrans-72.6122.8177.7-20.534.7000111.7A291 L292 I389P289-A291 PolarHBondContact O-N 3.42Å; P289-L292 PolarHBondContact O-N 3.36Å; P289-I389 HydrophobicContact CB-CB 4.17Å; P289-I389 HydrophobicContact CB-CD1 3.57Å; P289-I389 HydrophobicContact CB-CG1 4.43Å; P289-I389 HydrophobicContact CB-CG2 3.43Å; P289-I389 VanDerWaalsContact CB-CG2 3.43Å; P289-I389 HydrophobicContact CG-CD1 3.88Å
290Q43.5Very low51Low153 Ų15386.3 Ų86.372%0.71546%0.461SS*.THydrogen-bonded Turntrans-56.3-14.6-158.7-166.1168.537.800118I288I288-Q290 PolarHBondContact O-N 2.95Å
291A45.9Very low54.1Low28 Ų2883.3 Ų83.323%0.23143%0.43CS..THydrogen-bonded Turntrans-78-20.9-177.800000114.6I162 P289 I389I162-A291 VanDerWaalsContact O-O 3.05Å; P289-A291 PolarHBondContact O-N 3.42Å; A291-I389 HydrophobicContact CB-CB 4.34Å; A291-I389 HydrophobicContact CB-CG2 3.46Å; A291-I389 VanDerWaalsContact CB-CG2 3.46Å
292L59.7Low57.3Low13 Ų1376.5 Ų76.57%0.06839%0.389CS..SBendtrans-93.4-11.1175.6-72.9173000113.4P289 L294 G295 L300 A358 I384P289-L292 PolarHBondContact O-N 3.36Å; L292-L294 PolarHBondContact O-N 2.89Å; L292-G295 PolarHBondContact O-N 3.11Å; L292-G295 VanDerWaalsContact O-N 3.14Å; L292-L300 HydrophobicContact CD2-CD2 4.35Å; L292-A358 HydrophobicContact CD1-CB 4.25Å; L292-I384 HydrophobicContact CD1-CD1 4.19Å
293E55.8Low60.1Low111 Ų11169.1 Ų69.152%0.51936%0.355SS..THydrogen-bonded Turntrans-69.9-6.2177-60.5-173.9131.900113.4I288I288-E293 HydrophobicContact CB-CG 4.28Å; I288-E293 HydrophobicContact CG2-CG 3.72Å
294L59Low63.1Low97 Ų9765.4 Ų65.451%0.50833%0.333SS..THydrogen-bonded Turntrans-86.7-16.3172.6-71170.4000113.1I162 L292I162-L294 HydrophobicContact CG2-CB 3.52Å; I162-L294 HydrophobicContact CG2-CD1 3.94Å; I162-L294 HydrophobicContact CG2-CG 4.39Å; L292-L294 PolarHBondContact O-N 2.89Å
295G59.1Low65.8Low12 Ų1255.7 Ų55.712%0.12429%0.291CS..SBendtrans-85.3155.2167.500000111.2I162 F164 L292 F297I162-G295 PolarHBondContact O-N 3.24Å; F164-G295 WeakPolarHBondContact O-CA 3.34Å; L292-G295 PolarHBondContact O-N 3.11Å; L292-G295 VanDerWaalsContact O-N 3.14Å; G295-F297 PolarHBondContact O-N 3.18Å
296E74.8Confident68.6Low80 Ų8048.9 Ų48.937%0.37426%0.259SS..SBendtrans-64.7-27.3177.5-63.8-178.1-139.200111.5F164 Q166 K210F164-E296 PolarHBondContact O-N 2.99Å; Q166-E296 VanDerWaalsContact CD-OE2 3.27Å; Q166-E296 VanDerWaalsContact CG-OE2 3.29Å; Q166-E296 WeakPolarHBondContact CG-OE2 3.4Å; Q166-E296 PolarHBondContact NE2-OE2 2.91Å; K210-E296 WeakPolarHBondContact CE-OE1 3.39Å; K210-E296 IonicContact NZ-OE1 3.52Å; K210-E296 PolarHBondContact NZ-OE1 3.4Å; K210-E296 IonicContact NZ-OE2 3.11Å
297F84.4Confident71Confident23 Ų2346.4 Ų46.410%0.10124%0.241CC..SBendtrans-144.4156.4177.3-67.1-85.9000111.2F164 G295 F299 L341 R344 T345 V348F164-F297 HydrophobicContact CB-CB 4.28Å; F164-F297 VanDerWaalsContact CB-O 3.25Å; F164-F297 WeakPolarHBondContact CB-O 3.49Å; F164-F297 HydrophobicContact CD1-CB 4.12Å; F164-F297 AromaticContact CD1-CD2 3.98Å; F164-F297 HydrophobicContact CD1-CD2 3.98Å; F164-F297 HydrophobicContact CE1-CD2 4.34Å; F164-F297 HydrophobicContact CG-CB 4.49Å; G295-F297 PolarHBondContact O-N 3.18Å; F297-F299 HydrophobicContact CB-CB 4.44Å; F297-F299 HydrophobicContact CB-CD1 4.14Å; F297-F299 HydrophobicContact CB-CD2 3.42Å; F297-F299 VanDerWaalsContact CB-CD2 3.42Å; F297-F299 HydrophobicContact CB-CE1 4.26Å; F297-F299 HydrophobicContact CB-CE2 3.54Å; F297-F299 HydrophobicContact CB-CG 3.74Å; F297-F299 HydrophobicContact CB-CZ 3.99Å; F297-F299 AromaticContact CD1-CE2 3.92Å; F297-F299 HydrophobicContact CD1-CE2 3.92Å; F297-F299 AromaticContact CD1-CZ 4Å; F297-F299 HydrophobicContact CD1-CZ 4Å; F297-F299 HydrophobicContact CD2-CE2 4.39Å; F297-F299 HydrophobicContact CG-CD2 4.01Å; F297-F299 AromaticContact CG-CE2 3.68Å; F297-F299 HydrophobicContact CG-CE2 3.68Å; F297-F299 HydrophobicContact CG-CZ 4.16Å; F297-F299 PolarHBondContact O-N 3.31Å; F297-L341 HydrophobicContact CZ-CD1 3.74Å; F297-R344 HydrophobicContact CD1-CB 4.03Å; F297-R344 HydrophobicContact CD2-CB 4.47Å; F297-R344 HydrophobicContact CE1-CB 3.62Å; F297-R344 HydrophobicContact CE2-CB 4.12Å; F297-R344 HydrophobicContact CG-CB 4.46Å; F297-R344 HydrophobicContact CZ-CB 3.69Å; F297-T345 HydrophobicContact CE1-CG2 4.47Å; F297-V348 HydrophobicContact CD1-CG2 3.93Å
298P90.3Very high73.3Confident21 Ų2139.6 Ų39.614%0.13622%0.216CC..SBendtrans-77.544.4175.835.6-37.7000112.1V348 M351 A358 V359P298-V348 HydrophobicContact CG-CG2 4.12Å; P298-M351 HydrophobicContact CG-CE 3.88Å; P298-M351 HydrophobicContact CG-SD 4.06Å; P298-A358 VanDerWaalsContact O-CA 3.31Å; P298-A358 WeakPolarHBondContact O-CA 3.37Å; P298-A358 WeakPolarHBondContact O-CB 3.18Å; P298-V359 PolarHBondContact O-N 3.36Å
299F94.2Very high75.5Confident0 Ų035.9 Ų35.90%020%0.197CC..EExtended strand (participates in β ladder)trans-107.9145.6-175.9-55.3-23.3000111.4F164 F297 R344 I347 V348 V359 Y362F164-F299 HydrophobicContact CB-CB 4.06Å; F164-F299 HydrophobicContact CD1-CD2 4.19Å; F164-F299 HydrophobicContact CD2-CB 3.79Å; F164-F299 HydrophobicContact CD2-CD2 4.46Å; F164-F299 HydrophobicContact CE1-CD2 4.23Å; F164-F299 HydrophobicContact CE2-CB 4.35Å; F164-F299 HydrophobicContact CG-CB 3.95Å; F164-F299 HydrophobicContact CG-CD2 4.29Å; F164-F299 HydrophobicContact CZ-CD2 4.39Å; F297-F299 HydrophobicContact CB-CB 4.44Å; F297-F299 HydrophobicContact CB-CD1 4.14Å; F297-F299 HydrophobicContact CB-CD2 3.42Å; F297-F299 VanDerWaalsContact CB-CD2 3.42Å; F297-F299 HydrophobicContact CB-CE1 4.26Å; F297-F299 HydrophobicContact CB-CE2 3.54Å; F297-F299 HydrophobicContact CB-CG 3.74Å; F297-F299 HydrophobicContact CB-CZ 3.99Å; F297-F299 AromaticContact CD1-CE2 3.92Å; F297-F299 HydrophobicContact CD1-CE2 3.92Å; F297-F299 AromaticContact CD1-CZ 4Å; F297-F299 HydrophobicContact CD1-CZ 4Å; F297-F299 HydrophobicContact CD2-CE2 4.39Å; F297-F299 HydrophobicContact CG-CD2 4.01Å; F297-F299 AromaticContact CG-CE2 3.68Å; F297-F299 HydrophobicContact CG-CE2 3.68Å; F297-F299 HydrophobicContact CG-CZ 4.16Å; F297-F299 PolarHBondContact O-N 3.31Å; F299-R344 HydrophobicContact CE2-CB 3.89Å; F299-R344 HydrophobicContact CE2-CG 3.88Å; F299-R344 HydrophobicContact CZ-CB 4.27Å; F299-I347 HydrophobicContact CE1-CG2 3.86Å; F299-I347 HydrophobicContact CZ-CB 4.28Å; F299-I347 HydrophobicContact CZ-CG2 3.89Å; F299-V348 HydrophobicContact CE1-CG2 3.64Å; F299-V348 HydrophobicContact CZ-CG2 3.72Å; F299-V359 CarbonylContact C-O 3.52Å; F299-V359 WeakPolarHBondContact CA-O 3.45Å; F299-V359 HydrophobicContact CD1-CB 3.72Å; F299-V359 HydrophobicContact CD1-CG2 3.77Å; F299-V359 HydrophobicContact CE1-CB 4.22Å; F299-V359 HydrophobicContact CE1-CG2 3.79Å; F299-Y362 HydrophobicContact CB-CD1 4.31Å; F299-Y362 HydrophobicContact CB-CD2 4.45Å; F299-Y362 HydrophobicContact CB-CG 4.03Å; F299-Y362 HydrophobicContact CD1-CD2 4.46Å; F299-Y362 HydrophobicContact CD2-CD1 4.08Å; F299-Y362 AromaticContact CD2-CD2 3.94Å; F299-Y362 HydrophobicContact CD2-CD2 3.94Å; F299-Y362 AromaticContact CD2-CE1 3.98Å; F299-Y362 HydrophobicContact CD2-CE1 3.98Å; F299-Y362 AromaticContact CD2-CE2 3.83Å; F299-Y362 HydrophobicContact CD2-CE2 3.83Å; F299-Y362 HydrophobicContact CD2-CG 4.07Å; F299-Y362 AromaticContact CD2-CZ 3.86Å; F299-Y362 HydrophobicContact CE2-CD2 4.26Å; F299-Y362 HydrophobicContact CE2-CE1 4.42Å; F299-Y362 AromaticContact CE2-CE2 3.76Å; F299-Y362 HydrophobicContact CE2-CE2 3.76Å; F299-Y362 AromaticContact CE2-CZ 3.87Å; F299-Y362 HydrophobicContact CG-CD1 4.46Å; F299-Y362 HydrophobicContact CG-CD2 4.05Å; F299-Y362 HydrophobicContact CG-CE2 4.37Å; F299-Y362 HydrophobicContact CG-CG 4.11Å; F299-Y362 HydrophobicContact CZ-CE2 4.23Å
300L93.8Very high77.8Confident0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-128.6116177.6-57.9175.9000108.3L161 T241 L292 I302 V359 L360 A361 Y362 I384L161-L300 HydrophobicContact CD1-CD2 3.97Å; L161-L300 HydrophobicContact CD2-CD1 4.24Å; L161-L300 HydrophobicContact CD2-CD2 4Å; L161-L300 HydrophobicContact CG-CD2 4.24Å; T241-L300 HydrophobicContact CG2-CD2 3.63Å; L292-L300 HydrophobicContact CD2-CD2 4.35Å; L300-I302 PolarHBondContact O-N 3.07Å; L300-V359 PolarHBondContact N-O 3.4Å; L300-L360 HydrophobicContact CB-CD1 3.86Å; L300-L360 HydrophobicContact CD1-CD1 4.03Å; L300-L360 CarbonylContact O-C 3.59Å; L300-A361 WeakPolarHBondContact O-CA 3.45Å; L300-A361 PolarHBondContact O-N 2.96Å; L300-Y362 PolarHBondContact O-N 2.9Å; L300-I384 HydrophobicContact CD1-CD1 3.91Å
301T94.6Very high79.8Confident0 Ų029.9 Ų29.90%017%0.167CC..  trans-74.9-13.7172.358.90000112.4F164 I220 G221 I239 T241 S303F164-T301 HydrophobicContact CD2-CG2 4.35Å; F164-T301 HydrophobicContact CE2-CG2 3.97Å; I220-T301 PolarHBondContact O-OG1 3.37Å; G221-T301 WeakPolarHBondContact O-CB 3.47Å; G221-T301 PolarHBondContact O-OG1 3.09Å; I239-T301 HydrophobicContact CD1-CG2 4.36Å; I239-T301 HydrophobicContact CG1-CG2 4.38Å; T241-T301 PolarHBondContact N-OG1 3.5Å; T241-T301 PolarHBondContact OG1-N 2.81Å; T241-T301 PolarHBondContact OG1-OG1 2.82Å; T301-S303 PolarHBondContact O-N 2.92Å; T301-S303 PolarHBondContact O-OG 3.14Å
302I92.2Very high81.8Confident0 Ų030.1 Ų30.10%016%0.164CC..  trans-52121.5169.2-53.4179000108.6C150 L161 I220 T241 L300 Q304 L360 A361C150-I302 WeakPolarHBondContact O-CG2 3.41Å; L161-I302 HydrophobicContact CD1-CD1 4.32Å; I220-I302 HydrophobicContact CG2-CD1 4.5Å; I220-I302 HydrophobicContact CG2-CG1 3.95Å; T241-I302 HydrophobicContact CG2-CD1 4.01Å; T241-I302 HydrophobicContact CG2-CG1 4.14Å; L300-I302 PolarHBondContact O-N 3.07Å; I302-Q304 WeakPolarHBondContact CG2-O 3.23Å; I302-L360 HydrophobicContact CB-CD1 4.47Å; I302-L360 WeakPolarHBondContact O-CD1 3.41Å; I302-A361 WeakPolarHBondContact O-CA 3.17Å; I302-A361 PolarHBondContact O-N 2.91Å; I302-A361 VanDerWaalsContact O-N 3.14Å
303S90.1Very high83.2Confident7 Ų729.9 Ų29.95%0.04916%0.162CC..  trans-95.8-31.8-177.6-62.30000112.5C150 T301 P305 R363 S543 D544C150-S303 PolarHBondContact O-N 3.34Å; T301-S303 PolarHBondContact O-N 2.92Å; T301-S303 PolarHBondContact O-OG 3.14Å; S303-P305 WeakPolarHBondContact O-CD 3.15Å; S303-R363 PolarHBondContact OG-NH2 3.48Å; S303-S543 WeakPolarHBondContact O-CA 3.36Å; S303-S543 WeakPolarHBondContact O-CB 3.17Å; S303-D544 PolarHBondContact O-N 2.71Å
304Q87.3Confident84.7Confident71 Ų7125.4 Ų25.433%0.33215%0.146SC..SBendtrans-86.5118.1173.9-169.7178.125.500111.1C150 T151 I302 L306 D544C150-Q304 PolarHBondContact O-N 2.66Å; T151-Q304 HydrophobicContact CG2-CB 3.71Å; I302-Q304 WeakPolarHBondContact CG2-O 3.23Å; Q304-L306 PolarHBondContact O-N 2.97Å; Q304-D544 HydrophobicContact CB-CB 4.29Å; Q304-D544 HydrophobicContact CG-CB 4.44Å
305P84.8Confident86.2Confident4 Ų423.5 Ų23.53%0.02614%0.141CC..PPolyproline II helixtrans-63.6135.7178.1-19.331.8000111.9S303 M309 I310 L360 D544 P546S303-P305 WeakPolarHBondContact O-CD 3.15Å; P305-M309 HydrophobicContact CB-CE 4.26Å; P305-I310 HydrophobicContact CB-CD1 3.8Å; P305-I310 HydrophobicContact CB-CG1 4.38Å; P305-I310 HydrophobicContact CG-CD1 4.01Å; P305-L360 HydrophobicContact CB-CD2 4.07Å; P305-L360 HydrophobicContact CG-CD2 3.88Å; P305-D544 VanDerWaalsContact CD-O 3.3Å; P305-D544 WeakPolarHBondContact CD-O 3.33Å; P305-D544 WeakPolarHBondContact CG-O 3.33Å; P305-P546 HydrophobicContact CB-CB 4.09Å; P305-P546 HydrophobicContact CB-CG 4.24Å; P305-P546 HydrophobicContact CG-CB 4.24Å; P305-P546 HydrophobicContact CG-CG 3.95Å
306L85.2Confident87.9Confident9 Ų924 Ų245%0.04714%0.14CC..PPolyproline II helixtrans-77.7149.4178.4-48.9-179.8000110.8I152 I158 Q304 G308 M309 W388I152-L306 HydrophobicContact CD1-CD1 4.06Å; I152-L306 HydrophobicContact CD1-CD2 3.61Å; I152-L306 HydrophobicContact CD1-CG 4.45Å; I152-L306 HydrophobicContact CG1-CD2 3.76Å; I158-L306 HydrophobicContact CD1-CD1 3.82Å; Q304-L306 PolarHBondContact O-N 2.97Å; L306-G308 PolarHBondContact O-N 3.32Å; L306-M309 HydrophobicContact CB-CB 3.99Å; L306-M309 HydrophobicContact CB-SD 3.94Å; L306-M309 HydrophobicContact CD1-SD 4.05Å; L306-M309 HydrophobicContact CG-SD 3.83Å; L306-M309 WeakPolarHBondContact O-CB 3.39Å; L306-M309 PolarHBondContact O-N 2.76Å; L306-W388 HydrophobicContact CB-CH2 3.61Å; L306-W388 HydrophobicContact CB-CZ2 3.79Å; L306-W388 HydrophobicContact CB-CZ3 4.24Å; L306-W388 HydrophobicContact CD1-CE3 4.29Å; L306-W388 HydrophobicContact CD1-CH2 3.68Å; L306-W388 HydrophobicContact CD1-CZ3 3.51Å; L306-W388 HydrophobicContact CG-CH2 4.29Å
307P81.6Confident88.8Confident68 Ų6820.5 Ų20.544%0.44212%0.124SC..THydrogen-bonded Turntrans-55.1120.6-175-27.634.3000113.7M309 W388 P547 E548P307-M309 PolarHBondContact O-N 2.83Å; P307-W388 WeakPolarHBondContact O-CZ2 3.48Å; P307-W388 PolarHBondContact O-NE1 3.04Å; P307-P547 HydrophobicContact CB-CG 4.29Å; P307-P547 HydrophobicContact CG-CG 4.04Å; P307-E548 VanDerWaalsContact C-OE1 3.32Å; P307-E548 WeakPolarHBondContact CA-OE1 3.34Å; P307-E548 WeakPolarHBondContact CB-OE1 3.47Å
308G82.7Confident89.3Confident24 Ų2421.2 Ų21.225%0.24713%0.134CC..THydrogen-bonded Turntrans63.620.7-177.900000115L306 N385 W388 E548L306-G308 PolarHBondContact O-N 3.32Å; G308-N385 WeakPolarHBondContact O-CB 3.49Å; G308-N385 PolarHBondContact O-ND2 3.04Å; G308-W388 PolarHBondContact O-NE1 3.02Å; G308-E548 VanDerWaalsContact N-CD 3.32Å; G308-E548 PolarHBondContact N-OE1 2.76Å; G308-E548 PolarHBondContact N-OE2 2.85Å
309M86.1Confident89.5Confident1 Ų120.5 Ų20.51%0.00513%0.129CC..  trans-75.1-43.2176.6-176.6-17576.400112.5P305 L306 P307 L360 I384 N385 W388P305-M309 HydrophobicContact CB-CE 4.26Å; L306-M309 HydrophobicContact CB-CB 3.99Å; L306-M309 HydrophobicContact CB-SD 3.94Å; L306-M309 HydrophobicContact CD1-SD 4.05Å; L306-M309 HydrophobicContact CG-SD 3.83Å; L306-M309 WeakPolarHBondContact O-CB 3.39Å; L306-M309 PolarHBondContact O-N 2.76Å; P307-M309 PolarHBondContact O-N 2.83Å; M309-L360 HydrophobicContact CE-CD1 3.66Å; M309-L360 HydrophobicContact CE-CD2 3.65Å; M309-L360 HydrophobicContact CE-CG 4.31Å; M309-I384 WeakPolarHBondContact O-CA 3.24Å; M309-N385 WeakPolarHBondContact O-CB 3.2Å; M309-N385 PolarHBondContact O-N 3.44Å; M309-W388 HydrophobicContact CB-CD2 4.38Å; M309-W388 HydrophobicContact CB-CG 4.46Å; M309-W388 HydrophobicContact CG-CD2 4.4Å; M309-W388 HydrophobicContact CG-CG 4.37Å
310I88.4Confident89.5Confident6 Ų622.3 Ų22.33%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-82.2125.9176-58.3174.8000108.3P305 H312 F313 L360 V382 I504 P546P305-I310 HydrophobicContact CB-CD1 3.8Å; P305-I310 HydrophobicContact CB-CG1 4.38Å; P305-I310 HydrophobicContact CG-CD1 4.01Å; I310-H312 WeakPolarHBondContact CG2-O 3.38Å; I310-F313 HydrophobicContact CD1-CD1 4.5Å; I310-F313 HydrophobicContact CD1-CE1 3.77Å; I310-F313 HydrophobicContact CD1-CE2 4.25Å; I310-F313 HydrophobicContact CD1-CZ 3.62Å; I310-F313 HydrophobicContact CG2-CD2 4.39Å; I310-L360 HydrophobicContact CD1-CD2 3.87Å; I310-L360 HydrophobicContact CG1-CD2 4.37Å; I310-V382 HydrophobicContact CD1-CG1 3.91Å; I310-V382 HydrophobicContact CG1-CB 4.33Å; I310-V382 HydrophobicContact CG1-CG1 4.08Å; I310-V382 HydrophobicContact CG2-CB 4.29Å; I310-V382 HydrophobicContact CG2-CG1 4.2Å; I310-I504 HydrophobicContact CB-CD1 4.11Å; I310-I504 HydrophobicContact CB-CG1 4.25Å; I310-I504 HydrophobicContact CG2-CD1 4.21Å; I310-I504 HydrophobicContact CG2-CG1 3.83Å; I310-P546 HydrophobicContact CD1-CG 4.19Å
311L86.3Confident89.6Confident52 Ų5223.3 Ų23.327%0.27214%0.144SC..EExtended strand (participates in β ladder)trans-84.7-48.6168.9-174.868.7000110.5Q383 N385 I504L311-Q383 WeakPolarHBondContact CB-O 3.28Å; L311-Q383 HydrophobicContact CD2-CG 4.34Å; L311-Q383 PolarHBondContact N-O 3.15Å; L311-N385 HydrophobicContact CB-CB 4.44Å; L311-I504 WeakPolarHBondContact O-CA 3.48Å
312H86.8Confident89.6Confident34 Ų3424.4 Ų24.416%0.15715%0.151CC..EExtended strand (participates in β ladder)trans-144.6141.8177.6-60.4-55.9000110I310 Q383 H503 H506I310-H312 WeakPolarHBondContact CG2-O 3.38Å; H312-Q383 HydrophobicContact CB-CB 4.41Å; H312-Q383 PolarHBondContact O-N 3.34Å; H312-H503 PolarHBondContact CE1-O 3.26Å; H312-H503 PolarHBondContact ND1-O 2.9Å; H312-H506 PolarHBondContact ND1-O 2.9Å
313F90.3Very high89.6Confident8 Ų826.6 Ų26.64%0.03516%0.159CC..EExtended strand (participates in β ladder)trans-75.8142.4162.7-78.4-79.3000110.9I310 T380 V382 I504 L539 P546 F606I310-F313 HydrophobicContact CD1-CD1 4.5Å; I310-F313 HydrophobicContact CD1-CE1 3.77Å; I310-F313 HydrophobicContact CD1-CE2 4.25Å; I310-F313 HydrophobicContact CD1-CZ 3.62Å; I310-F313 HydrophobicContact CG2-CD2 4.39Å; F313-T380 HydrophobicContact CD1-CG2 3.9Å; F313-T380 HydrophobicContact CE1-CG2 4.12Å; F313-V382 HydrophobicContact CD1-CG1 3.91Å; F313-V382 HydrophobicContact CE1-CG1 4.16Å; F313-I504 HydrophobicContact CD2-CG1 3.97Å; F313-I504 HydrophobicContact CE2-CD1 3.98Å; F313-I504 HydrophobicContact CE2-CG1 3.92Å; F313-I504 PolarHBondContact N-O 3.39Å; F313-I504 VanDerWaalsContact N-O 3.07Å; F313-L539 HydrophobicContact CB-CD1 3.85Å; F313-L539 HydrophobicContact CB-CD2 4.3Å; F313-L539 HydrophobicContact CD1-CD1 4.28Å; F313-L539 HydrophobicContact CD1-CD2 4.49Å; F313-L539 HydrophobicContact CD2-CD2 3.73Å; F313-L539 HydrophobicContact CE2-CD2 4.11Å; F313-L539 HydrophobicContact CG-CD1 4.05Å; F313-L539 HydrophobicContact CG-CD2 3.94Å; F313-P546 HydrophobicContact CE2-CG 3.76Å; F313-P546 HydrophobicContact CZ-CG 3.58Å; F313-F606 HydrophobicContact CE1-CE1 4.49Å; F313-F606 AromaticContact CZ-CE1 3.94Å; F313-F606 HydrophobicContact CZ-CE1 3.94Å
314G87.7Confident89.6Confident17 Ų1729.7 Ų29.718%0.17518%0.175CC..EExtended strand (participates in β ladder)trans-94.3-105.1165.200000110.6A381G314-A381 WeakPolarHBondContact CA-O 3.42Å; G314-A381 PolarHBondContact N-O 2.98Å
315S90Very high89.5Confident57 Ų5726.6 Ų26.640%0.39916%0.16SC..EExtended strand (participates in β ladder)trans-138.4162.1174.9-178.90000110.6A381S315-A381 VanDerWaalsContact O-CB 3.28Å; S315-A381 WeakPolarHBondContact O-CB 3.45Å; S315-A381 PolarHBondContact O-N 3.48Å
316L94.2Very high89Confident22 Ų2229.3 Ų29.312%0.11518%0.175CC..EExtended strand (participates in β ladder)trans-55.5138.5153.7-173.977000109.6F540 L608 Y610L316-F540 HydrophobicContact CB-CB 4.21Å; L316-F540 HydrophobicContact CD2-CB 4.4Å; L316-L608 HydrophobicContact CD2-CD2 3.73Å; L316-Y610 HydrophobicContact CD2-CE2 4.12Å; L316-Y610 WeakPolarHBondContact CD2-OH 3.42Å
317I94.3Very high88.2Confident7 Ų734.8 Ų34.84%0.03620%0.198CC..EExtended strand (participates in β ladder)trans-122.1139.6169.6-59.1171.9000107.8I347 H350 M351 I354 Y378 G379 A381I317-I347 HydrophobicContact CG2-CB 4.37Å; I317-I347 HydrophobicContact CG2-CG1 3.96Å; I317-I347 HydrophobicContact CG2-CG2 4.22Å; I317-H350 HydrophobicContact CD1-CB 3.89Å; I317-H350 HydrophobicContact CG1-CB 4.23Å; I317-H350 HydrophobicContact CG2-CB 3.7Å; I317-M351 HydrophobicContact CD1-CB 3.86Å; I317-M351 VanDerWaalsContact CD1-N 3.31Å; I317-I354 HydrophobicContact CD1-CD1 4.02Å; I317-I354 HydrophobicContact CG1-CD1 3.86Å; I317-Y378 CarbonylContact O-C 3.59Å; I317-Y378 VanDerWaalsContact O-CA 3.27Å; I317-Y378 WeakPolarHBondContact O-CA 3.41Å; I317-Y378 WeakPolarHBondContact O-CB 3.19Å; I317-G379 PolarHBondContact N-O 2.97Å; I317-G379 PolarHBondContact O-N 2.86Å; I317-G379 VanDerWaalsContact O-O 3.1Å; I317-A381 HydrophobicContact CD1-CB 3.7Å; I317-A381 HydrophobicContact CG1-CB 4.17Å
318A94.3Very high87.4Confident37 Ų3738.5 Ų38.531%0.30621%0.214SC..EExtended strand (participates in β ladder)trans-136.5155.4163.500000109.7S377A318-S377 CarbonylContact C-O 3.49Å; A318-S377 WeakPolarHBondContact CA-O 3.46Å
319S94.8Very high86.3Confident6 Ų640.1 Ų40.14%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-136154163.8169.40000108.8L343 E346 S377S319-L343 WeakPolarHBondContact OG-CD2 3.46Å; S319-E346 VanDerWaalsContact CB-CD 3.49Å; S319-E346 VanDerWaalsContact CB-OE1 3.24Å; S319-E346 WeakPolarHBondContact CB-OE1 3.21Å; S319-E346 WeakPolarHBondContact CB-OE2 3.4Å; S319-E346 PolarHBondContact OG-OE1 2.7Å; S319-E346 PolarHBondContact OG-OE2 3.17Å; S319-S377 PolarHBondContact N-O 3.44Å; S319-S377 PolarHBondContact O-N 2.81Å; S319-S377 VanDerWaalsContact O-O 3.13Å
320K95.2Very high84.9Confident39 Ų3945.3 Ų45.317%0.1726%0.256CS..EExtended strand (participates in β ladder)trans-140.2147.9174.8-65.4-175.5-176.359.30110.4L375 Q376 L582 D586 I612K320-L375 CarbonylContact C-O 3.59Å; K320-L375 VanDerWaalsContact CA-O 3.23Å; K320-L375 WeakPolarHBondContact CA-O 3.31Å; K320-Q376 VanDerWaalsContact CE-OE1 3.26Å; K320-Q376 HydrophobicContact CG-CB 4.02Å; K320-Q376 HydrophobicContact CG-CG 3.99Å; K320-L582 HydrophobicContact CD-CD2 4.1Å; K320-D586 WeakPolarHBondContact CE-OD1 3.26Å; K320-D586 WeakPolarHBondContact CE-OD2 3.12Å; K320-D586 IonicContact NZ-OD1 3.77Å; K320-D586 PolarHBondContact NZ-OD1 2.83Å; K320-D586 IonicContact NZ-OD2 2.98Å; K320-D586 PolarHBondContact NZ-OD2 3.5Å; K320-I612 HydrophobicContact CD-CD1 4.19Å
321S94.8Very high83.5Confident21 Ų2145.7 Ų45.715%0.14726%0.26CS..EExtended strand (participates in β ladder)trans-142.1135172.5-167.50000110.5R323 L375S321-R323 VanDerWaalsContact OG-CZ 3.31Å; S321-R323 PolarHBondContact OG-NE 2.93Å; S321-R323 PolarHBondContact OG-NH2 3.28Å; S321-L375 PolarHBondContact N-O 2.79Å; S321-L375 PolarHBondContact O-N 3.3Å
322V95Very high82.7Confident23 Ų2344.7 Ų44.714%0.13926%0.262CS..EExtended strand (participates in β ladder)trans-93.8134.2171.3-172.20000108.1V372 C373 I374 A575 S579 L582V322-V372 HydrophobicContact CG1-CG1 3.43Å; V322-V372 VanDerWaalsContact CG1-CG1 3.43Å; V322-C373 WeakPolarHBondContact CA-O 3.17Å; V322-I374 HydrophobicContact CG2-CG1 4.43Å; V322-A575 HydrophobicContact CG1-CB 4.04Å; V322-S579 WeakPolarHBondContact CB-OG 3.41Å; V322-S579 WeakPolarHBondContact CG2-OG 3.28Å; V322-L582 HydrophobicContact CG2-CD1 3.49Å; V322-L582 VanDerWaalsContact CG2-CD1 3.49Å
323R92.1Very high82.5Confident46 Ų4646 Ų4617%0.17427%0.27CS..EExtended strand (participates in β ladder)trans-133.1151.7177.5-58.1-71.5162.9140.42.8110.7S321 W339 E342 C373 L375S321-R323 VanDerWaalsContact OG-CZ 3.31Å; S321-R323 PolarHBondContact OG-NE 2.93Å; S321-R323 PolarHBondContact OG-NH2 3.28Å; R323-W339 HydrophobicContact CB-CD2 4.06Å; R323-W339 HydrophobicContact CB-CE3 3.85Å; R323-W339 HydrophobicContact CB-CH2 3.59Å; R323-W339 HydrophobicContact CB-CZ2 3.85Å; R323-W339 HydrophobicContact CB-CZ3 3.61Å; R323-W339 HydrophobicContact CG-CD2 3.65Å; R323-W339 HydrophobicContact CG-CE3 3.78Å; R323-W339 HydrophobicContact CG-CG 4.05Å; R323-W339 HydrophobicContact CG-CH2 4.28Å; R323-W339 HydrophobicContact CG-CZ2 4.22Å; R323-W339 HydrophobicContact CG-CZ3 4.09Å; R323-E342 IonicContact CZ-OE1 3.61Å; R323-E342 IonicContact CZ-OE2 2.69Å; R323-E342 IonicContact NH1-OE1 3.89Å; R323-E342 IonicContact NH1-OE2 2.69Å; R323-E342 PolarHBondContact NH1-OE2 2.84Å; R323-E342 IonicContact NH2-OE1 2.86Å; R323-E342 PolarHBondContact NH2-OE1 2.9Å; R323-E342 IonicContact NH2-OE2 3.62Å; R323-E342 PolarHBondContact NH2-OE2 2.99Å; R323-C373 PolarHBondContact N-O 2.81Å; R323-C373 PolarHBondContact O-N 3.38Å; R323-L375 HydrophobicContact CG-CD1 4.02Å
324L89.3Confident82.1Confident72 Ų7253 Ų5338%0.37730%0.303SS..EExtended strand (participates in β ladder)trans-96.1130.9175.7-173.771.4000109.8D326 D371 V372L324-D326 PolarHBondContact O-N 3.07Å; L324-D371 WeakPolarHBondContact CD1-O 3.3Å; L324-V372 HydrophobicContact CD1-CG2 4.36Å
325L85.1Confident82Confident5 Ų557.6 Ų57.63%0.02632%0.318CS..  trans-89.381173.9-56.4172.4000108.4E229 K327 W339 I368 D371 C373E229-L325 HydrophobicContact CB-CD1 4.19Å; E229-L325 HydrophobicContact CG-CD1 4.45Å; E229-L325 HydrophobicContact CG-CD2 4.44Å; L325-K327 PolarHBondContact O-N 2.99Å; L325-W339 HydrophobicContact CD2-CH2 4.23Å; L325-W339 HydrophobicContact CD2-CZ3 4.11Å; L325-I368 HydrophobicContact CD1-CG2 3.96Å; L325-D371 WeakPolarHBondContact CB-O 3.45Å; L325-D371 PolarHBondContact N-O 3.41Å; L325-C373 HydrophobicContact CD1-CB 4.39Å
326D75.3Confident81.9Confident62 Ų6255.1 Ų55.133%0.33230%0.3SS..  trans-60.1132.5174.7178.727.6000110.7L324 N328 S329L324-D326 PolarHBondContact O-N 3.07Å; D326-N328 WeakPolarHBondContact OD1-CB 3.18Å; D326-N328 PolarHBondContact OD1-N 2.81Å; D326-N328 PolarHBondContact OD1-ND2 2.89Å; D326-S329 VanDerWaalsContact O-O 3.11Å; D326-S329 WeakPolarHBondContact OD2-CB 3.38Å; D326-S329 PolarHBondContact OD2-N 3.15Å
327K68.8Low81.7Confident124 Ų12456.8 Ų56.854%0.53931%0.309SS..SBendtrans-86.3-19.5178.8-58.1-172177.1-164.80112.7E231 L325E231-K327 WeakPolarHBondContact OE2-CE 3.02Å; E231-K327 IonicContact OE2-NZ 2.71Å; E231-K327 PolarHBondContact OE2-NZ 2.79Å; L325-K327 PolarHBondContact O-N 2.99Å
328N63.7Low81.6Confident145 Ų14558.6 Ų58.678%0.77533%0.325SS*.SBendtrans-91.4-37.4-173.5-54.1-77.9000111.9D326 P330D326-N328 WeakPolarHBondContact OD1-CB 3.18Å; D326-N328 PolarHBondContact OD1-N 2.81Å; D326-N328 PolarHBondContact OD1-ND2 2.89Å; N328-P330 WeakPolarHBondContact O-CD 3.39Å
329S59.7Low81.6Confident59 Ų5958.3 Ų58.341%0.41332%0.316SS..SBendtrans-93.4104.6163.8-172.60000109.2D326 A331D326-S329 VanDerWaalsContact O-O 3.11Å; D326-S329 WeakPolarHBondContact OD2-CB 3.38Å; D326-S329 PolarHBondContact OD2-N 3.15Å; S329-A331 PolarHBondContact O-N 3.29Å
330P56.4Low81.5Confident109 Ų10958.2 Ų58.271%0.70831%0.314SS*.  trans-6689.8169.428.1-33.3000108N328 G332N328-P330 WeakPolarHBondContact O-CD 3.39Å; P330-G332 PolarHBondContact O-N 3.18Å
331A59.1Low81.5Confident14 Ų1460.4 Ų60.412%0.11633%0.328CS..  trans-69.878.4-170.300000110.5S329 F335S329-A331 PolarHBondContact O-N 3.29Å; A331-F335 HydrophobicContact CB-CB 4.19Å; A331-F335 HydrophobicContact CB-CD2 4.06Å; A331-F335 HydrophobicContact CB-CG 4.24Å
332G70.8Confident81.4Confident31 Ų3164 Ų6432%0.3234%0.342SS..  trans-56.5159-171.200000113.6P330 Q334 F335P330-G332 PolarHBondContact O-N 3.18Å; G332-Q334 PolarHBondContact O-N 3.37Å; G332-F335 WeakPolarHBondContact O-CD2 3.48Å; G332-F335 PolarHBondContact O-N 3.5Å
333I82.1Confident81.4Confident62 Ų6263 Ų6332%0.31834%0.336SS..THydrogen-bonded Turntrans-18.9-50.7-175.9-154.1174.5000116.7L168 M170 F335 R336 D337L168-I333 HydrophobicContact CD2-CD1 4.27Å; L168-I333 HydrophobicContact CD2-CG1 3.5Å; M170-I333 HydrophobicContact CB-CG1 4.48Å; I333-F335 VanDerWaalsContact C-N 3.29Å; I333-F335 PolarHBondContact O-N 2.9Å; I333-R336 PolarHBondContact O-N 3.17Å; I333-R336 VanDerWaalsContact O-N 3.07Å; I333-D337 PolarHBondContact O-N 3.49Å
334Q82.3Confident81.6Confident156 Ų15661.1 Ų61.173%0.72933%0.329SS*.Hα-helixtrans-53.8-35.5178.8-60.7178.25.600114.4G332 A338G332-Q334 PolarHBondContact O-N 3.37Å; Q334-A338 VanDerWaalsContact O-CB 3.27Å; Q334-A338 WeakPolarHBondContact O-CB 3.28Å; Q334-A338 PolarHBondContact O-N 3.13Å
335F85.4Confident81.8Confident112 Ų11261.3 Ų61.349%0.49133%0.333SS..Hα-helixtrans-71.3-39.8177.7-71.5-79.1000111.9A331 G332 I333 A338 W339A331-F335 HydrophobicContact CB-CB 4.19Å; A331-F335 HydrophobicContact CB-CD2 4.06Å; A331-F335 HydrophobicContact CB-CG 4.24Å; G332-F335 WeakPolarHBondContact O-CD2 3.48Å; G332-F335 PolarHBondContact O-N 3.5Å; I333-F335 VanDerWaalsContact C-N 3.29Å; I333-F335 PolarHBondContact O-N 2.9Å; F335-A338 PolarHBondContact O-N 3.47Å; F335-W339 PolarHBondContact O-N 2.96Å
336R88.4Confident82.2Confident5 Ų564.4 Ų64.42%0.01935%0.347CS..Hα-helixtrans-68.2-42.7175.7-59.1-63.1-174.4-90.5-12.7110.6L168 M170 E229 V235 I333 A338 W339 W340L168-R336 HydrophobicContact CD1-CB 3.81Å; L168-R336 HydrophobicContact CD2-CB 4.39Å; M170-R336 HydrophobicContact CE-CG 3.64Å; E229-R336 VanDerWaalsContact CD-NE 3.29Å; E229-R336 WeakPolarHBondContact OE1-CD 3.41Å; E229-R336 IonicContact OE1-CZ 2.73Å; E229-R336 IonicContact OE1-NE 3.21Å; E229-R336 PolarHBondContact OE1-NE 3.07Å; E229-R336 IonicContact OE1-NH2 3.94Å; E229-R336 IonicContact OE2-CZ 2.77Å; E229-R336 VanDerWaalsContact OE2-CZ 3.27Å; E229-R336 IonicContact OE2-NE 3.68Å; E229-R336 PolarHBondContact OE2-NE 2.93Å; E229-R336 IonicContact OE2-NH2 3.51Å; E229-R336 PolarHBondContact OE2-NH2 3.21Å; V235-R336 HydrophobicContact CG2-CG 4.12Å; I333-R336 PolarHBondContact O-N 3.17Å; I333-R336 VanDerWaalsContact O-N 3.07Å; R336-A338 VanDerWaalsContact C-N 3.31Å; R336-A338 PolarHBondContact O-N 3.16Å; R336-W339 VanDerWaalsContact NH1-CZ3 3.32Å; R336-W339 PolarHBondContact O-N 3.07Å; R336-W340 VanDerWaalsContact O-CD1 3.24Å; R336-W340 PolarHBondContact O-N 3.21Å; R336-W340 VanDerWaalsContact O-N 3.16Å
337D89.4Confident83.2Confident58 Ų5861.5 Ų61.531%0.3133%0.332SS..Hα-helixtrans-57.9-42.8172.2-72.2-38.3000111.7L168 I333 W340 L341L168-D337 VanDerWaalsContact CB-OD1 3.3Å; L168-D337 WeakPolarHBondContact CB-OD1 3.49Å; I333-D337 PolarHBondContact O-N 3.49Å; D337-W340 PolarHBondContact O-N 3.13Å; D337-L341 WeakPolarHBondContact O-CB 3.45Å; D337-L341 PolarHBondContact O-N 2.92Å
338A91.8Very high84.3Confident45 Ų4556.1 Ų56.137%0.37231%0.309SS..Hα-helixtrans-64.7-41.6177.200000113.1Q334 F335 R336 L341 E342Q334-A338 VanDerWaalsContact O-CB 3.27Å; Q334-A338 WeakPolarHBondContact O-CB 3.28Å; Q334-A338 PolarHBondContact O-N 3.13Å; F335-A338 PolarHBondContact O-N 3.47Å; R336-A338 VanDerWaalsContact C-N 3.31Å; R336-A338 PolarHBondContact O-N 3.16Å; A338-L341 WeakPolarHBondContact O-CB 3.33Å; A338-L341 PolarHBondContact O-N 3.33Å; A338-E342 PolarHBondContact O-N 2.77Å
339W93.4Very high85.6Confident31 Ų3151.8 Ų51.812%0.11729%0.293CS..Hα-helixtrans-62.6-42.8177.4-63.3-11.7000112.2R323 L325 F335 R336 E342 L343 L375R323-W339 HydrophobicContact CB-CD2 4.06Å; R323-W339 HydrophobicContact CB-CE3 3.85Å; R323-W339 HydrophobicContact CB-CH2 3.59Å; R323-W339 HydrophobicContact CB-CZ2 3.85Å; R323-W339 HydrophobicContact CB-CZ3 3.61Å; R323-W339 HydrophobicContact CG-CD2 3.65Å; R323-W339 HydrophobicContact CG-CE3 3.78Å; R323-W339 HydrophobicContact CG-CG 4.05Å; R323-W339 HydrophobicContact CG-CH2 4.28Å; R323-W339 HydrophobicContact CG-CZ2 4.22Å; R323-W339 HydrophobicContact CG-CZ3 4.09Å; L325-W339 HydrophobicContact CD2-CH2 4.23Å; L325-W339 HydrophobicContact CD2-CZ3 4.11Å; F335-W339 PolarHBondContact O-N 2.96Å; R336-W339 VanDerWaalsContact NH1-CZ3 3.32Å; R336-W339 PolarHBondContact O-N 3.07Å; W339-E342 WeakPolarHBondContact O-CB 3.39Å; W339-E342 PolarHBondContact O-N 2.85Å; W339-L343 PolarHBondContact O-N 3.05Å; W339-L375 HydrophobicContact CB-CD1 3.69Å; W339-L375 HydrophobicContact CD2-CD1 4.47Å; W339-L375 HydrophobicContact CE3-CD1 4.03Å; W339-L375 HydrophobicContact CG-CD1 4.41Å
340W94.2Very high87.1Confident3 Ų352.4 Ų52.41%0.01129%0.29CS..Hα-helixtrans-73.5-34.1175.8-71.5106.4000112.5R237 R336 D337 E342 L343 R344 E364 E365 C366 L375 S377R237-W340 VanDerWaalsContact CD-NE1 3.31Å; R336-W340 VanDerWaalsContact O-CD1 3.24Å; R336-W340 PolarHBondContact O-N 3.21Å; R336-W340 VanDerWaalsContact O-N 3.16Å; D337-W340 PolarHBondContact O-N 3.13Å; W340-E342 VanDerWaalsContact C-N 3.29Å; W340-E342 PolarHBondContact O-N 2.92Å; W340-L343 HydrophobicContact CD2-CD1 4.43Å; W340-L343 HydrophobicContact CE3-CD1 3.69Å; W340-L343 HydrophobicContact CZ3-CD1 3.83Å; W340-L343 PolarHBondContact O-N 3.28Å; W340-R344 VanDerWaalsContact CB-CZ 3.48Å; W340-R344 VanDerWaalsContact CB-NH1 3.29Å; W340-R344 WeakPolarHBondContact O-CB 3.13Å; W340-R344 WeakPolarHBondContact O-CG 3.44Å; W340-R344 PolarHBondContact O-N 3.19Å; W340-E364 HydrophobicContact CE3-CB 4.32Å; W340-E364 HydrophobicContact CE3-CG 4.03Å; W340-E364 HydrophobicContact CH2-CB 3.93Å; W340-E364 HydrophobicContact CZ3-CB 3.63Å; W340-E364 HydrophobicContact CZ3-CG 3.74Å; W340-E365 WeakPolarHBondContact CH2-O 3.49Å; W340-C366 HydrophobicContact CZ2-CB 4.34Å; W340-L375 HydrophobicContact CH2-CB 4.16Å; W340-L375 HydrophobicContact CH2-CD2 4.36Å; W340-L375 HydrophobicContact CZ2-CB 4.29Å; W340-L375 HydrophobicContact CZ2-CD2 3.7Å; W340-L375 HydrophobicContact CZ2-CG 4.46Å; W340-L375 HydrophobicContact CZ3-CB 4.49Å; W340-S377 WeakPolarHBondContact CZ3-OG 3.49Å
341L93.6Very high88.8Confident85 Ų8547.4 Ų47.445%0.44526%0.257SS..Hα-helixtrans-56.7-43.3171.4171.859.5000111.4F297 D337 A338 R344 T345F297-L341 HydrophobicContact CZ-CD1 3.74Å; D337-L341 WeakPolarHBondContact O-CB 3.45Å; D337-L341 PolarHBondContact O-N 2.92Å; A338-L341 WeakPolarHBondContact O-CB 3.33Å; A338-L341 PolarHBondContact O-N 3.33Å; L341-R344 PolarHBondContact O-N 2.68Å; L341-T345 HydrophobicContact CD1-CG2 3.99Å; L341-T345 WeakPolarHBondContact O-CG2 3.18Å; L341-T345 PolarHBondContact O-N 2.69Å; L341-T345 PolarHBondContact O-OG1 2.83Å
342E94.5Very high90.2Very high96 Ų9653.9 Ų53.945%0.44928%0.278SS..Hα-helixtrans-55.8-57176.9-154-175.6119.200111.2R323 A338 W339 W340 R344 T345 E346R323-E342 IonicContact CZ-OE1 3.61Å; R323-E342 IonicContact CZ-OE2 2.69Å; R323-E342 IonicContact NH1-OE1 3.89Å; R323-E342 IonicContact NH1-OE2 2.69Å; R323-E342 PolarHBondContact NH1-OE2 2.84Å; R323-E342 IonicContact NH2-OE1 2.86Å; R323-E342 PolarHBondContact NH2-OE1 2.9Å; R323-E342 IonicContact NH2-OE2 3.62Å; R323-E342 PolarHBondContact NH2-OE2 2.99Å; A338-E342 PolarHBondContact O-N 2.77Å; W339-E342 WeakPolarHBondContact O-CB 3.39Å; W339-E342 PolarHBondContact O-N 2.85Å; W340-E342 VanDerWaalsContact C-N 3.29Å; W340-E342 PolarHBondContact O-N 2.92Å; E342-R344 VanDerWaalsContact C-N 3.3Å; E342-R344 PolarHBondContact O-N 2.93Å; E342-T345 PolarHBondContact O-N 3.39Å; E342-T345 VanDerWaalsContact O-N 3.08Å; E342-T345 PolarHBondContact O-OG1 2.77Å; E342-E346 PolarHBondContact O-N 2.67Å
343L94.9Very high90.9Very high2 Ų256.1 Ų56.11%0.0129%0.289CS..Hα-helixtrans-54.7-42.1176.5-67174.3000112.9S319 W339 W340 E346 I347 L375S319-L343 WeakPolarHBondContact OG-CD2 3.46Å; W339-L343 PolarHBondContact O-N 3.05Å; W340-L343 HydrophobicContact CD2-CD1 4.43Å; W340-L343 HydrophobicContact CE3-CD1 3.69Å; W340-L343 HydrophobicContact CZ3-CD1 3.83Å; W340-L343 PolarHBondContact O-N 3.28Å; L343-E346 PolarHBondContact O-N 2.73Å; L343-I347 WeakPolarHBondContact O-CG1 3.5Å; L343-I347 PolarHBondContact O-N 3.2Å; L343-L375 HydrophobicContact CD1-CB 3.64Å; L343-L375 HydrophobicContact CD1-CD1 4.44Å
344R95.5Very high91Very high8 Ų856.2 Ų56.23%0.0329%0.29CS..Hα-helixtrans-67.8-38.8179.2-67.5173.8-167.8131-1.5111.5Q166 F297 F299 W340 L341 E342 I347 V348 Y362 E364Q166-R344 VanDerWaalsContact OE1-NE 3.13Å; F297-R344 HydrophobicContact CD1-CB 4.03Å; F297-R344 HydrophobicContact CD2-CB 4.47Å; F297-R344 HydrophobicContact CE1-CB 3.62Å; F297-R344 HydrophobicContact CE2-CB 4.12Å; F297-R344 HydrophobicContact CG-CB 4.46Å; F297-R344 HydrophobicContact CZ-CB 3.69Å; F299-R344 HydrophobicContact CE2-CB 3.89Å; F299-R344 HydrophobicContact CE2-CG 3.88Å; F299-R344 HydrophobicContact CZ-CB 4.27Å; W340-R344 VanDerWaalsContact CB-CZ 3.48Å; W340-R344 VanDerWaalsContact CB-NH1 3.29Å; W340-R344 WeakPolarHBondContact O-CB 3.13Å; W340-R344 WeakPolarHBondContact O-CG 3.44Å; W340-R344 PolarHBondContact O-N 3.19Å; L341-R344 PolarHBondContact O-N 2.68Å; E342-R344 VanDerWaalsContact C-N 3.3Å; E342-R344 PolarHBondContact O-N 2.93Å; R344-I347 PolarHBondContact O-N 2.71Å; R344-V348 WeakPolarHBondContact O-CG2 3.25Å; R344-V348 PolarHBondContact O-N 3.01Å; R344-V348 VanDerWaalsContact O-N 3.08Å; R344-Y362 WeakPolarHBondContact CG-OH 3.36Å; R344-E364 IonicContact CZ-OE1 3.65Å; R344-E364 IonicContact CZ-OE2 2.74Å; R344-E364 IonicContact NE-OE1 3.31Å; R344-E364 PolarHBondContact NE-OE1 3.02Å; R344-E364 IonicContact NH2-OE1 3.41Å; R344-E364 PolarHBondContact NH2-OE1 2.85Å; R344-E364 IonicContact NH2-OE2 2.72Å; R344-E364 PolarHBondContact NH2-OE2 2.84Å
345T93.3Very high91.1Very high75 Ų7549.4 Ų49.446%0.4626%0.262SS..Hα-helixtrans-67.4-38.1175.6560000112.9F297 L341 E342 V348 A349F297-T345 HydrophobicContact CE1-CG2 4.47Å; L341-T345 HydrophobicContact CD1-CG2 3.99Å; L341-T345 WeakPolarHBondContact O-CG2 3.18Å; L341-T345 PolarHBondContact O-N 2.69Å; L341-T345 PolarHBondContact O-OG1 2.83Å; E342-T345 PolarHBondContact O-N 3.39Å; E342-T345 VanDerWaalsContact O-N 3.08Å; E342-T345 PolarHBondContact O-OG1 2.77Å; T345-V348 PolarHBondContact O-N 2.96Å; T345-A349 PolarHBondContact O-N 3.34Å
346E94.4Very high91.3Very high71 Ų7144.7 Ų44.733%0.33224%0.243SC..Hα-helixtrans-63.1-45.3174.4-167.2-160.2132.800111.4S319 E342 L343 V348 A349 H350S319-E346 VanDerWaalsContact CB-CD 3.49Å; S319-E346 VanDerWaalsContact CB-OE1 3.24Å; S319-E346 WeakPolarHBondContact CB-OE1 3.21Å; S319-E346 WeakPolarHBondContact CB-OE2 3.4Å; S319-E346 PolarHBondContact OG-OE1 2.7Å; S319-E346 PolarHBondContact OG-OE2 3.17Å; E342-E346 PolarHBondContact O-N 2.67Å; L343-E346 PolarHBondContact O-N 2.73Å; E346-V348 VanDerWaalsContact C-N 3.3Å; E346-V348 PolarHBondContact O-N 3.23Å; E346-A349 WeakPolarHBondContact O-CA 3.37Å; E346-A349 WeakPolarHBondContact O-CB 3.48Å; E346-A349 PolarHBondContact O-N 3.44Å; E346-H350 PolarHBondContact O-N 2.75Å; E346-H350 IonicContact OE1-CE1 3.08Å; E346-H350 PolarHBondContact OE1-CE1 3.05Å; E346-H350 IonicContact OE1-ND1 3.65Å
347I94.6Very high91.3Very high0 Ų046.3 Ų46.30%025%0.251CS..Hα-helixtrans-62.8-36.3177-72.4177.4000111.8F299 I317 L343 R344 M351 V359 Y362F299-I347 HydrophobicContact CE1-CG2 3.86Å; F299-I347 HydrophobicContact CZ-CB 4.28Å; F299-I347 HydrophobicContact CZ-CG2 3.89Å; I317-I347 HydrophobicContact CG2-CB 4.37Å; I317-I347 HydrophobicContact CG2-CG1 3.96Å; I317-I347 HydrophobicContact CG2-CG2 4.22Å; L343-I347 WeakPolarHBondContact O-CG1 3.5Å; L343-I347 PolarHBondContact O-N 3.2Å; R344-I347 PolarHBondContact O-N 2.71Å; I347-M351 VanDerWaalsContact O-CB 3.29Å; I347-M351 WeakPolarHBondContact O-CB 3.45Å; I347-M351 PolarHBondContact O-N 2.88Å; I347-V359 HydrophobicContact CG2-CG2 3.97Å; I347-Y362 HydrophobicContact CD1-CE2 4Å; I347-Y362 HydrophobicContact CG2-CE2 4.49Å
348V93.4Very high91.4Very high12 Ų1243.5 Ų43.57%0.07324%0.237CC..Hα-helixtrans-66.1-36.8171.1169.70000111.9F297 P298 F299 R344 T345 E346 R352F297-V348 HydrophobicContact CD1-CG2 3.93Å; P298-V348 HydrophobicContact CG-CG2 4.12Å; F299-V348 HydrophobicContact CE1-CG2 3.64Å; F299-V348 HydrophobicContact CZ-CG2 3.72Å; R344-V348 WeakPolarHBondContact O-CG2 3.25Å; R344-V348 PolarHBondContact O-N 3.01Å; R344-V348 VanDerWaalsContact O-N 3.08Å; T345-V348 PolarHBondContact O-N 2.96Å; E346-V348 VanDerWaalsContact C-N 3.3Å; E346-V348 PolarHBondContact O-N 3.23Å; V348-R352 HydrophobicContact CG1-CG 4.5Å; V348-R352 WeakPolarHBondContact O-CB 3.42Å; V348-R352 WeakPolarHBondContact O-CD 3.4Å; V348-R352 VanDerWaalsContact O-CG 3.24Å; V348-R352 WeakPolarHBondContact O-CG 3.18Å; V348-R352 PolarHBondContact O-N 2.87Å
349A90.8Very high91.5Very high53 Ų5341.4 Ų41.444%0.43822%0.219SC..Hα-helixtrans-64.8-47.3175.300000111.5T345 E346 M351 R352 S353T345-A349 PolarHBondContact O-N 3.34Å; E346-A349 WeakPolarHBondContact O-CA 3.37Å; E346-A349 WeakPolarHBondContact O-CB 3.48Å; E346-A349 PolarHBondContact O-N 3.44Å; A349-M351 PolarHBondContact O-N 2.94Å; A349-R352 PolarHBondContact O-N 3.41Å; A349-S353 PolarHBondContact O-N 2.92Å
350H90.7Very high91.6Very high72 Ų7239.9 Ų39.933%0.33321%0.213SC..Hα-helixtrans-61.8-39.8175.3-68.3164000112.8I317 E346 R352 S353 I354I317-H350 HydrophobicContact CD1-CB 3.89Å; I317-H350 HydrophobicContact CG1-CB 4.23Å; I317-H350 HydrophobicContact CG2-CB 3.7Å; E346-H350 PolarHBondContact O-N 2.75Å; E346-H350 IonicContact OE1-CE1 3.08Å; E346-H350 PolarHBondContact OE1-CE1 3.05Å; E346-H350 IonicContact OE1-ND1 3.65Å; H350-R352 VanDerWaalsContact C-N 3.33Å; H350-R352 PolarHBondContact O-N 3.28Å; H350-S353 PolarHBondContact O-N 2.95Å; H350-S353 PolarHBondContact O-OG 3.47Å; H350-S353 VanDerWaalsContact O-OG 3.04Å; H350-I354 WeakPolarHBondContact O-CD1 3.14Å; H350-I354 WeakPolarHBondContact O-CG1 3.47Å; H350-I354 PolarHBondContact O-N 3.19Å; H350-I354 VanDerWaalsContact O-N 3.14Å
351M92Very high91.6Very high5 Ų539.8 Ų39.83%0.02521%0.213CC..Hα-helixtrans-60.8-42.8174.4-176.9-160.677.600111.5P298 I317 I347 A349 G355 C356 D357 A358 V359 A381P298-M351 HydrophobicContact CG-CE 3.88Å; P298-M351 HydrophobicContact CG-SD 4.06Å; I317-M351 HydrophobicContact CD1-CB 3.86Å; I317-M351 VanDerWaalsContact CD1-N 3.31Å; I347-M351 VanDerWaalsContact O-CB 3.29Å; I347-M351 WeakPolarHBondContact O-CB 3.45Å; I347-M351 PolarHBondContact O-N 2.88Å; A349-M351 PolarHBondContact O-N 2.94Å; M351-G355 PolarHBondContact O-N 2.97Å; M351-G355 VanDerWaalsContact O-N 3.16Å; M351-C356 HydrophobicContact CG-CB 3.85Å; M351-C356 PolarHBondContact O-N 2.72Å; M351-D357 VanDerWaalsContact SD-C 3.57Å; M351-A358 WeakPolarHBondContact SD-CA 3.42Å; M351-A358 PolarHBondContact SD-N 3.43Å; M351-A358 VanDerWaalsContact SD-N 3.42Å; M351-V359 HydrophobicContact CB-CG2 4.07Å; M351-V359 HydrophobicContact CG-CG2 3.93Å; M351-V359 HydrophobicContact SD-CG2 3.69Å; M351-A381 HydrophobicContact CG-CB 4.48Å
352R88.8Confident91.7Very high149 Ų14935.7 Ų35.756%0.56219%0.192SC*.Hα-helixtrans-71.7-35.9179.5-72.7170.1178.7172.62.1113.1V348 A349 H350 G355V348-R352 HydrophobicContact CG1-CG 4.5Å; V348-R352 WeakPolarHBondContact O-CB 3.42Å; V348-R352 WeakPolarHBondContact O-CD 3.4Å; V348-R352 VanDerWaalsContact O-CG 3.24Å; V348-R352 WeakPolarHBondContact O-CG 3.18Å; V348-R352 PolarHBondContact O-N 2.87Å; A349-R352 PolarHBondContact O-N 3.41Å; H350-R352 VanDerWaalsContact C-N 3.33Å; H350-R352 PolarHBondContact O-N 3.28Å; R352-G355 WeakPolarHBondContact O-CA 3.49Å; R352-G355 PolarHBondContact O-N 3.09Å; R352-G355 VanDerWaalsContact O-N 3.09Å
353S86Confident91.8Very high79 Ų7932.1 Ų32.155%0.55217%0.174SC*.Hα-helixtrans-69.8-39.3177.9660000112.3A349 H350 G355A349-S353 PolarHBondContact O-N 2.92Å; H350-S353 PolarHBondContact O-N 2.95Å; H350-S353 PolarHBondContact O-OG 3.47Å; H350-S353 VanDerWaalsContact O-OG 3.04Å; S353-G355 PolarHBondContact O-N 2.95Å
354I84.2Confident91.8Very high63 Ų6332 Ų3232%0.32317%0.173SC..Hα-helixtrans-63.7-25168.7-66161.5000111.2I317 H350 A381I317-I354 HydrophobicContact CD1-CD1 4.02Å; I317-I354 HydrophobicContact CG1-CD1 3.86Å; H350-I354 WeakPolarHBondContact O-CD1 3.14Å; H350-I354 WeakPolarHBondContact O-CG1 3.47Å; H350-I354 PolarHBondContact O-N 3.19Å; H350-I354 VanDerWaalsContact O-N 3.14Å; I354-A381 HydrophobicContact CD1-CB 4.37Å
355G83.2Confident91.6Very high14 Ų1432.6 Ų32.614%0.14418%0.176CC..THydrogen-bonded Turntrans90.423.2176.900000114.6M351 R352 S353 R517M351-G355 PolarHBondContact O-N 2.97Å; M351-G355 VanDerWaalsContact O-N 3.16Å; R352-G355 WeakPolarHBondContact O-CA 3.49Å; R352-G355 PolarHBondContact O-N 3.09Å; R352-G355 VanDerWaalsContact O-N 3.09Å; S353-G355 PolarHBondContact O-N 2.95Å; G355-R517 VanDerWaalsContact CA-NH2 3.27Å
356C89.2Confident91.6Very high13 Ų1330.4 Ų30.49%0.08816%0.164CC..  trans-90.5164.9172.5-72.60000111.5M351 A381 V382M351-C356 HydrophobicContact CG-CB 3.85Å; M351-C356 PolarHBondContact O-N 2.72Å; C356-A381 HydrophobicContact CB-CB 3.87Å; C356-V382 VanDerWaalsContact CB-O 3.31Å; C356-V382 WeakPolarHBondContact CB-O 3.02Å; C356-V382 VanDerWaalsContact SG-C 3.57Å
357D88.6Confident91.5Very high38 Ų3828.3 Ų28.320%0.20316%0.156CC..SBendtrans-117.8-11.5-177.856.316.3000114.3M351 V382 Q383 I384M351-D357 VanDerWaalsContact SD-C 3.57Å; D357-V382 PolarHBondContact N-O 3.07Å; D357-Q383 WeakPolarHBondContact OD1-CA 3.3Å; D357-I384 PolarHBondContact OD1-N 3.47Å
358A91.7Very high91.2Very high0 Ų030.6 Ų30.60%017%0.168CC..EExtended strand (participates in β ladder)trans-144.1162.5170.100000113.7L292 P298 M351 V382 I384L292-A358 HydrophobicContact CD1-CB 4.25Å; P298-A358 VanDerWaalsContact O-CA 3.31Å; P298-A358 WeakPolarHBondContact O-CA 3.37Å; P298-A358 WeakPolarHBondContact O-CB 3.18Å; M351-A358 WeakPolarHBondContact SD-CA 3.42Å; M351-A358 PolarHBondContact SD-N 3.43Å; M351-A358 VanDerWaalsContact SD-N 3.42Å; A358-V382 HydrophobicContact CB-CG2 4.39Å; A358-V382 PolarHBondContact N-O 2.93Å; A358-V382 PolarHBondContact O-N 3.11Å; A358-I384 HydrophobicContact CB-CD1 3.39Å; A358-I384 HydrophobicContact CB-CG1 3.89Å
359V94.7Very high90.9Very high0 Ų031.5 Ų31.50%017%0.17CC..EExtended strand (participates in β ladder)trans-111.9120.3170-172.70000109.7P298 F299 L300 I347 M351 Y362 T380P298-V359 PolarHBondContact O-N 3.36Å; F299-V359 CarbonylContact C-O 3.52Å; F299-V359 WeakPolarHBondContact CA-O 3.45Å; F299-V359 HydrophobicContact CD1-CB 3.72Å; F299-V359 HydrophobicContact CD1-CG2 3.77Å; F299-V359 HydrophobicContact CE1-CB 4.22Å; F299-V359 HydrophobicContact CE1-CG2 3.79Å; L300-V359 PolarHBondContact N-O 3.4Å; I347-V359 HydrophobicContact CG2-CG2 3.97Å; M351-V359 HydrophobicContact CB-CG2 4.07Å; M351-V359 HydrophobicContact CG-CG2 3.93Å; M351-V359 HydrophobicContact SD-CG2 3.69Å; V359-Y362 HydrophobicContact CG1-CD2 4.31Å; V359-T380 CarbonylContact C-O 3.58Å; V359-T380 WeakPolarHBondContact CA-O 3.46Å
360L94.5Very high90.6Very high0 Ų033.7 Ų33.70%017%0.171CC..EExtended strand (participates in β ladder)trans-97.8152.6178.7-171.563.6000111.6L300 I302 P305 M309 I310 Y362 T380 V382L300-L360 HydrophobicContact CB-CD1 3.86Å; L300-L360 HydrophobicContact CD1-CD1 4.03Å; L300-L360 CarbonylContact O-C 3.59Å; I302-L360 HydrophobicContact CB-CD1 4.47Å; I302-L360 WeakPolarHBondContact O-CD1 3.41Å; P305-L360 HydrophobicContact CB-CD2 4.07Å; P305-L360 HydrophobicContact CG-CD2 3.88Å; M309-L360 HydrophobicContact CE-CD1 3.66Å; M309-L360 HydrophobicContact CE-CD2 3.65Å; M309-L360 HydrophobicContact CE-CG 4.31Å; I310-L360 HydrophobicContact CD1-CD2 3.87Å; I310-L360 HydrophobicContact CG1-CD2 4.37Å; L360-Y362 VanDerWaalsContact C-N 3.26Å; L360-Y362 PolarHBondContact O-N 2.82Å; L360-T380 PolarHBondContact N-O 3.44Å; L360-T380 PolarHBondContact O-N 3.39Å; L360-V382 HydrophobicContact CB-CG1 4.35Å; L360-V382 HydrophobicContact CB-CG2 3.99Å
361A94.7Very high90.4Very high0 Ų032 Ų320%016%0.164CC..EExtended strand (participates in β ladder)trans51.446.1-178.100000112.5L300 I302 S542L300-A361 WeakPolarHBondContact O-CA 3.45Å; L300-A361 PolarHBondContact O-N 2.96Å; I302-A361 WeakPolarHBondContact O-CA 3.17Å; I302-A361 PolarHBondContact O-N 2.91Å; I302-A361 VanDerWaalsContact O-N 3.14Å; A361-S542 WeakPolarHBondContact CB-OG 3.41Å; A361-S542 PolarHBondContact O-OG 3.07Å
