A0A077Z815_TRITR Loading...

KH 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z815, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 435 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
1M86.6Confident90Very high28 Ų2858.3 Ų58.314%0.13830%0.3CS..  0130.80175.7175.663.200109.1T16 V17 F123 C170 Y171M1-T16 CarbonylContact O-C 3.18Å; M1-T16 WeakPolarHBondContact O-CA 3.44Å; M1-V17 HydrophobicContact CB-CB 4.44Å; M1-V17 HydrophobicContact CE-CB 4.16Å; M1-V17 HydrophobicContact CE-CG1 4.4Å; M1-V17 HydrophobicContact CE-CG2 4.15Å; M1-V17 PolarHBondContact N-O 3.18Å; M1-V17 VanDerWaalsContact N-O 3.14Å; M1-V17 PolarHBondContact O-N 3.35Å; M1-F123 HydrophobicContact CE-CD1 3.93Å; M1-F123 HydrophobicContact CE-CE1 3.48Å; M1-F123 VanDerWaalsContact CE-CE1 3.48Å; M1-C170 HydrophobicContact SD-CB 4.36Å; M1-C170 PolarHBondContact SD-SG 3.36Å; M1-Y171 HydrophobicContact CG-CE2 4.31Å; M1-Y171 HydrophobicContact SD-CD2 4.35Å; M1-Y171 HydrophobicContact SD-CE2 4.4Å
2E91.5Very high90.4Very high138 Ų13855.6 Ų55.665%0.64528%0.283SS*.EExtended strand (participates in β ladder)trans-76.6136.2-174.7-65-179.4177.600112.8T16E2-T16 HydrophobicContact CG-CG2 4.48Å
3V93.5Very high90.7Very high4 Ų452.5 Ų52.52%0.02427%0.267CS..EExtended strand (participates in β ladder)trans-146.1167.7178.8-65.90000110A15 V17 V27 L44 L46 L118V3-A15 HydrophobicContact CG2-CB 4.2Å; V3-A15 PolarHBondContact N-O 3.5Å; V3-A15 CarbonylContact O-C 3.57Å; V3-A15 PolarHBondContact O-N 2.96Å; V3-V17 HydrophobicContact CB-CG2 4.3Å; V3-V17 HydrophobicContact CG1-CG2 3.59Å; V3-V17 HydrophobicContact CG2-CG2 3.68Å; V3-V27 HydrophobicContact CG2-CG1 4.4Å; V3-L44 HydrophobicContact CG2-CD2 4.21Å; V3-L46 HydrophobicContact CG1-CD2 4.34Å; V3-L118 HydrophobicContact CG1-CD1 4.22Å
4E95Very high90.9Very high4 Ų454.6 Ų54.62%0.01927%0.274CS..EExtended strand (participates in β ladder)trans-112.7132169.1-65.6-176.5173.800110.8W12 L13 L44 R45 P47 R110E4-W12 HydrophobicContact CB-CB 4.19Å; E4-W12 HydrophobicContact CB-CE3 4.02Å; E4-L13 CarbonylContact C-O 3.59Å; E4-L13 VanDerWaalsContact CA-O 3.24Å; E4-L13 WeakPolarHBondContact CA-O 3.2Å; E4-L44 CarbonylContact O-C 3.57Å; E4-L44 VanDerWaalsContact O-CA 3.32Å; E4-L44 WeakPolarHBondContact O-CA 3.2Å; E4-R45 HydrophobicContact CB-CG 3.94Å; E4-R45 PolarHBondContact N-O 3.43Å; E4-R45 PolarHBondContact O-N 2.99Å; E4-R45 IonicContact OE2-CZ 3.28Å; E4-R45 VanDerWaalsContact OE2-CZ 3.28Å; E4-R45 IonicContact OE2-NE 2.7Å; E4-R45 PolarHBondContact OE2-NE 3.27Å; E4-R45 IonicContact OE2-NH2 2.59Å; E4-R45 PolarHBondContact OE2-NH2 2.82Å; E4-P47 HydrophobicContact CG-CB 4.32Å; E4-R110 IonicContact OE1-CZ 3.9Å; E4-R110 IonicContact OE1-NH1 3.81Å; E4-R110 PolarHBondContact OE1-NH1 3.02Å; E4-R110 IonicContact OE1-NH2 2.81Å; E4-R110 PolarHBondContact OE1-NH2 3.29Å; E4-R110 IonicContact OE2-CZ 3.74Å; E4-R110 IonicContact OE2-NH2 3.27Å; E4-R110 PolarHBondContact OE2-NH2 2.84Å
5L94.5Very high91.1Very high20 Ų2051.4 Ų51.411%0.10526%0.259CS..EExtended strand (participates in β ladder)trans-101.5125.7179.6172.865.7000110.8S7 W12 L13 A15 V29 V39 C43 L44L5-S7 PolarHBondContact O-N 3.02Å; L5-W12 CarbonylContact O-C 3.45Å; L5-W12 WeakPolarHBondContact O-CA 3.31Å; L5-L13 HydrophobicContact CB-CB 4.43Å; L5-L13 PolarHBondContact N-O 3.23Å; L5-L13 PolarHBondContact O-N 2.73Å; L5-A15 HydrophobicContact CB-CB 4.28Å; L5-V29 HydrophobicContact CD2-CG2 3.66Å; L5-V39 HydrophobicContact CD1-CB 4.25Å; L5-V39 HydrophobicContact CD1-CG1 3.33Å; L5-V39 HydrophobicContact CD1-CG2 3.95Å; L5-C43 HydrophobicContact CD1-CB 4.24Å; L5-L44 HydrophobicContact CB-CD2 4.13Å; L5-L44 HydrophobicContact CD1-CD2 3.79Å
6K93.6Very high91.2Very high109 Ų10951.3 Ų51.347%0.47426%0.261SS..EExtended strand (participates in β ladder)trans-65.7125.1174.4-165.9176.7-179.1-178.10110.7G11 W12 C43K6-G11 CarbonylContact C-O 3.17Å; K6-G11 WeakPolarHBondContact CA-O 3.2Å; K6-W12 HydrophobicContact CB-CD2 4.42Å; K6-W12 HydrophobicContact CB-CE3 4Å; K6-W12 HydrophobicContact CB-CH2 3.88Å; K6-W12 HydrophobicContact CB-CZ2 4.29Å; K6-W12 HydrophobicContact CB-CZ3 3.71Å; K6-W12 HydrophobicContact CD-CH2 4.25Å; K6-W12 HydrophobicContact CD-CZ2 4.23Å; K6-W12 HydrophobicContact CG-CH2 4.26Å; K6-W12 HydrophobicContact CG-CZ2 4.21Å; K6-W12 HydrophobicContact CG-CZ3 4.49Å; K6-C43 HydrophobicContact CB-CB 4.41Å; K6-C43 WeakPolarHBondContact CB-O 3.39Å; K6-C43 PolarHBondContact N-O 3.14Å
7S89.9Confident91.3Very high17 Ų1748.3 Ų48.312%0.11925%0.246CC..PPolyproline II helixtrans-88161.4172.874.20000111.4L5 N9 G10 G11L5-S7 PolarHBondContact O-N 3.02Å; S7-N9 PolarHBondContact O-N 3.47Å; S7-G10 PolarHBondContact O-N 3.36Å; S7-G10 VanDerWaalsContact O-N 3.09Å; S7-G11 PolarHBondContact N-O 3.5Å; S7-G11 WeakPolarHBondContact OG-CA 3.44Å; S7-G11 PolarHBondContact OG-N 3.35Å; S7-G11 PolarHBondContact OG-O 2.92Å
8E86.3Confident91.2Very high198 Ų19851.1 Ų51.193%0.92526%0.258SS*.THydrogen-bonded Turntrans-58.5-33.1178.6-63.6-179.2174.200112.3G10E8-G10 VanDerWaalsContact C-N 3.25Å; E8-G10 PolarHBondContact O-N 2.95Å
9N83.5Confident91Very high85 Ų8551.3 Ų51.346%0.45527%0.265SS..THydrogen-bonded Turntrans-89.615.9-179-63.5-24.2000113.3S7 G11 D73S7-N9 PolarHBondContact O-N 3.47Å; N9-G11 VanDerWaalsContact C-N 3.33Å; N9-G11 PolarHBondContact O-N 3.26Å; N9-D73 PolarHBondContact ND2-OD1 3.46Å
10G85.1Confident91Very high38 Ų3851 Ų5139%0.39227%0.265SS..SBendtrans81.65.7173.300000115.4S7 E8S7-G10 PolarHBondContact O-N 3.36Å; S7-G10 VanDerWaalsContact O-N 3.09Å; E8-G10 VanDerWaalsContact C-N 3.25Å; E8-G10 PolarHBondContact O-N 2.95Å
11G90.8Very high90.7Very high0 Ų051 Ų510%027%0.27CS..  trans-82.6170173.100000112.7K6 S7 N9 W77 Y78K6-G11 CarbonylContact C-O 3.17Å; K6-G11 WeakPolarHBondContact CA-O 3.2Å; S7-G11 PolarHBondContact N-O 3.5Å; S7-G11 WeakPolarHBondContact OG-CA 3.44Å; S7-G11 PolarHBondContact OG-N 3.35Å; S7-G11 PolarHBondContact OG-O 2.92Å; N9-G11 VanDerWaalsContact C-N 3.33Å; N9-G11 PolarHBondContact O-N 3.26Å; G11-W77 CarbonylContact C-O 3.53Å; G11-W77 WeakPolarHBondContact CA-O 3.29Å; G11-Y78 VanDerWaalsContact CA-CD1 3.47Å
12W94.4Very high90.6Very high26 Ų2655 Ų5510%0.09830%0.301CS..EExtended strand (participates in β ladder)trans-123.3112.2178.6-69.793.8000110.6E4 L5 K6 R45 G76 W77E4-W12 HydrophobicContact CB-CB 4.19Å; E4-W12 HydrophobicContact CB-CE3 4.02Å; L5-W12 CarbonylContact O-C 3.45Å; L5-W12 WeakPolarHBondContact O-CA 3.31Å; K6-W12 HydrophobicContact CB-CD2 4.42Å; K6-W12 HydrophobicContact CB-CE3 4Å; K6-W12 HydrophobicContact CB-CH2 3.88Å; K6-W12 HydrophobicContact CB-CZ2 4.29Å; K6-W12 HydrophobicContact CB-CZ3 3.71Å; K6-W12 HydrophobicContact CD-CH2 4.25Å; K6-W12 HydrophobicContact CD-CZ2 4.23Å; K6-W12 HydrophobicContact CG-CH2 4.26Å; K6-W12 HydrophobicContact CG-CZ2 4.21Å; K6-W12 HydrophobicContact CG-CZ3 4.49Å; W12-R45 HydrophobicContact CD2-CG 4.18Å; W12-R45 VanDerWaalsContact CD2-CZ 3.46Å; W12-R45 HydrophobicContact CE3-CG 3.62Å; W12-R45 HydrophobicContact CH2-CB 4.12Å; W12-R45 HydrophobicContact CH2-CG 3.93Å; W12-R45 HydrophobicContact CZ2-CG 4.46Å; W12-R45 HydrophobicContact CZ3-CB 3.91Å; W12-R45 HydrophobicContact CZ3-CG 3.49Å; W12-R45 VanDerWaalsContact CZ3-CG 3.49Å; W12-G76 WeakPolarHBondContact O-CA 3.37Å; W12-W77 HydrophobicContact CB-CB 4.22Å; W12-W77 PolarHBondContact N-O 2.94Å; W12-W77 PolarHBondContact O-N 2.94Å
13L93.9Very high90.4Very high16 Ų1652.6 Ų52.68%0.08430%0.299CS..EExtended strand (participates in β ladder)trans-89.7138.2-175.6-50.6-177.5000110.5E4 L5 A15 V29 P74 L75E4-L13 CarbonylContact C-O 3.59Å; E4-L13 VanDerWaalsContact CA-O 3.24Å; E4-L13 WeakPolarHBondContact CA-O 3.2Å; L5-L13 HydrophobicContact CB-CB 4.43Å; L5-L13 PolarHBondContact N-O 3.23Å; L5-L13 PolarHBondContact O-N 2.73Å; L13-A15 PolarHBondContact O-N 3.31Å; L13-V29 HydrophobicContact CB-CG1 4.07Å; L13-V29 HydrophobicContact CD1-CG1 4.22Å; L13-P74 HydrophobicContact CD1-CB 3.98Å; L13-P74 HydrophobicContact CD1-CG 3.93Å; L13-P74 HydrophobicContact CD2-CB 3.7Å; L13-P74 HydrophobicContact CD2-CG 3.71Å; L13-P74 HydrophobicContact CG-CG 4.42Å; L13-L75 WeakPolarHBondContact CD2-O 3.22Å
14K94.2Very high90.3Very high82 Ų8253.4 Ų53.436%0.35731%0.305SS..EExtended strand (participates in β ladder)trans-67.4130.8172.6-68.9179.6176.4-177.30110.2E30 Y66K14-E30 HydrophobicContact CB-CB 4.23Å; K14-E30 WeakPolarHBondContact CB-OE2 3.4Å; K14-E30 WeakPolarHBondContact CD-OE2 3.14Å; K14-E30 PolarHBondContact O-N 3.34Å; K14-Y66 HydrophobicContact CD-CE2 4.33Å
15A94Very high90.1Very high6 Ų653.2 Ų53.25%0.0530%0.304CS..EExtended strand (participates in β ladder)trans-151165.4-176.900000112.5V3 L5 L13 V27 V28 V29V3-A15 HydrophobicContact CG2-CB 4.2Å; V3-A15 PolarHBondContact N-O 3.5Å; V3-A15 CarbonylContact O-C 3.57Å; V3-A15 PolarHBondContact O-N 2.96Å; L5-A15 HydrophobicContact CB-CB 4.28Å; L13-A15 PolarHBondContact O-N 3.31Å; A15-V27 HydrophobicContact CB-CG1 3.33Å; A15-V28 CarbonylContact C-O 3.51Å; A15-V28 VanDerWaalsContact CA-O 3.27Å; A15-V28 WeakPolarHBondContact CA-O 3.49Å; A15-V28 WeakPolarHBondContact CB-O 3.39Å; A15-V29 HydrophobicContact CB-CG2 4.36Å
16T92.7Very high90.1Very high49 Ų4955 Ų5530%0.30131%0.312SS..EExtended strand (participates in β ladder)trans-126.7128.4179.757.80000111M1 E2 V27 V28M1-T16 CarbonylContact O-C 3.18Å; M1-T16 WeakPolarHBondContact O-CA 3.44Å; E2-T16 HydrophobicContact CG-CG2 4.48Å; T16-V27 CarbonylContact O-C 3.57Å; T16-V27 WeakPolarHBondContact O-CA 3.17Å; T16-V28 PolarHBondContact N-O 3.47Å; T16-V28 PolarHBondContact O-N 3.22Å; T16-V28 PolarHBondContact OG1-O 3.06Å
17V92.4Very high90.1Very high1 Ų149.9 Ų49.91%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-75.3125171.7-178.60000109.1M1 V3 V20 A25 V27M1-V17 HydrophobicContact CB-CB 4.44Å; M1-V17 HydrophobicContact CE-CB 4.16Å; M1-V17 HydrophobicContact CE-CG1 4.4Å; M1-V17 HydrophobicContact CE-CG2 4.15Å; M1-V17 PolarHBondContact N-O 3.18Å; M1-V17 VanDerWaalsContact N-O 3.14Å; M1-V17 PolarHBondContact O-N 3.35Å; V3-V17 HydrophobicContact CB-CG2 4.3Å; V3-V17 HydrophobicContact CG1-CG2 3.59Å; V3-V17 HydrophobicContact CG2-CG2 3.68Å; V17-V20 HydrophobicContact CG1-CG2 3.67Å; V17-A25 HydrophobicContact CG1-CB 4.23Å; V17-V27 HydrophobicContact CG2-CG2 4.25Å
18Q89.4Confident90.2Very high99 Ų9949.7 Ų49.746%0.46329%0.288SS..EExtended strand (participates in β ladder)trans-102.9-33.6177.7-66.8-65.3-13.800112.6Q26 V28 L155Q18-Q26 PolarHBondContact N-O 3.07Å; Q18-V28 HydrophobicContact CG-CB 4.43Å; Q18-V28 HydrophobicContact CG-CG2 3.66Å; Q18-L155 WeakPolarHBondContact O-CD1 3.28Å; Q18-L155 WeakPolarHBondContact O-CD2 3.43Å
19S88.1Confident90.5Very high54 Ų5440.8 Ų40.838%0.37825%0.247SC..EExtended strand (participates in β ladder)trans-155.7159.6172.268.60000111.2A25 Q26S19-A25 WeakPolarHBondContact O-CA 3.27Å; S19-Q26 PolarHBondContact N-O 2.79Å; S19-Q26 PolarHBondContact O-N 2.84Å; S19-Q26 VanDerWaalsContact OG-CB 3.29Å; S19-Q26 WeakPolarHBondContact OG-CB 3.47Å; S19-Q26 WeakPolarHBondContact OG-CG 3.19Å
20V90.2Very high90.7Very high45 Ų4542.1 Ų42.127%0.27325%0.25SS..EExtended strand (participates in β ladder)trans-127.4132.1-177.9-177.40000108.1V17 F41 F123 T168V17-V20 HydrophobicContact CG1-CG2 3.67Å; V20-F41 HydrophobicContact CG1-CE1 4.07Å; V20-F41 HydrophobicContact CG1-CZ 4.09Å; V20-F123 HydrophobicContact CG1-CB 4.31Å; V20-F123 HydrophobicContact CG1-CD1 4.14Å; V20-F123 HydrophobicContact CG1-CD2 4.29Å; V20-F123 HydrophobicContact CG1-CG 3.99Å; V20-F123 HydrophobicContact CG2-CD1 3.65Å; V20-F123 HydrophobicContact CG2-CE1 3.69Å; V20-F123 HydrophobicContact CG2-CG 4.35Å; V20-F123 HydrophobicContact CG2-CZ 4.46Å; V20-T168 HydrophobicContact CG2-CG2 4.27Å
21S85.9Confident90.5Very high53 Ų5344.2 Ų44.237%0.37125%0.253SS..  trans-111-176.917371.50000110.1S23 S24S21-S23 VanDerWaalsContact C-N 3.28Å; S21-S23 PolarHBondContact O-N 3.19Å; S21-S24 PolarHBondContact N-O 2.9Å; S21-S24 PolarHBondContact OG-N 3.23Å; S21-S24 VanDerWaalsContact OG-N 3.08Å; S21-S24 PolarHBondContact OG-O 3.13Å; S21-S24 PolarHBondContact OG-OG 3.22Å
22S84.3Confident90.2Very high112 Ų11247.1 Ų47.178%0.78327%0.268SS*.SBendtrans-66.8-26.4178.351.80000114.1
23S85.9Confident89.6Confident86 Ų8650.2 Ų50.260%0.60129%0.292SS*.SBendtrans-124.3-12.1-172.959.60000114.8S21 F41S21-S23 VanDerWaalsContact C-N 3.28Å; S21-S23 PolarHBondContact O-N 3.19Å; S23-F41 VanDerWaalsContact C-CE2 3.44Å
24S91.7Very high89.1Confident22 Ų2257.1 Ų57.115%0.15433%0.328CS..  trans-154.4161.7-175.862.70000112.4S21 V39S21-S24 PolarHBondContact N-O 2.9Å; S21-S24 PolarHBondContact OG-N 3.23Å; S21-S24 VanDerWaalsContact OG-N 3.08Å; S21-S24 PolarHBondContact OG-O 3.13Å; S21-S24 PolarHBondContact OG-OG 3.22Å; S24-V39 CarbonylContact C-O 3.5Å; S24-V39 VanDerWaalsContact CA-O 3.29Å; S24-V39 WeakPolarHBondContact CA-O 3.35Å; S24-V39 VanDerWaalsContact CB-O 3.26Å; S24-V39 WeakPolarHBondContact CB-O 3.47Å
25A92.4Very high88.8Confident0 Ų056 Ų560%033%0.328CS..EExtended strand (participates in β ladder)trans-109.2142.9168.400000110.3V17 S19 V27 V39 F41 L44V17-A25 HydrophobicContact CG1-CB 4.23Å; S19-A25 WeakPolarHBondContact O-CA 3.27Å; A25-V27 HydrophobicContact CB-CG2 4Å; A25-V39 PolarHBondContact N-O 3.45Å; A25-V39 PolarHBondContact O-N 3.13Å; A25-F41 HydrophobicContact CB-CD1 4.45Å; A25-F41 HydrophobicContact CB-CE1 4.07Å; A25-L44 HydrophobicContact CB-CD1 3.83Å
26Q93.3Very high88.5Confident58 Ų5860.5 Ų60.527%0.27135%0.35SS..EExtended strand (participates in β ladder)trans-87.3118.5168.5-63.7-64-19.900108.4Q18 S19 I36Q18-Q26 PolarHBondContact N-O 3.07Å; S19-Q26 PolarHBondContact N-O 2.79Å; S19-Q26 PolarHBondContact O-N 2.84Å; S19-Q26 VanDerWaalsContact OG-CB 3.29Å; S19-Q26 WeakPolarHBondContact OG-CB 3.47Å; S19-Q26 WeakPolarHBondContact OG-CG 3.19Å; Q26-I36 HydrophobicContact CB-CG2 3.69Å; Q26-I36 HydrophobicContact CG-CG2 4.38Å
27V93.1Very high88.3Confident1 Ų162.3 Ų62.31%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-126.3139.5-168.8178.50000110.3V3 A15 T16 V17 A25 K37 V39 L44V3-V27 HydrophobicContact CG2-CG1 4.4Å; A15-V27 HydrophobicContact CB-CG1 3.33Å; T16-V27 CarbonylContact O-C 3.57Å; T16-V27 WeakPolarHBondContact O-CA 3.17Å; V17-V27 HydrophobicContact CG2-CG2 4.25Å; A25-V27 HydrophobicContact CB-CG2 4Å; V27-K37 PolarHBondContact N-O 3.44Å; V27-K37 PolarHBondContact O-N 2.97Å; V27-V39 HydrophobicContact CB-CG2 4.15Å; V27-V39 HydrophobicContact CG2-CB 4.48Å; V27-V39 HydrophobicContact CG2-CG2 4.29Å; V27-L44 HydrophobicContact CG2-CD1 4.06Å; V27-L44 HydrophobicContact CG2-CD2 4.2Å
28V93.3Very high88.4Confident13 Ų1366.6 Ų66.68%0.07938%0.381CS..EExtended strand (participates in β ladder)trans-110.4121.8171.7175.80000108.3A15 T16 Q18 P33 I36A15-V28 CarbonylContact C-O 3.51Å; A15-V28 VanDerWaalsContact CA-O 3.27Å; A15-V28 WeakPolarHBondContact CA-O 3.49Å; A15-V28 WeakPolarHBondContact CB-O 3.39Å; T16-V28 PolarHBondContact N-O 3.47Å; T16-V28 PolarHBondContact O-N 3.22Å; T16-V28 PolarHBondContact OG1-O 3.06Å; Q18-V28 HydrophobicContact CG-CB 4.43Å; Q18-V28 HydrophobicContact CG-CG2 3.66Å; V28-P33 VanDerWaalsContact CG1-CA 3.48Å; V28-P33 HydrophobicContact CG1-CB 4.39Å; V28-P33 WeakPolarHBondContact CG1-O 3.36Å; V28-I36 HydrophobicContact CG2-CB 4.38Å; V28-I36 HydrophobicContact CG2-CG1 3.71Å
29V91.5Very high88.5Confident10 Ų1062.7 Ų62.76%0.06136%0.364CS..EExtended strand (participates in β ladder)trans-82.4139.1178.4-175.60000108.6L5 L13 A15 N31 D32L5-V29 HydrophobicContact CD2-CG2 3.66Å; L13-V29 HydrophobicContact CB-CG1 4.07Å; L13-V29 HydrophobicContact CD1-CG1 4.22Å; A15-V29 HydrophobicContact CB-CG2 4.36Å; V29-N31 HydrophobicContact CG1-CB 4.37Å; V29-N31 PolarHBondContact O-N 3.46Å; V29-D32 CarbonylContact O-C 3.59Å; V29-D32 PolarHBondContact O-N 3.3Å
30E89.1Confident88.7Confident114 Ų11462.3 Ų62.353%0.53336%0.364SS..THydrogen-bonded Turntrans-57.1-36-177.7-172.6178.7174.200112.7K14 D32K14-E30 HydrophobicContact CB-CB 4.23Å; K14-E30 WeakPolarHBondContact CB-OE2 3.4Å; K14-E30 WeakPolarHBondContact CD-OE2 3.14Å; K14-E30 PolarHBondContact O-N 3.34Å; E30-D32 PolarHBondContact O-N 2.98Å
31N80.2Confident88.8Confident82 Ų8261 Ų6144%0.43936%0.355SS..THydrogen-bonded Turntrans-72.2-12.9178.3-62.5-26.5000113.8V29 L75V29-N31 HydrophobicContact CG1-CB 4.37Å; V29-N31 PolarHBondContact O-N 3.46Å; N31-L75 PolarHBondContact ND2-O 3.4Å; N31-L75 VanDerWaalsContact ND2-O 3.12Å
32D84.3Confident89.1Confident60 Ų6063.4 Ų63.432%0.32136%0.364SS..EExtended strand (participates in β ladder)trans-146.370.6-177.2-170.55.2000110.5V29 E30 L34 V35V29-D32 CarbonylContact O-C 3.59Å; V29-D32 PolarHBondContact O-N 3.3Å; E30-D32 PolarHBondContact O-N 2.98Å; D32-L34 PolarHBondContact O-N 3.25Å; D32-L34 VanDerWaalsContact O-N 3.12Å; D32-V35 PolarHBondContact O-N 3.02Å; D32-V35 WeakPolarHBondContact OD1-CG2 3.33Å; D32-V35 WeakPolarHBondContact OD2-CB 3.49Å; D32-V35 VanDerWaalsContact OD2-CG2 3.26Å; D32-V35 WeakPolarHBondContact OD2-CG2 3.45Å
33P82.1Confident89.6Confident92 Ų9260 Ų6060%0.59734%0.34SS*.EExtended strand (participates in β ladder)trans-69.7-12.3-168.527.7-35.3000113.9V28V28-P33 VanDerWaalsContact CG1-CA 3.48Å; V28-P33 HydrophobicContact CG1-CB 4.39Å; V28-P33 WeakPolarHBondContact CG1-O 3.36Å
34L83.5Confident89.9Confident161 Ų16155.9 Ų55.984%0.84331%0.311SS*.EExtended strand (participates in β ladder)trans-90-15.9-177.9-62.8176.2000112.7D32D32-L34 PolarHBondContact O-N 3.25Å; D32-L34 VanDerWaalsContact O-N 3.12Å
35V86.9Confident90.1Very high59 Ų5955.3 Ų55.336%0.35831%0.305SS..EExtended strand (participates in β ladder)trans-108112.8-174.7-176.90000110.5D32 K37D32-V35 PolarHBondContact O-N 3.02Å; D32-V35 WeakPolarHBondContact OD1-CG2 3.33Å; D32-V35 WeakPolarHBondContact OD2-CB 3.49Å; D32-V35 VanDerWaalsContact OD2-CG2 3.26Å; D32-V35 WeakPolarHBondContact OD2-CG2 3.45Å; V35-K37 HydrophobicContact CG1-CD 4.49Å; V35-K37 HydrophobicContact CG1-CG 3.89Å
36I89.2Confident90.1Very high99 Ų9956.7 Ų56.751%0.50831%0.313SS..EExtended strand (participates in β ladder)trans-85.1122.3170.5-54.8175.2000108.2Q26 V28Q26-I36 HydrophobicContact CB-CG2 3.69Å; Q26-I36 HydrophobicContact CG-CG2 4.38Å; V28-I36 HydrophobicContact CG2-CB 4.38Å; V28-I36 HydrophobicContact CG2-CG1 3.71Å
37K88.7Confident90Very high87 Ų8755.6 Ų55.638%0.37831%0.31SS..EExtended strand (participates in β ladder)trans-112130.6-179.2-62.5-176-177.8176.10110.7V27 V35 V39V27-K37 PolarHBondContact N-O 3.44Å; V27-K37 PolarHBondContact O-N 2.97Å; V35-K37 HydrophobicContact CG1-CD 4.49Å; V35-K37 HydrophobicContact CG1-CG 3.89Å; K37-V39 HydrophobicContact CB-CG2 4.27Å
38P92.5Very high89.8Confident91 Ų9157.5 Ų57.559%0.59132%0.323SS*.EExtended strand (participates in β ladder)trans-72.6126.3166.128.6-31.1000109.4
39V91.9Very high89.3Confident18 Ų1860.9 Ų60.911%0.10935%0.352CS..EExtended strand (participates in β ladder)trans-130.7136.1-177.8-170.50000109.9L5 S24 A25 V27 K37 C43 L44L5-V39 HydrophobicContact CD1-CB 4.25Å; L5-V39 HydrophobicContact CD1-CG1 3.33Å; L5-V39 HydrophobicContact CD1-CG2 3.95Å; S24-V39 CarbonylContact C-O 3.5Å; S24-V39 VanDerWaalsContact CA-O 3.29Å; S24-V39 WeakPolarHBondContact CA-O 3.35Å; S24-V39 VanDerWaalsContact CB-O 3.26Å; S24-V39 WeakPolarHBondContact CB-O 3.47Å; A25-V39 PolarHBondContact N-O 3.45Å; A25-V39 PolarHBondContact O-N 3.13Å; V27-V39 HydrophobicContact CB-CG2 4.15Å; V27-V39 HydrophobicContact CG2-CB 4.48Å; V27-V39 HydrophobicContact CG2-CG2 4.29Å; K37-V39 HydrophobicContact CB-CG2 4.27Å; V39-C43 HydrophobicContact CG1-CB 3.65Å; V39-L44 HydrophobicContact CG1-CD2 4.1Å; V39-L44 HydrophobicContact CG1-CG 4.17Å
40A93.3Very high88.4Confident46 Ų4669.9 Ų69.938%0.3839%0.394SS..  trans-64.6149.416900000111.5D42 C43A40-D42 VanDerWaalsContact C-N 3.31Å; A40-D42 WeakPolarHBondContact CB-OD1 3.36Å; A40-D42 PolarHBondContact O-N 3.18Å; A40-C43 PolarHBondContact O-N 3.39Å
41F92.6Very high87.3Confident17 Ų1769.5 Ų69.58%0.07540%0.399CS..G310 helixtrans-65.8-32.7-173.7-60-59000113.5V20 S23 A25 C43 L44 L118 A120 F123V20-F41 HydrophobicContact CG1-CE1 4.07Å; V20-F41 HydrophobicContact CG1-CZ 4.09Å; S23-F41 VanDerWaalsContact C-CE2 3.44Å; A25-F41 HydrophobicContact CB-CD1 4.45Å; A25-F41 HydrophobicContact CB-CE1 4.07Å; F41-C43 PolarHBondContact O-N 3.32Å; F41-L44 WeakPolarHBondContact O-CB 3.34Å; F41-L44 PolarHBondContact O-N 3.4Å; F41-L118 CarbonylContact C-O 3.54Å; F41-L118 HydrophobicContact CB-CB 4.41Å; F41-L118 VanDerWaalsContact CB-O 3.3Å; F41-L118 WeakPolarHBondContact CB-O 3.43Å; F41-L118 PolarHBondContact O-N 3.34Å; F41-A120 HydrophobicContact CD2-CB 3.95Å; F41-A120 HydrophobicContact CE2-CB 3.72Å; F41-F123 HydrophobicContact CD1-CD2 4.17Å; F41-F123 AromaticContact CD1-CE2 3.4Å; F41-F123 HydrophobicContact CD1-CE2 3.4Å; F41-F123 VanDerWaalsContact CD1-CE2 3.4Å; F41-F123 HydrophobicContact CD1-CZ 4.11Å; F41-F123 AromaticContact CE1-CD2 3.89Å; F41-F123 HydrophobicContact CE1-CD2 3.89Å; F41-F123 AromaticContact CE1-CE2 3.44Å; F41-F123 HydrophobicContact CE1-CE2 3.44Å; F41-F123 VanDerWaalsContact CE1-CE2 3.44Å; F41-F123 HydrophobicContact CE1-CZ 4.08Å; F41-F123 HydrophobicContact CG-CE2 4.37Å; F41-F123 HydrophobicContact CZ-CE2 4.44Å
42D92.3Very high86.5Confident103 Ų10372.9 Ų72.955%0.55142%0.423SS*.G310 helixtrans-66.4-16.7179.263.9-22.4000113.9A40 C117 L118A40-D42 VanDerWaalsContact C-N 3.31Å; A40-D42 WeakPolarHBondContact CB-OD1 3.36Å; A40-D42 PolarHBondContact O-N 3.18Å; D42-C117 WeakPolarHBondContact O-CB 3.29Å; D42-C117 PolarHBondContact O-SG 3.01Å; D42-L118 PolarHBondContact N-O 2.96Å
43C93Very high85.6Confident41 Ų4177.4 Ų77.428%0.27744%0.442SS..G310 helixtrans-88.4-2.4171.4-68.90000113.3L5 K6 V39 A40 F41L5-C43 HydrophobicContact CD1-CB 4.24Å; K6-C43 HydrophobicContact CB-CB 4.41Å; K6-C43 WeakPolarHBondContact CB-O 3.39Å; K6-C43 PolarHBondContact N-O 3.14Å; V39-C43 HydrophobicContact CG1-CB 3.65Å; A40-C43 PolarHBondContact O-N 3.39Å; F41-C43 PolarHBondContact O-N 3.32Å
44L94.1Very high85.1Confident0 Ų080.1 Ų80.10%044%0.444CS..EExtended strand (participates in β ladder)trans-112.8145.7-178.5-60.3175.6000110.6V3 E4 L5 A25 V27 V39 F41 C117 L118V3-L44 HydrophobicContact CG2-CD2 4.21Å; E4-L44 CarbonylContact O-C 3.57Å; E4-L44 VanDerWaalsContact O-CA 3.32Å; E4-L44 WeakPolarHBondContact O-CA 3.2Å; L5-L44 HydrophobicContact CB-CD2 4.13Å; L5-L44 HydrophobicContact CD1-CD2 3.79Å; A25-L44 HydrophobicContact CB-CD1 3.83Å; V27-L44 HydrophobicContact CG2-CD1 4.06Å; V27-L44 HydrophobicContact CG2-CD2 4.2Å; V39-L44 HydrophobicContact CG1-CD2 4.1Å; V39-L44 HydrophobicContact CG1-CG 4.17Å; F41-L44 WeakPolarHBondContact O-CB 3.34Å; F41-L44 PolarHBondContact O-N 3.4Å; L44-C117 CarbonylContact O-C 3.58Å; L44-C117 WeakPolarHBondContact O-CA 3.46Å; L44-L118 HydrophobicContact CB-CB 4.34Å; L44-L118 HydrophobicContact CB-CD1 3.82Å; L44-L118 HydrophobicContact CB-CG 4.21Å; L44-L118 PolarHBondContact O-N 2.81Å
45R94.3Very high84.7Confident9 Ų975 Ų753%0.03442%0.421CS..EExtended strand (participates in β ladder)trans-140.6165.5166.872.9-178.3-177.3-179.60.6110.5E4 W12 E64 R110E4-R45 HydrophobicContact CB-CG 3.94Å; E4-R45 PolarHBondContact N-O 3.43Å; E4-R45 PolarHBondContact O-N 2.99Å; E4-R45 IonicContact OE2-CZ 3.28Å; E4-R45 VanDerWaalsContact OE2-CZ 3.28Å; E4-R45 IonicContact OE2-NE 2.7Å; E4-R45 PolarHBondContact OE2-NE 3.27Å; E4-R45 IonicContact OE2-NH2 2.59Å; E4-R45 PolarHBondContact OE2-NH2 2.82Å; W12-R45 HydrophobicContact CD2-CG 4.18Å; W12-R45 VanDerWaalsContact CD2-CZ 3.46Å; W12-R45 HydrophobicContact CE3-CG 3.62Å; W12-R45 HydrophobicContact CH2-CB 4.12Å; W12-R45 HydrophobicContact CH2-CG 3.93Å; W12-R45 HydrophobicContact CZ2-CG 4.46Å; W12-R45 HydrophobicContact CZ3-CB 3.91Å; W12-R45 HydrophobicContact CZ3-CG 3.49Å; W12-R45 VanDerWaalsContact CZ3-CG 3.49Å; R45-E64 IonicContact CZ-OE1 3.33Å; R45-E64 IonicContact CZ-OE2 2.88Å; R45-E64 IonicContact NH1-OE1 2.87Å; R45-E64 PolarHBondContact NH1-OE1 2.83Å; R45-E64 IonicContact NH2-OE1 3.72Å; R45-E64 PolarHBondContact NH2-OE1 3.4Å; R45-E64 IonicContact NH2-OE2 2.88Å; R45-E64 PolarHBondContact NH2-OE2 3Å; R45-R110 VanDerWaalsContact NH2-NH2 3.13Å
46L92.9Very high84.4Confident30 Ų3078.4 Ų78.416%0.15744%0.441CS..PPolyproline II helixtrans-79.5143.4170.6-57.1-178.6000110.5V3 N115 L118 C170 Y171V3-L46 HydrophobicContact CG1-CD2 4.34Å; L46-N115 PolarHBondContact O-ND2 2.9Å; L46-L118 HydrophobicContact CD2-CD1 4.36Å; L46-L118 HydrophobicContact CD2-CD2 4.08Å; L46-L118 HydrophobicContact CG-CD2 4.01Å; L46-C170 HydrophobicContact CD2-CB 4.23Å; L46-C170 WeakPolarHBondContact CD2-SG 3.47Å; L46-Y171 HydrophobicContact CD1-CE1 4.25Å
47P91.5Very high84.4Confident34 Ų3474.5 Ų74.522%0.22142%0.42CS..PPolyproline II helixtrans-59.7151.9169.227.6-34.1000110.1E4 N115E4-P47 HydrophobicContact CG-CB 4.32Å; P47-N115 PolarHBondContact O-ND2 3.18Å
48P88.7Confident84.4Confident41 Ų4177.3 Ų77.327%0.26643%0.433SS..PPolyproline II helixtrans-61.7150.7175.626.9-32.1000110.4E50 C113P48-E50 PolarHBondContact O-N 3.13Å; P48-C113 HydrophobicContact CB-CB 4.41Å; P48-C113 HydrophobicContact CG-CB 4.43Å
49A82.5Confident84.3Confident84 Ų8479.7 Ų79.769%0.69444%0.436SS*.PPolyproline II helixtrans-60.7135.8176.100000110.7T51A49-T51 PolarHBondContact O-N 2.95Å; A49-T51 PolarHBondContact O-OG1 2.87Å
50E73.7Confident84.3Confident200 Ų20086.5 Ų86.594%0.93546%0.464SS*.  trans-58.8115.7175.6-68.9-172.4166.500109.7P48P48-E50 PolarHBondContact O-N 3.13Å
51T66.2Low84.3Confident106 Ų10687.3 Ų87.365%0.6546%0.462SS*.  trans-95.7124.6179.1-52.90000108.7A49 Q53A49-T51 PolarHBondContact O-N 2.95Å; A49-T51 PolarHBondContact O-OG1 2.87Å; T51-Q53 VanDerWaalsContact C-N 3.25Å; T51-Q53 WeakPolarHBondContact CG2-O 3.37Å; T51-Q53 PolarHBondContact O-N 3.05Å
52T62.4Low84.4Confident152 Ų15290.6 Ų90.693%0.93348%0.48SS*.SBendtrans-69-22.3-179.611.20000113.3
53Q65.3Low84.5Confident156 Ų15685.7 Ų85.773%0.72945%0.454SS*.SBendtrans-104.2124.3177.2-65.7-176.62.800110.3T51 P55T51-Q53 VanDerWaalsContact C-N 3.25Å; T51-Q53 WeakPolarHBondContact CG2-O 3.37Å; T51-Q53 PolarHBondContact O-N 3.05Å; Q53-P55 WeakPolarHBondContact O-CD 3.46Å
54K71.2Confident84.6Confident148 Ų14883.8 Ų83.864%0.64344%0.441SS*.  trans-67.2119172.4-69.1-173.6-176.6-179.20108.9D107K54-D107 WeakPolarHBondContact CE-OD1 3.42Å; K54-D107 IonicContact NZ-OD1 2.77Å; K54-D107 PolarHBondContact NZ-OD1 3.11Å
55P74.5Confident84.6Confident53 Ų5383.8 Ų83.834%0.34444%0.441SS..  trans-66.8145.8179.926.8-32.9000110.7Q53 Y57 P111Q53-P55 WeakPolarHBondContact O-CD 3.46Å; P55-Y57 HydrophobicContact CB-CE1 4.35Å; P55-Y57 HydrophobicContact CG-CE1 3.86Å; P55-Y57 HydrophobicContact CG-CE2 4.33Å; P55-Y57 WeakPolarHBondContact CG-OH 3.4Å; P55-P111 HydrophobicContact CB-CG 4.44Å; P55-P111 HydrophobicContact CG-CG 3.81Å
56V82.1Confident84.5Confident131 Ų13185.5 Ų85.579%0.79445%0.448SS*.  trans-89.7113.1173.8-178.70000108.3
57Y88.3Confident84.4Confident17 Ų1784.6 Ų84.67%0.06744%0.444CS..  trans-83.7136.7-179.8-55.2-69.6000112.1P55 V63 V90 V106 V109 R110P55-Y57 HydrophobicContact CB-CE1 4.35Å; P55-Y57 HydrophobicContact CG-CE1 3.86Å; P55-Y57 HydrophobicContact CG-CE2 4.33Å; P55-Y57 WeakPolarHBondContact CG-OH 3.4Å; Y57-V63 HydrophobicContact CD1-CG1 3.4Å; Y57-V63 VanDerWaalsContact CD1-CG1 3.4Å; Y57-V63 HydrophobicContact CE1-CB 4.5Å; Y57-V63 HydrophobicContact CE1-CG1 3.48Å; Y57-V63 VanDerWaalsContact CE1-CG1 3.48Å; Y57-V63 HydrophobicContact CG-CG1 4.27Å; Y57-V90 HydrophobicContact CD2-CG2 4.2Å; Y57-V106 HydrophobicContact CD2-CG2 4.27Å; Y57-V106 HydrophobicContact CE2-CG2 3.96Å; Y57-V109 HydrophobicContact CD2-CG1 4.23Å; Y57-V109 HydrophobicContact CE1-CG1 4.09Å; Y57-V109 HydrophobicContact CE2-CB 3.96Å; Y57-V109 HydrophobicContact CE2-CG1 3.64Å; Y57-V109 VanDerWaalsContact OH-C 3.3Å; Y57-V109 PolarHBondContact OH-O 3.39Å; Y57-V109 VanDerWaalsContact OH-O 3.1Å; Y57-R110 WeakPolarHBondContact OH-CA 3.46Å; Y57-R110 PolarHBondContact OH-N 3.17Å