362Y96.6Very high90.4Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-71.9135.9180179.1-94.3000111.9F164 Q223 I239 F299 L300 R344 I347 V359 L360 E364 S377 Y378F164-Y362 AromaticContact CE2-CD1 3.7Å; F164-Y362 HydrophobicContact CE2-CD1 3.7Å; F164-Y362 AromaticContact CE2-CE1 3.92Å; F164-Y362 HydrophobicContact CE2-CE1 3.92Å; F164-Y362 AromaticContact CZ-CD1 3.97Å; F164-Y362 HydrophobicContact CZ-CD1 3.97Å; F164-Y362 AromaticContact CZ-CE1 3.67Å; F164-Y362 HydrophobicContact CZ-CE1 3.67Å; Q223-Y362 PolarHBondContact NE2-O 3.07Å; I239-Y362 HydrophobicContact CD1-CD1 4.32Å; I239-Y362 HydrophobicContact CD1-CE1 4.26Å; F299-Y362 HydrophobicContact CB-CD1 4.31Å; F299-Y362 HydrophobicContact CB-CD2 4.45Å; F299-Y362 HydrophobicContact CB-CG 4.03Å; F299-Y362 HydrophobicContact CD1-CD2 4.46Å; F299-Y362 HydrophobicContact CD2-CD1 4.08Å; F299-Y362 AromaticContact CD2-CD2 3.94Å; F299-Y362 HydrophobicContact CD2-CD2 3.94Å; F299-Y362 AromaticContact CD2-CE1 3.98Å; F299-Y362 HydrophobicContact CD2-CE1 3.98Å; F299-Y362 AromaticContact CD2-CE2 3.83Å; F299-Y362 HydrophobicContact CD2-CE2 3.83Å; F299-Y362 HydrophobicContact CD2-CG 4.07Å; F299-Y362 AromaticContact CD2-CZ 3.86Å; F299-Y362 HydrophobicContact CE2-CD2 4.26Å; F299-Y362 HydrophobicContact CE2-CE1 4.42Å; F299-Y362 AromaticContact CE2-CE2 3.76Å; F299-Y362 HydrophobicContact CE2-CE2 3.76Å; F299-Y362 AromaticContact CE2-CZ 3.87Å; F299-Y362 HydrophobicContact CG-CD1 4.46Å; F299-Y362 HydrophobicContact CG-CD2 4.05Å; F299-Y362 HydrophobicContact CG-CE2 4.37Å; F299-Y362 HydrophobicContact CG-CG 4.11Å; F299-Y362 HydrophobicContact CZ-CE2 4.23Å; L300-Y362 PolarHBondContact O-N 2.9Å; R344-Y362 WeakPolarHBondContact CG-OH 3.36Å; I347-Y362 HydrophobicContact CD1-CE2 4Å; I347-Y362 HydrophobicContact CG2-CE2 4.49Å; V359-Y362 HydrophobicContact CG1-CD2 4.31Å; L360-Y362 VanDerWaalsContact C-N 3.26Å; L360-Y362 PolarHBondContact O-N 2.82Å; Y362-E364 HydrophobicContact CE1-CG 3.68Å; Y362-E364 WeakPolarHBondContact CE1-OE1 3.39Å; Y362-E364 WeakPolarHBondContact OH-CG 3.36Å; Y362-E364 PolarHBondContact OH-OE1 2.91Å; Y362-S377 PolarHBondContact OH-OG 3.39Å; Y362-Y378 WeakPolarHBondContact CA-O 3.39Å
363R95.1Very high90.5Very high21 Ų2124.8 Ų24.88%0.07914%0.137CC..EExtended strand (participates in β ladder)trans-142.5151.2-177.4-60.5-170.8178.7-85.6-6.6111.8S303 S377 Y378S303-R363 PolarHBondContact OG-NH2 3.48Å; R363-S377 WeakPolarHBondContact O-CA 3.47Å; R363-Y378 HydrophobicContact CB-CD1 4.42Å; R363-Y378 HydrophobicContact CB-CE1 4Å; R363-Y378 HydrophobicContact CB-CE2 4.44Å; R363-Y378 PolarHBondContact N-O 2.78Å; R363-Y378 PolarHBondContact O-N 2.81Å
364E95Very high90.9Very high0 Ų021.1 Ų21.10%011%0.112CC..EExtended strand (participates in β ladder)trans-124.7139.5175.2-67.5-179.6-173.900109.2H225 R237 I239 W340 R344 Y362 Q376H225-E364 PolarHBondContact CE1-O 2.99Å; R237-E364 IonicContact NH1-OE2 3.4Å; R237-E364 PolarHBondContact NH1-OE2 3.3Å; I239-E364 HydrophobicContact CD1-CB 4.18Å; I239-E364 HydrophobicContact CD1-CG 4.01Å; W340-E364 HydrophobicContact CE3-CB 4.32Å; W340-E364 HydrophobicContact CE3-CG 4.03Å; W340-E364 HydrophobicContact CH2-CB 3.93Å; W340-E364 HydrophobicContact CZ3-CB 3.63Å; W340-E364 HydrophobicContact CZ3-CG 3.74Å; R344-E364 IonicContact CZ-OE1 3.65Å; R344-E364 IonicContact CZ-OE2 2.74Å; R344-E364 IonicContact NE-OE1 3.31Å; R344-E364 PolarHBondContact NE-OE1 3.02Å; R344-E364 IonicContact NH2-OE1 3.41Å; R344-E364 PolarHBondContact NH2-OE1 2.85Å; R344-E364 IonicContact NH2-OE2 2.72Å; R344-E364 PolarHBondContact NH2-OE2 2.84Å; Y362-E364 HydrophobicContact CE1-CG 3.68Å; Y362-E364 WeakPolarHBondContact CE1-OE1 3.39Å; Y362-E364 WeakPolarHBondContact OH-CG 3.36Å; Y362-E364 PolarHBondContact OH-OE1 2.91Å; E364-Q376 CarbonylContact C-O 3.52Å; E364-Q376 WeakPolarHBondContact CA-O 3.49Å
365E93Very high91.4Very high20 Ų2018.3 Ų18.39%0.09310%0.097CC..EExtended strand (participates in β ladder)trans-140.3135.5-176.9-63.2-72.9162.900108.6W340 Q376 Y378 R611W340-E365 WeakPolarHBondContact CH2-O 3.49Å; E365-Q376 HydrophobicContact CB-CB 4.32Å; E365-Q376 PolarHBondContact N-O 3.02Å; E365-Q376 PolarHBondContact O-N 3.46Å; E365-Y378 HydrophobicContact CG-CE1 3.91Å; E365-R611 IonicContact OE1-CZ 3.26Å; E365-R611 IonicContact OE1-NH1 3.54Å; E365-R611 PolarHBondContact OE1-NH1 3.45Å; E365-R611 IonicContact OE2-CZ 3.96Å; E365-R611 IonicContact OE2-NH1 3.92Å; E365-R611 PolarHBondContact OE2-NH1 3.01Å
366C93.3Very high92Very high28 Ų2818 Ų1819%0.1899%0.092CC..EExtended strand (participates in β ladder)trans-119.9141.2175.9-170.50000109.2D227 W340 I374D227-C366 VanDerWaalsContact OD1-CB 3.22Å; D227-C366 WeakPolarHBondContact OD1-CB 3.44Å; W340-C366 HydrophobicContact CZ2-CB 4.34Å; C366-I374 WeakPolarHBondContact CA-O 3.38Å
367T91.9Very high92.4Very high28 Ų2817.3 Ų17.317%0.1729%0.088CC..EExtended strand (participates in β ladder)trans-132.1109.3172.3-53.80000108.4C373 I374 I612 V614T367-C373 WeakPolarHBondContact O-CA 3.35Å; T367-I374 PolarHBondContact N-O 2.81Å; T367-I374 PolarHBondContact O-N 3.12Å; T367-I612 PolarHBondContact OG1-O 3.3Å; T367-V614 HydrophobicContact CG2-CG2 4.26Å
368I88.8Confident92.8Very high48 Ų4815.5 Ų15.525%0.2468%0.078CC..EExtended strand (participates in β ladder)trans-97.3134.7179.3-61.5167.7000108.8D227 L228 E229 L325 C373D227-I368 HydrophobicContact CB-CD1 4.01Å; L228-I368 VanDerWaalsContact O-CD1 3.28Å; L228-I368 WeakPolarHBondContact O-CD1 3.19Å; E229-I368 HydrophobicContact CG-CD1 3.81Å; L325-I368 HydrophobicContact CD1-CG2 3.96Å; I368-C373 HydrophobicContact CG1-CB 3.81Å
369Y87Confident93Very high31 Ų3115.5 Ų15.512%0.1228%0.078CC..EExtended strand (participates in β ladder)trans-135.8113.4167.2173.1-92000108.5D371 V372 V614 E616Y369-D371 PolarHBondContact O-N 3.44Å; Y369-V372 PolarHBondContact N-O 3.02Å; Y369-V372 PolarHBondContact O-N 2.97Å; Y369-V372 VanDerWaalsContact O-O 3.12Å; Y369-V614 HydrophobicContact CD1-CG1 4.11Å; Y369-V614 HydrophobicContact CD2-CG1 4.19Å; Y369-V614 HydrophobicContact CG-CB 4.27Å; Y369-V614 HydrophobicContact CG-CG1 3.72Å; Y369-E616 WeakPolarHBondContact OH-CA 3.4Å
370E83.4Confident93Very high99 Ų9915.5 Ų15.546%0.4638%0.078SC..THydrogen-bonded Turntrans49.9-104.8-174.1-61-169.2152.200113.9K570E370-K570 IonicContact OE1-NZ 2.87Å; E370-K570 PolarHBondContact OE1-NZ 3.02Å; E370-K570 WeakPolarHBondContact OE2-CD 3.46Å; E370-K570 WeakPolarHBondContact OE2-CE 3.22Å; E370-K570 VanDerWaalsContact OE2-CG 3.25Å; E370-K570 WeakPolarHBondContact OE2-CG 3.49Å; E370-K570 IonicContact OE2-NZ 2.91Å; E370-K570 PolarHBondContact OE2-NZ 3.37Å
371D87.3Confident93.1Very high35 Ų3515.5 Ų15.519%0.1878%0.078CC..THydrogen-bonded Turntrans-105.38.8-179.858.7-2.6000113.5L324 L325 Y369 G571L324-D371 WeakPolarHBondContact CD1-O 3.3Å; L325-D371 WeakPolarHBondContact CB-O 3.45Å; L325-D371 PolarHBondContact N-O 3.41Å; Y369-D371 PolarHBondContact O-N 3.44Å; D371-G571 WeakPolarHBondContact OD1-CA 3.36Å; D371-G571 PolarHBondContact OD1-N 2.67Å; D371-G571 WeakPolarHBondContact OD2-CA 3.26Å; D371-G571 PolarHBondContact OD2-N 2.93Å
372V90.4Very high92.9Very high2 Ų215.5 Ų15.51%0.0128%0.078CC..EExtended strand (participates in β ladder)trans-117.7134.3177.3-174.80000110.6V322 L324 Y369 A574 A575 L578V322-V372 HydrophobicContact CG1-CG1 3.43Å; V322-V372 VanDerWaalsContact CG1-CG1 3.43Å; L324-V372 HydrophobicContact CD1-CG2 4.36Å; Y369-V372 PolarHBondContact N-O 3.02Å; Y369-V372 PolarHBondContact O-N 2.97Å; Y369-V372 VanDerWaalsContact O-O 3.12Å; V372-A574 HydrophobicContact CG2-CB 4.06Å; V372-A575 HydrophobicContact CG1-CB 4.09Å; V372-A575 HydrophobicContact CG2-CB 4.11Å; V372-L578 HydrophobicContact CB-CD1 4.46Å; V372-L578 HydrophobicContact CG1-CD1 3.93Å
373C91.6Very high92.6Very high1 Ų118 Ų181%0.0079%0.089CC..EExtended strand (participates in β ladder)trans-119.5136.9170.969.70000112.2V322 R323 L325 T367 I368V322-C373 WeakPolarHBondContact CA-O 3.17Å; R323-C373 PolarHBondContact N-O 2.81Å; R323-C373 PolarHBondContact O-N 3.38Å; L325-C373 HydrophobicContact CD1-CB 4.39Å; T367-C373 WeakPolarHBondContact O-CA 3.35Å; I368-C373 HydrophobicContact CG1-CB 3.81Å
374I95.1Very high92.2Very high3 Ų317.1 Ų17.12%0.0159%0.086CC..EExtended strand (participates in β ladder)trans-101111.4170.8-55.2175.7000107V322 C366 T367 L578 L582 I612 V614 I619V322-I374 HydrophobicContact CG2-CG1 4.43Å; C366-I374 WeakPolarHBondContact CA-O 3.38Å; T367-I374 PolarHBondContact N-O 2.81Å; T367-I374 PolarHBondContact O-N 3.12Å; I374-L578 HydrophobicContact CD1-CD1 4.49Å; I374-L578 HydrophobicContact CD1-CD2 4.4Å; I374-L582 HydrophobicContact CD1-CD1 4.27Å; I374-L582 HydrophobicContact CD1-CD2 4.47Å; I374-L582 HydrophobicContact CG1-CD1 4.45Å; I374-L582 HydrophobicContact CG2-CD1 3.87Å; I374-L582 HydrophobicContact CG2-CD2 4.47Å; I374-I612 HydrophobicContact CD1-CG2 4.31Å; I374-V614 HydrophobicContact CD1-CG2 3.68Å; I374-I619 HydrophobicContact CD1-CD1 4.23Å
375L95.2Very high91.6Very high4 Ų418.5 Ų18.52%0.0219%0.094CC..EExtended strand (participates in β ladder)trans-92.4134173.9-49.6179000108.6K320 S321 R323 W339 W340 L343K320-L375 CarbonylContact C-O 3.59Å; K320-L375 VanDerWaalsContact CA-O 3.23Å; K320-L375 WeakPolarHBondContact CA-O 3.31Å; S321-L375 PolarHBondContact N-O 2.79Å; S321-L375 PolarHBondContact O-N 3.3Å; R323-L375 HydrophobicContact CG-CD1 4.02Å; W339-L375 HydrophobicContact CB-CD1 3.69Å; W339-L375 HydrophobicContact CD2-CD1 4.47Å; W339-L375 HydrophobicContact CE3-CD1 4.03Å; W339-L375 HydrophobicContact CG-CD1 4.41Å; W340-L375 HydrophobicContact CH2-CB 4.16Å; W340-L375 HydrophobicContact CH2-CD2 4.36Å; W340-L375 HydrophobicContact CZ2-CB 4.29Å; W340-L375 HydrophobicContact CZ2-CD2 3.7Å; W340-L375 HydrophobicContact CZ2-CG 4.46Å; W340-L375 HydrophobicContact CZ3-CB 4.49Å; L343-L375 HydrophobicContact CD1-CB 3.64Å; L343-L375 HydrophobicContact CD1-CD1 4.44Å
376Q95.6Very high90.8Very high6 Ų620.4 Ų20.43%0.02811%0.108CC..EExtended strand (participates in β ladder)trans-133.7135.5176.8173.4172.1-8.100110.8K320 E364 E365 Y378K320-Q376 VanDerWaalsContact CE-OE1 3.26Å; K320-Q376 HydrophobicContact CG-CB 4.02Å; K320-Q376 HydrophobicContact CG-CG 3.99Å; E364-Q376 CarbonylContact C-O 3.52Å; E364-Q376 WeakPolarHBondContact CA-O 3.49Å; E365-Q376 HydrophobicContact CB-CB 4.32Å; E365-Q376 PolarHBondContact N-O 3.02Å; E365-Q376 PolarHBondContact O-N 3.46Å; Q376-Y378 HydrophobicContact CG-CD1 4.09Å
377S96.2Very high89.8Confident0 Ų026.2 Ų26.20%013%0.13CC..EExtended strand (participates in β ladder)trans-127.4141.9169.5-62.70000110A318 S319 W340 Y362 R363A318-S377 CarbonylContact C-O 3.49Å; A318-S377 WeakPolarHBondContact CA-O 3.46Å; S319-S377 PolarHBondContact N-O 3.44Å; S319-S377 PolarHBondContact O-N 2.81Å; S319-S377 VanDerWaalsContact O-O 3.13Å; W340-S377 WeakPolarHBondContact CZ3-OG 3.49Å; Y362-S377 PolarHBondContact OH-OG 3.39Å; R363-S377 WeakPolarHBondContact O-CA 3.47Å
378Y96.9Very high88.7Confident0 Ų027.3 Ų27.30%013%0.131CC..EExtended strand (participates in β ladder)trans-156.4159177.564.4-78.3000113.7I317 Y362 R363 E365 Q376 Y610I317-Y378 CarbonylContact O-C 3.59Å; I317-Y378 VanDerWaalsContact O-CA 3.27Å; I317-Y378 WeakPolarHBondContact O-CA 3.41Å; I317-Y378 WeakPolarHBondContact O-CB 3.19Å; Y362-Y378 WeakPolarHBondContact CA-O 3.39Å; R363-Y378 HydrophobicContact CB-CD1 4.42Å; R363-Y378 HydrophobicContact CB-CE1 4Å; R363-Y378 HydrophobicContact CB-CE2 4.44Å; R363-Y378 PolarHBondContact N-O 2.78Å; R363-Y378 PolarHBondContact O-N 2.81Å; E365-Y378 HydrophobicContact CG-CE1 3.91Å; Q376-Y378 HydrophobicContact CG-CD1 4.09Å; Y378-Y610 HydrophobicContact CD2-CD2 4.07Å; Y378-Y610 HydrophobicContact CD2-CE2 4.47Å; Y378-Y610 HydrophobicContact CE2-CD2 4.01Å; Y378-Y610 HydrophobicContact CG-CD2 4.39Å; Y378-Y610 PolarHBondContact OH-N 2.89Å
379G96.3Very high87.4Confident0 Ų026 Ų260%012%0.124CC..EExtended strand (participates in β ladder)trans-177-178.8177.900000112.6I317 S542I317-G379 PolarHBondContact N-O 2.97Å; I317-G379 PolarHBondContact O-N 2.86Å; I317-G379 VanDerWaalsContact O-O 3.1Å; G379-S542 WeakPolarHBondContact CA-OG 3.34Å
380T96Very high85.8Confident0 Ų029.8 Ų29.80%015%0.146CC..EExtended strand (participates in β ladder)trans-106.9118.4-179.7-49.70000110.8F313 V359 L360 V382 S541 S542F313-T380 HydrophobicContact CD1-CG2 3.9Å; F313-T380 HydrophobicContact CE1-CG2 4.12Å; V359-T380 CarbonylContact C-O 3.58Å; V359-T380 WeakPolarHBondContact CA-O 3.46Å; L360-T380 PolarHBondContact N-O 3.44Å; L360-T380 PolarHBondContact O-N 3.39Å; T380-V382 HydrophobicContact CG2-CG1 4.32Å; T380-V382 PolarHBondContact O-N 2.95Å; T380-S541 WeakPolarHBondContact CG2-OG 3.35Å; T380-S541 WeakPolarHBondContact OG1-CA 3.27Å; T380-S541 PolarHBondContact OG1-OG 2.94Å; T380-S542 PolarHBondContact N-OG 3.03Å; T380-S542 PolarHBondContact OG1-N 3.33Å; T380-S542 PolarHBondContact OG1-OG 2.9Å; T380-S542 VanDerWaalsContact OG1-OG 3.04Å
381A94.6Very high83.8Confident0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans-66.4126.8172.200000110.1G314 S315 I317 M351 I354 C356G314-A381 WeakPolarHBondContact CA-O 3.42Å; G314-A381 PolarHBondContact N-O 2.98Å; S315-A381 VanDerWaalsContact O-CB 3.28Å; S315-A381 WeakPolarHBondContact O-CB 3.45Å; S315-A381 PolarHBondContact O-N 3.48Å; I317-A381 HydrophobicContact CD1-CB 3.7Å; I317-A381 HydrophobicContact CG1-CB 4.17Å; M351-A381 HydrophobicContact CG-CB 4.48Å; I354-A381 HydrophobicContact CD1-CB 4.37Å; C356-A381 HydrophobicContact CB-CB 3.87Å
382V92.2Very high81.4Confident0 Ų035.7 Ų35.70%018%0.18CC..EExtended strand (participates in β ladder)trans-134.3147.6177.7-67.40000109.9I310 F313 C356 D357 A358 L360 T380 I384I310-V382 HydrophobicContact CD1-CG1 3.91Å; I310-V382 HydrophobicContact CG1-CB 4.33Å; I310-V382 HydrophobicContact CG1-CG1 4.08Å; I310-V382 HydrophobicContact CG2-CB 4.29Å; I310-V382 HydrophobicContact CG2-CG1 4.2Å; F313-V382 HydrophobicContact CD1-CG1 3.91Å; F313-V382 HydrophobicContact CE1-CG1 4.16Å; C356-V382 VanDerWaalsContact CB-O 3.31Å; C356-V382 WeakPolarHBondContact CB-O 3.02Å; C356-V382 VanDerWaalsContact SG-C 3.57Å; D357-V382 PolarHBondContact N-O 3.07Å; A358-V382 HydrophobicContact CB-CG2 4.39Å; A358-V382 PolarHBondContact N-O 2.93Å; A358-V382 PolarHBondContact O-N 3.11Å; L360-V382 HydrophobicContact CB-CG1 4.35Å; L360-V382 HydrophobicContact CB-CG2 3.99Å; T380-V382 HydrophobicContact CG2-CG1 4.32Å; T380-V382 PolarHBondContact O-N 2.95Å; V382-I384 HydrophobicContact CG2-CG1 4.2Å
383Q89.6Confident78.6Confident51 Ų5139.8 Ų39.824%0.23821%0.209CC..EExtended strand (participates in β ladder)trans-89.1118.5161-169.8174.89.200108.4L311 H312 D357L311-Q383 WeakPolarHBondContact CB-O 3.28Å; L311-Q383 HydrophobicContact CD2-CG 4.34Å; L311-Q383 PolarHBondContact N-O 3.15Å; H312-Q383 HydrophobicContact CB-CB 4.41Å; H312-Q383 PolarHBondContact O-N 3.34Å; D357-Q383 WeakPolarHBondContact OD1-CA 3.3Å
384I86.6Confident75.8Confident3 Ų346.7 Ų46.72%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-79.2137.6177.1-68.6-176.8000109.8L292 L300 M309 D357 A358 V382 P386 W388 I389L292-I384 HydrophobicContact CD1-CD1 4.19Å; L300-I384 HydrophobicContact CD1-CD1 3.91Å; M309-I384 WeakPolarHBondContact O-CA 3.24Å; D357-I384 PolarHBondContact OD1-N 3.47Å; A358-I384 HydrophobicContact CB-CD1 3.39Å; A358-I384 HydrophobicContact CB-CG1 3.89Å; V382-I384 HydrophobicContact CG2-CG1 4.2Å; I384-P386 VanDerWaalsContact O-CD 3.24Å; I384-P386 WeakPolarHBondContact O-CD 3.49Å; I384-W388 HydrophobicContact CG2-CB 4.18Å; I384-I389 HydrophobicContact CB-CD1 4.4Å; I384-I389 HydrophobicContact CG2-CD1 3.95Å; I384-I389 HydrophobicContact CG2-CG1 4.05Å
385N83.1Confident72.6Confident30 Ų3055.3 Ų55.316%0.1627%0.274CS..  trans-63.6115.1171.7173.6-1.3000109.9G308 M309 L311 K387 W388G308-N385 WeakPolarHBondContact O-CB 3.49Å; G308-N385 PolarHBondContact O-ND2 3.04Å; M309-N385 WeakPolarHBondContact O-CB 3.2Å; M309-N385 PolarHBondContact O-N 3.44Å; L311-N385 HydrophobicContact CB-CB 4.44Å; N385-K387 PolarHBondContact O-N 2.99Å; N385-K387 WeakPolarHBondContact OD1-CB 3.33Å; N385-K387 WeakPolarHBondContact OD1-CG 3.05Å; N385-K387 PolarHBondContact OD1-N 2.68Å; N385-W388 PolarHBondContact O-N 3.23Å
386P75.2Confident69.7Low60 Ų6059.9 Ų59.939%0.3930%0.297SS..THydrogen-bonded Turntrans-58.6-14.3-171.9-28.236.6000115.5I384 W388 I389 N390I384-P386 VanDerWaalsContact O-CD 3.24Å; I384-P386 WeakPolarHBondContact O-CD 3.49Å; P386-W388 PolarHBondContact O-N 3.48Å; P386-I389 PolarHBondContact O-N 2.96Å; P386-I389 VanDerWaalsContact O-N 3.17Å; P386-N390 PolarHBondContact O-N 3.25Å
387K72.6Confident66.5Low149 Ų14965.2 Ų65.265%0.64833%0.33SS*.Hα-helixtrans-59.3-34171.2-66.2174.9-175.5170.70113.1N385 I389 N391N385-K387 PolarHBondContact O-N 2.99Å; N385-K387 WeakPolarHBondContact OD1-CB 3.33Å; N385-K387 WeakPolarHBondContact OD1-CG 3.05Å; N385-K387 PolarHBondContact OD1-N 2.68Å; K387-I389 PolarHBondContact O-N 2.84Å; K387-N391 PolarHBondContact O-ND2 3.17Å
388W68.8Low63.2Low51 Ų5170.2 Ų70.219%0.19336%0.357CS..Hα-helixtrans-73.1-15.8177.8-82.888.7000113.7L306 P307 G308 M309 I384 N385 P386L306-W388 HydrophobicContact CB-CH2 3.61Å; L306-W388 HydrophobicContact CB-CZ2 3.79Å; L306-W388 HydrophobicContact CB-CZ3 4.24Å; L306-W388 HydrophobicContact CD1-CE3 4.29Å; L306-W388 HydrophobicContact CD1-CH2 3.68Å; L306-W388 HydrophobicContact CD1-CZ3 3.51Å; L306-W388 HydrophobicContact CG-CH2 4.29Å; P307-W388 WeakPolarHBondContact O-CZ2 3.48Å; P307-W388 PolarHBondContact O-NE1 3.04Å; G308-W388 PolarHBondContact O-NE1 3.02Å; M309-W388 HydrophobicContact CB-CD2 4.38Å; M309-W388 HydrophobicContact CB-CG 4.46Å; M309-W388 HydrophobicContact CG-CD2 4.4Å; M309-W388 HydrophobicContact CG-CG 4.37Å; I384-W388 HydrophobicContact CG2-CB 4.18Å; N385-W388 PolarHBondContact O-N 3.23Å; P386-W388 PolarHBondContact O-N 3.48Å
389I62.2Low60Low22 Ų2276.9 Ų76.911%0.11340%0.398CS..Hα-helixtrans-100.5-50.6-177.7-55178000109.5P289 A291 I384 P386 K387 N391P289-I389 HydrophobicContact CB-CB 4.17Å; P289-I389 HydrophobicContact CB-CD1 3.57Å; P289-I389 HydrophobicContact CB-CG1 4.43Å; P289-I389 HydrophobicContact CB-CG2 3.43Å; P289-I389 VanDerWaalsContact CB-CG2 3.43Å; P289-I389 HydrophobicContact CG-CD1 3.88Å; A291-I389 HydrophobicContact CB-CB 4.34Å; A291-I389 HydrophobicContact CB-CG2 3.46Å; A291-I389 VanDerWaalsContact CB-CG2 3.46Å; I384-I389 HydrophobicContact CB-CD1 4.4Å; I384-I389 HydrophobicContact CG2-CD1 3.95Å; I384-I389 HydrophobicContact CG2-CG1 4.05Å; P386-I389 PolarHBondContact O-N 2.96Å; P386-I389 VanDerWaalsContact O-N 3.17Å; K387-I389 PolarHBondContact O-N 2.84Å; I389-N391 PolarHBondContact O-N 2.97Å
390N52.8Low56.8Low109 Ų10983.2 Ų83.258%0.58343%0.431SS*.Hα-helixtrans-93.38.2-165.7-68.9-3.1000115.4P386P386-N390 PolarHBondContact O-N 3.25Å
391N41.8Very low53.7Low111 Ų11187.9 Ų87.959%0.59446%0.464SS*.  trans-127.8120.3-178.6-70.3-82.1000114.1K387 I389K387-N391 PolarHBondContact O-ND2 3.17Å; I389-N391 PolarHBondContact O-N 2.97Å
392L35.6Very low50.6Low147 Ų14793.1 Ų93.177%0.7749%0.491SS*.SBendtrans-60.5139.6155.6-7868.1000109.4
393S31.5Very low47.5Very low88 Ų8896.5 Ų96.562%0.61553%0.527SS*.  trans67.679.4171.469.70000117.8K395S393-K395 PolarHBondContact O-N 2.99Å
394Y33.2Very low44.5Very low147 Ų147106 Ų10658%0.57656%0.561SS**  trans-78.3101156-161.3-114.1000110.2I396Y394-I396 HydrophobicContact CD1-CD1 4.45Å; Y394-I396 HydrophobicContact CD1-CG1 3.7Å; Y394-I396 HydrophobicContact CE1-CG1 3.78Å; Y394-I396 PolarHBondContact O-N 2.71Å
395K28.5Very low41.6Very low184 Ų184114.1 Ų114.180%0.860%0.602SS**  trans-83.7100.1170.1-81.5-172.6174.6-178.20109.9S393 T397S393-K395 PolarHBondContact O-N 2.99Å; K395-T397 PolarHBondContact O-N 2.74Å
396I33.9Very low39Very low100 Ų100116.7 Ų116.751%0.51362%0.622SS.*  trans-65.2115.1165.6-58.3176.9000107.9Y394Y394-I396 HydrophobicContact CD1-CD1 4.45Å; Y394-I396 HydrophobicContact CD1-CG1 3.7Å; Y394-I396 HydrophobicContact CE1-CG1 3.78Å; Y394-I396 PolarHBondContact O-N 2.71Å
397T28.8Very low36.8Very low117 Ų117119.9 Ų119.972%0.71864%0.641SS**  trans-84.1134.9171.448.10000110.1K395 T399K395-T397 PolarHBondContact O-N 2.74Å; T397-T399 PolarHBondContact O-N 2.91Å
398N27.6Very low34.8Very low105 Ų105118.3 Ų118.356%0.56164%0.644SS**  trans-46.1123.9-178.1-70.3-2.3000113.5Y248 N400Y248-N398 PolarHBondContact OH-OD1 3.13Å; N398-N400 PolarHBondContact O-N 3.23Å
399T28.7Very low32.8Very low141 Ų141121.9 Ų121.987%0.86567%0.666SS**  trans-83.484.2156.450.80000109T397T397-T399 PolarHBondContact O-N 2.91Å
400N28.8Very low31.2Very low132 Ų132125.2 Ų125.271%0.70670%0.697SS**  trans-68.1165157.8-76.920.6000109.1N398N398-N400 PolarHBondContact O-N 3.23Å
401S30.6Very low30Very low98 Ų98129.4 Ų129.469%0.68571%0.71SS**SBendtrans-58.8153.7-176.743.40000113.9
402L29.7Very low29.3Very low110 Ų110128.1 Ų128.158%0.57672%0.715SS**SBendtrans71.695173.1-63.1149.7000117N822L402-N822 HydrophobicContact CD1-CB 4.37Å; L402-N822 WeakPolarHBondContact CD2-OD1 3.33Å
403G26.9Very low29.1Very low72 Ų72126.1 Ų126.174%0.74271%0.713SS**  trans49.2123.7130.700000121.9
404R26.8Very low29.1Very low251 Ų251132 Ų13295%0.94773%0.727SS**  trans68105.3165.2-53.7174.5177.8165.6-1116.2
405I26.8Very low29Very low172 Ų172134.1 Ų134.188%0.88274%0.739SS**  trans-126.9134.6154.5-63.8-177000109.1
406S28.8Very low29.1Very low85 Ų85132.3 Ų132.359%0.59474%0.737SS**  trans-87.6145.2-178.447.80000112.5T408S406-T408 PolarHBondContact O-N 3.09Å; S406-T408 VanDerWaalsContact O-N 3.11Å
407V28.8Very low28.8Very low127 Ų127133.5 Ų133.577%0.7775%0.753SS**  trans-78.296.7179.4-179.10000110.2
408T29.3Very low28.7Very low116 Ų116136.6 Ų136.671%0.71276%0.759SS**  trans-111.285.2173.5-50.40000112.4S406S406-T408 PolarHBondContact O-N 3.09Å; S406-T408 VanDerWaalsContact O-N 3.11Å
409L28.6Very low28.8Very low125 Ų125136.8 Ų136.865%0.65477%0.769SS**  trans51119.1142.9-148.775.2000120.5K411L409-K411 PolarHBondContact O-N 3.03Å
410A27.3Very low28.9Very low93 Ų93138.6 Ų138.677%0.76977%0.771SS**  trans-61.6125.2166.600000112.7
411K27.8Very low29Very low196 Ų196137 Ų13785%0.85277%0.77SS**  trans-151.513.7165.8-123.5171.6-174177.40115.9L409L409-K411 PolarHBondContact O-N 3.03Å
412A27.5Very low28.9Very low85 Ų85137.8 Ų137.870%0.70277%0.771SS**SBendtrans-110.7-19.7-169.100000116.3
413S31.7Very low28.9Very low104 Ų104138.4 Ų138.473%0.72778%0.784SS**SBendtrans-85-12.3-171.249.80000115.5K415S413-K415 VanDerWaalsContact C-N 3.33Å; S413-K415 PolarHBondContact O-N 2.84Å
414K31.9Very low29Very low211 Ų211140.3 Ų140.392%0.91778%0.778SS**THydrogen-bonded Turntrans-92.227.3-174.1-128.5-179.1-173.6-174.10114.7
415K30.3Very low29.2Very low192 Ų192139.8 Ų139.884%0.83578%0.778SS**THydrogen-bonded Turntrans-145.218.2179.5-120.1-174.6-177.2-170.30115.9S413S413-K415 VanDerWaalsContact C-N 3.33Å; S413-K415 PolarHBondContact O-N 2.84Å
416I30.9Very low29.3Very low147 Ų147139.7 Ų139.775%0.75477%0.771SS**SBendtrans-127.435.1176.5-39.9-177.8000110.6
417C27.7Very low29.1Very low124 Ų124140 Ų14084%0.83878%0.779SS**SBendtrans-13137.9170.1-75.40000110.4
418E27.2Very low29.2Very low183 Ų183140.4 Ų140.486%0.85578%0.782SS**SBendtrans-158.140.7-178.3-127.2164.1-130.300112.1
419S29Very low29.3Very low108 Ų108141.6 Ų141.676%0.75578%0.782SS**  trans174.788.4162.630.50000112.8
420I31.4Very low29.2Very low180 Ų180142.4 Ų142.492%0.92379%0.787SS**  trans-160.3129132.5-100.9152.9000105.9
421S30.2Very low29.3Very low97 Ų97149.8 Ų149.868%0.67880%0.795SS**  trans-98.3145.6-164.549.50000112.8
422T28.7Very low29.1Very low115 Ų115145.9 Ų145.971%0.70679%0.791SS**  trans51.5107.7146.657.40000118.7
423S29.6Very low29.4Very low123 Ų123148.1 Ų148.186%0.8680%0.797SS**  -138.3138.1109.366.60000108.9
424N29.7Very low29.4Very low112 Ų112147.8 Ų147.860%0.59979%0.794SS**  trans-98.3148.1-174.2-59.5-32.4000110.2
425Y29.1Very low29.4Very low241 Ų241146.7 Ų146.795%0.94579%0.789SS**  -149.2125.7117.2-112.1-76.1000109.3
426F29.3Very low29.5Very low169 Ų169147.1 Ų147.174%0.74179%0.791SS**  trans-101.2160.1-167.4-108.9-101.5000112.1
427A26.1Very low29.7Very low92 Ų92145.1 Ų145.176%0.7679%0.788SS**  trans-77147.7159.400000110.4
428T30.3Very low29.7Very low135 Ų135144.5 Ų144.583%0.82878%0.784SS**  trans-139.2139.7170.8-44.70000109.8
429I31.3Very low29.8Very low141 Ų141141.3 Ų141.372%0.72378%0.777SS**  trans-111.5147.8-179-73.4173.6000109.6
430D26.6Very low30Very low143 Ų143147.4 Ų147.477%0.76578%0.783SS**  trans41.6119.5165.1-58.5-16.5000121
431R29.7Very low30.1Very low247 Ų247143.7 Ų143.793%0.93277%0.773SS**  -174.1162.493.2-97.1177.7178.7171.6-0.3113.3
432C23.9Very low30Very low114 Ų114145 Ų14577%0.7778%0.781SS**  trans-82.9155.3-172.4-42.10000114.2
433T32Very low30.1Very low133 Ų133143.8 Ų143.882%0.81678%0.777SS**  175.2119.3108.931.90000116.8
434S32.4Very low30.4Very low97 Ų97143.8 Ų143.868%0.67877%0.774SS**  trans78.7142.7141.491.10000123.3
435K32Very low30.4Very low187 Ų187144.2 Ų144.281%0.81378%0.776SS**  trans67.198.8156.4-60.5165.5-174.41760117.9
436K32.6Very low30.5Very low201 Ų201142.6 Ų142.687%0.87478%0.775SS**  64.1149.270.5-82.9-165.3173.4-1750115.6
437P34.3Very low30.4Very low106 Ų106139.8 Ų139.869%0.68877%0.772SS**  cis-142-167.1-10.432.3-7.9000116.1
438C28.2Very low30.7Very low110 Ų110141.1 Ų141.174%0.74378%0.775SS**  trans85.9142.7155.6-60.70000119.7
439T30.3Very low30.7Very low117 Ų117139.3 Ų139.372%0.71877%0.774SS**  cis-169.6163.4-21.226.20000110.8
440R32.4Very low30.4Very low236 Ų236143.8 Ų143.889%0.89178%0.782SS**  trans77.8140.5175.5-54.6178175-178.5-3.1114.1
441S32.8Very low30.7Very low102 Ų102145.6 Ų145.671%0.71379%0.785SS**  cis-177.4150.6-13.544.50000108.8
442C28.9Very low30.5Very low123 Ų123138 Ų13883%0.83177%0.77SS**  cis-165.3166.4-11.3-100.60000109
443S29.7Very low30.8Very low91 Ų91140.6 Ų140.664%0.63678%0.776SS**  trans-101.7178.7174.8-49.60000111.8D445S443-D445 WeakPolarHBondContact CB-OD2 3.34Å
444P37.1Very low30.6Very low122 Ų122142.5 Ų142.579%0.79278%0.775SS**  -132.7151.979.829.9-12.8000113.4
445D30.3Very low30.6Very low121 Ų121145 Ų14565%0.64778%0.779SS**  cis83.9116.938.4-64.6-47.8000115.2S443S443-D445 WeakPolarHBondContact CB-OD2 3.34Å
446F31.2Very low30.5Very low207 Ų207140.9 Ų140.991%0.90877%0.774SS**  -156.6159.3125.7-119.1-80.1000111
447T27.4Very low30.4Very low110 Ų110136.4 Ų136.468%0.67577%0.768SS**  trans-147.2163.3-158.2580000113.8
448S31.8Very low30.4Very low120 Ų120135.4 Ų135.484%0.83976%0.763SS**  trans128.3150.1165.2-65.70000113.3
449A30.8Very low30.6Very low97 Ų97138.6 Ų138.680%0.80277%0.768SS**  cis-159.4-179.3-16.600000109.8
450R24.6Very low30.7Very low235 Ų235138.7 Ų138.789%0.88777%0.768SS**  trans-94147.2-179.6-58.1167.9175.1158.6-4.8112.5
451H32.1Very low30.6Very low181 Ų181132.3 Ų132.384%0.83876%0.755SS**  trans176.5121.1143.5-92.3-66.4000105.8
452S25.4Very low30.4Very low88 Ų88133.5 Ų133.562%0.61576%0.76SS**  cis82.1138.249.580.50000114.6
453L30.8Very low30.5Very low169 Ų169134.1 Ų134.189%0.88576%0.76SS**  trans85.6150.4-169.8-54.5163.8000113.5
454H27.4Very low30.6Very low173 Ų173135.1 Ų135.180%0.80177%0.765SS**  cis170.4171.2-33.9-137.4-96.4000104.9
455I31.8Very low30Very low148 Ų148134 Ų13476%0.75976%0.76SS**  trans78.9101.4179.4-53.9161.6000111.2
456S29.6Very low30.2Very low101 Ų101134.4 Ų134.471%0.70677%0.769SS**  67129.763.275.40000114.4
457S32.2Very low30Very low108 Ų108131 Ų13176%0.75577%0.765SS**  cis-158.8-158-4.545.10000107.4
458S33.7Very low30.1Very low84 Ų84131 Ų13159%0.58777%0.77SS**  cis-163.5168.912.9-260000109.8
459E31.5Very low29.9Very low178 Ų178129.7 Ų129.783%0.83276%0.761SS**  trans64.4142.9155.5-65.1168.1-165.800117.9
460T33.6Very low29.7Very low119 Ų119134.3 Ų134.373%0.7376%0.759SS**  cis-166152.9-6.417.60000107.2
461T29.2Very low29.9Very low101 Ų101130.8 Ų130.862%0.6276%0.758SS**  cis-154.4135.7-5.4-12.70000109.3
462P30Very low29.6Very low127 Ų127130.5 Ų130.583%0.82575%0.754SS**  trans-91.7148.616234.9-30.8000111.4
463V30.7Very low29.7Very low136 Ų136135.2 Ų135.282%0.82477%0.766SS**  trans-126.6139.3-178.9178.30000109.9
464P31Very low29.5Very low113 Ų113131.4 Ų131.473%0.73475%0.753SS**  trans-120170.2-13741.9-32.7000116.5
465S25.4Very low29.4Very low99 Ų99133.7 Ų133.769%0.69276%0.757SS**  trans-75.4134.7163.143.90000111.9T467S465-T467 PolarHBondContact O-N 3.35Å
466P34.2Very low29.2Very low129 Ų129136.4 Ų136.484%0.83876%0.763SS**  trans-87.5109.517731.7-32.2000112.2
467T26.1Very low29Very low134 Ų134139.8 Ų139.882%0.82277%0.768SS**  trans-129.988.4168.641.30000112.4S465S465-T467 PolarHBondContact O-N 3.35Å
468S29.9Very low28.8Very low110 Ų110144.3 Ų144.377%0.76978%0.777SS**  trans-148.8128.8156.7500000107.9
469S28.1Very low28.5Very low93 Ų93146.1 Ų146.165%0.6578%0.784SS**  cis92.3116.132.183.10000113.7
470Y26.2Very low28.4Very low194 Ų194144.3 Ų144.376%0.76179%0.786SS**  trans67.2138.5179-54.6-80000114.5
471N28.4Very low28.2Very low162 Ų162144 Ų14487%0.86679%0.786SS**  cis-116.6165.234.2-77.6-39.4000116.8
472K26.3Very low28.1Very low174 Ų174145.6 Ų145.676%0.75779%0.791SS**  trans-92138.3166.3-64.2170.1176.5172.60109.1
473E27.9Very low28.2Very low188 Ų188149.6 Ų149.688%0.87980%0.795SS**  trans170.3143143.6-97.8160.3-150.900107.2
474S27.1Very low27.9Very low88 Ų88148.8 Ų148.862%0.61579%0.794SS**  cis175.6115.9-26.544.60000105.3
475Y23.7Very low27.8Very low221 Ų221151.3 Ų151.387%0.86780%0.8SS**  trans37.3120.6161.6-53.4-81.1000120
476K29.2Very low28.1Very low205 Ų205151.8 Ų151.889%0.89180%0.801SS**  -163.8143.891.9-100.8169.5-175.6-177.30112.3
477E25.1Very low27.9Very low173 Ų173154 Ų15481%0.80880%0.8SS**  trans-84.7148.5163.9-62.9165.2108.900109
478E28.7Very low27.9Very low203 Ų203156.6 Ų156.695%0.94980%0.8SS**  trans-146139.7151-136.7164.6-127.400109.2
479T26.2Very low28Very low121 Ų121161.2 Ų161.274%0.74281%0.806SS**  trans-124.8129.3-160.551.70000112.9
480T29Very low28.1Very low140 Ų140162.5 Ų162.586%0.85980%0.804SS**  trans-138.7128.2164.253.30000110.8
481P29.8Very low28.3Very low114 Ų114162.4 Ų162.474%0.7481%0.808SS**  trans-98.6-172.9-17140.1-38.4000114.7
482D26.5Very low28.2Very low134 Ų134164 Ų16472%0.71781%0.81SS**  trans70.8104158.9-63.6-23.4000120.5
483K31.7Very low28.3Very low211 Ų211160.3 Ų160.392%0.91780%0.799SS**  -159.7125.3106.7-103.8152.2-171.7167.50113
484C25.2Very low28.5Very low119 Ų119157.1 Ų157.180%0.80479%0.786SS**  trans-78.4143179.6-59.20000112.9
485L29.3Very low28.4Very low165 Ų165160.5 Ų160.586%0.86480%0.798SS**  trans-127.9143154-77174.3000109.6
486P31.4Very low28.5Very low110 Ų110155.5 Ų155.571%0.71479%0.786SS**  trans-85.5132.2-15931.4-35.9000114.7K488P486-K488 VanDerWaalsContact C-N 3.33Å; P486-K488 PolarHBondContact O-N 3.46Å
487H29.2Very low28.4Very low174 Ų174150.7 Ų150.781%0.80678%0.778SS**  trans-72.477.2174.3-122.6-103.4000112.4
488K27.8Very low28.9Very low190 Ų190149 Ų14983%0.82678%0.78SS**  trans-123.265.4175.1-91.2-167.8172.2-176.90112.2P486P486-K488 VanDerWaalsContact C-N 3.33Å; P486-K488 PolarHBondContact O-N 3.46Å
489K31.4Very low29.6Very low206 Ų206146 Ų14690%0.89676%0.763SS**  trans-160.129.6173.6-121167.6-172.1-178.50118.2
490I30.8Very low30.8Very low120 Ų120143.3 Ų143.362%0.61575%0.748SS**SBendtrans-117.3-11.5-179.2-62.6-178.9000114.1
491F28.9Very low32.7Very low192 Ų192140 Ų14084%0.84273%0.725SS**SBendtrans-132.662.6-179.1-73.5-78.1000114.1
492H26.1Very low35.3Very low197 Ų197135.5 Ų135.591%0.91270%0.696SS**  trans-15789.3161.7-93.1-50.4000111
493D29.2Very low38.1Very low95 Ų95132.4 Ų132.451%0.50868%0.677SS.*  trans-16054.6160.2-135.315.6000111.8N496 K499D493-N496 WeakPolarHBondContact OD1-CB 3.23Å; D493-N496 PolarHBondContact OD1-ND2 3.19Å; D493-K499 IonicContact OD2-NZ 2.94Å; D493-K499 PolarHBondContact OD2-NZ 2.87Å
494I31.1Very low40.7Very low121 Ų121122.5 Ų122.562%0.62163%0.634SS**SBendtrans-103.6-11.2-178.8-68.5177.7000113.1
495N25Very low43.7Very low160 Ų160117 Ų11786%0.85660%0.597SS**SBendtrans-119.619.2-177.3-88.5-1.7000114
496N26.7Very low46.5Very low115 Ų115110.6 Ų110.662%0.61556%0.562SS**SBendtrans-97150.3178.9-102.7-40.5000112.6D493D493-N496 WeakPolarHBondContact OD1-CB 3.23Å; D493-N496 PolarHBondContact OD1-ND2 3.19Å
497S28Very low48.9Very low104 Ų104107.2 Ų107.273%0.72754%0.538SS*.  trans-52.6153-175.7-168.70000113.1K499S497-K499 PolarHBondContact O-N 3.25Å
498V34.1Very low50.9Low139 Ų139101 Ų10184%0.84251%0.513SS*.  trans-62.992.1-179.2-177.30000109.9
499K43.1Very low52.3Low140 Ų14097.1 Ų97.161%0.60951%0.51SS*.  trans-64.6123.8174.9-67.8169.9-175.2164.40108D493 S497D493-K499 IonicContact OD2-NZ 2.94Å; D493-K499 PolarHBondContact OD2-NZ 2.87Å; S497-K499 PolarHBondContact O-N 3.25Å
500P53.3Low53.2Low64 Ų6493 Ų9342%0.41650%0.503SS..  trans-62.7144.7-178.821.6-30.8000111.9C502 I529 V550P500-C502 PolarHBondContact O-N 3.04Å; P500-C502 PolarHBondContact O-SG 3.39Å; P500-C502 VanDerWaalsContact O-SG 3.41Å; P500-I529 HydrophobicContact CB-CD1 4.39Å; P500-I529 HydrophobicContact CG-CD1 4.32Å; P500-I529 HydrophobicContact CG-CG2 3.83Å; P500-V550 HydrophobicContact CB-CG2 4.16Å
501N67.7Low53.8Low71 Ų7191.5 Ų91.538%0.3850%0.502SS..  trans-73.560.8-170.4-80.8-22.2000113.9H503 I504 E548N501-H503 PolarHBondContact O-N 3.12Å; N501-I504 WeakPolarHBondContact O-CG2 3.48Å; N501-E548 HydrophobicContact CB-CB 4.31Å
502C84.8Confident54.2Low19 Ų1990.3 Ų90.313%0.12851%0.505CS..G310 helixtrans-61.9-23.5173.746.50000114.2P500 I504 C505 H506 I529 A632P500-C502 PolarHBondContact O-N 3.04Å; P500-C502 PolarHBondContact O-SG 3.39Å; P500-C502 VanDerWaalsContact O-SG 3.41Å; C502-I504 PolarHBondContact O-N 2.82Å; C502-I504 VanDerWaalsContact O-N 3.14Å; C502-C505 PolarHBondContact O-N 3.29Å; C502-H506 PolarHBondContact O-CD2 2.97Å; C502-H506 PolarHBondContact O-NE2 2.92Å; C502-I529 HydrophobicContact CB-CB 3.98Å; C502-I529 HydrophobicContact CB-CD1 4.15Å; C502-I529 HydrophobicContact CB-CG2 3.92Å; C502-A632 HydrophobicContact CB-CB 4.24Å
503H85.3Confident54.9Low69 Ų6986.8 Ų86.832%0.31950%0.497SS..G310 helixtrans-54.9-35.7-173.968.7-94.6000114.2H312 N501 C505 H506H312-H503 PolarHBondContact CE1-O 3.26Å; H312-H503 PolarHBondContact ND1-O 2.9Å; N501-H503 PolarHBondContact O-N 3.12Å; H503-C505 PolarHBondContact O-N 2.8Å; H503-C505 VanDerWaalsContact O-N 3.15Å; H503-H506 WeakPolarHBondContact O-CB 3.47Å; H503-H506 PolarHBondContact O-N 2.85Å
504I87Confident55.5Low2 Ų287.2 Ų87.21%0.0150%0.5CS..G310 helixtrans-61.1-24.4-179.7-162.6172.2000113.2I310 L311 F313 N501 C502 P546 L549I310-I504 HydrophobicContact CB-CD1 4.11Å; I310-I504 HydrophobicContact CB-CG1 4.25Å; I310-I504 HydrophobicContact CG2-CD1 4.21Å; I310-I504 HydrophobicContact CG2-CG1 3.83Å; L311-I504 WeakPolarHBondContact O-CA 3.48Å; F313-I504 HydrophobicContact CD2-CG1 3.97Å; F313-I504 HydrophobicContact CE2-CD1 3.98Å; F313-I504 HydrophobicContact CE2-CG1 3.92Å; F313-I504 PolarHBondContact N-O 3.39Å; F313-I504 VanDerWaalsContact N-O 3.07Å; N501-I504 WeakPolarHBondContact O-CG2 3.48Å; C502-I504 PolarHBondContact O-N 2.82Å; C502-I504 VanDerWaalsContact O-N 3.14Å; I504-P546 HydrophobicContact CD1-CB 3.7Å; I504-P546 HydrophobicContact CD1-CG 3.68Å; I504-L549 HydrophobicContact CG2-CD1 3.79Å
505C87Confident55.8Low4 Ų487.4 Ų87.43%0.02751%0.508CS..G310 helixtrans-97.5-7.1177.2-61.40000113.7C502 H503 V535 P536 A632 L633C502-C505 PolarHBondContact O-N 3.29Å; H503-C505 PolarHBondContact O-N 2.8Å; H503-C505 VanDerWaalsContact O-N 3.15Å; C505-V535 HydrophobicContact CB-CG1 4.41Å; C505-V535 WeakPolarHBondContact O-CG1 3.29Å; C505-P536 WeakPolarHBondContact O-CD 3.14Å; C505-A632 HydrophobicContact CB-CB 3.94Å; C505-L633 HydrophobicContact CB-CD2 3.81Å
506H88Confident56.5Low30 Ų3086.4 Ų86.414%0.13950%0.503CS..SBendtrans-72.2137.5178.9-63.3177.9000110.2H312 C502 H503 C530 A533 N534H312-H506 PolarHBondContact ND1-O 2.9Å; C502-H506 PolarHBondContact O-CD2 2.97Å; C502-H506 PolarHBondContact O-NE2 2.92Å; H503-H506 WeakPolarHBondContact O-CB 3.47Å; H503-H506 PolarHBondContact O-N 2.85Å; H506-C530 VanDerWaalsContact CE1-SG 3.58Å; H506-C530 PolarHBondContact NE2-SG 2.9Å; H506-C530 VanDerWaalsContact NE2-SG 3.38Å; H506-A533 HydrophobicContact CB-CB 4.01Å; H506-A533 VanDerWaalsContact CG-CB 3.42Å; H506-A533 VanDerWaalsContact ND1-CB 3.32Å; H506-A533 WeakPolarHBondContact ND1-CB 3.29Å; H506-N534 WeakPolarHBondContact CA-O 3.27Å
507L83.3Confident57.1Low40 Ų4086.9 Ų86.921%0.20950%0.496CS..PPolyproline II helixtrans-71.1143.3167.6-61.8174.2000109.4S509 V522 N534 P536L507-S509 PolarHBondContact O-N 3.41Å; L507-V522 HydrophobicContact CD1-CG1 4.26Å; L507-N534 HydrophobicContact CD1-CB 4.36Å; L507-N534 PolarHBondContact N-O 3.27Å; L507-P536 HydrophobicContact CD2-CG 4.46Å
508P70.7Confident57.5Low44 Ų4488.3 Ų88.329%0.28649%0.49SS..PPolyproline II helixtrans-56.4121.8177.8-26.635.1000112.1T510P508-T510 PolarHBondContact O-N 2.85Å
509S57.9Low57.6Low108 Ų10887.4 Ų87.476%0.75549%0.485SS*.PPolyproline II helixtrans-62.7120-175.4-59.90000112.1L507 S511L507-S509 PolarHBondContact O-N 3.41Å; S509-S511 PolarHBondContact O-N 3.3Å
510T49.6Very low57.5Low120 Ų12083.2 Ų83.274%0.73647%0.473SS*.PPolyproline II helixtrans-61.8122173.349.40000110.4P508P508-T510 PolarHBondContact O-N 2.85Å
511S42.9Very low57.1Low87 Ų8785.1 Ų85.161%0.60849%0.486SS*.  trans-130.9135.7169.746.50000109S509 T513S509-S511 PolarHBondContact O-N 3.3Å; S511-T513 VanDerWaalsContact C-N 3.29Å; S511-T513 PolarHBondContact O-N 2.7Å; S511-T513 PolarHBondContact O-OG1 3.3Å
512D37.2Very low56.5Low168 Ų16885.3 Ų85.390%0.89849%0.489SS*.SBendtrans-75.263.5-149.2-50.2-64.3000115.1
513T41.2Very low55.4Low122 Ų12289.1 Ų89.175%0.74851%0.512SS*.SBendtrans-130.3-0-17154.30000115.3S511S511-T513 VanDerWaalsContact C-N 3.29Å; S511-T513 PolarHBondContact O-N 2.7Å; S511-T513 PolarHBondContact O-OG1 3.3Å
514N41Very low54.9Low105 Ų10588.4 Ų88.456%0.56151%0.514SS*.  trans-149.497.3175.5-154.5-21.3000112.2N516N514-N516 PolarHBondContact O-N 2.69Å
515P39.1Very low54.8Low124 Ų12489.7 Ų89.781%0.80552%0.524SS*.THydrogen-bonded Turntrans-70.6-10.4-175.629.3-35.1000113.8
516N39.2Very low54.9Low139 Ų13997 Ų9774%0.74355%0.55SS**THydrogen-bonded Turntrans-9614.1-176.6-65.718.9000113.5N514 F518N514-N516 PolarHBondContact O-N 2.69Å; N516-F518 PolarHBondContact O-N 2.74Å
517R39.2Very low54.9Low126 Ų12695.5 Ų95.548%0.47554%0.544SS..SBendtrans-79.4114.1161.9-97-166.3179.1-160.31.4108.4G355 T519G355-R517 VanDerWaalsContact CA-NH2 3.27Å; R517-T519 PolarHBondContact O-N 2.57Å
518F37Very low55.1Low133 Ų13395.9 Ų95.958%0.58355%0.552SS**  trans-58.2101.5166.2-91.8-93.3000109.7N516 S520 D751N516-F518 PolarHBondContact O-N 2.74Å; F518-S520 PolarHBondContact O-N 2.89Å; F518-D751 HydrophobicContact CE1-CB 4.48Å; F518-D751 HydrophobicContact CE2-CB 4.31Å; F518-D751 VanDerWaalsContact CE2-OD2 3.25Å; F518-D751 WeakPolarHBondContact CE2-OD2 3.48Å; F518-D751 HydrophobicContact CZ-CB 3.74Å; F518-D751 VanDerWaalsContact CZ-OD2 3.29Å; F518-D751 WeakPolarHBondContact CZ-OD2 2.97Å
519T35.4Very low55.8Low120 Ų12096.7 Ų96.774%0.73655%0.554SS**  trans-75.471.9168.953.20000108.9R517R517-T519 PolarHBondContact O-N 2.57Å
520S41.2Very low57.3Low53 Ų5393.9 Ų93.937%0.37153%0.533SS..  trans-47.4137.9162.6169.30000109F518 V522 F755F518-S520 PolarHBondContact O-N 2.89Å; S520-V522 PolarHBondContact O-N 2.88Å; S520-F755 WeakPolarHBondContact OG-CE1 3.26Å
521P45.5Very low59Low104 Ų10495.7 Ų95.768%0.67553%0.531SS*.  trans-73.764.1176.133.1-35.8000110.5T523P521-T523 PolarHBondContact O-N 3.22Å
522V53.6Low60.9Low74 Ų7494.8 Ų94.845%0.44853%0.529SS..  trans-56111.2164.5177.50000106.5L507 S520 S524L507-V522 HydrophobicContact CD1-CG1 4.26Å; S520-V522 PolarHBondContact O-N 2.88Å; V522-S524 WeakPolarHBondContact O-CB 3.37Å; V522-S524 PolarHBondContact O-N 3.03Å; V522-S524 PolarHBondContact O-OG 2.99Å; V522-S524 VanDerWaalsContact O-OG 3.07Å
523T62.1Low63.2Low99 Ų9987.5 Ų87.561%0.60749%0.492SS*.  trans-61.5111.9179.271.90000107.1P521 D537P521-T523 PolarHBondContact O-N 3.22Å; T523-D537 VanDerWaalsContact C-OD2 3.22Å; T523-D537 WeakPolarHBondContact CB-OD2 3.22Å; T523-D537 PolarHBondContact O-N 2.69Å; T523-D537 PolarHBondContact OG1-OD2 2.82Å
524S75.9Confident65.4Low54 Ų5484.6 Ų84.638%0.37847%0.472SS..EExtended strand (participates in β ladder)trans-134.2122.5-165.7550000110.7V522 V535V522-S524 WeakPolarHBondContact O-CB 3.37Å; V522-S524 PolarHBondContact O-N 3.03Å; V522-S524 PolarHBondContact O-OG 2.99Å; V522-S524 VanDerWaalsContact O-OG 3.07Å; S524-V535 CarbonylContact C-O 3.54Å; S524-V535 WeakPolarHBondContact CA-O 3.25Å; S524-V535 WeakPolarHBondContact CB-O 3.4Å
525S84.2Confident67.6Low29 Ų2979.6 Ų79.620%0.20345%0.445CS..EExtended strand (participates in β ladder)trans-103.7166.5-178.144.60000110.1N534 V535 D537 P634S525-N534 CarbonylContact O-C 3.59Å; S525-N534 VanDerWaalsContact O-CA 3.31Å; S525-N534 WeakPolarHBondContact O-CA 3.48Å; S525-V535 PolarHBondContact N-O 2.86Å; S525-V535 PolarHBondContact O-N 3.31Å; S525-D537 WeakPolarHBondContact CB-OD1 3.43Å; S525-D537 PolarHBondContact N-OD1 3.02Å; S525-D537 PolarHBondContact OG-OD1 2.75Å; S525-P634 VanDerWaalsContact OG-CD 3.28Å; S525-P634 WeakPolarHBondContact OG-CD 3.44Å; S525-P634 VanDerWaalsContact OG-CG 3.23Å; S525-P634 WeakPolarHBondContact OG-CG 3.09Å
526R88.3Confident70Confident157 Ų15774.5 Ų74.559%0.59241%0.412SS*.EExtended strand (participates in β ladder)trans-75.7131.3171.8-63.8-65.4175164.3-5.1109A528 A532 N534R526-A528 PolarHBondContact O-N 3.01Å; R526-A532 PolarHBondContact NH1-O 2.89Å; R526-N534 PolarHBondContact NE-OD1 3.46Å; R526-N534 PolarHBondContact NH1-OD1 3.04Å
527C89.5Confident72.2Confident0 Ų070.1 Ų70.10%039%0.389CS..PPolyproline II helixtrans-46.4125.5178.5179.90000111.6I529 C530 K531 A533 V535 A632C527-I529 PolarHBondContact O-N 2.75Å; C527-I529 VanDerWaalsContact O-N 3.13Å; C527-C530 VanDerWaalsContact CB-SG 3.53Å; C527-C530 PolarHBondContact O-N 3.34Å; C527-K531 WeakPolarHBondContact O-CA 3.47Å; C527-K531 PolarHBondContact O-N 3.5Å; C527-A533 PolarHBondContact N-O 3.04Å; C527-V535 HydrophobicContact CB-CG1 3.57Å; C527-A632 WeakPolarHBondContact CA-O 3.24Å; C527-A632 PolarHBondContact SG-O 2.96Å
528A86.2Confident74.7Confident47 Ų4766.2 Ų66.239%0.38838%0.377SS..THydrogen-bonded Turntrans-60.3-29.2-177.400000112.9R526 A632R526-A528 PolarHBondContact O-N 3.01Å; A528-A632 PolarHBondContact N-O 2.74Å
529I86.5Confident77.3Confident62 Ų6260.1 Ų60.132%0.31835%0.351SS..THydrogen-bonded Turntrans-79-60.6177.5-68.9171.7000112.1P500 C502 C527 G631 A632P500-I529 HydrophobicContact CB-CD1 4.39Å; P500-I529 HydrophobicContact CG-CD1 4.32Å; P500-I529 HydrophobicContact CG-CG2 3.83Å; C502-I529 HydrophobicContact CB-CB 3.98Å; C502-I529 HydrophobicContact CB-CD1 4.15Å; C502-I529 HydrophobicContact CB-CG2 3.92Å; C527-I529 PolarHBondContact O-N 2.75Å; C527-I529 VanDerWaalsContact O-N 3.13Å; I529-G631 WeakPolarHBondContact CG1-O 3.43Å; I529-A632 HydrophobicContact CD1-CB 3.98Å
530C87.9Confident80.2Confident48 Ų4855.2 Ų55.232%0.32432%0.319SS..THydrogen-bonded Turntrans-93.4-17.9-169.980.30000114.2H506 C527 A532 A533H506-C530 VanDerWaalsContact CE1-SG 3.58Å; H506-C530 PolarHBondContact NE2-SG 2.9Å; H506-C530 VanDerWaalsContact NE2-SG 3.38Å; C527-C530 VanDerWaalsContact CB-SG 3.53Å; C527-C530 PolarHBondContact O-N 3.34Å; C530-A532 PolarHBondContact O-N 3.27Å; C530-A533 PolarHBondContact SG-N 2.78Å
531K85.7Confident82.7Confident159 Ų15952.7 Ų52.769%0.69130%0.301SS*.SBendtrans54.80.5-176.7-58.1-176179.8-177.60116.2C527C527-K531 WeakPolarHBondContact O-CA 3.47Å; C527-K531 PolarHBondContact O-N 3.5Å
532A84Confident85.1Confident67 Ų6748 Ų4855%0.55427%0.271SS*.SBendtrans-99-51.2-176.900000112.9R526 C530R526-A532 PolarHBondContact NH1-O 2.89Å; C530-A532 PolarHBondContact O-N 3.27Å
533A84.4Confident87Confident16 Ų1644.5 Ų44.513%0.13225%0.25CC..SBendtrans-81.1155.1179.800000112.3H506 C527 C530H506-A533 HydrophobicContact CB-CB 4.01Å; H506-A533 VanDerWaalsContact CG-CB 3.42Å; H506-A533 VanDerWaalsContact ND1-CB 3.32Å; H506-A533 WeakPolarHBondContact ND1-CB 3.29Å; C527-A533 PolarHBondContact N-O 3.04Å; C530-A533 PolarHBondContact SG-N 2.78Å
534N86.8Confident88.3Confident60 Ų6040.2 Ų40.232%0.32122%0.223SC..EExtended strand (participates in β ladder)trans-82145.5170.2-67.612.1000110H506 L507 S525 R526H506-N534 WeakPolarHBondContact CA-O 3.27Å; L507-N534 HydrophobicContact CD1-CB 4.36Å; L507-N534 PolarHBondContact N-O 3.27Å; S525-N534 CarbonylContact O-C 3.59Å; S525-N534 VanDerWaalsContact O-CA 3.31Å; S525-N534 WeakPolarHBondContact O-CA 3.48Å; R526-N534 PolarHBondContact NE-OD1 3.46Å; R526-N534 PolarHBondContact NH1-OD1 3.04Å
535V88.2Confident88.8Confident0 Ų038.1 Ų38.10%021%0.207CC..EExtended strand (participates in β ladder)trans-132154.1175.2-59.40000108.6C505 S524 S525 C527 L633C505-V535 HydrophobicContact CB-CG1 4.41Å; C505-V535 WeakPolarHBondContact O-CG1 3.29Å; S524-V535 CarbonylContact C-O 3.54Å; S524-V535 WeakPolarHBondContact CA-O 3.25Å; S524-V535 WeakPolarHBondContact CB-O 3.4Å; S525-V535 PolarHBondContact N-O 2.86Å; S525-V535 PolarHBondContact O-N 3.31Å; C527-V535 HydrophobicContact CB-CG1 3.57Å; V535-L633 HydrophobicContact CB-CD2 3.73Å; V535-L633 HydrophobicContact CG1-CD2 4.37Å; V535-L633 HydrophobicContact CG2-CD2 3.96Å
536P88.7Confident88.9Confident17 Ų1737 Ų3711%0.1120%0.199CC..EExtended strand (participates in β ladder)trans-68.9149.3169.832.1-35.1000109.9C505 L507 L538 L633C505-P536 WeakPolarHBondContact O-CD 3.14Å; L507-P536 HydrophobicContact CD2-CG 4.46Å; P536-L538 VanDerWaalsContact C-N 3.26Å; P536-L538 PolarHBondContact O-N 2.93Å; P536-L633 HydrophobicContact CG-CD2 4.46Å; P536-L633 WeakPolarHBondContact O-CD2 3.24Å
537D87Confident88.4Confident47 Ų4733.5 Ų33.525%0.25120%0.197SC..SBendtrans-69.6-26.3180-63.3-34.5000113.2T523 S525 P634T523-D537 VanDerWaalsContact C-OD2 3.22Å; T523-D537 WeakPolarHBondContact CB-OD2 3.22Å; T523-D537 PolarHBondContact O-N 2.69Å; T523-D537 PolarHBondContact OG1-OD2 2.82Å; S525-D537 WeakPolarHBondContact CB-OD1 3.43Å; S525-D537 PolarHBondContact N-OD1 3.02Å; S525-D537 PolarHBondContact OG-OD1 2.75Å; D537-P634 HydrophobicContact CB-CG 4.1Å
538L90.4Very high87.9Confident45 Ų4535.7 Ų35.724%0.23621%0.207CC..SBendtrans-139.4146.6175.9-61.1174.7000110.1P536 M594 L597 N603P536-L538 VanDerWaalsContact C-N 3.26Å; P536-L538 PolarHBondContact O-N 2.93Å; L538-M594 HydrophobicContact CD1-CG 3.6Å; L538-M594 HydrophobicContact CD1-SD 4.07Å; L538-L597 HydrophobicContact CD2-CD2 4.35Å; L538-N603 WeakPolarHBondContact CA-O 3.49Å; L538-N603 HydrophobicContact CD2-CB 3.99Å
539L92.4Very high87.9Confident5 Ų534.2 Ų34.23%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-123.4116.5176.4176.160.5000111.2F313 N603 G604 L605 F606 I630 L633F313-L539 HydrophobicContact CB-CD1 3.85Å; F313-L539 HydrophobicContact CB-CD2 4.3Å; F313-L539 HydrophobicContact CD1-CD1 4.28Å; F313-L539 HydrophobicContact CD1-CD2 4.49Å; F313-L539 HydrophobicContact CD2-CD2 3.73Å; F313-L539 HydrophobicContact CE2-CD2 4.11Å; F313-L539 HydrophobicContact CG-CD1 4.05Å; F313-L539 HydrophobicContact CG-CD2 3.94Å; L539-N603 PolarHBondContact N-O 2.89Å; L539-G604 CarbonylContact O-C 3.59Å; L539-G604 WeakPolarHBondContact O-CA 3.31Å; L539-L605 PolarHBondContact O-N 2.76Å; L539-F606 HydrophobicContact CD2-CZ 3.89Å; L539-F606 HydrophobicContact CG-CZ 4.44Å; L539-I630 HydrophobicContact CB-CD1 4.23Å; L539-I630 HydrophobicContact CD2-CD1 4Å; L539-L633 HydrophobicContact CB-CD1 3.85Å