58K88.9Confident84.3Confident147 Ų14790 Ų9064%0.63946%0.46SS*.  trans-105.4157.7174.5-62.4178.8-177175.20110.5K60 D61 V82K58-K60 PolarHBondContact O-N 3.01Å; K58-D61 PolarHBondContact N-OD2 2.87Å; K58-D61 VanDerWaalsContact O-CB 3.3Å; K58-D61 WeakPolarHBondContact O-CB 3.37Å; K58-D61 VanDerWaalsContact O-CG 3.32Å; K58-D61 PolarHBondContact O-N 3.33Å; K58-D61 VanDerWaalsContact O-N 3.16Å; K58-V82 WeakPolarHBondContact O-CB 3.28Å; K58-V82 WeakPolarHBondContact O-CG1 3.4Å
59E91.1Very high84.2Confident141 Ų14189.2 Ų89.266%0.65946%0.455SS*.THydrogen-bonded Turntrans-54.9137.4171.6-62.9-175.918000110.4D61 Q83E59-D61 VanDerWaalsContact C-N 3.3Å; E59-D61 PolarHBondContact O-N 2.88Å; E59-Q83 WeakPolarHBondContact CG-O 3.46Å
60K91.4Very high84.2Confident161 Ų16187.3 Ų87.370%0.744%0.436SS*.THydrogen-bonded Turntrans76.6-4.8-176.2-51.1175.7-179.2176.10116.4K58 R81 V82K58-K60 PolarHBondContact O-N 3.01Å; K60-R81 PolarHBondContact O-NH1 2.82Å; K60-V82 WeakPolarHBondContact CA-O 3.27Å; K60-V82 PolarHBondContact N-O 3.24Å
61D93.8Very high84.6Confident63 Ų6387 Ų8734%0.33744%0.435SS..  trans-58.9142.6173.4-73-9.9000110.8K58 E59 R81 V82K58-D61 PolarHBondContact N-OD2 2.87Å; K58-D61 VanDerWaalsContact O-CB 3.3Å; K58-D61 WeakPolarHBondContact O-CB 3.37Å; K58-D61 VanDerWaalsContact O-CG 3.32Å; K58-D61 PolarHBondContact O-N 3.33Å; K58-D61 VanDerWaalsContact O-N 3.16Å; E59-D61 VanDerWaalsContact C-N 3.3Å; E59-D61 PolarHBondContact O-N 2.88Å; D61-R81 WeakPolarHBondContact O-CA 3.34Å; D61-V82 HydrophobicContact CB-CB 4.46Å; D61-V82 HydrophobicContact CB-CG2 4.23Å; D61-V82 PolarHBondContact O-N 2.92Å
62L94.3Very high85.4Confident85 Ų8587.2 Ų87.245%0.44544%0.441SS..EExtended strand (participates in β ladder)trans-88.8129.8170.2-76.8168.1000108.9L95 V112L62-L95 HydrophobicContact CD2-CD1 3.65Å; L62-V112 HydrophobicContact CB-CG2 4Å; L62-V112 WeakPolarHBondContact O-CG2 3.34Å
63V94.4Very high86.4Confident1 Ų180.6 Ų80.61%0.00640%0.4CS..EExtended strand (participates in β ladder)trans-135.4165.1-178-64.50000110.2Y57 V65 Q79 A80 V82 V92 V109 R110Y57-V63 HydrophobicContact CD1-CG1 3.4Å; Y57-V63 VanDerWaalsContact CD1-CG1 3.4Å; Y57-V63 HydrophobicContact CE1-CB 4.5Å; Y57-V63 HydrophobicContact CE1-CG1 3.48Å; Y57-V63 VanDerWaalsContact CE1-CG1 3.48Å; Y57-V63 HydrophobicContact CG-CG1 4.27Å; V63-V65 HydrophobicContact CG2-CG1 3.96Å; V63-Q79 CarbonylContact O-C 3.08Å; V63-Q79 WeakPolarHBondContact O-CA 3.34Å; V63-A80 HydrophobicContact CG2-CB 4.33Å; V63-A80 WeakPolarHBondContact CG2-O 3.4Å; V63-A80 PolarHBondContact N-O 3.16Å; V63-A80 PolarHBondContact O-N 3.06Å; V63-V82 HydrophobicContact CB-CG2 4.44Å; V63-V82 HydrophobicContact CG1-CG2 3.73Å; V63-V82 HydrophobicContact CG2-CG2 3.78Å; V63-V92 HydrophobicContact CG2-CG1 4.32Å; V63-V109 HydrophobicContact CB-CG1 3.79Å; V63-V109 HydrophobicContact CG1-CG1 4.07Å; V63-V109 HydrophobicContact CG2-CG1 3.87Å; V63-R110 WeakPolarHBondContact CB-O 3.42Å
64E94.5Very high87.3Confident0 Ų075.3 Ų75.30%038%0.379CS..EExtended strand (participates in β ladder)trans-106135.9163-76.4177.4178.900109.4R45 W77 Y78 Q79 R110 V112 C113R45-E64 IonicContact CZ-OE1 3.33Å; R45-E64 IonicContact CZ-OE2 2.88Å; R45-E64 IonicContact NH1-OE1 2.87Å; R45-E64 PolarHBondContact NH1-OE1 2.83Å; R45-E64 IonicContact NH2-OE1 3.72Å; R45-E64 PolarHBondContact NH2-OE1 3.4Å; R45-E64 IonicContact NH2-OE2 2.88Å; R45-E64 PolarHBondContact NH2-OE2 3Å; E64-W77 HydrophobicContact CB-CB 4.49Å; E64-W77 HydrophobicContact CB-CE3 4.2Å; E64-Y78 CarbonylContact C-O 3.56Å; E64-Y78 VanDerWaalsContact CA-O 3.28Å; E64-Y78 WeakPolarHBondContact CA-O 3.21Å; E64-Q79 HydrophobicContact CG-CG 4.06Å; E64-R110 HydrophobicContact CB-CG 3.86Å; E64-R110 PolarHBondContact N-O 2.86Å; E64-R110 PolarHBondContact O-N 2.87Å; E64-R110 IonicContact OE2-CZ 2.86Å; E64-R110 VanDerWaalsContact OE2-CZ 3.25Å; E64-R110 IonicContact OE2-NE 2.74Å; E64-R110 PolarHBondContact OE2-NE 2.89Å; E64-R110 IonicContact OE2-NH2 3.91Å; E64-R110 PolarHBondContact OE2-NH2 2.85Å; E64-V112 HydrophobicContact CG-CG2 4.47Å; E64-C113 PolarHBondContact OE1-N 3.35Å
65V93.8Very high88.2Confident0 Ų070.5 Ų70.50%036%0.36CS..EExtended strand (participates in β ladder)trans-120.9135.7-178.8-58.50000110.3V63 A67 W77 Y78 A80 V92 L94 I104 C108 V109V63-V65 HydrophobicContact CG2-CG1 3.96Å; V65-A67 HydrophobicContact CG2-CB 4.14Å; V65-A67 PolarHBondContact O-N 2.79Å; V65-W77 CarbonylContact O-C 3.57Å; V65-W77 WeakPolarHBondContact O-CA 3.38Å; V65-Y78 PolarHBondContact N-O 3.4Å; V65-Y78 PolarHBondContact O-N 3.44Å; V65-A80 HydrophobicContact CG1-CB 3.97Å; V65-A80 HydrophobicContact CG2-CB 3.92Å; V65-V92 HydrophobicContact CG1-CG1 4.21Å; V65-V92 HydrophobicContact CG1-CG2 4.23Å; V65-L94 HydrophobicContact CG2-CG 4.28Å; V65-I104 HydrophobicContact CB-CD1 3.48Å; V65-I104 VanDerWaalsContact CB-CD1 3.48Å; V65-I104 HydrophobicContact CG1-CD1 3.9Å; V65-I104 HydrophobicContact CG2-CD1 3.51Å; V65-C108 CarbonylContact C-O 3.6Å; V65-C108 WeakPolarHBondContact CA-O 3.33Å; V65-V109 HydrophobicContact CG1-CG1 4.18Å; V65-V109 HydrophobicContact CG1-CG2 4.07Å
66Y93.5Very high89.1Confident46 Ų4668 Ų6818%0.1834%0.344CS..EExtended strand (participates in β ladder)trans-83.5100.9176.4-165.1-112.4000108.7K14 L75 G76 W77 C108K14-Y66 HydrophobicContact CD-CE2 4.33Å; Y66-L75 HydrophobicContact CD1-CD2 4.48Å; Y66-L75 HydrophobicContact CD1-CG 4.39Å; Y66-L75 HydrophobicContact CE1-CD1 4.24Å; Y66-L75 HydrophobicContact CE1-CD2 3.52Å; Y66-L75 HydrophobicContact CE1-CG 3.69Å; Y66-L75 HydrophobicContact CE2-CG 4.35Å; Y66-L75 WeakPolarHBondContact OH-CD2 3.5Å; Y66-G76 CarbonylContact C-O 3.5Å; Y66-G76 WeakPolarHBondContact CA-O 3.39Å; Y66-W77 AromaticContact CD2-CD1 3.94Å; Y66-W77 AromaticContact CD2-CD2 3.83Å; Y66-W77 HydrophobicContact CD2-CD2 3.83Å; Y66-W77 AromaticContact CD2-CE2 3.62Å; Y66-W77 HydrophobicContact CD2-CE3 4.47Å; Y66-W77 HydrophobicContact CD2-CG 4.02Å; Y66-W77 HydrophobicContact CD2-CZ2 4.12Å; Y66-W77 AromaticContact CD2-NE1 3.69Å; Y66-W77 HydrophobicContact CG-CD2 4.38Å; Y66-W77 HydrophobicContact CG-CZ2 4.26Å; Y66-W77 VanDerWaalsContact N-CE3 3.33Å; Y66-C108 PolarHBondContact N-O 3.21Å
67A90.5Very high89.7Confident10 Ų1063 Ų638%0.08331%0.311CS..EExtended strand (participates in β ladder)trans-149169.6-168.900000111.9V65 G76 Y78 L94 I104V65-A67 HydrophobicContact CG2-CB 4.14Å; V65-A67 PolarHBondContact O-N 2.79Å; A67-G76 PolarHBondContact N-O 3.28Å; A67-G76 PolarHBondContact O-N 2.81Å; A67-G76 VanDerWaalsContact O-O 3.14Å; A67-Y78 WeakPolarHBondContact O-CE2 3.28Å; A67-L94 HydrophobicContact CB-CD2 4.41Å; A67-I104 HydrophobicContact CB-CD1 4.16Å
68R89.6Confident90Very high149 Ų14962.2 Ų62.256%0.56231%0.308SS*.  trans-117.8100170.2178.3179.9-59.5147.12.1108S70 D73 L75R68-S70 VanDerWaalsContact C-N 3.31Å; R68-S70 WeakPolarHBondContact CD-O 3.38Å; R68-S70 WeakPolarHBondContact CG-O 3.45Å; R68-S70 PolarHBondContact O-N 3.19Å; R68-D73 WeakPolarHBondContact CD-O 3.42Å; R68-D73 HydrophobicContact CG-CB 4.4Å; R68-D73 VanDerWaalsContact CG-O 3.32Å; R68-D73 WeakPolarHBondContact CG-O 3.38Å; R68-L75 HydrophobicContact CB-CD1 4.07Å
69P85.8Confident90.2Very high24 Ų2459.1 Ų59.116%0.15630%0.295CS..SBendtrans-58.1-36.7-175.8-27.634.5000114.8D73 Y78 L94 V96 T99P69-D73 HydrophobicContact CB-CB 4.46Å; P69-D73 HydrophobicContact CG-CB 4.45Å; P69-Y78 HydrophobicContact CG-CD1 3.66Å; P69-Y78 HydrophobicContact CG-CD2 3.76Å; P69-Y78 HydrophobicContact CG-CE1 3.52Å; P69-Y78 HydrophobicContact CG-CE2 3.66Å; P69-Y78 HydrophobicContact CG-CG 3.77Å; P69-L94 HydrophobicContact CB-CD2 4.28Å; P69-L94 HydrophobicContact CG-CD2 4.04Å; P69-V96 HydrophobicContact CB-CB 4.37Å; P69-V96 HydrophobicContact CB-CG1 4.16Å; P69-V96 HydrophobicContact CB-CG2 4.39Å; P69-V96 HydrophobicContact CG-CG2 4.09Å; P69-T99 HydrophobicContact CB-CG2 3.71Å
70S82.7Confident90.4Very high43 Ų4352.4 Ų52.430%0.30126%0.264SS..SBendtrans-143.5162.2176.973.20000110.8R68 S72 D73R68-S70 VanDerWaalsContact C-N 3.31Å; R68-S70 WeakPolarHBondContact CD-O 3.38Å; R68-S70 WeakPolarHBondContact CG-O 3.45Å; R68-S70 PolarHBondContact O-N 3.19Å; S70-S72 PolarHBondContact O-N 3.09Å; S70-S72 VanDerWaalsContact O-N 3.12Å; S70-S72 PolarHBondContact OG-OG 2.91Å; S70-D73 WeakPolarHBondContact CB-OD2 3.16Å; S70-D73 PolarHBondContact N-OD2 2.78Å; S70-D73 WeakPolarHBondContact O-CB 3.29Å; S70-D73 PolarHBondContact O-N 3.01Å; S70-D73 VanDerWaalsContact OG-CG 3.28Å; S70-D73 PolarHBondContact OG-N 3.16Å; S70-D73 PolarHBondContact OG-OD2 3.3Å
71E82.1Confident90.6Very high195 Ų19549.1 Ų49.191%0.91125%0.247SC*.THydrogen-bonded Turntrans-58.2-27.3177.6-69.6-170.3166.100113.5
72S82.8Confident90.6Very high110 Ų11046.1 Ų46.177%0.76923%0.231SC*.THydrogen-bonded Turntrans-80.5-16.117544.10000114.2S70S70-S72 PolarHBondContact O-N 3.09Å; S70-S72 VanDerWaalsContact O-N 3.12Å; S70-S72 PolarHBondContact OG-OG 2.91Å
73D82.9Confident90.6Very high12 Ų1245.5 Ų45.56%0.06423%0.226CC..SBendtrans-82.1142.1-176.2-83.4-61.6000112.9N9 R68 P69 S70N9-D73 PolarHBondContact ND2-OD1 3.46Å; R68-D73 WeakPolarHBondContact CD-O 3.42Å; R68-D73 HydrophobicContact CG-CB 4.4Å; R68-D73 VanDerWaalsContact CG-O 3.32Å; R68-D73 WeakPolarHBondContact CG-O 3.38Å; P69-D73 HydrophobicContact CB-CB 4.46Å; P69-D73 HydrophobicContact CG-CB 4.45Å; S70-D73 WeakPolarHBondContact CB-OD2 3.16Å; S70-D73 PolarHBondContact N-OD2 2.78Å; S70-D73 WeakPolarHBondContact O-CB 3.29Å; S70-D73 PolarHBondContact O-N 3.01Å; S70-D73 VanDerWaalsContact OG-CG 3.28Å; S70-D73 PolarHBondContact OG-N 3.16Å; S70-D73 PolarHBondContact OG-OD2 3.3Å
74P85.8Confident90.4Very high46 Ų4646 Ų4630%0.29923%0.231SC..PPolyproline II helixtrans-67149.5169.829.4-35000111.1L13 G76 Y78L13-P74 HydrophobicContact CD1-CB 3.98Å; L13-P74 HydrophobicContact CD1-CG 3.93Å; L13-P74 HydrophobicContact CD2-CB 3.7Å; L13-P74 HydrophobicContact CD2-CG 3.71Å; L13-P74 HydrophobicContact CG-CG 4.42Å; P74-G76 PolarHBondContact O-N 3.28Å; P74-Y78 PolarHBondContact O-OH 3.33Å; P74-Y78 VanDerWaalsContact O-OH 3.07Å
75L90.5Very high90.2Very high47 Ų4749.8 Ų49.825%0.24626%0.255CS..SBendtrans-71126.4173.7-172.270.4000109.7L13 N31 Y66 R68L13-L75 WeakPolarHBondContact CD2-O 3.22Å; N31-L75 PolarHBondContact ND2-O 3.4Å; N31-L75 VanDerWaalsContact ND2-O 3.12Å; Y66-L75 HydrophobicContact CD1-CD2 4.48Å; Y66-L75 HydrophobicContact CD1-CG 4.39Å; Y66-L75 HydrophobicContact CE1-CD1 4.24Å; Y66-L75 HydrophobicContact CE1-CD2 3.52Å; Y66-L75 HydrophobicContact CE1-CG 3.69Å; Y66-L75 HydrophobicContact CE2-CG 4.35Å; Y66-L75 WeakPolarHBondContact OH-CD2 3.5Å; R68-L75 HydrophobicContact CB-CD1 4.07Å
76G92.8Very high89.9Confident0 Ų058.3 Ų58.30%029%0.292CS..EExtended strand (participates in β ladder)trans-168.5-175.3-174.700000113.7W12 Y66 A67 P74 Y78W12-G76 WeakPolarHBondContact O-CA 3.37Å; Y66-G76 CarbonylContact C-O 3.5Å; Y66-G76 WeakPolarHBondContact CA-O 3.39Å; A67-G76 PolarHBondContact N-O 3.28Å; A67-G76 PolarHBondContact O-N 2.81Å; A67-G76 VanDerWaalsContact O-O 3.14Å; P74-G76 PolarHBondContact O-N 3.28Å; G76-Y78 WeakPolarHBondContact O-CD2 3.24Å
77W94.6Very high89.4Confident26 Ų2659.7 Ų59.710%0.09832%0.32CS..EExtended strand (participates in β ladder)trans-90117.3175.6-66.5103000111.1G11 W12 E64 V65 Y66 C108 R110G11-W77 CarbonylContact C-O 3.53Å; G11-W77 WeakPolarHBondContact CA-O 3.29Å; W12-W77 HydrophobicContact CB-CB 4.22Å; W12-W77 PolarHBondContact N-O 2.94Å; W12-W77 PolarHBondContact O-N 2.94Å; E64-W77 HydrophobicContact CB-CB 4.49Å; E64-W77 HydrophobicContact CB-CE3 4.2Å; V65-W77 CarbonylContact O-C 3.57Å; V65-W77 WeakPolarHBondContact O-CA 3.38Å; Y66-W77 AromaticContact CD2-CD1 3.94Å; Y66-W77 AromaticContact CD2-CD2 3.83Å; Y66-W77 HydrophobicContact CD2-CD2 3.83Å; Y66-W77 AromaticContact CD2-CE2 3.62Å; Y66-W77 HydrophobicContact CD2-CE3 4.47Å; Y66-W77 HydrophobicContact CD2-CG 4.02Å; Y66-W77 HydrophobicContact CD2-CZ2 4.12Å; Y66-W77 AromaticContact CD2-NE1 3.69Å; Y66-W77 HydrophobicContact CG-CD2 4.38Å; Y66-W77 HydrophobicContact CG-CZ2 4.26Å; Y66-W77 VanDerWaalsContact N-CE3 3.33Å; W77-C108 WeakPolarHBondContact CZ3-O 3.34Å; W77-R110 HydrophobicContact CD2-CG 4.46Å; W77-R110 VanDerWaalsContact CD2-CZ 3.44Å; W77-R110 HydrophobicContact CE3-CG 3.76Å; W77-R110 VanDerWaalsContact CG-CZ 3.43Å; W77-R110 HydrophobicContact CH2-CB 4.37Å; W77-R110 HydrophobicContact CH2-CG 4.06Å; W77-R110 HydrophobicContact CZ3-CB 4.12Å; W77-R110 HydrophobicContact CZ3-CG 3.53Å
78Y94.2Very high89.3Confident1 Ų161.2 Ų61.20%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-116.8143.1-179.5-68.7-91.8000110.5G11 E64 V65 A67 P69 P74 G76 V96G11-Y78 VanDerWaalsContact CA-CD1 3.47Å; E64-Y78 CarbonylContact C-O 3.56Å; E64-Y78 VanDerWaalsContact CA-O 3.28Å; E64-Y78 WeakPolarHBondContact CA-O 3.21Å; V65-Y78 PolarHBondContact N-O 3.4Å; V65-Y78 PolarHBondContact O-N 3.44Å; A67-Y78 WeakPolarHBondContact O-CE2 3.28Å; P69-Y78 HydrophobicContact CG-CD1 3.66Å; P69-Y78 HydrophobicContact CG-CD2 3.76Å; P69-Y78 HydrophobicContact CG-CE1 3.52Å; P69-Y78 HydrophobicContact CG-CE2 3.66Å; P69-Y78 HydrophobicContact CG-CG 3.77Å; P74-Y78 PolarHBondContact O-OH 3.33Å; P74-Y78 VanDerWaalsContact O-OH 3.07Å; G76-Y78 WeakPolarHBondContact O-CD2 3.24Å; Y78-V96 HydrophobicContact CD1-CG2 3.55Å; Y78-V96 HydrophobicContact CE1-CG2 4.19Å; Y78-V96 HydrophobicContact CG-CG2 4.3Å
79Q93.9Very high89.4Confident82 Ų8259 Ų5938%0.38333%0.332SS..EExtended strand (participates in β ladder)trans-71.4137.6175.3-66.8-172-1500110.7V63 E64 L95V63-Q79 CarbonylContact O-C 3.08Å; V63-Q79 WeakPolarHBondContact O-CA 3.34Å; E64-Q79 HydrophobicContact CG-CG 4.06Å; Q79-L95 HydrophobicContact CB-CD1 3.97Å; Q79-L95 WeakPolarHBondContact O-CB 3.48Å; Q79-L95 PolarHBondContact O-N 3.38Å
80A94.1Very high89.7Confident0 Ų057.9 Ų57.90%032%0.324CS..EExtended strand (participates in β ladder)trans-143.6159178.400000111V63 V65 V92 D93 L94V63-A80 HydrophobicContact CG2-CB 4.33Å; V63-A80 WeakPolarHBondContact CG2-O 3.4Å; V63-A80 PolarHBondContact N-O 3.16Å; V63-A80 PolarHBondContact O-N 3.06Å; V65-A80 HydrophobicContact CG1-CB 3.97Å; V65-A80 HydrophobicContact CG2-CB 3.92Å; A80-V92 HydrophobicContact CB-CB 3.81Å; A80-V92 HydrophobicContact CB-CG1 4.39Å; A80-V92 HydrophobicContact CB-CG2 4.01Å; A80-D93 CarbonylContact C-O 3.56Å; A80-D93 VanDerWaalsContact CA-O 3.25Å; A80-D93 WeakPolarHBondContact CA-O 3.09Å; A80-D93 WeakPolarHBondContact CB-O 3.39Å; A80-L94 HydrophobicContact CB-CG 4.4Å
81R95.1Very high90.2Very high92 Ų9258.1 Ų58.135%0.34732%0.324SS..EExtended strand (participates in β ladder)trans-107.8127.5176-172.4177.6-55.3-72.8-2.1110.3K60 D61 Q83 V92 D93K60-R81 PolarHBondContact O-NH1 2.82Å; D61-R81 WeakPolarHBondContact O-CA 3.34Å; R81-Q83 PolarHBondContact O-N 2.84Å; R81-V92 CarbonylContact O-C 3.56Å; R81-V92 VanDerWaalsContact O-CA 3.31Å; R81-V92 WeakPolarHBondContact O-CA 3.33Å; R81-D93 PolarHBondContact N-O 3.25Å; R81-D93 PolarHBondContact O-N 2.99Å
82V95.1Very high90.8Very high0 Ų048.8 Ų48.80%028%0.28CS..EExtended strand (participates in β ladder)trans-69.7128.3179.7179.90000110.3K58 K60 D61 V63 T85 V90 V92K58-V82 WeakPolarHBondContact O-CB 3.28Å; K58-V82 WeakPolarHBondContact O-CG1 3.4Å; K60-V82 WeakPolarHBondContact CA-O 3.27Å; K60-V82 PolarHBondContact N-O 3.24Å; D61-V82 HydrophobicContact CB-CB 4.46Å; D61-V82 HydrophobicContact CB-CG2 4.23Å; D61-V82 PolarHBondContact O-N 2.92Å; V63-V82 HydrophobicContact CB-CG2 4.44Å; V63-V82 HydrophobicContact CG1-CG2 3.73Å; V63-V82 HydrophobicContact CG2-CG2 3.78Å; V82-T85 HydrophobicContact CG1-CG2 4.29Å; V82-V90 HydrophobicContact CB-CG1 4.42Å; V82-V90 HydrophobicContact CG1-CG1 3.82Å; V82-V90 HydrophobicContact CG2-CG1 3.97Å; V82-V92 HydrophobicContact CG2-CG1 4.44Å
83Q93.4Very high91.3Very high71 Ų7145.6 Ų45.633%0.33225%0.254SS..EExtended strand (participates in β ladder)trans-103.4-24.1174.7-72.2-67.9-30.600112.3E59 R81 V91 D93E59-Q83 WeakPolarHBondContact CG-O 3.46Å; R81-Q83 PolarHBondContact O-N 2.84Å; Q83-V91 HydrophobicContact CB-CB 4.36Å; Q83-V91 HydrophobicContact CB-CG1 4.14Å; Q83-V91 PolarHBondContact N-O 3.17Å; Q83-D93 VanDerWaalsContact CD-OD2 3.31Å; Q83-D93 WeakPolarHBondContact CG-OD1 3.36Å; Q83-D93 WeakPolarHBondContact CG-OD2 3.44Å; Q83-D93 PolarHBondContact NE2-OD2 3.35Å
84G90.9Very high91.7Very high12 Ų1245.7 Ų45.712%0.12426%0.255CS..EExtended strand (participates in β ladder)trans175.4163.8177.400000111.8V91G84-V91 PolarHBondContact N-O 3Å; G84-V91 PolarHBondContact O-N 2.82Å
85T90.1Very high91.9Very high80 Ų8047.7 Ų47.749%0.49126%0.262SS..EExtended strand (participates in β ladder)trans-128.3132.7178.153.40000109.8V82 F89 V90V82-T85 HydrophobicContact CG1-CG2 4.29Å; T85-F89 WeakPolarHBondContact CA-O 3.25Å; T85-V90 HydrophobicContact CG2-CG1 4.09Å; T85-V90 HydrophobicContact CG2-CG2 4.19Å
86K88.3Confident91.8Very high178 Ų17846.3 Ų46.377%0.77426%0.256SS*.EExtended strand (participates in β ladder)trans-152.5122.8178.3-169175.6-179.5-1800111G88 F89K86-G88 VanDerWaalsContact C-N 3.34Å; K86-G88 PolarHBondContact O-N 2.86Å; K86-F89 PolarHBondContact N-O 3.16Å; K86-F89 PolarHBondContact O-N 2.82Å
87G82.1Confident91.3Very high75 Ų7552.2 Ų52.277%0.77330%0.295SS*.THydrogen-bonded Turntrans58.836.3167.600000115.5F89G87-F89 VanDerWaalsContact C-N 3.33Å; G87-F89 WeakPolarHBondContact O-CD2 3.48Å
88G88.7Confident90.6Very high43 Ų4355.3 Ų55.344%0.44333%0.334SS..THydrogen-bonded Turntrans86.50.1-177.800000114.7K86 V106K86-G88 VanDerWaalsContact C-N 3.34Å; K86-G88 PolarHBondContact O-N 2.86Å; G88-V106 WeakPolarHBondContact O-CB 3.32Å; G88-V106 WeakPolarHBondContact O-CG1 3.49Å; G88-V106 PolarHBondContact O-N 3.25Å
89F92Very high89.9Confident102 Ų10257.1 Ų57.145%0.44735%0.346SS..EExtended strand (participates in β ladder)trans-108.8145.5173.3-59.9-85.8000110.9T85 K86 G87 I103 I104 N105T85-F89 WeakPolarHBondContact CA-O 3.25Å; K86-F89 PolarHBondContact N-O 3.16Å; K86-F89 PolarHBondContact O-N 2.82Å; G87-F89 VanDerWaalsContact C-N 3.33Å; G87-F89 WeakPolarHBondContact O-CD2 3.48Å; F89-I103 HydrophobicContact CB-CG2 3.75Å; F89-I103 HydrophobicContact CD1-CG2 4.05Å; F89-I103 HydrophobicContact CG-CG2 4.12Å; F89-I104 CarbonylContact C-O 3.52Å; F89-I104 WeakPolarHBondContact CA-O 3.27Å; F89-N105 HydrophobicContact CE1-CB 4.47Å
90V91.8Very high89.2Confident1 Ų158 Ų581%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-114.1120.6174.9-170.20000107.3Y57 V82 T85 V92 I104 V106 V109Y57-V90 HydrophobicContact CD2-CG2 4.2Å; V82-V90 HydrophobicContact CB-CG1 4.42Å; V82-V90 HydrophobicContact CG1-CG1 3.82Å; V82-V90 HydrophobicContact CG2-CG1 3.97Å; T85-V90 HydrophobicContact CG2-CG1 4.09Å; T85-V90 HydrophobicContact CG2-CG2 4.19Å; V90-V92 HydrophobicContact CB-CG1 4.26Å; V90-V92 HydrophobicContact CG1-CG1 3.59Å; V90-I104 PolarHBondContact N-O 3.42Å; V90-I104 PolarHBondContact O-N 2.89Å; V90-V106 HydrophobicContact CG2-CB 4.2Å; V90-V106 HydrophobicContact CG2-CG2 4.13Å; V90-V109 HydrophobicContact CB-CG2 4.17Å; V90-V109 HydrophobicContact CG2-CG2 4.01Å
91V93.6Very high88.9Confident47 Ų4764 Ų6429%0.28539%0.387SS..EExtended strand (participates in β ladder)trans-82.4122.8170.8-174.20000106.9Q83 G84 D102 I103Q83-V91 HydrophobicContact CB-CB 4.36Å; Q83-V91 HydrophobicContact CB-CG1 4.14Å; Q83-V91 PolarHBondContact N-O 3.17Å; G84-V91 PolarHBondContact N-O 3Å; G84-V91 PolarHBondContact O-N 2.82Å; V91-D102 WeakPolarHBondContact CA-O 3.5Å; V91-I103 HydrophobicContact CG2-CG1 4.36Å
92V94Very high88.6Confident0 Ų063.2 Ų63.20%039%0.39CS..EExtended strand (participates in β ladder)trans-129.7149.4-176.2-610000111.5V63 V65 A80 R81 V82 V90 L94 K101 D102 I104V63-V92 HydrophobicContact CG2-CG1 4.32Å; V65-V92 HydrophobicContact CG1-CG1 4.21Å; V65-V92 HydrophobicContact CG1-CG2 4.23Å; A80-V92 HydrophobicContact CB-CB 3.81Å; A80-V92 HydrophobicContact CB-CG1 4.39Å; A80-V92 HydrophobicContact CB-CG2 4.01Å; R81-V92 CarbonylContact O-C 3.56Å; R81-V92 VanDerWaalsContact O-CA 3.31Å; R81-V92 WeakPolarHBondContact O-CA 3.33Å; V82-V92 HydrophobicContact CG2-CG1 4.44Å; V90-V92 HydrophobicContact CB-CG1 4.26Å; V90-V92 HydrophobicContact CG1-CG1 3.59Å; V92-L94 HydrophobicContact CG2-CD1 3.96Å; V92-K101 WeakPolarHBondContact O-CA 3.27Å; V92-D102 PolarHBondContact N-O 2.9Å; V92-D102 PolarHBondContact O-N 2.94Å; V92-I104 HydrophobicContact CG2-CD1 3.61Å; V92-I104 HydrophobicContact CG2-CG1 4.07Å
93D93.3Very high88.5Confident42 Ų4268.5 Ų68.523%0.22542%0.417CS..EExtended strand (participates in β ladder)trans-100.3111.2164.7-65.7-13.4000107.7A80 R81 Q83 K101A80-D93 CarbonylContact C-O 3.56Å; A80-D93 VanDerWaalsContact CA-O 3.25Å; A80-D93 WeakPolarHBondContact CA-O 3.09Å; A80-D93 WeakPolarHBondContact CB-O 3.39Å; R81-D93 PolarHBondContact N-O 3.25Å; R81-D93 PolarHBondContact O-N 2.99Å; Q83-D93 VanDerWaalsContact CD-OD2 3.31Å; Q83-D93 WeakPolarHBondContact CG-OD1 3.36Å; Q83-D93 WeakPolarHBondContact CG-OD2 3.44Å; Q83-D93 PolarHBondContact NE2-OD2 3.35Å; D93-K101 WeakPolarHBondContact OD1-CD 3.32Å; D93-K101 VanDerWaalsContact OD1-CE 3.23Å; D93-K101 WeakPolarHBondContact OD1-CE 3.32Å; D93-K101 WeakPolarHBondContact OD1-CG 3.28Å
94L91.9Very high88.4Confident15 Ų1565.7 Ų65.78%0.07940%0.404CS..EExtended strand (participates in β ladder)trans-65.2138175.7-81.281.2000109.6V65 A67 P69 A80 V92 V96 T99 D102V65-L94 HydrophobicContact CG2-CG 4.28Å; A67-L94 HydrophobicContact CB-CD2 4.41Å; P69-L94 HydrophobicContact CB-CD2 4.28Å; P69-L94 HydrophobicContact CG-CD2 4.04Å; A80-L94 HydrophobicContact CB-CG 4.4Å; V92-L94 HydrophobicContact CG2-CD1 3.96Å; L94-V96 PolarHBondContact O-N 2.63Å; L94-T99 WeakPolarHBondContact CB-OG1 3.19Å; L94-T99 PolarHBondContact O-OG1 3.45Å; L94-D102 HydrophobicContact CD1-CB 3.84Å
95L90.5Very high88.5Confident87 Ų8768.2 Ų68.246%0.45542%0.415SS..SBendtrans-84.725.3178.1-66.5168.1000112.3L62 Q79L62-L95 HydrophobicContact CD2-CD1 3.65Å; Q79-L95 HydrophobicContact CB-CD1 3.97Å; Q79-L95 WeakPolarHBondContact O-CB 3.48Å; Q79-L95 PolarHBondContact O-N 3.38Å
96V87.4Confident88.4Confident18 Ų1866.1 Ų66.111%0.10940%0.402CS..SBendtrans-99.3128.3178.4-177.30000109P69 Y78 L94 G98 T99P69-V96 HydrophobicContact CB-CB 4.37Å; P69-V96 HydrophobicContact CB-CG1 4.16Å; P69-V96 HydrophobicContact CB-CG2 4.39Å; P69-V96 HydrophobicContact CG-CG2 4.09Å; Y78-V96 HydrophobicContact CD1-CG2 3.55Å; Y78-V96 HydrophobicContact CE1-CG2 4.19Å; Y78-V96 HydrophobicContact CG-CG2 4.3Å; L94-V96 PolarHBondContact O-N 2.63Å; V96-G98 PolarHBondContact O-N 2.95Å; V96-T99 HydrophobicContact CB-CG2 4.1Å; V96-T99 HydrophobicContact CG1-CG2 4.37Å; V96-T99 PolarHBondContact O-N 3.45Å; V96-T99 PolarHBondContact O-OG1 2.99Å
97P82.4Confident88.5Confident125 Ų12562.3 Ų62.381%0.81239%0.39SS*.THydrogen-bonded Turntrans-53.6131.4179.1-25.734.2000112.4
98G80.5Confident89Confident90 Ų9061 Ų6193%0.92837%0.368SS*.THydrogen-bonded Turntrans87.4-3177.500000115.6V96V96-G98 PolarHBondContact O-N 2.95Å
99T79.8Confident89.2Confident40 Ų4059.5 Ų59.525%0.24535%0.35CS..  trans-88.8147.1173.757.20000112.7P69 L94 V96P69-T99 HydrophobicContact CB-CG2 3.71Å; L94-T99 WeakPolarHBondContact CB-OG1 3.19Å; L94-T99 PolarHBondContact O-OG1 3.45Å; V96-T99 HydrophobicContact CB-CG2 4.1Å; V96-T99 HydrophobicContact CG1-CG2 4.37Å; V96-T99 PolarHBondContact O-N 3.45Å; V96-T99 PolarHBondContact O-OG1 2.99Å
100S77.3Confident89.2Confident101 Ų10155.9 Ų55.971%0.70633%0.333SS*.  trans-98.8-175.6172.459.50000111.1
101K88.3Confident89.2Confident125 Ų12559 Ų5954%0.54335%0.354SS..EExtended strand (participates in β ladder)trans-58142.7171.9-45.5-149.5164.7-179.80110.5V92 D93V92-K101 WeakPolarHBondContact O-CA 3.27Å; D93-K101 WeakPolarHBondContact OD1-CD 3.32Å; D93-K101 VanDerWaalsContact OD1-CE 3.23Å; D93-K101 WeakPolarHBondContact OD1-CE 3.32Å; D93-K101 WeakPolarHBondContact OD1-CG 3.28Å
102D89.8Confident89.1Confident76 Ų7659.2 Ų59.241%0.40636%0.355SS..EExtended strand (participates in β ladder)trans-132.5158.4174.5-159.64.1000111V91 V92 L94 I104V91-D102 WeakPolarHBondContact CA-O 3.5Å; V92-D102 PolarHBondContact N-O 2.9Å; V92-D102 PolarHBondContact O-N 2.94Å; L94-D102 HydrophobicContact CD1-CB 3.84Å; D102-I104 HydrophobicContact CB-CG1 4.44Å
103I92.4Very high89Confident111 Ų11159.7 Ų59.757%0.56936%0.359SS*.EExtended strand (participates in β ladder)trans-114.7108.2179.9-55.5-179.8000108F89 V91F89-I103 HydrophobicContact CB-CG2 3.75Å; F89-I103 HydrophobicContact CD1-CG2 4.05Å; F89-I103 HydrophobicContact CG-CG2 4.12Å; V91-I103 HydrophobicContact CG2-CG1 4.36Å
104I91.7Very high88.9Confident11 Ų1163 Ų636%0.05639%0.385CS..EExtended strand (participates in β ladder)trans-112.9140.2-172-58.7-177.1000109.5V65 A67 F89 V90 V92 D102 V106 C108 V109V65-I104 HydrophobicContact CB-CD1 3.48Å; V65-I104 VanDerWaalsContact CB-CD1 3.48Å; V65-I104 HydrophobicContact CG1-CD1 3.9Å; V65-I104 HydrophobicContact CG2-CD1 3.51Å; A67-I104 HydrophobicContact CB-CD1 4.16Å; F89-I104 CarbonylContact C-O 3.52Å; F89-I104 WeakPolarHBondContact CA-O 3.27Å; V90-I104 PolarHBondContact N-O 3.42Å; V90-I104 PolarHBondContact O-N 2.89Å; V92-I104 HydrophobicContact CG2-CD1 3.61Å; V92-I104 HydrophobicContact CG2-CG1 4.07Å; D102-I104 HydrophobicContact CB-CG1 4.44Å; I104-V106 PolarHBondContact O-N 2.95Å; I104-C108 HydrophobicContact CG2-CB 3.66Å; I104-V109 HydrophobicContact CB-CG2 4.37Å; I104-V109 HydrophobicContact CG2-CG2 3.9Å
105N92.1Very high88.8Confident66 Ų6664.9 Ų64.935%0.35340%0.395SS..EExtended strand (participates in β ladder)trans-63.5135.2172-174.2-39.1000109.2F89 D107 C108F89-N105 HydrophobicContact CE1-CB 4.47Å; N105-D107 PolarHBondContact O-N 3.25Å; N105-D107 WeakPolarHBondContact OD1-CB 3.49Å; N105-D107 PolarHBondContact OD1-N 2.99Å; N105-C108 WeakPolarHBondContact O-CA 3.49Å; N105-C108 WeakPolarHBondContact O-CB 3.24Å; N105-C108 PolarHBondContact O-N 3.26Å
106V89.5Confident88.8Confident36 Ų3665.7 Ų65.722%0.21841%0.406CS..G310 helixtrans-52.8-27.2179.173.50000113.4Y57 G88 V90 I104 C108 V109Y57-V106 HydrophobicContact CD2-CG2 4.27Å; Y57-V106 HydrophobicContact CE2-CG2 3.96Å; G88-V106 WeakPolarHBondContact O-CB 3.32Å; G88-V106 WeakPolarHBondContact O-CG1 3.49Å; G88-V106 PolarHBondContact O-N 3.25Å; V90-V106 HydrophobicContact CG2-CB 4.2Å; V90-V106 HydrophobicContact CG2-CG2 4.13Å; I104-V106 PolarHBondContact O-N 2.95Å; V106-C108 PolarHBondContact O-N 2.89Å; V106-V109 PolarHBondContact O-N 3.23Å; V106-V109 VanDerWaalsContact O-N 3.12Å
107D90.1Very high89Confident98 Ų9867.5 Ų67.552%0.52442%0.419SS..G310 helixtrans-67.8-20.6176.4-65.4-21000113.4K54 N105K54-D107 WeakPolarHBondContact CE-OD1 3.42Å; K54-D107 IonicContact NZ-OD1 2.77Å; K54-D107 PolarHBondContact NZ-OD1 3.11Å; N105-D107 PolarHBondContact O-N 3.25Å; N105-D107 WeakPolarHBondContact OD1-CB 3.49Å; N105-D107 PolarHBondContact OD1-N 2.99Å
108C92.2Very high89.5Confident47 Ų4762 Ų6232%0.31838%0.382SS..G310 helixtrans-99.513.8175.2-59.90000112.1V65 Y66 W77 I104 N105 V106V65-C108 CarbonylContact C-O 3.6Å; V65-C108 WeakPolarHBondContact CA-O 3.33Å; Y66-C108 PolarHBondContact N-O 3.21Å; W77-C108 WeakPolarHBondContact CZ3-O 3.34Å; I104-C108 HydrophobicContact CG2-CB 3.66Å; N105-C108 WeakPolarHBondContact O-CA 3.49Å; N105-C108 WeakPolarHBondContact O-CB 3.24Å; N105-C108 PolarHBondContact O-N 3.26Å; V106-C108 PolarHBondContact O-N 2.89Å