540F94.8Very high87.7Confident17 Ų1734.1 Ų34.18%0.07520%0.195CC..EExtended strand (participates in β ladder)trans-104.7137.9170.8-70.611.9000109.9L316 H590 L593 M594 L597 L605 L608L316-F540 HydrophobicContact CB-CB 4.21Å; L316-F540 HydrophobicContact CD2-CB 4.4Å; F540-H590 AromaticContact CE2-CE1 3.63Å; F540-H590 AromaticContact CE2-ND1 3.63Å; F540-L593 HydrophobicContact CE2-CB 3.97Å; F540-L593 HydrophobicContact CE2-CD1 4.08Å; F540-L593 HydrophobicContact CZ-CB 3.95Å; F540-M594 HydrophobicContact CZ-CB 4.47Å; F540-L597 HydrophobicContact CE1-CD2 3.93Å; F540-L605 CarbonylContact C-O 3.56Å; F540-L605 WeakPolarHBondContact CA-O 3.24Å; F540-L605 HydrophobicContact CD1-CB 3.75Å; F540-L605 HydrophobicContact CD1-CD2 3.98Å; F540-L605 HydrophobicContact CD1-CG 4.48Å; F540-L605 HydrophobicContact CD2-CD2 4.2Å; F540-L605 HydrophobicContact CE1-CB 4.18Å; F540-L605 HydrophobicContact CE1-CD2 4Å; F540-L605 HydrophobicContact CE2-CD2 4.21Å; F540-L605 HydrophobicContact CG-CB 4.32Å; F540-L605 HydrophobicContact CG-CD2 4.1Å; F540-L605 HydrophobicContact CZ-CD2 4.12Å; F540-L608 HydrophobicContact CB-CD2 4.45Å; F540-L608 HydrophobicContact CD2-CD2 4.28Å
541S94.9Very high87.6Confident0 Ų032.6 Ų32.60%018%0.183CC..  trans-145.9138.8180-176.40000111.8T380 S543 L605 F606 G607 L608T380-S541 WeakPolarHBondContact CG2-OG 3.35Å; T380-S541 WeakPolarHBondContact OG1-CA 3.27Å; T380-S541 PolarHBondContact OG1-OG 2.94Å; S541-S543 VanDerWaalsContact C-N 3.28Å; S541-S543 WeakPolarHBondContact OG-CB 3.41Å; S541-S543 PolarHBondContact OG-N 2.91Å; S541-S543 PolarHBondContact OG-OG 3.16Å; S541-L605 PolarHBondContact N-O 2.97Å; S541-F606 CarbonylContact O-C 3.53Å; S541-F606 WeakPolarHBondContact O-CA 3.49Å; S541-G607 PolarHBondContact O-N 3.01Å; S541-L608 VanDerWaalsContact O-CB 3.25Å; S541-L608 WeakPolarHBondContact O-CB 3.31Å; S541-L608 PolarHBondContact O-N 2.96Å
542S94.9Very high87.6Confident5 Ų527.8 Ų27.84%0.03516%0.164CC..SBendtrans-76.5-14.9164.760.70000112.8A361 G379 T380A361-S542 WeakPolarHBondContact CB-OG 3.41Å; A361-S542 PolarHBondContact O-OG 3.07Å; G379-S542 WeakPolarHBondContact CA-OG 3.34Å; T380-S542 PolarHBondContact N-OG 3.03Å; T380-S542 PolarHBondContact OG1-N 3.33Å; T380-S542 PolarHBondContact OG1-OG 2.9Å; T380-S542 VanDerWaalsContact OG1-OG 3.04Å
543S93.5Very high87.6Confident0 Ų025.5 Ų25.50%015%0.148CC..SBendtrans-76.6157.7178.185.10000113.1S303 S541 F606 G607S303-S543 WeakPolarHBondContact O-CA 3.36Å; S303-S543 WeakPolarHBondContact O-CB 3.17Å; S541-S543 VanDerWaalsContact C-N 3.28Å; S541-S543 WeakPolarHBondContact OG-CB 3.41Å; S541-S543 PolarHBondContact OG-N 2.91Å; S541-S543 PolarHBondContact OG-OG 3.16Å; S543-F606 WeakPolarHBondContact O-CB 3.35Å; S543-G607 PolarHBondContact O-N 2.83Å
544D91.2Very high87.6Confident10 Ų1025.8 Ų25.85%0.05315%0.147CC..PPolyproline II helixtrans-63.9172.1159.5-104.851.3000110.9S303 Q304 P305 T784 E785 S786S303-D544 PolarHBondContact O-N 2.71Å; Q304-D544 HydrophobicContact CB-CB 4.29Å; Q304-D544 HydrophobicContact CG-CB 4.44Å; P305-D544 VanDerWaalsContact CD-O 3.3Å; P305-D544 WeakPolarHBondContact CD-O 3.33Å; P305-D544 WeakPolarHBondContact CG-O 3.33Å; D544-T784 HydrophobicContact CB-CG2 4.49Å; D544-T784 VanDerWaalsContact CG-CB 3.49Å; D544-T784 WeakPolarHBondContact OD1-CA 3.48Å; D544-T784 VanDerWaalsContact OD1-CB 3.25Å; D544-T784 WeakPolarHBondContact OD1-CB 3.44Å; D544-T784 WeakPolarHBondContact OD1-CG2 3.38Å; D544-T784 WeakPolarHBondContact OD2-CB 3.22Å; D544-E785 PolarHBondContact OD1-N 3.4Å; D544-E785 PolarHBondContact OD2-N 3.29Å; D544-E785 VanDerWaalsContact OD2-N 3.09Å; D544-S786 WeakPolarHBondContact OD2-CB 3.36Å; D544-S786 PolarHBondContact OD2-N 2.75Å; D544-S786 PolarHBondContact OD2-OG 2.79Å
545F85.9Confident87.7Confident9 Ų923.1 Ų23.14%0.03913%0.133CC..PPolyproline II helixtrans-69.2133.8179.2-47.2-70.6000111.8I551 F606 T626 V628 T784 P788F545-I551 HydrophobicContact CB-CD1 4.13Å; F545-I551 HydrophobicContact CD1-CD1 3.37Å; F545-I551 HydrophobicContact CE1-CD1 3.87Å; F545-I551 HydrophobicContact CG-CD1 3.82Å; F545-F606 HydrophobicContact CD1-CB 3.73Å; F545-F606 AromaticContact CD1-CD1 4Å; F545-F606 HydrophobicContact CD1-CD1 4Å; F545-F606 AromaticContact CD1-CD2 3.58Å; F545-F606 HydrophobicContact CD1-CD2 3.58Å; F545-F606 HydrophobicContact CD1-CE2 4.18Å; F545-F606 AromaticContact CD1-CG 3.48Å; F545-F606 HydrophobicContact CD1-CG 3.48Å; F545-F606 VanDerWaalsContact CD1-CG 3.48Å; F545-F606 HydrophobicContact CE1-CB 3.5Å; F545-F606 VanDerWaalsContact CE1-CB 3.5Å; F545-F606 AromaticContact CE1-CD2 3.52Å; F545-F606 HydrophobicContact CE1-CD2 3.52Å; F545-F606 HydrophobicContact CE1-CE2 4.4Å; F545-F606 AromaticContact CE1-CG 3.61Å; F545-F606 HydrophobicContact CE1-CG 3.61Å; F545-F606 HydrophobicContact CZ-CB 4.22Å; F545-T626 HydrophobicContact CZ-CG2 3.78Å; F545-V628 HydrophobicContact CE1-CB 4.42Å; F545-V628 HydrophobicContact CE1-CG1 3.53Å; F545-V628 HydrophobicContact CE1-CG2 4.02Å; F545-V628 HydrophobicContact CZ-CG1 3.76Å; F545-T784 HydrophobicContact CD2-CG2 4.13Å; F545-T784 HydrophobicContact CE2-CG2 3.66Å; F545-T784 WeakPolarHBondContact CE2-OG1 3.44Å; F545-T784 HydrophobicContact CZ-CG2 3.94Å; F545-P788 HydrophobicContact CE2-CG 4.43Å
546P86Confident87.8Confident5 Ų523.1 Ų23.13%0.03213%0.133CC..PPolyproline II helixtrans-66.9141.1165.6-12.125.1000110.6P305 I310 F313 I504 E548 L549P305-P546 HydrophobicContact CB-CB 4.09Å; P305-P546 HydrophobicContact CB-CG 4.24Å; P305-P546 HydrophobicContact CG-CB 4.24Å; P305-P546 HydrophobicContact CG-CG 3.95Å; I310-P546 HydrophobicContact CD1-CG 4.19Å; F313-P546 HydrophobicContact CE2-CG 3.76Å; F313-P546 HydrophobicContact CZ-CG 3.58Å; I504-P546 HydrophobicContact CD1-CB 3.7Å; I504-P546 HydrophobicContact CD1-CG 3.68Å; P546-E548 PolarHBondContact O-N 2.88Å; P546-L549 HydrophobicContact CB-CB 4.33Å; P546-L549 HydrophobicContact CG-CB 4.29Å; P546-L549 WeakPolarHBondContact O-CB 3.15Å; P546-L549 PolarHBondContact O-N 2.82Å; P546-L549 VanDerWaalsContact O-N 3.07Å
547P78.1Confident87.9Confident85 Ų8523.2 Ų23.255%0.55213%0.132SC*.THydrogen-bonded Turntrans-67.2-17.4-17926-32.3000113.8P307P307-P547 HydrophobicContact CB-CG 4.29Å; P307-P547 HydrophobicContact CG-CG 4.04Å
548E78.8Confident88.2Confident45 Ų4521.1 Ų21.121%0.2112%0.121CC..THydrogen-bonded Turntrans-80.8-13.2173.5-62.874.5-161.200114.3P307 G308 N501 P546 V550P307-E548 VanDerWaalsContact C-OE1 3.32Å; P307-E548 WeakPolarHBondContact CA-OE1 3.34Å; P307-E548 WeakPolarHBondContact CB-OE1 3.47Å; G308-E548 VanDerWaalsContact N-CD 3.32Å; G308-E548 PolarHBondContact N-OE1 2.76Å; G308-E548 PolarHBondContact N-OE2 2.85Å; N501-E548 HydrophobicContact CB-CB 4.31Å; P546-E548 PolarHBondContact O-N 2.88Å; E548-V550 PolarHBondContact O-N 2.84Å
549L85.1Confident88.2Confident17 Ų1719.6 Ų19.69%0.08911%0.113CC..  trans-79.5117-168.7-173.865.2000111.7I504 P546 I551 F606 I630I504-L549 HydrophobicContact CG2-CD1 3.79Å; P546-L549 HydrophobicContact CB-CB 4.33Å; P546-L549 HydrophobicContact CG-CB 4.29Å; P546-L549 WeakPolarHBondContact O-CB 3.15Å; P546-L549 PolarHBondContact O-N 2.82Å; P546-L549 VanDerWaalsContact O-N 3.07Å; L549-I551 HydrophobicContact CD2-CD1 4.1Å; L549-I551 HydrophobicContact CD2-CG1 4.26Å; L549-I551 HydrophobicContact CG-CD1 4.41Å; L549-I551 HydrophobicContact CG-CG1 4.22Å; L549-I551 PolarHBondContact O-N 2.98Å; L549-F606 HydrophobicContact CD2-CE1 4.04Å; L549-F606 HydrophobicContact CD2-CE2 3.91Å; L549-F606 HydrophobicContact CD2-CZ 3.36Å; L549-I630 HydrophobicContact CD1-CG2 3.86Å; L549-I630 HydrophobicContact CD2-CD1 4.38Å; L549-I630 HydrophobicContact CD2-CG1 4.27Å
550V83.2Confident88.1Confident59 Ų5919.4 Ų19.436%0.35811%0.112SC..  trans-76.393.1-179.7-175.10000110.7P500 E548 G631P500-V550 HydrophobicContact CB-CG2 4.16Å; E548-V550 PolarHBondContact O-N 2.84Å; V550-G631 PolarHBondContact O-N 2.85Å
551I85.3Confident87.9Confident17 Ų1719.5 Ų19.59%0.08711%0.112CC..EExtended strand (participates in β ladder)trans-92.8139.9172.8-70.1160000110F545 L549 V628 Y629 P788F545-I551 HydrophobicContact CB-CD1 4.13Å; F545-I551 HydrophobicContact CD1-CD1 3.37Å; F545-I551 HydrophobicContact CE1-CD1 3.87Å; F545-I551 HydrophobicContact CG-CD1 3.82Å; L549-I551 HydrophobicContact CD2-CD1 4.1Å; L549-I551 HydrophobicContact CD2-CG1 4.26Å; L549-I551 HydrophobicContact CG-CD1 4.41Å; L549-I551 HydrophobicContact CG-CG1 4.22Å; L549-I551 PolarHBondContact O-N 2.98Å; I551-V628 HydrophobicContact CD1-CB 4.47Å; I551-V628 HydrophobicContact CD1-CG1 4.33Å; I551-V628 HydrophobicContact CD1-CG2 4.3Å; I551-V628 HydrophobicContact CG1-CB 4.33Å; I551-V628 HydrophobicContact CG1-CG2 4.29Å; I551-V628 HydrophobicContact CG2-CB 3.88Å; I551-V628 HydrophobicContact CG2-CG1 3.93Å; I551-Y629 CarbonylContact C-O 3.56Å; I551-Y629 WeakPolarHBondContact CA-O 3.12Å; I551-P788 HydrophobicContact CB-CB 3.86Å; I551-P788 HydrophobicContact CB-CG 4.49Å; I551-P788 HydrophobicContact CD1-CB 3.81Å; I551-P788 HydrophobicContact CD1-CG 4.39Å; I551-P788 HydrophobicContact CG1-CB 4.45Å; I551-P788 HydrophobicContact CG2-CB 3.78Å; I551-P788 HydrophobicContact CG2-CG 3.87Å
552I85.5Confident87.6Confident57 Ų5719.5 Ų19.529%0.29211%0.112SC..EExtended strand (participates in β ladder)trans-119.3136.5-178.1-51.3178.9000108.9Y629 P680I552-Y629 HydrophobicContact CB-CD1 4.08Å; I552-Y629 HydrophobicContact CD1-CD1 4.15Å; I552-Y629 HydrophobicContact CD1-CE1 4.25Å; I552-Y629 HydrophobicContact CG1-CD1 4.38Å; I552-Y629 PolarHBondContact N-O 3.11Å; I552-P680 HydrophobicContact CG2-CG 3.96Å
553G83.8Confident87.2Confident20 Ų2020.7 Ų20.721%0.20612%0.12CC..EExtended strand (participates in β ladder)trans82.7-171.5178.400000114.6Y677G553-Y677 CarbonylContact C-O 3.5Å; G553-Y677 WeakPolarHBondContact CA-O 3.42Å
554N84.8Confident86.8Confident21 Ų2125 Ų2511%0.11214%0.136CC..EExtended strand (participates in β ladder)trans-89137.7178.2-54.6-35.8000110.2M602 L676 Y677N554-M602 WeakPolarHBondContact O-CE 3.48Å; N554-L676 PolarHBondContact ND2-O 3.09Å; N554-L676 VanDerWaalsContact ND2-O 3.07Å; N554-Y677 HydrophobicContact CB-CD1 4.46Å; N554-Y677 PolarHBondContact N-O 2.8Å
555P89.4Confident86.4Confident4 Ų427 Ų273%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-67.8155.4173.225.7-31.3000113.2T626 G627 V628 I780 T782 P788P555-T626 HydrophobicContact CB-CG2 3.58Å; P555-G627 WeakPolarHBondContact CA-O 3.38Å; P555-V628 HydrophobicContact CB-CG1 3.98Å; P555-I780 HydrophobicContact CG-CG2 3.77Å; P555-T782 HydrophobicContact CB-CG2 4.11Å; P555-T782 HydrophobicContact CG-CG2 3.84Å; P555-P788 HydrophobicContact CG-CG 4.24Å
556A89.3Confident86.3Confident0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-126.614217800000111.6V558 M602 T626 G627 Y677A556-V558 PolarHBondContact O-N 2.82Å; A556-M602 HydrophobicContact CB-CE 3.74Å; A556-M602 HydrophobicContact CB-SD 3.85Å; A556-T626 CarbonylContact O-C 3.57Å; A556-T626 WeakPolarHBondContact O-CA 3.49Å; A556-G627 PolarHBondContact N-O 2.98Å; A556-G627 PolarHBondContact O-N 2.88Å; A556-Y677 HydrophobicContact CB-CD1 3.96Å; A556-Y677 HydrophobicContact CB-CE1 3.36Å; A556-Y677 HydrophobicContact CB-CE2 4.39Å
557L91.4Very high86.3Confident19 Ų1933 Ų3310%0.09918%0.177CC..EExtended strand (participates in β ladder)trans-70.7124.9164.3178.567.4000109.5L781 T783 Y1031L557-L781 HydrophobicContact CB-CB 3.69Å; L557-L781 HydrophobicContact CB-CD1 4.18Å; L557-L781 HydrophobicContact CD2-CD1 4.28Å; L557-L781 PolarHBondContact N-O 3.24Å; L557-T783 HydrophobicContact CD1-CG2 3.79Å; L557-Y1031 HydrophobicContact CD1-CE2 4.5Å; L557-Y1031 HydrophobicContact CD2-CE2 4.17Å; L557-Y1031 WeakPolarHBondContact CD2-OH 3.5Å
558V92.6Very high86.6Confident3 Ų332.7 Ų32.72%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-115.7122174.1-179.60000108.2A556 L593 K596 L597 L605 G625A556-V558 PolarHBondContact O-N 2.82Å; V558-L593 HydrophobicContact CG1-CD2 4.08Å; V558-K596 HydrophobicContact CG1-CB 3.98Å; V558-L597 HydrophobicContact CG2-CD1 4.03Å; V558-L605 HydrophobicContact CB-CD1 3.96Å; V558-L605 HydrophobicContact CG1-CD1 4.45Å; V558-L605 HydrophobicContact CG2-CD1 4.45Å; V558-G625 PolarHBondContact N-O 2.99Å; V558-G625 PolarHBondContact O-N 2.83Å
559Q91.5Very high86.8Confident14 Ų1431.7 Ų31.77%0.06517%0.168CC..EExtended strand (participates in β ladder)trans-128.6115.2-176.4178.7167.742.400110.4K596 A623 T624 N1011Q559-K596 WeakPolarHBondContact O-CD 3.32Å; Q559-K596 PolarHBondContact O-NZ 3.22Å; Q559-A623 CarbonylContact C-O 3.45Å; Q559-A623 WeakPolarHBondContact CA-O 3.33Å; Q559-T624 HydrophobicContact CB-CG2 4.1Å; Q559-T624 HydrophobicContact CG-CG2 3.69Å; Q559-N1011 PolarHBondContact OE1-ND2 2.7Å; Q559-N1011 VanDerWaalsContact OE1-ND2 3.12Å
560A90.9Very high86.8Confident0 Ų035.3 Ų35.30%018%0.183CC..EExtended strand (participates in β ladder)trans-90.3158.5162.300000110.5L589 R592 L593 A623A560-L589 HydrophobicContact CB-CD2 3.92Å; A560-R592 HydrophobicContact CB-CB 3.88Å; A560-L593 HydrophobicContact CB-CD2 3.63Å; A560-L593 HydrophobicContact CB-CG 3.64Å; A560-A623 HydrophobicContact CB-CB 4.39Å; A560-A623 PolarHBondContact N-O 2.89Å; A560-A623 PolarHBondContact O-N 2.91Å; A560-A623 VanDerWaalsContact O-N 3.07Å
561R89.5Confident87Confident19 Ų1933 Ų337%0.07217%0.171CC..EExtended strand (participates in β ladder)trans-156139.4-176.360.8-169.5178.1-116.9-5.5108.6R592 A621 I622 D772 L1003 G1004 L1007R561-R592 PolarHBondContact O-NH1 2.96Å; R561-A621 CarbonylContact C-O 3.5Å; R561-A621 WeakPolarHBondContact CA-O 3.01Å; R561-I622 HydrophobicContact CB-CG2 4.35Å; R561-D772 IonicContact CZ-OD1 3.63Å; R561-D772 VanDerWaalsContact CZ-OD1 3.25Å; R561-D772 IonicContact CZ-OD2 3.27Å; R561-D772 IonicContact NH1-OD1 2.75Å; R561-D772 PolarHBondContact NH1-OD1 2.79Å; R561-D772 IonicContact NH1-OD2 3.02Å; R561-D772 PolarHBondContact NH1-OD2 3.02Å; R561-D772 VanDerWaalsContact NH1-OD2 3.13Å; R561-D772 IonicContact NH2-OD1 3.72Å; R561-D772 PolarHBondContact NH2-OD1 3.24Å; R561-D772 IonicContact NH2-OD2 2.69Å; R561-D772 PolarHBondContact NH2-OD2 2.83Å; R561-L1003 HydrophobicContact CB-CD2 4.46Å; R561-G1004 VanDerWaalsContact NE-CA 3.32Å; R561-L1007 HydrophobicContact CB-CD1 3.99Å
562V88.4Confident87.2Confident1 Ų139.7 Ų39.71%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-137.7144.2175.9176.40000107.6R564 I585 E588 L589 A620 A621 L1003V562-R564 HydrophobicContact CG1-CG 4.18Å; V562-I585 HydrophobicContact CB-CG2 4.32Å; V562-I585 HydrophobicContact CG1-CB 4.44Å; V562-I585 HydrophobicContact CG1-CG1 3.98Å; V562-I585 HydrophobicContact CG1-CG2 4.29Å; V562-E588 WeakPolarHBondContact CG1-OE2 3.39Å; V562-E588 HydrophobicContact CG2-CB 3.84Å; V562-E588 HydrophobicContact CG2-CG 3.64Å; V562-L589 HydrophobicContact CB-CD2 4.37Å; V562-L589 HydrophobicContact CB-CG 4.41Å; V562-L589 HydrophobicContact CG2-CD2 3.79Å; V562-L589 HydrophobicContact CG2-CG 3.76Å; V562-A620 WeakPolarHBondContact O-CA 3.32Å; V562-A621 PolarHBondContact N-O 3.42Å; V562-A621 PolarHBondContact O-N 2.99Å; V562-L1003 WeakPolarHBondContact O-CD2 3.37Å
563C86.2Confident87.5Confident30 Ų3041.5 Ų41.520%0.20322%0.215CC..EExtended strand (participates in β ladder)trans-145.4130.7174.7-168.60000107.2M618 I619 L1003C563-M618 WeakPolarHBondContact SG-CE 3.2Å; C563-I619 WeakPolarHBondContact CA-O 3.21Å; C563-L1003 HydrophobicContact CB-CB 4.25Å; C563-L1003 HydrophobicContact CB-CD2 3.94Å
564R85.4Confident87.8Confident89 Ų8940.6 Ų40.634%0.33621%0.205SC..EExtended strand (participates in β ladder)trans-136.8143.8-178.1-68.9178.9172-110.7-5.5109.6V562 E588 M618 I619V562-R564 HydrophobicContact CG1-CG 4.18Å; R564-E588 IonicContact CZ-OE2 2.7Å; R564-E588 IonicContact NE-OE2 3.76Å; R564-E588 PolarHBondContact NE-OE2 3.2Å; R564-E588 VanDerWaalsContact NE-OE2 3.16Å; R564-E588 IonicContact NH2-OE2 3.7Å; R564-E588 PolarHBondContact NH2-OE2 3.45Å; R564-M618 VanDerWaalsContact O-CA 3.3Å; R564-M618 WeakPolarHBondContact O-CA 3.29Å; R564-I619 HydrophobicContact CB-CG2 4.08Å; R564-I619 PolarHBondContact N-O 2.79Å; R564-I619 PolarHBondContact O-N 3.35Å
565S82.6Confident88.2Confident53 Ų5340.2 Ų40.237%0.37121%0.206SC..EExtended strand (participates in β ladder)trans-65.8145.3168.854.60000111Y617S565-Y617 WeakPolarHBondContact CA-O 3.34Å
566K84.8Confident88.4Confident9 Ų942.9 Ų42.94%0.03922%0.224CC..  trans-128.9148.5173168.4-163.7163.8-680106.8T569 L578 V614 E616 Y617K566-T569 PolarHBondContact NZ-O 3.35Å; K566-L578 HydrophobicContact CD-CD2 4.37Å; K566-V614 HydrophobicContact CD-CG1 4.27Å; K566-E616 PolarHBondContact NZ-O 2.82Å; K566-Y617 PolarHBondContact N-O 3.4Å; K566-Y617 CarbonylContact O-C 3.45Å; K566-Y617 WeakPolarHBondContact O-CA 3.47Å; K566-Y617 VanDerWaalsContact O-O 3.05Å
567K85.9Confident88.5Confident132 Ų13243.6 Ų43.657%0.57423%0.227SC*.  trans-73.2151.7171.7-59.3158.1-157.71290110.5T569 E577K567-T569 HydrophobicContact CB-CG2 3.76Å; K567-T569 HydrophobicContact CD-CG2 4.45Å; K567-T569 PolarHBondContact O-N 2.94Å; K567-T569 PolarHBondContact O-OG1 3.17Å; K567-E577 WeakPolarHBondContact CB-OE2 3.47Å; K567-E577 VanDerWaalsContact CD-OE1 3.24Å; K567-E577 WeakPolarHBondContact CD-OE1 3.33Å; K567-E577 VanDerWaalsContact CE-OE1 3.23Å; K567-E577 WeakPolarHBondContact CE-OE1 3.48Å; K567-E577 VanDerWaalsContact CG-OE1 3.26Å; K567-E577 WeakPolarHBondContact CG-OE1 3.3Å; K567-E577 PolarHBondContact N-OE1 3.03Å; K567-E577 IonicContact NZ-OE1 3.36Å; K567-E577 PolarHBondContact NZ-OE1 2.95Å
568D83.3Confident88.6Confident78 Ų7842.7 Ų42.742%0.41722%0.223SC..SBendtrans-66.7103.4160.617735.9000108.5K570 E616 Y617D568-K570 IonicContact OD1-NZ 3.79Å; D568-E616 HydrophobicContact CB-CG 4.42Å; D568-Y617 HydrophobicContact CB-CD1 4.45Å; D568-Y617 HydrophobicContact CB-CE1 3.81Å
569T84.9Confident88.6Confident24 Ų2445.2 Ų45.215%0.14724%0.241CC..  trans-147.8150.9-177.653.70000106.4K566 K567 V573 A574 E577K566-T569 PolarHBondContact NZ-O 3.35Å; K567-T569 HydrophobicContact CB-CG2 3.76Å; K567-T569 HydrophobicContact CD-CG2 4.45Å; K567-T569 PolarHBondContact O-N 2.94Å; K567-T569 PolarHBondContact O-OG1 3.17Å; T569-V573 HydrophobicContact CG2-CG1 3.82Å; T569-A574 WeakPolarHBondContact O-CB 3.26Å; T569-E577 PolarHBondContact OG1-OE2 3Å
570K84.8Confident88.7Confident93 Ų9350.2 Ų50.240%0.40426%0.264SS..  trans-136.6160.2-175.5-51.9-176.8-176.8-69.80109E370 D568E370-K570 IonicContact OE1-NZ 2.87Å; E370-K570 PolarHBondContact OE1-NZ 3.02Å; E370-K570 WeakPolarHBondContact OE2-CD 3.46Å; E370-K570 WeakPolarHBondContact OE2-CE 3.22Å; E370-K570 VanDerWaalsContact OE2-CG 3.25Å; E370-K570 WeakPolarHBondContact OE2-CG 3.49Å; E370-K570 IonicContact OE2-NZ 2.91Å; E370-K570 PolarHBondContact OE2-NZ 3.37Å; D568-K570 IonicContact OD1-NZ 3.79Å
571G86.1Confident88.7Confident11 Ų1151.3 Ų51.311%0.11327%0.27CS..Hα-helixtrans62.1-145.5179.100000114.5D371 V573 A574 A575D371-G571 WeakPolarHBondContact OD1-CA 3.36Å; D371-G571 PolarHBondContact OD1-N 2.67Å; D371-G571 WeakPolarHBondContact OD2-CA 3.26Å; D371-G571 PolarHBondContact OD2-N 2.93Å; G571-V573 PolarHBondContact O-N 2.94Å; G571-V573 VanDerWaalsContact O-N 3.15Å; G571-A574 WeakPolarHBondContact O-CB 3.4Å; G571-A574 PolarHBondContact O-N 3Å; G571-A575 PolarHBondContact O-N 2.87Å
572E90Very high88.9Confident157 Ų15750.9 Ų50.973%0.73427%0.269SS*.Hα-helixtrans-53.4-36.8-175.3-172.4177.9-17300113.6A575 S576E572-A575 PolarHBondContact O-N 2.68Å; E572-S576 PolarHBondContact O-N 2.82Å
573V92.3Very high89Confident94 Ų9454.6 Ų54.657%0.5729%0.293SS*.Hα-helixtrans-65.6-41.5178.4-174.70000111.2T569 G571 S576 E577T569-V573 HydrophobicContact CG2-CG1 3.82Å; G571-V573 PolarHBondContact O-N 2.94Å; G571-V573 VanDerWaalsContact O-N 3.15Å; V573-S576 PolarHBondContact O-N 3.25Å; V573-E577 WeakPolarHBondContact O-CB 3.44Å; V573-E577 PolarHBondContact O-N 3.17Å
574A90.2Very high89.3Confident1 Ų159.1 Ų59.11%0.00831%0.31CS..Hα-helixtrans-69.4-36.7174.900000111.8V372 T569 G571 E577 L578V372-A574 HydrophobicContact CG2-CB 4.06Å; T569-A574 WeakPolarHBondContact O-CB 3.26Å; G571-A574 WeakPolarHBondContact O-CB 3.4Å; G571-A574 PolarHBondContact O-N 3Å; A574-E577 PolarHBondContact O-N 3.28Å; A574-L578 VanDerWaalsContact O-CB 3.31Å; A574-L578 WeakPolarHBondContact O-CB 3.38Å; A574-L578 VanDerWaalsContact O-CG 3.24Å; A574-L578 WeakPolarHBondContact O-CG 3.4Å; A574-L578 PolarHBondContact O-N 2.82Å
575A92.2Very high89.5Confident14 Ų1455 Ų5512%0.11629%0.294CS..Hα-helixtrans-63.9-40.9175.200000112.1V322 V372 G571 E572 S579V322-A575 HydrophobicContact CG1-CB 4.04Å; V372-A575 HydrophobicContact CG1-CB 4.09Å; V372-A575 HydrophobicContact CG2-CB 4.11Å; G571-A575 PolarHBondContact O-N 2.87Å; E572-A575 PolarHBondContact O-N 2.68Å; A575-S579 VanDerWaalsContact O-CB 3.31Å; A575-S579 WeakPolarHBondContact O-CB 3.42Å; A575-S579 PolarHBondContact O-N 2.88Å; A575-S579 PolarHBondContact O-OG 3.29Å
576S93.4Very high89.9Confident60 Ų6054.7 Ų54.742%0.4229%0.288SS..Hα-helixtrans-63.2-51.9172.8-164.90000111.2E572 V573 L578 S579 E580E572-S576 PolarHBondContact O-N 2.82Å; V573-S576 PolarHBondContact O-N 3.25Å; S576-L578 VanDerWaalsContact C-N 3.32Å; S576-L578 PolarHBondContact O-N 3.41Å; S576-S579 WeakPolarHBondContact O-CB 3.37Å; S576-S579 PolarHBondContact O-N 2.98Å; S576-E580 WeakPolarHBondContact O-CG 3.39Å; S576-E580 PolarHBondContact O-N 3.11Å; S576-E580 PolarHBondContact OG-OE1 3.11Å
577E92.3Very high90.2Very high14 Ų1457.2 Ų57.27%0.06530%0.298CS..Hα-helixtrans-59-41.1-179.2179.8163.2-142.700112.3K567 T569 V573 A574 I581K567-E577 WeakPolarHBondContact CB-OE2 3.47Å; K567-E577 VanDerWaalsContact CD-OE1 3.24Å; K567-E577 WeakPolarHBondContact CD-OE1 3.33Å; K567-E577 VanDerWaalsContact CE-OE1 3.23Å; K567-E577 WeakPolarHBondContact CE-OE1 3.48Å; K567-E577 VanDerWaalsContact CG-OE1 3.26Å; K567-E577 WeakPolarHBondContact CG-OE1 3.3Å; K567-E577 PolarHBondContact N-OE1 3.03Å; K567-E577 IonicContact NZ-OE1 3.36Å; K567-E577 PolarHBondContact NZ-OE1 2.95Å; T569-E577 PolarHBondContact OG1-OE2 3Å; V573-E577 WeakPolarHBondContact O-CB 3.44Å; V573-E577 PolarHBondContact O-N 3.17Å; A574-E577 PolarHBondContact O-N 3.28Å; E577-I581 HydrophobicContact CG-CD1 3.82Å; E577-I581 WeakPolarHBondContact O-CB 3.49Å; E577-I581 WeakPolarHBondContact O-CD1 3.45Å; E577-I581 WeakPolarHBondContact O-CG1 3.49Å; E577-I581 PolarHBondContact O-N 3.33Å
578L93.1Very high90.3Very high1 Ų152 Ų521%0.00528%0.275CS..Hα-helixtrans-68.4-38.5174.5-71.6169000112.3V372 I374 K566 A574 S576 I581 L582 V614 I619V372-L578 HydrophobicContact CB-CD1 4.46Å; V372-L578 HydrophobicContact CG1-CD1 3.93Å; I374-L578 HydrophobicContact CD1-CD1 4.49Å; I374-L578 HydrophobicContact CD1-CD2 4.4Å; K566-L578 HydrophobicContact CD-CD2 4.37Å; A574-L578 VanDerWaalsContact O-CB 3.31Å; A574-L578 WeakPolarHBondContact O-CB 3.38Å; A574-L578 VanDerWaalsContact O-CG 3.24Å; A574-L578 WeakPolarHBondContact O-CG 3.4Å; A574-L578 PolarHBondContact O-N 2.82Å; S576-L578 VanDerWaalsContact C-N 3.32Å; S576-L578 PolarHBondContact O-N 3.41Å; L578-I581 PolarHBondContact O-N 2.85Å; L578-L582 WeakPolarHBondContact O-CB 3.21Å; L578-L582 VanDerWaalsContact O-CG 3.27Å; L578-L582 WeakPolarHBondContact O-CG 3.49Å; L578-L582 PolarHBondContact O-N 2.99Å; L578-V614 HydrophobicContact CD1-CG1 4.42Å; L578-V614 HydrophobicContact CD2-CG1 4.27Å; L578-V614 HydrophobicContact CD2-CG2 4.3Å; L578-I619 HydrophobicContact CD2-CD1 3.88Å
579S93.4Very high90.7Very high56 Ų5648.3 Ų48.339%0.39226%0.256SS..Hα-helixtrans-64.4-39.9176-59.60000112.2V322 A575 S576 P583V322-S579 WeakPolarHBondContact CB-OG 3.41Å; V322-S579 WeakPolarHBondContact CG2-OG 3.28Å; A575-S579 VanDerWaalsContact O-CB 3.31Å; A575-S579 WeakPolarHBondContact O-CB 3.42Å; A575-S579 PolarHBondContact O-N 2.88Å; A575-S579 PolarHBondContact O-OG 3.29Å; S576-S579 WeakPolarHBondContact O-CB 3.37Å; S576-S579 PolarHBondContact O-N 2.98Å; S579-P583 WeakPolarHBondContact O-CD 3.35Å
580E92.9Very high91Very high118 Ų11851 Ų5155%0.55127%0.267SS*.Hα-helixtrans-66.4-38.2174.8-71.1163.6-13100112S576 F584S576-E580 WeakPolarHBondContact O-CG 3.39Å; S576-E580 PolarHBondContact O-N 3.11Å; S576-E580 PolarHBondContact OG-OE1 3.11Å; E580-F584 WeakPolarHBondContact O-CD2 3.34Å; E580-F584 VanDerWaalsContact O-CE2 3.26Å; E580-F584 WeakPolarHBondContact O-CE2 3.2Å
581I91.5Very high91.2Very high24 Ų2446.8 Ų46.812%0.12325%0.248CC..Hα-helixtrans-77.8-35.6-176.3-70.8166.9000113E577 L578 F584 I585 I619E577-I581 HydrophobicContact CG-CD1 3.82Å; E577-I581 WeakPolarHBondContact O-CB 3.49Å; E577-I581 WeakPolarHBondContact O-CD1 3.45Å; E577-I581 WeakPolarHBondContact O-CG1 3.49Å; E577-I581 PolarHBondContact O-N 3.33Å; L578-I581 PolarHBondContact O-N 2.85Å; I581-F584 PolarHBondContact O-N 2.85Å; I581-I585 HydrophobicContact CG2-CD1 3.61Å; I581-I585 HydrophobicContact CG2-CG1 3.89Å; I581-I585 PolarHBondContact O-N 3.1Å; I581-I619 HydrophobicContact CG2-CG2 3.98Å
582L92.5Very high91.4Very high9 Ų949.6 Ų49.65%0.04726%0.255CS..Hα-helixtrans-57-45-170.7-84.6170.2000115.4K320 V322 I374 L578 F584 I585 D586 I612 I619K320-L582 HydrophobicContact CD-CD2 4.1Å; V322-L582 HydrophobicContact CG2-CD1 3.49Å; V322-L582 VanDerWaalsContact CG2-CD1 3.49Å; I374-L582 HydrophobicContact CD1-CD1 4.27Å; I374-L582 HydrophobicContact CD1-CD2 4.47Å; I374-L582 HydrophobicContact CG1-CD1 4.45Å; I374-L582 HydrophobicContact CG2-CD1 3.87Å; I374-L582 HydrophobicContact CG2-CD2 4.47Å; L578-L582 WeakPolarHBondContact O-CB 3.21Å; L578-L582 VanDerWaalsContact O-CG 3.27Å; L578-L582 WeakPolarHBondContact O-CG 3.49Å; L578-L582 PolarHBondContact O-N 2.99Å; L582-F584 VanDerWaalsContact C-N 3.27Å; L582-F584 PolarHBondContact O-N 3.19Å; L582-I585 WeakPolarHBondContact O-CB 3.43Å; L582-I585 PolarHBondContact O-N 3.17Å; L582-D586 PolarHBondContact O-N 3.17Å; L582-I612 HydrophobicContact CD2-CD1 3.74Å; L582-I619 HydrophobicContact CD2-CD1 4.35Å
583P92Very high91.5Very high80 Ų8042.1 Ų42.152%0.51922%0.22SC..Hα-helixtrans-58.5-37.1177.9-26.535.6000113.2S579 D586 Y587S579-P583 WeakPolarHBondContact O-CD 3.35Å; P583-D586 PolarHBondContact O-N 2.71Å; P583-Y587 WeakPolarHBondContact O-CB 3.41Å; P583-Y587 PolarHBondContact O-N 3.39Å
584F91.1Very high91.4Very high125 Ų12538 Ų3855%0.54820%0.195SC..Hα-helixtrans-70.3-33.6176.2-58.5-75.8000112.2E580 I581 L582 E588E580-F584 WeakPolarHBondContact O-CD2 3.34Å; E580-F584 VanDerWaalsContact O-CE2 3.26Å; E580-F584 WeakPolarHBondContact O-CE2 3.2Å; I581-F584 PolarHBondContact O-N 2.85Å; L582-F584 VanDerWaalsContact C-N 3.27Å; L582-F584 PolarHBondContact O-N 3.19Å; F584-E588 WeakPolarHBondContact O-CB 3.48Å; F584-E588 PolarHBondContact O-N 2.84Å
585I90.6Very high91.4Very high1 Ų138 Ų381%0.00520%0.195CC..Hα-helixtrans-65.1-46.3173-67.9-178.4000110.7V562 I581 L582 E588 L589 I619 A621V562-I585 HydrophobicContact CB-CG2 4.32Å; V562-I585 HydrophobicContact CG1-CB 4.44Å; V562-I585 HydrophobicContact CG1-CG1 3.98Å; V562-I585 HydrophobicContact CG1-CG2 4.29Å; I581-I585 HydrophobicContact CG2-CD1 3.61Å; I581-I585 HydrophobicContact CG2-CG1 3.89Å; I581-I585 PolarHBondContact O-N 3.1Å; L582-I585 WeakPolarHBondContact O-CB 3.43Å; L582-I585 PolarHBondContact O-N 3.17Å; I585-E588 PolarHBondContact O-N 3.11Å; I585-L589 HydrophobicContact CG2-CD1 3.84Å; I585-L589 HydrophobicContact CG2-CG 4.26Å; I585-L589 WeakPolarHBondContact O-CB 3.35Å; I585-L589 VanDerWaalsContact O-CG 3.28Å; I585-L589 WeakPolarHBondContact O-CG 3.4Å; I585-L589 PolarHBondContact O-N 3.14Å; I585-I619 HydrophobicContact CD1-CB 4.46Å; I585-I619 HydrophobicContact CD1-CD1 3.62Å; I585-I619 HydrophobicContact CD1-CG1 3.78Å; I585-I619 HydrophobicContact CD1-CG2 3.85Å; I585-A621 HydrophobicContact CG2-CB 3.63Å
586D91.1Very high91.3Very high48 Ų4838 Ų3826%0.25719%0.193SC..Hα-helixtrans-65-44.9179.4-86-36.2000112.4K320 L582 P583 L589 H590K320-D586 WeakPolarHBondContact CE-OD1 3.26Å; K320-D586 WeakPolarHBondContact CE-OD2 3.12Å; K320-D586 IonicContact NZ-OD1 3.77Å; K320-D586 PolarHBondContact NZ-OD1 2.83Å; K320-D586 IonicContact NZ-OD2 2.98Å; K320-D586 PolarHBondContact NZ-OD2 3.5Å; L582-D586 PolarHBondContact O-N 3.17Å; P583-D586 PolarHBondContact O-N 2.71Å; D586-L589 PolarHBondContact O-N 2.75Å; D586-H590 WeakPolarHBondContact O-CB 3.42Å; D586-H590 PolarHBondContact O-N 2.67Å
587Y90.6Very high91.2Very high61 Ų6135.2 Ų35.224%0.23917%0.173CC..Hα-helixtrans-57.5-49.8173.3173.9-98.8000111.2P583 L589 H590 Y591 L756P583-Y587 WeakPolarHBondContact O-CB 3.41Å; P583-Y587 PolarHBondContact O-N 3.39Å; Y587-L589 PolarHBondContact O-N 2.75Å; Y587-H590 PolarHBondContact O-N 3.13Å; Y587-Y591 WeakPolarHBondContact O-CB 3.38Å; Y587-Y591 PolarHBondContact O-N 2.8Å; Y587-L756 HydrophobicContact CD2-CB 4.27Å; Y587-L756 HydrophobicContact CD2-CD1 3.78Å; Y587-L756 HydrophobicContact CE2-CB 4.04Å; Y587-L756 HydrophobicContact CE2-CD1 4.22Å; Y587-L756 HydrophobicContact CG-CD1 4.35Å
588E88Confident91.1Very high22 Ų2235.8 Ų35.810%0.10317%0.174CC..Hα-helixtrans-66.8-35-178.4-171.1-173.2160.200112.4V562 R564 F584 I585 R592V562-E588 WeakPolarHBondContact CG1-OE2 3.39Å; V562-E588 HydrophobicContact CG2-CB 3.84Å; V562-E588 HydrophobicContact CG2-CG 3.64Å; R564-E588 IonicContact CZ-OE2 2.7Å; R564-E588 IonicContact NE-OE2 3.76Å; R564-E588 PolarHBondContact NE-OE2 3.2Å; R564-E588 VanDerWaalsContact NE-OE2 3.16Å; R564-E588 IonicContact NH2-OE2 3.7Å; R564-E588 PolarHBondContact NH2-OE2 3.45Å; F584-E588 WeakPolarHBondContact O-CB 3.48Å; F584-E588 PolarHBondContact O-N 2.84Å; I585-E588 PolarHBondContact O-N 3.11Å; E588-R592 WeakPolarHBondContact O-CB 3.43Å; E588-R592 WeakPolarHBondContact O-CG 3.41Å; E588-R592 PolarHBondContact O-N 2.91Å; E588-R592 IonicContact OE1-CZ 3.02Å; E588-R592 IonicContact OE1-NE 2.74Å; E588-R592 IonicContact OE1-NH1 2.71Å; E588-R592 PolarHBondContact OE1-NH1 3.44Å; E588-R592 IonicContact OE1-NH2 3.44Å; E588-R592 PolarHBondContact OE1-NH2 3.06Å
589L91.4Very high90.8Very high2 Ų235.8 Ų35.81%0.0117%0.174CC..Hα-helixtrans-65.3-52171.8-78.2173000111.4A560 V562 I585 D586 Y587 Y591 R592 L593 Y610 A621 A623A560-L589 HydrophobicContact CB-CD2 3.92Å; V562-L589 HydrophobicContact CB-CD2 4.37Å; V562-L589 HydrophobicContact CB-CG 4.41Å; V562-L589 HydrophobicContact CG2-CD2 3.79Å; V562-L589 HydrophobicContact CG2-CG 3.76Å; I585-L589 HydrophobicContact CG2-CD1 3.84Å; I585-L589 HydrophobicContact CG2-CG 4.26Å; I585-L589 WeakPolarHBondContact O-CB 3.35Å; I585-L589 VanDerWaalsContact O-CG 3.28Å; I585-L589 WeakPolarHBondContact O-CG 3.4Å; I585-L589 PolarHBondContact O-N 3.14Å; D586-L589 PolarHBondContact O-N 2.75Å; Y587-L589 PolarHBondContact O-N 2.75Å; L589-Y591 PolarHBondContact O-N 3.12Å; L589-R592 PolarHBondContact O-N 3.43Å; L589-L593 WeakPolarHBondContact O-CG 3.07Å; L589-L593 PolarHBondContact O-N 3.43Å; L589-Y610 HydrophobicContact CD1-CD1 4.21Å; L589-Y610 HydrophobicContact CD1-CE1 4.43Å; L589-A621 HydrophobicContact CD1-CB 3.95Å; L589-A623 HydrophobicContact CD2-CB 4.09Å
590H91.4Very high90.6Very high81 Ų8134 Ų3438%0.37516%0.159SC..Hα-helixtrans-58.5-48.8179.4-179.995.2000111F540 D586 Y587 R592 L593 M594F540-H590 AromaticContact CE2-CE1 3.63Å; F540-H590 AromaticContact CE2-ND1 3.63Å; D586-H590 WeakPolarHBondContact O-CB 3.42Å; D586-H590 PolarHBondContact O-N 2.67Å; Y587-H590 PolarHBondContact O-N 3.13Å; H590-R592 PolarHBondContact O-N 3.03Å; H590-L593 WeakPolarHBondContact O-CB 3.2Å; H590-L593 PolarHBondContact O-N 3.05Å; H590-M594 PolarHBondContact O-N 2.99Å
591Y89.3Confident90.5Very high4 Ų428.9 Ų28.92%0.01614%0.135CC..Hα-helixtrans-56.6-48.6175.5173.5-115.8000112.2Y587 L589 L593 M594 Q595 R759 P761 E765Y587-Y591 WeakPolarHBondContact O-CB 3.38Å; Y587-Y591 PolarHBondContact O-N 2.8Å; L589-Y591 PolarHBondContact O-N 3.12Å; Y591-L593 VanDerWaalsContact C-N 3.34Å; Y591-L593 PolarHBondContact O-N 3.49Å; Y591-M594 HydrophobicContact CD2-CE 4.3Å; Y591-M594 PolarHBondContact O-N 3.16Å; Y591-Q595 HydrophobicContact CD2-CG 3.98Å; Y591-Q595 HydrophobicContact CE1-CG 4.49Å; Y591-Q595 HydrophobicContact CE2-CG 3.54Å; Y591-Q595 VanDerWaalsContact CE2-NE2 3.3Å; Y591-Q595 WeakPolarHBondContact O-CG 3.48Å; Y591-Q595 PolarHBondContact O-N 3.35Å; Y591-R759 VanDerWaalsContact CE2-O 3.24Å; Y591-R759 WeakPolarHBondContact CE2-O 3.49Å; Y591-R759 PolarHBondContact OH-NH1 2.97Å; Y591-P761 WeakPolarHBondContact OH-CA 3.29Å; Y591-P761 VanDerWaalsContact OH-CB 3.31Å; Y591-P761 WeakPolarHBondContact OH-CB 3.45Å; Y591-E765 PolarHBondContact OH-OE2 2.92Å
592R89.5Confident90.5Very high69 Ų6927.8 Ų27.826%0.2613%0.13SC..Hα-helixtrans-67.7-29.3177.6-74.9176.3173.9177.49.8113.4A560 R561 E588 L589 H590 K596A560-R592 HydrophobicContact CB-CB 3.88Å; R561-R592 PolarHBondContact O-NH1 2.96Å; E588-R592 WeakPolarHBondContact O-CB 3.43Å; E588-R592 WeakPolarHBondContact O-CG 3.41Å; E588-R592 PolarHBondContact O-N 2.91Å; E588-R592 IonicContact OE1-CZ 3.02Å; E588-R592 IonicContact OE1-NE 2.74Å; E588-R592 IonicContact OE1-NH1 2.71Å; E588-R592 PolarHBondContact OE1-NH1 3.44Å; E588-R592 IonicContact OE1-NH2 3.44Å; E588-R592 PolarHBondContact OE1-NH2 3.06Å; L589-R592 PolarHBondContact O-N 3.43Å; H590-R592 PolarHBondContact O-N 3.03Å; R592-K596 WeakPolarHBondContact O-CB 3.3Å; R592-K596 WeakPolarHBondContact O-CD 3.42Å; R592-K596 WeakPolarHBondContact O-CG 3.44Å; R592-K596 PolarHBondContact O-N 2.88Å
593L92.3Very high90.5Very high0 Ų027.3 Ų27.30%013%0.127CC..Hα-helixtrans-65.9-51.7169.4-72173.5000110.2F540 V558 A560 L589 H590 Y591 Q595 K596 L597 L605 L608 A623F540-L593 HydrophobicContact CE2-CB 3.97Å; F540-L593 HydrophobicContact CE2-CD1 4.08Å; F540-L593 HydrophobicContact CZ-CB 3.95Å; V558-L593 HydrophobicContact CG1-CD2 4.08Å; A560-L593 HydrophobicContact CB-CD2 3.63Å; A560-L593 HydrophobicContact CB-CG 3.64Å; L589-L593 WeakPolarHBondContact O-CG 3.07Å; L589-L593 PolarHBondContact O-N 3.43Å; H590-L593 WeakPolarHBondContact O-CB 3.2Å; H590-L593 PolarHBondContact O-N 3.05Å; Y591-L593 VanDerWaalsContact C-N 3.34Å; Y591-L593 PolarHBondContact O-N 3.49Å; L593-Q595 PolarHBondContact O-N 3.01Å; L593-K596 PolarHBondContact O-N 3.3Å; L593-L597 WeakPolarHBondContact O-CB 3.45Å; L593-L597 PolarHBondContact O-N 3.08Å; L593-L605 HydrophobicContact CB-CD2 4.23Å; L593-L605 HydrophobicContact CD1-CD2 3.99Å; L593-L605 HydrophobicContact CD2-CD2 4.08Å; L593-L605 HydrophobicContact CG-CD2 4.33Å; L593-L608 HydrophobicContact CD1-CD1 3.94Å; L593-L608 HydrophobicContact CD1-CD2 4.18Å; L593-A623 HydrophobicContact CD1-CB 3.93Å; L593-A623 HydrophobicContact CD2-CB 4.33Å; L593-A623 HydrophobicContact CG-CB 4.35Å
594M90.5Very high90.5Very high9 Ų923.5 Ų23.54%0.04410%0.103CC..Hα-helixtrans-56.4-53.3-179.3-177.9-175.668.200111.7L538 F540 H590 Y591 K596 L597 R598 T758L538-M594 HydrophobicContact CD1-CG 3.6Å; L538-M594 HydrophobicContact CD1-SD 4.07Å; F540-M594 HydrophobicContact CZ-CB 4.47Å; H590-M594 PolarHBondContact O-N 2.99Å; Y591-M594 HydrophobicContact CD2-CE 4.3Å; Y591-M594 PolarHBondContact O-N 3.16Å; M594-K596 VanDerWaalsContact C-N 3.28Å; M594-K596 PolarHBondContact O-N 3.06Å; M594-L597 WeakPolarHBondContact O-CB 3.34Å; M594-L597 PolarHBondContact O-N 2.86Å; M594-R598 HydrophobicContact CG-CG 4.48Å; M594-R598 PolarHBondContact O-N 3.37Å; M594-R598 PolarHBondContact SD-NH2 3.01Å; M594-R598 VanDerWaalsContact SD-NH2 3.41Å; M594-T758 HydrophobicContact CE-CG2 3.91Å; M594-T758 HydrophobicContact SD-CG2 4.33Å
595Q89.4Confident90.7Very high0 Ų017.6 Ų17.60%08%0.077CC..Hα-helixtrans-64.8-32.8-176.9-61.5-66.229.500112.1Y591 L593 L599 L769Y591-Q595 HydrophobicContact CD2-CG 3.98Å; Y591-Q595 HydrophobicContact CE1-CG 4.49Å; Y591-Q595 HydrophobicContact CE2-CG 3.54Å; Y591-Q595 VanDerWaalsContact CE2-NE2 3.3Å; Y591-Q595 WeakPolarHBondContact O-CG 3.48Å; Y591-Q595 PolarHBondContact O-N 3.35Å; L593-Q595 PolarHBondContact O-N 3.01Å; Q595-L599 WeakPolarHBondContact O-CB 3.48Å; Q595-L599 VanDerWaalsContact O-CG 3.28Å; Q595-L599 WeakPolarHBondContact O-CG 3.42Å; Q595-L599 PolarHBondContact O-N 3.32Å; Q595-L769 HydrophobicContact CB-CD1 3.67Å; Q595-L769 HydrophobicContact CG-CD1 4.49Å
596K90.7Very high90.9Very high15 Ų1517.5 Ų17.57%0.0658%0.076CC..Hα-helixtrans-69.4-36.1172.1-71.2179.2-167.6-162.70112.4V558 Q559 R592 L593 M594 L599 R600 L769 D772V558-K596 HydrophobicContact CG1-CB 3.98Å; Q559-K596 WeakPolarHBondContact O-CD 3.32Å; Q559-K596 PolarHBondContact O-NZ 3.22Å; R592-K596 WeakPolarHBondContact O-CB 3.3Å; R592-K596 WeakPolarHBondContact O-CD 3.42Å; R592-K596 WeakPolarHBondContact O-CG 3.44Å; R592-K596 PolarHBondContact O-N 2.88Å; L593-K596 PolarHBondContact O-N 3.3Å; M594-K596 VanDerWaalsContact C-N 3.28Å; M594-K596 PolarHBondContact O-N 3.06Å; K596-L599 CarbonylContact O-C 3.53Å; K596-L599 PolarHBondContact O-N 3.09Å; K596-R600 WeakPolarHBondContact O-CB 3.43Å; K596-R600 VanDerWaalsContact O-CG 3.25Å; K596-R600 WeakPolarHBondContact O-CG 3.17Å; K596-R600 PolarHBondContact O-N 3.25Å; K596-L769 HydrophobicContact CD-CD2 4.3Å; K596-L769 HydrophobicContact CG-CD2 3.85Å; K596-D772 WeakPolarHBondContact CE-OD2 3.49Å; K596-D772 IonicContact NZ-OD2 2.74Å; K596-D772 PolarHBondContact NZ-OD2 3.13Å
597L91.1Very high91Very high0 Ų015.5 Ų15.50%07%0.067CC..Hα-helixtrans-68-43.4177-155.168.8000111.1L538 F540 V558 L593 M594 R600 N601 M602 L605L538-L597 HydrophobicContact CD2-CD2 4.35Å; F540-L597 HydrophobicContact CE1-CD2 3.93Å; V558-L597 HydrophobicContact CG2-CD1 4.03Å; L593-L597 WeakPolarHBondContact O-CB 3.45Å; L593-L597 PolarHBondContact O-N 3.08Å; M594-L597 WeakPolarHBondContact O-CB 3.34Å; M594-L597 PolarHBondContact O-N 2.86Å; L597-R600 PolarHBondContact O-N 3.28Å; L597-R600 VanDerWaalsContact O-N 3.11Å; L597-N601 PolarHBondContact O-N 2.69Å; L597-M602 HydrophobicContact CD1-CB 3.65Å; L597-M602 HydrophobicContact CG-CB 3.88Å; L597-M602 PolarHBondContact O-N 3.12Å; L597-L605 HydrophobicContact CD2-CB 4.23Å
598R89.9Confident91.2Very high27 Ų2712.6 Ų12.610%0.1026%0.055CC..Hα-helixtrans-57-49.2169.1-65-172.7-171-177.80.4111.4M594 R600 N601 P636 P639 E760M594-R598 HydrophobicContact CG-CG 4.48Å; M594-R598 PolarHBondContact O-N 3.37Å; M594-R598 PolarHBondContact SD-NH2 3.01Å; M594-R598 VanDerWaalsContact SD-NH2 3.41Å; R598-R600 PolarHBondContact O-N 3.28Å; R598-N601 WeakPolarHBondContact O-CA 3.45Å; R598-N601 PolarHBondContact O-N 3.25Å; R598-P636 HydrophobicContact CB-CB 4.5Å; R598-P636 HydrophobicContact CG-CB 4.19Å; R598-P639 HydrophobicContact CB-CG 4.32Å; R598-E760 IonicContact CZ-OE1 2.89Å; R598-E760 IonicContact NH1-OE1 3.24Å; R598-E760 PolarHBondContact NH1-OE1 3.15Å; R598-E760 IonicContact NH1-OE2 3.89Å
599L88.7Confident91.5Very high1 Ų114 Ų141%0.0056%0.06CC..Hα-helixtrans-65.6-17.5175.5-75.2170.8000114.7Q595 K596 P639 I666 Y669 L766 L769 L770Q595-L599 WeakPolarHBondContact O-CB 3.48Å; Q595-L599 VanDerWaalsContact O-CG 3.28Å; Q595-L599 WeakPolarHBondContact O-CG 3.42Å; Q595-L599 PolarHBondContact O-N 3.32Å; K596-L599 CarbonylContact O-C 3.53Å; K596-L599 PolarHBondContact O-N 3.09Å; L599-P639 HydrophobicContact CD2-CG 3.96Å; L599-P639 HydrophobicContact CG-CG 3.97Å; L599-I666 HydrophobicContact CD2-CG2 4.24Å; L599-Y669 HydrophobicContact CB-CE1 4.25Å; L599-L766 HydrophobicContact CD1-CD1 4.1Å; L599-L766 HydrophobicContact CD2-CD1 4.31Å; L599-L769 HydrophobicContact CD1-CB 3.66Å; L599-L769 HydrophobicContact CD1-CD1 4.05Å; L599-L769 HydrophobicContact CD1-CG 4.47Å; L599-L770 HydrophobicContact CD2-CD2 4.22Å
600R88.7Confident91.6Very high18 Ų1814.6 Ų14.67%0.0686%0.062CC..Hα-helixtrans-85.7-11.7169.4-72.6-71.8172.7-77.39112.9K596 L597 R598 M602 Y669 S673 Y677K596-R600 WeakPolarHBondContact O-CB 3.43Å; K596-R600 VanDerWaalsContact O-CG 3.25Å; K596-R600 WeakPolarHBondContact O-CG 3.17Å; K596-R600 PolarHBondContact O-N 3.25Å; L597-R600 PolarHBondContact O-N 3.28Å; L597-R600 VanDerWaalsContact O-N 3.11Å; R598-R600 PolarHBondContact O-N 3.28Å; R600-M602 HydrophobicContact CB-CB 4.2Å; R600-M602 HydrophobicContact CB-CG 3.98Å; R600-M602 HydrophobicContact CB-SD 3.79Å; R600-M602 HydrophobicContact CG-SD 4.46Å; R600-Y669 VanDerWaalsContact NH1-CE1 3.31Å; R600-Y669 PolarHBondContact NH1-OH 2.72Å; R600-Y669 PolarHBondContact NH2-OH 3.34Å; R600-S673 WeakPolarHBondContact CA-OG 3.39Å; R600-S673 PolarHBondContact O-OG 3.39Å; R600-Y677 VanDerWaalsContact CD-CE2 3.41Å; R600-Y677 PolarHBondContact NE-OH 3.06Å
601N89.7Confident91.7Very high10 Ų1011.6 Ų11.65%0.0535%0.047CC..THydrogen-bonded Turntrans63.438.7-168.6-158.8107000112L597 R598 Y629 R674 I679L597-N601 PolarHBondContact O-N 2.69Å; R598-N601 WeakPolarHBondContact O-CA 3.45Å; R598-N601 PolarHBondContact O-N 3.25Å; N601-Y629 WeakPolarHBondContact O-CD2 3.46Å; N601-R674 HydrophobicContact CB-CG 3.96Å; N601-R674 PolarHBondContact OD1-NH1 3.11Å; N601-I679 HydrophobicContact CB-CD1 4.42Å; N601-I679 VanDerWaalsContact O-CD1 3.24Å; N601-I679 WeakPolarHBondContact O-CD1 3.19Å
602M91.3Very high91.8Very high1 Ų112.1 Ų12.11%0.0055%0.05CC..  trans-118.8160.4-176.8-73.9175.3168.100111.5N554 A556 L597 R600 V628 P636 Y677 I679N554-M602 WeakPolarHBondContact O-CE 3.48Å; A556-M602 HydrophobicContact CB-CE 3.74Å; A556-M602 HydrophobicContact CB-SD 3.85Å; L597-M602 HydrophobicContact CD1-CB 3.65Å; L597-M602 HydrophobicContact CG-CB 3.88Å; L597-M602 PolarHBondContact O-N 3.12Å; R600-M602 HydrophobicContact CB-CB 4.2Å; R600-M602 HydrophobicContact CB-CG 3.98Å; R600-M602 HydrophobicContact CB-SD 3.79Å; R600-M602 HydrophobicContact CG-SD 4.46Å; M602-V628 WeakPolarHBondContact CB-O 3.48Å; M602-P636 WeakPolarHBondContact O-CG 3.46Å; M602-Y677 HydrophobicContact CE-CD1 3.93Å; M602-Y677 HydrophobicContact CE-CD2 4.33Å; M602-Y677 HydrophobicContact CE-CG 3.78Å; M602-I679 HydrophobicContact CE-CD1 4.13Å; M602-I679 HydrophobicContact CG-CD1 3.81Å
603N92.4Very high91.8Very high0 Ų09.1 Ų9.10%04%0.04CC..  trans-136.8-7.9-175.159.615000114.8L538 L539 V628 Y629 I630 L633 P634L538-N603 WeakPolarHBondContact CA-O 3.49Å; L538-N603 HydrophobicContact CD2-CB 3.99Å; L539-N603 PolarHBondContact N-O 2.89Å; N603-V628 PolarHBondContact N-O 2.89Å; N603-V628 VanDerWaalsContact N-O 3.07Å; N603-Y629 WeakPolarHBondContact OD1-CA 3.34Å; N603-I630 PolarHBondContact ND2-O 2.84Å; N603-I630 PolarHBondContact OD1-N 3.11Å; N603-L633 HydrophobicContact CB-CB 4.39Å; N603-L633 WeakPolarHBondContact ND2-CB 3.23Å; N603-P634 PolarHBondContact ND2-O 2.91Å
604G92.6Very high91.7Very high0 Ų09.8 Ų9.80%04%0.044CC..EExtended strand (participates in β ladder)trans-117.9147.1170.800000112.2L539 G627 V628L539-G604 CarbonylContact O-C 3.59Å; L539-G604 WeakPolarHBondContact O-CA 3.31Å; G604-G627 CarbonylContact O-C 3.6Å; G604-G627 WeakPolarHBondContact O-CA 3.35Å; G604-V628 PolarHBondContact N-O 2.73Å; G604-V628 PolarHBondContact O-N 2.89Å
605L95.2Very high91.4Very high0 Ų09.7 Ų9.70%05%0.045CC..EExtended strand (participates in β ladder)trans-137.9114.4177.6-178.964.7000109.7L539 F540 S541 V558 L593 L597 L608 T626L539-L605 PolarHBondContact O-N 2.76Å; F540-L605 CarbonylContact C-O 3.56Å; F540-L605 WeakPolarHBondContact CA-O 3.24Å; F540-L605 HydrophobicContact CD1-CB 3.75Å; F540-L605 HydrophobicContact CD1-CD2 3.98Å; F540-L605 HydrophobicContact CD1-CG 4.48Å; F540-L605 HydrophobicContact CD2-CD2 4.2Å; F540-L605 HydrophobicContact CE1-CB 4.18Å; F540-L605 HydrophobicContact CE1-CD2 4Å; F540-L605 HydrophobicContact CE2-CD2 4.21Å; F540-L605 HydrophobicContact CG-CB 4.32Å; F540-L605 HydrophobicContact CG-CD2 4.1Å; F540-L605 HydrophobicContact CZ-CD2 4.12Å; S541-L605 PolarHBondContact N-O 2.97Å; V558-L605 HydrophobicContact CB-CD1 3.96Å; V558-L605 HydrophobicContact CG1-CD1 4.45Å; V558-L605 HydrophobicContact CG2-CD1 4.45Å; L593-L605 HydrophobicContact CB-CD2 4.23Å; L593-L605 HydrophobicContact CD1-CD2 3.99Å; L593-L605 HydrophobicContact CD2-CD2 4.08Å; L593-L605 HydrophobicContact CG-CD2 4.33Å; L597-L605 HydrophobicContact CD2-CB 4.23Å; L605-L608 HydrophobicContact CD2-CD1 4.17Å; L605-L608 HydrophobicContact CD2-CD2 4.18Å; L605-T626 WeakPolarHBondContact CA-O 3.2Å
606F94.8Very high91Very high0 Ų011.8 Ų11.80%06%0.055CC..EExtended strand (participates in β ladder)trans-121.3164.5-173.4-70.5-95.8000112.6F313 L539 S541 S543 F545 L549 L608 T626 V628 I630 T783 T784F313-F606 HydrophobicContact CE1-CE1 4.49Å; F313-F606 AromaticContact CZ-CE1 3.94Å; F313-F606 HydrophobicContact CZ-CE1 3.94Å; L539-F606 HydrophobicContact CD2-CZ 3.89Å; L539-F606 HydrophobicContact CG-CZ 4.44Å; S541-F606 CarbonylContact O-C 3.53Å; S541-F606 WeakPolarHBondContact O-CA 3.49Å; S543-F606 WeakPolarHBondContact O-CB 3.35Å; F545-F606 HydrophobicContact CD1-CB 3.73Å; F545-F606 AromaticContact CD1-CD1 4Å; F545-F606 HydrophobicContact CD1-CD1 4Å; F545-F606 AromaticContact CD1-CD2 3.58Å; F545-F606 HydrophobicContact CD1-CD2 3.58Å; F545-F606 HydrophobicContact CD1-CE2 4.18Å; F545-F606 AromaticContact CD1-CG 3.48Å; F545-F606 HydrophobicContact CD1-CG 3.48Å; F545-F606 VanDerWaalsContact CD1-CG 3.48Å; F545-F606 HydrophobicContact CE1-CB 3.5Å; F545-F606 VanDerWaalsContact CE1-CB 3.5Å; F545-F606 AromaticContact CE1-CD2 3.52Å; F545-F606 HydrophobicContact CE1-CD2 3.52Å; F545-F606 HydrophobicContact CE1-CE2 4.4Å; F545-F606 AromaticContact CE1-CG 3.61Å; F545-F606 HydrophobicContact CE1-CG 3.61Å; F545-F606 HydrophobicContact CZ-CB 4.22Å; L549-F606 HydrophobicContact CD2-CE1 4.04Å; L549-F606 HydrophobicContact CD2-CE2 3.91Å; L549-F606 HydrophobicContact CD2-CZ 3.36Å; F606-L608 PolarHBondContact O-N 3.03Å; F606-T626 PolarHBondContact N-O 2.84Å; F606-T626 PolarHBondContact O-N 2.96Å; F606-V628 HydrophobicContact CD2-CG2 3.7Å; F606-V628 HydrophobicContact CE2-CG2 3.78Å; F606-I630 HydrophobicContact CE2-CD1 3.97Å; F606-I630 HydrophobicContact CE2-CG1 4.48Å; F606-I630 HydrophobicContact CZ-CD1 4.22Å; F606-T783 PolarHBondContact O-OG1 2.8Å; F606-T784 HydrophobicContact CB-CG2 4.31Å
607G93.4Very high90.7Very high5 Ų516.6 Ų16.65%0.0527%0.074CC..EExtended strand (participates in β ladder)trans56.335.3-177.100000111.7S541 S543 T783S541-G607 PolarHBondContact O-N 3.01Å; S543-G607 PolarHBondContact O-N 2.83Å; G607-T783 WeakPolarHBondContact O-CB 3.49Å; G607-T783 PolarHBondContact O-OG1 3.09Å
608L95.4Very high90.4Very high0 Ų017 Ų170%08%0.076CC..EExtended strand (participates in β ladder)trans-72.5125.7-176.2-178.458.1000110.7L316 F540 S541 L593 L605 F606 Y610 A623 T624L316-L608 HydrophobicContact CD2-CD2 3.73Å; F540-L608 HydrophobicContact CB-CD2 4.45Å; F540-L608 HydrophobicContact CD2-CD2 4.28Å; S541-L608 VanDerWaalsContact O-CB 3.25Å; S541-L608 WeakPolarHBondContact O-CB 3.31Å; S541-L608 PolarHBondContact O-N 2.96Å; L593-L608 HydrophobicContact CD1-CD1 3.94Å; L593-L608 HydrophobicContact CD1-CD2 4.18Å; L605-L608 HydrophobicContact CD2-CD1 4.17Å; L605-L608 HydrophobicContact CD2-CD2 4.18Å; F606-L608 PolarHBondContact O-N 3.03Å; L608-Y610 HydrophobicContact CD2-CE2 3.99Å; L608-Y610 HydrophobicContact CG-CE2 3.98Å; L608-A623 HydrophobicContact CD1-CB 4.3Å; L608-T624 WeakPolarHBondContact CA-O 3.27Å
609R94.2Very high90.4Very high52 Ų5215.7 Ų15.720%0.1967%0.071CC..EExtended strand (participates in β ladder)trans-124.2145.6175.9-60-177.4-178.6-152.5-0.8110.4A623 T624 D1030R609-A623 CarbonylContact O-C 3.58Å; R609-A623 VanDerWaalsContact O-CA 3.3Å; R609-A623 WeakPolarHBondContact O-CA 3.35Å; R609-T624 PolarHBondContact N-O 2.85Å; R609-T624 PolarHBondContact O-N 3.28Å; R609-D1030 WeakPolarHBondContact CD-OD1 3.4Å; R609-D1030 IonicContact CZ-OD1 2.69Å; R609-D1030 IonicContact NE-OD1 3.84Å; R609-D1030 IonicContact NH1-OD1 3.59Å; R609-D1030 PolarHBondContact NH1-OD1 3.24Å; R609-D1030 IonicContact NH1-OD2 3.59Å; R609-D1030 PolarHBondContact NH1-OD2 3Å