109V92.2Very high89.9Confident11 Ų1164.3 Ų64.37%0.06737%0.369CS..EExtended strand (participates in β ladder)trans-117.1138.8177.7-171.90000109Y57 V63 V65 V90 I104 V106Y57-V109 HydrophobicContact CD2-CG1 4.23Å; Y57-V109 HydrophobicContact CE1-CG1 4.09Å; Y57-V109 HydrophobicContact CE2-CB 3.96Å; Y57-V109 HydrophobicContact CE2-CG1 3.64Å; Y57-V109 VanDerWaalsContact OH-C 3.3Å; Y57-V109 PolarHBondContact OH-O 3.39Å; Y57-V109 VanDerWaalsContact OH-O 3.1Å; V63-V109 HydrophobicContact CB-CG1 3.79Å; V63-V109 HydrophobicContact CG1-CG1 4.07Å; V63-V109 HydrophobicContact CG2-CG1 3.87Å; V65-V109 HydrophobicContact CG1-CG1 4.18Å; V65-V109 HydrophobicContact CG1-CG2 4.07Å; V90-V109 HydrophobicContact CB-CG2 4.17Å; V90-V109 HydrophobicContact CG2-CG2 4.01Å; I104-V109 HydrophobicContact CB-CG2 4.37Å; I104-V109 HydrophobicContact CG2-CG2 3.9Å; V106-V109 PolarHBondContact O-N 3.23Å; V106-V109 VanDerWaalsContact O-N 3.12Å
110R93Very high90.2Very high26 Ų2665.1 Ų65.110%0.09838%0.38CS..EExtended strand (participates in β ladder)trans-139.9158.4174.469.4-176.8-168.3-175.31.1111.1E4 R45 Y57 V63 E64 W77E4-R110 IonicContact OE1-CZ 3.9Å; E4-R110 IonicContact OE1-NH1 3.81Å; E4-R110 PolarHBondContact OE1-NH1 3.02Å; E4-R110 IonicContact OE1-NH2 2.81Å; E4-R110 PolarHBondContact OE1-NH2 3.29Å; E4-R110 IonicContact OE2-CZ 3.74Å; E4-R110 IonicContact OE2-NH2 3.27Å; E4-R110 PolarHBondContact OE2-NH2 2.84Å; R45-R110 VanDerWaalsContact NH2-NH2 3.13Å; Y57-R110 WeakPolarHBondContact OH-CA 3.46Å; Y57-R110 PolarHBondContact OH-N 3.17Å; V63-R110 WeakPolarHBondContact CB-O 3.42Å; E64-R110 HydrophobicContact CB-CG 3.86Å; E64-R110 PolarHBondContact N-O 2.86Å; E64-R110 PolarHBondContact O-N 2.87Å; E64-R110 IonicContact OE2-CZ 2.86Å; E64-R110 VanDerWaalsContact OE2-CZ 3.25Å; E64-R110 IonicContact OE2-NE 2.74Å; E64-R110 PolarHBondContact OE2-NE 2.89Å; E64-R110 IonicContact OE2-NH2 3.91Å; E64-R110 PolarHBondContact OE2-NH2 2.85Å; W77-R110 HydrophobicContact CD2-CG 4.46Å; W77-R110 VanDerWaalsContact CD2-CZ 3.44Å; W77-R110 HydrophobicContact CE3-CG 3.76Å; W77-R110 VanDerWaalsContact CG-CZ 3.43Å; W77-R110 HydrophobicContact CH2-CB 4.37Å; W77-R110 HydrophobicContact CH2-CG 4.06Å; W77-R110 HydrophobicContact CZ3-CB 4.12Å; W77-R110 HydrophobicContact CZ3-CG 3.53Å
111P91.2Very high90.7Very high67 Ų6763.3 Ų63.344%0.43538%0.376SS..EExtended strand (participates in β ladder)trans-55.8150.9167.9-22.735000111.1P55 C113P55-P111 HydrophobicContact CB-CG 4.44Å; P55-P111 HydrophobicContact CG-CG 3.81Å; P111-C113 PolarHBondContact O-N 3.49Å
112V92.2Very high90.7Very high51 Ų5159.1 Ų59.131%0.30936%0.363SS..PPolyproline II helixtrans-56.7127.9175.4178.30000109.6L62 E64 S114L62-V112 HydrophobicContact CB-CG2 4Å; L62-V112 WeakPolarHBondContact O-CG2 3.34Å; E64-V112 HydrophobicContact CG-CG2 4.47Å; V112-S114 PolarHBondContact O-N 3.29Å
113C91.5Very high90.8Very high11 Ų1156.5 Ų56.57%0.07435%0.348CS..PPolyproline II helixtrans-66.3120.5-179.9-178.50000109.6P48 E64 P111 N115P48-C113 HydrophobicContact CB-CB 4.41Å; P48-C113 HydrophobicContact CG-CB 4.43Å; E64-C113 PolarHBondContact OE1-N 3.35Å; P111-C113 PolarHBondContact O-N 3.49Å; C113-N115 VanDerWaalsContact C-N 3.34Å
114S90.1Very high90.8Very high112 Ų11255.6 Ų55.678%0.78334%0.34SS*.  trans-89.30.6179.658.60000113.5V112V112-S114 PolarHBondContact O-N 3.29Å
115N91.2Very high90.8Very high53 Ų5358.4 Ų58.428%0.28336%0.361SS..PPolyproline II helixtrans-69.5131.5-179.7-65.8-23.2000109.9L46 P47 C113L46-N115 PolarHBondContact O-ND2 2.9Å; P47-N115 PolarHBondContact O-ND2 3.18Å; C113-N115 VanDerWaalsContact C-N 3.34Å
116P90.5Very high90.8Very high105 Ų10555.8 Ų55.868%0.68235%0.348SS*.PPolyproline II helixtrans-66.4162.8174.929.9-35000110.9
117C91.1Very high91Very high56 Ų5662.6 Ų62.638%0.37837%0.369SS..BIsolated β-bridgetrans-60.9152.1167.3-61.10000110.3D42 L44D42-C117 WeakPolarHBondContact O-CB 3.29Å; D42-C117 PolarHBondContact O-SG 3.01Å; L44-C117 CarbonylContact O-C 3.58Å; L44-C117 WeakPolarHBondContact O-CA 3.46Å
118L92Very high91.1Very high10 Ų1058.5 Ų58.55%0.05235%0.347CS..PPolyproline II helixtrans-73.2152.6177.8-62.1-179.9000110.4V3 F41 D42 L44 L46 F123V3-L118 HydrophobicContact CG1-CD1 4.22Å; F41-L118 CarbonylContact C-O 3.54Å; F41-L118 HydrophobicContact CB-CB 4.41Å; F41-L118 VanDerWaalsContact CB-O 3.3Å; F41-L118 WeakPolarHBondContact CB-O 3.43Å; F41-L118 PolarHBondContact O-N 3.34Å; D42-L118 PolarHBondContact N-O 2.96Å; L44-L118 HydrophobicContact CB-CB 4.34Å; L44-L118 HydrophobicContact CB-CD1 3.82Å; L44-L118 HydrophobicContact CB-CG 4.21Å; L44-L118 PolarHBondContact O-N 2.81Å; L46-L118 HydrophobicContact CD2-CD1 4.36Å; L46-L118 HydrophobicContact CD2-CD2 4.08Å; L46-L118 HydrophobicContact CG-CD2 4.01Å; L118-F123 HydrophobicContact CB-CE2 4.31Å; L118-F123 HydrophobicContact CD1-CE2 4.13Å; L118-F123 HydrophobicContact CD1-CZ 3.76Å
119E89.6Confident91.2Very high138 Ų13859.9 Ų59.965%0.64536%0.357SS*.  trans-124.7167.1171.6-63.3179.9177.800108.7G121 S122E119-G121 PolarHBondContact O-N 2.98Å; E119-S122 PolarHBondContact N-OG 3.32Å; E119-S122 WeakPolarHBondContact O-CB 3.34Å; E119-S122 PolarHBondContact O-N 3.47Å; E119-S122 PolarHBondContact O-OG 3.02Å
120A86.3Confident91.4Very high57 Ų5759.4 Ų59.447%0.47135%0.354SS..G310 helixtrans-55.3-36.7175.400000111.7F41 S122 F123F41-A120 HydrophobicContact CD2-CB 3.95Å; F41-A120 HydrophobicContact CE2-CB 3.72Å; A120-S122 VanDerWaalsContact C-N 3.25Å; A120-S122 PolarHBondContact O-N 3.4Å; A120-F123 PolarHBondContact O-N 2.81Å
121G87.8Confident91.4Very high62 Ų6260.2 Ų60.264%0.63936%0.363SS*.G310 helixtrans-71.8-11.7176.500000115E119 F123E119-G121 PolarHBondContact O-N 2.98Å; G121-F123 VanDerWaalsContact C-N 3.26Å; G121-F123 PolarHBondContact O-N 3.04Å
122S89.1Confident91.5Very high38 Ų3864.1 Ų64.127%0.26638%0.376SS..G310 helixtrans-70.1-25175.7-54.70000112.1E119 A120 C170E119-S122 PolarHBondContact N-OG 3.32Å; E119-S122 WeakPolarHBondContact O-CB 3.34Å; E119-S122 PolarHBondContact O-N 3.47Å; E119-S122 PolarHBondContact O-OG 3.02Å; A120-S122 VanDerWaalsContact C-N 3.25Å; A120-S122 PolarHBondContact O-N 3.4Å; S122-C170 VanDerWaalsContact O-CA 3.28Å; S122-C170 WeakPolarHBondContact O-CA 3.29Å
123F90.7Very high91.4Very high20 Ų2067.7 Ų67.79%0.08839%0.389CS..  trans-91.7111.1179-62-94.4000109.7M1 V20 F41 L118 A120 G121 T168M1-F123 HydrophobicContact CE-CD1 3.93Å; M1-F123 HydrophobicContact CE-CE1 3.48Å; M1-F123 VanDerWaalsContact CE-CE1 3.48Å; V20-F123 HydrophobicContact CG1-CB 4.31Å; V20-F123 HydrophobicContact CG1-CD1 4.14Å; V20-F123 HydrophobicContact CG1-CD2 4.29Å; V20-F123 HydrophobicContact CG1-CG 3.99Å; V20-F123 HydrophobicContact CG2-CD1 3.65Å; V20-F123 HydrophobicContact CG2-CE1 3.69Å; V20-F123 HydrophobicContact CG2-CG 4.35Å; V20-F123 HydrophobicContact CG2-CZ 4.46Å; F41-F123 HydrophobicContact CD1-CD2 4.17Å; F41-F123 AromaticContact CD1-CE2 3.4Å; F41-F123 HydrophobicContact CD1-CE2 3.4Å; F41-F123 VanDerWaalsContact CD1-CE2 3.4Å; F41-F123 HydrophobicContact CD1-CZ 4.11Å; F41-F123 AromaticContact CE1-CD2 3.89Å; F41-F123 HydrophobicContact CE1-CD2 3.89Å; F41-F123 AromaticContact CE1-CE2 3.44Å; F41-F123 HydrophobicContact CE1-CE2 3.44Å; F41-F123 VanDerWaalsContact CE1-CE2 3.44Å; F41-F123 HydrophobicContact CE1-CZ 4.08Å; F41-F123 HydrophobicContact CG-CE2 4.37Å; F41-F123 HydrophobicContact CZ-CE2 4.44Å; L118-F123 HydrophobicContact CB-CE2 4.31Å; L118-F123 HydrophobicContact CD1-CE2 4.13Å; L118-F123 HydrophobicContact CD1-CZ 3.76Å; A120-F123 PolarHBondContact O-N 2.81Å; G121-F123 VanDerWaalsContact C-N 3.26Å; G121-F123 PolarHBondContact O-N 3.04Å; F123-T168 HydrophobicContact CB-CG2 4Å; F123-T168 HydrophobicContact CD1-CG2 4.18Å
124K91.8Very high91.5Very high92 Ų9267.3 Ų67.340%0.439%0.386SS..EExtended strand (participates in β ladder)trans-95.8143.5171.9-63.7-174.7-170-174.60108.7T168 S169 E172 I175K124-T168 WeakPolarHBondContact O-CA 3.48Å; K124-S169 PolarHBondContact N-O 2.86Å; K124-S169 PolarHBondContact O-N 2.88Å; K124-E172 VanDerWaalsContact NZ-CD 3.26Å; K124-E172 IonicContact NZ-OE1 2.6Å; K124-E172 PolarHBondContact NZ-OE1 2.94Å; K124-I175 HydrophobicContact CB-CG1 4.04Å; K124-I175 WeakPolarHBondContact O-CD1 3.43Å
125S91.8Very high91.7Very high71 Ų7166 Ų6650%0.49736%0.364SS..EExtended strand (participates in β ladder)trans-126.2143.7177.5-56.70000111.3I167 T168S125-I167 CarbonylContact C-O 3.58Å; S125-I167 WeakPolarHBondContact CA-O 3.49Å; S125-T168 PolarHBondContact OG-OG1 3Å
126C92Very high91.7Very high11 Ų1171.8 Ų71.87%0.07439%0.389CS..EExtended strand (participates in β ladder)trans-118155.6162.365.20000110.1I167 N179C126-I167 PolarHBondContact N-O 3.46Å; C126-I167 PolarHBondContact O-N 3.27Å; C126-N179 WeakPolarHBondContact CB-OD1 3.36Å; C126-N179 PolarHBondContact SG-OD1 3.32Å; C126-N179 VanDerWaalsContact SG-OD1 3.4Å
127R93.8Very high91.8Very high179 Ų17969.1 Ų69.168%0.67537%0.366SS*.EExtended strand (participates in β ladder)trans-124.3135.9-176.8-63.2-176-176.8170.20.4109.2L165 I166R127-L165 WeakPolarHBondContact CA-O 3.24Å; R127-I166 HydrophobicContact CG-CG1 4.48Å
128I93.8Very high91.9Very high12 Ų1266.5 Ų66.56%0.06235%0.348CS..EExtended strand (participates in β ladder)trans-117.2116.2172.6-53.1178.1000106.6I130 L165 I167 A182 Y185 L186I128-I130 HydrophobicContact CG2-CD1 4.32Å; I128-I130 PolarHBondContact O-N 2.94Å; I128-L165 HydrophobicContact CB-CB 4.27Å; I128-L165 PolarHBondContact N-O 3.42Å; I128-L165 PolarHBondContact O-N 2.96Å; I128-I167 HydrophobicContact CD1-CD1 3.78Å; I128-I167 HydrophobicContact CG1-CD1 4.39Å; I128-A182 HydrophobicContact CD1-CB 3.64Å; I128-A182 HydrophobicContact CG1-CB 3.93Å; I128-Y185 HydrophobicContact CD1-CD1 4.3Å; I128-L186 HydrophobicContact CG2-CB 4.41Å; I128-L186 HydrophobicContact CG2-CD2 4.41Å
129S94.2Very high92Very high75 Ų7569.1 Ų69.152%0.52437%0.371SS..EExtended strand (participates in β ladder)trans-75.8121179.3-160.60000110D164S129-D164 WeakPolarHBondContact CA-OD1 3.45Å; S129-D164 PolarHBondContact OG-OD1 2.93Å
130I95.2Very high92.1Very high1 Ų168.6 Ų68.61%0.00536%0.363CS..PPolyproline II helixtrans-90.3122.2-176.3-56.9-59.1000109.8I128 I134 R135 S138 Y158 G163 L165 L186I128-I130 HydrophobicContact CG2-CD1 4.32Å; I128-I130 PolarHBondContact O-N 2.94Å; I130-I134 HydrophobicContact CG2-CD1 3.85Å; I130-I134 HydrophobicContact CG2-CG1 3.6Å; I130-R135 HydrophobicContact CG2-CG 4.09Å; I130-R135 PolarHBondContact O-NE 3.15Å; I130-R135 VanDerWaalsContact O-NE 3.14Å; I130-S138 WeakPolarHBondContact CG2-OG 3.42Å; I130-Y158 HydrophobicContact CB-CE2 4.25Å; I130-Y158 HydrophobicContact CG1-CD2 4.36Å; I130-Y158 HydrophobicContact CG1-CE2 4.05Å; I130-G163 VanDerWaalsContact CB-O 3.23Å; I130-G163 WeakPolarHBondContact CB-O 3.47Å; I130-G163 PolarHBondContact N-O 3.41Å; I130-L165 HydrophobicContact CD1-CB 4.03Å; I130-L165 HydrophobicContact CG1-CB 4.08Å; I130-L186 HydrophobicContact CD1-CD1 4.08Å
131P94Very high92Very high44 Ų4472.5 Ų72.529%0.28638%0.384SS..PPolyproline II helixtrans-53.6142.4173.9-24.932.8000111.8E133 I134 R135 L186P131-E133 WeakPolarHBondContact CB-OE2 3.33Å; P131-E133 PolarHBondContact O-N 3.28Å; P131-E133 VanDerWaalsContact O-N 3.13Å; P131-I134 HydrophobicContact CB-CG1 4.34Å; P131-I134 WeakPolarHBondContact O-CG1 3.24Å; P131-I134 PolarHBondContact O-N 3.33Å; P131-I134 VanDerWaalsContact O-N 3.14Å; P131-R135 WeakPolarHBondContact O-CG 3.38Å; P131-R135 PolarHBondContact O-N 3.48Å; P131-L186 HydrophobicContact CG-CD1 4.33Å
132Q92.5Very high92.2Very high149 Ų14973.6 Ų73.670%0.69638%0.375SS*.G310 helixtrans-56.9-34.1-172.4-173.6174.3-5.900112.6I134 R135Q132-I134 PolarHBondContact O-N 3.18Å; Q132-R135 PolarHBondContact O-N 2.93Å
133E91.1Very high92.4Very high126 Ų12672.3 Ų72.359%0.58937%0.367SS*.G310 helixtrans-64.6-23.8-176.1-56.878.4-171.500113.3P131P131-E133 WeakPolarHBondContact CB-OE2 3.33Å; P131-E133 PolarHBondContact O-N 3.28Å; P131-E133 VanDerWaalsContact O-N 3.13Å
134I93.8Very high92.5Very high2 Ų272.1 Ų72.11%0.0137%0.366CS..G310 helixtrans-117.18-176.165.7155.8000113.4I130 P131 Q132 E136 Y137 S138 L186 L189 V193I130-I134 HydrophobicContact CG2-CD1 3.85Å; I130-I134 HydrophobicContact CG2-CG1 3.6Å; P131-I134 HydrophobicContact CB-CG1 4.34Å; P131-I134 WeakPolarHBondContact O-CG1 3.24Å; P131-I134 PolarHBondContact O-N 3.33Å; P131-I134 VanDerWaalsContact O-N 3.14Å; Q132-I134 PolarHBondContact O-N 3.18Å; I134-E136 VanDerWaalsContact C-N 3.35Å; I134-E136 PolarHBondContact O-N 2.78Å; I134-Y137 PolarHBondContact O-N 3.22Å; I134-S138 PolarHBondContact O-N 3.5Å; I134-S138 PolarHBondContact O-OG 3.39Å; I134-L186 HydrophobicContact CD1-CD1 4.25Å; I134-L189 HydrophobicContact CD1-CD2 3.8Å; I134-L189 HydrophobicContact CD1-CG 3.93Å; I134-V193 HydrophobicContact CB-CB 4.42Å; I134-V193 HydrophobicContact CB-CG1 4.28Å; I134-V193 HydrophobicContact CB-CG2 4.25Å; I134-V193 HydrophobicContact CG2-CB 3.81Å; I134-V193 HydrophobicContact CG2-CG1 3.72Å; I134-V193 HydrophobicContact CG2-CG2 4.15Å
135R93.4Very high92.5Very high84 Ų8474.8 Ų74.832%0.31738%0.378SS..Hα-helixtrans-63.6-37.7-179.4-74.6-174.8-173.5176.9-1.3113.1I130 P131 Q132 S138 A139 Y158I130-R135 HydrophobicContact CG2-CG 4.09Å; I130-R135 PolarHBondContact O-NE 3.15Å; I130-R135 VanDerWaalsContact O-NE 3.14Å; P131-R135 WeakPolarHBondContact O-CG 3.38Å; P131-R135 PolarHBondContact O-N 3.48Å; Q132-R135 PolarHBondContact O-N 2.93Å; R135-S138 PolarHBondContact O-N 3.48Å; R135-A139 PolarHBondContact O-N 2.91Å; R135-Y158 VanDerWaalsContact CB-OH 3.3Å; R135-Y158 WeakPolarHBondContact CB-OH 3.41Å; R135-Y158 VanDerWaalsContact CG-OH 3.3Å; R135-Y158 WeakPolarHBondContact CG-OH 3.46Å
136E91.7Very high92.5Very high175 Ų17577.3 Ų77.382%0.81838%0.382SS*.Hα-helixtrans-61.1-45.8177.7-176.6176.6-175.300111.3I134 S138 A139I134-E136 VanDerWaalsContact C-N 3.35Å; I134-E136 PolarHBondContact O-N 2.78Å; E136-S138 VanDerWaalsContact C-N 3.33Å; E136-S138 PolarHBondContact O-N 3.25Å; E136-A139 PolarHBondContact O-N 3.45Å
137Y92.7Very high92.5Very high50 Ų5077 Ų7720%0.19638%0.379CS..Hα-helixtrans-63.3-41.3175.3-175.2-87.7000111.7I134 A139 R140 A143 L189 V193 I196I134-Y137 PolarHBondContact O-N 3.22Å; Y137-A139 VanDerWaalsContact C-N 3.27Å; Y137-A139 PolarHBondContact O-N 3.01Å; Y137-R140 WeakPolarHBondContact O-CB 3.28Å; Y137-R140 WeakPolarHBondContact O-CG 3.25Å; Y137-R140 PolarHBondContact O-N 2.97Å; Y137-A143 HydrophobicContact CD1-CB 4.26Å; Y137-A143 HydrophobicContact CE1-CB 4.09Å; Y137-A143 WeakPolarHBondContact O-CB 3.42Å; Y137-L189 HydrophobicContact CD1-CD1 3.9Å; Y137-L189 HydrophobicContact CE1-CD1 3.7Å; Y137-V193 HydrophobicContact CD1-CG2 3.55Å; Y137-V193 HydrophobicContact CD2-CG2 3.97Å; Y137-V193 HydrophobicContact CE1-CG2 4.13Å; Y137-V193 HydrophobicContact CE2-CG2 4.49Å; Y137-V193 HydrophobicContact CG-CG2 3.47Å; Y137-V193 VanDerWaalsContact CG-CG2 3.47Å; Y137-I196 HydrophobicContact CD2-CD1 4.3Å; Y137-I196 HydrophobicContact CE2-CD1 3.58Å
138S93.1Very high92.5Very high1 Ų169.9 Ų69.91%0.00736%0.359CS..Hα-helixtrans-69.5-21.3-177.9-56.20000113.6I130 I134 R135 E136 R140 H144I130-S138 WeakPolarHBondContact CG2-OG 3.42Å; I134-S138 PolarHBondContact O-N 3.5Å; I134-S138 PolarHBondContact O-OG 3.39Å; R135-S138 PolarHBondContact O-N 3.48Å; E136-S138 VanDerWaalsContact C-N 3.33Å; E136-S138 PolarHBondContact O-N 3.25Å; S138-R140 PolarHBondContact O-N 3.41Å; S138-H144 PolarHBondContact O-NE2 3.47Å
139A93.1Very high92.4Very high64 Ų6474.3 Ų74.353%0.52939%0.387SS..THydrogen-bonded Turntrans-71.4-11175.900000113.9R135 E136 Y137 Y158R135-A139 PolarHBondContact O-N 2.91Å; E136-A139 PolarHBondContact O-N 3.45Å; Y137-A139 VanDerWaalsContact C-N 3.27Å; Y137-A139 PolarHBondContact O-N 3.01Å; A139-Y158 HydrophobicContact CB-CD1 4.19Å; A139-Y158 HydrophobicContact CB-CE1 4Å
140R92.2Very high92.3Very high127 Ų12775.4 Ų75.448%0.47939%0.39SS..SBendtrans-73.2142.1-179.3-61.5171.155145-1.5111.3Y137 S138 D142 A143Y137-R140 WeakPolarHBondContact O-CB 3.28Å; Y137-R140 WeakPolarHBondContact O-CG 3.25Å; Y137-R140 PolarHBondContact O-N 2.97Å; S138-R140 PolarHBondContact O-N 3.41Å; R140-D142 WeakPolarHBondContact CB-OD1 3.48Å; R140-D142 IonicContact NE-OD1 3.16Å; R140-D142 PolarHBondContact NE-OD1 2.95Å; R140-D142 IonicContact NH2-OD1 2.68Å; R140-D142 IonicContact NH2-OD2 2.99Å; R140-D142 PolarHBondContact NH2-OD2 3.25Å; R140-D142 PolarHBondContact O-N 3.18Å; R140-D142 VanDerWaalsContact O-N 3.13Å; R140-A143 HydrophobicContact CB-CB 4.2Å; R140-A143 WeakPolarHBondContact O-CB 3.43Å; R140-A143 PolarHBondContact O-N 3.31Å
141P84.9Confident92.2Very high139 Ų13975.9 Ų75.990%0.90339%0.393SS*.THydrogen-bonded Turntrans-63.7-22.9-176.626.3-35.5000113.8
142D91.4Very high92.1Very high85 Ų8574.9 Ų74.946%0.45539%0.391SS..THydrogen-bonded Turntrans-98.4-10.1-178.260.9-24.4000114R140 H144 K145R140-D142 WeakPolarHBondContact CB-OD1 3.48Å; R140-D142 IonicContact NE-OD1 3.16Å; R140-D142 PolarHBondContact NE-OD1 2.95Å; R140-D142 IonicContact NH2-OD1 2.68Å; R140-D142 IonicContact NH2-OD2 2.99Å; R140-D142 PolarHBondContact NH2-OD2 3.25Å; R140-D142 PolarHBondContact O-N 3.18Å; R140-D142 VanDerWaalsContact O-N 3.13Å; D142-H144 PolarHBondContact O-N 2.98Å; D142-H144 VanDerWaalsContact O-N 3.07Å; D142-K145 PolarHBondContact O-N 3.36Å
143A92.4Very high92Very high12 Ų1272.8 Ų72.810%0.09938%0.377CS..THydrogen-bonded Turntrans-56.7-32.5-171.300000113.9Y137 R140Y137-A143 HydrophobicContact CD1-CB 4.26Å; Y137-A143 HydrophobicContact CE1-CB 4.09Å; Y137-A143 WeakPolarHBondContact O-CB 3.42Å; R140-A143 HydrophobicContact CB-CB 4.2Å; R140-A143 WeakPolarHBondContact O-CB 3.43Å; R140-A143 PolarHBondContact O-N 3.31Å
144H94.2Very high92.1Very high16 Ų1667.5 Ų67.57%0.07435%0.353CS..THydrogen-bonded Turntrans-114.411.1-173.1-50.2-70.9000113.7S138 D142 E146 L147 A148 V156 L165 Y185S138-H144 PolarHBondContact O-NE2 3.47Å; D142-H144 PolarHBondContact O-N 2.98Å; D142-H144 VanDerWaalsContact O-N 3.07Å; H144-E146 VanDerWaalsContact C-N 3.3Å; H144-E146 PolarHBondContact O-N 3.25Å; H144-L147 WeakPolarHBondContact O-CB 3.34Å; H144-L147 PolarHBondContact O-N 2.86Å; H144-A148 PolarHBondContact O-N 2.79Å; H144-A148 VanDerWaalsContact O-N 3.11Å; H144-V156 HydrophobicContact CB-CG1 3.72Å; H144-L165 HydrophobicContact CB-CD1 4.46Å; H144-L165 VanDerWaalsContact CD2-CD1 3.48Å; H144-L165 WeakPolarHBondContact CD2-CD1 3.49Å; H144-Y185 AromaticContact ND1-CE1 3.97Å; H144-Y185 AromaticContact ND1-CZ 3.69Å; H144-Y185 PolarHBondContact ND1-OH 3.44Å
145K92Very high92Very high148 Ų14868.4 Ų68.464%0.64336%0.357SS*.Hα-helixtrans-62-37.3-177.9-172.6178.2179.4-178.80112.8D142 A148 T149D142-K145 PolarHBondContact O-N 3.36Å; K145-A148 PolarHBondContact O-N 3.23Å; K145-T149 WeakPolarHBondContact O-CB 3.17Å; K145-T149 PolarHBondContact O-N 3.02Å; K145-T149 PolarHBondContact O-OG1 3.3Å
146E90.9Very high92Very high123 Ų12366 Ų6658%0.57535%0.352SS*.Hα-helixtrans-61.9-43.3177.1-172.7175.7-175.400111.6H144 T149 T150 K192H144-E146 VanDerWaalsContact C-N 3.3Å; H144-E146 PolarHBondContact O-N 3.25Å; E146-T149 PolarHBondContact O-N 3.44Å; E146-T150 VanDerWaalsContact O-CB 3.3Å; E146-T150 WeakPolarHBondContact O-CB 3.34Å; E146-T150 PolarHBondContact O-N 3.41Å; E146-T150 PolarHBondContact O-OG1 3.34Å; E146-K192 IonicContact OE2-NZ 3.78Å; E146-K192 PolarHBondContact OE2-NZ 3.24Å
147L93Very high92Very high4 Ų460.1 Ų60.12%0.02133%0.33CS..Hα-helixtrans-62.6-48.6175.3178.766.6000111.2H144 T149 T150 V151 L165 I167 L181 Y185H144-L147 WeakPolarHBondContact O-CB 3.34Å; H144-L147 PolarHBondContact O-N 2.86Å; L147-T149 VanDerWaalsContact C-N 3.29Å; L147-T149 PolarHBondContact O-N 2.86Å; L147-T150 PolarHBondContact O-N 3.01Å; L147-V151 HydrophobicContact CD1-CG2 4.08Å; L147-V151 PolarHBondContact O-N 2.88Å; L147-V151 VanDerWaalsContact O-N 3.1Å; L147-L165 HydrophobicContact CD2-CD2 3.95Å; L147-I167 HydrophobicContact CD2-CD1 3.88Å; L147-L181 HydrophobicContact CD1-CD2 3.75Å; L147-L181 HydrophobicContact CD1-CG 4.43Å; L147-Y185 HydrophobicContact CB-CD2 4.1Å; L147-Y185 HydrophobicContact CB-CE2 3.78Å; L147-Y185 HydrophobicContact CD1-CD2 3.93Å; L147-Y185 HydrophobicContact CD1-CE2 4.44Å; L147-Y185 HydrophobicContact CD1-CG 3.99Å; L147-Y185 HydrophobicContact CD2-CD1 3.94Å; L147-Y185 HydrophobicContact CD2-CD2 4.35Å; L147-Y185 HydrophobicContact CD2-CE1 3.84Å; L147-Y185 HydrophobicContact CD2-CE2 4.27Å; L147-Y185 HydrophobicContact CD2-CG 4.2Å; L147-Y185 HydrophobicContact CG-CD2 4.35Å; L147-Y185 HydrophobicContact CG-CE2 4.39Å
148A92.5Very high92Very high31 Ų3160.1 Ų60.126%0.25633%0.33SS..Hα-helixtrans-58.1-41.8179.200000112.4H144 K145 G152 V156H144-A148 PolarHBondContact O-N 2.79Å; H144-A148 VanDerWaalsContact O-N 3.11Å; K145-A148 PolarHBondContact O-N 3.23Å; A148-G152 PolarHBondContact O-N 3.26Å; A148-G152 VanDerWaalsContact O-N 3.16Å; A148-V156 HydrophobicContact CB-CG2 3.93Å
149T92.2Very high91.9Very high104 Ų10462.5 Ų62.564%0.63834%0.343SS*.Hα-helixtrans-71.8-41.8180-52.70000111.6K145 E146 L147K145-T149 WeakPolarHBondContact O-CB 3.17Å; K145-T149 PolarHBondContact O-N 3.02Å; K145-T149 PolarHBondContact O-OG1 3.3Å; E146-T149 PolarHBondContact O-N 3.44Å; L147-T149 VanDerWaalsContact C-N 3.29Å; L147-T149 PolarHBondContact O-N 2.86Å
150T92.4Very high91.8Very high98 Ų9863.5 Ų63.560%0.60135%0.346SS*.Hα-helixtrans-68-44.5-176-58.60000112.5E146 L147 L181E146-T150 VanDerWaalsContact O-CB 3.3Å; E146-T150 WeakPolarHBondContact O-CB 3.34Å; E146-T150 PolarHBondContact O-N 3.41Å; E146-T150 PolarHBondContact O-OG1 3.34Å; L147-T150 PolarHBondContact O-N 3.01Å; T150-L181 HydrophobicContact CG2-CD2 4.42Å
151V93.2Very high91.7Very high11 Ų1164.5 Ų64.57%0.06736%0.361CS..Hα-helixtrans-75.7-37.2179.5-179.10000111.1L147 I154 A174 R177 A178 L181L147-V151 HydrophobicContact CD1-CG2 4.08Å; L147-V151 PolarHBondContact O-N 2.88Å; L147-V151 VanDerWaalsContact O-N 3.1Å; V151-I154 HydrophobicContact CB-CD1 3.64Å; V151-I154 HydrophobicContact CB-CG1 4.15Å; V151-I154 HydrophobicContact CB-CG2 4.39Å; V151-I154 HydrophobicContact CG1-CD1 4.02Å; V151-I154 HydrophobicContact CG1-CG1 4.37Å; V151-I154 HydrophobicContact CG1-CG2 3.69Å; V151-I154 HydrophobicContact CG2-CD1 4.03Å; V151-A174 HydrophobicContact CG1-CB 4.46Å; V151-A174 WeakPolarHBondContact CG1-O 3.48Å; V151-R177 HydrophobicContact CG1-CB 4.02Å; V151-R177 PolarHBondContact O-NE 3.36Å; V151-R177 PolarHBondContact O-NH2 2.97Å; V151-A178 HydrophobicContact CG1-CB 4.34Å; V151-L181 HydrophobicContact CG2-CD2 4.04Å
152G91.1Very high92.1Very high24 Ų2460.2 Ų60.225%0.24733%0.334CS..  trans65.6157.9-174.200000112.9A148 I154A148-G152 PolarHBondContact O-N 3.26Å; A148-G152 VanDerWaalsContact O-N 3.16Å; G152-I154 PolarHBondContact O-N 2.9Å
153R91.1Very high92.1Very high105 Ų10556.1 Ų56.140%0.39631%0.312SS..SBendtrans5525.4176-61.1179.1-80.6142.1-4.3114.6S169 Y171 D173 A174R153-S169 WeakPolarHBondContact O-CB 3.45Å; R153-S169 PolarHBondContact O-OG 3.16Å; R153-Y171 HydrophobicContact CB-CD2 3.67Å; R153-Y171 HydrophobicContact CB-CE2 3.99Å; R153-Y171 HydrophobicContact CB-CG 4.29Å; R153-Y171 HydrophobicContact CG-CD2 4.26Å; R153-Y171 HydrophobicContact CG-CE2 4.18Å; R153-D173 IonicContact CZ-OD1 3.5Å; R153-D173 IonicContact CZ-OD2 2.94Å; R153-D173 IonicContact NH1-OD1 3.39Å; R153-D173 PolarHBondContact NH1-OD1 3.43Å; R153-D173 IonicContact NH1-OD2 3.92Å; R153-D173 PolarHBondContact NH1-OD2 2.92Å; R153-D173 IonicContact NH2-OD1 2.74Å; R153-D173 IonicContact NH2-OD2 3.25Å; R153-D173 PolarHBondContact NH2-OD2 3.2Å; R153-A174 HydrophobicContact CB-CB 4.42Å
154I93.2Very high92.2Very high14 Ų1456.9 Ų56.97%0.07231%0.314CS..  trans-117.5157.8175.461.5168.5000111.2V151 G152 V156 I167 A174V151-I154 HydrophobicContact CB-CD1 3.64Å; V151-I154 HydrophobicContact CB-CG1 4.15Å; V151-I154 HydrophobicContact CB-CG2 4.39Å; V151-I154 HydrophobicContact CG1-CD1 4.02Å; V151-I154 HydrophobicContact CG1-CG1 4.37Å; V151-I154 HydrophobicContact CG1-CG2 3.69Å; V151-I154 HydrophobicContact CG2-CD1 4.03Å; G152-I154 PolarHBondContact O-N 2.9Å; I154-V156 HydrophobicContact CD1-CG2 3.67Å; I154-V156 HydrophobicContact CG1-CG2 4.16Å; I154-I167 HydrophobicContact CB-CG2 3.93Å; I154-I167 HydrophobicContact CD1-CG2 3.79Å; I154-I167 HydrophobicContact CG1-CG2 4.44Å; I154-I167 HydrophobicContact CG2-CG2 4.1Å; I154-A174 HydrophobicContact CG2-CB 3.84Å
155L92.5Very high92.2Very high21 Ų2156.1 Ų56.111%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-108.2133.8164.1-173.580.7000108.1Q18 I167 T168Q18-L155 WeakPolarHBondContact O-CD1 3.28Å; Q18-L155 WeakPolarHBondContact O-CD2 3.43Å; L155-I167 CarbonylContact O-C 3.6Å; L155-I167 VanDerWaalsContact O-CA 3.28Å; L155-I167 WeakPolarHBondContact O-CA 3.37Å; L155-T168 PolarHBondContact N-O 3.49Å; L155-T168 PolarHBondContact O-N 3.35Å
156V92.7Very high92.3Very high35 Ų3550.9 Ų50.921%0.21229%0.29CS..EExtended strand (participates in β ladder)trans-120.4125.8177.4-174.80000108.8H144 A148 I154 L165 I167H144-V156 HydrophobicContact CB-CG1 3.72Å; A148-V156 HydrophobicContact CB-CG2 3.93Å; I154-V156 HydrophobicContact CD1-CG2 3.67Å; I154-V156 HydrophobicContact CG1-CG2 4.16Å; V156-L165 HydrophobicContact CG1-CD1 3.5Å; V156-L165 VanDerWaalsContact CG1-CD1 3.5Å; V156-L165 HydrophobicContact CG1-CD2 4.1Å; V156-L165 HydrophobicContact CG1-CG 3.86Å; V156-I167 HydrophobicContact CG2-CG1 4.42Å
157S91.4Very high92.4Very high50 Ų5045 Ų4535%0.3526%0.262SS..EExtended strand (participates in β ladder)trans-138131.4177.957.70000110.3I166S157-I166 PolarHBondContact N-O 3.29Å; S157-I166 PolarHBondContact O-N 2.99Å; S157-I166 PolarHBondContact OG-O 2.98Å
158Y93Very high92.5Very high51 Ų5145.3 Ų45.320%0.226%0.264CS..EExtended strand (participates in β ladder)trans-91.2125174.1177.5-108.6000110I130 R135 A139I130-Y158 HydrophobicContact CB-CE2 4.25Å; I130-Y158 HydrophobicContact CG1-CD2 4.36Å; I130-Y158 HydrophobicContact CG1-CE2 4.05Å; R135-Y158 VanDerWaalsContact CB-OH 3.3Å; R135-Y158 WeakPolarHBondContact CB-OH 3.41Å; R135-Y158 VanDerWaalsContact CG-OH 3.3Å; R135-Y158 WeakPolarHBondContact CG-OH 3.46Å; A139-Y158 HydrophobicContact CB-CD1 4.19Å; A139-Y158 HydrophobicContact CB-CE1 4Å
159D91.5Very high92.5Very high51 Ų5143.8 Ų43.827%0.27325%0.252SS..EExtended strand (participates in β ladder)trans-95.3108.2172175.120.3000109.8N161 S162 G163 D164 I166D159-N161 PolarHBondContact O-N 2.77Å; D159-N161 WeakPolarHBondContact OD1-CB 3.25Å; D159-N161 PolarHBondContact OD1-N 2.74Å; D159-S162 WeakPolarHBondContact CB-OG 3.38Å; D159-S162 WeakPolarHBondContact OD2-CB 3.39Å; D159-S162 PolarHBondContact OD2-N 2.86Å; D159-S162 PolarHBondContact OD2-OG 2.88Å; D159-G163 WeakPolarHBondContact O-CA 3.37Å; D159-G163 PolarHBondContact O-N 2.74Å; D159-D164 PolarHBondContact N-O 3.04Å; D159-D164 PolarHBondContact O-N 3.39Å; D159-I166 HydrophobicContact CB-CD1 4.06Å
160S90.6Very high92.5Very high85 Ų8539.8 Ų39.859%0.59423%0.228SC*.THydrogen-bonded Turntrans-63.3-23.8-179.157.20000113.8
161N90.3Very high92.4Very high147 Ų14737.5 Ų37.579%0.78621%0.208SC*.THydrogen-bonded Turntrans-80.1-46.5-176-62.8-37.2000111.9D159D159-N161 PolarHBondContact O-N 2.77Å; D159-N161 WeakPolarHBondContact OD1-CB 3.25Å; D159-N161 PolarHBondContact OD1-N 2.74Å
162S91.9Very high92.3Very high49 Ų4943.1 Ų43.134%0.34323%0.234SC..THydrogen-bonded Turntrans-80.6-27.1175.155.30000112.6D159 D164D159-S162 WeakPolarHBondContact CB-OG 3.38Å; D159-S162 WeakPolarHBondContact OD2-CB 3.39Å; D159-S162 PolarHBondContact OD2-N 2.86Å; D159-S162 PolarHBondContact OD2-OG 2.88Å; S162-D164 VanDerWaalsContact C-N 3.27Å; S162-D164 WeakPolarHBondContact OG-CB 3.4Å; S162-D164 PolarHBondContact OG-N 3.5Å
163G92.1Very high92.4Very high0 Ų045.1 Ų45.10%024%0.239CC..THydrogen-bonded Turntrans74.719.6-167.900000112.5I130 D159I130-G163 VanDerWaalsContact CB-O 3.23Å; I130-G163 WeakPolarHBondContact CB-O 3.47Å; I130-G163 PolarHBondContact N-O 3.41Å; D159-G163 WeakPolarHBondContact O-CA 3.37Å; D159-G163 PolarHBondContact O-N 2.74Å
164D94.6Very high92.5Very high27 Ų2740.1 Ų40.114%0.14422%0.22CC..EExtended strand (participates in β ladder)trans-97.6138.5179.4-70.5-19.4000111.1S129 D159 S162S129-D164 WeakPolarHBondContact CA-OD1 3.45Å; S129-D164 PolarHBondContact OG-OD1 2.93Å; D159-D164 PolarHBondContact N-O 3.04Å; D159-D164 PolarHBondContact O-N 3.39Å; S162-D164 VanDerWaalsContact C-N 3.27Å; S162-D164 WeakPolarHBondContact OG-CB 3.4Å; S162-D164 PolarHBondContact OG-N 3.5Å