610Y93.3Very high90.4Very high14 Ų1415.7 Ų15.76%0.0557%0.07CC..EExtended strand (participates in β ladder)trans-114.1144173.9-67-94.7000109.5L316 Y378 L589 L608 I622 A623L316-Y610 HydrophobicContact CD2-CE2 4.12Å; L316-Y610 WeakPolarHBondContact CD2-OH 3.42Å; Y378-Y610 HydrophobicContact CD2-CD2 4.07Å; Y378-Y610 HydrophobicContact CD2-CE2 4.47Å; Y378-Y610 HydrophobicContact CE2-CD2 4.01Å; Y378-Y610 HydrophobicContact CG-CD2 4.39Å; Y378-Y610 PolarHBondContact OH-N 2.89Å; L589-Y610 HydrophobicContact CD1-CD1 4.21Å; L589-Y610 HydrophobicContact CD1-CE1 4.43Å; L608-Y610 HydrophobicContact CD2-CE2 3.99Å; L608-Y610 HydrophobicContact CG-CE2 3.98Å; Y610-I622 WeakPolarHBondContact CA-O 3.29Å; Y610-A623 HydrophobicContact CD1-CB 3.77Å; Y610-A623 HydrophobicContact CE1-CB 3.79Å; Y610-A623 HydrophobicContact CG-CB 4.49Å
611R92.5Very high90.6Very high19 Ų1914.8 Ų14.87%0.0727%0.067CC..EExtended strand (participates in β ladder)trans-136.5141.8164.2-54.3-70-176.7-165.2-9.7109.1E365 A621 I622 D1030 Y1031 R1032E365-R611 IonicContact OE1-CZ 3.26Å; E365-R611 IonicContact OE1-NH1 3.54Å; E365-R611 PolarHBondContact OE1-NH1 3.45Å; E365-R611 IonicContact OE2-CZ 3.96Å; E365-R611 IonicContact OE2-NH1 3.92Å; E365-R611 PolarHBondContact OE2-NH1 3.01Å; R611-A621 VanDerWaalsContact O-CA 3.3Å; R611-A621 WeakPolarHBondContact O-CA 3.43Å; R611-I622 HydrophobicContact CB-CD1 4.39Å; R611-I622 HydrophobicContact CB-CG1 3.89Å; R611-I622 HydrophobicContact CG-CD1 4.36Å; R611-I622 HydrophobicContact CG-CG1 4.27Å; R611-I622 PolarHBondContact N-O 2.88Å; R611-I622 PolarHBondContact O-N 2.88Å; R611-D1030 IonicContact CZ-OD1 3.97Å; R611-D1030 IonicContact CZ-OD2 2.68Å; R611-D1030 IonicContact NH2-OD1 3.14Å; R611-D1030 PolarHBondContact NH2-OD1 2.86Å; R611-D1030 VanDerWaalsContact NH2-OD1 3.1Å; R611-D1030 IonicContact NH2-OD2 2.69Å; R611-D1030 PolarHBondContact NH2-OD2 2.99Å; R611-Y1031 VanDerWaalsContact CG-O 3.26Å; R611-Y1031 WeakPolarHBondContact CG-O 3.41Å; R611-Y1031 PolarHBondContact NE-O 2.95Å; R611-Y1031 VanDerWaalsContact NE-O 3.14Å; R611-R1032 VanDerWaalsContact CZ-NE 3.27Å
612I92.7Very high90.7Very high14 Ų1414.4 Ų14.47%0.0727%0.065CC..EExtended strand (participates in β ladder)trans-119.9143.4170.2-59.3179.2000107K320 T367 I374 L582 V614 I619 A621K320-I612 HydrophobicContact CD-CD1 4.19Å; T367-I612 PolarHBondContact OG1-O 3.3Å; I374-I612 HydrophobicContact CD1-CG2 4.31Å; L582-I612 HydrophobicContact CD2-CD1 3.74Å; I612-V614 HydrophobicContact CG2-CG2 4.35Å; I612-I619 HydrophobicContact CG2-CD1 3.86Å; I612-I619 HydrophobicContact CG2-CG1 4.03Å; I612-A621 HydrophobicContact CG1-CB 4.07Å
613A89.8Confident90.9Very high6 Ų614.3 Ų14.35%0.057%0.065CC..EExtended strand (participates in β ladder)trans-131.3139.6167.700000108A620 L1033 F1035A613-A620 PolarHBondContact N-O 2.83Å; A613-A620 PolarHBondContact O-N 3.1Å; A613-L1033 HydrophobicContact CB-CB 4.3Å; A613-L1033 HydrophobicContact CB-CD2 4.03Å; A613-L1033 HydrophobicContact CB-CG 4.07Å; A613-F1035 HydrophobicContact CB-CD2 3.86Å; A613-F1035 HydrophobicContact CB-CE2 3.78Å
614V89.8Confident91Very high15 Ų1514.4 Ų14.49%0.0917%0.065CC..EExtended strand (participates in β ladder)trans-119.6131.3176.4-177.70000107.9T367 Y369 I374 K566 L578 I612 I619T367-V614 HydrophobicContact CG2-CG2 4.26Å; Y369-V614 HydrophobicContact CD1-CG1 4.11Å; Y369-V614 HydrophobicContact CD2-CG1 4.19Å; Y369-V614 HydrophobicContact CG-CB 4.27Å; Y369-V614 HydrophobicContact CG-CG1 3.72Å; I374-V614 HydrophobicContact CD1-CG2 3.68Å; K566-V614 HydrophobicContact CD-CG1 4.27Å; L578-V614 HydrophobicContact CD1-CG1 4.42Å; L578-V614 HydrophobicContact CD2-CG1 4.27Å; L578-V614 HydrophobicContact CD2-CG2 4.3Å; I612-V614 HydrophobicContact CG2-CG2 4.35Å; V614-I619 HydrophobicContact CG2-CD1 4.02Å; V614-I619 HydrophobicContact CG2-CG1 4.13Å
615G83.6Confident91.1Very high6 Ų614.4 Ų14.46%0.0627%0.065CC..  trans-121.8-176.1168.500000110.2M618G615-M618 PolarHBondContact N-O 2.94Å
616E82.3Confident91.1Very high45 Ų4514.4 Ų14.421%0.217%0.065CC..SBendtrans-57.6-55.6-172.6-167.8171.3141.400112.9Y369 K566 D568Y369-E616 WeakPolarHBondContact OH-CA 3.4Å; K566-E616 PolarHBondContact NZ-O 2.82Å; D568-E616 HydrophobicContact CB-CG 4.42Å
617Y83.1Confident91Very high116 Ų11614.4 Ų14.446%0.4557%0.065SC..SBendtrans-101.52.2-175.6-58.2-78.6000114.4S565 K566 D568S565-Y617 WeakPolarHBondContact CA-O 3.34Å; K566-Y617 PolarHBondContact N-O 3.4Å; K566-Y617 CarbonylContact O-C 3.45Å; K566-Y617 WeakPolarHBondContact O-CA 3.47Å; K566-Y617 VanDerWaalsContact O-O 3.05Å; D568-Y617 HydrophobicContact CB-CD1 4.45Å; D568-Y617 HydrophobicContact CB-CE1 3.81Å
618M85Confident91Very high8 Ų814.2 Ų14.24%0.0396%0.063CC..EExtended strand (participates in β ladder)trans-159147.9-169.960.4-165.6-53.200114.8C563 R564 G615 L842 P845 F1035C563-M618 WeakPolarHBondContact SG-CE 3.2Å; R564-M618 VanDerWaalsContact O-CA 3.3Å; R564-M618 WeakPolarHBondContact O-CA 3.29Å; G615-M618 PolarHBondContact N-O 2.94Å; M618-L842 HydrophobicContact CE-CB 4.11Å; M618-L842 HydrophobicContact CE-CD1 3.46Å; M618-L842 VanDerWaalsContact CE-CD1 3.46Å; M618-L842 HydrophobicContact CE-CG 4.46Å; M618-L842 HydrophobicContact SD-CD1 4.35Å; M618-P845 HydrophobicContact CE-CG 4.28Å; M618-F1035 HydrophobicContact CE-CE1 4.15Å; M618-F1035 HydrophobicContact CE-CZ 4.28Å; M618-F1035 HydrophobicContact CG-CE1 3.68Å; M618-F1035 HydrophobicContact CG-CZ 3.63Å; M618-F1035 HydrophobicContact SD-CE1 3.62Å; M618-F1035 HydrophobicContact SD-CZ 4.08Å
619I89.5Confident90.8Very high0 Ų015 Ų150%07%0.066CC..EExtended strand (participates in β ladder)trans-116.1132.1169.1176.9167.3000109.2I374 C563 R564 L578 I581 L582 I585 I612 V614I374-I619 HydrophobicContact CD1-CD1 4.23Å; C563-I619 WeakPolarHBondContact CA-O 3.21Å; R564-I619 HydrophobicContact CB-CG2 4.08Å; R564-I619 PolarHBondContact N-O 2.79Å; R564-I619 PolarHBondContact O-N 3.35Å; L578-I619 HydrophobicContact CD2-CD1 3.88Å; I581-I619 HydrophobicContact CG2-CG2 3.98Å; L582-I619 HydrophobicContact CD2-CD1 4.35Å; I585-I619 HydrophobicContact CD1-CB 4.46Å; I585-I619 HydrophobicContact CD1-CD1 3.62Å; I585-I619 HydrophobicContact CD1-CG1 3.78Å; I585-I619 HydrophobicContact CD1-CG2 3.85Å; I612-I619 HydrophobicContact CG2-CD1 3.86Å; I612-I619 HydrophobicContact CG2-CG1 4.03Å; V614-I619 HydrophobicContact CG2-CD1 4.02Å; V614-I619 HydrophobicContact CG2-CG1 4.13Å
620A89.5Confident90.7Very high0 Ų012.6 Ų12.60%06%0.057CC..EExtended strand (participates in β ladder)trans-127.2136.4-178.700000110.4V562 A613 L1003 L1033 F1035 I1041V562-A620 WeakPolarHBondContact O-CA 3.32Å; A613-A620 PolarHBondContact N-O 2.83Å; A613-A620 PolarHBondContact O-N 3.1Å; A620-L1003 HydrophobicContact CB-CD2 4Å; A620-L1033 HydrophobicContact CB-CD2 3.79Å; A620-F1035 HydrophobicContact CB-CE2 4.12Å; A620-F1035 HydrophobicContact CB-CZ 3.81Å; A620-I1041 HydrophobicContact CB-CD1 3.9Å
621A91.9Very high90.4Very high0 Ų012.5 Ų12.50%06%0.06CC..EExtended strand (participates in β ladder)trans-138.3145.3-178.500000111.7R561 V562 I585 L589 R611 I612R561-A621 CarbonylContact C-O 3.5Å; R561-A621 WeakPolarHBondContact CA-O 3.01Å; V562-A621 PolarHBondContact N-O 3.42Å; V562-A621 PolarHBondContact O-N 2.99Å; I585-A621 HydrophobicContact CG2-CB 3.63Å; L589-A621 HydrophobicContact CD1-CB 3.95Å; R611-A621 VanDerWaalsContact O-CA 3.3Å; R611-A621 WeakPolarHBondContact O-CA 3.43Å; I612-A621 HydrophobicContact CG1-CB 4.07Å
622I93Very high90.1Very high1 Ų111.8 Ų11.81%0.0056%0.058CC..EExtended strand (participates in β ladder)trans-127.7149173.963.3172.3000110.3R561 Y610 R611 L1007 Y1031 L1033R561-I622 HydrophobicContact CB-CG2 4.35Å; Y610-I622 WeakPolarHBondContact CA-O 3.29Å; R611-I622 HydrophobicContact CB-CD1 4.39Å; R611-I622 HydrophobicContact CB-CG1 3.89Å; R611-I622 HydrophobicContact CG-CD1 4.36Å; R611-I622 HydrophobicContact CG-CG1 4.27Å; R611-I622 PolarHBondContact N-O 2.88Å; R611-I622 PolarHBondContact O-N 2.88Å; I622-L1007 HydrophobicContact CG2-CD1 3.82Å; I622-Y1031 HydrophobicContact CD1-CG 4.44Å; I622-L1033 HydrophobicContact CG2-CD2 4.38Å
623A94.7Very high90.1Very high0 Ų011.1 Ų11.10%06%0.055CC..EExtended strand (participates in β ladder)trans-131.1126.3166.300000109Q559 A560 L589 L593 L608 R609 Y610Q559-A623 CarbonylContact C-O 3.45Å; Q559-A623 WeakPolarHBondContact CA-O 3.33Å; A560-A623 HydrophobicContact CB-CB 4.39Å; A560-A623 PolarHBondContact N-O 2.89Å; A560-A623 PolarHBondContact O-N 2.91Å; A560-A623 VanDerWaalsContact O-N 3.07Å; L589-A623 HydrophobicContact CD2-CB 4.09Å; L593-A623 HydrophobicContact CD1-CB 3.93Å; L593-A623 HydrophobicContact CD2-CB 4.33Å; L593-A623 HydrophobicContact CG-CB 4.35Å; L608-A623 HydrophobicContact CD1-CB 4.3Å; R609-A623 CarbonylContact O-C 3.58Å; R609-A623 VanDerWaalsContact O-CA 3.3Å; R609-A623 WeakPolarHBondContact O-CA 3.35Å; Y610-A623 HydrophobicContact CD1-CB 3.77Å; Y610-A623 HydrophobicContact CE1-CB 3.79Å; Y610-A623 HydrophobicContact CG-CB 4.49Å
624T94.9Very high90Very high1 Ų112.2 Ų12.21%0.0066%0.061CC..EExtended strand (participates in β ladder)trans-131127.3-171.648.30000110.6Q559 L608 R609 Y1031Q559-T624 HydrophobicContact CB-CG2 4.1Å; Q559-T624 HydrophobicContact CG-CG2 3.69Å; L608-T624 WeakPolarHBondContact CA-O 3.27Å; R609-T624 PolarHBondContact N-O 2.85Å; R609-T624 PolarHBondContact O-N 3.28Å; T624-Y1031 HydrophobicContact CG2-CD2 3.68Å; T624-Y1031 HydrophobicContact CG2-CE2 4.1Å; T624-Y1031 HydrophobicContact CG2-CG 4.28Å
625G94.7Very high89.9Confident0 Ų014 Ų140%07%0.074CC..EExtended strand (participates in β ladder)trans-153.4175.3177.800000112.6V558V558-G625 PolarHBondContact N-O 2.99Å; V558-G625 PolarHBondContact O-N 2.83Å
626T94.8Very high90.1Very high0 Ų014 Ų140%07%0.073CC..EExtended strand (participates in β ladder)trans-101.8108.3-179.2-50.10000110.3F545 P555 A556 L605 F606 T782 T783F545-T626 HydrophobicContact CZ-CG2 3.78Å; P555-T626 HydrophobicContact CB-CG2 3.58Å; A556-T626 CarbonylContact O-C 3.57Å; A556-T626 WeakPolarHBondContact O-CA 3.49Å; L605-T626 WeakPolarHBondContact CA-O 3.2Å; F606-T626 PolarHBondContact N-O 2.84Å; F606-T626 PolarHBondContact O-N 2.96Å; T626-T782 HydrophobicContact CG2-CG2 3.74Å; T626-T782 WeakPolarHBondContact OG1-CA 3.22Å; T626-T783 PolarHBondContact N-OG1 2.91Å; T626-T783 PolarHBondContact OG1-N 3.28Å; T626-T783 PolarHBondContact OG1-OG1 2.86Å
627G93.8Very high90.2Very high0 Ų015 Ų150%08%0.084CC..EExtended strand (participates in β ladder)trans-75138.217500000112.2P555 A556 G604P555-G627 WeakPolarHBondContact CA-O 3.38Å; A556-G627 PolarHBondContact N-O 2.98Å; A556-G627 PolarHBondContact O-N 2.88Å; G604-G627 CarbonylContact O-C 3.6Å; G604-G627 WeakPolarHBondContact O-CA 3.35Å
628V92.3Very high90.1Very high1 Ų111.3 Ų11.31%0.0067%0.074CC..EExtended strand (participates in β ladder)trans-144.3161.9-179.9-70.40000111.6F545 I551 P555 M602 N603 G604 F606 I630F545-V628 HydrophobicContact CE1-CB 4.42Å; F545-V628 HydrophobicContact CE1-CG1 3.53Å; F545-V628 HydrophobicContact CE1-CG2 4.02Å; F545-V628 HydrophobicContact CZ-CG1 3.76Å; I551-V628 HydrophobicContact CD1-CB 4.47Å; I551-V628 HydrophobicContact CD1-CG1 4.33Å; I551-V628 HydrophobicContact CD1-CG2 4.3Å; I551-V628 HydrophobicContact CG1-CB 4.33Å; I551-V628 HydrophobicContact CG1-CG2 4.29Å; I551-V628 HydrophobicContact CG2-CB 3.88Å; I551-V628 HydrophobicContact CG2-CG1 3.93Å; P555-V628 HydrophobicContact CB-CG1 3.98Å; M602-V628 WeakPolarHBondContact CB-O 3.48Å; N603-V628 PolarHBondContact N-O 2.89Å; N603-V628 VanDerWaalsContact N-O 3.07Å; G604-V628 PolarHBondContact N-O 2.73Å; G604-V628 PolarHBondContact O-N 2.89Å; F606-V628 HydrophobicContact CD2-CG2 3.7Å; F606-V628 HydrophobicContact CE2-CG2 3.78Å; V628-I630 HydrophobicContact CG2-CG1 4.32Å
629Y92.5Very high89.8Confident18 Ų1811.3 Ų11.37%0.0718%0.075CC..EExtended strand (participates in β ladder)trans-102.2114.8166.5-170-80.9000109.8I551 I552 N601 N603 S635 I679I551-Y629 CarbonylContact C-O 3.56Å; I551-Y629 WeakPolarHBondContact CA-O 3.12Å; I552-Y629 HydrophobicContact CB-CD1 4.08Å; I552-Y629 HydrophobicContact CD1-CD1 4.15Å; I552-Y629 HydrophobicContact CD1-CE1 4.25Å; I552-Y629 HydrophobicContact CG1-CD1 4.38Å; I552-Y629 PolarHBondContact N-O 3.11Å; N601-Y629 WeakPolarHBondContact O-CD2 3.46Å; N603-Y629 WeakPolarHBondContact OD1-CA 3.34Å; Y629-S635 PolarHBondContact OH-OG 2.86Å; Y629-S635 VanDerWaalsContact OH-OG 3.13Å; Y629-I679 HydrophobicContact CD2-CG2 3.69Å; Y629-I679 HydrophobicContact CE2-CG2 4.16Å; Y629-I679 HydrophobicContact CG-CG2 3.95Å
630I90.5Very high89Confident1 Ų118.3 Ų18.31%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-89.7123.4174.1-60162000108.3L539 L549 N603 F606 V628 A632 L633L539-I630 HydrophobicContact CB-CD1 4.23Å; L539-I630 HydrophobicContact CD2-CD1 4Å; L549-I630 HydrophobicContact CD1-CG2 3.86Å; L549-I630 HydrophobicContact CD2-CD1 4.38Å; L549-I630 HydrophobicContact CD2-CG1 4.27Å; N603-I630 PolarHBondContact ND2-O 2.84Å; N603-I630 PolarHBondContact OD1-N 3.11Å; F606-I630 HydrophobicContact CE2-CD1 3.97Å; F606-I630 HydrophobicContact CE2-CG1 4.48Å; F606-I630 HydrophobicContact CZ-CD1 4.22Å; V628-I630 HydrophobicContact CG2-CG1 4.32Å; I630-A632 HydrophobicContact CG2-CB 4.1Å; I630-A632 PolarHBondContact O-N 2.88Å; I630-A632 VanDerWaalsContact O-N 3.17Å; I630-L633 HydrophobicContact CB-CB 4.37Å; I630-L633 HydrophobicContact CB-CD1 4.26Å; I630-L633 HydrophobicContact CB-CG 3.98Å; I630-L633 HydrophobicContact CD1-CD1 3.63Å; I630-L633 HydrophobicContact CD1-CG 4.17Å; I630-L633 HydrophobicContact CG2-CG 3.97Å; I630-L633 PolarHBondContact O-N 2.82Å
631G87.2Confident87.9Confident12 Ų1219 Ų1912%0.12411%0.105CC..THydrogen-bonded Turntrans-66.6-15.6-177.400000115.5I529 V550I529-G631 WeakPolarHBondContact CG1-O 3.43Å; V550-G631 PolarHBondContact O-N 2.85Å
632A87.4Confident86.5Confident3 Ų324.5 Ų24.53%0.02513%0.133CC..THydrogen-bonded Turntrans-85.5-22.7178.600000114.2C502 C505 C527 A528 I529 I630C502-A632 HydrophobicContact CB-CB 4.24Å; C505-A632 HydrophobicContact CB-CB 3.94Å; C527-A632 WeakPolarHBondContact CA-O 3.24Å; C527-A632 PolarHBondContact SG-O 2.96Å; A528-A632 PolarHBondContact N-O 2.74Å; I529-A632 HydrophobicContact CD1-CB 3.98Å; I630-A632 HydrophobicContact CG2-CB 4.1Å; I630-A632 PolarHBondContact O-N 2.88Å; I630-A632 VanDerWaalsContact O-N 3.17Å
633L90.8Very high84.7Confident0 Ų027.8 Ų27.80%015%0.154CC..SBendtrans-91.8160.7-177.9-60.7-163.4000110.6C505 V535 P536 L539 N603 I630C505-L633 HydrophobicContact CB-CD2 3.81Å; V535-L633 HydrophobicContact CB-CD2 3.73Å; V535-L633 HydrophobicContact CG1-CD2 4.37Å; V535-L633 HydrophobicContact CG2-CD2 3.96Å; P536-L633 HydrophobicContact CG-CD2 4.46Å; P536-L633 WeakPolarHBondContact O-CD2 3.24Å; L539-L633 HydrophobicContact CB-CD1 3.85Å; N603-L633 HydrophobicContact CB-CB 4.39Å; N603-L633 WeakPolarHBondContact ND2-CB 3.23Å; I630-L633 HydrophobicContact CB-CB 4.37Å; I630-L633 HydrophobicContact CB-CD1 4.26Å; I630-L633 HydrophobicContact CB-CG 3.98Å; I630-L633 HydrophobicContact CD1-CD1 3.63Å; I630-L633 HydrophobicContact CD1-CG 4.17Å; I630-L633 HydrophobicContact CG2-CG 3.97Å; I630-L633 PolarHBondContact O-N 2.82Å
634P89.1Confident82.4Confident29 Ų2932.9 Ų32.919%0.18819%0.19CC..PPolyproline II helixtrans-67.2158.8176.532.2-40.5000112.2S525 D537 N603S525-P634 VanDerWaalsContact OG-CD 3.28Å; S525-P634 WeakPolarHBondContact OG-CD 3.44Å; S525-P634 VanDerWaalsContact OG-CG 3.23Å; S525-P634 WeakPolarHBondContact OG-CG 3.09Å; D537-P634 HydrophobicContact CB-CG 4.1Å; N603-P634 PolarHBondContact ND2-O 2.91Å
635S87Confident79.7Confident52 Ų5240.4 Ų40.436%0.36423%0.229SC..PPolyproline II helixtrans-62.3134162.5-56.50000109.5Y629Y629-S635 PolarHBondContact OH-OG 2.86Å; Y629-S635 VanDerWaalsContact OH-OG 3.13Å
636P87.5Confident76.7Confident6 Ų646.9 Ų46.94%0.03926%0.26CS..PPolyproline II helixtrans-64.5141.6176.129.9-37.3000110.4R598 M602R598-P636 HydrophobicContact CB-CB 4.5Å; R598-P636 HydrophobicContact CG-CB 4.19Å; M602-P636 WeakPolarHBondContact O-CG 3.46Å
637P83.9Confident73.8Confident68 Ų6852 Ų5244%0.44229%0.29SS..PPolyproline II helixtrans-65.4151.1167.929.1-34.1000110.3
638P81.5Confident70.8Confident38 Ų3856.2 Ų56.225%0.24732%0.32CS..PPolyproline II helixtrans-63.7151.216832.7-37.9000109.6R640 L670 Y684P638-R640 PolarHBondContact O-N 2.92Å; P638-L670 HydrophobicContact CB-CD1 4.09Å; P638-Y684 WeakPolarHBondContact CD-OH 3.4Å; P638-Y684 VanDerWaalsContact CG-OH 3.24Å; P638-Y684 WeakPolarHBondContact CG-OH 3.28Å
639P79.5Confident67.9Low7 Ų762.8 Ų62.85%0.04537%0.366CS..PPolyproline II helixtrans-58.2130.9165.9-17.730.3000109.9R598 L599 E760 P761 L766R598-P639 HydrophobicContact CB-CG 4.32Å; L599-P639 HydrophobicContact CD2-CG 3.96Å; L599-P639 HydrophobicContact CG-CG 3.97Å; P639-E760 WeakPolarHBondContact CA-OE2 3.21Å; P639-P761 HydrophobicContact CB-CG 3.77Å; P639-L766 HydrophobicContact CB-CD1 4.26Å; P639-L766 HydrophobicContact CG-CD1 4.42Å
640R71.9Confident65.4Low147 Ų14767 Ų6756%0.55540%0.398SS*.PPolyproline II helixtrans-90.3123.9-179.1-64.2177.6171.6-173.8-3.4108.8P638 I642 E760P638-R640 PolarHBondContact O-N 2.92Å; R640-I642 PolarHBondContact O-N 3.37Å; R640-E760 HydrophobicContact CB-CG 4.05Å; R640-E760 PolarHBondContact N-OE2 2.93Å
641I67.3Low62.7Low15 Ų1569.7 Ų69.78%0.07742%0.42CS..  trans-78.4113.1168.4-43.3171.3000107.1P643 Y659 L662 R663 I666 I763 L766I641-P643 WeakPolarHBondContact O-CD 3.28Å; I641-Y659 HydrophobicContact CB-CD2 4.24Å; I641-Y659 HydrophobicContact CB-CE2 3.52Å; I641-Y659 HydrophobicContact CD1-CD2 4.46Å; I641-Y659 HydrophobicContact CD1-CE2 4.24Å; I641-Y659 HydrophobicContact CG1-CE2 4.5Å; I641-Y659 HydrophobicContact CG2-CD2 3.7Å; I641-Y659 HydrophobicContact CG2-CE2 3.42Å; I641-Y659 VanDerWaalsContact CG2-CE2 3.42Å; I641-Y659 PolarHBondContact O-OH 2.97Å; I641-L662 HydrophobicContact CD1-CB 4.23Å; I641-L662 HydrophobicContact CD1-CD2 4.04Å; I641-L662 HydrophobicContact CD1-CG 3.9Å; I641-R663 HydrophobicContact CD1-CB 4.11Å; I641-I666 HydrophobicContact CD1-CD1 3.78Å; I641-I666 HydrophobicContact CG1-CD1 3.91Å; I641-I763 HydrophobicContact CG2-CD1 4.43Å; I641-I763 HydrophobicContact CG2-CG1 3.92Å; I641-L766 HydrophobicContact CG1-CD2 4.02Å
642I63Low60.5Low116 Ų11674.6 Ų74.660%0.59544%0.442SS*.  trans-85.1121.5171.7-58.9179000107.8R640 E760R640-I642 PolarHBondContact O-N 3.37Å; I642-E760 HydrophobicContact CD1-CB 3.97Å; I642-E760 HydrophobicContact CD1-CG 4.47Å; I642-E760 HydrophobicContact CG1-CB 4.27Å
643P53.8Low58.6Low70 Ų7079.8 Ų79.846%0.45548%0.476SS..  trans-65.9137.2169.6-16.731000110.1I641 L645 Y659I641-P643 WeakPolarHBondContact O-CD 3.28Å; P643-L645 WeakPolarHBondContact O-CD1 3.42Å; P643-L645 PolarHBondContact O-N 3.01Å; P643-Y659 HydrophobicContact CG-CE2 3.97Å
644S47.9Very low56.4Low106 Ų10686.8 Ų86.874%0.74151%0.509SS*.  trans-71.696.2176.333.90000111.2Q646S644-Q646 VanDerWaalsContact C-N 3.32Å; S644-Q646 PolarHBondContact O-N 3.15Å
645L36.6Very low54.5Low160 Ų16091.4 Ų91.484%0.83853%0.532SS*.  trans-71.178.6176.7-88.788000112.3P643P643-L645 WeakPolarHBondContact O-CD1 3.42Å; P643-L645 PolarHBondContact O-N 3.01Å
646Q33.2Very low53Low136 Ų13698.6 Ų98.664%0.63655%0.551SS**  trans-157.548.6155-127.7176.687.900113.7S644 S737S644-Q646 VanDerWaalsContact C-N 3.32Å; S644-Q646 PolarHBondContact O-N 3.15Å; Q646-S737 PolarHBondContact OE1-OG 3.2Å
647V33.2Very low51.7Low107 Ų107100.5 Ų100.565%0.64856%0.564SS**  trans-125.5130.6172.7-166.70000110.5A651V647-A651 HydrophobicContact CG1-CB 3.41Å; V647-A651 VanDerWaalsContact CG1-CB 3.41Å
648S31Very low50.8Low88 Ų8899 Ų9962%0.61556%0.561SS**  trans-68.6160.618052.40000112.7S650S648-S650 PolarHBondContact O-N 2.84Å
649S31.3Very low50.1Low139 Ų139100.2 Ų100.297%0.97256%0.561SS**THydrogen-bonded Turntrans-68.528.9-166-410000116.9
650S39.2Very low49.7Very low107 Ų107104.3 Ų104.375%0.74858%0.579SS**THydrogen-bonded Turntrans-139.317.2-175.261.90000113.9S648S648-S650 PolarHBondContact O-N 2.84Å
651A33.4Very low49.8Very low57 Ų57105.1 Ų105.147%0.47158%0.583SS.*  trans-87.6126.7-175.800000114.5V647V647-A651 HydrophobicContact CG1-CB 3.41Å; V647-A651 VanDerWaalsContact CG1-CB 3.41Å
652I42.5Very low50.1Low115 Ų115105.2 Ų105.259%0.5958%0.583SS**  trans-0.1128.4159.4-42.2-179.2000116.9E654I652-E654 HydrophobicContact CG2-CB 4.2Å; I652-E654 HydrophobicContact CG2-CG 4Å; I652-E654 PolarHBondContact O-N 3.28Å
653P46.3Very low50.9Low112 Ų112105.9 Ų105.973%0.72758%0.578SS**THydrogen-bonded Turntrans-61.2-13.6178-2635.5000117.5
654E44.8Very low52.3Low148 Ų148109 Ų10969%0.69258%0.581SS**Hα-helixtrans-73.8-38.9-167.1-62.8-164.9152.500113.8I652 R656 C657 G658I652-E654 HydrophobicContact CG2-CB 4.2Å; I652-E654 HydrophobicContact CG2-CG 4Å; I652-E654 PolarHBondContact O-N 3.28Å; E654-R656 VanDerWaalsContact C-N 3.34Å; E654-R656 PolarHBondContact O-N 2.97Å; E654-C657 WeakPolarHBondContact O-CA 3.3Å; E654-C657 WeakPolarHBondContact O-CB 3.14Å; E654-C657 PolarHBondContact O-N 2.88Å; E654-G658 PolarHBondContact O-N 2.95Å
655D49.9Very low54Low125 Ų125110 Ų11067%0.66857%0.568SS**Hα-helixtrans-64.3-36.8-178.8-72-40.8000112.7C657 G658 Y659D655-C657 VanDerWaalsContact C-N 3.25Å; D655-C657 PolarHBondContact O-N 2.78Å; D655-G658 PolarHBondContact O-N 2.99Å; D655-G658 VanDerWaalsContact O-N 3.12Å; D655-Y659 PolarHBondContact O-N 2.68Å
656R54.9Low56.2Low203 Ų203102.7 Ų102.777%0.76653%0.53SS*.Hα-helixtrans-59.9-38.5171.3-77.6-169.7173.5-139.3-0.1111.6E654 G658 Y659 E660E654-R656 VanDerWaalsContact C-N 3.34Å; E654-R656 PolarHBondContact O-N 2.97Å; R656-G658 VanDerWaalsContact C-N 3.33Å; R656-Y659 PolarHBondContact O-N 3.03Å; R656-E660 PolarHBondContact O-N 3.01Å
657C60.3Low58.7Low46 Ų4699.9 Ų99.931%0.31152%0.519SS..Hα-helixtrans-66-37.6176.3-1560000111.3E654 D655 R661E654-C657 WeakPolarHBondContact O-CA 3.3Å; E654-C657 WeakPolarHBondContact O-CB 3.14Å; E654-C657 PolarHBondContact O-N 2.88Å; D655-C657 VanDerWaalsContact C-N 3.25Å; D655-C657 PolarHBondContact O-N 2.78Å; C657-R661 WeakPolarHBondContact O-CB 3.39Å; C657-R661 WeakPolarHBondContact O-CD 3.32Å; C657-R661 WeakPolarHBondContact O-CG 3.36Å; C657-R661 PolarHBondContact O-N 2.96Å; C657-R661 PolarHBondContact SG-NE 3.41Å; C657-R661 PolarHBondContact SG-NH2 3.46Å
658G65.4Low61.3Low37 Ų3799.7 Ų99.738%0.38152%0.515SS..Hα-helixtrans-59.2-52.9172.300000112.9E654 D655 R656 E660 R661 L662E654-G658 PolarHBondContact O-N 2.95Å; D655-G658 PolarHBondContact O-N 2.99Å; D655-G658 VanDerWaalsContact O-N 3.12Å; R656-G658 VanDerWaalsContact C-N 3.33Å; G658-E660 PolarHBondContact O-N 3.07Å; G658-R661 PolarHBondContact O-N 3.27Å; G658-L662 PolarHBondContact O-N 3.45Å
659Y66.2Low64.1Low64 Ų6496.6 Ų96.625%0.25149%0.49SS..Hα-helixtrans-57-47.7177.8-179.4-85.1000112.2I641 P643 D655 R656 L662 R663I641-Y659 HydrophobicContact CB-CD2 4.24Å; I641-Y659 HydrophobicContact CB-CE2 3.52Å; I641-Y659 HydrophobicContact CD1-CD2 4.46Å; I641-Y659 HydrophobicContact CD1-CE2 4.24Å; I641-Y659 HydrophobicContact CG1-CE2 4.5Å; I641-Y659 HydrophobicContact CG2-CD2 3.7Å; I641-Y659 HydrophobicContact CG2-CE2 3.42Å; I641-Y659 VanDerWaalsContact CG2-CE2 3.42Å; I641-Y659 PolarHBondContact O-OH 2.97Å; P643-Y659 HydrophobicContact CG-CE2 3.97Å; D655-Y659 PolarHBondContact O-N 2.68Å; R656-Y659 PolarHBondContact O-N 3.03Å; Y659-L662 PolarHBondContact O-N 3.15Å; Y659-R663 PolarHBondContact O-N 2.88Å
660E70.7Confident66.8Low92 Ų9290.1 Ų90.143%0.4344%0.444SS..Hα-helixtrans-65.2-41178.5-77.4-171.7-14800113.1R656 G658 L662 R663 R664R656-E660 PolarHBondContact O-N 3.01Å; G658-E660 PolarHBondContact O-N 3.07Å; E660-L662 VanDerWaalsContact C-N 3.3Å; E660-L662 PolarHBondContact O-N 2.87Å; E660-R663 PolarHBondContact O-N 2.85Å; E660-R664 WeakPolarHBondContact O-CB 3.4Å; E660-R664 VanDerWaalsContact O-CG 3.24Å; E660-R664 WeakPolarHBondContact O-CG 3.5Å; E660-R664 PolarHBondContact O-N 2.81Å; E660-R664 IonicContact OE2-CZ 2.69Å; E660-R664 IonicContact OE2-NE 3.43Å; E660-R664 IonicContact OE2-NH2 3.53Å; E660-R664 PolarHBondContact OE2-NH2 3.49Å
661R74.9Confident69.1Low165 Ų16590.6 Ų90.662%0.62343%0.433SS*.Hα-helixtrans-59.6-42.2174.9-73.2167.6-162.2-169.47.3110.9C657 G658 R665C657-R661 WeakPolarHBondContact O-CB 3.39Å; C657-R661 WeakPolarHBondContact O-CD 3.32Å; C657-R661 WeakPolarHBondContact O-CG 3.36Å; C657-R661 PolarHBondContact O-N 2.96Å; C657-R661 PolarHBondContact SG-NE 3.41Å; C657-R661 PolarHBondContact SG-NH2 3.46Å; G658-R661 PolarHBondContact O-N 3.27Å; R661-R665 VanDerWaalsContact O-CB 3.28Å; R661-R665 WeakPolarHBondContact O-CB 3.27Å; R661-R665 PolarHBondContact O-N 2.9Å
662L74.4Confident71.7Confident16 Ų1692.4 Ų92.48%0.08443%0.43CS..Hα-helixtrans-66.7-45.9177-178.257.7000111.6I641 G658 Y659 E660 R664 R665 I666 I763 L766 L770I641-L662 HydrophobicContact CD1-CB 4.23Å; I641-L662 HydrophobicContact CD1-CD2 4.04Å; I641-L662 HydrophobicContact CD1-CG 3.9Å; G658-L662 PolarHBondContact O-N 3.45Å; Y659-L662 PolarHBondContact O-N 3.15Å; E660-L662 VanDerWaalsContact C-N 3.3Å; E660-L662 PolarHBondContact O-N 2.87Å; L662-R664 PolarHBondContact O-N 2.9Å; L662-R665 WeakPolarHBondContact O-CB 3.44Å; L662-R665 PolarHBondContact O-N 2.91Å; L662-R665 VanDerWaalsContact O-N 3.15Å; L662-I666 HydrophobicContact CD1-CD1 4.44Å; L662-I666 HydrophobicContact CD1-CG1 4.44Å; L662-I666 HydrophobicContact CG-CD1 4.16Å; L662-I666 WeakPolarHBondContact O-CG1 3.4Å; L662-I666 PolarHBondContact O-N 2.91Å; L662-I763 HydrophobicContact CD2-CB 4.18Å; L662-I763 HydrophobicContact CD2-CG1 4.09Å; L662-I763 HydrophobicContact CD2-CG2 3.94Å; L662-L766 HydrophobicContact CD2-CD2 4.27Å; L662-L770 HydrophobicContact CD1-CD1 3.68Å
663R79.2Confident73.8Confident130 Ų13087 Ų8749%0.49140%0.402SS..Hα-helixtrans-56.7-51.8176.7-171.7175.6-177163.87.6111.9I641 Y659 E660 R665 I666 D667I641-R663 HydrophobicContact CD1-CB 4.11Å; Y659-R663 PolarHBondContact O-N 2.88Å; E660-R663 PolarHBondContact O-N 2.85Å; R663-R665 VanDerWaalsContact C-N 3.28Å; R663-R665 PolarHBondContact O-N 3.13Å; R663-I666 WeakPolarHBondContact O-CB 3.44Å; R663-I666 PolarHBondContact O-N 3.42Å; R663-I666 VanDerWaalsContact O-N 3.07Å; R663-D667 PolarHBondContact O-N 3.33Å
664R82.7Confident75.7Confident135 Ų13583.8 Ų83.851%0.50938%0.376SS..Hα-helixtrans-56.1-42.7175.4-65.8173.1-146.5175.24.3111.7E660 L662 I666 D667 D668E660-R664 WeakPolarHBondContact O-CB 3.4Å; E660-R664 VanDerWaalsContact O-CG 3.24Å; E660-R664 WeakPolarHBondContact O-CG 3.5Å; E660-R664 PolarHBondContact O-N 2.81Å; E660-R664 IonicContact OE2-CZ 2.69Å; E660-R664 IonicContact OE2-NE 3.43Å; E660-R664 IonicContact OE2-NH2 3.53Å; E660-R664 PolarHBondContact OE2-NH2 3.49Å; L662-R664 PolarHBondContact O-N 2.9Å; R664-I666 VanDerWaalsContact C-N 3.33Å; R664-I666 PolarHBondContact O-N 3.01Å; R664-D667 PolarHBondContact O-N 3.04Å; R664-D668 WeakPolarHBondContact O-CB 3.47Å; R664-D668 PolarHBondContact O-N 3.44Å
665R83.5Confident77.6Confident128 Ų12883.4 Ų83.448%0.48337%0.374SS..Hα-helixtrans-64.5-33.3177.8-174.8177.6173.2173-4.5112.8R661 L662 R663 Y669 L770R661-R665 VanDerWaalsContact O-CB 3.28Å; R661-R665 WeakPolarHBondContact O-CB 3.27Å; R661-R665 PolarHBondContact O-N 2.9Å; L662-R665 WeakPolarHBondContact O-CB 3.44Å; L662-R665 PolarHBondContact O-N 2.91Å; L662-R665 VanDerWaalsContact O-N 3.15Å; R663-R665 VanDerWaalsContact C-N 3.28Å; R663-R665 PolarHBondContact O-N 3.13Å; R665-Y669 VanDerWaalsContact O-CB 3.23Å; R665-Y669 WeakPolarHBondContact O-CB 3.46Å; R665-Y669 PolarHBondContact O-N 3.44Å; R665-Y669 VanDerWaalsContact O-N 3.12Å; R665-L770 HydrophobicContact CG-CD1 4.28Å
666I83.9Confident79.2Confident7 Ų778.9 Ų78.94%0.03635%0.35CS..Hα-helixtrans-70.3-48.1172.1-62.1156.6000110.3L599 I641 L662 R663 R664 D668 Y669 L670 L766 L770L599-I666 HydrophobicContact CD2-CG2 4.24Å; I641-I666 HydrophobicContact CD1-CD1 3.78Å; I641-I666 HydrophobicContact CG1-CD1 3.91Å; L662-I666 HydrophobicContact CD1-CD1 4.44Å; L662-I666 HydrophobicContact CD1-CG1 4.44Å; L662-I666 HydrophobicContact CG-CD1 4.16Å; L662-I666 WeakPolarHBondContact O-CG1 3.4Å; L662-I666 PolarHBondContact O-N 2.91Å; R663-I666 WeakPolarHBondContact O-CB 3.44Å; R663-I666 PolarHBondContact O-N 3.42Å; R663-I666 VanDerWaalsContact O-N 3.07Å; R664-I666 VanDerWaalsContact C-N 3.33Å; R664-I666 PolarHBondContact O-N 3.01Å; I666-D668 VanDerWaalsContact C-N 3.34Å; I666-D668 PolarHBondContact O-N 2.83Å; I666-Y669 CarbonylContact O-C 3.49Å; I666-Y669 WeakPolarHBondContact O-CB 3.47Å; I666-Y669 PolarHBondContact O-N 3.42Å; I666-Y669 VanDerWaalsContact O-N 3.07Å; I666-L670 HydrophobicContact CG2-CD1 3.8Å; I666-L670 HydrophobicContact CG2-CG 4.16Å; I666-L670 WeakPolarHBondContact O-CB 3.3Å; I666-L670 WeakPolarHBondContact O-CG 3.4Å; I666-L670 PolarHBondContact O-N 3.46Å; I666-L766 HydrophobicContact CD1-CD2 3.46Å; I666-L766 VanDerWaalsContact CD1-CD2 3.46Å; I666-L766 HydrophobicContact CD1-CG 4.15Å; I666-L766 HydrophobicContact CG1-CD2 4.25Å; I666-L766 HydrophobicContact CG1-CG 4.44Å; I666-L770 HydrophobicContact CG1-CD1 3.94Å
667D86Confident80.6Confident77 Ų7769.3 Ų69.341%0.41231%0.313SS..Hα-helixtrans-60.4-42.9-179.1-71.6-43.1000111.6R663 R664 K671R663-D667 PolarHBondContact O-N 3.33Å; R664-D667 PolarHBondContact O-N 3.04Å; D667-K671 WeakPolarHBondContact O-CB 3.41Å; D667-K671 PolarHBondContact O-N 3.07Å
668D87.7Confident81.7Confident103 Ų10372.4 Ų72.455%0.55132%0.318SS*.Hα-helixtrans-64.6-38.1172.3-82.3-32.6000112.7R664 I666 K672R664-D668 WeakPolarHBondContact O-CB 3.47Å; R664-D668 PolarHBondContact O-N 3.44Å; I666-D668 VanDerWaalsContact C-N 3.34Å; I666-D668 PolarHBondContact O-N 2.83Å; D668-K672 VanDerWaalsContact O-CB 3.22Å; D668-K672 WeakPolarHBondContact O-CB 3.24Å; D668-K672 PolarHBondContact O-N 2.83Å
669Y88.3Confident82.5Confident23 Ų2370.9 Ų70.99%0.0930%0.302CS..Hα-helixtrans-67-45.1177.2-166.5-84.4000111.4L599 R600 R665 I666 K672 S673 L770 D772 F774L599-Y669 HydrophobicContact CB-CE1 4.25Å; R600-Y669 VanDerWaalsContact NH1-CE1 3.31Å; R600-Y669 PolarHBondContact NH1-OH 2.72Å; R600-Y669 PolarHBondContact NH2-OH 3.34Å; R665-Y669 VanDerWaalsContact O-CB 3.23Å; R665-Y669 WeakPolarHBondContact O-CB 3.46Å; R665-Y669 PolarHBondContact O-N 3.44Å; R665-Y669 VanDerWaalsContact O-N 3.12Å; I666-Y669 CarbonylContact O-C 3.49Å; I666-Y669 WeakPolarHBondContact O-CB 3.47Å; I666-Y669 PolarHBondContact O-N 3.42Å; I666-Y669 VanDerWaalsContact O-N 3.07Å; Y669-K672 PolarHBondContact O-N 3.11Å; Y669-S673 WeakPolarHBondContact O-CB 3.42Å; Y669-S673 PolarHBondContact O-N 2.84Å; Y669-L770 HydrophobicContact CD1-CD2 3.93Å; Y669-L770 HydrophobicContact CD2-CD2 3.54Å; Y669-L770 HydrophobicContact CE1-CD2 4.35Å; Y669-L770 HydrophobicContact CE2-CD2 4.01Å; Y669-L770 HydrophobicContact CG-CD2 3.5Å; Y669-D772 PolarHBondContact OH-O 2.96Å; Y669-D772 VanDerWaalsContact OH-O 3.04Å; Y669-F774 HydrophobicContact CD1-CE1 4.48Å; Y669-F774 HydrophobicContact CD1-CE2 4.25Å; Y669-F774 AromaticContact CD1-CZ 3.61Å; Y669-F774 HydrophobicContact CD1-CZ 3.61Å; Y669-F774 AromaticContact CD2-CE2 3.6Å; Y669-F774 HydrophobicContact CD2-CE2 3.6Å; Y669-F774 AromaticContact CD2-CZ 3.84Å; Y669-F774 HydrophobicContact CD2-CZ 3.84Å; Y669-F774 HydrophobicContact CE1-CE1 4.01Å; Y669-F774 HydrophobicContact CE1-CE2 4.11Å; Y669-F774 AromaticContact CE1-CZ 3.45Å; Y669-F774 HydrophobicContact CE1-CZ 3.45Å; Y669-F774 VanDerWaalsContact CE1-CZ 3.45Å; Y669-F774 HydrophobicContact CE2-CD2 4.24Å; Y669-F774 AromaticContact CE2-CE2 3.44Å; Y669-F774 HydrophobicContact CE2-CE2 3.44Å; Y669-F774 VanDerWaalsContact CE2-CE2 3.44Å; Y669-F774 AromaticContact CE2-CZ 3.7Å; Y669-F774 HydrophobicContact CE2-CZ 3.7Å; Y669-F774 HydrophobicContact CG-CE2 4.01Å; Y669-F774 AromaticContact CG-CZ 3.8Å; Y669-F774 HydrophobicContact CG-CZ 3.8Å; Y669-F774 AromaticContact CZ-CE2 3.72Å; Y669-F774 AromaticContact CZ-CZ 3.5Å; Y669-F774 VanDerWaalsContact CZ-CZ 3.5Å
670L87.7Confident82.9Confident3 Ų370.8 Ų70.82%0.01631%0.309CS..Hα-helixtrans-63.1-45.1175.7-72.1173.1000111.5P638 I666 K672 S673 R674P638-L670 HydrophobicContact CB-CD1 4.09Å; I666-L670 HydrophobicContact CG2-CD1 3.8Å; I666-L670 HydrophobicContact CG2-CG 4.16Å; I666-L670 WeakPolarHBondContact O-CB 3.3Å; I666-L670 WeakPolarHBondContact O-CG 3.4Å; I666-L670 PolarHBondContact O-N 3.46Å; L670-K672 PolarHBondContact O-N 2.99Å; L670-S673 WeakPolarHBondContact O-CB 3.26Å; L670-S673 PolarHBondContact O-N 3.06Å; L670-R674 PolarHBondContact O-N 2.84Å
671K88Confident82.6Confident117 Ų11772.3 Ų72.351%0.50932%0.32SS..Hα-helixtrans-59.4-45.4175.3-177.8177.8-179.2-179.80111.8D667 S673 Q675D667-K671 WeakPolarHBondContact O-CB 3.41Å; D667-K671 PolarHBondContact O-N 3.07Å; K671-S673 VanDerWaalsContact C-N 3.35Å; K671-Q675 WeakPolarHBondContact O-CG 3.4Å; K671-Q675 PolarHBondContact O-N 3.19Å
672K87.8Confident81.7Confident95 Ų9570.1 Ų70.141%0.41332%0.318SS..Hα-helixtrans-65.4-36.5174.2-176.8174177.1179.40112.3D668 Y669 L670 Q675 L676 F774D668-K672 VanDerWaalsContact O-CB 3.22Å; D668-K672 WeakPolarHBondContact O-CB 3.24Å; D668-K672 PolarHBondContact O-N 2.83Å; Y669-K672 PolarHBondContact O-N 3.11Å; L670-K672 PolarHBondContact O-N 2.99Å; K672-Q675 PolarHBondContact O-N 3.33Å; K672-L676 WeakPolarHBondContact O-CB 3.37Å; K672-L676 PolarHBondContact O-N 3.11Å; K672-F774 HydrophobicContact CB-CE2 4.47Å; K672-F774 HydrophobicContact CD-CD2 4.05Å; K672-F774 HydrophobicContact CD-CE2 3.83Å; K672-F774 HydrophobicContact CG-CD2 4.46Å; K672-F774 HydrophobicContact CG-CE2 4.11Å; K672-F774 HydrophobicContact CG-CZ 4.45Å
673S86.8Confident80.3Confident0 Ų075.7 Ų75.70%035%0.348CS..Hα-helixtrans-63.5-51.9176.1-161.60000111.1R600 Y669 L670 K671 Q675 L676 Y677R600-S673 WeakPolarHBondContact CA-OG 3.39Å; R600-S673 PolarHBondContact O-OG 3.39Å; Y669-S673 WeakPolarHBondContact O-CB 3.42Å; Y669-S673 PolarHBondContact O-N 2.84Å; L670-S673 WeakPolarHBondContact O-CB 3.26Å; L670-S673 PolarHBondContact O-N 3.06Å; K671-S673 VanDerWaalsContact C-N 3.35Å; S673-Q675 VanDerWaalsContact C-N 3.28Å; S673-Q675 PolarHBondContact O-N 3.34Å; S673-L676 PolarHBondContact O-N 2.8Å; S673-L676 VanDerWaalsContact O-N 3.15Å; S673-Y677 VanDerWaalsContact O-CD2 3.23Å; S673-Y677 WeakPolarHBondContact O-CD2 3.28Å; S673-Y677 PolarHBondContact O-N 3.25Å; S673-Y677 VanDerWaalsContact OG-CD2 3.3Å; S673-Y677 WeakPolarHBondContact OG-CD2 3.26Å
674R85.6Confident78.4Confident46 Ų4673.4 Ų73.417%0.17434%0.34CS..Hα-helixtrans-58.1-39.3177.7-69.9-162.4-66.2-82.62.7112.4N601 L670 R678 I679 D681N601-R674 HydrophobicContact CB-CG 3.96Å; N601-R674 PolarHBondContact OD1-NH1 3.11Å; L670-R674 PolarHBondContact O-N 2.84Å; R674-R678 WeakPolarHBondContact O-CA 3.25Å; R674-R678 PolarHBondContact O-N 2.87Å; R674-I679 HydrophobicContact CG-CB 4.38Å; R674-I679 PolarHBondContact O-N 2.77Å; R674-I679 VanDerWaalsContact O-N 3.08Å; R674-D681 IonicContact CZ-OD1 2.73Å; R674-D681 IonicContact NE-OD1 2.76Å; R674-D681 PolarHBondContact NE-OD1 3.35Å; R674-D681 IonicContact NH2-OD1 2.97Å; R674-D681 PolarHBondContact NH2-OD1 3.48Å
675Q85.4Confident75.9Confident139 Ų13975.2 Ų75.265%0.6535%0.354SS*.Hα-helixtrans-65.4-44.9174.3-71.8176-2.100113.6K671 K672 S673K671-Q675 WeakPolarHBondContact O-CG 3.4Å; K671-Q675 PolarHBondContact O-N 3.19Å; K672-Q675 PolarHBondContact O-N 3.33Å; S673-Q675 VanDerWaalsContact C-N 3.28Å; S673-Q675 PolarHBondContact O-N 3.34Å
676L84.7Confident73.3Confident31 Ų3171.7 Ų71.716%0.16235%0.349CS..Hα-helixtrans-70-41.2-178.5-179.963000112.5N554 K672 S673 F774 Q777N554-L676 PolarHBondContact ND2-O 3.09Å; N554-L676 VanDerWaalsContact ND2-O 3.07Å; K672-L676 WeakPolarHBondContact O-CB 3.37Å; K672-L676 PolarHBondContact O-N 3.11Å; S673-L676 PolarHBondContact O-N 2.8Å; S673-L676 VanDerWaalsContact O-N 3.15Å; L676-F774 HydrophobicContact CD2-CB 3.73Å; L676-F774 HydrophobicContact CD2-CD1 3.69Å; L676-F774 HydrophobicContact CD2-CG 3.98Å; L676-Q777 HydrophobicContact CD1-CB 4.11Å; L676-Q777 HydrophobicContact CD1-CG 4.25Å
677Y84.3Confident70.8Confident2 Ų276.3 Ų76.31%0.00837%0.374CS..Hα-helixtrans-95.24.1-177-58.7-67000113.5G553 N554 A556 R600 M602 S673 I679 F774 Q775G553-Y677 CarbonylContact C-O 3.5Å; G553-Y677 WeakPolarHBondContact CA-O 3.42Å; N554-Y677 HydrophobicContact CB-CD1 4.46Å; N554-Y677 PolarHBondContact N-O 2.8Å; A556-Y677 HydrophobicContact CB-CD1 3.96Å; A556-Y677 HydrophobicContact CB-CE1 3.36Å; A556-Y677 HydrophobicContact CB-CE2 4.39Å; R600-Y677 VanDerWaalsContact CD-CE2 3.41Å; R600-Y677 PolarHBondContact NE-OH 3.06Å; M602-Y677 HydrophobicContact CE-CD1 3.93Å; M602-Y677 HydrophobicContact CE-CD2 4.33Å; M602-Y677 HydrophobicContact CE-CG 3.78Å; S673-Y677 VanDerWaalsContact O-CD2 3.23Å; S673-Y677 WeakPolarHBondContact O-CD2 3.28Å; S673-Y677 PolarHBondContact O-N 3.25Å; S673-Y677 VanDerWaalsContact OG-CD2 3.3Å; S673-Y677 WeakPolarHBondContact OG-CD2 3.26Å; Y677-I679 VanDerWaalsContact C-N 3.29Å; Y677-I679 PolarHBondContact O-N 2.85Å; Y677-F774 AromaticContact CE2-CD1 3.93Å; Y677-F774 HydrophobicContact CE2-CD1 3.93Å; Y677-F774 HydrophobicContact CE2-CE1 4.04Å; Y677-Q775 HydrophobicContact CE1-CG 4.37Å; Y677-Q775 PolarHBondContact OH-OE1 3.4Å
678R82.8Confident68.3Low110 Ų11077 Ų7742%0.41538%0.377SS..THydrogen-bonded Turntrans54.839.5176.7-62.2169.4151.1177.8-23.2113.8R674R674-R678 WeakPolarHBondContact O-CA 3.25Å; R674-R678 PolarHBondContact O-N 2.87Å
679I82.5Confident65.5Low6 Ų676.8 Ų76.83%0.03138%0.38CS..  trans-89.4121.8-179.4-53.4179.6000108.3N601 M602 Y629 R674 Y677N601-I679 HydrophobicContact CB-CD1 4.42Å; N601-I679 VanDerWaalsContact O-CD1 3.24Å; N601-I679 WeakPolarHBondContact O-CD1 3.19Å; M602-I679 HydrophobicContact CE-CD1 4.13Å; M602-I679 HydrophobicContact CG-CD1 3.81Å; Y629-I679 HydrophobicContact CD2-CG2 3.69Å; Y629-I679 HydrophobicContact CE2-CG2 4.16Å; Y629-I679 HydrophobicContact CG-CG2 3.95Å; R674-I679 HydrophobicContact CG-CB 4.38Å; R674-I679 PolarHBondContact O-N 2.77Å; R674-I679 VanDerWaalsContact O-N 3.08Å; Y677-I679 VanDerWaalsContact C-N 3.29Å; Y677-I679 PolarHBondContact O-N 2.85Å
680P74.6Confident62.7Low62 Ų6282.9 Ų82.940%0.40341%0.407SS..  trans-61.2142.2-176.5-2534.8000113.7I552 M682I552-P680 HydrophobicContact CG2-CG 3.96Å; P680-M682 HydrophobicContact CB-CE 4.4Å; P680-M682 HydrophobicContact CB-CG 4.16Å; P680-M682 PolarHBondContact O-N 2.96Å; P680-M682 VanDerWaalsContact O-N 3.12Å
681D64.6Low60.1Low123 Ų12388.9 Ų88.966%0.65844%0.435SS*.  trans-74.396168.2-72.2-60.3000109.4R674R674-D681 IonicContact CZ-OD1 2.73Å; R674-D681 IonicContact NE-OD1 2.76Å; R674-D681 PolarHBondContact NE-OD1 3.35Å; R674-D681 IonicContact NH2-OD1 2.97Å; R674-D681 PolarHBondContact NH2-OD1 3.48Å
682M56.1Low57.3Low120 Ų12089.4 Ų89.459%0.59144%0.443SS*.  trans-107.2118.6176.6-62.3-79.886.500111.3P680 Y684P680-M682 HydrophobicContact CB-CE 4.4Å; P680-M682 HydrophobicContact CB-CG 4.16Å; P680-M682 PolarHBondContact O-N 2.96Å; P680-M682 VanDerWaalsContact O-N 3.12Å; M682-Y684 PolarHBondContact O-N 3.16Å
683D43.9Very low54.4Low133 Ų13393.3 Ų93.371%0.71146%0.46SS*.SBendtrans41.825.4162.2-69.6-2.9000120Q685 S686D683-Q685 PolarHBondContact O-N 3.04Å; D683-S686 WeakPolarHBondContact O-CB 3.41Å; D683-S686 PolarHBondContact O-N 2.9Å; D683-S686 PolarHBondContact O-OG 3.4Å
684Y38.6Very low51.5Low82 Ų82101.3 Ų101.332%0.32250%0.495SS..Hα-helixtrans-54.7-27.9176.9-156.3-98.9000113.6P638 M682 S686 L688P638-Y684 WeakPolarHBondContact CD-OH 3.4Å; P638-Y684 VanDerWaalsContact CG-OH 3.24Å; P638-Y684 WeakPolarHBondContact CG-OH 3.28Å; M682-Y684 PolarHBondContact O-N 3.16Å; Y684-S686 VanDerWaalsContact C-N 3.32Å; Y684-S686 PolarHBondContact O-N 2.91Å; Y684-L688 HydrophobicContact CD1-CD1 3.88Å; Y684-L688 HydrophobicContact CE1-CD1 3.73Å
685Q30.4Very low48.6Very low172 Ų172106.8 Ų106.880%0.80452%0.523SS*.Hα-helixtrans-72.7-18.8179-67.1-178.7-21.900114.2D683 T689D683-Q685 PolarHBondContact O-N 3.04Å; Q685-T689 PolarHBondContact O-OG1 3.13Å
686S30.1Very low45.8Very low55 Ų55108.6 Ų108.639%0.38554%0.535SS..Hα-helixtrans-77.4-26.5-176.566.90000114.1D683 Y684 T689D683-S686 WeakPolarHBondContact O-CB 3.41Å; D683-S686 PolarHBondContact O-N 2.9Å; D683-S686 PolarHBondContact O-OG 3.4Å; Y684-S686 VanDerWaalsContact C-N 3.32Å; Y684-S686 PolarHBondContact O-N 2.91Å; S686-T689 PolarHBondContact O-OG1 3.08Å
687N31.3Very low43Very low103 Ų103113.9 Ų113.955%0.55156%0.563SS**Hα-helixtrans-99.1-31.4-176.9-72.5-20.4000113.3T689 K690 H691N687-T689 PolarHBondContact O-N 3.49Å; N687-T689 VanDerWaalsContact O-N 3.14Å; N687-K690 PolarHBondContact O-N 2.82Å; N687-K690 VanDerWaalsContact O-N 3.12Å; N687-H691 PolarHBondContact O-N 2.87Å
688L33Very low40.3Very low91 Ų91119.3 Ų119.348%0.47660%0.597SS.*Hα-helixtrans-58.5-23.6172.3-102.473000113Y684Y684-L688 HydrophobicContact CD1-CD1 3.88Å; Y684-L688 HydrophobicContact CE1-CD1 3.73Å
689T28.9Very low37.6Very low100 Ų100122 Ų12261%0.61362%0.616SS**THydrogen-bonded Turntrans-92.6-0.6-17947.90000114.2Q685 S686 N687Q685-T689 PolarHBondContact O-OG1 3.13Å; S686-T689 PolarHBondContact O-OG1 3.08Å; N687-T689 PolarHBondContact O-N 3.49Å; N687-T689 VanDerWaalsContact O-N 3.14Å
690K30.5Very low35.1Very low150 Ų150129.4 Ų129.465%0.65266%0.656SS**THydrogen-bonded Turntrans-121.9-30.9-178.3-74.4-175.2174.9-179.80115.4N687N687-K690 PolarHBondContact O-N 2.82Å; N687-K690 VanDerWaalsContact O-N 3.12Å
691H31.6Very low32.8Very low130 Ų130133.2 Ų133.260%0.60267%0.673SS**SBendtrans-91.2-18.8-179.4-84.7-71.6000115.1N687 K693N687-H691 PolarHBondContact O-N 2.87Å; H691-K693 PolarHBondContact O-N 3.14Å
692D30.3Very low31.1Very low128 Ų128136.4 Ų136.468%0.68468%0.681SS**THydrogen-bonded Turntrans-87.327.6172.7-67.9-3.8000112
693K26.6Very low29.6Very low176 Ų176140.6 Ų140.677%0.76569%0.691SS**THydrogen-bonded Turntrans-138.112-175-97-172.9174.6-176.20116H691H691-K693 PolarHBondContact O-N 3.14Å
694F25.8Very low28.8Very low168 Ų168144.1 Ų144.174%0.73770%0.696SS**SBendtrans-143.1122.2171.4-79.5-91.6000105.6
695E25.6Very low28.1Very low162 Ų162145.9 Ų145.976%0.75772%0.716SS**  cis-140131.3-2.8-64.6168.3146.400108.6
696I26.5Very low28Very low176 Ų176144.4 Ų144.490%0.90371%0.712SS**  trans-135.784.8157.3-58.5-178.7000105.8
697D24.9Very low27.7Very low143 Ų143148.2 Ų148.277%0.76573%0.728SS**  trans-79.2149.7175.2-109.9-36.6000111.3
698T27.7Very low27.5Very low116 Ų116150.3 Ų150.371%0.71274%0.739SS**SBendtrans68.6105.2171.957.50000120
699M26.3Very low27.3Very low165 Ų165151 Ų15181%0.81375%0.75SS**  trans72.986.4138.9-54.8-173.6-167.300120.2
700N29.9Very low27.3Very low162 Ų162152 Ų15287%0.86676%0.757SS**  -174.5140.390.8-97.1-65.1000113
701D26.3Very low27.3Very low143 Ų143152.1 Ų152.177%0.76577%0.765SS**  trans-75.5134.2179.1-68-72.7000113.8
702K29.4Very low27.2Very low190 Ų190152.4 Ų152.483%0.82677%0.766SS**  -170.5121.5128.7-102.6148.4-169.51700112.7
703Y23.1Very low27.2Very low207 Ų207151.9 Ų151.981%0.81276%0.762SS**  trans-70.3136.8168.6-80.8-108.1000111.1
704Y27.2Very low27.4Very low208 Ų208151.7 Ų151.782%0.81676%0.764SS**  trans-136.5102.1151.7-85.4-76.2000109.8
705T24Very low27.5Very low119 Ų119152.1 Ų152.173%0.7377%0.766SS**  trans-76.5123.7165.146.60000109.2
706I28.5Very low27.8Very low140 Ų140148.4 Ų148.472%0.71875%0.751SS**  trans-125.884.1171.1-55.1-177.5000108.8
707D25.2Very low27.9Very low136 Ų136147.9 Ų147.973%0.72774%0.744SS**  trans-65.7162.7149.5-70.1-63.2000109.7
708N26.4Very low28.2Very low146 Ų146147.7 Ų147.778%0.78174%0.743SS**  trans72.278.9-179-52.3-51.9000116.6
709C28.1Very low28.3Very low106 Ų106149.7 Ų149.772%0.71675%0.745SS**  trans-137.719.9156.8-119.70000114N711C709-N711 VanDerWaalsContact C-N 3.29Å; C709-N711 PolarHBondContact O-N 2.83Å
710T28.9Very low28.4Very low122 Ų122150.7 Ų150.775%0.74875%0.745SS**THydrogen-bonded Turntrans-69.5-15.8-173.710.90000115.4
711N29.9Very low28.2Very low152 Ų152147.5 Ų147.581%0.81374%0.735SS**THydrogen-bonded Turntrans-101.3-1.9-170.2-68.7-7.9000115.1C709C709-N711 VanDerWaalsContact C-N 3.29Å; C709-N711 PolarHBondContact O-N 2.83Å
712H30.1Very low28.2Very low135 Ų135148.6 Ų148.663%0.62574%0.735SS**SBendtrans-100.3-7-172.5-131-61.9000115.4
713L30.7Very low28.1Very low117 Ų117147.4 Ų147.461%0.61374%0.737SS**G310 helixtrans-80.4-25.7-175.3-81.1161.5000114.2F715L713-F715 VanDerWaalsContact C-N 3.32Å; L713-F715 PolarHBondContact O-N 3.46Å
714Q30Very low28.2Very low172 Ų172140.7 Ų140.780%0.80472%0.716SS**G310 helixtrans-77.2-7.7-175.7-91.2-175.4-31.500115.8
715F28.4Very low28.2Very low177 Ų177133.1 Ų133.178%0.77669%0.689SS**G310 helixtrans-97.7-19.4174.6-97.3-91000113.8L713L713-F715 VanDerWaalsContact C-N 3.32Å; L713-F715 PolarHBondContact O-N 3.46Å
716I31.5Very low28.2Very low85 Ų85132.5 Ų132.544%0.43668%0.681SS.*G310 helixtrans-87.9-22-171.1-61174.3000112N718 F720I716-N718 PolarHBondContact O-N 3.37Å; I716-N718 VanDerWaalsContact O-N 3.16Å; I716-F720 HydrophobicContact CG2-CD2 3.97Å; I716-F720 HydrophobicContact CG2-CE2 4.09Å
717E30.2Very low28.4Very low165 Ų165131.5 Ų131.577%0.77169%0.686SS**G310 helixtrans-70.5-6.3-177.9-64-171.1133.600114.8
718N29.3Very low28.3Very low138 Ų138130.1 Ų130.174%0.73868%0.679SS**G310 helixtrans-109.1-14.5-176.9-78.3-39.1000115.8I716I716-N718 PolarHBondContact O-N 3.37Å; I716-N718 VanDerWaalsContact O-N 3.16Å
719E30.5Very low28.4Very low159 Ų159127.6 Ų127.674%0.74368%0.678SS**THydrogen-bonded Turntrans-104.9-16.3-175.8-69.8-164.2129.700115.1S721E719-S721 PolarHBondContact O-N 3.43Å
720F29Very low28.6Very low186 Ų186128.6 Ų128.682%0.81668%0.681SS**THydrogen-bonded Turntrans-75.635-178.3-95-83000115.3I716I716-F720 HydrophobicContact CG2-CD2 3.97Å; I716-F720 HydrophobicContact CG2-CE2 4.09Å
721S26Very low28.7Very low95 Ų95128.4 Ų128.466%0.66467%0.674SS**THydrogen-bonded Turntrans-116.219.9172.660.10000113.4E719E719-S721 PolarHBondContact O-N 3.43Å
722Q25.7Very low28.7Very low165 Ų165126.6 Ų126.677%0.77167%0.665SS**SBendtrans-161.7104.4165.7-109158.794.100110.1
723L28Very low28.8Very low165 Ų165127.8 Ų127.886%0.86468%0.676SS**  trans-176.5163.1142.7-104.9164.1000110.8
724D25Very low28.8Very low67 Ų67128.2 Ų128.236%0.35868%0.678SS.*  trans-163.2138.7-153.3-132.8-7.3000109.2N859D724-N859 PolarHBondContact OD1-ND2 2.81Å; D724-N859 WeakPolarHBondContact OD2-CB 3.47Å; D724-N859 PolarHBondContact OD2-N 2.84Å; D724-N859 PolarHBondContact OD2-ND2 3.28Å
725I27Very low28.9Very low49 Ų49125.3 Ų125.325%0.25166%0.663SS.*  trans88.7134.3139.4-55.8169.3000121.6N857 Y858I725-N857 WeakPolarHBondContact CA-OD1 3.45Å; I725-N857 HydrophobicContact CB-CB 4.21Å; I725-N857 HydrophobicContact CD1-CB 4.17Å; I725-N857 HydrophobicContact CG1-CB 3.62Å; I725-N857 HydrophobicContact CG2-CB 3.89Å; I725-Y858 HydrophobicContact CD1-CD1 3.2Å; I725-Y858 HydrophobicContact CD1-CD2 3.82Å; I725-Y858 HydrophobicContact CD1-CE1 3.23Å; I725-Y858 HydrophobicContact CD1-CE2 3.85Å; I725-Y858 HydrophobicContact CD1-CG 3.48Å; I725-Y858 VanDerWaalsContact CD1-CG 3.48Å; I725-Y858 HydrophobicContact CG2-CE2 4.17Å
726N24.7Very low28.9Very low105 Ų105126.3 Ų126.356%0.56167%0.67SS**  trans63.1108.8160.2-70.2-19.5000120.3N857N726-N857 PolarHBondContact N-ND2 3.44Å; N726-N857 PolarHBondContact OD1-ND2 2.82Å