165L94.5Very high92.6Very high0 Ų040.1 Ų40.10%022%0.22CC..EExtended strand (participates in β ladder)trans-86.6113.4163.9-170.968.5000108.6R127 I128 I130 H144 L147 V156 Y185R127-L165 WeakPolarHBondContact CA-O 3.24Å; I128-L165 HydrophobicContact CB-CB 4.27Å; I128-L165 PolarHBondContact N-O 3.42Å; I128-L165 PolarHBondContact O-N 2.96Å; I130-L165 HydrophobicContact CD1-CB 4.03Å; I130-L165 HydrophobicContact CG1-CB 4.08Å; H144-L165 HydrophobicContact CB-CD1 4.46Å; H144-L165 VanDerWaalsContact CD2-CD1 3.48Å; H144-L165 WeakPolarHBondContact CD2-CD1 3.49Å; L147-L165 HydrophobicContact CD2-CD2 3.95Å; V156-L165 HydrophobicContact CG1-CD1 3.5Å; V156-L165 VanDerWaalsContact CG1-CD1 3.5Å; V156-L165 HydrophobicContact CG1-CD2 4.1Å; V156-L165 HydrophobicContact CG1-CG 3.86Å; L165-Y185 HydrophobicContact CD2-CE1 3.82Å
166I93.5Very high92.7Very high39 Ų3941.8 Ų41.820%0.224%0.237CC..EExtended strand (participates in β ladder)trans-97.1120.2-178.2-54.3172.3000108.5R127 S157 D159R127-I166 HydrophobicContact CG-CG1 4.48Å; S157-I166 PolarHBondContact N-O 3.29Å; S157-I166 PolarHBondContact O-N 2.99Å; S157-I166 PolarHBondContact OG-O 2.98Å; D159-I166 HydrophobicContact CB-CD1 4.06Å
167I94.2Very high92.8Very high0 Ų044.3 Ų44.30%024%0.242CC..EExtended strand (participates in β ladder)trans-110.6122176.4-54.9171.3000108.1S125 C126 I128 L147 I154 L155 V156 A178S125-I167 CarbonylContact C-O 3.58Å; S125-I167 WeakPolarHBondContact CA-O 3.49Å; C126-I167 PolarHBondContact N-O 3.46Å; C126-I167 PolarHBondContact O-N 3.27Å; I128-I167 HydrophobicContact CD1-CD1 3.78Å; I128-I167 HydrophobicContact CG1-CD1 4.39Å; L147-I167 HydrophobicContact CD2-CD1 3.88Å; I154-I167 HydrophobicContact CB-CG2 3.93Å; I154-I167 HydrophobicContact CD1-CG2 3.79Å; I154-I167 HydrophobicContact CG1-CG2 4.44Å; I154-I167 HydrophobicContact CG2-CG2 4.1Å; L155-I167 CarbonylContact O-C 3.6Å; L155-I167 VanDerWaalsContact O-CA 3.28Å; L155-I167 WeakPolarHBondContact O-CA 3.37Å; V156-I167 HydrophobicContact CG2-CG1 4.42Å; I167-A178 HydrophobicContact CD1-CB 4.15Å; I167-A178 HydrophobicContact CG2-CB 3.98Å
168T93.5Very high93Very high9 Ų941.9 Ų41.96%0.05523%0.226CC..EExtended strand (participates in β ladder)trans-125.1137.9-175.2-59.80000111.1V20 F123 K124 S125 L155V20-T168 HydrophobicContact CG2-CG2 4.27Å; F123-T168 HydrophobicContact CB-CG2 4Å; F123-T168 HydrophobicContact CD1-CG2 4.18Å; K124-T168 WeakPolarHBondContact O-CA 3.48Å; S125-T168 PolarHBondContact OG-OG1 3Å; L155-T168 PolarHBondContact N-O 3.49Å; L155-T168 PolarHBondContact O-N 3.35Å
169S93.5Very high93Very high0 Ų043.6 Ų43.60%024%0.238CC..EExtended strand (participates in β ladder)trans-158.1154.7176.3-1760000111.6K124 R153 Y171K124-S169 PolarHBondContact N-O 2.86Å; K124-S169 PolarHBondContact O-N 2.88Å; R153-S169 WeakPolarHBondContact O-CB 3.45Å; R153-S169 PolarHBondContact O-OG 3.16Å; S169-Y171 PolarHBondContact OG-N 3.07Å
170C91.3Very high93.1Very high20 Ų2048.6 Ų48.614%0.13526%0.262CS..SBendtrans-89.4-4.9168.957.50000113.5M1 L46 S122M1-C170 HydrophobicContact SD-CB 4.36Å; M1-C170 PolarHBondContact SD-SG 3.36Å; L46-C170 HydrophobicContact CD2-CB 4.23Å; L46-C170 WeakPolarHBondContact CD2-SG 3.47Å; S122-C170 VanDerWaalsContact O-CA 3.28Å; S122-C170 WeakPolarHBondContact O-CA 3.29Å
171Y90.7Very high93.2Very high49 Ų4946.9 Ų46.919%0.19225%0.246CC..  trans-100.5113.9-178.4-64.7-84.8000110M1 L46 R153 S169 D173 A174 I175M1-Y171 HydrophobicContact CG-CE2 4.31Å; M1-Y171 HydrophobicContact SD-CD2 4.35Å; M1-Y171 HydrophobicContact SD-CE2 4.4Å; L46-Y171 HydrophobicContact CD1-CE1 4.25Å; R153-Y171 HydrophobicContact CB-CD2 3.67Å; R153-Y171 HydrophobicContact CB-CE2 3.99Å; R153-Y171 HydrophobicContact CB-CG 4.29Å; R153-Y171 HydrophobicContact CG-CD2 4.26Å; R153-Y171 HydrophobicContact CG-CE2 4.18Å; S169-Y171 PolarHBondContact OG-N 3.07Å; Y171-D173 VanDerWaalsContact C-N 3.26Å; Y171-D173 WeakPolarHBondContact CB-OD1 3.45Å; Y171-D173 PolarHBondContact O-N 3.29Å; Y171-A174 WeakPolarHBondContact O-CB 3.44Å; Y171-A174 PolarHBondContact O-N 3.48Å; Y171-A174 VanDerWaalsContact O-N 3.1Å; Y171-I175 PolarHBondContact O-N 3.16Å; Y171-I175 VanDerWaalsContact O-N 3.08Å
172E90.8Very high93.3Very high130 Ų13040.8 Ų40.861%0.60722%0.216SC*.Hα-helixtrans-60.2-38-178.1-62.5-165.9160.400112.4K124 A174 I175 A176K124-E172 VanDerWaalsContact NZ-CD 3.26Å; K124-E172 IonicContact NZ-OE1 2.6Å; K124-E172 PolarHBondContact NZ-OE1 2.94Å; E172-A174 VanDerWaalsContact C-N 3.33Å; E172-A174 PolarHBondContact O-N 3.23Å; E172-I175 PolarHBondContact O-N 3.33Å; E172-A176 WeakPolarHBondContact O-CB 3.46Å; E172-A176 PolarHBondContact O-N 3.27Å
173D92.8Very high93.3Very high65 Ų6546.5 Ų46.535%0.34824%0.237SC..Hα-helixtrans-66.7-34.9177.370.8-48000112.1R153 Y171 R177R153-D173 IonicContact CZ-OD1 3.5Å; R153-D173 IonicContact CZ-OD2 2.94Å; R153-D173 IonicContact NH1-OD1 3.39Å; R153-D173 PolarHBondContact NH1-OD1 3.43Å; R153-D173 IonicContact NH1-OD2 3.92Å; R153-D173 PolarHBondContact NH1-OD2 2.92Å; R153-D173 IonicContact NH2-OD1 2.74Å; R153-D173 IonicContact NH2-OD2 3.25Å; R153-D173 PolarHBondContact NH2-OD2 3.2Å; Y171-D173 VanDerWaalsContact C-N 3.26Å; Y171-D173 WeakPolarHBondContact CB-OD1 3.45Å; Y171-D173 PolarHBondContact O-N 3.29Å; D173-R177 WeakPolarHBondContact O-CB 3.44Å; D173-R177 WeakPolarHBondContact O-CG 3.39Å; D173-R177 PolarHBondContact O-N 2.74Å; D173-R177 PolarHBondContact O-NH1 2.77Å; D173-R177 IonicContact OD2-CZ 2.85Å; D173-R177 IonicContact OD2-NH1 2.71Å; D173-R177 PolarHBondContact OD2-NH1 2.76Å; D173-R177 IonicContact OD2-NH2 2.91Å; D173-R177 PolarHBondContact OD2-NH2 2.99Å
174A93.8Very high93.4Very high0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-68.6-41.8175.400000111.7V151 R153 I154 Y171 E172 R177 A178V151-A174 HydrophobicContact CG1-CB 4.46Å; V151-A174 WeakPolarHBondContact CG1-O 3.48Å; R153-A174 HydrophobicContact CB-CB 4.42Å; I154-A174 HydrophobicContact CG2-CB 3.84Å; Y171-A174 WeakPolarHBondContact O-CB 3.44Å; Y171-A174 PolarHBondContact O-N 3.48Å; Y171-A174 VanDerWaalsContact O-N 3.1Å; E172-A174 VanDerWaalsContact C-N 3.33Å; E172-A174 PolarHBondContact O-N 3.23Å; A174-R177 PolarHBondContact O-N 3.29Å; A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 2.82Å
175I94.8Very high93.4Very high15 Ų1550 Ų508%0.07725%0.253CS..Hα-helixtrans-65.4-41.6173.6-67.5-60.9000111.6K124 Y171 E172 R177 A178 N179K124-I175 HydrophobicContact CB-CG1 4.04Å; K124-I175 WeakPolarHBondContact O-CD1 3.43Å; Y171-I175 PolarHBondContact O-N 3.16Å; Y171-I175 VanDerWaalsContact O-N 3.08Å; E172-I175 PolarHBondContact O-N 3.33Å; I175-R177 VanDerWaalsContact C-N 3.35Å; I175-R177 PolarHBondContact O-N 3.32Å; I175-A178 PolarHBondContact O-N 2.85Å; I175-N179 WeakPolarHBondContact O-CB 3.46Å; I175-N179 PolarHBondContact O-N 3.48Å; I175-N179 PolarHBondContact O-ND2 2.84Å
176A94.4Very high93.3Very high55 Ų5551.9 Ų51.946%0.45526%0.263SS..Hα-helixtrans-60.7-43.7175.800000111.7E172 N179 M180E172-A176 WeakPolarHBondContact O-CB 3.46Å; E172-A176 PolarHBondContact O-N 3.27Å; A176-N179 PolarHBondContact O-N 2.93Å; A176-M180 WeakPolarHBondContact O-CB 3.4Å; A176-M180 PolarHBondContact O-N 2.91Å
177R95.4Very high93.3Very high88 Ų8856.2 Ų56.233%0.33228%0.277SS..Hα-helixtrans-62.8-44.1173.5-76.3-167.7-60.4-83.1-2.1112.4V151 D173 A174 I175 N179 M180 L181V151-R177 HydrophobicContact CG1-CB 4.02Å; V151-R177 PolarHBondContact O-NE 3.36Å; V151-R177 PolarHBondContact O-NH2 2.97Å; D173-R177 WeakPolarHBondContact O-CB 3.44Å; D173-R177 WeakPolarHBondContact O-CG 3.39Å; D173-R177 PolarHBondContact O-N 2.74Å; D173-R177 PolarHBondContact O-NH1 2.77Å; D173-R177 IonicContact OD2-CZ 2.85Å; D173-R177 IonicContact OD2-NH1 2.71Å; D173-R177 PolarHBondContact OD2-NH1 2.76Å; D173-R177 IonicContact OD2-NH2 2.91Å; D173-R177 PolarHBondContact OD2-NH2 2.99Å; A174-R177 PolarHBondContact O-N 3.29Å; I175-R177 VanDerWaalsContact C-N 3.35Å; I175-R177 PolarHBondContact O-N 3.32Å; R177-N179 VanDerWaalsContact C-N 3.34Å; R177-N179 PolarHBondContact O-N 3.19Å; R177-M180 PolarHBondContact O-N 2.95Å; R177-L181 WeakPolarHBondContact O-CB 3.28Å; R177-L181 PolarHBondContact O-N 2.91Å
178A95Very high93.4Very high0 Ų059.5 Ų59.50%030%0.295CS..Hα-helixtrans-60.2-43.8177.300000111.7V151 I167 A174 I175 L181 A182V151-A178 HydrophobicContact CG1-CB 4.34Å; I167-A178 HydrophobicContact CD1-CB 4.15Å; I167-A178 HydrophobicContact CG2-CB 3.98Å; A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 2.82Å; I175-A178 PolarHBondContact O-N 2.85Å; A178-L181 PolarHBondContact O-N 3.48Å; A178-A182 PolarHBondContact O-N 3.5Å
179N94.1Very high93.4Very high86 Ų8659.5 Ų59.546%0.4629%0.294SS..Hα-helixtrans-63.1-44.5175.1-76.5-31.6000112.3C126 I175 A176 R177 L181 A182C126-N179 WeakPolarHBondContact CB-OD1 3.36Å; C126-N179 PolarHBondContact SG-OD1 3.32Å; C126-N179 VanDerWaalsContact SG-OD1 3.4Å; I175-N179 WeakPolarHBondContact O-CB 3.46Å; I175-N179 PolarHBondContact O-N 3.48Å; I175-N179 PolarHBondContact O-ND2 2.84Å; A176-N179 PolarHBondContact O-N 2.93Å; R177-N179 VanDerWaalsContact C-N 3.34Å; R177-N179 PolarHBondContact O-N 3.19Å; N179-L181 PolarHBondContact O-N 2.93Å; N179-A182 WeakPolarHBondContact O-CB 3.31Å; N179-A182 PolarHBondContact O-N 3.43Å
180M92.4Very high93.4Very high156 Ų15660.7 Ų60.777%0.76830%0.302SS*.Hα-helixtrans-60.7-36.1177.3-174.7-175.5-65.400112A176 R177A176-M180 WeakPolarHBondContact O-CB 3.4Å; A176-M180 PolarHBondContact O-N 2.91Å; R177-M180 PolarHBondContact O-N 2.95Å
181L93.6Very high93.5Very high50 Ų5065 Ų6526%0.26232%0.32SS..Hα-helixtrans-85.2-14.3-178.2-166.661.7000113.3L147 T150 V151 R177 A178 N179 E183 I184 Y185L147-L181 HydrophobicContact CD1-CD2 3.75Å; L147-L181 HydrophobicContact CD1-CG 4.43Å; T150-L181 HydrophobicContact CG2-CD2 4.42Å; V151-L181 HydrophobicContact CG2-CD2 4.04Å; R177-L181 WeakPolarHBondContact O-CB 3.28Å; R177-L181 PolarHBondContact O-N 2.91Å; A178-L181 PolarHBondContact O-N 3.48Å; N179-L181 PolarHBondContact O-N 2.93Å; L181-E183 PolarHBondContact O-N 3.47Å; L181-I184 HydrophobicContact CD1-CB 4.28Å; L181-I184 HydrophobicContact CD1-CG2 4.18Å; L181-I184 PolarHBondContact O-N 3.26Å; L181-Y185 VanDerWaalsContact O-CB 3.22Å; L181-Y185 WeakPolarHBondContact O-CB 3.3Å; L181-Y185 PolarHBondContact O-N 2.59Å
182A92.9Very high93.6Very high18 Ų1866.9 Ų66.915%0.14933%0.329CS..Hα-helixtrans-55.7-49.1-167.700000114.1I128 A178 N179 Y185 L186I128-A182 HydrophobicContact CD1-CB 3.64Å; I128-A182 HydrophobicContact CG1-CB 3.93Å; A178-A182 PolarHBondContact O-N 3.5Å; N179-A182 WeakPolarHBondContact O-CB 3.31Å; N179-A182 PolarHBondContact O-N 3.43Å; A182-Y185 PolarHBondContact O-N 3.08Å; A182-L186 WeakPolarHBondContact O-CB 3.46Å; A182-L186 PolarHBondContact O-N 2.9Å
183E91.7Very high93.7Very high169 Ų16960.9 Ų60.979%0.7930%0.302SS*.Hα-helixtrans-68.1-42.5-178.6-66.8-176.9174.500112.4L181 L186 R187L181-E183 PolarHBondContact O-N 3.47Å; E183-L186 PolarHBondContact O-N 3.44Å; E183-R187 PolarHBondContact O-N 2.74Å; E183-R187 VanDerWaalsContact O-N 3.08Å
184I93.5Very high93.7Very high74 Ų7463.4 Ų63.438%0.37931%0.31SS..Hα-helixtrans-61.5-49.4176.8-67.9173.4000109.3L181 L186 R187 D188L181-I184 HydrophobicContact CD1-CB 4.28Å; L181-I184 HydrophobicContact CD1-CG2 4.18Å; L181-I184 PolarHBondContact O-N 3.26Å; I184-L186 VanDerWaalsContact C-N 3.33Å; I184-L186 PolarHBondContact O-N 2.88Å; I184-R187 PolarHBondContact O-N 3.01Å; I184-D188 WeakPolarHBondContact CG2-OD2 3.05Å; I184-D188 WeakPolarHBondContact O-CB 3.26Å; I184-D188 PolarHBondContact O-N 2.94Å
185Y94.1Very high93.5Very high26 Ų2668.9 Ų68.910%0.10234%0.339CS..Hα-helixtrans-56.4-47.1178.7175.7-104.9000111.9I128 H144 L147 L165 L181 A182 D188 L189I128-Y185 HydrophobicContact CD1-CD1 4.3Å; H144-Y185 AromaticContact ND1-CE1 3.97Å; H144-Y185 AromaticContact ND1-CZ 3.69Å; H144-Y185 PolarHBondContact ND1-OH 3.44Å; L147-Y185 HydrophobicContact CB-CD2 4.1Å; L147-Y185 HydrophobicContact CB-CE2 3.78Å; L147-Y185 HydrophobicContact CD1-CD2 3.93Å; L147-Y185 HydrophobicContact CD1-CE2 4.44Å; L147-Y185 HydrophobicContact CD1-CG 3.99Å; L147-Y185 HydrophobicContact CD2-CD1 3.94Å; L147-Y185 HydrophobicContact CD2-CD2 4.35Å; L147-Y185 HydrophobicContact CD2-CE1 3.84Å; L147-Y185 HydrophobicContact CD2-CE2 4.27Å; L147-Y185 HydrophobicContact CD2-CG 4.2Å; L147-Y185 HydrophobicContact CG-CD2 4.35Å; L147-Y185 HydrophobicContact CG-CE2 4.39Å; L165-Y185 HydrophobicContact CD2-CE1 3.82Å; L181-Y185 VanDerWaalsContact O-CB 3.22Å; L181-Y185 WeakPolarHBondContact O-CB 3.3Å; L181-Y185 PolarHBondContact O-N 2.59Å; A182-Y185 PolarHBondContact O-N 3.08Å; Y185-D188 PolarHBondContact O-N 2.97Å; Y185-L189 HydrophobicContact CE1-CD2 4.04Å; Y185-L189 VanDerWaalsContact O-CB 3.25Å; Y185-L189 WeakPolarHBondContact O-CB 3.35Å; Y185-L189 PolarHBondContact O-N 2.95Å
186L93.7Very high93.2Very high40 Ų4070.9 Ų70.921%0.20935%0.349CS..Hα-helixtrans-63.8-45-179.1-178.561000111.9I128 I130 P131 I134 A182 E183 I184 D188 L189 C190I128-L186 HydrophobicContact CG2-CB 4.41Å; I128-L186 HydrophobicContact CG2-CD2 4.41Å; I130-L186 HydrophobicContact CD1-CD1 4.08Å; P131-L186 HydrophobicContact CG-CD1 4.33Å; I134-L186 HydrophobicContact CD1-CD1 4.25Å; A182-L186 WeakPolarHBondContact O-CB 3.46Å; A182-L186 PolarHBondContact O-N 2.9Å; E183-L186 PolarHBondContact O-N 3.44Å; I184-L186 VanDerWaalsContact C-N 3.33Å; I184-L186 PolarHBondContact O-N 2.88Å; L186-D188 PolarHBondContact O-N 3.11Å; L186-L189 PolarHBondContact O-N 2.77Å; L186-C190 PolarHBondContact O-N 3.48Å; L186-C190 PolarHBondContact O-SG 2.9Å