727S30.8Very low28.7Very low120 Ų120124.9 Ų124.984%0.83967%0.668SS**  trans-162.552.6145.815.40000114.1A729S727-A729 PolarHBondContact O-N 3.07Å; S727-A729 VanDerWaalsContact O-N 3.09Å
728N24.8Very low28.6Very low107 Ų107123 Ų12357%0.57267%0.668SS**  trans-74.491.8172.5-87-8.1000111.6Y854N728-Y854 PolarHBondContact ND2-O 2.89Å
729A28.4Very low28.5Very low92 Ų92124 Ų12476%0.7667%0.672SS**  trans-14910.4-176.500000118.4S727S727-A729 PolarHBondContact O-N 3.07Å; S727-A729 VanDerWaalsContact O-N 3.09Å
730T31.9Very low28.2Very low128 Ų128119.7 Ų119.779%0.78566%0.659SS**SBendtrans-140.1-10.3-171.4-13.70000117.9
731I31.6Very low28.2Very low117 Ų117117.5 Ų117.560%0.666%0.662SS**  trans-113.257.6-165.5-41-178.5000112.9
732N30.2Very low28.5Very low115 Ų115116.3 Ų116.362%0.61565%0.653SS**SBendtrans-120.9-10172.9-86.3-26.8000114.8I853N732-I853 VanDerWaalsContact OD1-CD1 3.28Å; N732-I853 WeakPolarHBondContact OD1-CD1 3.35Å
733N31.2Very low28.7Very low160 Ų160113.2 Ų113.286%0.85664%0.642SS**SBendtrans-104.318-172.5-69.20.1000114.6
734L30.9Very low28.9Very low126 Ų126113.2 Ų113.266%0.6664%0.642SS**  trans-124.86.9-173.3-86.3158.5000114.7Q736L734-Q736 PolarHBondContact O-N 2.94Å
735K31.6Very low29Very low110 Ų110116.4 Ų116.448%0.47866%0.657SS.*  trans-92.837.1-175.4-68.3-179.7170.9177.90114.8S852K735-S852 PolarHBondContact NZ-OG 2.86Å
736Q29.6Very low29Very low198 Ų198122.2 Ų122.293%0.92568%0.683SS**SBendtrans-126.220.6-179.9-72-171.9-29.900113.5L734L734-Q736 PolarHBondContact O-N 2.94Å
737S27.4Very low29.1Very low56 Ų56122.1 Ų122.139%0.39269%0.691SS.*  trans-136.732.4-176.554.50000114.5Q646Q646-S737 PolarHBondContact OE1-OG 3.2Å
738T28Very low29Very low126 Ų126121.1 Ų121.177%0.77367%0.673SS**  trans-97.7109.816849.30000109.7
739L25.8Very low29.2Very low158 Ų158119.8 Ų119.883%0.82767%0.666SS**  trans-63.3144.4175.4-10169.7000111.4
740S25Very low29.2Very low68 Ų68121 Ų12148%0.47666%0.663SS.*  trans-71.2127.4176.214.50000111.6S742 D743S740-S742 WeakPolarHBondContact CB-OG 3.42Å; S740-S742 PolarHBondContact O-N 3.42Å; S740-D743 WeakPolarHBondContact CB-OD2 3.48Å; S740-D743 PolarHBondContact O-N 3.16Å; S740-D743 VanDerWaalsContact O-N 3.17Å; S740-D743 PolarHBondContact OG-OD2 3.3Å
741T29.5Very low29.3Very low141 Ų141120 Ų12087%0.86565%0.653SS**THydrogen-bonded Turntrans-69.31.7176.723.80000114.5D743T741-D743 VanDerWaalsContact C-N 3.31Å
742S32Very low29.4Very low69 Ų69122.8 Ų122.848%0.48367%0.67SS.*THydrogen-bonded Turntrans-71.9-22.4166.6460000113.7S740 L744 I745S740-S742 WeakPolarHBondContact CB-OG 3.42Å; S740-S742 PolarHBondContact O-N 3.42Å; S742-L744 VanDerWaalsContact C-N 3.31Å; S742-L744 PolarHBondContact O-N 3.48Å; S742-I745 WeakPolarHBondContact O-CG1 3.35Å; S742-I745 PolarHBondContact O-N 3.38Å
743D28.9Very low29.6Very low100 Ų100121.2 Ų121.254%0.53566%0.664SS.*THydrogen-bonded Turntrans-90.66.4-156.1-54-20.5000113.9S740 T741S740-D743 WeakPolarHBondContact CB-OD2 3.48Å; S740-D743 PolarHBondContact O-N 3.16Å; S740-D743 VanDerWaalsContact O-N 3.17Å; S740-D743 PolarHBondContact OG-OD2 3.3Å; T741-D743 VanDerWaalsContact C-N 3.31Å
744L32Very low29.8Very low165 Ų165122 Ų12286%0.86467%0.667SS**THydrogen-bonded Turntrans-95.3-1.7170.1-73.5168.6000113.3S742 H746S742-L744 VanDerWaalsContact C-N 3.31Å; S742-L744 PolarHBondContact O-N 3.48Å; L744-H746 PolarHBondContact O-N 3.34Å; L744-H746 VanDerWaalsContact O-N 3.16Å
745I28.7Very low30Very low134 Ų134122 Ų12269%0.68766%0.662SS**  trans-91.266.8-174.4-48.5174.1000110.5S742S742-I745 WeakPolarHBondContact O-CG1 3.35Å; S742-I745 PolarHBondContact O-N 3.38Å
746H26.8Very low30.5Very low172 Ų172122.7 Ų122.780%0.79667%0.671SS**  trans-143.7104179-107.539.8000114.7L744L744-H746 PolarHBondContact O-N 3.34Å; L744-H746 VanDerWaalsContact O-N 3.16Å
747S25.6Very low31.3Very low103 Ų103122.1 Ų122.172%0.7267%0.668SS**  trans67.6145.7167.178.80000116.4
748H29.7Very low32.7Very low99 Ų99121.6 Ų121.646%0.45866%0.662SS.*  cis-147.6132.518.1-112.8-47.2000113.7T959H748-T959 PolarHBondContact CE1-OG1 2.84Å; H748-T959 WeakPolarHBondContact NE2-CG2 3.44Å; H748-T959 PolarHBondContact NE2-OG1 3.05Å
749N28.4Very low34.9Very low79 Ų79120.3 Ų120.342%0.42264%0.643SS.*  trans49.3131.2147-54.5-31.2000122.1T957N749-T957 HydrophobicContact CB-CG2 3.8Å; N749-T957 WeakPolarHBondContact ND2-CB 3.44Å; N749-T957 VanDerWaalsContact ND2-CG2 3.31Å; N749-T957 WeakPolarHBondContact ND2-CG2 3.32Å
750T28.3Very low37.3Very low116 Ų116114.8 Ų114.871%0.71261%0.613SS**SBendtrans69.1124.5159.347.10000118.2
751D34Very low39.5Very low107 Ų107111.8 Ų111.857%0.57259%0.592SS**SBendtrans68.7113.9175.8-57.1-8.4000116.7F518 T753F518-D751 HydrophobicContact CE1-CB 4.48Å; F518-D751 HydrophobicContact CE2-CB 4.31Å; F518-D751 VanDerWaalsContact CE2-OD2 3.25Å; F518-D751 WeakPolarHBondContact CE2-OD2 3.48Å; F518-D751 HydrophobicContact CZ-CB 3.74Å; F518-D751 VanDerWaalsContact CZ-OD2 3.29Å; F518-D751 WeakPolarHBondContact CZ-OD2 2.97Å; D751-T753 PolarHBondContact O-N 3.48Å
752D33.9Very low41.5Very low177 Ų177110.4 Ų110.495%0.94758%0.576SS**  trans-72.474.8-166.8-64.7-60.5000114.3
753T35.3Very low43.3Very low81 Ų81111 Ų11150%0.49757%0.573SS.*  trans-124.899.7171.8370000112.4D751 F755D751-T753 PolarHBondContact O-N 3.48Å; T753-F755 VanDerWaalsContact O-CD2 3.3Å; T753-F755 WeakPolarHBondContact O-CD2 3.4Å; T753-F755 WeakPolarHBondContact O-CE2 3.49Å; T753-F755 PolarHBondContact O-N 3.17Å
754L33.6Very low45.3Very low176 Ų176112.8 Ų112.892%0.92158%0.578SS**  trans-81.2107.4172.5-80.4164.5000110.7L756L754-L756 PolarHBondContact O-N 2.91Å
755F36.8Very low47.3Very low127 Ų127106.8 Ų106.856%0.55755%0.545SS*.  trans-84.3107.6175.9-63.8-82.7000111.1S520 T753 E757S520-F755 WeakPolarHBondContact OG-CE1 3.26Å; T753-F755 VanDerWaalsContact O-CD2 3.3Å; T753-F755 WeakPolarHBondContact O-CD2 3.4Å; T753-F755 WeakPolarHBondContact O-CE2 3.49Å; T753-F755 PolarHBondContact O-N 3.17Å; F755-E757 PolarHBondContact O-N 3.35Å
756L40.2Very low49.6Very low125 Ų125100.4 Ų100.465%0.65451%0.513SS*.  trans-84.7100.8170.5-78.2164.1000110.2Y587 L754 T758Y587-L756 HydrophobicContact CD2-CB 4.27Å; Y587-L756 HydrophobicContact CD2-CD1 3.78Å; Y587-L756 HydrophobicContact CE2-CB 4.04Å; Y587-L756 HydrophobicContact CE2-CD1 4.22Å; Y587-L756 HydrophobicContact CG-CD1 4.35Å; L754-L756 PolarHBondContact O-N 2.91Å; L756-T758 PolarHBondContact O-N 3.29Å
757E48.2Very low51.9Low186 Ų18693.7 Ų93.787%0.86949%0.487SS*.  trans-63.8128.1168.3-172.9170.8-155.700109.7F755 R759F755-E757 PolarHBondContact O-N 3.35Å; E757-R759 PolarHBondContact O-N 2.99Å; E757-R759 VanDerWaalsContact O-N 3.1Å
758T56.9Low54.3Low44 Ų4490.9 Ų90.927%0.2747%0.465SS..  trans-72.6108.2-172.957.20000110.9M594 L756M594-T758 HydrophobicContact CE-CG2 3.91Å; M594-T758 HydrophobicContact SD-CG2 4.33Å; L756-T758 PolarHBondContact O-N 3.29Å
759R72.7Confident56.6Low100 Ų10086.7 Ų86.738%0.37745%0.447SS..PPolyproline II helixtrans-56.3150.1173.167.5170178.470.5-2.3111.8Y591 E757 E762 E765Y591-R759 VanDerWaalsContact CE2-O 3.24Å; Y591-R759 WeakPolarHBondContact CE2-O 3.49Å; Y591-R759 PolarHBondContact OH-NH1 2.97Å; E757-R759 PolarHBondContact O-N 2.99Å; E757-R759 VanDerWaalsContact O-N 3.1Å; R759-E762 IonicContact CZ-OE1 3.2Å; R759-E762 IonicContact NH1-OE1 2.68Å; R759-E765 IonicContact CZ-OE1 3.93Å; R759-E765 IonicContact CZ-OE2 2.86Å; R759-E765 IonicContact NH1-OE1 2.64Å; R759-E765 IonicContact NH1-OE2 2.75Å; R759-E765 PolarHBondContact NH1-OE2 2.72Å; R759-E765 IonicContact NH2-OE1 2.83Å; R759-E765 PolarHBondContact NH2-OE1 3.36Å; R759-E765 IonicContact NH2-OE2 2.87Å
760E75.9Confident59.1Low42 Ų4283.4 Ų83.420%0.19643%0.429CS..PPolyproline II helixtrans-72.7161169.1-73.6-66.8153.600110.8R598 P639 R640 I642R598-E760 IonicContact CZ-OE1 2.89Å; R598-E760 IonicContact NH1-OE1 3.24Å; R598-E760 PolarHBondContact NH1-OE1 3.15Å; R598-E760 IonicContact NH1-OE2 3.89Å; P639-E760 WeakPolarHBondContact CA-OE2 3.21Å; R640-E760 HydrophobicContact CB-CG 4.05Å; R640-E760 PolarHBondContact N-OE2 2.93Å; I642-E760 HydrophobicContact CD1-CB 3.97Å; I642-E760 HydrophobicContact CD1-CG 4.47Å; I642-E760 HydrophobicContact CG1-CB 4.27Å
761P72.1Confident61.5Low5 Ų581.7 Ų81.73%0.03241%0.413CS..PPolyproline II helixtrans-83.3138.3-169.831.7-29000112.3Y591 P639 E765 L766Y591-P761 WeakPolarHBondContact OH-CA 3.29Å; Y591-P761 VanDerWaalsContact OH-CB 3.31Å; Y591-P761 WeakPolarHBondContact OH-CB 3.45Å; P639-P761 HydrophobicContact CB-CG 3.77Å; P761-E765 HydrophobicContact CB-CB 4.46Å; P761-L766 HydrophobicContact CB-CB 4.33Å; P761-L766 HydrophobicContact CG-CB 4.43Å; P761-L766 HydrophobicContact CG-CD1 4.09Å; P761-L766 HydrophobicContact CG-CD2 4.13Å; P761-L766 HydrophobicContact CG-CG 4.46Å
762E71.2Confident63.5Low111 Ų11177.4 Ų77.452%0.51939%0.39SS..PPolyproline II helixtrans-66.2154.5170.3-71.9156.1-155.200110.4R759 E764 E765 L766R759-E762 IonicContact CZ-OE1 3.2Å; R759-E762 IonicContact NH1-OE1 2.68Å; E762-E764 PolarHBondContact O-N 3.4Å; E762-E764 VanDerWaalsContact O-N 3.09Å; E762-E765 HydrophobicContact CB-CG 4.31Å; E762-E765 PolarHBondContact N-OE2 2.9Å; E762-E765 PolarHBondContact O-N 3.4Å; E762-L766 WeakPolarHBondContact O-CB 3.45Å; E762-L766 PolarHBondContact O-N 2.9Å
763I70.3Confident65.8Low81 Ų8171 Ų7142%0.41536%0.358SS..Hα-helixtrans-51.5-37.9-176.8-74.5173.5000111.7I641 L662 A767I641-I763 HydrophobicContact CG2-CD1 4.43Å; I641-I763 HydrophobicContact CG2-CG1 3.92Å; L662-I763 HydrophobicContact CD2-CB 4.18Å; L662-I763 HydrophobicContact CD2-CG1 4.09Å; L662-I763 HydrophobicContact CD2-CG2 3.94Å; I763-A767 WeakPolarHBondContact O-CB 3.49Å; I763-A767 PolarHBondContact O-N 2.96Å
764E70.5Confident68Low138 Ų13868.6 Ų68.665%0.64534%0.34SS*.Hα-helixtrans-77.9-44.3-176.9-60.2-179.3-171.200112.4E762 L766 A767 V768E762-E764 PolarHBondContact O-N 3.4Å; E762-E764 VanDerWaalsContact O-N 3.09Å; E764-L766 VanDerWaalsContact C-N 3.29Å; E764-L766 PolarHBondContact O-N 3.31Å; E764-A767 WeakPolarHBondContact O-CB 3.46Å; E764-A767 PolarHBondContact O-N 2.94Å; E764-V768 WeakPolarHBondContact O-CG2 3.48Å; E764-V768 PolarHBondContact O-N 2.87Å
765E73.9Confident70.4Confident39 Ų3960.8 Ų60.818%0.18230%0.299CS..Hα-helixtrans-56.4-47.2171.3-65.6-169.4134.700110.7Y591 R759 P761 E762 A767 V768 L769Y591-E765 PolarHBondContact OH-OE2 2.92Å; R759-E765 IonicContact CZ-OE1 3.93Å; R759-E765 IonicContact CZ-OE2 2.86Å; R759-E765 IonicContact NH1-OE1 2.64Å; R759-E765 IonicContact NH1-OE2 2.75Å; R759-E765 PolarHBondContact NH1-OE2 2.72Å; R759-E765 IonicContact NH2-OE1 2.83Å; R759-E765 PolarHBondContact NH2-OE1 3.36Å; R759-E765 IonicContact NH2-OE2 2.87Å; P761-E765 HydrophobicContact CB-CB 4.46Å; E762-E765 HydrophobicContact CB-CG 4.31Å; E762-E765 PolarHBondContact N-OE2 2.9Å; E762-E765 PolarHBondContact O-N 3.4Å; E765-A767 VanDerWaalsContact C-N 3.31Å; E765-A767 PolarHBondContact O-N 2.91Å; E765-V768 CarbonylContact O-C 3.55Å; E765-V768 WeakPolarHBondContact O-CA 3.43Å; E765-V768 WeakPolarHBondContact O-CB 3.25Å; E765-V768 PolarHBondContact O-N 2.93Å; E765-L769 WeakPolarHBondContact O-CG 3.5Å; E765-L769 PolarHBondContact O-N 3.28Å
766L76.6Confident72.7Confident0 Ų056.9 Ų56.90%029%0.287CS..Hα-helixtrans-64.9-37.8-178.5-165.751.6000111.1L599 P639 I641 L662 I666 P761 E762 E764 V768 L769 L770L599-L766 HydrophobicContact CD1-CD1 4.1Å; L599-L766 HydrophobicContact CD2-CD1 4.31Å; P639-L766 HydrophobicContact CB-CD1 4.26Å; P639-L766 HydrophobicContact CG-CD1 4.42Å; I641-L766 HydrophobicContact CG1-CD2 4.02Å; L662-L766 HydrophobicContact CD2-CD2 4.27Å; I666-L766 HydrophobicContact CD1-CD2 3.46Å; I666-L766 VanDerWaalsContact CD1-CD2 3.46Å; I666-L766 HydrophobicContact CD1-CG 4.15Å; I666-L766 HydrophobicContact CG1-CD2 4.25Å; I666-L766 HydrophobicContact CG1-CG 4.44Å; P761-L766 HydrophobicContact CB-CB 4.33Å; P761-L766 HydrophobicContact CG-CB 4.43Å; P761-L766 HydrophobicContact CG-CD1 4.09Å; P761-L766 HydrophobicContact CG-CD2 4.13Å; P761-L766 HydrophobicContact CG-CG 4.46Å; E762-L766 WeakPolarHBondContact O-CB 3.45Å; E762-L766 PolarHBondContact O-N 2.9Å; E764-L766 VanDerWaalsContact C-N 3.29Å; E764-L766 PolarHBondContact O-N 3.31Å; L766-V768 VanDerWaalsContact C-N 3.34Å; L766-V768 PolarHBondContact O-N 3.07Å; L766-L769 HydrophobicContact CD1-CD1 4.48Å; L766-L769 PolarHBondContact O-N 3.25Å; L766-L770 HydrophobicContact CG-CD1 4.4Å; L766-L770 WeakPolarHBondContact O-CB 3.27Å; L766-L770 WeakPolarHBondContact O-CD1 3.46Å; L766-L770 WeakPolarHBondContact O-CG 3.43Å; L766-L770 PolarHBondContact O-N 3.19Å
767A75.1Confident74.7Confident32 Ų3257.4 Ų57.426%0.26429%0.286SS..Hα-helixtrans-63.2-35.817100000113I763 E764 E765 Q771I763-A767 WeakPolarHBondContact O-CB 3.49Å; I763-A767 PolarHBondContact O-N 2.96Å; E764-A767 WeakPolarHBondContact O-CB 3.46Å; E764-A767 PolarHBondContact O-N 2.94Å; E765-A767 VanDerWaalsContact C-N 3.31Å; E765-A767 PolarHBondContact O-N 2.91Å; A767-Q771 WeakPolarHBondContact O-CG 3.29Å; A767-Q771 PolarHBondContact O-N 2.69Å
768V76Confident76.1Confident43 Ų4349.3 Ų49.326%0.26125%0.253SS..Hα-helixtrans-71.9-40174.2172.70000112E764 E765 L766 L770 Q771E764-V768 WeakPolarHBondContact O-CG2 3.48Å; E764-V768 PolarHBondContact O-N 2.87Å; E765-V768 CarbonylContact O-C 3.55Å; E765-V768 WeakPolarHBondContact O-CA 3.43Å; E765-V768 WeakPolarHBondContact O-CB 3.25Å; E765-V768 PolarHBondContact O-N 2.93Å; L766-V768 VanDerWaalsContact C-N 3.34Å; L766-V768 PolarHBondContact O-N 3.07Å; V768-L770 VanDerWaalsContact C-N 3.3Å; V768-L770 PolarHBondContact O-N 3.18Å; V768-Q771 WeakPolarHBondContact O-CB 3.26Å; V768-Q771 PolarHBondContact O-N 3.2Å; V768-Q771 VanDerWaalsContact O-N 3.11Å
769L78.1Confident77.5Confident12 Ų1247.4 Ų47.46%0.06324%0.241CC..Hα-helixtrans-61.7-39.5174.2-66.2176.3000111.4Q595 K596 L599 E765 L766 Q771 D772Q595-L769 HydrophobicContact CB-CD1 3.67Å; Q595-L769 HydrophobicContact CG-CD1 4.49Å; K596-L769 HydrophobicContact CD-CD2 4.3Å; K596-L769 HydrophobicContact CG-CD2 3.85Å; L599-L769 HydrophobicContact CD1-CB 3.66Å; L599-L769 HydrophobicContact CD1-CD1 4.05Å; L599-L769 HydrophobicContact CD1-CG 4.47Å; E765-L769 WeakPolarHBondContact O-CG 3.5Å; E765-L769 PolarHBondContact O-N 3.28Å; L766-L769 HydrophobicContact CD1-CD1 4.48Å; L766-L769 PolarHBondContact O-N 3.25Å; L769-Q771 PolarHBondContact O-N 3.25Å; L769-D772 PolarHBondContact O-N 2.69Å
770L81.7Confident78.1Confident10 Ų1044.1 Ų44.15%0.05223%0.23CC..THydrogen-bonded Turntrans-73.90.8175.5-67167.6000114.5L599 L662 R665 I666 Y669 L766 V768L599-L770 HydrophobicContact CD2-CD2 4.22Å; L662-L770 HydrophobicContact CD1-CD1 3.68Å; R665-L770 HydrophobicContact CG-CD1 4.28Å; I666-L770 HydrophobicContact CG1-CD1 3.94Å; Y669-L770 HydrophobicContact CD1-CD2 3.93Å; Y669-L770 HydrophobicContact CD2-CD2 3.54Å; Y669-L770 HydrophobicContact CE1-CD2 4.35Å; Y669-L770 HydrophobicContact CE2-CD2 4.01Å; Y669-L770 HydrophobicContact CG-CD2 3.5Å; L766-L770 HydrophobicContact CG-CD1 4.4Å; L766-L770 WeakPolarHBondContact O-CB 3.27Å; L766-L770 WeakPolarHBondContact O-CD1 3.46Å; L766-L770 WeakPolarHBondContact O-CG 3.43Å; L766-L770 PolarHBondContact O-N 3.19Å; V768-L770 VanDerWaalsContact C-N 3.3Å; V768-L770 PolarHBondContact O-N 3.18Å
771Q78Confident78.6Confident80 Ų8042.2 Ų42.237%0.37422%0.222SC..THydrogen-bonded Turntrans-85.4-17.9168.2-69.7168.233.800112.9A767 V768 L769 P773 N1001A767-Q771 WeakPolarHBondContact O-CG 3.29Å; A767-Q771 PolarHBondContact O-N 2.69Å; V768-Q771 WeakPolarHBondContact O-CB 3.26Å; V768-Q771 PolarHBondContact O-N 3.2Å; V768-Q771 VanDerWaalsContact O-N 3.11Å; L769-Q771 PolarHBondContact O-N 3.25Å; Q771-P773 WeakPolarHBondContact O-CD 3.47Å; Q771-N1001 PolarHBondContact OE1-ND2 2.99Å
772D77.6Confident79.5Confident17 Ų1742 Ų429%0.09122%0.22CC..SBendtrans-71.5119.4-177.4-80.3-9.3000110.8R561 K596 Y669 L769 R1008R561-D772 IonicContact CZ-OD1 3.63Å; R561-D772 VanDerWaalsContact CZ-OD1 3.25Å; R561-D772 IonicContact CZ-OD2 3.27Å; R561-D772 IonicContact NH1-OD1 2.75Å; R561-D772 PolarHBondContact NH1-OD1 2.79Å; R561-D772 IonicContact NH1-OD2 3.02Å; R561-D772 PolarHBondContact NH1-OD2 3.02Å; R561-D772 VanDerWaalsContact NH1-OD2 3.13Å; R561-D772 IonicContact NH2-OD1 3.72Å; R561-D772 PolarHBondContact NH2-OD1 3.24Å; R561-D772 IonicContact NH2-OD2 2.69Å; R561-D772 PolarHBondContact NH2-OD2 2.83Å; K596-D772 WeakPolarHBondContact CE-OD2 3.49Å; K596-D772 IonicContact NZ-OD2 2.74Å; K596-D772 PolarHBondContact NZ-OD2 3.13Å; Y669-D772 PolarHBondContact OH-O 2.96Å; Y669-D772 VanDerWaalsContact OH-O 3.04Å; L769-D772 PolarHBondContact O-N 2.69Å; D772-R1008 WeakPolarHBondContact OD1-CD 3.41Å
773P80.4Confident80.4Confident42 Ų4236.9 Ų36.927%0.27320%0.196SC..PPolyproline II helixtrans-69.6144.3-173.230.1-36.7000111.2Q771 Q1012 W1015Q771-P773 WeakPolarHBondContact O-CD 3.47Å; P773-Q1012 HydrophobicContact CG-CG 4.23Å; P773-W1015 HydrophobicContact CB-CH2 4.25Å; P773-W1015 HydrophobicContact CB-CZ3 4Å; P773-W1015 HydrophobicContact CG-CH2 3.84Å; P773-W1015 HydrophobicContact CG-CZ3 3.86Å
774F83.2Confident81.2Confident30 Ų3033 Ų3313%0.13218%0.177CC..PPolyproline II helixtrans-66.4142.8165.4-70.2-76.7000110.4Y669 K672 L676 Y677 W1015Y669-F774 HydrophobicContact CD1-CE1 4.48Å; Y669-F774 HydrophobicContact CD1-CE2 4.25Å; Y669-F774 AromaticContact CD1-CZ 3.61Å; Y669-F774 HydrophobicContact CD1-CZ 3.61Å; Y669-F774 AromaticContact CD2-CE2 3.6Å; Y669-F774 HydrophobicContact CD2-CE2 3.6Å; Y669-F774 AromaticContact CD2-CZ 3.84Å; Y669-F774 HydrophobicContact CD2-CZ 3.84Å; Y669-F774 HydrophobicContact CE1-CE1 4.01Å; Y669-F774 HydrophobicContact CE1-CE2 4.11Å; Y669-F774 AromaticContact CE1-CZ 3.45Å; Y669-F774 HydrophobicContact CE1-CZ 3.45Å; Y669-F774 VanDerWaalsContact CE1-CZ 3.45Å; Y669-F774 HydrophobicContact CE2-CD2 4.24Å; Y669-F774 AromaticContact CE2-CE2 3.44Å; Y669-F774 HydrophobicContact CE2-CE2 3.44Å; Y669-F774 VanDerWaalsContact CE2-CE2 3.44Å; Y669-F774 AromaticContact CE2-CZ 3.7Å; Y669-F774 HydrophobicContact CE2-CZ 3.7Å; Y669-F774 HydrophobicContact CG-CE2 4.01Å; Y669-F774 AromaticContact CG-CZ 3.8Å; Y669-F774 HydrophobicContact CG-CZ 3.8Å; Y669-F774 AromaticContact CZ-CE2 3.72Å; Y669-F774 AromaticContact CZ-CZ 3.5Å; Y669-F774 VanDerWaalsContact CZ-CZ 3.5Å; K672-F774 HydrophobicContact CB-CE2 4.47Å; K672-F774 HydrophobicContact CD-CD2 4.05Å; K672-F774 HydrophobicContact CD-CE2 3.83Å; K672-F774 HydrophobicContact CG-CD2 4.46Å; K672-F774 HydrophobicContact CG-CE2 4.11Å; K672-F774 HydrophobicContact CG-CZ 4.45Å; L676-F774 HydrophobicContact CD2-CB 3.73Å; L676-F774 HydrophobicContact CD2-CD1 3.69Å; L676-F774 HydrophobicContact CD2-CG 3.98Å; Y677-F774 AromaticContact CE2-CD1 3.93Å; Y677-F774 HydrophobicContact CE2-CD1 3.93Å; Y677-F774 HydrophobicContact CE2-CE1 4.04Å; F774-W1015 WeakPolarHBondContact O-CZ3 3.37Å
775Q84.3Confident81.7Confident12 Ų1228.4 Ų28.46%0.05616%0.155CC..PPolyproline II helixtrans-59.2145.6168.370.2-155.258.200110.3Y677 L779 L781 W1015Y677-Q775 HydrophobicContact CE1-CG 4.37Å; Y677-Q775 PolarHBondContact OH-OE1 3.4Å; Q775-L779 WeakPolarHBondContact CG-O 3.41Å; Q775-L779 PolarHBondContact NE2-O 2.88Å; Q775-L781 HydrophobicContact CB-CD1 3.88Å; Q775-L781 HydrophobicContact CB-CG 4.46Å; Q775-W1015 HydrophobicContact CB-CZ2 4.34Å
776P83.7Confident81.6Confident45 Ų4527.8 Ų27.829%0.29216%0.155SC..PPolyproline II helixtrans-55.2144.3176.9-27.135.2000112.6G778 L779 W1015 I1022P776-G778 PolarHBondContact O-N 3.28Å; P776-L779 HydrophobicContact CB-CB 4.24Å; P776-L779 HydrophobicContact CG-CD2 4.34Å; P776-L779 WeakPolarHBondContact O-CB 3.22Å; P776-L779 PolarHBondContact O-N 3.19Å; P776-W1015 HydrophobicContact CG-CB 4.07Å; P776-W1015 HydrophobicContact CG-CD2 4.41Å; P776-W1015 HydrophobicContact CG-CE3 4.18Å; P776-W1015 HydrophobicContact CG-CG 4.39Å; P776-I1022 HydrophobicContact CB-CD1 4.01Å
777Q81.9Confident81.4Confident136 Ų13630.7 Ų30.764%0.63617%0.17SC*.THydrogen-bonded Turntrans-61.3127.5175.9-170.7177.512.800110.2L676L676-Q777 HydrophobicContact CD1-CB 4.11Å; L676-Q777 HydrophobicContact CD1-CG 4.25Å
778G78.7Confident80.6Confident17 Ų1730.4 Ų30.418%0.17517%0.165CC..THydrogen-bonded Turntrans86.8-3.9-173.100000114.9P776 P1023 C1024P776-G778 PolarHBondContact O-N 3.28Å; G778-P1023 CarbonylContact O-C 3.55Å; G778-P1023 WeakPolarHBondContact O-CA 3.38Å; G778-C1024 PolarHBondContact O-N 2.93Å
779L85.3Confident79.4Confident3 Ų335.4 Ų35.42%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-95.5122.7163.1-173.965.4000109.2Q775 P776 L781 W1015 I1022 C1024 I1026Q775-L779 WeakPolarHBondContact CG-O 3.41Å; Q775-L779 PolarHBondContact NE2-O 2.88Å; P776-L779 HydrophobicContact CB-CB 4.24Å; P776-L779 HydrophobicContact CG-CD2 4.34Å; P776-L779 WeakPolarHBondContact O-CB 3.22Å; P776-L779 PolarHBondContact O-N 3.19Å; L779-L781 HydrophobicContact CD1-CD2 4.26Å; L779-L781 HydrophobicContact CD2-CD2 3.85Å; L779-L781 HydrophobicContact CD2-CG 4.35Å; L779-L781 HydrophobicContact CG-CD2 3.87Å; L779-L781 HydrophobicContact CG-CG 4.25Å; L779-W1015 HydrophobicContact CD2-CB 4.05Å; L779-W1015 VanDerWaalsContact CD2-CD1 3.44Å; L779-W1015 HydrophobicContact CD2-CG 3.74Å; L779-I1022 HydrophobicContact CB-CD1 4.21Å; L779-I1022 HydrophobicContact CB-CG1 4.44Å; L779-C1024 WeakPolarHBondContact CA-O 2.86Å; L779-C1024 WeakPolarHBondContact CD1-SG 3.43Å; L779-I1026 HydrophobicContact CD1-CD1 4.29Å; L779-I1026 HydrophobicContact CD1-CG1 4.25Å
780I84.9Confident77.8Confident32 Ų3237.8 Ų37.816%0.16421%0.207CC..EExtended strand (participates in β ladder)trans-106.1142169.5-60.3176.8000108.2P555 T782 C1024 I1025 I1026P555-I780 HydrophobicContact CG-CG2 3.77Å; I780-T782 HydrophobicContact CG2-CG2 4.14Å; I780-C1024 PolarHBondContact N-O 3.36Å; I780-I1025 HydrophobicContact CB-CB 4.21Å; I780-I1025 HydrophobicContact CB-CG1 3.91Å; I780-I1025 HydrophobicContact CB-CG2 3.8Å; I780-I1025 HydrophobicContact CD1-CG1 4.17Å; I780-I1025 HydrophobicContact CG1-CG1 4.44Å; I780-I1025 HydrophobicContact CG2-CG1 4.5Å; I780-I1025 HydrophobicContact CG2-CG2 3.79Å; I780-I1025 CarbonylContact O-C 3.56Å; I780-I1025 WeakPolarHBondContact O-CA 3.29Å; I780-I1026 PolarHBondContact O-N 2.84Å
781L87.4Confident75.5Confident2 Ų243.3 Ų43.31%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-132.3122.6-177.9-57.3173.2000108.5L557 Q775 L779 W1015 I1026 L1029L557-L781 HydrophobicContact CB-CB 3.69Å; L557-L781 HydrophobicContact CB-CD1 4.18Å; L557-L781 HydrophobicContact CD2-CD1 4.28Å; L557-L781 PolarHBondContact N-O 3.24Å; Q775-L781 HydrophobicContact CB-CD1 3.88Å; Q775-L781 HydrophobicContact CB-CG 4.46Å; L779-L781 HydrophobicContact CD1-CD2 4.26Å; L779-L781 HydrophobicContact CD2-CD2 3.85Å; L779-L781 HydrophobicContact CD2-CG 4.35Å; L779-L781 HydrophobicContact CG-CD2 3.87Å; L779-L781 HydrophobicContact CG-CG 4.25Å; L781-W1015 HydrophobicContact CD1-CZ2 3.98Å; L781-I1026 HydrophobicContact CD2-CB 3.91Å; L781-I1026 HydrophobicContact CD2-CD1 3.87Å; L781-I1026 HydrophobicContact CD2-CG1 4.11Å; L781-L1029 HydrophobicContact CD2-CD1 4.32Å
782T90Very high73.4Confident0 Ų045 Ų450%025%0.248CC..  trans-136.3142177.273.80000111.8P555 T626 I780 T784 I1026 N1027 A1028 L1029P555-T782 HydrophobicContact CB-CG2 4.11Å; P555-T782 HydrophobicContact CG-CG2 3.84Å; T626-T782 HydrophobicContact CG2-CG2 3.74Å; T626-T782 WeakPolarHBondContact OG1-CA 3.22Å; I780-T782 HydrophobicContact CG2-CG2 4.14Å; T782-T784 VanDerWaalsContact C-N 3.29Å; T782-T784 WeakPolarHBondContact CB-OG1 3.26Å; T782-T784 PolarHBondContact OG1-O 2.71Å; T782-T784 VanDerWaalsContact OG1-O 3.09Å; T782-T784 PolarHBondContact OG1-OG1 2.98Å; T782-I1026 PolarHBondContact N-O 2.85Å; T782-N1027 CarbonylContact O-C 3.58Å; T782-N1027 PolarHBondContact OG1-OD1 3.48Å; T782-A1028 PolarHBondContact O-N 3.02Å; T782-L1029 WeakPolarHBondContact O-CB 3.31Å; T782-L1029 PolarHBondContact O-N 3.36Å
783T90.8Very high71.1Confident4 Ų451.4 Ų51.43%0.02528%0.282CS..SBendtrans-78.6-17.9167.4600000112.1L557 F606 G607 T626 L1029L557-T783 HydrophobicContact CD1-CG2 3.79Å; F606-T783 PolarHBondContact O-OG1 2.8Å; G607-T783 WeakPolarHBondContact O-CB 3.49Å; G607-T783 PolarHBondContact O-OG1 3.09Å; T626-T783 PolarHBondContact N-OG1 2.91Å; T626-T783 PolarHBondContact OG1-N 3.28Å; T626-T783 PolarHBondContact OG1-OG1 2.86Å; T783-L1029 WeakPolarHBondContact CG2-O 3.38Å
784T88.1Confident68.6Low0 Ų054 Ų540%030%0.302CS..SBendtrans-77.9153.4178.4570000112.5D544 F545 F606 T782 S786 A1028D544-T784 HydrophobicContact CB-CG2 4.49Å; D544-T784 VanDerWaalsContact CG-CB 3.49Å; D544-T784 WeakPolarHBondContact OD1-CA 3.48Å; D544-T784 VanDerWaalsContact OD1-CB 3.25Å; D544-T784 WeakPolarHBondContact OD1-CB 3.44Å; D544-T784 WeakPolarHBondContact OD1-CG2 3.38Å; D544-T784 WeakPolarHBondContact OD2-CB 3.22Å; F545-T784 HydrophobicContact CD2-CG2 4.13Å; F545-T784 HydrophobicContact CE2-CG2 3.66Å; F545-T784 WeakPolarHBondContact CE2-OG1 3.44Å; F545-T784 HydrophobicContact CZ-CG2 3.94Å; F606-T784 HydrophobicContact CB-CG2 4.31Å; T782-T784 VanDerWaalsContact C-N 3.29Å; T782-T784 WeakPolarHBondContact CB-OG1 3.26Å; T782-T784 PolarHBondContact OG1-O 2.71Å; T782-T784 VanDerWaalsContact OG1-O 3.09Å; T782-T784 PolarHBondContact OG1-OG1 2.98Å; T784-S786 WeakPolarHBondContact CB-O 3.43Å; T784-S786 PolarHBondContact OG1-O 3.26Å; T784-A1028 PolarHBondContact O-N 2.94Å
785E80Confident66.1Low41 Ų4159.2 Ų59.219%0.19233%0.329CS..SBendtrans-75.2-34.5170.9-68.6-171-132.800111.5D544 N1027 A1028 L1174 S1175D544-E785 PolarHBondContact OD1-N 3.4Å; D544-E785 PolarHBondContact OD2-N 3.29Å; D544-E785 VanDerWaalsContact OD2-N 3.09Å; E785-N1027 PolarHBondContact O-ND2 2.94Å; E785-A1028 HydrophobicContact CG-CB 4.26Å; E785-L1174 HydrophobicContact CB-CD2 4.24Å; E785-L1174 HydrophobicContact CG-CD2 4.27Å; E785-S1175 VanDerWaalsContact CD-OG 3.24Å; E785-S1175 PolarHBondContact OE1-OG 3.17Å; E785-S1175 WeakPolarHBondContact OE2-CA 3.49Å; E785-S1175 WeakPolarHBondContact OE2-CB 3.38Å; E785-S1175 PolarHBondContact OE2-N 3.11Å; E785-S1175 PolarHBondContact OE2-OG 3.03Å
786S72.5Confident63.4Low25 Ų2565.2 Ų65.218%0.17536%0.36CS..SBendtrans-95.9152.6-178.8620000113.3D544 T784D544-S786 WeakPolarHBondContact OD2-CB 3.36Å; D544-S786 PolarHBondContact OD2-N 2.75Å; D544-S786 PolarHBondContact OD2-OG 2.79Å; T784-S786 WeakPolarHBondContact CB-O 3.43Å; T784-S786 PolarHBondContact OG1-O 3.26Å
787I70.8Confident60.6Low61 Ų6170.2 Ų70.231%0.31339%0.385SS..  trans-111.1135.2174.8-51.7174.7000107.8I789 I1025 N1027I787-I789 PolarHBondContact O-N 2.77Å; I787-I1025 HydrophobicContact CD1-CB 4.18Å; I787-I1025 HydrophobicContact CD1-CD1 4.09Å; I787-I1025 HydrophobicContact CD1-CG1 3.99Å; I787-I1025 HydrophobicContact CD1-CG2 3.86Å; I787-I1025 HydrophobicContact CG1-CG2 4.48Å; I787-N1027 WeakPolarHBondContact CG1-ND2 3.31Å
788P58.2Low58.2Low27 Ų2771.1 Ų71.118%0.17539%0.394CS..  trans-65123.5173.427-34.1000111.2F545 I551 P555 S790F545-P788 HydrophobicContact CE2-CG 4.43Å; I551-P788 HydrophobicContact CB-CB 3.86Å; I551-P788 HydrophobicContact CB-CG 4.49Å; I551-P788 HydrophobicContact CD1-CB 3.81Å; I551-P788 HydrophobicContact CD1-CG 4.39Å; I551-P788 HydrophobicContact CG1-CB 4.45Å; I551-P788 HydrophobicContact CG2-CB 3.78Å; I551-P788 HydrophobicContact CG2-CG 3.87Å; P555-P788 HydrophobicContact CG-CG 4.24Å; P788-S790 PolarHBondContact O-N 3.39Å
789I51.1Low55.8Low147 Ų14777.7 Ų77.775%0.75443%0.425SS*.  trans-82111.4174.6-57.5175.5000108.5I787 N791I787-I789 PolarHBondContact O-N 2.77Å; I789-N791 PolarHBondContact O-N 2.69Å
790S44.6Very low53.3Low63 Ų6385 Ų8544%0.44146%0.464SS..  trans-68.2109.7174.152.50000110.8P788 D792P788-S790 PolarHBondContact O-N 3.39Å; S790-D792 PolarHBondContact O-N 3.13Å
791N34.4Very low50.5Low126 Ų12691.3 Ų91.367%0.67450%0.498SS*.  trans-76.759.7-179.1-85.3-47.2000113.1I789 N793 S794I789-N791 PolarHBondContact O-N 2.69Å; N791-N793 PolarHBondContact O-N 3Å; N791-S794 PolarHBondContact O-OG 3.48Å
792D33.7Very low47.6Very low114 Ų11495.7 Ų95.761%0.6153%0.529SS*.  trans-695.7-178.3-73.4-3.4000114.2S790 S794S790-D792 PolarHBondContact O-N 3.13Å; D792-S794 PolarHBondContact O-N 3.33Å; D792-S794 VanDerWaalsContact O-N 3.13Å
793N29Very low44.6Very low153 Ų153102.2 Ų102.282%0.81857%0.569SS**THydrogen-bonded Turntrans-76.613.7179.4-74.1-33.7000114.8N791N791-N793 PolarHBondContact O-N 3Å
794S29Very low41.7Very low97 Ų97108.7 Ų108.768%0.67860%0.602SS**THydrogen-bonded Turntrans-118.7-1.8-169.455.60000115.8N791 D792N791-S794 PolarHBondContact O-OG 3.48Å; D792-S794 PolarHBondContact O-N 3.33Å; D792-S794 VanDerWaalsContact O-N 3.13Å
795I29.6Very low38.7Very low138 Ų138115.5 Ų115.571%0.70864%0.639SS**SBendtrans-126.838.8-170.3-35.1-179.1000112.3
796I27.8Very low36.2Very low139 Ų139121 Ų12171%0.71367%0.67SS**  trans-118.29.1-174.3-57.7179.9000112
797N25.8Very low34Very low150 Ų150124.3 Ų124.380%0.80269%0.693SS**  trans-117.87.2-164.6-11757.9000116.8
798D30.7Very low31.9Very low155 Ų155129.2 Ų129.283%0.82971%0.712SS**  trans-103.7122.1174.6-70.1-54.9000111.2D800D798-D800 PolarHBondContact O-N 2.91Å
799N27.2Very low30.4Very low154 Ų154133.8 Ų133.882%0.82474%0.739SS**  trans-89.696-178.6-74.1-70.1000110.9
800D32.8Very low29.4Very low156 Ų156132.3 Ų132.383%0.83473%0.727SS**  trans-134.6116.5166.2-104.8-45.8000112.7D798 S802D798-D800 PolarHBondContact O-N 2.91Å; D800-S802 PolarHBondContact O-N 3.05Å
801N26.6Very low28.7Very low166 Ų166132.5 Ų132.589%0.88872%0.723SS**  trans-96.586.9-175.5-82.9-61.5000111.3
802S27.2Very low28.6Very low94 Ų94131.6 Ų131.666%0.65771%0.714SS**  trans-147.2122163.357.90000115.1D800D800-S802 PolarHBondContact O-N 3.05Å
803T26.7Very low28.3Very low137 Ų137130.2 Ų130.284%0.8471%0.714SS**  trans33.695.9147.355.90000119.2
804L29.2Very low28.1Very low139 Ų139128.4 Ų128.473%0.72871%0.713SS**  trans-138.7108.9159.4-149.682.2000112.6
805N26.5Very low28.1Very low143 Ų143128.7 Ų128.777%0.76571%0.706SS**  trans-87.1139.1176.4-86.1-44.5000112.2S807N805-S807 PolarHBondContact O-N 2.78Å
806N25.8Very low27.7Very low157 Ų157128 Ų12884%0.8471%0.71SS**SBendtrans44.767.5150.8-62-20000118.7
807S26.2Very low27.7Very low94 Ų94125.5 Ų125.566%0.65770%0.701SS**  trans-159.2-0.8165.742.20000118.2N805 V809N805-S807 PolarHBondContact O-N 2.78Å; S807-V809 PolarHBondContact O-N 3.04Å; S807-V809 VanDerWaalsContact O-N 3.13Å
808K27.5Very low27.6Very low164 Ų164123.6 Ų123.671%0.71370%0.7SS**  trans-81.989.9-179.1-71-173.5175.9-179.10113.2F810K808-F810 HydrophobicContact CB-CD2 4.36Å; K808-F810 HydrophobicContact CB-CE2 3.88Å; K808-F810 HydrophobicContact CD-CE2 4.32Å; K808-F810 HydrophobicContact CD-CZ 4.45Å
809V27.6Very low27.3Very low123 Ų123123.5 Ų123.575%0.74570%0.696SS**  trans-94.7102.6169.7-178.80000109.9S807S807-V809 PolarHBondContact O-N 3.04Å; S807-V809 VanDerWaalsContact O-N 3.13Å
810F29.1Very low27.1Very low116 Ų116123 Ų12351%0.50969%0.694SS.*  trans-82.1144.4177.2-69.8-99.6000111.3K808 H812K808-F810 HydrophobicContact CB-CD2 4.36Å; K808-F810 HydrophobicContact CB-CE2 3.88Å; K808-F810 HydrophobicContact CD-CE2 4.32Å; K808-F810 HydrophobicContact CD-CZ 4.45Å; F810-H812 PolarHBondContact O-N 2.95Å
811I30.4Very low26.7Very low67 Ų67120.8 Ų120.834%0.34469%0.69SS.*SBendtrans-77.252.9151-46.9178.9000108.1
812H31.6Very low26.6Very low107 Ų107118.1 Ų118.150%0.49568%0.676SS.*  trans-175.975.9166.5-149.1-94.8000109.8F810 W827F810-H812 PolarHBondContact O-N 2.95Å; H812-W827 AromaticContact CD2-CH2 3.51Å; H812-W827 AromaticContact CD2-CZ2 3.39Å; H812-W827 WeakPolarHBondContact CD2-CZ2 3.42Å; H812-W827 AromaticContact NE2-CH2 3.65Å; H812-W827 AromaticContact NE2-CZ2 3.47Å; H812-W827 WeakPolarHBondContact NE2-CZ2 3.48Å
813S27.4Very low26.4Very low86 Ų86121.7 Ų121.760%0.60168%0.682SS**  trans-149.859.217768.20000112.7
814S26.3Very low26.4Very low115 Ų115120.6 Ų120.680%0.80468%0.675SS**SBendtrans-107.4-22.5171.1-54.60000113.1
815I27.8Very low26.2Very low102 Ų102120 Ų12052%0.52367%0.667SS.*SBendtrans-142.1133.2-179.2-56179.7000108.1V817I815-V817 HydrophobicContact CG2-CG2 4.14Å
816P22.4Very low26.3Very low124 Ų124117.4 Ų117.481%0.80565%0.653SS**  trans-83.3124.517232.5-30.9000110.6
817V27.7Very low26.7Very low87 Ų87115 Ų11553%0.52763%0.632SS.*  trans-127.484.2170.8-173.50000110I815 M819 F825I815-V817 HydrophobicContact CG2-CG2 4.14Å; V817-M819 HydrophobicContact CG1-CB 4.45Å; V817-F825 HydrophobicContact CB-CZ 4.36Å; V817-F825 HydrophobicContact CG1-CZ 4.25Å; V817-F825 HydrophobicContact CG2-CZ 4.06Å
818S21.9Very low27.4Very low110 Ų110114 Ų11477%0.76962%0.62SS**  trans-83.294.7149.954.60000108.2
819M24.7Very low28.6Very low153 Ų153109 Ų10975%0.75460%0.597SS**  trans-160.6140.8160.4-99.3-56.4156.400110.1V817V817-M819 HydrophobicContact CG1-CB 4.45Å
820N24Very low30Very low143 Ų143108.4 Ų108.477%0.76559%0.586SS**  trans1.4137.8171.4-60.1-19.9000121.3N822N820-N822 PolarHBondContact O-N 3.18Å
821S23.8Very low31.5Very low109 Ų109103.7 Ų103.776%0.76257%0.567SS**THydrogen-bonded Turntrans-56.6115.8165530000112.9
822N23.8Very low33.2Very low110 Ų110103.5 Ų103.559%0.58857%0.567SS**THydrogen-bonded Turntrans174.3-13.5136.9-90.3-12.3000113.2L402 N820 V824L402-N822 HydrophobicContact CD1-CB 4.37Å; L402-N822 WeakPolarHBondContact CD2-OD1 3.33Å; N820-N822 PolarHBondContact O-N 3.18Å; N822-V824 PolarHBondContact O-N 2.99Å
823E23.9Very low35.1Very low170 Ų170100.7 Ų100.779%0.79456%0.559SS**  trans-82.7116.7-178.2-66.4-176.7178.500112.3F825E823-F825 PolarHBondContact O-N 2.9Å
824V27.2Very low37.5Very low113 Ų11397.6 Ų97.669%0.68554%0.535SS*.  trans-78.5115.3167.3177.50000107.5N822 N826N822-V824 PolarHBondContact O-N 2.99Å; V824-N826 PolarHBondContact O-N 3.4Å
825F25.4Very low39.7Very low126 Ų12694 Ų9455%0.55351%0.507SS*.  trans-63.2101.6179.3-90.4-89.3000111.1V817 E823 W827V817-F825 HydrophobicContact CB-CZ 4.36Å; V817-F825 HydrophobicContact CG1-CZ 4.25Å; V817-F825 HydrophobicContact CG2-CZ 4.06Å; E823-F825 PolarHBondContact O-N 2.9Å; F825-W827 VanDerWaalsContact O-CD1 3.28Å; F825-W827 PolarHBondContact O-N 2.91Å
826N28.9Very low42.1Very low89 Ų8992.3 Ų92.348%0.47649%0.493SS..  trans-79.2103.2-179-143.221.7000109.4V824 N828V824-N826 PolarHBondContact O-N 3.4Å; N826-N828 PolarHBondContact O-N 2.89Å; N826-N828 VanDerWaalsContact O-N 3.13Å
827W33.5Very low44.6Very low106 Ų10687.5 Ų87.540%0.40246%0.462SS..  trans-73.9102.8-178-74.980.9000110.4H812 F825 Y829 P1052 N1179H812-W827 AromaticContact CD2-CH2 3.51Å; H812-W827 AromaticContact CD2-CZ2 3.39Å; H812-W827 WeakPolarHBondContact CD2-CZ2 3.42Å; H812-W827 AromaticContact NE2-CH2 3.65Å; H812-W827 AromaticContact NE2-CZ2 3.47Å; H812-W827 WeakPolarHBondContact NE2-CZ2 3.48Å; F825-W827 VanDerWaalsContact O-CD1 3.28Å; F825-W827 PolarHBondContact O-N 2.91Å; W827-Y829 HydrophobicContact CB-CD2 3.89Å; W827-Y829 HydrophobicContact CB-CE1 4.42Å; W827-Y829 HydrophobicContact CB-CE2 3.33Å; W827-Y829 HydrophobicContact CE3-CE1 4.15Å; W827-Y829 HydrophobicContact CG-CE2 4.1Å; W827-Y829 AromaticContact CG-CZ 3.99Å; W827-Y829 VanDerWaalsContact O-CD2 3.27Å; W827-Y829 WeakPolarHBondContact O-CD2 3.17Å; W827-Y829 PolarHBondContact O-N 2.88Å; W827-P1052 HydrophobicContact CE3-CB 3.75Å; W827-P1052 HydrophobicContact CZ3-CB 3.76Å; W827-P1052 HydrophobicContact CZ3-CG 4.18Å; W827-N1179 PolarHBondContact O-ND2 2.98Å
828N39.7Very low46.8Very low74 Ų7485 Ų8540%0.39644%0.444SS..  trans-66101.3168.1-77.3-31.7000109.9N826 T1053 N1179N826-N828 PolarHBondContact O-N 2.89Å; N826-N828 VanDerWaalsContact O-N 3.13Å; N828-T1053 VanDerWaalsContact CB-OG1 3.25Å; N828-T1053 WeakPolarHBondContact CB-OG1 3.47Å; N828-T1053 PolarHBondContact O-N 3.01Å; N828-T1053 PolarHBondContact O-OG1 2.86Å; N828-T1053 VanDerWaalsContact O-OG1 3.11Å; N828-N1179 WeakPolarHBondContact CA-ND2 3.46Å
829Y52.6Low49.2Very low59 Ų5981.8 Ų81.823%0.23142%0.417CS..EExtended strand (participates in β ladder)trans-94.9137.3174.3-69.7-71.1000111W827 I1025 L1050 H1051 P1052 P1178W827-Y829 HydrophobicContact CB-CD2 3.89Å; W827-Y829 HydrophobicContact CB-CE1 4.42Å; W827-Y829 HydrophobicContact CB-CE2 3.33Å; W827-Y829 HydrophobicContact CE3-CE1 4.15Å; W827-Y829 HydrophobicContact CG-CE2 4.1Å; W827-Y829 AromaticContact CG-CZ 3.99Å; W827-Y829 VanDerWaalsContact O-CD2 3.27Å; W827-Y829 WeakPolarHBondContact O-CD2 3.17Å; W827-Y829 PolarHBondContact O-N 2.88Å; Y829-I1025 HydrophobicContact CE1-CD1 4.28Å; Y829-L1050 HydrophobicContact CD1-CB 4.32Å; Y829-H1051 CarbonylContact C-O 3.54Å; Y829-H1051 WeakPolarHBondContact CA-O 3.39Å; Y829-P1052 HydrophobicContact CE1-CB 4.44Å; Y829-P1178 HydrophobicContact CD2-CB 4.47Å
830Q57.2Low51.4Low110 Ų11076.3 Ų76.351%0.51439%0.392SS..EExtended strand (participates in β ladder)trans-97.7131.8161-94.31791300110.2H1051 T1053Q830-H1051 WeakPolarHBondContact CB-CE1 3.08Å; Q830-H1051 PolarHBondContact N-O 2.86Å; Q830-H1051 PolarHBondContact O-N 2.81Å; Q830-H1051 VanDerWaalsContact O-N 3.11Å; Q830-H1051 PolarHBondContact O-ND1 3.02Å; Q830-T1053 HydrophobicContact CB-CG2 3.91Å; Q830-T1053 HydrophobicContact CG-CG2 3.52Å
831S61.8Low53.5Low18 Ų1874.9 Ų74.913%0.12638%0.381CS..EExtended strand (participates in β ladder)trans-104.7125.9-174.851.40000112.4I1049S831-I1049 CarbonylContact C-O 3.54Å; S831-I1049 WeakPolarHBondContact CA-O 3.35Å
832N65.7Low55.4Low63 Ų6370 Ų7034%0.33735%0.346SS..EExtended strand (participates in β ladder)trans-128.7116.3171.9-69.6-58.2000110.6I1049N832-I1049 HydrophobicContact CB-CB 4.49Å; N832-I1049 PolarHBondContact N-O 2.94Å; N832-I1049 WeakPolarHBondContact O-CB 3.31Å; N832-I1049 PolarHBondContact O-N 2.85Å
833S72.6Confident56.9Low48 Ų4869.2 Ų69.234%0.33635%0.346SS..EExtended strand (participates in β ladder)trans-66.6150.3166.759.30000111.5G1047 L1171S833-G1047 WeakPolarHBondContact CA-O 3.35Å; S833-L1171 WeakPolarHBondContact CB-O 3.23Å; S833-L1171 PolarHBondContact OG-O 3.18Å
834F77.1Confident58Low21 Ų2166.7 Ų66.79%0.09234%0.342CS..EExtended strand (participates in β ladder)trans-136.3152.6162.269.9-84.9000111.6R836 T1014 F1018 I1026 L1029 T1046 G1047 I1049F834-R836 HydrophobicContact CD2-CB 4.33Å; F834-T1014 HydrophobicContact CE2-CG2 4.48Å; F834-F1018 HydrophobicContact CB-CZ 3.87Å; F834-F1018 AromaticContact CD1-CE2 3.86Å; F834-F1018 HydrophobicContact CD1-CE2 3.86Å; F834-F1018 AromaticContact CD1-CZ 3.93Å; F834-F1018 HydrophobicContact CD1-CZ 3.93Å; F834-F1018 HydrophobicContact CD2-CE2 4.16Å; F834-F1018 HydrophobicContact CD2-CZ 4.17Å; F834-F1018 HydrophobicContact CE1-CE2 4.05Å; F834-F1018 HydrophobicContact CE2-CE2 4.35Å; F834-F1018 AromaticContact CG-CE2 3.92Å; F834-F1018 HydrophobicContact CG-CE2 3.92Å; F834-F1018 AromaticContact CG-CZ 3.71Å; F834-F1018 HydrophobicContact CG-CZ 3.71Å; F834-F1018 HydrophobicContact CZ-CE2 4.3Å; F834-I1026 HydrophobicContact CE1-CD1 4.22Å; F834-I1026 HydrophobicContact CE1-CG2 3.64Å; F834-I1026 HydrophobicContact CZ-CG2 3.96Å; F834-L1029 HydrophobicContact CZ-CG 4.45Å; F834-T1046 WeakPolarHBondContact O-CA 3.33Å; F834-G1047 WeakPolarHBondContact CD1-O 3.38Å; F834-G1047 PolarHBondContact N-O 2.99Å; F834-G1047 PolarHBondContact O-N 3.44Å; F834-G1047 VanDerWaalsContact O-N 3.14Å; F834-I1049 HydrophobicContact CD1-CD1 3.79Å; F834-I1049 HydrophobicContact CD1-CG1 3.86Å; F834-I1049 HydrophobicContact CE1-CD1 4.43Å; F834-I1049 HydrophobicContact CE1-CG1 4.09Å
835I73.2Confident58.8Low40 Ų4062.6 Ų62.621%0.20532%0.318CS..EExtended strand (participates in β ladder)trans-117.5140156.7-49.1-179.1000106I1044 A1045 T1046 L1214 Q1218 Y1236 L1238I835-I1044 HydrophobicContact CG2-CG2 3.92Å; I835-A1045 CarbonylContact C-O 3.52Å; I835-A1045 WeakPolarHBondContact CA-O 3.27Å; I835-T1046 HydrophobicContact CG1-CG2 4.18Å; I835-T1046 HydrophobicContact CG2-CG2 4.16Å; I835-L1214 HydrophobicContact CD1-CD2 4.23Å; I835-L1214 HydrophobicContact CG2-CD1 4.08Å; I835-Q1218 VanDerWaalsContact CD1-NE2 3.29Å; I835-Y1236 HydrophobicContact CD1-CE1 3.81Å; I835-Y1236 WeakPolarHBondContact CD1-OH 3.35Å; I835-Y1236 HydrophobicContact CG1-CE1 4.31Å; I835-L1238 HydrophobicContact CD1-CD1 4.17Å; I835-L1238 HydrophobicContact CD1-CD2 4.47Å; I835-L1238 HydrophobicContact CD1-CG 4.41Å; I835-L1238 HydrophobicContact CG2-CD1 4.34Å
836R77.3Confident59Low65 Ų6563.8 Ų63.825%0.24533%0.329CS..EExtended strand (participates in β ladder)trans-132.8118171.1-174.5-176.5-174.7133.614.8110.1F834 F1010 L1013 T1014 I1044 A1045F834-R836 HydrophobicContact CD2-CB 4.33Å; R836-F1010 HydrophobicContact CB-CE2 4.22Å; R836-F1010 HydrophobicContact CB-CZ 4.02Å; R836-F1010 VanDerWaalsContact CD-CE2 3.49Å; R836-F1010 HydrophobicContact CG-CE2 3.69Å; R836-F1010 HydrophobicContact CG-CZ 3.99Å; R836-L1013 PolarHBondContact NH1-O 3.25Å; R836-T1014 WeakPolarHBondContact CD-OG1 3.46Å; R836-T1014 VanDerWaalsContact NH1-CA 3.28Å; R836-T1014 VanDerWaalsContact NH1-N 3.17Å; R836-T1014 PolarHBondContact NH1-OG1 2.75Å; R836-I1044 CarbonylContact O-C 3.47Å; R836-I1044 WeakPolarHBondContact O-CA 3.42Å; R836-A1045 PolarHBondContact N-O 3.38Å; R836-A1045 PolarHBondContact O-N 3.38Å
837V74.3Confident59.1Low23 Ų2364 Ų6414%0.13934%0.338CS..EExtended strand (participates in β ladder)trans-90.4143.4164-173.20000108.9Q1042 I1043 I1044 L1210 L1214V837-Q1042 HydrophobicContact CG1-CG 3.91Å; V837-I1043 CarbonylContact C-O 3.56Å; V837-I1044 HydrophobicContact CG1-CG1 4.48Å; V837-I1044 HydrophobicContact CG2-CG1 4.29Å; V837-I1044 HydrophobicContact CG2-CG2 4.35Å; V837-L1210 HydrophobicContact CG1-CD1 4.11Å; V837-L1210 HydrophobicContact CG2-CB 4.5Å; V837-L1214 HydrophobicContact CG2-CD1 4.04Å
838H75.3Confident58.9Low35 Ų3566.8 Ų66.816%0.16235%0.353CS..EExtended strand (participates in β ladder)trans-145.8124.5166.5174.738.6000108.4F1010 I1043H838-F1010 HydrophobicContact CB-CD2 3.37Å; H838-F1010 HydrophobicContact CB-CE2 3.61Å; H838-F1010 AromaticContact CD2-CD2 3.71Å; H838-F1010 AromaticContact CG-CD2 3.9Å; H838-I1043 PolarHBondContact N-O 2.96Å; H838-I1043 PolarHBondContact O-N 3.48Å
839E72.2Confident58.3Low42 Ų4273 Ų7320%0.19638%0.377CS..EExtended strand (participates in β ladder)trans-101.6145.4168.1-172.8-177.9-124.900109T1036 H1040 I1041 I1206 R1245E839-T1036 WeakPolarHBondContact OE1-CB 3.48Å; E839-T1036 PolarHBondContact OE1-OG1 2.93Å; E839-H1040 HydrophobicContact CG-CB 4.22Å; E839-H1040 IonicContact OE1-CD2 2.82Å; E839-H1040 IonicContact OE2-CD2 2.85Å; E839-I1041 WeakPolarHBondContact CA-O 3.4Å; E839-I1206 VanDerWaalsContact CD-CG2 3.47Å; E839-I1206 WeakPolarHBondContact OE2-CG2 3.31Å; E839-R1245 IonicContact OE1-CZ 3.9Å; E839-R1245 IonicContact OE1-NH2 3.83Å; E839-R1245 PolarHBondContact OE1-NH2 2.72Å; E839-R1245 IonicContact OE2-NH2 3.17Å
840T71.1Confident56.9Low38 Ų3877.8 Ų77.823%0.23340%0.402CS..EExtended strand (participates in β ladder)trans-149.8142.5169.3-179.90000110.7L842 A1006 I1041T840-L842 HydrophobicContact CG2-CD2 4.5Å; T840-A1006 HydrophobicContact CG2-CB 3.44Å; T840-A1006 VanDerWaalsContact CG2-CB 3.44Å; T840-I1041 HydrophobicContact CG2-CG2 4.04Å; T840-I1041 PolarHBondContact N-O 2.86Å; T840-I1041 PolarHBondContact O-N 2.84Å
841E66.5Low55.4Low113 Ų11378.8 Ų78.853%0.52842%0.415SS..EExtended strand (participates in β ladder)trans-60.5135.3167.1-165.8-173.5121.900109.5E1039E841-E1039 CarbonylContact C-O 3.58Å; E841-E1039 WeakPolarHBondContact CA-O 3.41Å
842L63.7Low53.5Low7 Ų781.2 Ų81.24%0.03743%0.432CS..  trans-109.295.6174.3-69.4-169.4000109.6M618 T840 V844 A1006 F1035 E1039 I1041M618-L842 HydrophobicContact CE-CB 4.11Å; M618-L842 HydrophobicContact CE-CD1 3.46Å; M618-L842 VanDerWaalsContact CE-CD1 3.46Å; M618-L842 HydrophobicContact CE-CG 4.46Å; M618-L842 HydrophobicContact SD-CD1 4.35Å; T840-L842 HydrophobicContact CG2-CD2 4.5Å; L842-V844 PolarHBondContact O-N 3.26Å; L842-A1006 HydrophobicContact CD2-CB 4.45Å; L842-F1035 HydrophobicContact CD1-CE1 4.24Å; L842-E1039 PolarHBondContact N-O 2.92Å; L842-I1041 HydrophobicContact CD1-CB 3.69Å; L842-I1041 HydrophobicContact CD1-CD1 3.76Å; L842-I1041 HydrophobicContact CD1-CG1 4.31Å; L842-I1041 HydrophobicContact CD1-CG2 3.7Å; L842-I1041 HydrophobicContact CD2-CG2 3.84Å; L842-I1041 HydrophobicContact CG-CB 3.92Å; L842-I1041 HydrophobicContact CG-CG2 3.64Å
843T56.7Low51.6Low94 Ų9482.4 Ų82.458%0.57744%0.438SS*.  trans-51.7134.3164.958.10000110.1S1002T843-S1002 VanDerWaalsContact O-CB 3.31Å; T843-S1002 WeakPolarHBondContact O-CB 3.28Å; T843-S1002 PolarHBondContact O-OG 3.35Å
844V46.4Very low49.3Very low117 Ų11788.5 Ų88.571%0.70946%0.455SS*.  trans-41.3130.4-171.3-176.50000112.8L842 D846L842-V844 PolarHBondContact O-N 3.26Å; V844-D846 PolarHBondContact O-N 2.81Å
845P44Very low46.8Very low27 Ų2791.2 Ų91.218%0.17548%0.476CS..  trans-79.1110.2171.631.5-31.5000110.4M618 S847M618-P845 HydrophobicContact CE-CG 4.28Å; P845-S847 PolarHBondContact O-N 2.86Å
846D30Very low44.4Very low150 Ų15092.9 Ų92.980%0.80249%0.489SS*.  trans-56.4133.5172.7-74.2-44.9000111.4V844V844-D846 PolarHBondContact O-N 2.81Å
847S30.1Very low41.9Very low93 Ų9391.7 Ų91.765%0.6549%0.487SS*.  trans-81.9125.4-176.249.50000111.8P845 F849P845-S847 PolarHBondContact O-N 2.86Å; S847-F849 PolarHBondContact O-N 2.79Å; S847-F849 VanDerWaalsContact O-N 3.13Å
848F29Very low39.7Very low165 Ų16599.2 Ų99.272%0.72451%0.514SS*.  trans-77.599.4173.6-98.5-94.5000111.4
849F26.9Very low37.2Very low205 Ų205101.8 Ų101.890%0.89953%0.529SS*.  trans-131.1123.4135.5-102.5-81.8000107.4S847 T851S847-F849 PolarHBondContact O-N 2.79Å; S847-F849 VanDerWaalsContact O-N 3.13Å; F849-T851 PolarHBondContact O-N 3.1Å
850E24.1Very low35.1Very low160 Ų160106.8 Ų106.875%0.74856%0.563SS**  trans-69.1128.6179.8-78.1-160.293.200112.1
851T24.6Very low33Very low131 Ų131110.3 Ų110.380%0.80458%0.584SS**  trans-150.959.6136-17.50000115.6F849F849-T851 PolarHBondContact O-N 3.1Å
852S23.9Very low31.5Very low69 Ų69110.4 Ų110.448%0.48360%0.595SS.*  trans75.5157.6132.5780000124K735K735-S852 PolarHBondContact NZ-OG 2.86Å
853I24.6Very low29.7Very low87 Ų87116.3 Ų116.345%0.44663%0.631SS.*  trans87.495.2163.3-56.1-173.3000119.1N732N732-I853 VanDerWaalsContact OD1-CD1 3.28Å; N732-I853 WeakPolarHBondContact OD1-CD1 3.35Å
854Y23.6Very low28Very low176 Ų176120.3 Ų120.369%0.6964%0.64SS**  trans16.2125.4133.5-55.8-84.2000121.4N728N728-Y854 PolarHBondContact ND2-O 2.89Å
855S24.8Very low26.9Very low78 Ų78120.7 Ų120.755%0.54564%0.643SS.*  -160.8138.2102.8-167.90000112.2
856T23.4Very low26.3Very low76 Ų76124.5 Ų124.547%0.46667%0.668SS.*  trans-74.6172.9162.549.20000111.2H996T856-H996 WeakPolarHBondContact CA-NE2 3.26Å; T856-H996 WeakPolarHBondContact CG2-CE1 3.44Å; T856-H996 WeakPolarHBondContact CG2-NE2 3.42Å
857N24.4Very low26Very low39 Ų39123.2 Ų123.221%0.20967%0.665CS.*  157.2154.8117.4-77.9-32.1000116.4I725 N726I725-N857 WeakPolarHBondContact CA-OD1 3.45Å; I725-N857 HydrophobicContact CB-CB 4.21Å; I725-N857 HydrophobicContact CD1-CB 4.17Å; I725-N857 HydrophobicContact CG1-CB 3.62Å; I725-N857 HydrophobicContact CG2-CB 3.89Å; N726-N857 PolarHBondContact N-ND2 3.44Å; N726-N857 PolarHBondContact OD1-ND2 2.82Å
858Y28.4Very low25.8Very low181 Ų181129 Ų12971%0.7167%0.674SS**  trans97.395.3174-66.5-80.1000119.9I725I725-Y858 HydrophobicContact CD1-CD1 3.2Å; I725-Y858 HydrophobicContact CD1-CD2 3.82Å; I725-Y858 HydrophobicContact CD1-CE1 3.23Å; I725-Y858 HydrophobicContact CD1-CE2 3.85Å; I725-Y858 HydrophobicContact CD1-CG 3.48Å; I725-Y858 VanDerWaalsContact CD1-CG 3.48Å; I725-Y858 HydrophobicContact CG2-CE2 4.17Å
859N22.8Very low25.6Very low90 Ų90130.7 Ų130.748%0.48168%0.678SS.*  trans-71.6162.1152.2-62.5-66.3000111.6D724D724-N859 PolarHBondContact OD1-ND2 2.81Å; D724-N859 WeakPolarHBondContact OD2-CB 3.47Å; D724-N859 PolarHBondContact OD2-N 2.84Å; D724-N859 PolarHBondContact OD2-ND2 3.28Å
860T29.3Very low25.5Very low147 Ų147129 Ų12990%0.90267%0.67SS**  trans-158.9135.7132.4-30000109.9
861T25Very low25.5Very low111 Ų111128.1 Ų128.168%0.68167%0.666SS**  trans-120.9-175.9-171.761.90000111
862P36.9Very low25.5Very low116 Ų116126.7 Ų126.775%0.75366%0.661SS**  -130.6157.2-98.736.1-17.1000115.7
863V24Very low25.6Very low130 Ų130130.9 Ų130.979%0.78868%0.678SS**  trans-142.7131.2174.8164.30000113
864F22.8Very low25.6Very low179 Ų179133.9 Ų133.979%0.78569%0.69SS**  trans13.7143.4143.8-58.9-107.5000119.3
865T23.4Very low25.7Very low125 Ų125130.3 Ų130.377%0.76768%0.682SS**  cis-164.5173.812.16.40000111
866P30.8Very low25.7Very low106 Ų106133.9 Ų133.969%0.68869%0.694SS**  trans-101.9-175-162.940.6-38.2000117.4
867T23.7Very low25.8Very low123 Ų123137.3 Ų137.376%0.75571%0.71SS**  trans86.3148.3177.973.70000114.7
868Y25.9Very low25.8Very low214 Ų214141.9 Ų141.984%0.83974%0.739SS**  cis-136.3168.126-118.5-89.1000115.9
869Y24.3Very low25.8Very low202 Ų202139 Ų13979%0.79274%0.741SS**  trans-98.7157.9168.6-109-115.4000111
870K25.1Very low26Very low168 Ų168142.1 Ų142.173%0.7376%0.756SS**  trans177.9120.7136.6-99.4-178.6-179.3-89.10110.1
871E23.9Very low26Very low143 Ų143141 Ų14167%0.66875%0.749SS**  88.3103.975.6-79.5-170.8147.200114.7
872S25Very low26.1Very low100 Ų100141.5 Ų141.570%0.69975%0.752SS**  trans32.4129.3144.762.30000121.4
873N25.6Very low25.7Very low157 Ų157140.1 Ų140.184%0.8475%0.745SS**  -162.7169.9120.3-112.1-52.7000115.7
874H25Very low25.8Very low151 Ų151143 Ų14370%0.69976%0.755SS**  trans-65.1151.8-178.3-84.5-92.5000116.2
875L24.8Very low26.1Very low100 Ų100138.7 Ų138.752%0.52475%0.746SS.*  trans74.4159.3140.5-89.3154.9000120.4
876L24.6Very low26.4Very low154 Ų154136.6 Ų136.681%0.80674%0.742SS**  trans76.2139168.4-69.6150.6000117.2
877N25.1Very low26.2Very low148 Ų148136.5 Ų136.579%0.79174%0.739SS**  trans-50.9145157.6-50.1-32000109.5
878T26.1Very low26.6Very low134 Ų134135.2 Ų135.282%0.82273%0.732SS**  -173.2141.1112.2-70.30000109.7
879T27.4Very low26.7Very low121 Ų121130.7 Ų130.774%0.74273%0.726SS**  trans-57.5140.7171.7-43.10000112.4
880I27.7Very low27Very low156 Ų156127.2 Ų127.280%0.873%0.726SS**  trans-165.8141.1135.6-101.7149.3000109.8
881V27.9Very low27.2Very low124 Ų124125 Ų12575%0.75273%0.726SS**  trans-122.6126.1177.81730000108.8
882T28.6Very low27.5Very low121 Ų121123.5 Ų123.574%0.74273%0.732SS**  trans-152.8107155.1410000106.8
883S27.2Very low27.7Very low87 Ų87123.8 Ų123.861%0.60873%0.734SS**  82.8102.852.379.30000113.8
884L27.6Very low27.8Very low191 Ų191124.2 Ų124.2100%173%0.733SS**  trans-109.3128143.6-106.6165.5000106.1
885S28Very low27.8Very low87 Ų87126 Ų12661%0.60874%0.739SS**  trans-134.6150.6-157.558.30000113.8
886A29.5Very low27.9Very low82 Ų82125.3 Ų125.368%0.67874%0.742SS**  trans-129.854162.100000110.3
887T28Very low28.1Very low103 Ų103125.8 Ų125.863%0.63274%0.74SS**  trans33.4114.9131.747.50000120.3
888T31.4Very low28Very low97 Ų97125.8 Ų125.860%0.59574%0.739SS**  -146.8141.4113.1-74.30000108.7K988T888-K988 PolarHBondContact OG1-NZ 2.94Å
889T28.2Very low28Very low118 Ų118124.5 Ų124.572%0.72474%0.735SS**  trans-86.2170.8-177.348.80000110.9
890V30.6Very low27.8Very low129 Ų129124.9 Ų124.978%0.78274%0.737SS**  -15514669.71700000112.8
891T28.9Very low27.7Very low121 Ų121126.3 Ų126.374%0.74274%0.741SS**  trans-49.5161.3171.345.10000116.5
892S30Very low27.5Very low112 Ų112127.6 Ų127.678%0.78374%0.744SS**  cis-171.9-166-5.252.90000107.9
893S29.8Very low27.4Very low107 Ų107132.8 Ų132.875%0.74875%0.751SS**  cis-156.1-115.315.357.40000113.9
894M27.2Very low27.2Very low166 Ų166136.2 Ų136.282%0.81876%0.758SS**  trans-150.9162.8-178.6-60.8-179.4161.800108.1
895K25.7Very low27.3Very low187 Ų187133.6 Ų133.681%0.81375%0.745SS**  -171.7141.857.1-122.7175.4-173.1176.20112.9
896S26.3Very low27.3Very low86 Ų86136 Ų13660%0.60175%0.75SS**  trans19.3124.7146.558.10000121.9
897H27.9Very low27.5Very low164 Ų164137.3 Ų137.376%0.75975%0.749SS**  177.4133103.8-103.5-82000114.4
898I24.7Very low27.8Very low148 Ų148140 Ų14076%0.75975%0.754SS**  trans64.9153.7144.2-69.6168.6000120.2
899S25.4Very low27.8Very low108 Ų108139 Ų13976%0.75575%0.752SS**  trans84.7114.9165.466.90000119.5
900T23.5Very low28Very low128 Ų128141.3 Ų141.379%0.78576%0.76SS**  trans-46.1131.3155.446.30000114.2
901Q24.9Very low28.2Very low186 Ų186140.8 Ų140.887%0.86976%0.762SS**  -179.4164.6118.2-99.5176.48.500112.3
902N24.5Very low28.2Very low152 Ų152138.3 Ų138.381%0.81376%0.76SS**  trans-57.4143.7-174.6-52.1-26.8000113.7
903Y25.7Very low28.2Very low229 Ų229140.6 Ų140.690%0.89876%0.762SS**  trans-143128.5150.8-107.9-83.7000111.9
904Q23.9Very low28Very low160 Ų160142.5 Ų142.575%0.74876%0.763SS**  trans-103.2168.2157.9-67178.7-62.400108.4
905N28.6Very low27.9Very low136 Ų136141.5 Ų141.573%0.72776%0.76SS**  trans70166.3168.3-43.5-38.9000113.6
906L29.6Very low28.1Very low137 Ų137139.5 Ų139.572%0.71776%0.758SS**  cis-129.3177.53.1-116.8119.7000108.5
907T32.9Very low28.2Very low109 Ų109145 Ų14567%0.66977%0.772SS**  -173162.173.541.70000109.3
908H33.5Very low28.4Very low159 Ų159141.9 Ų141.974%0.73677%0.766SS**  cis-150.61693.4-97.3-54.9000107.1
909S31.5Very low28.6Very low77 Ų77143.5 Ų143.554%0.53877%0.77SS.*  cis175141.4-38.653.70000108.6
910N32.6Very low28.8Very low166 Ų166144.5 Ų144.589%0.88877%0.772SS**  trans-167.4161.7150.8-97.7-22.5000113.3
911S34.6Very low29.3Very low119 Ų119144.2 Ų144.283%0.83277%0.772SS**  trans-48.1157.3-18050.80000117.5
912G29.2Very low29.4Very low68 Ų68141.6 Ų141.670%0.70177%0.769SS**  cis155.6169.7-3.100000114.1
913I30.3Very low29.8Very low160 Ų160140.9 Ų140.982%0.82177%0.771SS**  trans79.798.7167.1-52.7-178.8000119.4
914L25.9Very low29.9Very low148 Ų148140.1 Ų140.178%0.77577%0.766SS**  trans47.9121.8134.4-80.679.4000124.7
915L25.9Very low30.2Very low145 Ų145138 Ų13876%0.75976%0.76SS**  101.9139126.4-75.3174000123.7
916N28Very low30.4Very low144 Ų144137.5 Ų137.577%0.7776%0.757SS**  trans81.8100.2154.8-67.4-7.3000122.8
917F28.6Very low30.5Very low203 Ų203137 Ų13789%0.8976%0.756SS**  trans-39.5173.4136.6-76.7-81.8000115.1
918P32.5Very low30.4Very low98 Ų98138.2 Ų138.264%0.63676%0.756SS**  cis-147.1177.72341.7-20.5000120.4
919Q29.2Very low30Very low182 Ų182137 Ų13785%0.8576%0.756SS**  trans84.2150.2140.3-86.6158.911.200123.6
920T29.2Very low29.7Very low129 Ų129140.4 Ų140.479%0.79177%0.768SS**  trans-111.1177.4176.2570000110.1
921P33.4Very low29.5Very low122 Ų122137.5 Ų137.579%0.79276%0.76SS**  -151.3-175.197.339.9-21.9000115.5
922T27.5Very low29Very low130 Ų130137 Ų13780%0.79876%0.757SS**  trans-106.9154178.351.70000113
923T33Very low28.8Very low138 Ų138138.3 Ų138.385%0.84776%0.755SS**  trans169.3159.7158.525.90000109.3
924R28.7Very low28.5Very low212 Ų212137.8 Ų137.880%0.875%0.754SS**  cis-166.7157.2-32.9-152.2-169.8173.3153.20.9108.9
925N30.6Very low28.6Very low117 Ų117140.6 Ų140.663%0.62676%0.756SS**  trans73.8125155-79.511.9000122
926N31.7Very low28.6Very low125 Ų125142.9 Ų142.967%0.66876%0.755SS**  95.8109.7129.7-67.212.2000122.8
927N31.3Very low28.7Very low127 Ų127144.7 Ų144.768%0.67975%0.753SS**  103.9101.2126.4-68.13.2000121.8
928I31.3Very low28.5Very low133 Ų133140.3 Ų140.368%0.68274%0.739SS**  70.597.4120.8-60.8163.3000118.1
929N25Very low28.5Very low135 Ų135144.5 Ų144.572%0.72274%0.743SS**  61.4136127.1-560.4000123.2
930N25.3Very low28.3Very low148 Ų148145.8 Ų145.879%0.79174%0.742SS**  trans96.3148.3139.1-74.7-2.6000121.9
931S27.8Very low28.3Very low105 Ų105149.8 Ų149.873%0.73474%0.744SS**  trans69.394.7160.641.50000120
932S23.9Very low27.9Very low109 Ų109148.2 Ų148.276%0.76274%0.736SS**  66.6141.9108.7-54.10000122.6
933S25.1Very low28Very low95 Ų95147.9 Ų147.966%0.66473%0.734SS**  trans83.9126.7148.272.30000120.3
934N24.1Very low27.8Very low148 Ų148148.6 Ų148.679%0.79173%0.732SS**  trans41.9111.6136.7-53.8-4.1000119.1
935Y29.5Very low27.8Very low208 Ų208142.9 Ų142.982%0.81673%0.725SS**  trans-121.7113.2140.4-88.8-82.8000111Y937Y935-Y937 HydrophobicContact CD1-CE2 4.17Å
936Y25.6Very low27.8Very low192 Ų192146.9 Ų146.975%0.75374%0.74SS**  trans-86.3137.2168-161.2-99.3000107D938Y936-D938 WeakPolarHBondContact CE1-OD2 3.39Å
937Y30.4Very low27.6Very low183 Ų183149.2 Ų149.272%0.71875%0.747SS**  trans-141.892.6171.7-98.2-65.7000110.7Y935 Y939Y935-Y937 HydrophobicContact CD1-CE2 4.17Å; Y937-Y939 AromaticContact CD1-CD2 3.93Å; Y937-Y939 HydrophobicContact CD1-CD2 3.93Å; Y937-Y939 AromaticContact CD1-CE2 3.96Å; Y937-Y939 HydrophobicContact CD1-CE2 3.96Å; Y937-Y939 HydrophobicContact CE1-CD2 4.36Å; Y937-Y939 AromaticContact CE1-CE2 3.92Å; Y937-Y939 HydrophobicContact CE1-CE2 3.92Å
938D24.4Very low27.5Very low111 Ų111151.7 Ų151.759%0.59476%0.756SS**  trans-68.8139.7151-75.7-41.7000108.8Y936Y936-D938 WeakPolarHBondContact CE1-OD2 3.39Å
939Y30.8Very low27.3Very low186 Ų186150 Ų15073%0.72975%0.752SS**  trans-145.1106.6156.6-109.5-71.2000110.6Y937 Y941Y937-Y939 AromaticContact CD1-CD2 3.93Å; Y937-Y939 HydrophobicContact CD1-CD2 3.93Å; Y937-Y939 AromaticContact CD1-CE2 3.96Å; Y937-Y939 HydrophobicContact CD1-CE2 3.96Å; Y937-Y939 HydrophobicContact CE1-CD2 4.36Å; Y937-Y939 AromaticContact CE1-CE2 3.92Å; Y937-Y939 HydrophobicContact CE1-CE2 3.92Å; Y939-Y941 HydrophobicContact CD1-CD2 4.22Å; Y939-Y941 HydrophobicContact CD1-CE2 4.34Å; Y939-Y941 HydrophobicContact CE1-CE2 4.3Å
940Y25.5Very low27.6Very low208 Ų208149 Ų14982%0.81675%0.751SS**  trans-72.1132.3160-86.4-105.4000109.2
941Y29.9Very low27.8Very low214 Ų214148.4 Ų148.484%0.83975%0.753SS**  trans-147.6155.8149.4-102.7-74.7000109.6Y939Y939-Y941 HydrophobicContact CD1-CD2 4.22Å; Y939-Y941 HydrophobicContact CD1-CE2 4.34Å; Y939-Y941 HydrophobicContact CE1-CE2 4.3Å
942S25.6Very low27.6Very low89 Ų89148.8 Ų148.862%0.62275%0.751SS**  trans-135.9151.9-167.8-56.90000112.6
943T28.1Very low27.9Very low123 Ų123150.9 Ų150.976%0.75575%0.753SS**  trans53.5112.2150.752.60000119.2
944N29.3Very low27.9Very low153 Ų153151.8 Ų151.882%0.81875%0.754SS**  168.6145116.7-83.7-7.3000109.1
945S29.2Very low28Very low92 Ų92149.9 Ų149.964%0.64375%0.753SS**  cis152.7113.7-21.551.10000106
946E30.5Very low28Very low201 Ų201145.8 Ų145.894%0.93976%0.755SS**  trans-132.4152.2159.4-72.3-162.5140.700108.6
947Q27.2Very low28Very low174 Ų174140.9 Ų140.981%0.81375%0.745SS**  trans-124.6142.1-163.4-62.1176.7-52.700113
948M28.7Very low27.9Very low179 Ų179137 Ų13788%0.88275%0.745SS**  trans-147.4106.6134-84.8-164.5167.900107.2
949T28.8Very low28Very low96 Ų96135.2 Ų135.259%0.58974%0.738SS**  62.612476.366.20000113.3
950T29.4Very low27.7Very low116 Ų116134.8 Ų134.871%0.71274%0.74SS**  cis-166.2158.76.54.10000113.5
951T29.3Very low27.7Very low134 Ų134131.6 Ų131.682%0.82274%0.736SS**  trans64.8131.3150.449.40000122.3
952T24.8Very low27.6Very low113 Ų113126 Ų12669%0.69373%0.728SS**  trans-92.3168.8163.849.40000111.7
953L29.3Very low27.7Very low154 Ų154127 Ų12781%0.80674%0.735SS**  176.4122.1129.7-94.8163.1000114.5
954T26.3Very low28.1Very low113 Ų113126.3 Ų126.369%0.69373%0.732SS**  trans21.6121.4143.457.60000122.7
955S26.2Very low28.1Very low109 Ų109124.5 Ų124.576%0.76273%0.732SS**  trans46124.2132.967.30000122.2
956S29Very low28.3Very low122 Ų122125.9 Ų125.985%0.85374%0.742SS**  178.6175.7123.844.40000112.3
957T25Very low28.4Very low88 Ų88121.7 Ų121.754%0.5473%0.734SS.*  trans-122.4111.7-158.853.40000114.7N749N749-T957 HydrophobicContact CB-CG2 3.8Å; N749-T957 WeakPolarHBondContact ND2-CB 3.44Å; N749-T957 VanDerWaalsContact ND2-CG2 3.31Å; N749-T957 WeakPolarHBondContact ND2-CG2 3.32Å
958S29.5Very low28.8Very low103 Ų103118.8 Ų118.872%0.7273%0.73SS**  trans-179.4115156.752.40000111.2
959T24.9Very low28.9Very low73 Ų73115.1 Ų115.145%0.44872%0.723SS.*  64129.583.7-11.70000119H748H748-T959 PolarHBondContact CE1-OG1 2.84Å; H748-T959 WeakPolarHBondContact NE2-CG2 3.44Å; H748-T959 PolarHBondContact NE2-OG1 3.05Å
960F25.4Very low29Very low177 Ų177115 Ų11578%0.77673%0.726SS**  trans69.6106.9154.4-67.4-45.4000123.6
961I24.5Very low29Very low141 Ų141116.5 Ų116.572%0.72373%0.729SS**  81.1143.7121-71.9168.3000121.6
962S28.1Very low28.8Very low96 Ų96114.7 Ų114.767%0.67172%0.722SS**  trans71.896163.451.70000121
963S29.3Very low28.9Very low111 Ų111117.4 Ų117.478%0.77673%0.732SS**  24.9164.9103.670.20000121
964P35Very low28.5Very low107 Ų107115.2 Ų115.270%0.69573%0.729SS**  cis-139.11676.443.3-25.8000118.4
965S30Very low28.6Very low115 Ų115118 Ų11880%0.80474%0.738SS**  trans47.8136.6139.868.70000124.3
966S34.1Very low28.5Very low122 Ų122120.2 Ų120.285%0.85374%0.736SS**  trans-139.6131.8143.960.30000110.8
967S30.7Very low28.3Very low113 Ų113120.5 Ų120.579%0.7973%0.728SS**  trans-108.2-178.5178.360.30000111.9
968P35.7Very low28.4Very low112 Ų112123.4 Ų123.473%0.72774%0.74SS**  -148.3154.497.840.3-24.6000117
969S31.2Very low28.2Very low103 Ų103124.5 Ų124.572%0.7274%0.738SS**  trans24.6144.714462.10000122
970S32.1Very low28.1Very low93 Ų93127.4 Ų127.465%0.6575%0.75SS**  cis-172.1161.613.529.40000113.6
971N28.9Very low28.1Very low147 Ų147129.2 Ų129.279%0.78675%0.754SS**  trans64.1109.8159.4-56.4-7.4000117.2
972S24.8Very low28.2Very low97 Ų97133.3 Ų133.368%0.67876%0.762SS**  cis82.9101.945.881.50000115.5
973L26.7Very low28Very low170 Ų170135.7 Ų135.789%0.8977%0.767SS**  179.6134.4119.5-98.9155.2000111.2
974S22.1Very low27.8Very low107 Ų107138.2 Ų138.275%0.74877%0.766SS**  trans-94.6140.4174.954.20000111.4
975I26.4Very low27.4Very low171 Ų171138.5 Ų138.588%0.87777%0.771SS**  trans-145.8152.4160.4-102.8151.4000110
976H25.1Very low27.2Very low157 Ų157139.8 Ų139.873%0.72777%0.767SS**  trans-64.7159.5-173.6-98.4-75.1000115.6
977N24.2Very low26.7Very low127 Ų127139.8 Ų139.868%0.67976%0.762SS**  trans28.5120.4143.1-53.17.3000117.7
978N26.9Very low26.6Very low150 Ų150141.6 Ų141.680%0.80276%0.756SS**  -157.1161.6104.8-113.3-53.2000115.6
979N25.2Very low26.1Very low126 Ų126140.9 Ų140.967%0.67475%0.75SS**  trans-57155.6-178.6-63.1-81.2000114.9
980N24Very low25.7Very low133 Ų133144.4 Ų144.471%0.71175%0.752SS**  trans41.2112.7141.1-57.6-23.8000118.7
981Y25.3Very low25.3Very low215 Ų215148.2 Ų148.284%0.84376%0.759SS**  -177.5105.1118.7-96.6-66.6000110
982Y26.5Very low25.3Very low227 Ų227148.7 Ų148.789%0.8976%0.757SS**  -169.6134.6107.9-113.4-80.8000110.2
983N23.5Very low25.2Very low146 Ų146152.1 Ų152.178%0.78177%0.767SS**  trans-145.3170.5-178.5-153-25.5000107.6
984Q25.5Very low25.1Very low164 Ų164149.2 Ų149.277%0.76676%0.757SS**  trans74.6100.2177-50.6179.3-5.300118.2
985S27.2Very low25.3Very low114 Ų114150.5 Ų150.580%0.79776%0.755SS**  -152.9102.7107.439.60000108.9
986I24.3Very low25.3Very low141 Ų141146.9 Ų146.972%0.72373%0.734SS**  71.781.589.7-65.4161.8000110.3
987V25Very low25.2Very low122 Ų122145.4 Ų145.474%0.73974%0.74SS**  89.9110.975.4164.70000113.8
988K28Very low25.2Very low151 Ų151145.6 Ų145.666%0.65774%0.739SS**  trans-171.891.8145.7-101.3174.2-175-164.80107.8T888T888-K988 PolarHBondContact OG1-NZ 2.94Å
989T24.5Very low25.5Very low98 Ų98143.9 Ų143.960%0.60173%0.73SS**  61.5131.591.762.10000114.3
990K23.8Very low26.1Very low177 Ų177141.1 Ų141.177%0.7773%0.732SS**  cis-172.11374.4-118.5173.1-179-178.70109.4
991Q23.7Very low27.4Very low172 Ų172135.5 Ų135.580%0.80470%0.702SS**  trans152157.2136.6-87.6178.4-44.800113.8
992H28.2Very low29.4Very low158 Ų158126.2 Ų126.273%0.73167%0.668SS**  trans48.783.6170.2-69.3-69.1000118.7
993N23.5Very low31.8Very low168 Ų168115.7 Ų115.790%0.89863%0.627SS**  trans-134.583.1149.9-138.1-0.8000107.6
994T25.2Very low34.4Very low109 Ų109109 Ų10967%0.66959%0.592SS**  trans-160.3139.3-174.94.50000112.8
995L26.1Very low36.9Very low135 Ų135106.4 Ų106.471%0.70758%0.579SS**  trans72.6111.2170.4-77.984.4000119.7
996H25.6Very low39.4Very low95 Ų95101.1 Ų101.144%0.4454%0.542SS..  trans74.8119.9130.8-87.9-92.3000122.3T856 I998T856-H996 WeakPolarHBondContact CA-NE2 3.26Å; T856-H996 WeakPolarHBondContact CG2-CE1 3.44Å; T856-H996 WeakPolarHBondContact CG2-NE2 3.42Å; H996-I998 PolarHBondContact O-N 3.06Å
997C22.5Very low42.2Very low126 Ų12694.4 Ų94.485%0.85151%0.507SS*.  trans-56.789.415939.20000113.3
998I25.5Very low45Very low130 Ų13090 Ų9067%0.66748%0.477SS*.  trans-143130.7160.5-48.5177.6000107.7H996H996-I998 PolarHBondContact O-N 3.06Å
999N32.3Very low47.6Very low114 Ų11486.5 Ų86.561%0.6146%0.463SS*.  trans109.374.2163.4-59.1-62.4000120.2N1001N999-N1001 HydrophobicContact CB-CB 3.67Å; N999-N1001 PolarHBondContact O-N 3.32Å; N999-N1001 PolarHBondContact OD1-ND2 2.92Å
1000G37Very low50.5Low69 Ų6981.9 Ų81.971%0.71144%0.435SS*.SBendtrans-71.553.5151.400000112.8
1001N52.1Low53.5Low15 Ų1574.2 Ų74.28%0.0840%0.402CS..  trans-145.52.5-143.1-114.6-13000118.7Q771 N999 G1004 K1005 R1008Q771-N1001 PolarHBondContact OE1-ND2 2.99Å; N999-N1001 HydrophobicContact CB-CB 3.67Å; N999-N1001 PolarHBondContact O-N 3.32Å; N999-N1001 PolarHBondContact OD1-ND2 2.92Å; N1001-G1004 CarbonylContact O-C 3.57Å; N1001-G1004 PolarHBondContact O-N 3.39Å; N1001-K1005 WeakPolarHBondContact O-CB 3.46Å; N1001-K1005 PolarHBondContact O-N 2.95Å; N1001-R1008 PolarHBondContact ND2-NH2 3.17Å; N1001-R1008 VanDerWaalsContact OD1-CZ 3.28Å; N1001-R1008 PolarHBondContact OD1-NH1 3.22Å; N1001-R1008 PolarHBondContact OD1-NH2 3.1Å
1002S67.8Low56.4Low20 Ų2070.5 Ų70.514%0.1439%0.385CS..Hα-helixtrans-61.7-62.7-178.457.10000112.2T843 G1004 K1005 A1006T843-S1002 VanDerWaalsContact O-CB 3.31Å; T843-S1002 WeakPolarHBondContact O-CB 3.28Å; T843-S1002 PolarHBondContact O-OG 3.35Å; S1002-G1004 PolarHBondContact O-N 3.25Å; S1002-K1005 PolarHBondContact O-N 2.88Å; S1002-A1006 PolarHBondContact O-N 3.05Å
1003L76.7Confident59.1Low5 Ų566.7 Ų66.73%0.02637%0.37CS..Hα-helixtrans-60.9-30.6172-179.961000112.6R561 V562 C563 A620 L1007 L1033 I1041R561-L1003 HydrophobicContact CB-CD2 4.46Å; V562-L1003 WeakPolarHBondContact O-CD2 3.37Å; C563-L1003 HydrophobicContact CB-CB 4.25Å; C563-L1003 HydrophobicContact CB-CD2 3.94Å; A620-L1003 HydrophobicContact CB-CD2 4Å; L1003-L1007 HydrophobicContact CD1-CD1 3.89Å; L1003-L1007 HydrophobicContact CD1-CG 4.15Å; L1003-L1007 HydrophobicContact CG-CD1 3.99Å; L1003-L1007 PolarHBondContact O-N 3.32Å; L1003-L1007 VanDerWaalsContact O-N 3.11Å; L1003-L1033 HydrophobicContact CD1-CD1 4.34Å; L1003-I1041 HydrophobicContact CD1-CD1 4.15Å
1004G77Confident61.8Low5 Ų559 Ų595%0.05233%0.329CS..Hα-helixtrans-68.3-39.417800000113.8R561 N1001 S1002 R1008R561-G1004 VanDerWaalsContact NE-CA 3.32Å; N1001-G1004 CarbonylContact O-C 3.57Å; N1001-G1004 PolarHBondContact O-N 3.39Å; S1002-G1004 PolarHBondContact O-N 3.25Å; G1004-R1008 WeakPolarHBondContact O-CB 3.27Å; G1004-R1008 VanDerWaalsContact O-CG 3.24Å; G1004-R1008 WeakPolarHBondContact O-CG 3.36Å; G1004-R1008 PolarHBondContact O-N 3.32Å; G1004-R1008 PolarHBondContact O-NE 2.74Å
1005K78Confident64.6Low111 Ų11155.2 Ų55.248%0.48330%0.303SS..Hα-helixtrans-69.1-50174.1179.5-172.8169.9-162.80109.7N1001 S1002 L1007 R1008 E1009N1001-K1005 WeakPolarHBondContact O-CB 3.46Å; N1001-K1005 PolarHBondContact O-N 2.95Å; S1002-K1005 PolarHBondContact O-N 2.88Å; K1005-L1007 PolarHBondContact O-N 2.99Å; K1005-R1008 PolarHBondContact O-N 2.81Å; K1005-R1008 VanDerWaalsContact O-N 3.13Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.37Å; K1005-E1009 HydrophobicContact CG-CG 4.24Å; K1005-E1009 WeakPolarHBondContact CG-OE1 3.34Å; K1005-E1009 WeakPolarHBondContact O-CB 3.17Å; K1005-E1009 WeakPolarHBondContact O-CG 3.45Å; K1005-E1009 PolarHBondContact O-N 3.42Å
1006A80.6Confident67.4Low2 Ų253.1 Ų53.12%0.01729%0.288CS..Hα-helixtrans-46.9-56.2175.800000112.6T840 L842 S1002 R1008 E1009 F1010 I1043T840-A1006 HydrophobicContact CG2-CB 3.44Å; T840-A1006 VanDerWaalsContact CG2-CB 3.44Å; L842-A1006 HydrophobicContact CD2-CB 4.45Å; S1002-A1006 PolarHBondContact O-N 3.05Å; A1006-R1008 PolarHBondContact O-N 3.18Å; A1006-E1009 PolarHBondContact O-N 2.85Å; A1006-F1010 VanDerWaalsContact O-CB 3.26Å; A1006-F1010 WeakPolarHBondContact O-CB 3.37Å; A1006-F1010 PolarHBondContact O-N 3.37Å; A1006-I1043 HydrophobicContact CB-CD1 3.9Å
1007L83.4Confident70.1Confident1 Ų157.2 Ų57.21%0.00530%0.299CS..Hα-helixtrans-69.2-34.1-178.8-69.6166.6000113.2R561 I622 L1003 K1005 N1011 I1043R561-L1007 HydrophobicContact CB-CD1 3.99Å; I622-L1007 HydrophobicContact CG2-CD1 3.82Å; L1003-L1007 HydrophobicContact CD1-CD1 3.89Å; L1003-L1007 HydrophobicContact CD1-CG 4.15Å; L1003-L1007 HydrophobicContact CG-CD1 3.99Å; L1003-L1007 PolarHBondContact O-N 3.32Å; L1003-L1007 VanDerWaalsContact O-N 3.11Å; K1005-L1007 PolarHBondContact O-N 2.99Å; L1007-N1011 WeakPolarHBondContact O-CB 3.2Å; L1007-N1011 VanDerWaalsContact O-CG 3.24Å; L1007-N1011 PolarHBondContact O-N 2.83Å; L1007-N1011 VanDerWaalsContact O-N 3.08Å; L1007-N1011 PolarHBondContact O-ND2 3.13Å; L1007-N1011 VanDerWaalsContact O-ND2 3.16Å; L1007-I1043 HydrophobicContact CD2-CD1 3.72Å; L1007-I1043 HydrophobicContact CD2-CG1 4.03Å; L1007-I1043 HydrophobicContact CD2-CG2 4.02Å; L1007-I1043 HydrophobicContact CG-CD1 4.09Å
1008R84Confident72.8Confident28 Ų2852.5 Ų52.511%0.10626%0.264CS..Hα-helixtrans-67.8-45.4174.4-76-176-52.2-112-3.8111.7D772 N1001 G1004 K1005 A1006 N1011 Q1012D772-R1008 WeakPolarHBondContact OD1-CD 3.41Å; N1001-R1008 PolarHBondContact ND2-NH2 3.17Å; N1001-R1008 VanDerWaalsContact OD1-CZ 3.28Å; N1001-R1008 PolarHBondContact OD1-NH1 3.22Å; N1001-R1008 PolarHBondContact OD1-NH2 3.1Å; G1004-R1008 WeakPolarHBondContact O-CB 3.27Å; G1004-R1008 VanDerWaalsContact O-CG 3.24Å; G1004-R1008 WeakPolarHBondContact O-CG 3.36Å; G1004-R1008 PolarHBondContact O-N 3.32Å; G1004-R1008 PolarHBondContact O-NE 2.74Å; K1005-R1008 PolarHBondContact O-N 2.81Å; K1005-R1008 VanDerWaalsContact O-N 3.13Å; A1006-R1008 PolarHBondContact O-N 3.18Å; R1008-N1011 PolarHBondContact O-N 3.04Å; R1008-Q1012 WeakPolarHBondContact O-CB 3.17Å; R1008-Q1012 VanDerWaalsContact O-CG 3.26Å; R1008-Q1012 WeakPolarHBondContact O-CG 3.25Å; R1008-Q1012 PolarHBondContact O-N 2.69Å
1009E82.2Confident75.6Confident78 Ų7851.2 Ų51.236%0.36425%0.251SS..Hα-helixtrans-66-43178.7-71.8178.3-175.100110.6K1005 A1006 N1011 Q1012 L1013K1005-E1009 WeakPolarHBondContact CE-OE1 3.37Å; K1005-E1009 HydrophobicContact CG-CG 4.24Å; K1005-E1009 WeakPolarHBondContact CG-OE1 3.34Å; K1005-E1009 WeakPolarHBondContact O-CB 3.17Å; K1005-E1009 WeakPolarHBondContact O-CG 3.45Å; K1005-E1009 PolarHBondContact O-N 3.42Å; A1006-E1009 PolarHBondContact O-N 2.85Å; E1009-N1011 PolarHBondContact O-N 3.09Å; E1009-Q1012 PolarHBondContact O-N 3.18Å; E1009-L1013 VanDerWaalsContact O-CB 3.25Å; E1009-L1013 WeakPolarHBondContact O-CB 3.45Å; E1009-L1013 WeakPolarHBondContact O-CG 3.46Å; E1009-L1013 PolarHBondContact O-N 2.77Å
1010F85.1Confident78Confident2 Ų252.4 Ų52.41%0.00925%0.253CS..Hα-helixtrans-52.3-52.1171-176.2-99.6000113R836 H838 A1006 T1014 Y1031 I1043 A1045R836-F1010 HydrophobicContact CB-CE2 4.22Å; R836-F1010 HydrophobicContact CB-CZ 4.02Å; R836-F1010 VanDerWaalsContact CD-CE2 3.49Å; R836-F1010 HydrophobicContact CG-CE2 3.69Å; R836-F1010 HydrophobicContact CG-CZ 3.99Å; H838-F1010 HydrophobicContact CB-CD2 3.37Å; H838-F1010 HydrophobicContact CB-CE2 3.61Å; H838-F1010 AromaticContact CD2-CD2 3.71Å; H838-F1010 AromaticContact CG-CD2 3.9Å; A1006-F1010 VanDerWaalsContact O-CB 3.26Å; A1006-F1010 WeakPolarHBondContact O-CB 3.37Å; A1006-F1010 PolarHBondContact O-N 3.37Å; F1010-T1014 WeakPolarHBondContact O-CB 3.25Å; F1010-T1014 PolarHBondContact O-N 3.11Å; F1010-T1014 PolarHBondContact O-OG1 2.68Å; F1010-Y1031 AromaticContact CD1-CE1 3.99Å; F1010-Y1031 HydrophobicContact CD1-CE1 3.99Å; F1010-Y1031 HydrophobicContact CE1-CD1 4.29Å; F1010-Y1031 AromaticContact CE1-CE1 3.77Å; F1010-Y1031 HydrophobicContact CE1-CE1 3.77Å; F1010-I1043 HydrophobicContact CD1-CG2 4.14Å; F1010-I1043 HydrophobicContact CD2-CG2 4.09Å; F1010-I1043 HydrophobicContact CE1-CG2 4.12Å; F1010-I1043 HydrophobicContact CE2-CG2 4.01Å; F1010-I1043 HydrophobicContact CG-CG2 4.12Å; F1010-I1043 HydrophobicContact CZ-CG2 4.03Å; F1010-A1045 HydrophobicContact CE1-CB 3.51Å; F1010-A1045 HydrophobicContact CZ-CB 3.52Å
1011N86.7Confident80Confident15 Ų1553.1 Ų53.18%0.0824%0.235CC..Hα-helixtrans-65.4-47.3-179.1-74.2-26.3000110.9Q559 L1007 R1008 E1009 L1013 T1014 W1015 Y1031Q559-N1011 PolarHBondContact OE1-ND2 2.7Å; Q559-N1011 VanDerWaalsContact OE1-ND2 3.12Å; L1007-N1011 WeakPolarHBondContact O-CB 3.2Å; L1007-N1011 VanDerWaalsContact O-CG 3.24Å; L1007-N1011 PolarHBondContact O-N 2.83Å; L1007-N1011 VanDerWaalsContact O-N 3.08Å; L1007-N1011 PolarHBondContact O-ND2 3.13Å; L1007-N1011 VanDerWaalsContact O-ND2 3.16Å; R1008-N1011 PolarHBondContact O-N 3.04Å; E1009-N1011 PolarHBondContact O-N 3.09Å; N1011-L1013 PolarHBondContact O-N 2.83Å; N1011-T1014 WeakPolarHBondContact O-CB 3.39Å; N1011-T1014 PolarHBondContact O-N 2.94Å; N1011-W1015 HydrophobicContact CB-CZ2 4.05Å; N1011-W1015 PolarHBondContact O-N 2.89Å; N1011-W1015 PolarHBondContact O-NE1 2.95Å; N1011-Y1031 PolarHBondContact OD1-OH 3.02Å
1012Q85.9Confident81.4Confident95 Ų9555 Ų5544%0.44424%0.244SC..Hα-helixtrans-59.1-45176.4-73.717813.300112.8P773 R1008 E1009 T1014 W1015 F1016P773-Q1012 HydrophobicContact CG-CG 4.23Å; R1008-Q1012 WeakPolarHBondContact O-CB 3.17Å; R1008-Q1012 VanDerWaalsContact O-CG 3.26Å; R1008-Q1012 WeakPolarHBondContact O-CG 3.25Å; R1008-Q1012 PolarHBondContact O-N 2.69Å; E1009-Q1012 PolarHBondContact O-N 3.18Å; Q1012-T1014 PolarHBondContact O-N 3.43Å; Q1012-W1015 HydrophobicContact CG-CE3 4.39Å; Q1012-W1015 HydrophobicContact CG-CZ3 4.35Å; Q1012-W1015 PolarHBondContact O-N 3.08Å; Q1012-F1016 VanDerWaalsContact O-CB 3.28Å; Q1012-F1016 WeakPolarHBondContact O-CB 3.5Å; Q1012-F1016 PolarHBondContact O-N 3.18Å
1013L83.4Confident81.9Confident77 Ų7757.5 Ų57.540%0.40326%0.26SS..Hα-helixtrans-64.8-26.2176.6-72.2169.6000112.3R836 E1009 N1011 R1017R836-L1013 PolarHBondContact NH1-O 3.25Å; E1009-L1013 VanDerWaalsContact O-CB 3.25Å; E1009-L1013 WeakPolarHBondContact O-CB 3.45Å; E1009-L1013 WeakPolarHBondContact O-CG 3.46Å; E1009-L1013 PolarHBondContact O-N 2.77Å; N1011-L1013 PolarHBondContact O-N 2.83Å; L1013-R1017 WeakPolarHBondContact O-CB 3.5Å; L1013-R1017 PolarHBondContact O-N 2.71Å; L1013-R1017 VanDerWaalsContact O-N 3.17Å
1014T81.6Confident82.2Confident8 Ų857.5 Ų57.55%0.04926%0.26CS..Hα-helixtrans-79.3-44.4178.5-61.40000110.4F834 R836 F1010 N1011 Q1012 F1016 R1017 F1018F834-T1014 HydrophobicContact CE2-CG2 4.48Å; R836-T1014 WeakPolarHBondContact CD-OG1 3.46Å; R836-T1014 VanDerWaalsContact NH1-CA 3.28Å; R836-T1014 VanDerWaalsContact NH1-N 3.17Å; R836-T1014 PolarHBondContact NH1-OG1 2.75Å; F1010-T1014 WeakPolarHBondContact O-CB 3.25Å; F1010-T1014 PolarHBondContact O-N 3.11Å; F1010-T1014 PolarHBondContact O-OG1 2.68Å; N1011-T1014 WeakPolarHBondContact O-CB 3.39Å; N1011-T1014 PolarHBondContact O-N 2.94Å; Q1012-T1014 PolarHBondContact O-N 3.43Å; T1014-F1016 VanDerWaalsContact C-N 3.32Å; T1014-F1016 PolarHBondContact O-N 2.81Å; T1014-R1017 WeakPolarHBondContact O-CB 3.28Å; T1014-R1017 PolarHBondContact O-N 2.74Å; T1014-F1018 HydrophobicContact CG2-CD2 3.84Å; T1014-F1018 HydrophobicContact CG2-CE2 3.57Å; T1014-F1018 VanDerWaalsContact O-CD2 3.27Å; T1014-F1018 WeakPolarHBondContact O-CD2 3.38Å; T1014-F1018 PolarHBondContact O-N 3.05Å; T1014-F1018 VanDerWaalsContact O-N 3.1Å
1015W82.9Confident82.5Confident29 Ų2958 Ų5811%0.1126%0.262CS..Hα-helixtrans-60.7-41.2170.1-49.1-20.7000111.7P773 F774 Q775 P776 L779 L781 N1011 Q1012 R1017 F1018 R1019P773-W1015 HydrophobicContact CB-CH2 4.25Å; P773-W1015 HydrophobicContact CB-CZ3 4Å; P773-W1015 HydrophobicContact CG-CH2 3.84Å; P773-W1015 HydrophobicContact CG-CZ3 3.86Å; F774-W1015 WeakPolarHBondContact O-CZ3 3.37Å; Q775-W1015 HydrophobicContact CB-CZ2 4.34Å; P776-W1015 HydrophobicContact CG-CB 4.07Å; P776-W1015 HydrophobicContact CG-CD2 4.41Å; P776-W1015 HydrophobicContact CG-CE3 4.18Å; P776-W1015 HydrophobicContact CG-CG 4.39Å; L779-W1015 HydrophobicContact CD2-CB 4.05Å; L779-W1015 VanDerWaalsContact CD2-CD1 3.44Å; L779-W1015 HydrophobicContact CD2-CG 3.74Å; L781-W1015 HydrophobicContact CD1-CZ2 3.98Å; N1011-W1015 HydrophobicContact CB-CZ2 4.05Å; N1011-W1015 PolarHBondContact O-N 2.89Å; N1011-W1015 PolarHBondContact O-NE1 2.95Å; Q1012-W1015 HydrophobicContact CG-CE3 4.39Å; Q1012-W1015 HydrophobicContact CG-CZ3 4.35Å; Q1012-W1015 PolarHBondContact O-N 3.08Å; W1015-R1017 VanDerWaalsContact C-N 3.32Å; W1015-R1017 PolarHBondContact O-N 2.88Å; W1015-F1018 PolarHBondContact O-N 2.92Å; W1015-R1019 PolarHBondContact O-N 3.49Å
1016F84.5Confident82.9Confident91 Ų9152.8 Ų52.840%0.39924%0.239SC..Hα-helixtrans-64.2-32.4177.2179.8-97.7000113.2Q1012 T1014 R1019 L1122Q1012-F1016 VanDerWaalsContact O-CB 3.28Å; Q1012-F1016 WeakPolarHBondContact O-CB 3.5Å; Q1012-F1016 PolarHBondContact O-N 3.18Å; T1014-F1016 VanDerWaalsContact C-N 3.32Å; T1014-F1016 PolarHBondContact O-N 2.81Å; F1016-R1019 VanDerWaalsContact CE2-NH1 3.25Å; F1016-R1019 WeakPolarHBondContact O-CD 3.16Å; F1016-R1019 WeakPolarHBondContact O-CG 3.35Å; F1016-R1019 PolarHBondContact O-NH1 2.87Å; F1016-L1122 HydrophobicContact CZ-CD1 4.42Å
1017R82Confident83.1Confident181 Ų18152.9 Ų52.968%0.68324%0.239SC*.Hα-helixtrans-69.3-46.9173.9-179.265.8173-166.8-2.2111.1L1013 T1014 W1015L1013-R1017 WeakPolarHBondContact O-CB 3.5Å; L1013-R1017 PolarHBondContact O-N 2.71Å; L1013-R1017 VanDerWaalsContact O-N 3.17Å; T1014-R1017 WeakPolarHBondContact O-CB 3.28Å; T1014-R1017 PolarHBondContact O-N 2.74Å; W1015-R1017 VanDerWaalsContact C-N 3.32Å; W1015-R1017 PolarHBondContact O-N 2.88Å
1018F80.6Confident83.2Confident26 Ų2653.2 Ų53.211%0.11424%0.242CC..Hα-helixtrans-90.72.1-173.8-55.5-45.6000115F834 T1014 W1015 H1020 Y1021 I1026 I1049F834-F1018 HydrophobicContact CB-CZ 3.87Å; F834-F1018 AromaticContact CD1-CE2 3.86Å; F834-F1018 HydrophobicContact CD1-CE2 3.86Å; F834-F1018 AromaticContact CD1-CZ 3.93Å; F834-F1018 HydrophobicContact CD1-CZ 3.93Å; F834-F1018 HydrophobicContact CD2-CE2 4.16Å; F834-F1018 HydrophobicContact CD2-CZ 4.17Å; F834-F1018 HydrophobicContact CE1-CE2 4.05Å; F834-F1018 HydrophobicContact CE2-CE2 4.35Å; F834-F1018 AromaticContact CG-CE2 3.92Å; F834-F1018 HydrophobicContact CG-CE2 3.92Å; F834-F1018 AromaticContact CG-CZ 3.71Å; F834-F1018 HydrophobicContact CG-CZ 3.71Å; F834-F1018 HydrophobicContact CZ-CE2 4.3Å; T1014-F1018 HydrophobicContact CG2-CD2 3.84Å; T1014-F1018 HydrophobicContact CG2-CE2 3.57Å; T1014-F1018 VanDerWaalsContact O-CD2 3.27Å; T1014-F1018 WeakPolarHBondContact O-CD2 3.38Å; T1014-F1018 PolarHBondContact O-N 3.05Å; T1014-F1018 VanDerWaalsContact O-N 3.1Å; W1015-F1018 PolarHBondContact O-N 2.92Å; F1018-H1020 PolarHBondContact O-N 3.02Å; F1018-Y1021 HydrophobicContact CB-CD2 4.22Å; F1018-Y1021 HydrophobicContact CD1-CD2 4.23Å; F1018-Y1021 HydrophobicContact CD1-CE2 4.21Å; F1018-Y1021 WeakPolarHBondContact O-CB 3.44Å; F1018-Y1021 PolarHBondContact O-N 3.01Å; F1018-I1026 HydrophobicContact CD2-CD1 3.92Å; F1018-I1026 HydrophobicContact CE2-CD1 4.46Å; F1018-I1049 HydrophobicContact CD1-CD1 3.5Å; F1018-I1049 HydrophobicContact CD2-CD1 3.92Å; F1018-I1049 HydrophobicContact CD2-CG1 4.39Å; F1018-I1049 HydrophobicContact CE1-CD1 3.46Å; F1018-I1049 VanDerWaalsContact CE1-CD1 3.46Å; F1018-I1049 HydrophobicContact CE2-CD1 3.85Å; F1018-I1049 HydrophobicContact CE2-CG1 4.5Å; F1018-I1049 HydrophobicContact CG-CD1 3.76Å; F1018-I1049 HydrophobicContact CG-CG1 4.47Å; F1018-I1049 HydrophobicContact CZ-CD1 3.64Å
1019R83.9Confident83.5Confident104 Ų10452.2 Ų52.239%0.39224%0.238SC..G310 helixtrans-48.2-26.417872.9-179.5-177.3-110.74.8115.9W1015 F1016 Y1021 I1022W1015-R1019 PolarHBondContact O-N 3.49Å; F1016-R1019 VanDerWaalsContact CE2-NH1 3.25Å; F1016-R1019 WeakPolarHBondContact O-CD 3.16Å; F1016-R1019 WeakPolarHBondContact O-CG 3.35Å; F1016-R1019 PolarHBondContact O-NH1 2.87Å; R1019-Y1021 VanDerWaalsContact C-N 3.31Å; R1019-I1022 HydrophobicContact CB-CD1 4.48Å
1020H83.4Confident83.8Confident138 Ų13849 Ų4964%0.63922%0.224SC*.G310 helixtrans-79.1-14.7-178.6-49106.4000113F1018F1018-H1020 PolarHBondContact O-N 3.02Å
1021Y77.5Confident84Confident85 Ų8549.1 Ų49.133%0.33322%0.224SC..G310 helixtrans-91.4-9.7173.9-62.8-66.1000112.9F1018 R1019 P1023 C1024 I1049 H1051F1018-Y1021 HydrophobicContact CB-CD2 4.22Å; F1018-Y1021 HydrophobicContact CD1-CD2 4.23Å; F1018-Y1021 HydrophobicContact CD1-CE2 4.21Å; F1018-Y1021 WeakPolarHBondContact O-CB 3.44Å; F1018-Y1021 PolarHBondContact O-N 3.01Å; R1019-Y1021 VanDerWaalsContact C-N 3.31Å; Y1021-P1023 CarbonylContact O-C 3.59Å; Y1021-P1023 VanDerWaalsContact O-O 3.08Å; Y1021-C1024 VanDerWaalsContact O-CB 3.29Å; Y1021-C1024 WeakPolarHBondContact O-CB 3.4Å; Y1021-I1049 HydrophobicContact CD2-CG2 4.38Å; Y1021-I1049 HydrophobicContact CG-CG2 4.4Å; Y1021-H1051 HydrophobicContact CD1-CB 4.39Å; Y1021-H1051 AromaticContact CD1-CD2 3.64Å; Y1021-H1051 AromaticContact CD1-CE1 3.74Å; Y1021-H1051 AromaticContact CD1-CG 3.72Å; Y1021-H1051 AromaticContact CD1-ND1 3.81Å; Y1021-H1051 AromaticContact CD1-NE2 3.63Å; Y1021-H1051 AromaticContact CE1-CE1 3.81Å; Y1021-H1051 AromaticContact CE1-NE2 3.9Å
1022I81.5Confident84Confident54 Ų5450.9 Ų50.928%0.27723%0.23SC..  trans-66.7128.4-177.3-63.7179000109.5P776 L779 R1019P776-I1022 HydrophobicContact CB-CD1 4.01Å; L779-I1022 HydrophobicContact CB-CD1 4.21Å; L779-I1022 HydrophobicContact CB-CG1 4.44Å; R1019-I1022 HydrophobicContact CB-CD1 4.48Å
1023P79.9Confident84Confident73 Ų7347.1 Ų47.147%0.47421%0.213SC..SBendcis-78.3127.77.731.4-35.1000113.9G778 Y1021 P1052G778-P1023 CarbonylContact O-C 3.55Å; G778-P1023 WeakPolarHBondContact O-CA 3.38Å; Y1021-P1023 CarbonylContact O-C 3.59Å; Y1021-P1023 VanDerWaalsContact O-O 3.08Å; P1023-P1052 HydrophobicContact CG-CG 4.44Å; P1023-P1052 WeakPolarHBondContact O-CD 3.24Å
1024C81.4Confident83.9Confident4 Ų444.8 Ų44.83%0.02720%0.203CC..EExtended strand (participates in β ladder)trans-147.5162.1179.956.30000111.9G778 L779 I780 Y1021 I1049 L1050 H1051G778-C1024 PolarHBondContact O-N 2.93Å; L779-C1024 WeakPolarHBondContact CA-O 2.86Å; L779-C1024 WeakPolarHBondContact CD1-SG 3.43Å; I780-C1024 PolarHBondContact N-O 3.36Å; Y1021-C1024 VanDerWaalsContact O-CB 3.29Å; Y1021-C1024 WeakPolarHBondContact O-CB 3.4Å; C1024-I1049 HydrophobicContact CB-CG2 4.23Å; C1024-L1050 CarbonylContact C-O 3.6Å; C1024-L1050 VanDerWaalsContact CA-O 3.31Å; C1024-L1050 WeakPolarHBondContact CA-O 2.9Å; C1024-L1050 VanDerWaalsContact CB-O 3.27Å; C1024-L1050 WeakPolarHBondContact CB-O 3.49Å; C1024-H1051 HydrophobicContact CB-CB 3.78Å
1025I83.8Confident83.8Confident17 Ų1746.2 Ų46.29%0.08721%0.208CC..EExtended strand (participates in β ladder)trans-112.9144.1172-49.3101.7000108.9I780 I787 Y829 N1027 I1049 L1050I780-I1025 HydrophobicContact CB-CB 4.21Å; I780-I1025 HydrophobicContact CB-CG1 3.91Å; I780-I1025 HydrophobicContact CB-CG2 3.8Å; I780-I1025 HydrophobicContact CD1-CG1 4.17Å; I780-I1025 HydrophobicContact CG1-CG1 4.44Å; I780-I1025 HydrophobicContact CG2-CG1 4.5Å; I780-I1025 HydrophobicContact CG2-CG2 3.79Å; I780-I1025 CarbonylContact O-C 3.56Å; I780-I1025 WeakPolarHBondContact O-CA 3.29Å; I787-I1025 HydrophobicContact CD1-CB 4.18Å; I787-I1025 HydrophobicContact CD1-CD1 4.09Å; I787-I1025 HydrophobicContact CD1-CG1 3.99Å; I787-I1025 HydrophobicContact CD1-CG2 3.86Å; I787-I1025 HydrophobicContact CG1-CG2 4.48Å; Y829-I1025 HydrophobicContact CE1-CD1 4.28Å; I1025-N1027 WeakPolarHBondContact CG2-OD1 3.34Å; I1025-I1049 CarbonylContact O-C 3.54Å; I1025-I1049 WeakPolarHBondContact O-CA 3.28Å; I1025-L1050 PolarHBondContact N-O 3.06Å; I1025-L1050 PolarHBondContact O-N 3.47Å
1026I86.9Confident83.2Confident1 Ų145.7 Ų45.71%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-111.7111.7163.7-58.8-178.5000108.4L779 I780 L781 T782 F834 F1018 L1029 M1048 I1049L779-I1026 HydrophobicContact CD1-CD1 4.29Å; L779-I1026 HydrophobicContact CD1-CG1 4.25Å; I780-I1026 PolarHBondContact O-N 2.84Å; L781-I1026 HydrophobicContact CD2-CB 3.91Å; L781-I1026 HydrophobicContact CD2-CD1 3.87Å; L781-I1026 HydrophobicContact CD2-CG1 4.11Å; T782-I1026 PolarHBondContact N-O 2.85Å; F834-I1026 HydrophobicContact CE1-CD1 4.22Å; F834-I1026 HydrophobicContact CE1-CG2 3.64Å; F834-I1026 HydrophobicContact CZ-CG2 3.96Å; F1018-I1026 HydrophobicContact CD2-CD1 3.92Å; F1018-I1026 HydrophobicContact CE2-CD1 4.46Å; I1026-L1029 HydrophobicContact CB-CD1 4.42Å; I1026-L1029 HydrophobicContact CG2-CB 4.4Å; I1026-L1029 HydrophobicContact CG2-CD1 3.71Å; I1026-L1029 HydrophobicContact CG2-CG 3.8Å; I1026-M1048 VanDerWaalsContact CA-O 3.32Å; I1026-M1048 WeakPolarHBondContact CA-O 3.48Å; I1026-I1049 HydrophobicContact CD1-CG1 4.27Å; I1026-I1049 HydrophobicContact CG1-CG1 3.99Å
1027N84.5Confident82.3Confident4 Ų442.8 Ų42.82%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-100.4166.1176.6-77.120.7000111.7T782 E785 I787 I1025 L1029 M1048 L1174T782-N1027 CarbonylContact O-C 3.58Å; T782-N1027 PolarHBondContact OG1-OD1 3.48Å; E785-N1027 PolarHBondContact O-ND2 2.94Å; I787-N1027 WeakPolarHBondContact CG1-ND2 3.31Å; I1025-N1027 WeakPolarHBondContact CG2-OD1 3.34Å; N1027-L1029 PolarHBondContact O-N 2.79Å; N1027-M1048 PolarHBondContact N-O 3.36Å; N1027-M1048 PolarHBondContact O-N 3.2Å; N1027-L1174 HydrophobicContact CB-CD2 3.88Å
1028A85.5Confident81.4Confident7 Ų738 Ų386%0.05819%0.185CC..EExtended strand (participates in β ladder)trans50.640.1176.900000113.1T782 T784 E785 D1030 P1173 L1174T782-A1028 PolarHBondContact O-N 3.02Å; T784-A1028 PolarHBondContact O-N 2.94Å; E785-A1028 HydrophobicContact CG-CB 4.26Å; A1028-D1030 PolarHBondContact O-N 2.88Å; A1028-D1030 VanDerWaalsContact O-N 3.13Å; A1028-P1173 HydrophobicContact CB-CB 4.21Å; A1028-P1173 HydrophobicContact CB-CG 4.44Å; A1028-L1174 HydrophobicContact CB-CD2 3.64Å
1029L89.3Confident80.5Confident7 Ų742.5 Ų42.54%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-75.1100.8-176.9-135.8177.6000110.2L781 T782 T783 F834 I1026 N1027 Y1031 A1045 T1046L781-L1029 HydrophobicContact CD2-CD1 4.32Å; T782-L1029 WeakPolarHBondContact O-CB 3.31Å; T782-L1029 PolarHBondContact O-N 3.36Å; T783-L1029 WeakPolarHBondContact CG2-O 3.38Å; F834-L1029 HydrophobicContact CZ-CG 4.45Å; I1026-L1029 HydrophobicContact CB-CD1 4.42Å; I1026-L1029 HydrophobicContact CG2-CB 4.4Å; I1026-L1029 HydrophobicContact CG2-CD1 3.71Å; I1026-L1029 HydrophobicContact CG2-CG 3.8Å; N1027-L1029 PolarHBondContact O-N 2.79Å; L1029-Y1031 HydrophobicContact CD2-CD2 4.16Å; L1029-Y1031 HydrophobicContact CD2-CE2 3.63Å; L1029-A1045 HydrophobicContact CD2-CB 4Å; L1029-T1046 WeakPolarHBondContact CA-O 3.43Å
1030D89Confident79.9Confident12 Ų1239.5 Ų39.56%0.06420%0.197CC..EExtended strand (participates in β ladder)trans-99.3143.7173.9-168.348.5000110.2R609 R611 A1028 A1045 T1046R609-D1030 WeakPolarHBondContact CD-OD1 3.4Å; R609-D1030 IonicContact CZ-OD1 2.69Å; R609-D1030 IonicContact NE-OD1 3.84Å; R609-D1030 IonicContact NH1-OD1 3.59Å; R609-D1030 PolarHBondContact NH1-OD1 3.24Å; R609-D1030 IonicContact NH1-OD2 3.59Å; R609-D1030 PolarHBondContact NH1-OD2 3Å; R611-D1030 IonicContact CZ-OD1 3.97Å; R611-D1030 IonicContact CZ-OD2 2.68Å; R611-D1030 IonicContact NH2-OD1 3.14Å; R611-D1030 PolarHBondContact NH2-OD1 2.86Å; R611-D1030 VanDerWaalsContact NH2-OD1 3.1Å; R611-D1030 IonicContact NH2-OD2 2.69Å; R611-D1030 PolarHBondContact NH2-OD2 2.99Å; A1028-D1030 PolarHBondContact O-N 2.88Å; A1028-D1030 VanDerWaalsContact O-N 3.13Å; D1030-A1045 WeakPolarHBondContact O-CA 3.38Å; D1030-A1045 WeakPolarHBondContact O-CB 3.42Å; D1030-T1046 PolarHBondContact N-O 2.65Å; D1030-T1046 VanDerWaalsContact N-O 3.09Å; D1030-T1046 PolarHBondContact O-N 3.27Å
1031Y89.8Confident79.7Confident3 Ų333 Ų331%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-118.4137.1172.7-67.7-100.2000109L557 R611 I622 T624 F1010 N1011 L1029 I1043 I1044 A1045L557-Y1031 HydrophobicContact CD1-CE2 4.5Å; L557-Y1031 HydrophobicContact CD2-CE2 4.17Å; L557-Y1031 WeakPolarHBondContact CD2-OH 3.5Å; R611-Y1031 VanDerWaalsContact CG-O 3.26Å; R611-Y1031 WeakPolarHBondContact CG-O 3.41Å; R611-Y1031 PolarHBondContact NE-O 2.95Å; R611-Y1031 VanDerWaalsContact NE-O 3.14Å; I622-Y1031 HydrophobicContact CD1-CG 4.44Å; T624-Y1031 HydrophobicContact CG2-CD2 3.68Å; T624-Y1031 HydrophobicContact CG2-CE2 4.1Å; T624-Y1031 HydrophobicContact CG2-CG 4.28Å; F1010-Y1031 AromaticContact CD1-CE1 3.99Å; F1010-Y1031 HydrophobicContact CD1-CE1 3.99Å; F1010-Y1031 HydrophobicContact CE1-CD1 4.29Å; F1010-Y1031 AromaticContact CE1-CE1 3.77Å; F1010-Y1031 HydrophobicContact CE1-CE1 3.77Å; N1011-Y1031 PolarHBondContact OD1-OH 3.02Å; L1029-Y1031 HydrophobicContact CD2-CD2 4.16Å; L1029-Y1031 HydrophobicContact CD2-CE2 3.63Å; Y1031-I1043 HydrophobicContact CD1-CG2 4.4Å; Y1031-I1044 CarbonylContact C-O 3.34Å; Y1031-I1044 WeakPolarHBondContact CA-O 3.5Å; Y1031-A1045 HydrophobicContact CD1-CB 3.91Å; Y1031-A1045 HydrophobicContact CE1-CB 4.07Å; Y1031-A1045 HydrophobicContact CG-CB 4.39Å
1032R86Confident79.8Confident53 Ų5328.9 Ų28.920%0.215%0.151CC..EExtended strand (participates in β ladder)trans-117.8150.4167.7-71.3-82-174.2140.910109R611 I1044 L1238 S1239 E1240R611-R1032 VanDerWaalsContact CZ-NE 3.27Å; R1032-I1044 HydrophobicContact CB-CB 4.27Å; R1032-I1044 PolarHBondContact N-O 2.7Å; R1032-I1044 PolarHBondContact O-N 2.97Å; R1032-L1238 PolarHBondContact NH2-O 2.86Å; R1032-S1239 PolarHBondContact NH1-O 2.79Å; R1032-S1239 PolarHBondContact NH2-O 2.81Å; R1032-E1240 IonicContact NH1-OE1 3.72Å
1033L86.9Confident80Confident16 Ų1626.4 Ų26.48%0.08414%0.138CC..EExtended strand (participates in β ladder)trans-133.5132-178.3-164.172.8000108.1A613 A620 I622 L1003 I1041 Q1042 I1043A613-L1033 HydrophobicContact CB-CB 4.3Å; A613-L1033 HydrophobicContact CB-CD2 4.03Å; A613-L1033 HydrophobicContact CB-CG 4.07Å; A620-L1033 HydrophobicContact CB-CD2 3.79Å; I622-L1033 HydrophobicContact CG2-CD2 4.38Å; L1003-L1033 HydrophobicContact CD1-CD1 4.34Å; L1033-I1041 HydrophobicContact CD1-CD1 3.65Å; L1033-I1041 HydrophobicContact CD1-CG1 3.93Å; L1033-I1041 HydrophobicContact CD2-CD1 3.96Å; L1033-I1041 HydrophobicContact CG-CD1 3.79Å; L1033-I1041 HydrophobicContact CG-CG1 4.19Å; L1033-Q1042 WeakPolarHBondContact CA-O 3.45Å; L1033-I1043 HydrophobicContact CD1-CG1 3.81Å
1034S81.1Confident80.1Confident28 Ų2823.2 Ų23.220%0.19612%0.117CC..EExtended strand (participates in β ladder)trans-147.1152.7174.448.70000110I1041 Q1042S1034-I1041 VanDerWaalsContact O-CG1 3.31Å; S1034-I1041 WeakPolarHBondContact O-CG1 3.27Å; S1034-Q1042 PolarHBondContact N-O 2.84Å; S1034-Q1042 PolarHBondContact O-N 3.41Å
1035F79.9Confident80.3Confident37 Ų3723.1 Ų23.116%0.16212%0.116CC..EExtended strand (participates in β ladder)trans-89.5139164.6-69.6-82.2000108.6A613 M618 A620 L842 H1040 I1041A613-F1035 HydrophobicContact CB-CD2 3.86Å; A613-F1035 HydrophobicContact CB-CE2 3.78Å; M618-F1035 HydrophobicContact CE-CE1 4.15Å; M618-F1035 HydrophobicContact CE-CZ 4.28Å; M618-F1035 HydrophobicContact CG-CE1 3.68Å; M618-F1035 HydrophobicContact CG-CZ 3.63Å; M618-F1035 HydrophobicContact SD-CE1 3.62Å; M618-F1035 HydrophobicContact SD-CZ 4.08Å; A620-F1035 HydrophobicContact CB-CE2 4.12Å; A620-F1035 HydrophobicContact CB-CZ 3.81Å; L842-F1035 HydrophobicContact CD1-CE1 4.24Å; F1035-H1040 WeakPolarHBondContact CA-O 3.15Å; F1035-I1041 HydrophobicContact CD1-CB 4.27Å; F1035-I1041 HydrophobicContact CD1-CD1 4.34Å; F1035-I1041 HydrophobicContact CD1-CG1 4.03Å; F1035-I1041 HydrophobicContact CE1-CB 4.15Å; F1035-I1041 HydrophobicContact CE1-CD1 3.69Å; F1035-I1041 HydrophobicContact CE1-CG1 3.87Å; F1035-I1041 HydrophobicContact CE2-CD1 4.23Å; F1035-I1041 HydrophobicContact CZ-CD1 3.62Å; F1035-I1041 HydrophobicContact CZ-CG1 4.21Å
1036T68.9Low80.3Confident18 Ų1823 Ų2311%0.1112%0.116CC..EExtended strand (participates in β ladder)trans-102.3-44.2176.237.10000111.3E839 H1040 Q1042 V1243E839-T1036 WeakPolarHBondContact OE1-CB 3.48Å; E839-T1036 PolarHBondContact OE1-OG1 2.93Å; T1036-H1040 PolarHBondContact N-O 3.36Å; T1036-H1040 WeakPolarHBondContact OG1-CB 3.35Å; T1036-H1040 PolarHBondContact OG1-O 2.97Å; T1036-Q1042 HydrophobicContact CG2-CB 3.98Å; T1036-V1243 HydrophobicContact CG2-CB 4.14Å; T1036-V1243 HydrophobicContact CG2-CG1 4.08Å
1037D65.7Low80.2Confident31 Ų3122.9 Ų22.917%0.16612%0.116CC..EExtended strand (participates in β ladder)trans-134.5168.3173.5-58.218.8000107.8E1039 H1040 R1245D1037-E1039 PolarHBondContact O-N 2.91Å; D1037-H1040 HydrophobicContact CB-CB 4.15Å; D1037-H1040 PolarHBondContact O-N 3.07Å; D1037-R1245 VanDerWaalsContact CG-CZ 3.4Å; D1037-R1245 WeakPolarHBondContact OD1-CD 3.42Å; D1037-R1245 IonicContact OD1-CZ 3.58Å; D1037-R1245 IonicContact OD1-NE 4Å; D1037-R1245 PolarHBondContact OD1-NE 3.05Å; D1037-R1245 IonicContact OD1-NH1 3.87Å; D1037-R1245 PolarHBondContact OD1-NH1 3.24Å; D1037-R1245 VanDerWaalsContact OD1-NH1 3.15Å; D1037-R1245 IonicContact OD1-NH2 3.19Å; D1037-R1245 PolarHBondContact OD1-NH2 3.12Å; D1037-R1245 VanDerWaalsContact OD2-CD 3.26Å; D1037-R1245 WeakPolarHBondContact OD2-CD 3.34Å; D1037-R1245 IonicContact OD2-CZ 3.96Å; D1037-R1245 VanDerWaalsContact OD2-CZ 3.27Å; D1037-R1245 IonicContact OD2-NE 3.59Å; D1037-R1245 IonicContact OD2-NH1 3.94Å; D1037-R1245 PolarHBondContact OD2-NH1 2.84Å
1038D63Low80.1Confident80 Ų8022.8 Ų22.843%0.42812%0.115SC..THydrogen-bonded Turntrans-49.6-32.6-177.3-19.6-30.8000113.5
1039E63.4Low79.9Confident121 Ų12122.5 Ų22.557%0.56511%0.113SC*.THydrogen-bonded Turntrans-109.8-5178.9-60.8-175.9139.400114.2E841 L842 D1037E841-E1039 CarbonylContact C-O 3.58Å; E841-E1039 WeakPolarHBondContact CA-O 3.41Å; L842-E1039 PolarHBondContact N-O 2.92Å; D1037-E1039 PolarHBondContact O-N 2.91Å
1040H71.5Confident79.4Confident41 Ų4122.5 Ų22.519%0.1911%0.112CC..EExtended strand (participates in β ladder)trans-114.2124.6-169.5-76.956.7000112.7E839 F1035 T1036 D1037E839-H1040 HydrophobicContact CG-CB 4.22Å; E839-H1040 IonicContact OE1-CD2 2.82Å; E839-H1040 IonicContact OE2-CD2 2.85Å; F1035-H1040 WeakPolarHBondContact CA-O 3.15Å; T1036-H1040 PolarHBondContact N-O 3.36Å; T1036-H1040 WeakPolarHBondContact OG1-CB 3.35Å; T1036-H1040 PolarHBondContact OG1-O 2.97Å; D1037-H1040 HydrophobicContact CB-CB 4.15Å; D1037-H1040 PolarHBondContact O-N 3.07Å
1041I79Confident78.7Confident0 Ų023.1 Ų23.10%012%0.115CC..EExtended strand (participates in β ladder)trans-105.9136.9173.2-148.1165.7000111.5A620 E839 T840 L842 L1003 L1033 S1034 F1035A620-I1041 HydrophobicContact CB-CD1 3.9Å; E839-I1041 WeakPolarHBondContact CA-O 3.4Å; T840-I1041 HydrophobicContact CG2-CG2 4.04Å; T840-I1041 PolarHBondContact N-O 2.86Å; T840-I1041 PolarHBondContact O-N 2.84Å; L842-I1041 HydrophobicContact CD1-CB 3.69Å; L842-I1041 HydrophobicContact CD1-CD1 3.76Å; L842-I1041 HydrophobicContact CD1-CG1 4.31Å; L842-I1041 HydrophobicContact CD1-CG2 3.7Å; L842-I1041 HydrophobicContact CD2-CG2 3.84Å; L842-I1041 HydrophobicContact CG-CB 3.92Å; L842-I1041 HydrophobicContact CG-CG2 3.64Å; L1003-I1041 HydrophobicContact CD1-CD1 4.15Å; L1033-I1041 HydrophobicContact CD1-CD1 3.65Å; L1033-I1041 HydrophobicContact CD1-CG1 3.93Å; L1033-I1041 HydrophobicContact CD2-CD1 3.96Å; L1033-I1041 HydrophobicContact CG-CD1 3.79Å; L1033-I1041 HydrophobicContact CG-CG1 4.19Å; S1034-I1041 VanDerWaalsContact O-CG1 3.31Å; S1034-I1041 WeakPolarHBondContact O-CG1 3.27Å; F1035-I1041 HydrophobicContact CD1-CB 4.27Å; F1035-I1041 HydrophobicContact CD1-CD1 4.34Å; F1035-I1041 HydrophobicContact CD1-CG1 4.03Å; F1035-I1041 HydrophobicContact CE1-CB 4.15Å; F1035-I1041 HydrophobicContact CE1-CD1 3.69Å; F1035-I1041 HydrophobicContact CE1-CG1 3.87Å; F1035-I1041 HydrophobicContact CE2-CD1 4.23Å; F1035-I1041 HydrophobicContact CZ-CD1 3.62Å; F1035-I1041 HydrophobicContact CZ-CG1 4.21Å
1042Q79.6Confident77.7Confident0 Ų024.2 Ų24.20%012%0.122CC..EExtended strand (participates in β ladder)trans-105.8127.4174.5-176.6169.1120.500110.2V837 L1033 S1034 T1036 I1044 L1210V837-Q1042 HydrophobicContact CG1-CG 3.91Å; L1033-Q1042 WeakPolarHBondContact CA-O 3.45Å; S1034-Q1042 PolarHBondContact N-O 2.84Å; S1034-Q1042 PolarHBondContact O-N 3.41Å; T1036-Q1042 HydrophobicContact CG2-CB 3.98Å; Q1042-I1044 HydrophobicContact CG-CG1 4.11Å; Q1042-L1210 VanDerWaalsContact NE2-CD1 3.27Å
1043I84.1Confident76.4Confident1 Ų123.8 Ų23.81%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-112.2119173.6-62.9154.8000106.7V837 H838 A1006 L1007 F1010 Y1031 L1033V837-I1043 CarbonylContact C-O 3.56Å; H838-I1043 PolarHBondContact N-O 2.96Å; H838-I1043 PolarHBondContact O-N 3.48Å; A1006-I1043 HydrophobicContact CB-CD1 3.9Å; L1007-I1043 HydrophobicContact CD2-CD1 3.72Å; L1007-I1043 HydrophobicContact CD2-CG1 4.03Å; L1007-I1043 HydrophobicContact CD2-CG2 4.02Å; L1007-I1043 HydrophobicContact CG-CD1 4.09Å; F1010-I1043 HydrophobicContact CD1-CG2 4.14Å; F1010-I1043 HydrophobicContact CD2-CG2 4.09Å; F1010-I1043 HydrophobicContact CE1-CG2 4.12Å; F1010-I1043 HydrophobicContact CE2-CG2 4.01Å; F1010-I1043 HydrophobicContact CG-CG2 4.12Å; F1010-I1043 HydrophobicContact CZ-CG2 4.03Å; Y1031-I1043 HydrophobicContact CD1-CG2 4.4Å; L1033-I1043 HydrophobicContact CD1-CG1 3.81Å
1044I83.1Confident74.5Confident7 Ų729 Ų294%0.03615%0.153CC..EExtended strand (participates in β ladder)trans-109.9134170.1-47.1178.9000107.5I835 R836 V837 Y1031 R1032 Q1042 V1241I835-I1044 HydrophobicContact CG2-CG2 3.92Å; R836-I1044 CarbonylContact O-C 3.47Å; R836-I1044 WeakPolarHBondContact O-CA 3.42Å; V837-I1044 HydrophobicContact CG1-CG1 4.48Å; V837-I1044 HydrophobicContact CG2-CG1 4.29Å; V837-I1044 HydrophobicContact CG2-CG2 4.35Å; Y1031-I1044 CarbonylContact C-O 3.34Å; Y1031-I1044 WeakPolarHBondContact CA-O 3.5Å; R1032-I1044 HydrophobicContact CB-CB 4.27Å; R1032-I1044 PolarHBondContact N-O 2.7Å; R1032-I1044 PolarHBondContact O-N 2.97Å; Q1042-I1044 HydrophobicContact CG-CG1 4.11Å; I1044-V1241 HydrophobicContact CD1-CB 3.77Å; I1044-V1241 HydrophobicContact CD1-CG1 3.58Å; I1044-V1241 HydrophobicContact CD1-CG2 3.88Å
1045A85.8Confident72.1Confident1 Ų132.1 Ų32.11%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-128.4140.8166.100000111.9I835 R836 F1010 L1029 D1030 Y1031I835-A1045 CarbonylContact C-O 3.52Å; I835-A1045 WeakPolarHBondContact CA-O 3.27Å; R836-A1045 PolarHBondContact N-O 3.38Å; R836-A1045 PolarHBondContact O-N 3.38Å; F1010-A1045 HydrophobicContact CE1-CB 3.51Å; F1010-A1045 HydrophobicContact CZ-CB 3.52Å; L1029-A1045 HydrophobicContact CD2-CB 4Å; D1030-A1045 WeakPolarHBondContact O-CA 3.38Å; D1030-A1045 WeakPolarHBondContact O-CB 3.42Å; Y1031-A1045 HydrophobicContact CD1-CB 3.91Å; Y1031-A1045 HydrophobicContact CE1-CB 4.07Å; Y1031-A1045 HydrophobicContact CG-CB 4.39Å
1046T84.4Confident69.6Low14 Ų1434.3 Ų34.39%0.08620%0.196CC..EExtended strand (participates in β ladder)trans-117.5152.2174.258.70000109.6F834 I835 L1029 D1030F834-T1046 WeakPolarHBondContact O-CA 3.33Å; I835-T1046 HydrophobicContact CG1-CG2 4.18Å; I835-T1046 HydrophobicContact CG2-CG2 4.16Å; L1029-T1046 WeakPolarHBondContact CA-O 3.43Å; D1030-T1046 PolarHBondContact N-O 2.65Å; D1030-T1046 VanDerWaalsContact N-O 3.09Å; D1030-T1046 PolarHBondContact O-N 3.27Å
1047G83.9Confident67.7Low0 Ų039.7 Ų39.70%022%0.222CC..EExtended strand (participates in β ladder)trans179.2178.6174.800000113.3S833 F834S833-G1047 WeakPolarHBondContact CA-O 3.35Å; F834-G1047 WeakPolarHBondContact CD1-O 3.38Å; F834-G1047 PolarHBondContact N-O 2.99Å; F834-G1047 PolarHBondContact O-N 3.44Å; F834-G1047 VanDerWaalsContact O-N 3.14Å
1048M82.4Confident65.8Low1 Ų143.6 Ų43.61%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-126.8121.1-177.7-110.9-89.8-76.500111.8I1026 N1027 L1050 T1172 P1173 L1174I1026-M1048 VanDerWaalsContact CA-O 3.32Å; I1026-M1048 WeakPolarHBondContact CA-O 3.48Å; N1027-M1048 PolarHBondContact N-O 3.36Å; N1027-M1048 PolarHBondContact O-N 3.2Å; M1048-L1050 HydrophobicContact CE-CD2 4Å; M1048-T1172 WeakPolarHBondContact CE-OG1 3.39Å; M1048-P1173 HydrophobicContact CB-CG 4.08Å; M1048-P1173 HydrophobicContact CG-CG 3.85Å; M1048-L1174 HydrophobicContact CB-CD1 4.32Å; M1048-L1174 HydrophobicContact CB-CD2 4.36Å; M1048-L1174 HydrophobicContact CB-CG 4Å; M1048-L1174 HydrophobicContact CE-CB 4.47Å; M1048-L1174 HydrophobicContact CE-CD1 3.44Å; M1048-L1174 VanDerWaalsContact CE-CD1 3.44Å; M1048-L1174 HydrophobicContact CE-CG 3.81Å; M1048-L1174 HydrophobicContact CG-CG 4.19Å
1049I82.3Confident64.1Low2 Ų248 Ų481%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-88.8118.1178-56.7150.1000108.7S831 N832 F834 F1018 Y1021 C1024 I1025 I1026S831-I1049 CarbonylContact C-O 3.54Å; S831-I1049 WeakPolarHBondContact CA-O 3.35Å; N832-I1049 HydrophobicContact CB-CB 4.49Å; N832-I1049 PolarHBondContact N-O 2.94Å; N832-I1049 WeakPolarHBondContact O-CB 3.31Å; N832-I1049 PolarHBondContact O-N 2.85Å; F834-I1049 HydrophobicContact CD1-CD1 3.79Å; F834-I1049 HydrophobicContact CD1-CG1 3.86Å; F834-I1049 HydrophobicContact CE1-CD1 4.43Å; F834-I1049 HydrophobicContact CE1-CG1 4.09Å; F1018-I1049 HydrophobicContact CD1-CD1 3.5Å; F1018-I1049 HydrophobicContact CD2-CD1 3.92Å; F1018-I1049 HydrophobicContact CD2-CG1 4.39Å; F1018-I1049 HydrophobicContact CE1-CD1 3.46Å; F1018-I1049 VanDerWaalsContact CE1-CD1 3.46Å; F1018-I1049 HydrophobicContact CE2-CD1 3.85Å; F1018-I1049 HydrophobicContact CE2-CG1 4.5Å; F1018-I1049 HydrophobicContact CG-CD1 3.76Å; F1018-I1049 HydrophobicContact CG-CG1 4.47Å; F1018-I1049 HydrophobicContact CZ-CD1 3.64Å; Y1021-I1049 HydrophobicContact CD2-CG2 4.38Å; Y1021-I1049 HydrophobicContact CG-CG2 4.4Å; C1024-I1049 HydrophobicContact CB-CG2 4.23Å; I1025-I1049 CarbonylContact O-C 3.54Å; I1025-I1049 WeakPolarHBondContact O-CA 3.28Å; I1026-I1049 HydrophobicContact CD1-CG1 4.27Å; I1026-I1049 HydrophobicContact CG1-CG1 3.99Å
1050L78.1Confident62.4Low6 Ų648.6 Ų48.63%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-104.9123.1170.4-60.3176.2000108.7Y829 C1024 I1025 M1048 P1178Y829-L1050 HydrophobicContact CD1-CB 4.32Å; C1024-L1050 CarbonylContact C-O 3.6Å; C1024-L1050 VanDerWaalsContact CA-O 3.31Å; C1024-L1050 WeakPolarHBondContact CA-O 2.9Å; C1024-L1050 VanDerWaalsContact CB-O 3.27Å; C1024-L1050 WeakPolarHBondContact CB-O 3.49Å; I1025-L1050 PolarHBondContact N-O 3.06Å; I1025-L1050 PolarHBondContact O-N 3.47Å; M1048-L1050 HydrophobicContact CE-CD2 4Å; L1050-P1178 HydrophobicContact CD1-CG 4.08Å; L1050-P1178 HydrophobicContact CD2-CG 4.06Å
1051H75Confident60.4Low26 Ų2652.9 Ų52.912%0.1229%0.289CS..EExtended strand (participates in β ladder)trans-136.6145.5177.780.7-70.7000111.7Y829 Q830 Y1021 C1024Y829-H1051 CarbonylContact C-O 3.54Å; Y829-H1051 WeakPolarHBondContact CA-O 3.39Å; Q830-H1051 WeakPolarHBondContact CB-CE1 3.08Å; Q830-H1051 PolarHBondContact N-O 2.86Å; Q830-H1051 PolarHBondContact O-N 2.81Å; Q830-H1051 VanDerWaalsContact O-N 3.11Å; Q830-H1051 PolarHBondContact O-ND1 3.02Å; Y1021-H1051 HydrophobicContact CD1-CB 4.39Å; Y1021-H1051 AromaticContact CD1-CD2 3.64Å; Y1021-H1051 AromaticContact CD1-CE1 3.74Å; Y1021-H1051 AromaticContact CD1-CG 3.72Å; Y1021-H1051 AromaticContact CD1-ND1 3.81Å; Y1021-H1051 AromaticContact CD1-NE2 3.63Å; Y1021-H1051 AromaticContact CE1-CE1 3.81Å; Y1021-H1051 AromaticContact CE1-NE2 3.9Å; C1024-H1051 HydrophobicContact CB-CB 3.78Å
1052P67.2Low58Low26 Ų2660.9 Ų60.917%0.16933%0.327CS..EExtended strand (participates in β ladder)trans-78.2133.1-173.732.5-35000111.5W827 Y829 P1023W827-P1052 HydrophobicContact CE3-CB 3.75Å; W827-P1052 HydrophobicContact CZ3-CB 3.76Å; W827-P1052 HydrophobicContact CZ3-CG 4.18Å; Y829-P1052 HydrophobicContact CE1-CB 4.44Å; P1023-P1052 HydrophobicContact CG-CG 4.44Å; P1023-P1052 WeakPolarHBondContact O-CD 3.24Å
1053T59.8Low55.6Low43 Ų4369.9 Ų69.926%0.26437%0.366SS..  trans-85.8117.2171.662.70000110.2N828 Q830 S1055N828-T1053 VanDerWaalsContact CB-OG1 3.25Å; N828-T1053 WeakPolarHBondContact CB-OG1 3.47Å; N828-T1053 PolarHBondContact O-N 3.01Å; N828-T1053 PolarHBondContact O-OG1 2.86Å; N828-T1053 VanDerWaalsContact O-OG1 3.11Å; Q830-T1053 HydrophobicContact CB-CG2 3.91Å; Q830-T1053 HydrophobicContact CG-CG2 3.52Å; T1053-S1055 PolarHBondContact O-N 3.34Å
1054N45.9Very low52.9Low125 Ų12577.8 Ų77.867%0.66840%0.403SS*.  trans-7373.4175.1-73.9-21.1000111.6S1056N1054-S1056 PolarHBondContact O-N 3.12Å
1055S30.5Very low50.3Low95 Ų9586.9 Ų86.966%0.66445%0.445SS*.THydrogen-bonded Turntrans-76.544.8-178.261.20000113.9T1053T1053-S1055 PolarHBondContact O-N 3.34Å
1056S27.6Very low47.3Very low83 Ų8393 Ų9358%0.5848%0.482SS*.THydrogen-bonded Turntrans-154.515.4178.975.40000116.1N1054N1054-S1056 PolarHBondContact O-N 3.12Å
1057I28.8Very low44.5Very low131 Ų131100.6 Ų100.667%0.67252%0.519SS*.  trans-10899.6168.6-58.7-179.1000108.6
1058T27.5Very low41.7Very low113 Ų113110.5 Ų110.569%0.69356%0.562SS**  trans-68.2140.3174.443.10000111N1060T1058-N1060 PolarHBondContact O-N 3.23Å
1059R26.4Very low39Very low173 Ų173118.9 Ų118.965%0.65361%0.607SS**SBendtrans-46.7102.6178.5-62.3168.5178.5140.72111.7I1161 D1162R1059-I1161 PolarHBondContact NH2-O 3.32Å; R1059-D1162 IonicContact CZ-OD2 3.39Å; R1059-D1162 IonicContact NH1-OD2 3.15Å; R1059-D1162 PolarHBondContact NH1-OD2 3.36Å; R1059-D1162 VanDerWaalsContact NH1-OD2 3.11Å; R1059-D1162 IonicContact NH2-OD2 3.69Å; R1059-D1162 PolarHBondContact NH2-OD2 2.93Å
1060N27.5Very low36.4Very low132 Ų132122.8 Ų122.871%0.70664%0.64SS**  trans-150.9-38.2171.3-96.3-34.9000114.6T1058 E1062T1058-N1060 PolarHBondContact O-N 3.23Å; N1060-E1062 PolarHBondContact O-N 3.44Å
1061D29.8Very low34Very low131 Ų131131.5 Ų131.570%0.70168%0.68SS**  trans-86.93.1-169.7-65.8-46000116.4K1063D1061-K1063 PolarHBondContact O-N 3.11Å
1062E29Very low31.9Very low169 Ų169135.9 Ų135.979%0.7971%0.714SS**THydrogen-bonded Turntrans-71.428.7178.8-67.5-163.7115.300114.8N1060N1060-E1062 PolarHBondContact O-N 3.44Å
1063K29Very low30Very low188 Ų188141.4 Ų141.482%0.81774%0.742SS**THydrogen-bonded Turntrans-117.3-1179.2-78.7-172.3175.4178.90115.8D1061D1061-K1063 PolarHBondContact O-N 3.11Å
1064Q26.6Very low28.5Very low167 Ų167145.8 Ų145.878%0.7876%0.764SS**SBendtrans-109.85.1-172.4-64.3-163.4200116.8
1065H28Very low27.7Very low198 Ų198144.1 Ų144.192%0.91776%0.762SS**  trans-119.245.6178-84.9-46.5000115.3
1066T24.2Very low27.6Very low130 Ų130144.9 Ų144.980%0.79877%0.767SS**  trans-12566.2165.755.10000111.7
1067M24.4Very low27.7Very low174 Ų174146.3 Ų146.386%0.85778%0.777SS**  trans-128.698.2167.7-76.4-168.473.300110.7
1068F25.2Very low27.8Very low208 Ų208144.4 Ų144.491%0.91278%0.775SS**  trans179.984.2140.5-102-64.1000109.3
1069N25.9Very low27.9Very low177 Ų177145 Ų14595%0.94778%0.779SS**  trans-157.9135.4151.4-111.7-5.4000107.2
1070A28.1Very low28.2Very low84 Ų84141 Ų14169%0.69478%0.778SS**  trans-104.5148.7-17200000111.9
1071Q27.8Very low28.6Very low189 Ų189141.1 Ų141.188%0.88378%0.778SS**  trans50.496.3148.7-66169.8-25.200118.2
1072S30.3Very low28.9Very low118 Ų118140.4 Ų140.483%0.82577%0.774SS**  -150.8151.112064.40000110.4
1073N26.7Very low29.3Very low141 Ų141138.3 Ų138.375%0.75477%0.769SS**  trans-63.4170.2179.2-47.5-15.2000110.6
1074D29.4Very low29.6Very low135 Ų135134.9 Ų134.972%0.72276%0.759SS**  cis-158.6160.935.5-132.8-55.7000117.1
1075S28Very low30.2Very low90 Ų90133.7 Ų133.763%0.62975%0.753SS**  trans15.3141.2160.135.50000125.2
1076S30.3Very low30.5Very low112 Ų112131.2 Ų131.278%0.78375%0.747SS**  trans71148.315176.30000117.9
1077S29.2Very low31Very low112 Ų112129.9 Ų129.978%0.78374%0.743SS**  cis168.4161-14.766.50000104.1
1078S30.4Very low31.6Very low91 Ų91128.5 Ų128.564%0.63674%0.739SS**  cis-161.1165.2958.60000110.9
1079T30.1Very low32.1Very low127 Ų127123 Ų12378%0.77973%0.726SS**  trans63.1145.5147.647.20000121.1
1080S32.3Very low32.4Very low88 Ų88120.9 Ų120.962%0.61572%0.719SS**  cis-170.2167.6-8.548.90000113.7
1081N35.6Very low32.7Very low134 Ų134120 Ų12072%0.71772%0.719SS**  trans74141.8152.6-63.3-7.7000119.6
1082N36.8Very low32.8Very low116 Ų116117 Ų11762%0.6271%0.709SS**  cis-163.9152-8.5-115.3-8.2000114.3
1083N36.7Very low32.8Very low126 Ų126119.6 Ų119.667%0.67471%0.706SS**  trans63.5154153.5-55.2-17.3000118.8
1084N35.9Very low33Very low115 Ų115118.7 Ų118.762%0.61570%0.701SS**  cis-173167.6-21.3-95.4-16.7000107.2
1085H38Very low33.2Very low143 Ų143117.5 Ų117.566%0.66270%0.698SS**  cis-159.9152.8-0.4-116.8-10.2000111.1
1086N34.6Very low33.3Very low145 Ų145119.8 Ų119.878%0.77570%0.704SS**  20.3148.4129.2-65.1-0.7000121.9
1087S36.2Very low33.4Very low102 Ų102121.3 Ų121.371%0.71370%0.703SS**  cis-147.7-1638.961.10000110.7
1088N35.6Very low33.6Very low145 Ų145123.1 Ų123.178%0.77570%0.704SS**  cis-165173.90.8-124.86.9000106.6
1089S36.4Very low33.5Very low93 Ų93125.2 Ų125.265%0.6571%0.708SS**  cis-167.3161.4-1741.40000111.9
1090V33Very low33.4Very low132 Ų132125.9 Ų125.980%0.871%0.706SS**  trans-20.5147.5155-170.70000117.1
1091G32.8Very low33.3Very low67 Ų67126.2 Ų126.269%0.69172%0.715SS**  cis174.8-155.98.200000110
1092N30.4Very low32.9Very low124 Ų124127.8 Ų127.866%0.66372%0.723SS**  cis-176.3142.4-14.4-113.441000110.4
1093F30.9Very low32.4Very low173 Ų173125.8 Ų125.876%0.75973%0.73SS**  trans65.4153.5161.4-72.3-128.1000116.8
1094D30.8Very low31.8Very low123 Ų123131.4 Ų131.466%0.65874%0.741SS**  cis-160.6150-10.6-118.38.7000112.5
1095V32.5Very low31.3Very low110 Ų110136.3 Ų136.367%0.66776%0.757SS**  trans71.2143136.8173.90000123.6
1096D31.3Very low30.8Very low138 Ų138134.7 Ų134.774%0.73877%0.769SS**  trans65.2120.9164-62.2-15.5000125.5
1097D32.6Very low30.3Very low143 Ų143132.6 Ų132.677%0.76577%0.765SS**  trans59.2143.6135.3-66.7-15.3000127.7
1098D31.7Very low29.9Very low151 Ų151134.9 Ų134.981%0.80777%0.768SS**  trans72.2139.1152.1-78.1-19.6000126.2
1099D30.1Very low29.4Very low134 Ų134137.7 Ų137.772%0.71777%0.774SS**  trans50.6101.6154-91.5-27.8000123.9
1100N27.5Very low28.9Very low141 Ų141141.6 Ų141.675%0.75479%0.787SS**  58.787104.8-171.315.6000120
1101A29.9Very low28.5Very low96 Ų96146.8 Ų146.879%0.79379%0.792SS**  trans-159.4132.1142.600000116
1102N27Very low28.3Very low167 Ų167148.5 Ų148.589%0.89379%0.794SS**  trans-30124.5166.3-60.8-64000117.9
1103G26.7Very low28.1Very low73 Ų73151.2 Ų151.275%0.75380%0.8SS**  trans-160.940.8-173.500000121.2
1104R24.9Very low27.9Very low244 Ų244151.3 Ų151.392%0.92180%0.8SS**  trans48.196.8161.8-60.3174.2177.5155.9-1.6118.6
1105K25.3Very low27.6Very low218 Ų218153.5 Ų153.595%0.94881%0.806SS**  trans177.8105.2137.7-98.4150.5-173.1175.10110.9
1106A25.7Very low27.4Very low110 Ų110154.9 Ų154.991%0.90981%0.809SS**  trans-112.9113.8171.500000109.7
1107S25.5Very low27.2Very low100 Ų100157.1 Ų157.170%0.69981%0.814SS**  trans-149.3137.4175.5-170.10000110.2
1108I27.1Very low26.9Very low151 Ų151158.3 Ų158.377%0.77481%0.813SS**SBendtrans54.788.1169.7-53.3154.6000115.1
1109K25.3Very low26.7Very low204 Ų204155.3 Ų155.389%0.88780%0.802SS**  trans-175.194141.4-102154.5-172.61750110.7
1110N24.9Very low26.6Very low174 Ų174155.5 Ų155.593%0.9381%0.808SS**  trans-154.398158.5-120.5-20.4000110.2
1111R26.1Very low26.8Very low241 Ų241155.5 Ų155.591%0.90981%0.807SS**  trans-116.598.4175.4-171.5-179.5-171.7-174.84.3107.3K1113R1111-K1113 PolarHBondContact O-N 2.92Å
1112S27.5Very low26.8Very low104 Ų104157 Ų15773%0.72780%0.801SS**  trans-60.7116.8-174.940.70000111.3F1114S1112-F1114 PolarHBondContact O-N 3.15Å
1113K26Very low27Very low181 Ų181154.4 Ų154.479%0.78780%0.796SS**  trans-73.1108.5170.6-73.3176.9178.3172.20108.7R1111 H1115R1111-K1113 PolarHBondContact O-N 2.92Å; K1113-H1115 PolarHBondContact O-N 3.12Å; K1113-H1115 VanDerWaalsContact O-N 3.07Å
1114F26.7Very low27.2Very low175 Ų175160.9 Ų160.977%0.76880%0.798SS**  trans-65.9106.7160.4-93.1-84.3000109S1112 L1116S1112-F1114 PolarHBondContact O-N 3.15Å; F1114-L1116 PolarHBondContact O-N 2.73Å
1115H25.9Very low27.4Very low168 Ų168156.3 Ų156.378%0.77879%0.791SS**  trans-72.582167.3-92.7-109.7000109.4K1113 H1117K1113-H1115 PolarHBondContact O-N 3.12Å; K1113-H1115 VanDerWaalsContact O-N 3.07Å; H1115-H1117 PolarHBondContact O-N 3.5Å
1116L27.7Very low27.7Very low140 Ų140156.1 Ų156.173%0.73379%0.79SS**  trans-66.4122.2163-169.774.7000107.9F1114 K1118F1114-L1116 PolarHBondContact O-N 2.73Å; L1116-K1118 PolarHBondContact O-N 2.85Å
1117H27.9Very low28Very low184 Ų184154.8 Ų154.885%0.85277%0.774SS**  trans-62.2106.3173.8-125.9-83.6000108.6H1115 P1119H1115-H1117 PolarHBondContact O-N 3.5Å; H1117-P1119 WeakPolarHBondContact O-CD 3.3Å
1118K25.8Very low28.2Very low168 Ų168156.4 Ų156.473%0.7378%0.775SS**  trans-68.2126.2176.7-75.9-178.6176.8177.10109.1L1116 T1120L1116-K1118 PolarHBondContact O-N 2.85Å; K1118-T1120 PolarHBondContact O-N 3.05Å
1119P27.5Very low28.2Very low88 Ų88157.7 Ų157.757%0.57178%0.782SS**  trans-62.2124.315327.3-31.6000107.9H1117 L1121H1117-P1119 WeakPolarHBondContact O-CD 3.3Å; P1119-L1121 PolarHBondContact O-N 3Å
1120T28Very low28.3Very low138 Ų138157.4 Ų157.485%0.84778%0.781SS**THydrogen-bonded Turntrans-80.246.6-164270000114.3K1118K1118-T1120 PolarHBondContact O-N 3.05Å
1121L32.2Very low28.4Very low141 Ų141154 Ų15474%0.73877%0.771SS**THydrogen-bonded Turntrans-126.73.2-174.5-84.7171.7000116.3P1119P1119-L1121 PolarHBondContact O-N 3Å
1122L28.6Very low28.5Very low128 Ų128153.9 Ų153.967%0.6777%0.77SS**SBendtrans-112.218.7-168.9-94.1156.6000116.3F1016F1016-L1122 HydrophobicContact CZ-CD1 4.42Å
1123S31.3Very low28.4Very low113 Ų113154.5 Ų154.579%0.7978%0.775SS**SBendtrans-128.314.3178.9640000115.8
1124R31Very low28.5Very low209 Ų209154.2 Ų154.279%0.78978%0.781SS**SBendtrans-119.7-15.9171.3-77.1-173.6171.8177.2-2.9114.9K1126R1124-K1126 PolarHBondContact O-N 2.85Å
1125L29.3Very low28.6Very low148 Ų148149.1 Ų149.178%0.77578%0.778SS**THydrogen-bonded Turntrans-75.834.1-177.1-70.3165.7000114.9
1126K31.2Very low28.7Very low214 Ų214150.3 Ų150.393%0.9378%0.781SS**THydrogen-bonded Turntrans-133.20.2-179.1-88-165.8172.2-171.50116R1124R1124-K1126 PolarHBondContact O-N 2.85Å
1127S32.2Very low28.7Very low82 Ų82153.6 Ų153.657%0.57378%0.783SS**SBendtrans-104.6-34.3-179.946.10000114.8
1128D29.3Very low28.8Very low134 Ų134149.8 Ų149.872%0.71777%0.773SS**  trans-96.9-0.9-153.4-56-12.7000115.3K1130D1128-K1130 PolarHBondContact O-N 2.97Å
1129L28.3Very low29.1Very low177 Ų177148 Ų14893%0.92778%0.776SS**THydrogen-bonded Turntrans-75.255.2176.4-76.5168.8000112.4
1130K26.4Very low29.2Very low198 Ų198151.1 Ų151.186%0.86179%0.788SS**THydrogen-bonded Turntrans-15524.2-177.1-130.3175.4-174-179.50118.1D1128D1128-K1130 PolarHBondContact O-N 2.97Å
1131S27.6Very low29.1Very low102 Ų102147.9 Ų147.971%0.71378%0.782SS**  trans-155.2165.5165.377.20000114.9
1132R27.5Very low29.1Very low239 Ų239150.2 Ų150.290%0.90279%0.792SS**  trans72.9100.5167.1-68.8-177163.5179.8-5.8118.4
1133S26.7Very low28.9Very low117 Ų117151.8 Ų151.882%0.81880%0.798SS**  trans-68.5163.1163.649.90000113.8
1134L26.5Very low29.1Very low175 Ų175154.5 Ų154.592%0.91680%0.802SS**  trans-54.7147.6174.2-88.359.8000114
1135G29.2Very low28.9Very low68 Ų68149.6 Ų149.670%0.70179%0.791SS**  trans-115.7138.9161.500000110.8
1136K28.2Very low29Very low194 Ų194148.2 Ų148.284%0.84379%0.785SS**  trans-77.9154.7-172.8-63.7178.4177.9179.80113.5T1138K1136-T1138 HydrophobicContact CB-CG2 4.29Å; K1136-T1138 HydrophobicContact CD-CG2 4.43Å
1137R28.4Very low28.9Very low208 Ų208144 Ų14479%0.78577%0.772SS**  trans-127162.5134.1-77.6-159.5175.7-163.5-1.2109.5
1138T29.1Very low28.8Very low105 Ų105147.2 Ų147.264%0.64478%0.783SS**  trans-141.8142-153.447.80000112.6K1136K1136-T1138 HydrophobicContact CB-CG2 4.29Å; K1136-T1138 HydrophobicContact CD-CG2 4.43Å
1139T32.7Very low28.9Very low129 Ų129148.6 Ų148.679%0.79179%0.789SS**  trans-179.3139.3145.931.70000106.2
1140D28.9Very low28.9Very low154 Ų154145.9 Ų145.982%0.82478%0.782SS**  cis-154.9164.6-21.7-92.9-35000108.1
1141G27.3Very low28.8Very low70 Ų70142.6 Ų142.672%0.72278%0.778SS**  trans112.7113.715700000118.2
1142M31Very low28.9Very low190 Ų190147.1 Ų147.194%0.93679%0.788SS**  trans65.7115.6160.6-57.8-169.773.200118.9
1143M25.4Very low28.9Very low161 Ų161143.9 Ų143.979%0.79378%0.783SS**  trans-103.3138.8167.6-59171.869.300109.5
1144I34.6Very low28.9Very low171 Ų171148 Ų14888%0.87779%0.786SS**  trans-125.7147.1151.1-61-178000106.1
1145N28.1Very low28.7Very low106 Ų106146.9 Ų146.957%0.56778%0.776SS**  trans-127157.4-152.4-128.254.2000110.8
1146N29.9Very low28.4Very low119 Ų119150.1 Ų150.164%0.63679%0.787SS**  trans70.4147.9165.3-6047.4000116
1147D29Very low28.1Very low125 Ų125147.4 Ų147.467%0.66878%0.775SS**  cis-158.6177.1-14.9-100.9-22.2000109.7
1148D30.8Very low28Very low149 Ų149145.5 Ų145.580%0.79778%0.775SS**  trans63.3118.5163.6-65.4-34.1000121
1149I30.8Very low27.7Very low164 Ų164147.7 Ų147.784%0.84178%0.778SS**  -179139120-94159.1000109.5
1150P28.4Very low27.3Very low120 Ų120149.4 Ų149.478%0.77978%0.775SS**PPolyproline II helixtrans-89.5165.8-16034.5-38.4000116.7
1151T24.3Very low27.2Very low128 Ų128149.5 Ų149.579%0.78577%0.773SS**PPolyproline II helixtrans-76.6132178.3520000114.4
1152E31Very low27.1Very low198 Ų198150.4 Ų150.493%0.92576%0.762SS**PPolyproline II helixtrans-100.9158.6152-76.1-151.7131.900112.1
1153Q26.1Very low26.8Very low171 Ų171151.3 Ų151.380%0.79976%0.761SS**  trans-114.3131-164.9-60.1-175.28.800114.1Q1155Q1153-Q1155 PolarHBondContact O-N 2.99Å
1154K26.2Very low26.7Very low202 Ų202152.9 Ų152.988%0.87877%0.766SS**  trans24.385.7143.3-64.2173.4-179.8164.40117.1
1155Q22.3Very low26.5Very low152 Ų152153 Ų15371%0.7176%0.763SS**  trans-159.994.8146.1-117.3170.2104.300112.4Q1153Q1153-Q1155 PolarHBondContact O-N 2.99Å
1156C23.6Very low26.7Very low136 Ų136153.6 Ų153.692%0.91976%0.764SS**  trans-117.7102.2159.7-164.10000107.5
1157K23.2Very low27.5Very low138 Ų138153.4 Ų153.460%0.677%0.773SS**  trans-88.6161.2179.9-74.3159.9164.7158.40109.7Q1159K1157-Q1159 PolarHBondContact O-N 2.98Å
1158Q25Very low29.4Very low167 Ų167149.5 Ų149.578%0.7876%0.762SS**SBendtrans-53.3109.5157.2-82.991.3-33.300110.2
1159Q22.9Very low32Very low152 Ų152143.6 Ų143.671%0.7173%0.732SS**  trans-164.4147.8163.5-111.3155.510.500109.9K1157K1157-Q1159 PolarHBondContact O-N 2.98Å
1160F25Very low34.7Very low164 Ų164137.5 Ų137.572%0.71970%0.7SS**  trans63.147.7177.2-59.3-73.9000118D1162F1160-D1162 HydrophobicContact CD1-CB 4.41Å; F1160-D1162 PolarHBondContact O-N 3.3Å; F1160-D1162 VanDerWaalsContact O-N 3.13Å
1161I27.3Very low37.6Very low156 Ų156132.4 Ų132.480%0.867%0.667SS**  trans-71.384.9134-59.3173000106.6R1059R1059-I1161 PolarHBondContact NH2-O 3.32Å
1162D23.7Very low40.5Very low89 Ų89126.3 Ų126.348%0.47663%0.629SS.*SBendtrans-166.6117.7171.6-88-57.9000109.2R1059 F1160R1059-D1162 IonicContact CZ-OD2 3.39Å; R1059-D1162 IonicContact NH1-OD2 3.15Å; R1059-D1162 PolarHBondContact NH1-OD2 3.36Å; R1059-D1162 VanDerWaalsContact NH1-OD2 3.11Å; R1059-D1162 IonicContact NH2-OD2 3.69Å; R1059-D1162 PolarHBondContact NH2-OD2 2.93Å; F1160-D1162 HydrophobicContact CD1-CB 4.41Å; F1160-D1162 PolarHBondContact O-N 3.3Å; F1160-D1162 VanDerWaalsContact O-N 3.13Å
1163K25.5Very low43.2Very low210 Ų210117.7 Ų117.791%0.91359%0.591SS**SBendtrans65.545.1167.7-53-177.5179.6179.80119.8
1164Q23.7Very low46Very low193 Ų193109.9 Ų109.990%0.90255%0.554SS**  trans-103.1143.8151.4-75.4-170.7-14.500110.6
1165H28.9Very low48.9Very low175 Ų175100.4 Ų100.481%0.8151%0.513SS*.  trans-63.7148.5-177-103.6-118.2000112.2S1167H1165-S1167 PolarHBondContact O-N 3.12Å
1166I33.3Very low51.7Low117 Ų11796.1 Ų96.160%0.650%0.5SS*.  trans-73.877.9165.6-54.4173.5000107.6G1168 W1267I1166-G1168 PolarHBondContact O-N 3.01Å; I1166-G1168 VanDerWaalsContact O-N 3.09Å; I1166-W1267 HydrophobicContact CD1-CZ2 4.35Å
1167S46.3Very low54.5Low116 Ų11689.8 Ų89.881%0.81146%0.457SS*.  trans-84.846.4-178.3-59.30000112.1H1165H1165-S1167 PolarHBondContact O-N 3.12Å
1168G69.1Low57Low43 Ų4385.1 Ų85.144%0.44344%0.441SS..SBendtrans-152.6141.1179.200000110.8I1166I1166-G1168 PolarHBondContact O-N 3.01Å; I1166-G1168 VanDerWaalsContact O-N 3.09Å
1169C85.5Confident59.3Low25 Ų2579 Ų7917%0.16941%0.414CS..  trans-71.2128.6-178.9-178.70000111.4L1171 T1225 N1231C1169-L1171 PolarHBondContact O-N 2.53Å; C1169-T1225 WeakPolarHBondContact SG-CG2 3.26Å; C1169-N1231 WeakPolarHBondContact CA-O 3.33Å
1170I88.2Confident62.1Low35 Ų3572.3 Ų72.318%0.17938%0.383CS..EExtended strand (participates in β ladder)trans-81.4107.3175.7-58172.9000108.9T1172 I1177 N1231 A1232 L1233 I1265 W1267I1170-T1172 HydrophobicContact CG2-CG2 4.48Å; I1170-I1177 HydrophobicContact CG2-CD1 3.85Å; I1170-N1231 PolarHBondContact N-O 2.9Å; I1170-A1232 HydrophobicContact CB-CB 4.26Å; I1170-A1232 CarbonylContact O-C 3.54Å; I1170-A1232 WeakPolarHBondContact O-CA 3.41Å; I1170-L1233 PolarHBondContact O-N 3.19Å; I1170-I1265 HydrophobicContact CD1-CD1 4.14Å; I1170-W1267 HydrophobicContact CD1-CZ2 4.04Å
1171L87.9Confident64.9Low14 Ų1469.4 Ų69.47%0.07337%0.368CS..EExtended strand (participates in β ladder)trans-81.2135.8169.9-47.7-177.2000108.5S833 C1169 Q1218 V1221 L1233 Y1236S833-L1171 WeakPolarHBondContact CB-O 3.23Å; S833-L1171 PolarHBondContact OG-O 3.18Å; C1169-L1171 PolarHBondContact O-N 2.53Å; L1171-Q1218 HydrophobicContact CD1-CB 3.71Å; L1171-Q1218 HydrophobicContact CD1-CG 3.53Å; L1171-V1221 HydrophobicContact CD2-CG1 4.48Å; L1171-L1233 HydrophobicContact CD2-CB 3.79Å; L1171-L1233 HydrophobicContact CD2-CD2 4.13Å; L1171-Y1236 HydrophobicContact CB-CD2 4.37Å; L1171-Y1236 HydrophobicContact CB-CG 4.32Å; L1171-Y1236 HydrophobicContact CD1-CE2 4.23Å
1172T86.9Confident67.8Low0 Ų062.7 Ų62.70%033%0.334CS..  trans-154.6129.3-179.4160.90000112.8M1048 I1170 L1174 I1177 L1233 L1234 S1235 Y1236M1048-T1172 WeakPolarHBondContact CE-OG1 3.39Å; I1170-T1172 HydrophobicContact CG2-CG2 4.48Å; T1172-L1174 PolarHBondContact O-N 2.83Å; T1172-L1174 WeakPolarHBondContact OG1-CB 3.33Å; T1172-L1174 PolarHBondContact OG1-N 3.49Å; T1172-I1177 HydrophobicContact CG2-CD1 3.68Å; T1172-I1177 HydrophobicContact CG2-CG1 3.85Å; T1172-L1233 WeakPolarHBondContact CG2-O 3.23Å; T1172-L1233 PolarHBondContact N-O 3.49Å; T1172-L1234 HydrophobicContact CG2-CD2 3.74Å; T1172-L1234 CarbonylContact O-C 3.55Å; T1172-S1235 PolarHBondContact O-N 2.89Å; T1172-Y1236 WeakPolarHBondContact O-CB 3.21Å; T1172-Y1236 PolarHBondContact O-N 3.04Å
1173P85.7Confident70.8Confident17 Ų1761.4 Ų61.411%0.1133%0.325CS..SBendtrans-66.3-11.3169.625-35.5000115.1A1028 M1048 Y1236A1028-P1173 HydrophobicContact CB-CB 4.21Å; A1028-P1173 HydrophobicContact CB-CG 4.44Å; M1048-P1173 HydrophobicContact CB-CG 4.08Å; M1048-P1173 HydrophobicContact CG-CG 3.85Å; P1173-Y1236 VanDerWaalsContact CA-O 3.3Å; P1173-Y1236 WeakPolarHBondContact CA-O 3.18Å; P1173-Y1236 WeakPolarHBondContact CB-O 3.31Å
1174L86.1Confident73.8Confident6 Ų652.9 Ų52.93%0.03129%0.294CS..SBendtrans-78142.1173-53.1-173.7000111.6E785 N1027 A1028 M1048 T1172 S1176 S1235E785-L1174 HydrophobicContact CB-CD2 4.24Å; E785-L1174 HydrophobicContact CG-CD2 4.27Å; N1027-L1174 HydrophobicContact CB-CD2 3.88Å; A1028-L1174 HydrophobicContact CB-CD2 3.64Å; M1048-L1174 HydrophobicContact CB-CD1 4.32Å; M1048-L1174 HydrophobicContact CB-CD2 4.36Å; M1048-L1174 HydrophobicContact CB-CG 4Å; M1048-L1174 HydrophobicContact CE-CB 4.47Å; M1048-L1174 HydrophobicContact CE-CD1 3.44Å; M1048-L1174 VanDerWaalsContact CE-CD1 3.44Å; M1048-L1174 HydrophobicContact CE-CG 3.81Å; M1048-L1174 HydrophobicContact CG-CG 4.19Å; T1172-L1174 PolarHBondContact O-N 2.83Å; T1172-L1174 WeakPolarHBondContact OG1-CB 3.33Å; T1172-L1174 PolarHBondContact OG1-N 3.49Å; L1174-S1176 VanDerWaalsContact CB-O 3.29Å; L1174-S1176 WeakPolarHBondContact CB-O 3.49Å; L1174-S1176 PolarHBondContact O-N 3.37Å; L1174-S1235 PolarHBondContact O-N 3.07Å
1175S85.9Confident76.8Confident3 Ų344.8 Ų44.82%0.02126%0.255CS..SBendtrans-66.9-19.8171.2-570000113.4C149 T151 E785 S1235C149-S1175 VanDerWaalsContact CB-CB 3.48Å; C149-S1175 WeakPolarHBondContact CB-OG 3.14Å; T151-S1175 VanDerWaalsContact OG1-CB 3.24Å; T151-S1175 WeakPolarHBondContact OG1-CB 3.39Å; T151-S1175 PolarHBondContact OG1-OG 2.96Å; E785-S1175 VanDerWaalsContact CD-OG 3.24Å; E785-S1175 PolarHBondContact OE1-OG 3.17Å; E785-S1175 WeakPolarHBondContact OE2-CA 3.49Å; E785-S1175 WeakPolarHBondContact OE2-CB 3.38Å; E785-S1175 PolarHBondContact OE2-N 3.11Å; E785-S1175 PolarHBondContact OE2-OG 3.03Å; S1175-S1235 WeakPolarHBondContact CA-OG 3.36Å; S1175-S1235 PolarHBondContact OG-OG 3.26Å
1176S82.4Confident79.7Confident62 Ų6237 Ų3743%0.43422%0.22SC..SBendtrans-149.9147.3173.859.90000111.1L1174L1174-S1176 VanDerWaalsContact CB-O 3.29Å; L1174-S1176 WeakPolarHBondContact CB-O 3.49Å; L1174-S1176 PolarHBondContact O-N 3.37Å
1177I81.7Confident82.3Confident4 Ų432.1 Ų32.12%0.02120%0.199CC..  trans-98.6130.8176.6-65.8158.1000108.7I1170 T1172 T1180 A1232 L1234 I1265I1170-I1177 HydrophobicContact CG2-CD1 3.85Å; T1172-I1177 HydrophobicContact CG2-CD1 3.68Å; T1172-I1177 HydrophobicContact CG2-CG1 3.85Å; I1177-T1180 HydrophobicContact CB-CG2 4.13Å; I1177-T1180 HydrophobicContact CG2-CG2 3.85Å; I1177-T1180 PolarHBondContact O-N 3.17Å; I1177-T1180 PolarHBondContact O-OG1 3.48Å; I1177-A1232 HydrophobicContact CD1-CB 4.29Å; I1177-L1234 HydrophobicContact CD1-CD2 4.12Å; I1177-L1234 HydrophobicContact CG1-CD2 4.34Å; I1177-I1265 HydrophobicContact CD1-CD1 3.77Å
1178P75.1Confident84.5Confident39 Ų3927.1 Ų27.125%0.25316%0.163SC..THydrogen-bonded Turntrans-53.4144176.4-27.735.6000113.3Y829 L1050 T1180Y829-P1178 HydrophobicContact CD2-CB 4.47Å; L1050-P1178 HydrophobicContact CD1-CG 4.08Å; L1050-P1178 HydrophobicContact CD2-CG 4.06Å; P1178-T1180 PolarHBondContact O-N 2.69Å
1179N73.5Confident85.6Confident39 Ų3925.1 Ų25.121%0.20914%0.142CC..THydrogen-bonded Turntrans60.521.2-179.7-45.2-22.3000114.6W827 N828 E1268W827-N1179 PolarHBondContact O-ND2 2.98Å; N828-N1179 WeakPolarHBondContact CA-ND2 3.46Å; N1179-E1268 PolarHBondContact O-N 2.96Å
1180T81.8Confident85.8Confident12 Ų1224.2 Ų24.27%0.07414%0.135CC..EExtended strand (participates in β ladder)trans-123159.2171.973.40000111.1Q154 I1177 P1178 I1265 S1266 W1267Q154-T1180 PolarHBondContact NE2-O 3.24Å; I1177-T1180 HydrophobicContact CB-CG2 4.13Å; I1177-T1180 HydrophobicContact CG2-CG2 3.85Å; I1177-T1180 PolarHBondContact O-N 3.17Å; I1177-T1180 PolarHBondContact O-OG1 3.48Å; P1178-T1180 PolarHBondContact O-N 2.69Å; T1180-I1265 HydrophobicContact CG2-CD1 4.11Å; T1180-S1266 CarbonylContact C-O 3.55Å; T1180-S1266 VanDerWaalsContact CA-O 3.29Å; T1180-S1266 WeakPolarHBondContact CA-O 3.49Å; T1180-S1266 WeakPolarHBondContact CB-O 3.43Å; T1180-W1267 HydrophobicContact CG2-CD2 3.93Å; T1180-W1267 HydrophobicContact CG2-CE3 3.46Å; T1180-W1267 VanDerWaalsContact CG2-CE3 3.46Å; T1180-W1267 HydrophobicContact CG2-CH2 3.97Å; T1180-W1267 HydrophobicContact CG2-CZ2 4.39Å; T1180-W1267 HydrophobicContact CG2-CZ3 3.48Å; T1180-W1267 VanDerWaalsContact CG2-CZ3 3.48Å
1181Y85.4Confident85.9Confident103 Ų10323.7 Ų23.740%0.40413%0.132SC..EExtended strand (participates in β ladder)trans-127.3138.4165.567.4-79.1000110.7Q154 E1183 I1265 S1266Q154-Y1181 VanDerWaalsContact OE1-CA 3.32Å; Y1181-E1183 HydrophobicContact CD2-CG 4.31Å; Y1181-E1183 HydrophobicContact CE2-CG 3.78Å; Y1181-E1183 PolarHBondContact O-N 2.91Å; Y1181-I1265 WeakPolarHBondContact O-CA 3.35Å; Y1181-S1266 WeakPolarHBondContact CD1-O 3.22Å; Y1181-S1266 PolarHBondContact N-O 3.14Å; Y1181-S1266 PolarHBondContact O-N 3.22Å
1182V87.6Confident86.1Confident15 Ų1523.7 Ų23.79%0.09113%0.131CC..EExtended strand (participates in β ladder)trans-72.7113.1171.9-177.70000109.1Q154 Y1185 L1234 A1263 I1265Q154-V1182 HydrophobicContact CB-CB 4.4Å; Q154-V1182 HydrophobicContact CB-CG2 4.34Å; V1182-Y1185 HydrophobicContact CB-CD2 4.37Å; V1182-Y1185 HydrophobicContact CB-CE2 3.87Å; V1182-Y1185 HydrophobicContact CG1-CD2 3.52Å; V1182-Y1185 HydrophobicContact CG1-CE2 3.51Å; V1182-Y1185 HydrophobicContact CG1-CG 4.06Å; V1182-Y1185 HydrophobicContact CG2-CE2 4.11Å; V1182-L1234 HydrophobicContact CG2-CD1 3.76Å; V1182-A1263 HydrophobicContact CG1-CB 4.04Å; V1182-I1265 HydrophobicContact CG2-CG2 3.93Å
1183E86.7Confident86.3Confident61 Ų6124.3 Ų24.329%0.28513%0.134SC..EExtended strand (participates in β ladder)trans-71.4-42.6172.7-60.3-168.8163.200111.1Y1181 R1264 S1266Y1181-E1183 HydrophobicContact CD2-CG 4.31Å; Y1181-E1183 HydrophobicContact CE2-CG 3.78Å; Y1181-E1183 PolarHBondContact O-N 2.91Å; E1183-R1264 PolarHBondContact N-O 3.29Å; E1183-R1264 IonicContact OE2-CZ 2.77Å; E1183-R1264 IonicContact OE2-NE 3.11Å; E1183-R1264 PolarHBondContact OE2-NE 2.7Å; E1183-R1264 IonicContact OE2-NH2 3.53Å; E1183-R1264 PolarHBondContact OE2-NH2 3.37Å; E1183-S1266 VanDerWaalsContact CD-OG 3.32Å; E1183-S1266 VanDerWaalsContact OE1-CB 3.24Å; E1183-S1266 WeakPolarHBondContact OE1-CB 3.48Å; E1183-S1266 PolarHBondContact OE1-OG 2.75Å
1184A87.3Confident86.5Confident31 Ų3123.5 Ų23.526%0.25613%0.129SC..EExtended strand (participates in β ladder)trans-151.4126.7-177.700000111.1L1186 A1263 R1264A1184-L1186 HydrophobicContact CB-CD2 4.32Å; A1184-A1263 WeakPolarHBondContact O-CA 3.38Å; A1184-R1264 PolarHBondContact N-O 3.03Å; A1184-R1264 PolarHBondContact O-N 2.76Å
1185Y88.7Confident86.7Confident23 Ų2324.2 Ų24.29%0.0913%0.131CC..EExtended strand (participates in β ladder)trans-76.5138.3157.9-72.4-93.9000108.8Q101 Y147 P153 Q154 F156 V1182 L1234Q101-Y1185 PolarHBondContact NE2-O 3.17Å; Y147-Y1185 HydrophobicContact CD1-CD1 4.21Å; Y147-Y1185 HydrophobicContact CD1-CE1 4.39Å; Y147-Y1185 AromaticContact CE1-CD1 3.75Å; Y147-Y1185 HydrophobicContact CE1-CD1 3.75Å; Y147-Y1185 HydrophobicContact CE1-CD2 4.44Å; Y147-Y1185 HydrophobicContact CE1-CE1 4.19Å; Y147-Y1185 AromaticContact CE1-CG 3.89Å; Y147-Y1185 HydrophobicContact CE1-CG 3.89Å; P153-Y1185 WeakPolarHBondContact CA-OH 3.23Å; P153-Y1185 HydrophobicContact CB-CD2 4.42Å; P153-Y1185 HydrophobicContact CB-CE1 4.29Å; P153-Y1185 HydrophobicContact CB-CE2 3.76Å; Q154-Y1185 PolarHBondContact N-OH 3.01Å; F156-Y1185 AromaticContact CE2-CD2 3.92Å; F156-Y1185 HydrophobicContact CE2-CD2 3.92Å; F156-Y1185 HydrophobicContact CE2-CE2 4.34Å; V1182-Y1185 HydrophobicContact CB-CD2 4.37Å; V1182-Y1185 HydrophobicContact CB-CE2 3.87Å; V1182-Y1185 HydrophobicContact CG1-CD2 3.52Å; V1182-Y1185 HydrophobicContact CG1-CE2 3.51Å; V1182-Y1185 HydrophobicContact CG1-CG 4.06Å; V1182-Y1185 HydrophobicContact CG2-CE2 4.11Å; Y1185-L1234 HydrophobicContact CE1-CD1 4.03Å
1186L88.3Confident86.8Confident12 Ų1224.9 Ų24.96%0.06313%0.134CC..EExtended strand (participates in β ladder)trans-108.7-29.2-173.4-57.5174.8000112Q101 A1184 L1228 G1230 M1262Q101-L1186 VanDerWaalsContact NE2-C 3.27Å; Q101-L1186 VanDerWaalsContact NE2-CA 3.29Å; Q101-L1186 PolarHBondContact NE2-O 2.72Å; Q101-L1186 PolarHBondContact OE1-O 2.99Å; A1184-L1186 HydrophobicContact CB-CD2 4.32Å; L1186-L1228 HydrophobicContact CD1-CB 4.09Å; L1186-G1230 VanDerWaalsContact CD1-N 3.29Å; L1186-M1262 HydrophobicContact CB-CB 4.1Å; L1186-M1262 WeakPolarHBondContact CB-O 3.38Å; L1186-M1262 PolarHBondContact N-O 2.84Å
1187G88.8Confident87.1Confident15 Ų1522.4 Ų22.416%0.15512%0.116CC..EExtended strand (participates in β ladder)trans154.1171.1173.600000111.3M1262G1187-M1262 WeakPolarHBondContact O-CB 3.28Å; G1187-M1262 PolarHBondContact O-N 3.26Å
1188N91.8Very high87.3Confident10 Ų1025.2 Ų25.25%0.05313%0.133CC..EExtended strand (participates in β ladder)trans-72.1159.7162.756.5-60.2000110.5F146 Q204 D1190 G1260 M1262F146-N1188 HydrophobicContact CB-CB 4.26Å; Q204-N1188 PolarHBondContact NE2-ND2 2.72Å; Q204-N1188 PolarHBondContact OE1-ND2 3.43Å; N1188-D1190 PolarHBondContact ND2-OD2 3.19Å; N1188-G1260 CarbonylContact C-O 3.59Å; N1188-G1260 WeakPolarHBondContact CA-O 3.37Å; N1188-M1262 WeakPolarHBondContact O-CE 3.39Å
1189L91.7Very high87.8Confident2 Ų226.6 Ų26.61%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-132.3130170.3177.3147.5000108F1191 V1221 H1224 L1233 C1259 G1260 M1262L1189-F1191 HydrophobicContact CD1-CD1 4.36Å; L1189-F1191 HydrophobicContact CD1-CD2 4.43Å; L1189-F1191 HydrophobicContact CD1-CE1 4.32Å; L1189-F1191 HydrophobicContact CD1-CE2 4.4Å; L1189-F1191 HydrophobicContact CD1-CG 4.44Å; L1189-F1191 HydrophobicContact CD1-CZ 4.35Å; L1189-F1191 HydrophobicContact CD2-CB 3.97Å; L1189-F1191 HydrophobicContact CD2-CD1 4.12Å; L1189-F1191 HydrophobicContact CD2-CD2 4.47Å; L1189-F1191 HydrophobicContact CD2-CG 3.93Å; L1189-F1191 HydrophobicContact CG-CD1 3.81Å; L1189-F1191 HydrophobicContact CG-CE1 4.11Å; L1189-F1191 HydrophobicContact CG-CG 4.06Å; L1189-V1221 HydrophobicContact CD1-CG1 4.08Å; L1189-V1221 HydrophobicContact CD2-CG1 3.97Å; L1189-V1221 HydrophobicContact CD2-CG2 4.12Å; L1189-H1224 HydrophobicContact CD1-CB 4.36Å; L1189-L1233 HydrophobicContact CB-CD1 4.44Å; L1189-C1259 CarbonylContact O-C 3.59Å; L1189-C1259 VanDerWaalsContact O-CA 3.28Å; L1189-C1259 WeakPolarHBondContact O-CA 3.45Å; L1189-G1260 PolarHBondContact N-O 3.39Å; L1189-G1260 PolarHBondContact O-N 3.15Å; L1189-G1260 VanDerWaalsContact O-N 3.08Å; L1189-M1262 HydrophobicContact CB-CE 4.02Å; L1189-M1262 HydrophobicContact CB-CG 4.12Å; L1189-M1262 HydrophobicContact CB-SD 4.1Å; L1189-M1262 HydrophobicContact CD1-CE 4.46Å; L1189-M1262 HydrophobicContact CD1-CG 4.41Å; L1189-M1262 HydrophobicContact CD1-SD 3.75Å
1190D91.2Very high88.3Confident6 Ų625.5 Ų25.53%0.03213%0.133CC..EExtended strand (participates in β ladder)trans-137.886.1-176.5-70.1-67.7000109.5H148 Q204 L224 N1188 C1259H148-D1190 IonicContact CE1-OD1 2.7Å; H148-D1190 PolarHBondContact CE1-OD1 2.87Å; H148-D1190 IonicContact CE1-OD2 3.82Å; H148-D1190 IonicContact NE2-OD1 3.97Å; H148-D1190 PolarHBondContact NE2-OD1 3.44Å; H148-D1190 VanDerWaalsContact NE2-OD1 3.17Å; Q204-D1190 PolarHBondContact NE2-OD2 3.31Å; Q204-D1190 VanDerWaalsContact NE2-OD2 3.11Å; L224-D1190 HydrophobicContact CD2-CB 3.99Å; L224-D1190 WeakPolarHBondContact CD2-OD1 3.38Å; N1188-D1190 PolarHBondContact ND2-OD2 3.19Å; D1190-C1259 PolarHBondContact OD1-SG 3.22Å
1191F90.4Very high88.3Confident23 Ų2335 Ų3510%0.10117%0.167CC..EExtended strand (participates in β ladder)trans-115.2131.2-166.2-87.425.4000113.5D92 L1189 F1193 V1221 H1224 N1257 V1258D92-F1191 HydrophobicContact CB-CE1 4.04Å; L1189-F1191 HydrophobicContact CD1-CD1 4.36Å; L1189-F1191 HydrophobicContact CD1-CD2 4.43Å; L1189-F1191 HydrophobicContact CD1-CE1 4.32Å; L1189-F1191 HydrophobicContact CD1-CE2 4.4Å; L1189-F1191 HydrophobicContact CD1-CG 4.44Å; L1189-F1191 HydrophobicContact CD1-CZ 4.35Å; L1189-F1191 HydrophobicContact CD2-CB 3.97Å; L1189-F1191 HydrophobicContact CD2-CD1 4.12Å; L1189-F1191 HydrophobicContact CD2-CD2 4.47Å; L1189-F1191 HydrophobicContact CD2-CG 3.93Å; L1189-F1191 HydrophobicContact CG-CD1 3.81Å; L1189-F1191 HydrophobicContact CG-CE1 4.11Å; L1189-F1191 HydrophobicContact CG-CG 4.06Å; F1191-F1193 HydrophobicContact CB-CD2 4.39Å; F1191-F1193 HydrophobicContact CB-CE2 3.63Å; F1191-F1193 HydrophobicContact CB-CZ 4.27Å; F1191-F1193 HydrophobicContact CD2-CE2 4.16Å; F1191-F1193 AromaticContact CD2-CZ 3.95Å; F1191-F1193 HydrophobicContact CD2-CZ 3.95Å; F1191-F1193 HydrophobicContact CG-CE2 4.43Å; F1191-V1221 HydrophobicContact CD2-CG2 4.3Å; F1191-H1224 HydrophobicContact CE2-CB 4.41Å; F1191-H1224 AromaticContact CE2-CD2 3.95Å; F1191-H1224 AromaticContact CE2-CE1 3.86Å; F1191-H1224 AromaticContact CE2-CG 3.75Å; F1191-H1224 AromaticContact CE2-ND1 3.71Å; F1191-H1224 AromaticContact CZ-CE1 3.87Å; F1191-H1224 AromaticContact CZ-CG 3.97Å; F1191-H1224 AromaticContact CZ-ND1 3.53Å; F1191-N1257 PolarHBondContact O-OD1 3.03Å; F1191-V1258 PolarHBondContact N-O 2.79Å; F1191-V1258 PolarHBondContact O-N 3.3Å
1192F90.2Very high88.3Confident15 Ų1538 Ų387%0.06619%0.185CC..EExtended strand (participates in β ladder)trans-108.3119.4-175.3-60.2-89.2000112Q193 F196 L224 F226 N1257Q193-F1192 PolarHBondContact NE2-O 2.86Å; F196-F1192 HydrophobicContact CB-CB 4.1Å; F196-F1192 HydrophobicContact CB-CD1 3.7Å; F196-F1192 HydrophobicContact CB-CD2 4.04Å; F196-F1192 HydrophobicContact CB-CE1 4.2Å; F196-F1192 HydrophobicContact CB-CG 3.63Å; F196-F1192 HydrophobicContact CD2-CD1 4.18Å; F196-F1192 HydrophobicContact CG-CD1 4.36Å; L224-F1192 HydrophobicContact CD2-CZ 4.25Å; F226-F1192 HydrophobicContact CD1-CE1 4.02Å; F226-F1192 AromaticContact CD2-CE1 3.62Å; F226-F1192 HydrophobicContact CD2-CE1 3.62Å; F226-F1192 AromaticContact CD2-CZ 3.89Å; F226-F1192 HydrophobicContact CD2-CZ 3.89Å; F226-F1192 HydrophobicContact CE1-CD1 4.42Å; F226-F1192 AromaticContact CE1-CE1 3.78Å; F226-F1192 HydrophobicContact CE1-CE1 3.78Å; F226-F1192 HydrophobicContact CE1-CZ 4.08Å; F226-F1192 AromaticContact CE2-CE1 3.35Å; F226-F1192 HydrophobicContact CE2-CE1 3.35Å; F226-F1192 HydrophobicContact CE2-CE2 4.28Å; F226-F1192 AromaticContact CE2-CZ 3.16Å; F226-F1192 HydrophobicContact CE2-CZ 3.16Å; F226-F1192 AromaticContact CG-CE1 3.96Å; F226-F1192 HydrophobicContact CG-CE1 3.96Å; F226-F1192 HydrophobicContact CZ-CD1 4.4Å; F226-F1192 AromaticContact CZ-CE1 3.44Å; F226-F1192 HydrophobicContact CZ-CE1 3.44Å; F226-F1192 VanDerWaalsContact CZ-CE1 3.44Å; F226-F1192 HydrophobicContact CZ-CE2 4.08Å; F226-F1192 AromaticContact CZ-CZ 3.28Å; F226-F1192 HydrophobicContact CZ-CZ 3.28Å; F1192-N1257 HydrophobicContact CD1-CB 3.92Å; F1192-N1257 HydrophobicContact CE1-CB 3.68Å; F1192-N1257 WeakPolarHBondContact CE1-ND2 3.43Å; F1192-N1257 WeakPolarHBondContact CE1-OD1 3.11Å; F1192-N1257 HydrophobicContact CZ-CB 4.47Å; F1192-N1257 WeakPolarHBondContact CZ-OD1 3.15Å
1193F91.4Very high88Confident12 Ų1239.7 Ų39.75%0.05320%0.195CC..EExtended strand (participates in β ladder)trans-117.6126.8179.9-64-89.7000110.8Y112 F1191 V1217 V1220 V1221 L1255 L1256Y112-F1193 HydrophobicContact CD1-CD1 4.19Å; Y112-F1193 AromaticContact CE1-CD1 3.87Å; Y112-F1193 HydrophobicContact CE1-CD1 3.87Å; Y112-F1193 HydrophobicContact CE2-CD1 4.28Å; Y112-F1193 AromaticContact CZ-CD1 3.89Å; F1191-F1193 HydrophobicContact CB-CD2 4.39Å; F1191-F1193 HydrophobicContact CB-CE2 3.63Å; F1191-F1193 HydrophobicContact CB-CZ 4.27Å; F1191-F1193 HydrophobicContact CD2-CE2 4.16Å; F1191-F1193 AromaticContact CD2-CZ 3.95Å; F1191-F1193 HydrophobicContact CD2-CZ 3.95Å; F1191-F1193 HydrophobicContact CG-CE2 4.43Å; F1193-V1217 HydrophobicContact CB-CG2 3.7Å; F1193-V1217 HydrophobicContact CD1-CG2 3.75Å; F1193-V1217 HydrophobicContact CD2-CB 4.25Å; F1193-V1217 HydrophobicContact CD2-CG1 3.61Å; F1193-V1217 HydrophobicContact CD2-CG2 3.68Å; F1193-V1217 HydrophobicContact CE1-CG2 4.23Å; F1193-V1217 HydrophobicContact CE2-CB 4.34Å; F1193-V1217 HydrophobicContact CE2-CG1 3.56Å; F1193-V1217 HydrophobicContact CE2-CG2 4.16Å; F1193-V1217 HydrophobicContact CG-CB 4.44Å; F1193-V1217 HydrophobicContact CG-CG1 4.27Å; F1193-V1217 HydrophobicContact CG-CG2 3.43Å; F1193-V1217 VanDerWaalsContact CG-CG2 3.43Å; F1193-V1217 HydrophobicContact CZ-CG1 4.19Å; F1193-V1217 HydrophobicContact CZ-CG2 4.4Å; F1193-V1220 HydrophobicContact CE1-CB 4.13Å; F1193-V1220 HydrophobicContact CE1-CG1 3.98Å; F1193-V1220 HydrophobicContact CE1-CG2 4.22Å; F1193-V1220 HydrophobicContact CZ-CB 3.98Å; F1193-V1220 HydrophobicContact CZ-CG1 3.77Å; F1193-V1221 HydrophobicContact CE2-CG2 4.09Å; F1193-V1221 HydrophobicContact CZ-CG2 4.27Å; F1193-L1255 WeakPolarHBondContact O-CA 3.24Å; F1193-L1256 HydrophobicContact CB-CB 4.38Å; F1193-L1256 PolarHBondContact N-O 2.8Å; F1193-L1256 PolarHBondContact O-N 3.45Å
1194V90.5Very high87.6Confident1 Ų139.4 Ų39.41%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-109.6124.8168.1-178.80000108T114 N189 Q193 Q1253 C1254 L1255T114-V1194 WeakPolarHBondContact CA-O 2.96Å; T114-V1194 WeakPolarHBondContact CB-O 3.01Å; T114-V1194 WeakPolarHBondContact CG2-O 3.49Å; N189-V1194 HydrophobicContact CB-CB 4.17Å; N189-V1194 HydrophobicContact CB-CG1 3.69Å; N189-V1194 VanDerWaalsContact CG-CG1 3.48Å; N189-V1194 VanDerWaalsContact OD1-CG1 3.27Å; N189-V1194 WeakPolarHBondContact OD1-CG1 3.41Å; Q193-V1194 HydrophobicContact CG-CB 4.05Å; Q193-V1194 HydrophobicContact CG-CG2 3.75Å; V1194-Q1253 HydrophobicContact CG1-CG 4.33Å; V1194-C1254 WeakPolarHBondContact CA-O 3.11Å; V1194-L1255 HydrophobicContact CG2-CD1 3.65Å
1195R90.2Very high87Confident21 Ų2139.2 Ų39.28%0.07921%0.209CC..EExtended strand (participates in β ladder)trans-122.8135.1177.5-167.478.4173.569.64.4109.3Y112 T114 M115 H116 F1209 E1216 Q1253 C1254Y112-R1195 VanDerWaalsContact OH-CD 3.31Å; Y112-R1195 WeakPolarHBondContact OH-CD 3.26Å; T114-R1195 CarbonylContact O-C 3.48Å; T114-R1195 WeakPolarHBondContact O-CA 3.4Å; T114-R1195 WeakPolarHBondContact O-CD 3.37Å; T114-R1195 PolarHBondContact O-NH1 3.14Å; T114-R1195 VanDerWaalsContact O-NH1 3.14Å; M115-R1195 PolarHBondContact O-NH1 2.85Å; H116-R1195 PolarHBondContact O-NH2 2.83Å; R1195-F1209 HydrophobicContact CB-CE2 4.46Å; R1195-F1209 HydrophobicContact CB-CZ 4.06Å; R1195-F1209 HydrophobicContact CG-CE2 3.69Å; R1195-F1209 HydrophobicContact CG-CZ 3.79Å; R1195-E1216 WeakPolarHBondContact CD-OE2 3.32Å; R1195-E1216 IonicContact CZ-OE1 3.14Å; R1195-E1216 IonicContact CZ-OE2 3.65Å; R1195-E1216 IonicContact NE-OE1 2.7Å; R1195-E1216 IonicContact NE-OE2 3.23Å; R1195-E1216 PolarHBondContact NE-OE2 2.93Å; R1195-E1216 IonicContact NH2-OE1 3.07Å; R1195-E1216 PolarHBondContact NH2-OE1 3.31Å; R1195-E1216 IonicContact NH2-OE2 3.5Å; R1195-Q1253 CarbonylContact O-C 3.55Å; R1195-Q1253 VanDerWaalsContact O-CA 3.28Å; R1195-Q1253 WeakPolarHBondContact O-CA 3.5Å; R1195-C1254 PolarHBondContact N-O 3.2Å; R1195-C1254 PolarHBondContact O-N 2.73Å
1196E89.1Confident86.4Confident17 Ų1738.4 Ų38.48%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-130.6142.7176.5-175.3-175.7153.800109.8T114 M115 S185 N189 A1252 Q1253T114-E1196 PolarHBondContact O-N 3.39Å; M115-E1196 WeakPolarHBondContact CA-O 3.28Å; M115-E1196 HydrophobicContact CE-CB 4.04Å; M115-E1196 HydrophobicContact CE-CG 3.8Å; M115-E1196 HydrophobicContact SD-CB 3.81Å; M115-E1196 HydrophobicContact SD-CG 4.01Å; S185-E1196 WeakPolarHBondContact CB-OE1 3.45Å; S185-E1196 WeakPolarHBondContact CB-OE2 3.41Å; S185-E1196 PolarHBondContact OG-OE1 3.37Å; N189-E1196 PolarHBondContact ND2-OE2 2.85Å; E1196-A1252 CarbonylContact C-O 3.55Å; E1196-A1252 WeakPolarHBondContact CA-O 3.38Å; E1196-Q1253 HydrophobicContact CB-CG 4.46Å
1197T88.2Confident85.5Confident10 Ų1040.6 Ų40.66%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-131.7143.8172.1-173.20000111.4D1199 L1200 F1209 Q1251 A1252T1197-D1199 PolarHBondContact OG1-N 2.92Å; T1197-D1199 VanDerWaalsContact OG1-N 3.15Å; T1197-L1200 HydrophobicContact CG2-CB 4.29Å; T1197-L1200 HydrophobicContact CG2-CD1 4.21Å; T1197-F1209 HydrophobicContact CG2-CD2 3.45Å; T1197-F1209 VanDerWaalsContact CG2-CD2 3.45Å; T1197-F1209 HydrophobicContact CG2-CE2 3.51Å; T1197-F1209 HydrophobicContact CG2-CG 4.05Å; T1197-F1209 HydrophobicContact CG2-CZ 4.14Å; T1197-Q1251 VanDerWaalsContact O-CA 3.26Å; T1197-Q1251 WeakPolarHBondContact O-CA 3.49Å; T1197-A1252 HydrophobicContact CG2-CB 4.16Å; T1197-A1252 PolarHBondContact N-O 3.06Å; T1197-A1252 PolarHBondContact O-N 3.46Å; T1197-A1252 VanDerWaalsContact O-N 3.12Å
1198T86.1Confident85Confident62 Ų6240.8 Ų40.838%0.3823%0.225SC..SBendtrans-92-9.7170.337.30000113.6M115 N1250 Q1251M115-T1198 HydrophobicContact CE-CG2 4.49Å; T1198-N1250 CarbonylContact C-O 3.58Å; T1198-N1250 PolarHBondContact O-ND2 2.84Å; T1198-Q1251 HydrophobicContact CG2-CG 4.37Å
1199D85.3Confident84.7Confident68 Ų6840.4 Ų40.436%0.36422%0.223SC..  trans-130.338.3-159.8-59.2-68000112.1T1197 R1201 E1202 V1203 N1250T1197-D1199 PolarHBondContact OG1-N 2.92Å; T1197-D1199 VanDerWaalsContact OG1-N 3.15Å; D1199-R1201 PolarHBondContact O-N 3.34Å; D1199-E1202 HydrophobicContact CB-CB 4.44Å; D1199-E1202 HydrophobicContact CB-CG 4.43Å; D1199-E1202 WeakPolarHBondContact O-CA 3.4Å; D1199-E1202 WeakPolarHBondContact O-CB 3.45Å; D1199-E1202 PolarHBondContact O-N 2.87Å; D1199-V1203 PolarHBondContact O-N 2.84Å; D1199-N1250 WeakPolarHBondContact CA-ND2 3.16Å; D1199-N1250 PolarHBondContact N-O 3.48Å
1200L82.8Confident84.1Confident16 Ų1640.4 Ų40.48%0.08422%0.223CC..THydrogen-bonded Turntrans-48.8-39.9-171.5-175.762.6000113.9T1197 E1202 V1203 G1205 I1206 F1209 N1250 A1252T1197-L1200 HydrophobicContact CG2-CB 4.29Å; T1197-L1200 HydrophobicContact CG2-CD1 4.21Å; L1200-E1202 VanDerWaalsContact C-N 3.34Å; L1200-E1202 PolarHBondContact O-N 2.78Å; L1200-V1203 PolarHBondContact O-N 2.84Å; L1200-G1205 WeakPolarHBondContact O-CA 3.48Å; L1200-G1205 PolarHBondContact O-N 2.82Å; L1200-I1206 HydrophobicContact CD1-CB 4.31Å; L1200-I1206 HydrophobicContact CD1-CD1 4.02Å; L1200-F1209 HydrophobicContact CD1-CB 3.97Å; L1200-F1209 HydrophobicContact CD1-CG 4.41Å; L1200-N1250 WeakPolarHBondContact CB-O 3.29Å; L1200-N1250 PolarHBondContact N-O 3.21Å; L1200-A1252 HydrophobicContact CD1-CB 3.8Å; L1200-A1252 HydrophobicContact CD2-CB 4.1Å; L1200-A1252 HydrophobicContact CG-CB 4.46Å
1201R82.2Confident83.6Confident211 Ų21146.7 Ų46.780%0.79625%0.252SS*.THydrogen-bonded Turntrans-63.4-34.4176.2-73.4166.7-173.7-167.81.3113.6D1199 G1204 N1250D1199-R1201 PolarHBondContact O-N 3.34Å; R1201-G1204 PolarHBondContact O-N 2.7Å; R1201-N1250 WeakPolarHBondContact CB-OD1 3.48Å; R1201-N1250 WeakPolarHBondContact CD-OD1 3.39Å; R1201-N1250 WeakPolarHBondContact CG-OD1 3.31Å; R1201-N1250 PolarHBondContact N-OD1 3Å
1202E85.6Confident83.4Confident167 Ų16748.3 Ų48.378%0.7826%0.264SS*.THydrogen-bonded Turntrans-78.6-32.7-179.1-54.1-160.1161.400111.9D1199 L1200 G1204D1199-E1202 HydrophobicContact CB-CB 4.44Å; D1199-E1202 HydrophobicContact CB-CG 4.43Å; D1199-E1202 WeakPolarHBondContact O-CA 3.4Å; D1199-E1202 WeakPolarHBondContact O-CB 3.45Å; D1199-E1202 PolarHBondContact O-N 2.87Å; L1200-E1202 VanDerWaalsContact C-N 3.34Å; L1200-E1202 PolarHBondContact O-N 2.78Å; E1202-G1204 PolarHBondContact O-N 2.84Å
1203V81.1Confident83.3Confident51 Ų5147.6 Ų47.631%0.30926%0.26SS..THydrogen-bonded Turntrans-74.51.4174.5-160.60000112.3D1199 L1200 G1208 F1209D1199-V1203 PolarHBondContact O-N 2.84Å; L1200-V1203 PolarHBondContact O-N 2.84Å; V1203-G1208 CarbonylContact O-C 3.48Å; V1203-G1208 WeakPolarHBondContact O-CA 3.34Å; V1203-F1209 HydrophobicContact CG1-CB 4.24Å
1204G77.7Confident83Confident55 Ų5547.7 Ų47.757%0.56726%0.261SS*.THydrogen-bonded Turntrans86.230.8179.100000114.2R1201 E1202R1201-G1204 PolarHBondContact O-N 2.7Å; E1202-G1204 PolarHBondContact O-N 2.84Å
1205G76.5Confident82.8Confident26 Ų2649.9 Ų49.927%0.26828%0.279SS..Hα-helixtrans74.8-175.7-176.500000112.7L1200 S1207 G1208 F1209L1200-G1205 WeakPolarHBondContact O-CA 3.48Å; L1200-G1205 PolarHBondContact O-N 2.82Å; G1205-S1207 VanDerWaalsContact C-N 3.26Å; G1205-S1207 PolarHBondContact O-N 3.29Å; G1205-G1208 PolarHBondContact O-N 2.74Å; G1205-G1208 VanDerWaalsContact O-N 3.1Å; G1205-F1209 PolarHBondContact O-N 3.25Å
1206I74.3Confident82.9Confident7 Ų750 Ų504%0.03628%0.281CS..Hα-helixtrans-63-32.7-173.4-161.472.3000112.9E839 L1200 F1209 L1210 V1243 A1252E839-I1206 VanDerWaalsContact CD-CG2 3.47Å; E839-I1206 WeakPolarHBondContact OE2-CG2 3.31Å; L1200-I1206 HydrophobicContact CD1-CB 4.31Å; L1200-I1206 HydrophobicContact CD1-CD1 4.02Å; I1206-F1209 HydrophobicContact CD1-CD1 3.72Å; I1206-F1209 HydrophobicContact CD1-CE1 4.36Å; I1206-F1209 PolarHBondContact O-N 2.95Å; I1206-L1210 HydrophobicContact CG1-CD1 3.86Å; I1206-L1210 HydrophobicContact CG1-CG 4.2Å; I1206-L1210 WeakPolarHBondContact O-CB 3.41Å; I1206-L1210 VanDerWaalsContact O-CG 3.28Å; I1206-L1210 WeakPolarHBondContact O-CG 3.04Å; I1206-L1210 PolarHBondContact O-N 2.95Å; I1206-V1243 HydrophobicContact CD1-CG1 3.59Å; I1206-V1243 HydrophobicContact CG1-CG1 3.79Å; I1206-A1252 HydrophobicContact CD1-CB 3.45Å; I1206-A1252 VanDerWaalsContact CD1-CB 3.45Å
1207S70.5Confident83Confident57 Ų5749.2 Ų49.240%0.39928%0.277SS..Hα-helixtrans-62.8-42.7175.1-173.80000112.1G1205 H1211G1205-S1207 VanDerWaalsContact C-N 3.26Å; G1205-S1207 PolarHBondContact O-N 3.29Å; S1207-H1211 VanDerWaalsContact O-CB 3.25Å; S1207-H1211 WeakPolarHBondContact O-CB 3.41Å; S1207-H1211 PolarHBondContact O-N 3.12Å
1208G78.9Confident83Confident19 Ų1951.5 Ų51.520%0.19629%0.287CS..Hα-helixtrans-70-40.5174.900000113V1203 G1205 T1212V1203-G1208 CarbonylContact O-C 3.48Å; V1203-G1208 WeakPolarHBondContact O-CA 3.34Å; G1205-G1208 PolarHBondContact O-N 2.74Å; G1205-G1208 VanDerWaalsContact O-N 3.1Å; G1208-T1212 WeakPolarHBondContact O-CB 3.15Å; G1208-T1212 PolarHBondContact O-N 2.89Å; G1208-T1212 PolarHBondContact O-OG1 3.1Å
1209F83.8Confident83.2Confident3 Ų350.8 Ų50.81%0.01329%0.288CS..Hα-helixtrans-59.8-49.9173.2172.4-109.2000112.4R1195 T1197 L1200 V1203 G1205 I1206 T1212 S1213 A1252 C1254R1195-F1209 HydrophobicContact CB-CE2 4.46Å; R1195-F1209 HydrophobicContact CB-CZ 4.06Å; R1195-F1209 HydrophobicContact CG-CE2 3.69Å; R1195-F1209 HydrophobicContact CG-CZ 3.79Å; T1197-F1209 HydrophobicContact CG2-CD2 3.45Å; T1197-F1209 VanDerWaalsContact CG2-CD2 3.45Å; T1197-F1209 HydrophobicContact CG2-CE2 3.51Å; T1197-F1209 HydrophobicContact CG2-CG 4.05Å; T1197-F1209 HydrophobicContact CG2-CZ 4.14Å; L1200-F1209 HydrophobicContact CD1-CB 3.97Å; L1200-F1209 HydrophobicContact CD1-CG 4.41Å; V1203-F1209 HydrophobicContact CG1-CB 4.24Å; G1205-F1209 PolarHBondContact O-N 3.25Å; I1206-F1209 HydrophobicContact CD1-CD1 3.72Å; I1206-F1209 HydrophobicContact CD1-CE1 4.36Å; I1206-F1209 PolarHBondContact O-N 2.95Å; F1209-T1212 PolarHBondContact O-N 3.3Å; F1209-S1213 WeakPolarHBondContact O-CB 3.33Å; F1209-S1213 PolarHBondContact O-N 2.88Å; F1209-S1213 PolarHBondContact O-OG 2.87Å; F1209-A1252 HydrophobicContact CD1-CB 4.23Å; F1209-A1252 HydrophobicContact CE1-CB 4.12Å; F1209-C1254 HydrophobicContact CE1-CB 4.1Å
1210L80.5Confident83.5Confident1 Ų147.9 Ų47.91%0.00527%0.272CS..Hα-helixtrans-68-39.6179.5-69.8169.1000112.3V837 Q1042 I1206 T1212 S1213 L1214 V1243 C1254V837-L1210 HydrophobicContact CG1-CD1 4.11Å; V837-L1210 HydrophobicContact CG2-CB 4.5Å; Q1042-L1210 VanDerWaalsContact NE2-CD1 3.27Å; I1206-L1210 HydrophobicContact CG1-CD1 3.86Å; I1206-L1210 HydrophobicContact CG1-CG 4.2Å; I1206-L1210 WeakPolarHBondContact O-CB 3.41Å; I1206-L1210 VanDerWaalsContact O-CG 3.28Å; I1206-L1210 WeakPolarHBondContact O-CG 3.04Å; I1206-L1210 PolarHBondContact O-N 2.95Å; L1210-T1212 VanDerWaalsContact C-N 3.3Å; L1210-T1212 PolarHBondContact O-N 2.87Å; L1210-S1213 PolarHBondContact O-N 2.78Å; L1210-L1214 WeakPolarHBondContact O-CB 3.32Å; L1210-L1214 VanDerWaalsContact O-CG 3.28Å; L1210-L1214 WeakPolarHBondContact O-CG 3.41Å; L1210-L1214 PolarHBondContact O-N 2.77Å; L1210-V1243 HydrophobicContact CD1-CG2 4.05Å; L1210-V1243 HydrophobicContact CD2-CG2 3.94Å; L1210-C1254 HydrophobicContact CD2-CB 3.81Å
1211H80.3Confident84Confident139 Ų13947.1 Ų47.164%0.64427%0.268SS*.Hα-helixtrans-62.6-38.6173.9-174.5-60.9000111.6S1207 A1215S1207-H1211 VanDerWaalsContact O-CB 3.25Å; S1207-H1211 WeakPolarHBondContact O-CB 3.41Å; S1207-H1211 PolarHBondContact O-N 3.12Å; H1211-A1215 WeakPolarHBondContact O-CB 3.22Å; H1211-A1215 PolarHBondContact O-N 3.07Å; H1211-A1215 VanDerWaalsContact O-N 3.12Å
1212T86.4Confident84.4Confident57 Ų5737.6 Ų37.635%0.3524%0.236SC..Hα-helixtrans-68-48.1176-55.50000110.6G1208 F1209 L1210 L1214 A1215 E1216G1208-T1212 WeakPolarHBondContact O-CB 3.15Å; G1208-T1212 PolarHBondContact O-N 2.89Å; G1208-T1212 PolarHBondContact O-OG1 3.1Å; F1209-T1212 PolarHBondContact O-N 3.3Å; L1210-T1212 VanDerWaalsContact C-N 3.3Å; L1210-T1212 PolarHBondContact O-N 2.87Å; T1212-L1214 PolarHBondContact O-N 2.71Å; T1212-A1215 PolarHBondContact O-N 2.97Å; T1212-A1215 VanDerWaalsContact O-N 3.15Å; T1212-E1216 WeakPolarHBondContact O-CG 3.35Å; T1212-E1216 PolarHBondContact O-N 2.89Å
1213S88.5Confident84.7Confident0 Ų030.6 Ų30.60%021%0.206CC..Hα-helixtrans-57.1-47.1177.7-53.80000112F1209 L1210 A1215 E1216 V1217F1209-S1213 WeakPolarHBondContact O-CB 3.33Å; F1209-S1213 PolarHBondContact O-N 2.88Å; F1209-S1213 PolarHBondContact O-OG 2.87Å; L1210-S1213 PolarHBondContact O-N 2.78Å; S1213-A1215 PolarHBondContact O-N 2.92Å; S1213-E1216 PolarHBondContact O-N 2.76Å; S1213-V1217 WeakPolarHBondContact O-CB 3.36Å; S1213-V1217 VanDerWaalsContact O-CG2 3.23Å; S1213-V1217 WeakPolarHBondContact O-CG2 3.36Å; S1213-V1217 PolarHBondContact O-N 2.83Å
1214L85.4Confident85.3Confident13 Ų1328.6 Ų28.67%0.06819%0.194CC..Hα-helixtrans-64.2-38.6177.3-73.2167.7000112.1I835 V837 L1210 T1212 V1217 Q1218 L1238 L1256I835-L1214 HydrophobicContact CD1-CD2 4.23Å; I835-L1214 HydrophobicContact CG2-CD1 4.08Å; V837-L1214 HydrophobicContact CG2-CD1 4.04Å; L1210-L1214 WeakPolarHBondContact O-CB 3.32Å; L1210-L1214 VanDerWaalsContact O-CG 3.28Å; L1210-L1214 WeakPolarHBondContact O-CG 3.41Å; L1210-L1214 PolarHBondContact O-N 2.77Å; T1212-L1214 PolarHBondContact O-N 2.71Å; L1214-V1217 PolarHBondContact O-N 3.04Å; L1214-Q1218 WeakPolarHBondContact O-CB 3.45Å; L1214-Q1218 WeakPolarHBondContact O-CG 3.19Å; L1214-Q1218 PolarHBondContact O-N 3.18Å; L1214-L1238 HydrophobicContact CD2-CD1 3.77Å; L1214-L1238 HydrophobicContact CD2-CD2 4.03Å; L1214-L1256 HydrophobicContact CD2-CD1 4.12Å; L1214-L1256 HydrophobicContact CD2-CD2 4.36Å; L1214-L1256 HydrophobicContact CG-CD1 4.48Å
1215A86.5Confident85.9Confident47 Ų4726 Ų2639%0.38817%0.167SC..Hα-helixtrans-67.6-40.5176.500000112.5H1211 T1212 S1213 A1219H1211-A1215 WeakPolarHBondContact O-CB 3.22Å; H1211-A1215 PolarHBondContact O-N 3.07Å; H1211-A1215 VanDerWaalsContact O-N 3.12Å; T1212-A1215 PolarHBondContact O-N 2.97Å; T1212-A1215 VanDerWaalsContact O-N 3.15Å; S1213-A1215 PolarHBondContact O-N 2.92Å; A1215-A1219 PolarHBondContact O-N 3.34Å; A1215-A1219 VanDerWaalsContact O-N 3.11Å
1216E90.8Very high86.6Confident24 Ų2428.2 Ų28.211%0.11218%0.175CC..Hα-helixtrans-59.5-48.6172.3-68.3168.5178.600110.8Y112 G117 I118 R1195 T1212 S1213 A1219 V1220Y112-E1216 HydrophobicContact CE2-CB 4.04Å; G117-E1216 VanDerWaalsContact CA-CD 3.45Å; G117-E1216 WeakPolarHBondContact CA-OE1 3.34Å; G117-E1216 VanDerWaalsContact CA-OE2 3.22Å; G117-E1216 WeakPolarHBondContact CA-OE2 3.25Å; I118-E1216 HydrophobicContact CD1-CB 4.14Å; I118-E1216 HydrophobicContact CD1-CG 4.35Å; I118-E1216 HydrophobicContact CG1-CB 4.23Å; I118-E1216 HydrophobicContact CG1-CG 4.3Å; R1195-E1216 WeakPolarHBondContact CD-OE2 3.32Å; R1195-E1216 IonicContact CZ-OE1 3.14Å; R1195-E1216 IonicContact CZ-OE2 3.65Å; R1195-E1216 IonicContact NE-OE1 2.7Å; R1195-E1216 IonicContact NE-OE2 3.23Å; R1195-E1216 PolarHBondContact NE-OE2 2.93Å; R1195-E1216 IonicContact NH2-OE1 3.07Å; R1195-E1216 PolarHBondContact NH2-OE1 3.31Å; R1195-E1216 IonicContact NH2-OE2 3.5Å; T1212-E1216 WeakPolarHBondContact O-CG 3.35Å; T1212-E1216 PolarHBondContact O-N 2.89Å; S1213-E1216 PolarHBondContact O-N 2.76Å; E1216-A1219 WeakPolarHBondContact O-CB 3.41Å; E1216-A1219 PolarHBondContact O-N 2.87Å; E1216-V1220 PolarHBondContact O-N 2.91Å; E1216-V1220 VanDerWaalsContact O-N 3.12Å
1217V90.9Very high87.3Confident0 Ų028.3 Ų28.30%018%0.177CC..Hα-helixtrans-62.9-43.8179.7165.40000112.2F1193 S1213 L1214 A1219 V1220 V1221 L1256 V1258F1193-V1217 HydrophobicContact CB-CG2 3.7Å; F1193-V1217 HydrophobicContact CD1-CG2 3.75Å; F1193-V1217 HydrophobicContact CD2-CB 4.25Å; F1193-V1217 HydrophobicContact CD2-CG1 3.61Å; F1193-V1217 HydrophobicContact CD2-CG2 3.68Å; F1193-V1217 HydrophobicContact CE1-CG2 4.23Å; F1193-V1217 HydrophobicContact CE2-CB 4.34Å; F1193-V1217 HydrophobicContact CE2-CG1 3.56Å; F1193-V1217 HydrophobicContact CE2-CG2 4.16Å; F1193-V1217 HydrophobicContact CG-CB 4.44Å; F1193-V1217 HydrophobicContact CG-CG1 4.27Å; F1193-V1217 HydrophobicContact CG-CG2 3.43Å; F1193-V1217 VanDerWaalsContact CG-CG2 3.43Å; F1193-V1217 HydrophobicContact CZ-CG1 4.19Å; F1193-V1217 HydrophobicContact CZ-CG2 4.4Å; S1213-V1217 WeakPolarHBondContact O-CB 3.36Å; S1213-V1217 VanDerWaalsContact O-CG2 3.23Å; S1213-V1217 WeakPolarHBondContact O-CG2 3.36Å; S1213-V1217 PolarHBondContact O-N 2.83Å; L1214-V1217 PolarHBondContact O-N 3.04Å; V1217-A1219 VanDerWaalsContact C-N 3.29Å; V1217-A1219 PolarHBondContact O-N 2.92Å; V1217-V1220 PolarHBondContact O-N 3.36Å; V1217-V1221 HydrophobicContact CG1-CG2 4.39Å; V1217-V1221 WeakPolarHBondContact O-CB 3.37Å; V1217-V1221 WeakPolarHBondContact O-CG2 3.22Å; V1217-V1221 PolarHBondContact O-N 3.4Å; V1217-L1256 HydrophobicContact CG2-CD1 4.16Å; V1217-V1258 HydrophobicContact CG1-CG2 3.54Å
1218Q88.8Confident88.2Confident59 Ų5926.5 Ų26.528%0.27616%0.162SC..Hα-helixtrans-62.2-35.1175.9-75.8179.7-13.900112.4I835 L1171 L1214 G1222 Y1236I835-Q1218 VanDerWaalsContact CD1-NE2 3.29Å; L1171-Q1218 HydrophobicContact CD1-CB 3.71Å; L1171-Q1218 HydrophobicContact CD1-CG 3.53Å; L1214-Q1218 WeakPolarHBondContact O-CB 3.45Å; L1214-Q1218 WeakPolarHBondContact O-CG 3.19Å; L1214-Q1218 PolarHBondContact O-N 3.18Å; Q1218-G1222 PolarHBondContact O-N 2.9Å; Q1218-Y1236 PolarHBondContact NE2-OH 3.21Å
1219A89.7Confident88.6Confident47 Ų4727.5 Ų27.539%0.38817%0.172SC..Hα-helixtrans-67.6-42174.800000112.4I118 A1215 E1216 V1217 A1223I118-A1219 HydrophobicContact CD1-CB 4.07Å; A1215-A1219 PolarHBondContact O-N 3.34Å; A1215-A1219 VanDerWaalsContact O-N 3.11Å; E1216-A1219 WeakPolarHBondContact O-CB 3.41Å; E1216-A1219 PolarHBondContact O-N 2.87Å; V1217-A1219 VanDerWaalsContact C-N 3.29Å; V1217-A1219 PolarHBondContact O-N 2.92Å; A1219-A1223 WeakPolarHBondContact O-CB 3.01Å; A1219-A1223 PolarHBondContact O-N 3.23Å
1220V92.5Very high88.9Confident7 Ų727.7 Ų27.74%0.04218%0.175CC..Hα-helixtrans-61-54173.81770000110.4P110 Y112 F1193 E1216 V1217 G1222 A1223 H1224P110-V1220 HydrophobicContact CB-CG2 4.08Å; P110-V1220 HydrophobicContact CG-CG2 4.37Å; Y112-V1220 HydrophobicContact CD2-CG2 4.34Å; F1193-V1220 HydrophobicContact CE1-CB 4.13Å; F1193-V1220 HydrophobicContact CE1-CG1 3.98Å; F1193-V1220 HydrophobicContact CE1-CG2 4.22Å; F1193-V1220 HydrophobicContact CZ-CB 3.98Å; F1193-V1220 HydrophobicContact CZ-CG1 3.77Å; E1216-V1220 PolarHBondContact O-N 2.91Å; E1216-V1220 VanDerWaalsContact O-N 3.12Å; V1217-V1220 PolarHBondContact O-N 3.36Å; V1220-G1222 VanDerWaalsContact C-N 3.3Å; V1220-G1222 PolarHBondContact O-N 3.12Å; V1220-A1223 WeakPolarHBondContact O-CB 3.19Å; V1220-A1223 PolarHBondContact O-N 3.02Å; V1220-H1224 PolarHBondContact O-CD2 2.7Å; V1220-H1224 VanDerWaalsContact O-CD2 3.28Å; V1220-H1224 PolarHBondContact O-N 2.97Å
1221V92.3Very high89.4Confident0 Ų030 Ų300%019%0.187CC..Hα-helixtrans-61.6-37.5-177.3169.80000112L1171 L1189 F1191 F1193 V1217 T1225 L1233 V1258L1171-V1221 HydrophobicContact CD2-CG1 4.48Å; L1189-V1221 HydrophobicContact CD1-CG1 4.08Å; L1189-V1221 HydrophobicContact CD2-CG1 3.97Å; L1189-V1221 HydrophobicContact CD2-CG2 4.12Å; F1191-V1221 HydrophobicContact CD2-CG2 4.3Å; F1193-V1221 HydrophobicContact CE2-CG2 4.09Å; F1193-V1221 HydrophobicContact CZ-CG2 4.27Å; V1217-V1221 HydrophobicContact CG1-CG2 4.39Å; V1217-V1221 WeakPolarHBondContact O-CB 3.37Å; V1217-V1221 WeakPolarHBondContact O-CG2 3.22Å; V1217-V1221 PolarHBondContact O-N 3.4Å; V1221-T1225 PolarHBondContact O-N 2.63Å; V1221-T1225 PolarHBondContact O-OG1 2.84Å; V1221-L1233 HydrophobicContact CG1-CD2 3.24Å; V1221-V1258 HydrophobicContact CG2-CG1 4.23Å
1222G92Very high89.9Confident11 Ų1123.3 Ų23.311%0.11316%0.157CC..Hα-helixtrans-64.9-39.7172.500000113.6Q1218 V1220 T1226Q1218-G1222 PolarHBondContact O-N 2.9Å; V1220-G1222 VanDerWaalsContact C-N 3.3Å; V1220-G1222 PolarHBondContact O-N 3.12Å; G1222-T1226 WeakPolarHBondContact O-CB 3.39Å; G1222-T1226 PolarHBondContact O-N 2.71Å; G1222-T1226 PolarHBondContact O-OG1 2.79Å
1223A92Very high90.2Very high19 Ų1920.6 Ų20.616%0.15714%0.14CC..Hα-helixtrans-65.5-44.7175.700000111.9P110 A1219 V1220 T1226 S1227P110-A1223 HydrophobicContact CG-CB 4.28Å; A1219-A1223 WeakPolarHBondContact O-CB 3.01Å; A1219-A1223 PolarHBondContact O-N 3.23Å; V1220-A1223 WeakPolarHBondContact O-CB 3.19Å; V1220-A1223 PolarHBondContact O-N 3.02Å; A1223-T1226 PolarHBondContact O-N 3.23Å; A1223-S1227 WeakPolarHBondContact O-CB 3.13Å; A1223-S1227 PolarHBondContact O-N 3.47Å
1224H92.2Very high90.3Very high9 Ų920.7 Ų20.74%0.04214%0.14CC..Hα-helixtrans-59.2-49.7175.3-81.7-103.2000111.7Y90 F91 F109 L1189 F1191 V1220 T1226 S1227 L1228Y90-H1224 PolarHBondContact O-CE1 2.77Å; F91-H1224 AromaticContact CD1-CE1 3.44Å; F91-H1224 VanDerWaalsContact CD1-CE1 3.44Å; F91-H1224 WeakPolarHBondContact CD1-CE1 3.28Å; F91-H1224 AromaticContact CD1-ND1 3.85Å; F91-H1224 AromaticContact CE1-CE1 3.32Å; F91-H1224 WeakPolarHBondContact CE1-CE1 3.44Å; F91-H1224 AromaticContact CE1-ND1 3.87Å; F91-H1224 AromaticContact CZ-CE1 3.97Å; F109-H1224 AromaticContact CD1-CD2 3.94Å; F109-H1224 AromaticContact CD1-NE2 3.76Å; L1189-H1224 HydrophobicContact CD1-CB 4.36Å; F1191-H1224 HydrophobicContact CE2-CB 4.41Å; F1191-H1224 AromaticContact CE2-CD2 3.95Å; F1191-H1224 AromaticContact CE2-CE1 3.86Å; F1191-H1224 AromaticContact CE2-CG 3.75Å; F1191-H1224 AromaticContact CE2-ND1 3.71Å; F1191-H1224 AromaticContact CZ-CE1 3.87Å; F1191-H1224 AromaticContact CZ-CG 3.97Å; F1191-H1224 AromaticContact CZ-ND1 3.53Å; V1220-H1224 PolarHBondContact O-CD2 2.7Å; V1220-H1224 VanDerWaalsContact O-CD2 3.28Å; V1220-H1224 PolarHBondContact O-N 2.97Å; H1224-T1226 VanDerWaalsContact C-N 3.32Å; H1224-T1226 PolarHBondContact O-N 3.15Å; H1224-S1227 PolarHBondContact O-N 3.49Å; H1224-S1227 VanDerWaalsContact O-N 3.17Å; H1224-S1227 PolarHBondContact O-OG 3.44Å; H1224-L1228 PolarHBondContact O-N 2.93Å
1225T91.5Very high90.6Very high0 Ų020.4 Ų20.40%014%0.139CC..Hα-helixtrans-57.4-44176.7-530000112C1169 V1221 S1227 L1228 G1230 A1232 M1262C1169-T1225 WeakPolarHBondContact SG-CG2 3.26Å; V1221-T1225 PolarHBondContact O-N 2.63Å; V1221-T1225 PolarHBondContact O-OG1 2.84Å; T1225-S1227 PolarHBondContact O-N 2.88Å; T1225-L1228 PolarHBondContact O-N 2.89Å; T1225-G1230 VanDerWaalsContact O-CA 3.26Å; T1225-G1230 WeakPolarHBondContact O-CA 3.44Å; T1225-G1230 PolarHBondContact O-N 3.07Å; T1225-A1232 WeakPolarHBondContact CG2-O 3.5Å; T1225-M1262 HydrophobicContact CG2-CB 4.12Å; T1225-M1262 HydrophobicContact CG2-CG 3.99Å
1226T91.7Very high90.7Very high73 Ų7318.3 Ų18.345%0.44812%0.122SC..Hα-helixtrans-65.5-37.6179-52.60000112.1G1222 A1223 H1224 L1228 G1229 G1230G1222-T1226 WeakPolarHBondContact O-CB 3.39Å; G1222-T1226 PolarHBondContact O-N 2.71Å; G1222-T1226 PolarHBondContact O-OG1 2.79Å; A1223-T1226 PolarHBondContact O-N 3.23Å; H1224-T1226 VanDerWaalsContact C-N 3.32Å; H1224-T1226 PolarHBondContact O-N 3.15Å; T1226-L1228 VanDerWaalsContact C-N 3.29Å; T1226-L1228 PolarHBondContact O-N 2.93Å; T1226-G1229 WeakPolarHBondContact O-CA 3.23Å; T1226-G1229 PolarHBondContact O-N 3.37Å; T1226-G1230 WeakPolarHBondContact CA-O 3.17Å
1227S88.8Confident90.5Very high10 Ų1019.4 Ų19.47%0.0713%0.126CC..Hα-helixtrans-71.4-17.8-177.3750000115.4L105 N106 F109 A1223 H1224 T1225 G1229L105-S1227 VanDerWaalsContact CD1-OG 3.25Å; L105-S1227 WeakPolarHBondContact CD1-OG 3.46Å; L105-S1227 WeakPolarHBondContact CG-OG 3.35Å; N106-S1227 PolarHBondContact N-O 3.39Å; F109-S1227 VanDerWaalsContact CE1-CB 3.47Å; F109-S1227 VanDerWaalsContact CE1-OG 3.27Å; F109-S1227 WeakPolarHBondContact CE1-OG 3.39Å; F109-S1227 WeakPolarHBondContact CZ-OG 3.2Å; A1223-S1227 WeakPolarHBondContact O-CB 3.13Å; A1223-S1227 PolarHBondContact O-N 3.47Å; H1224-S1227 PolarHBondContact O-N 3.49Å; H1224-S1227 VanDerWaalsContact O-N 3.17Å; H1224-S1227 PolarHBondContact O-OG 3.44Å; T1225-S1227 PolarHBondContact O-N 2.88Å; S1227-G1229 VanDerWaalsContact C-N 3.25Å
1228L88.1Confident90.3Very high19 Ų1919.9 Ų19.910%0.09913%0.129CC..THydrogen-bonded Turntrans-864.3168.4-67.5172.4000112.4P95 L96 L105 L1186 H1224 T1225 T1226 M1262P95-L1228 HydrophobicContact CB-CD1 4.09Å; L96-L1228 HydrophobicContact CD2-CD2 3.48Å; L96-L1228 VanDerWaalsContact CD2-CD2 3.48Å; L96-L1228 HydrophobicContact CG-CD2 4.28Å; L105-L1228 HydrophobicContact CB-CD2 4.03Å; L105-L1228 HydrophobicContact CD1-CD2 3.9Å; L105-L1228 HydrophobicContact CD1-CG 4.14Å; L105-L1228 HydrophobicContact CG-CD2 4.45Å; L1186-L1228 HydrophobicContact CD1-CB 4.09Å; H1224-L1228 PolarHBondContact O-N 2.93Å; T1225-L1228 PolarHBondContact O-N 2.89Å; T1226-L1228 VanDerWaalsContact C-N 3.29Å; T1226-L1228 PolarHBondContact O-N 2.93Å; L1228-M1262 HydrophobicContact CD1-CE 3.44Å; L1228-M1262 VanDerWaalsContact CD1-CE 3.44Å; L1228-M1262 HydrophobicContact CD1-SD 3.68Å
1229G88.1Confident89.8Confident39 Ų3917.3 Ų17.340%0.40212%0.118SC..THydrogen-bonded Turntrans79.216.3-172.900000113.9T1226 S1227 R1264T1226-G1229 WeakPolarHBondContact O-CA 3.23Å; T1226-G1229 PolarHBondContact O-N 3.37Å; S1227-G1229 VanDerWaalsContact C-N 3.25Å; G1229-R1264 WeakPolarHBondContact O-CD 3.08Å; G1229-R1264 WeakPolarHBondContact O-CG 3.32Å
1230G89.5Confident88.9Confident7 Ų717 Ų177%0.07211%0.108CC..  trans-82.1168.7174.200000113L1186 T1225 T1226 A1263L1186-G1230 VanDerWaalsContact CD1-N 3.29Å; T1225-G1230 VanDerWaalsContact O-CA 3.26Å; T1225-G1230 WeakPolarHBondContact O-CA 3.44Å; T1225-G1230 PolarHBondContact O-N 3.07Å; T1226-G1230 WeakPolarHBondContact CA-O 3.17Å; G1230-A1263 WeakPolarHBondContact CA-O 3.47Å
1231N91.2Very high87.7Confident49 Ų4917.7 Ų17.726%0.26211%0.113SC..  trans-1450.6173.262.6-9.3000112.9C1169 I1170 A1263 R1264 I1265C1169-N1231 WeakPolarHBondContact CA-O 3.33Å; I1170-N1231 PolarHBondContact N-O 2.9Å; N1231-A1263 PolarHBondContact N-O 3.21Å; N1231-R1264 WeakPolarHBondContact OD1-CA 3.16Å; N1231-I1265 PolarHBondContact ND2-O 2.83Å; N1231-I1265 WeakPolarHBondContact OD1-CG1 3.36Å; N1231-I1265 PolarHBondContact OD1-N 3.38Å; N1231-I1265 PolarHBondContact OD1-O 3.42Å
1232A91.4Very high86.7Confident0 Ų019.9 Ų19.90%013%0.126CC..EExtended strand (participates in β ladder)trans-141.1148.3168.900000112I1170 I1177 T1225 L1234 A1263 I1265I1170-A1232 HydrophobicContact CB-CB 4.26Å; I1170-A1232 CarbonylContact O-C 3.54Å; I1170-A1232 WeakPolarHBondContact O-CA 3.41Å; I1177-A1232 HydrophobicContact CD1-CB 4.29Å; T1225-A1232 WeakPolarHBondContact CG2-O 3.5Å; A1232-L1234 HydrophobicContact CB-CD2 4.15Å; A1232-A1263 PolarHBondContact N-O 2.77Å; A1232-A1263 VanDerWaalsContact N-O 3.1Å; A1232-A1263 PolarHBondContact O-N 3.34Å; A1232-A1263 VanDerWaalsContact O-O 3.12Å; A1232-I1265 HydrophobicContact CB-CD1 3.92Å; A1232-I1265 HydrophobicContact CB-CG1 3.91Å; A1232-I1265 HydrophobicContact CB-CG2 4.3Å
1233L92.1Very high85.7Confident0 Ų020.1 Ų20.10%013%0.125CC..EExtended strand (participates in β ladder)trans-112.8105.3165.6-178.861.5000107.6I1170 L1171 T1172 L1189 V1221 Y1236 M1262I1170-L1233 PolarHBondContact O-N 3.19Å; L1171-L1233 HydrophobicContact CD2-CB 3.79Å; L1171-L1233 HydrophobicContact CD2-CD2 4.13Å; T1172-L1233 WeakPolarHBondContact CG2-O 3.23Å; T1172-L1233 PolarHBondContact N-O 3.49Å; L1189-L1233 HydrophobicContact CB-CD1 4.44Å; V1221-L1233 HydrophobicContact CG1-CD2 3.24Å; L1233-Y1236 HydrophobicContact CD2-CD2 3.77Å; L1233-Y1236 HydrophobicContact CG-CD2 4.44Å; L1233-M1262 HydrophobicContact CD1-CB 4.47Å; L1233-M1262 HydrophobicContact CD1-CG 3.71Å
1234L91.7Very high84.7Confident1 Ų122.7 Ų22.71%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-82.9155.8-177.4-54.2176.4000110.6T1172 I1177 V1182 Y1185 A1232 Y1236 G1260 D1261 A1263T1172-L1234 HydrophobicContact CG2-CD2 3.74Å; T1172-L1234 CarbonylContact O-C 3.55Å; I1177-L1234 HydrophobicContact CD1-CD2 4.12Å; I1177-L1234 HydrophobicContact CG1-CD2 4.34Å; V1182-L1234 HydrophobicContact CG2-CD1 3.76Å; Y1185-L1234 HydrophobicContact CE1-CD1 4.03Å; A1232-L1234 HydrophobicContact CB-CD2 4.15Å; L1234-Y1236 PolarHBondContact O-N 2.98Å; L1234-G1260 CarbonylContact O-C 3.55Å; L1234-G1260 WeakPolarHBondContact O-CA 3.49Å; L1234-D1261 HydrophobicContact CB-CB 4.32Å; L1234-D1261 PolarHBondContact N-O 2.87Å; L1234-D1261 PolarHBondContact O-N 3.45Å; L1234-A1263 HydrophobicContact CD1-CB 3.67Å; L1234-A1263 HydrophobicContact CG-CB 4.04Å
1235S90.4Very high83.6Confident7 Ų724.9 Ų24.95%0.04914%0.143CC..EExtended strand (participates in β ladder)trans50.130.4-178.1-56.70000114.6C149 T1172 L1174 S1175 H1237C149-S1235 WeakPolarHBondContact CA-OG 3.46Å; C149-S1235 VanDerWaalsContact CB-OG 3.31Å; C149-S1235 WeakPolarHBondContact CB-OG 3.42Å; T1172-S1235 PolarHBondContact O-N 2.89Å; L1174-S1235 PolarHBondContact O-N 3.07Å; S1175-S1235 WeakPolarHBondContact CA-OG 3.36Å; S1175-S1235 PolarHBondContact OG-OG 3.26Å; S1235-H1237 PolarHBondContact O-N 3.01Å; S1235-H1237 PolarHBondContact O-ND1 2.87Å
1236Y90.2Very high82.2Confident4 Ų427.4 Ų27.42%0.01616%0.16CC..EExtended strand (participates in β ladder)trans-57.6122.4178.3171.3-90.9000111.2I835 L1171 T1172 P1173 Q1218 L1233 L1234 V1258 C1259I835-Y1236 HydrophobicContact CD1-CE1 3.81Å; I835-Y1236 WeakPolarHBondContact CD1-OH 3.35Å; I835-Y1236 HydrophobicContact CG1-CE1 4.31Å; L1171-Y1236 HydrophobicContact CB-CD2 4.37Å; L1171-Y1236 HydrophobicContact CB-CG 4.32Å; L1171-Y1236 HydrophobicContact CD1-CE2 4.23Å; T1172-Y1236 WeakPolarHBondContact O-CB 3.21Å; T1172-Y1236 PolarHBondContact O-N 3.04Å; P1173-Y1236 VanDerWaalsContact CA-O 3.3Å; P1173-Y1236 WeakPolarHBondContact CA-O 3.18Å; P1173-Y1236 WeakPolarHBondContact CB-O 3.31Å; Q1218-Y1236 PolarHBondContact NE2-OH 3.21Å; L1233-Y1236 HydrophobicContact CD2-CD2 3.77Å; L1233-Y1236 HydrophobicContact CG-CD2 4.44Å; L1234-Y1236 PolarHBondContact O-N 2.98Å; Y1236-V1258 HydrophobicContact CD2-CG1 3.97Å; Y1236-V1258 HydrophobicContact CE2-CG1 3.39Å; Y1236-C1259 WeakPolarHBondContact CA-O 3.5Å
1237H86.6Confident80.6Confident46 Ų4629 Ų2921%0.21317%0.169CC..EExtended strand (participates in β ladder)trans-146.5158173.961.3-75.8000112.1H148 S1235 C1259H148-H1237 AromaticContact CD2-CE1 3.72Å; S1235-H1237 PolarHBondContact O-N 3.01Å; S1235-H1237 PolarHBondContact O-ND1 2.87Å; H1237-C1259 VanDerWaalsContact CE1-CB 3.43Å; H1237-C1259 WeakPolarHBondContact CE1-CB 3.19Å; H1237-C1259 PolarHBondContact N-O 2.61Å; H1237-C1259 PolarHBondContact O-N 2.97Å
1238L85.2Confident79.3Confident11 Ų1133.5 Ų33.56%0.05820%0.201CC..EExtended strand (participates in β ladder)trans-89.1115.7165.8-54.8-178.4000107I835 R1032 L1214 V1241 N1257 V1258I835-L1238 HydrophobicContact CD1-CD1 4.17Å; I835-L1238 HydrophobicContact CD1-CD2 4.47Å; I835-L1238 HydrophobicContact CD1-CG 4.41Å; I835-L1238 HydrophobicContact CG2-CD1 4.34Å; R1032-L1238 PolarHBondContact NH2-O 2.86Å; L1214-L1238 HydrophobicContact CD2-CD1 3.77Å; L1214-L1238 HydrophobicContact CD2-CD2 4.03Å; L1238-V1241 HydrophobicContact CB-CG2 3.93Å; L1238-V1241 HydrophobicContact CD1-CG2 3.7Å; L1238-V1241 HydrophobicContact CG-CG2 4.4Å; L1238-N1257 WeakPolarHBondContact CA-O 3.05Å; L1238-V1258 HydrophobicContact CD2-CG2 3.79Å
1239S78.5Confident78.4Confident5 Ų540.1 Ų40.14%0.03523%0.225CC..EExtended strand (participates in β ladder)trans-80.9-42.2176.1-162.50000110.8L224 R1032 N1257L224-S1239 PolarHBondContact O-OG 3.02Å; R1032-S1239 PolarHBondContact NH1-O 2.79Å; R1032-S1239 PolarHBondContact NH2-O 2.81Å; S1239-N1257 PolarHBondContact N-O 2.93Å
1240E70.4Confident78.1Confident39 Ų3940.6 Ų40.618%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-130.8142.4174.3-69.2-50.5142.800112.5F226 R1032 L1256 N1257F226-E1240 HydrophobicContact CB-CG 4.11Å; R1032-E1240 IonicContact NH1-OE1 3.72Å; E1240-L1256 WeakPolarHBondContact O-CA 3.05Å; E1240-N1257 HydrophobicContact CB-CB 4.15Å; E1240-N1257 PolarHBondContact O-N 3.07Å
1241V68.3Low77.8Confident23 Ų2342.4 Ų42.414%0.13923%0.225CC..EExtended strand (participates in β ladder)trans-141.791.9171.1-177.60000108.4I1044 L1238 V1243 L1255 L1256I1044-V1241 HydrophobicContact CD1-CB 3.77Å; I1044-V1241 HydrophobicContact CD1-CG1 3.58Å; I1044-V1241 HydrophobicContact CD1-CG2 3.88Å; L1238-V1241 HydrophobicContact CB-CG2 3.93Å; L1238-V1241 HydrophobicContact CD1-CG2 3.7Å; L1238-V1241 HydrophobicContact CG-CG2 4.4Å; V1241-V1243 HydrophobicContact CG1-CG2 4.15Å; V1241-L1255 WeakPolarHBondContact CA-O 3.4Å; V1241-L1256 HydrophobicContact CB-CD2 4.22Å; V1241-L1256 HydrophobicContact CG1-CD2 3.74Å; V1241-L1256 HydrophobicContact CG2-CD2 3.9Å
1242V71.9Confident77.4Confident46 Ų4640.2 Ų40.228%0.27921%0.213SC..EExtended strand (participates in β ladder)trans-100.7137174.7-179.40000108.5L228 L1244 C1254 L1255L228-V1242 HydrophobicContact CD1-CG2 4.12Å; V1242-L1244 HydrophobicContact CG1-CD2 4.17Å; V1242-L1244 HydrophobicContact CG1-CG 4.27Å; V1242-C1254 CarbonylContact O-C 3.58Å; V1242-C1254 WeakPolarHBondContact O-CA 3.15Å; V1242-C1254 WeakPolarHBondContact O-CB 3.16Å; V1242-L1255 HydrophobicContact CB-CB 4.4Å; V1242-L1255 PolarHBondContact N-O 3.4Å; V1242-L1255 PolarHBondContact O-N 3.06Å
1243V70.3Confident77.2Confident15 Ų1541.7 Ų41.79%0.09122%0.22CC..EExtended strand (participates in β ladder)trans-132.8114.3-175.3-178.30000108.4T1036 I1206 L1210 V1241 Q1253 C1254T1036-V1243 HydrophobicContact CG2-CB 4.14Å; T1036-V1243 HydrophobicContact CG2-CG1 4.08Å; I1206-V1243 HydrophobicContact CD1-CG1 3.59Å; I1206-V1243 HydrophobicContact CG1-CG1 3.79Å; L1210-V1243 HydrophobicContact CD1-CG2 4.05Å; L1210-V1243 HydrophobicContact CD2-CG2 3.94Å; V1241-V1243 HydrophobicContact CG1-CG2 4.15Å; V1243-Q1253 WeakPolarHBondContact CA-O 3.29Å; V1243-C1254 HydrophobicContact CG2-CB 4.19Å
1244L71.5Confident76.9Confident74 Ų7441.7 Ų41.739%0.38722%0.221SC..EExtended strand (participates in β ladder)trans-108.1125.5-177.2-59.9176.4000109.8V1242 A1252 Q1253V1242-L1244 HydrophobicContact CG1-CD2 4.17Å; V1242-L1244 HydrophobicContact CG1-CG 4.27Å; L1244-A1252 WeakPolarHBondContact O-CA 3.48Å; L1244-Q1253 HydrophobicContact CB-CB 4.39Å; L1244-Q1253 PolarHBondContact N-O 3.28Å; L1244-Q1253 PolarHBondContact O-N 2.82Å
1245R68.2Low76.7Confident54 Ų5442.1 Ų42.120%0.20422%0.223CC..  trans-121.3109.8177.4-168.6-174.4-52.81736.7110.4E839 D1037 T1247E839-R1245 IonicContact OE1-CZ 3.9Å; E839-R1245 IonicContact OE1-NH2 3.83Å; E839-R1245 PolarHBondContact OE1-NH2 2.72Å; E839-R1245 IonicContact OE2-NH2 3.17Å; D1037-R1245 VanDerWaalsContact CG-CZ 3.4Å; D1037-R1245 WeakPolarHBondContact OD1-CD 3.42Å; D1037-R1245 IonicContact OD1-CZ 3.58Å; D1037-R1245 IonicContact OD1-NE 4Å; D1037-R1245 PolarHBondContact OD1-NE 3.05Å; D1037-R1245 IonicContact OD1-NH1 3.87Å; D1037-R1245 PolarHBondContact OD1-NH1 3.24Å; D1037-R1245 VanDerWaalsContact OD1-NH1 3.15Å; D1037-R1245 IonicContact OD1-NH2 3.19Å; D1037-R1245 PolarHBondContact OD1-NH2 3.12Å; D1037-R1245 VanDerWaalsContact OD2-CD 3.26Å; D1037-R1245 WeakPolarHBondContact OD2-CD 3.34Å; D1037-R1245 IonicContact OD2-CZ 3.96Å; D1037-R1245 VanDerWaalsContact OD2-CZ 3.27Å; D1037-R1245 IonicContact OD2-NE 3.59Å; D1037-R1245 IonicContact OD2-NH1 3.94Å; D1037-R1245 PolarHBondContact OD2-NH1 2.84Å; R1245-T1247 PolarHBondContact O-N 3.3Å
1246P63.2Low76.6Confident54 Ų5441.8 Ų41.835%0.35122%0.22SC..  trans-6899.5164.8-1530000108.5S1248 R1249 Q1251P1246-S1248 PolarHBondContact O-N 3.44Å; P1246-R1249 HydrophobicContact CB-CB 4.39Å; P1246-R1249 HydrophobicContact CB-CG 4.46Å; P1246-R1249 PolarHBondContact O-N 2.84Å; P1246-Q1251 HydrophobicContact CG-CB 4.33Å
1247T57.1Low76.6Confident105 Ų10541.7 Ų41.764%0.64422%0.22SC*.THydrogen-bonded Turntrans-50.4-26-17154.50000115R1245R1245-T1247 PolarHBondContact O-N 3.3Å
1248S61.2Low76.8Confident106 Ų10639.5 Ų39.574%0.74121%0.21SC*.THydrogen-bonded Turntrans-830177.456.10000115.7P1246P1246-S1248 PolarHBondContact O-N 3.44Å
1249R69.2Low77.2Confident157 Ų15739 Ų3959%0.59221%0.207SC*.SBendtrans-135.6160.3-167.9-59-173.6-177.5175.71.5113.9P1246 Q1251P1246-R1249 HydrophobicContact CB-CB 4.39Å; P1246-R1249 HydrophobicContact CB-CG 4.46Å; P1246-R1249 PolarHBondContact O-N 2.84Å; R1249-Q1251 HydrophobicContact CB-CB 4.06Å; R1249-Q1251 HydrophobicContact CB-CG 4.28Å; R1249-Q1251 VanDerWaalsContact NH1-OE1 3.08Å; R1249-Q1251 PolarHBondContact O-N 3.41Å
1250N81.8Confident77.8Confident50 Ų5038.7 Ų38.727%0.26721%0.205SC..SBendtrans-75.824.4172.2-163.434.4000112.7T1198 D1199 L1200 R1201T1198-N1250 CarbonylContact C-O 3.58Å; T1198-N1250 PolarHBondContact O-ND2 2.84Å; D1199-N1250 WeakPolarHBondContact CA-ND2 3.16Å; D1199-N1250 PolarHBondContact N-O 3.48Å; L1200-N1250 WeakPolarHBondContact CB-O 3.29Å; L1200-N1250 PolarHBondContact N-O 3.21Å; R1201-N1250 WeakPolarHBondContact CB-OD1 3.48Å; R1201-N1250 WeakPolarHBondContact CD-OD1 3.39Å; R1201-N1250 WeakPolarHBondContact CG-OD1 3.31Å; R1201-N1250 PolarHBondContact N-OD1 3Å
1251Q83.7Confident78.9Confident45 Ų4536.9 Ų36.921%0.2120%0.197CC..  trans-108145.9-167.1-80.6174.2-25.200111.4T1197 T1198 P1246 R1249T1197-Q1251 VanDerWaalsContact O-CA 3.26Å; T1197-Q1251 WeakPolarHBondContact O-CA 3.49Å; T1198-Q1251 HydrophobicContact CG2-CG 4.37Å; P1246-Q1251 HydrophobicContact CG-CB 4.33Å; R1249-Q1251 HydrophobicContact CB-CB 4.06Å; R1249-Q1251 HydrophobicContact CB-CG 4.28Å; R1249-Q1251 VanDerWaalsContact NH1-OE1 3.08Å; R1249-Q1251 PolarHBondContact O-N 3.41Å
1252A83.2Confident80.1Confident2 Ų236 Ų362%0.01719%0.192CC..EExtended strand (participates in β ladder)trans-146.4145.2165.400000110.7E1196 T1197 L1200 I1206 F1209 L1244E1196-A1252 CarbonylContact C-O 3.55Å; E1196-A1252 WeakPolarHBondContact CA-O 3.38Å; T1197-A1252 HydrophobicContact CG2-CB 4.16Å; T1197-A1252 PolarHBondContact N-O 3.06Å; T1197-A1252 PolarHBondContact O-N 3.46Å; T1197-A1252 VanDerWaalsContact O-N 3.12Å; L1200-A1252 HydrophobicContact CD1-CB 3.8Å; L1200-A1252 HydrophobicContact CD2-CB 4.1Å; L1200-A1252 HydrophobicContact CG-CB 4.46Å; I1206-A1252 HydrophobicContact CD1-CB 3.45Å; I1206-A1252 VanDerWaalsContact CD1-CB 3.45Å; F1209-A1252 HydrophobicContact CD1-CB 4.23Å; F1209-A1252 HydrophobicContact CE1-CB 4.12Å; L1244-A1252 WeakPolarHBondContact O-CA 3.48Å
1253Q86.3Confident81.1Confident31 Ų3133.9 Ų33.915%0.14518%0.178CC..EExtended strand (participates in β ladder)trans-122.6144.3172.9-169.6-168.414.400107.4E175 N189 V1194 R1195 E1196 V1243 L1244E175-Q1253 PolarHBondContact OE1-NE2 2.7Å; N189-Q1253 PolarHBondContact OD1-NE2 2.84Å; V1194-Q1253 HydrophobicContact CG1-CG 4.33Å; R1195-Q1253 CarbonylContact O-C 3.55Å; R1195-Q1253 VanDerWaalsContact O-CA 3.28Å; R1195-Q1253 WeakPolarHBondContact O-CA 3.5Å; E1196-Q1253 HydrophobicContact CB-CG 4.46Å; V1243-Q1253 WeakPolarHBondContact CA-O 3.29Å; L1244-Q1253 HydrophobicContact CB-CB 4.39Å; L1244-Q1253 PolarHBondContact N-O 3.28Å; L1244-Q1253 PolarHBondContact O-N 2.82Å
1254C85.9Confident82.1Confident1 Ų138.3 Ų38.31%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-137.7144.1166.968.70000112V1194 R1195 F1209 L1210 V1242 V1243V1194-C1254 WeakPolarHBondContact CA-O 3.11Å; R1195-C1254 PolarHBondContact N-O 3.2Å; R1195-C1254 PolarHBondContact O-N 2.73Å; F1209-C1254 HydrophobicContact CE1-CB 4.1Å; L1210-C1254 HydrophobicContact CD2-CB 3.81Å; V1242-C1254 CarbonylContact O-C 3.58Å; V1242-C1254 WeakPolarHBondContact O-CA 3.15Å; V1242-C1254 WeakPolarHBondContact O-CB 3.16Å; V1243-C1254 HydrophobicContact CG2-CB 4.19Å
1255L87.5Confident82.9Confident9 Ų934.9 Ų34.95%0.04718%0.175CC..EExtended strand (participates in β ladder)trans-106.1129168.5175.269.7000108F196 L228 F1193 V1194 V1241 V1242F196-L1255 HydrophobicContact CD2-CD1 3.93Å; F196-L1255 HydrophobicContact CD2-CD2 4.33Å; F196-L1255 HydrophobicContact CE2-CD1 3.8Å; F196-L1255 HydrophobicContact CE2-CD2 3.71Å; F196-L1255 HydrophobicContact CE2-CG 4.44Å; L228-L1255 HydrophobicContact CD1-CD2 3.87Å; F1193-L1255 WeakPolarHBondContact O-CA 3.24Å; V1194-L1255 HydrophobicContact CG2-CD1 3.65Å; V1241-L1255 WeakPolarHBondContact CA-O 3.4Å; V1242-L1255 HydrophobicContact CB-CB 4.4Å; V1242-L1255 PolarHBondContact N-O 3.4Å; V1242-L1255 PolarHBondContact O-N 3.06Å
1256L88.8Confident83.9Confident1 Ų133.8 Ų33.81%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-125.6121.4179-57.3172.7000109F1193 L1214 V1217 E1240 V1241F1193-L1256 HydrophobicContact CB-CB 4.38Å; F1193-L1256 PolarHBondContact N-O 2.8Å; F1193-L1256 PolarHBondContact O-N 3.45Å; L1214-L1256 HydrophobicContact CD2-CD1 4.12Å; L1214-L1256 HydrophobicContact CD2-CD2 4.36Å; L1214-L1256 HydrophobicContact CG-CD1 4.48Å; V1217-L1256 HydrophobicContact CG2-CD1 4.16Å; E1240-L1256 WeakPolarHBondContact O-CA 3.05Å; V1241-L1256 HydrophobicContact CB-CD2 4.22Å; V1241-L1256 HydrophobicContact CG1-CD2 3.74Å; V1241-L1256 HydrophobicContact CG2-CD2 3.9Å
1257N90Very high84.7Confident1 Ų136.1 Ų36.11%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-103.4125.5166.6-178.118.5000109.9F1191 F1192 L1238 S1239 E1240F1191-N1257 PolarHBondContact O-OD1 3.03Å; F1192-N1257 HydrophobicContact CD1-CB 3.92Å; F1192-N1257 HydrophobicContact CE1-CB 3.68Å; F1192-N1257 WeakPolarHBondContact CE1-ND2 3.43Å; F1192-N1257 WeakPolarHBondContact CE1-OD1 3.11Å; F1192-N1257 HydrophobicContact CZ-CB 4.47Å; F1192-N1257 WeakPolarHBondContact CZ-OD1 3.15Å; L1238-N1257 WeakPolarHBondContact CA-O 3.05Å; S1239-N1257 PolarHBondContact N-O 2.93Å; E1240-N1257 HydrophobicContact CB-CB 4.15Å; E1240-N1257 PolarHBondContact O-N 3.07Å
1258V91.2Very high85.1Confident0 Ų037.1 Ų37.10%018%0.175CC..EExtended strand (participates in β ladder)trans-117.5120.7-178.4-178.30000110.6F1191 V1217 V1221 Y1236 L1238F1191-V1258 PolarHBondContact N-O 2.79Å; F1191-V1258 PolarHBondContact O-N 3.3Å; V1217-V1258 HydrophobicContact CG1-CG2 3.54Å; V1221-V1258 HydrophobicContact CG2-CG1 4.23Å; Y1236-V1258 HydrophobicContact CD2-CG1 3.97Å; Y1236-V1258 HydrophobicContact CE2-CG1 3.39Å; L1238-V1258 HydrophobicContact CD2-CG2 3.79Å
1259C92.1Very high84.9Confident0 Ų039.1 Ų39.10%018%0.176CC..EExtended strand (participates in β ladder)trans-120.1148.1-175.3-66.20000111.5L1189 D1190 Y1236 H1237L1189-C1259 CarbonylContact O-C 3.59Å; L1189-C1259 VanDerWaalsContact O-CA 3.28Å; L1189-C1259 WeakPolarHBondContact O-CA 3.45Å; D1190-C1259 PolarHBondContact OD1-SG 3.22Å; Y1236-C1259 WeakPolarHBondContact CA-O 3.5Å; H1237-C1259 VanDerWaalsContact CE1-CB 3.43Å; H1237-C1259 WeakPolarHBondContact CE1-CB 3.19Å; H1237-C1259 PolarHBondContact N-O 2.61Å; H1237-C1259 PolarHBondContact O-N 2.97Å
1260G92.7Very high83.8Confident0 Ų036.2 Ų36.20%018%0.176CC..EExtended strand (participates in β ladder)trans172.8-179.3172.600000114.8H148 N1188 L1189 L1234H148-G1260 VanDerWaalsContact ND1-C 3.33Å; H148-G1260 PolarHBondContact ND1-N 3.35Å; H148-G1260 PolarHBondContact ND1-O 3.12Å; N1188-G1260 CarbonylContact C-O 3.59Å; N1188-G1260 WeakPolarHBondContact CA-O 3.37Å; L1189-G1260 PolarHBondContact N-O 3.39Å; L1189-G1260 PolarHBondContact O-N 3.15Å; L1189-G1260 VanDerWaalsContact O-N 3.08Å; L1234-G1260 CarbonylContact O-C 3.55Å; L1234-G1260 WeakPolarHBondContact O-CA 3.49Å
1261D93.5Very high81.3Confident1 Ų146.7 Ų46.71%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-113.2107.7-178.6-69-14.9000111.4Y147 H148 C149 L1234Y147-D1261 WeakPolarHBondContact CA-OD1 3.44Å; Y147-D1261 WeakPolarHBondContact CA-OD2 3.44Å; H148-D1261 WeakPolarHBondContact CB-OD1 3.41Å; H148-D1261 IonicContact CG-OD1 3.34Å; H148-D1261 VanDerWaalsContact N-CG 3.28Å; H148-D1261 PolarHBondContact N-OD1 2.98Å; H148-D1261 PolarHBondContact N-OD2 2.83Å; H148-D1261 IonicContact ND1-OD1 3.16Å; H148-D1261 PolarHBondContact ND1-OD1 3.24Å; C149-D1261 PolarHBondContact N-OD2 2.97Å; C149-D1261 PolarHBondContact SG-OD2 3.19Å; L1234-D1261 HydrophobicContact CB-CB 4.32Å; L1234-D1261 PolarHBondContact N-O 2.87Å; L1234-D1261 PolarHBondContact O-N 3.45Å
1262M93.1Very high81.2Confident5 Ų546.8 Ų46.83%0.02522%0.22CC..EExtended strand (participates in β ladder)trans-69.8129.9179.5-67.7-178.2-68.600110.8P95 L1186 G1187 N1188 L1189 T1225 L1228 L1233P95-M1262 HydrophobicContact CB-CE 4.09Å; P95-M1262 HydrophobicContact CG-CE 3.73Å; L1186-M1262 HydrophobicContact CB-CB 4.1Å; L1186-M1262 WeakPolarHBondContact CB-O 3.38Å; L1186-M1262 PolarHBondContact N-O 2.84Å; G1187-M1262 WeakPolarHBondContact O-CB 3.28Å; G1187-M1262 PolarHBondContact O-N 3.26Å; N1188-M1262 WeakPolarHBondContact O-CE 3.39Å; L1189-M1262 HydrophobicContact CB-CE 4.02Å; L1189-M1262 HydrophobicContact CB-CG 4.12Å; L1189-M1262 HydrophobicContact CB-SD 4.1Å; L1189-M1262 HydrophobicContact CD1-CE 4.46Å; L1189-M1262 HydrophobicContact CD1-CG 4.41Å; L1189-M1262 HydrophobicContact CD1-SD 3.75Å; T1225-M1262 HydrophobicContact CG2-CB 4.12Å; T1225-M1262 HydrophobicContact CG2-CG 3.99Å; L1228-M1262 HydrophobicContact CD1-CE 3.44Å; L1228-M1262 VanDerWaalsContact CD1-CE 3.44Å; L1228-M1262 HydrophobicContact CD1-SD 3.68Å; L1233-M1262 HydrophobicContact CD1-CB 4.47Å; L1233-M1262 HydrophobicContact CD1-CG 3.71Å
1263A92Very high81.1Confident0 Ų049.1 Ų49.10%023%0.23CC..EExtended strand (participates in β ladder)trans-141.3153.7-175.600000112.9V1182 A1184 G1230 N1231 A1232 L1234V1182-A1263 HydrophobicContact CG1-CB 4.04Å; A1184-A1263 WeakPolarHBondContact O-CA 3.38Å; G1230-A1263 WeakPolarHBondContact CA-O 3.47Å; N1231-A1263 PolarHBondContact N-O 3.21Å; A1232-A1263 PolarHBondContact N-O 2.77Å; A1232-A1263 VanDerWaalsContact N-O 3.1Å; A1232-A1263 PolarHBondContact O-N 3.34Å; A1232-A1263 VanDerWaalsContact O-O 3.12Å; L1234-A1263 HydrophobicContact CD1-CB 3.67Å; L1234-A1263 HydrophobicContact CG-CB 4.04Å
1264R91.3Very high80.8Confident108 Ų10850.1 Ų50.141%0.40824%0.235SC..EExtended strand (participates in β ladder)trans-102.3109.5158.9-164.4175.276.7-143.86109E1183 A1184 G1229 N1231E1183-R1264 PolarHBondContact N-O 3.29Å; E1183-R1264 IonicContact OE2-CZ 2.77Å; E1183-R1264 IonicContact OE2-NE 3.11Å; E1183-R1264 PolarHBondContact OE2-NE 2.7Å; E1183-R1264 IonicContact OE2-NH2 3.53Å; E1183-R1264 PolarHBondContact OE2-NH2 3.37Å; A1184-R1264 PolarHBondContact N-O 3.03Å; A1184-R1264 PolarHBondContact O-N 2.76Å; G1229-R1264 WeakPolarHBondContact O-CD 3.08Å; G1229-R1264 WeakPolarHBondContact O-CG 3.32Å; N1231-R1264 WeakPolarHBondContact OD1-CA 3.16Å
1265I90.1Very high80.5Confident2 Ų253 Ų531%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-95.1147.1172.655.8162.3000110.9I1170 I1177 T1180 Y1181 V1182 N1231 A1232I1170-I1265 HydrophobicContact CD1-CD1 4.14Å; I1177-I1265 HydrophobicContact CD1-CD1 3.77Å; T1180-I1265 HydrophobicContact CG2-CD1 4.11Å; Y1181-I1265 WeakPolarHBondContact O-CA 3.35Å; V1182-I1265 HydrophobicContact CG2-CG2 3.93Å; N1231-I1265 PolarHBondContact ND2-O 2.83Å; N1231-I1265 WeakPolarHBondContact OD1-CG1 3.36Å; N1231-I1265 PolarHBondContact OD1-N 3.38Å; N1231-I1265 PolarHBondContact OD1-O 3.42Å; A1232-I1265 HydrophobicContact CB-CD1 3.92Å; A1232-I1265 HydrophobicContact CB-CG1 3.91Å; A1232-I1265 HydrophobicContact CB-CG2 4.3Å
1266S87.5Confident80Confident32 Ų3255.8 Ų55.822%0.22426%0.261CS..EExtended strand (participates in β ladder)trans-120.5145.9164.3-950000110.1T1180 Y1181 E1183T1180-S1266 CarbonylContact C-O 3.55Å; T1180-S1266 VanDerWaalsContact CA-O 3.29Å; T1180-S1266 WeakPolarHBondContact CA-O 3.49Å; T1180-S1266 WeakPolarHBondContact CB-O 3.43Å; Y1181-S1266 WeakPolarHBondContact CD1-O 3.22Å; Y1181-S1266 PolarHBondContact N-O 3.14Å; Y1181-S1266 PolarHBondContact O-N 3.22Å; E1183-S1266 VanDerWaalsContact CD-OG 3.32Å; E1183-S1266 VanDerWaalsContact OE1-CB 3.24Å; E1183-S1266 WeakPolarHBondContact OE1-CB 3.48Å; E1183-S1266 PolarHBondContact OE1-OG 2.75Å
1267W80Confident79.5Confident103 Ų10359.4 Ų59.439%0.3928%0.278SS..EExtended strand (participates in β ladder)trans-73.1138.7173.6-58.692.5000109.3I1166 I1170 T1180 I1269I1166-W1267 HydrophobicContact CD1-CZ2 4.35Å; I1170-W1267 HydrophobicContact CD1-CZ2 4.04Å; T1180-W1267 HydrophobicContact CG2-CD2 3.93Å; T1180-W1267 HydrophobicContact CG2-CE3 3.46Å; T1180-W1267 VanDerWaalsContact CG2-CE3 3.46Å; T1180-W1267 HydrophobicContact CG2-CH2 3.97Å; T1180-W1267 HydrophobicContact CG2-CZ2 4.39Å; T1180-W1267 HydrophobicContact CG2-CZ3 3.48Å; T1180-W1267 VanDerWaalsContact CG2-CZ3 3.48Å; W1267-I1269 PolarHBondContact O-N 3.23Å
1268E65.8Low78.7Confident125 Ų12563.6 Ų63.658%0.58430%0.298SS*.  trans-73.398.6174.3-171.8162.9-138.700109.2N1179 T1270N1179-E1268 PolarHBondContact O-N 2.96Å; E1268-T1270 VanDerWaalsContact C-N 3.28Å; E1268-T1270 PolarHBondContact O-N 2.6Å
1269I56.7Low77.7Confident148 Ų14868.5 Ų68.576%0.75932%0.321SS*.  trans-71.390173.5-54.3176.9000107.7W1267 K1271W1267-I1269 PolarHBondContact O-N 3.23Å; I1269-K1271 PolarHBondContact O-N 2.89Å; I1269-K1271 VanDerWaalsContact O-N 3.16Å
1270T45.6Very low76.5Confident96 Ų9674.2 Ų74.259%0.58935%0.347SS*.  trans-53.4117.7168.352.20000109.3E1268E1268-T1270 VanDerWaalsContact C-N 3.28Å; E1268-T1270 PolarHBondContact O-N 2.6Å
1271K30.2Very low75.1Confident270 Ų27080.9 Ų80.9100%1.17438%0.379SS*.  trans-102.40173.6-84-171.3171.8-1760110.8I1269I1269-K1271 PolarHBondContact O-N 2.89Å; I1269-K1271 VanDerWaalsContact O-N 3.16Å

Retrieved 1,271 of 1,271 residues in 1184.3 ms (Link to these results)

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