187R94Very high93Very high130 Ų13071.9 Ų71.949%0.49134%0.344SS..Hα-helixtrans-60.3-46.7177.3-178.4-165.964.1-137.3-6.8111.3E183 I184 L189 C190 Q191E183-R187 PolarHBondContact O-N 2.74Å; E183-R187 VanDerWaalsContact O-N 3.08Å; I184-R187 PolarHBondContact O-N 3.01Å; R187-L189 VanDerWaalsContact C-N 3.35Å; R187-C190 PolarHBondContact O-N 3.35Å; R187-Q191 WeakPolarHBondContact O-CG 3.37Å; R187-Q191 PolarHBondContact O-N 3.36Å
188D94.6Very high92.6Very high70 Ų7076.6 Ų76.637%0.37436%0.362SS..Hα-helixtrans-69.1-36.3-177.3-62.2-4.9000110.8I184 Y185 L186 Q191 K192I184-D188 WeakPolarHBondContact CG2-OD2 3.05Å; I184-D188 WeakPolarHBondContact O-CB 3.26Å; I184-D188 PolarHBondContact O-N 2.94Å; Y185-D188 PolarHBondContact O-N 2.97Å; L186-D188 PolarHBondContact O-N 3.11Å; D188-Q191 PolarHBondContact O-N 3Å; D188-K192 WeakPolarHBondContact O-CB 3.23Å; D188-K192 PolarHBondContact O-N 2.7Å
189L94.5Very high92Very high8 Ų880.5 Ų80.54%0.04239%0.386CS..Hα-helixtrans-61.9-48.1172.2-178.563.2000111.4I134 Y137 Y185 L186 R187 Q191 K192 V193I134-L189 HydrophobicContact CD1-CD2 3.8Å; I134-L189 HydrophobicContact CD1-CG 3.93Å; Y137-L189 HydrophobicContact CD1-CD1 3.9Å; Y137-L189 HydrophobicContact CE1-CD1 3.7Å; Y185-L189 HydrophobicContact CE1-CD2 4.04Å; Y185-L189 VanDerWaalsContact O-CB 3.25Å; Y185-L189 WeakPolarHBondContact O-CB 3.35Å; Y185-L189 PolarHBondContact O-N 2.95Å; L186-L189 PolarHBondContact O-N 2.77Å; R187-L189 VanDerWaalsContact C-N 3.35Å; L189-Q191 PolarHBondContact O-N 2.89Å; L189-K192 PolarHBondContact O-N 2.7Å; L189-V193 HydrophobicContact CD1-CG2 4.38Å; L189-V193 WeakPolarHBondContact O-CG2 3.37Å; L189-V193 PolarHBondContact O-N 2.96Å
190C94.2Very high91.7Very high25 Ų2580.8 Ų80.817%0.16939%0.385CS..Hα-helixtrans-56.8-48.8175.8-71.90000111.3L186 R187 K192 V193 F194L186-C190 PolarHBondContact O-N 3.48Å; L186-C190 PolarHBondContact O-SG 2.9Å; R187-C190 PolarHBondContact O-N 3.35Å; C190-K192 VanDerWaalsContact C-N 3.34Å; C190-K192 PolarHBondContact O-N 3.3Å; C190-V193 PolarHBondContact O-N 3.48Å; C190-F194 HydrophobicContact CB-CD2 4.45Å; C190-F194 HydrophobicContact CB-CE2 4.39Å; C190-F194 WeakPolarHBondContact O-CD2 3.46Å; C190-F194 PolarHBondContact O-N 2.98Å
191Q93Very high91.3Very high112 Ų11277.4 Ų77.452%0.52337%0.37SS..Hα-helixtrans-58.8-44.7177.8-72.8179-4.200112.2R187 D188 L189 V193 F194 L195R187-Q191 WeakPolarHBondContact O-CG 3.37Å; R187-Q191 PolarHBondContact O-N 3.36Å; D188-Q191 PolarHBondContact O-N 3Å; L189-Q191 PolarHBondContact O-N 2.89Å; Q191-V193 PolarHBondContact O-N 3.21Å; Q191-F194 PolarHBondContact O-N 3.39Å; Q191-L195 WeakPolarHBondContact O-CG 3.33Å; Q191-L195 PolarHBondContact O-N 3.34Å
192K93.3Very high90.5Very high87 Ų8778.4 Ų78.438%0.37838%0.377SS..Hα-helixtrans-57.6-48.1176.5-179178.4-79.8176.70110.7E146 D188 L189 C190 L195 I196E146-K192 IonicContact OE2-NZ 3.78Å; E146-K192 PolarHBondContact OE2-NZ 3.24Å; D188-K192 WeakPolarHBondContact O-CB 3.23Å; D188-K192 PolarHBondContact O-N 2.7Å; L189-K192 PolarHBondContact O-N 2.7Å; C190-K192 VanDerWaalsContact C-N 3.34Å; C190-K192 PolarHBondContact O-N 3.3Å; K192-L195 PolarHBondContact O-N 2.98Å; K192-I196 HydrophobicContact CG-CD1 4.19Å; K192-I196 WeakPolarHBondContact O-CG1 3.39Å; K192-I196 PolarHBondContact O-N 3.02Å; K192-I196 VanDerWaalsContact O-N 3.11Å
193V92.9Very high89.8Confident5 Ų581.1 Ų81.13%0.0339%0.392CS..Hα-helixtrans-65.6-42180178.10000111.9I134 Y137 L189 C190 Q191 L195 I196 Q197I134-V193 HydrophobicContact CB-CB 4.42Å; I134-V193 HydrophobicContact CB-CG1 4.28Å; I134-V193 HydrophobicContact CB-CG2 4.25Å; I134-V193 HydrophobicContact CG2-CB 3.81Å; I134-V193 HydrophobicContact CG2-CG1 3.72Å; I134-V193 HydrophobicContact CG2-CG2 4.15Å; Y137-V193 HydrophobicContact CD1-CG2 3.55Å; Y137-V193 HydrophobicContact CD2-CG2 3.97Å; Y137-V193 HydrophobicContact CE1-CG2 4.13Å; Y137-V193 HydrophobicContact CE2-CG2 4.49Å; Y137-V193 HydrophobicContact CG-CG2 3.47Å; Y137-V193 VanDerWaalsContact CG-CG2 3.47Å; L189-V193 HydrophobicContact CD1-CG2 4.38Å; L189-V193 WeakPolarHBondContact O-CG2 3.37Å; L189-V193 PolarHBondContact O-N 2.96Å; C190-V193 PolarHBondContact O-N 3.48Å; Q191-V193 PolarHBondContact O-N 3.21Å; V193-L195 VanDerWaalsContact C-N 3.33Å; V193-L195 PolarHBondContact O-N 3.43Å; V193-I196 PolarHBondContact O-N 3.32Å; V193-Q197 HydrophobicContact CG1-CG 4.42Å; V193-Q197 WeakPolarHBondContact O-CG 3.26Å; V193-Q197 PolarHBondContact O-N 2.95Å
194F91.7Very high89.2Confident117 Ų11778.3 Ų78.351%0.51338%0.377SS..Hα-helixtrans-63.1-36.9176.5-80.8-61.2000113.1C190 Q191 R198C190-F194 HydrophobicContact CB-CD2 4.45Å; C190-F194 HydrophobicContact CB-CE2 4.39Å; C190-F194 WeakPolarHBondContact O-CD2 3.46Å; C190-F194 PolarHBondContact O-N 2.98Å; Q191-F194 PolarHBondContact O-N 3.39Å; F194-R198 VanDerWaalsContact O-CB 3.31Å; F194-R198 WeakPolarHBondContact O-CB 3.49Å; F194-R198 PolarHBondContact O-N 2.69Å
195L89.2Confident88.3Confident116 Ų11680.8 Ų80.861%0.60739%0.388SS*.Hα-helixtrans-64.4-44.4174-75.2173000111.2Q191 K192 V193 R198 T199Q191-L195 WeakPolarHBondContact O-CG 3.33Å; Q191-L195 PolarHBondContact O-N 3.34Å; K192-L195 PolarHBondContact O-N 2.98Å; V193-L195 VanDerWaalsContact C-N 3.33Å; V193-L195 PolarHBondContact O-N 3.43Å; L195-R198 PolarHBondContact O-N 3.16Å; L195-T199 WeakPolarHBondContact O-CG2 3.43Å; L195-T199 PolarHBondContact O-N 3.35Å; L195-T199 PolarHBondContact O-OG1 3Å
196I89.6Confident87.2Confident57 Ų5783.9 Ų83.929%0.29241%0.405SS..Hα-helixtrans-58.7-52.5177-67.2166.3000110.2Y137 K192 V193 R198 T199 E200Y137-I196 HydrophobicContact CD2-CD1 4.3Å; Y137-I196 HydrophobicContact CE2-CD1 3.58Å; K192-I196 HydrophobicContact CG-CD1 4.19Å; K192-I196 WeakPolarHBondContact O-CG1 3.39Å; K192-I196 PolarHBondContact O-N 3.02Å; K192-I196 VanDerWaalsContact O-N 3.11Å; V193-I196 PolarHBondContact O-N 3.32Å; I196-R198 VanDerWaalsContact C-N 3.34Å; I196-R198 PolarHBondContact O-N 3.06Å; I196-T199 WeakPolarHBondContact CA-OG1 3.28Å; I196-T199 PolarHBondContact O-N 3.37Å; I196-T199 VanDerWaalsContact O-N 3.13Å; I196-T199 PolarHBondContact O-OG1 3.41Å; I196-E200 WeakPolarHBondContact O-CG 3.43Å; I196-E200 PolarHBondContact O-N 3.41Å
197Q89.6Confident86Confident76 Ų7687.8 Ų87.836%0.35542%0.423SS..Hα-helixtrans-57.3-45.5178.4-72.8176.4-12.200112V193 T199 E200 D201V193-Q197 HydrophobicContact CG1-CG 4.42Å; V193-Q197 WeakPolarHBondContact O-CG 3.26Å; V193-Q197 PolarHBondContact O-N 2.95Å; Q197-T199 VanDerWaalsContact C-N 3.34Å; Q197-T199 PolarHBondContact O-N 3.11Å; Q197-E200 PolarHBondContact O-N 2.91Å; Q197-D201 PolarHBondContact O-N 3.21Å
198R87.4Confident84.7Confident186 Ų18685.2 Ų85.270%0.70242%0.424SS*.Hα-helixtrans-63.3-39.1177.8-171.6175.4-177.11481.2112.4F194 L195 I196 E200 D201 V202F194-R198 VanDerWaalsContact O-CB 3.31Å; F194-R198 WeakPolarHBondContact O-CB 3.49Å; F194-R198 PolarHBondContact O-N 2.69Å; L195-R198 PolarHBondContact O-N 3.16Å; I196-R198 VanDerWaalsContact C-N 3.34Å; I196-R198 PolarHBondContact O-N 3.06Å; R198-E200 VanDerWaalsContact C-N 3.35Å; R198-D201 PolarHBondContact O-N 3.13Å; R198-V202 WeakPolarHBondContact O-CB 3.27Å; R198-V202 VanDerWaalsContact O-CG2 3.26Å; R198-V202 WeakPolarHBondContact O-CG2 3.44Å; R198-V202 PolarHBondContact O-N 3.35Å
199T82.8Confident83.3Confident83 Ų8385.7 Ų85.751%0.50943%0.43SS..Hα-helixtrans-66.9-37.3175.853.20000112L195 I196 Q197 T203L195-T199 WeakPolarHBondContact O-CG2 3.43Å; L195-T199 PolarHBondContact O-N 3.35Å; L195-T199 PolarHBondContact O-OG1 3Å; I196-T199 WeakPolarHBondContact CA-OG1 3.28Å; I196-T199 PolarHBondContact O-N 3.37Å; I196-T199 VanDerWaalsContact O-N 3.13Å; I196-T199 PolarHBondContact O-OG1 3.41Å; Q197-T199 VanDerWaalsContact C-N 3.34Å; Q197-T199 PolarHBondContact O-N 3.11Å; T199-T203 VanDerWaalsContact O-CG2 3.23Å; T199-T203 WeakPolarHBondContact O-CG2 3.3Å; T199-T203 PolarHBondContact O-N 3.21Å; T199-T203 PolarHBondContact O-OG1 3.36Å; T199-T203 VanDerWaalsContact O-OG1 3.08Å
200E86.6Confident81.8Confident92 Ų9290.4 Ų90.443%0.4345%0.447SS..Hα-helixtrans-66.5-39.7173.8-70.6179-173.700112.2I196 Q197 R198 T203 K204I196-E200 WeakPolarHBondContact O-CG 3.43Å; I196-E200 PolarHBondContact O-N 3.41Å; Q197-E200 PolarHBondContact O-N 2.91Å; R198-E200 VanDerWaalsContact C-N 3.35Å; E200-T203 WeakPolarHBondContact CA-OG1 3.44Å; E200-T203 PolarHBondContact O-N 2.89Å; E200-T203 PolarHBondContact O-OG1 3.34Å; E200-K204 WeakPolarHBondContact O-CB 2.84Å; E200-K204 WeakPolarHBondContact O-CG 3.43Å; E200-K204 PolarHBondContact O-N 3.2Å
201D83.7Confident80.3Confident85 Ų8593.8 Ų93.846%0.45546%0.462SS..Hα-helixtrans-67.8-41.6177.7-72-21.4000111.7Q197 R198 K204 Q205Q197-D201 PolarHBondContact O-N 3.21Å; R198-D201 PolarHBondContact O-N 3.13Å; D201-K204 PolarHBondContact O-N 3.29Å; D201-Q205 WeakPolarHBondContact O-CB 3.33Å; D201-Q205 VanDerWaalsContact O-CG 3.3Å; D201-Q205 WeakPolarHBondContact O-CG 3.28Å; D201-Q205 PolarHBondContact O-N 3.43Å
202V77.3Confident78.8Confident70 Ų7092.5 Ų92.542%0.42447%0.466SS..Hα-helixtrans-65.3-41.2175.7171.80000111R198 Q205 L206R198-V202 WeakPolarHBondContact O-CB 3.27Å; R198-V202 VanDerWaalsContact O-CG2 3.26Å; R198-V202 WeakPolarHBondContact O-CG2 3.44Å; R198-V202 PolarHBondContact O-N 3.35Å; V202-Q205 PolarHBondContact O-N 2.97Å; V202-L206 HydrophobicContact CG1-CD1 3.95Å; V202-L206 HydrophobicContact CG1-CG 4.35Å; V202-L206 WeakPolarHBondContact O-CB 3.45Å; V202-L206 VanDerWaalsContact O-CG 3.29Å; V202-L206 WeakPolarHBondContact O-CG 3.21Å; V202-L206 PolarHBondContact O-N 3.03Å
203T77.6Confident77.4Confident75 Ų7593.7 Ų93.746%0.4648%0.476SS..Hα-helixtrans-66.2-42.1177.154.30000111.6T199 E200 Q205 L206 Q207T199-T203 VanDerWaalsContact O-CG2 3.23Å; T199-T203 WeakPolarHBondContact O-CG2 3.3Å; T199-T203 PolarHBondContact O-N 3.21Å; T199-T203 PolarHBondContact O-OG1 3.36Å; T199-T203 VanDerWaalsContact O-OG1 3.08Å; E200-T203 WeakPolarHBondContact CA-OG1 3.44Å; E200-T203 PolarHBondContact O-N 2.89Å; E200-T203 PolarHBondContact O-OG1 3.34Å; T203-Q205 PolarHBondContact O-N 3.18Å; T203-L206 PolarHBondContact O-N 2.94Å; T203-Q207 WeakPolarHBondContact O-CB 3.38Å; T203-Q207 WeakPolarHBondContact O-CG 3.31Å; T203-Q207 PolarHBondContact O-N 3.37Å
204K79.5Confident76.2Confident110 Ų11097.9 Ų97.948%0.47849%0.492SS..Hα-helixtrans-61.1-41.2173.3-73.3168.8-172164.70112.4E200 D201 S208E200-K204 WeakPolarHBondContact O-CB 2.84Å; E200-K204 WeakPolarHBondContact O-CG 3.43Å; E200-K204 PolarHBondContact O-N 3.2Å; D201-K204 PolarHBondContact O-N 3.29Å; K204-S208 WeakPolarHBondContact O-CB 3.41Å; K204-S208 PolarHBondContact O-N 2.92Å; K204-S208 PolarHBondContact O-OG 2.98Å
205Q76.1Confident75.4Confident127 Ų12794.1 Ų94.159%0.59349%0.487SS*.Hα-helixtrans-66-46.2175.9-76177.814.300111.3D201 V202 T203 Q207 S208 T209D201-Q205 WeakPolarHBondContact O-CB 3.33Å; D201-Q205 VanDerWaalsContact O-CG 3.3Å; D201-Q205 WeakPolarHBondContact O-CG 3.28Å; D201-Q205 PolarHBondContact O-N 3.43Å; V202-Q205 PolarHBondContact O-N 2.97Å; T203-Q205 PolarHBondContact O-N 3.18Å; Q205-Q207 VanDerWaalsContact C-N 3.32Å; Q205-Q207 PolarHBondContact O-N 3.18Å; Q205-S208 WeakPolarHBondContact O-CB 3.45Å; Q205-S208 PolarHBondContact O-N 2.92Å; Q205-S208 VanDerWaalsContact O-N 3.11Å; Q205-T209 PolarHBondContact O-N 3.48Å; Q205-T209 PolarHBondContact O-OG1 2.93Å
206L69.9Low75.2Confident91 Ų9190.9 Ų90.948%0.47647%0.468SS..Hα-helixtrans-60.5-42176.9-75.3171.7000111.9V202 T203 T209 R210V202-L206 HydrophobicContact CG1-CD1 3.95Å; V202-L206 HydrophobicContact CG1-CG 4.35Å; V202-L206 WeakPolarHBondContact O-CB 3.45Å; V202-L206 VanDerWaalsContact O-CG 3.29Å; V202-L206 WeakPolarHBondContact O-CG 3.21Å; V202-L206 PolarHBondContact O-N 3.03Å; T203-L206 PolarHBondContact O-N 2.94Å; L206-T209 PolarHBondContact O-N 3.36Å; L206-R210 WeakPolarHBondContact O-CB 3.38Å; L206-R210 VanDerWaalsContact O-CG 3.24Å; L206-R210 WeakPolarHBondContact O-CG 3.38Å; L206-R210 PolarHBondContact O-N 3Å
207Q67.8Low75.1Confident122 Ų12289.7 Ų89.757%0.5746%0.464SS*.Hα-helixtrans-61.9-44.9173-75.5179.6-2000111.2T203 Q205 T209 R210 I211T203-Q207 WeakPolarHBondContact O-CB 3.38Å; T203-Q207 WeakPolarHBondContact O-CG 3.31Å; T203-Q207 PolarHBondContact O-N 3.37Å; Q205-Q207 VanDerWaalsContact C-N 3.32Å; Q205-Q207 PolarHBondContact O-N 3.18Å; Q207-T209 PolarHBondContact O-N 3.46Å; Q207-R210 PolarHBondContact O-N 3.25Å; Q207-I211 WeakPolarHBondContact O-CB 3.48Å; Q207-I211 WeakPolarHBondContact O-CD1 3.43Å; Q207-I211 VanDerWaalsContact O-CG1 3.24Å; Q207-I211 WeakPolarHBondContact O-CG1 3.34Å; Q207-I211 PolarHBondContact O-N 3.43Å
208S66.7Low75Confident75 Ų7587.5 Ų87.552%0.52445%0.454SS..Hα-helixtrans-61.4-43.6178.2-58.10000112.4K204 Q205 R210 I211 S212K204-S208 WeakPolarHBondContact O-CB 3.41Å; K204-S208 PolarHBondContact O-N 2.92Å; K204-S208 PolarHBondContact O-OG 2.98Å; Q205-S208 WeakPolarHBondContact O-CB 3.45Å; Q205-S208 PolarHBondContact O-N 2.92Å; Q205-S208 VanDerWaalsContact O-N 3.11Å; S208-R210 VanDerWaalsContact C-N 3.35Å; S208-I211 PolarHBondContact O-N 3.02Å; S208-S212 WeakPolarHBondContact O-CB 3.36Å; S208-S212 PolarHBondContact O-N 3.44Å; S208-S212 PolarHBondContact O-OG 3.37Å
209T65.1Low75.2Confident81 Ų8183.3 Ų83.350%0.49744%0.442SS..Hα-helixtrans-67.8-33.9177.9-47.40000112.4Q205 L206 Q207 S212 N213Q205-T209 PolarHBondContact O-N 3.48Å; Q205-T209 PolarHBondContact O-OG1 2.93Å; L206-T209 PolarHBondContact O-N 3.36Å; Q207-T209 PolarHBondContact O-N 3.46Å; T209-S212 WeakPolarHBondContact CA-OG 3.49Å; T209-S212 PolarHBondContact O-OG 2.96Å; T209-N213 PolarHBondContact O-N 2.92Å
210R63.2Low75.8Confident107 Ų10779.8 Ų79.840%0.40442%0.42SS..Hα-helixtrans-67.4-45.3174.8-75.2176.2-173-167.13.4111.4L206 Q207 S208 N213 Y214 V217 E219L206-R210 WeakPolarHBondContact O-CB 3.38Å; L206-R210 VanDerWaalsContact O-CG 3.24Å; L206-R210 WeakPolarHBondContact O-CG 3.38Å; L206-R210 PolarHBondContact O-N 3Å; Q207-R210 PolarHBondContact O-N 3.25Å; S208-R210 VanDerWaalsContact C-N 3.35Å; R210-N213 PolarHBondContact O-N 3.47Å; R210-Y214 PolarHBondContact O-N 3.42Å; R210-V217 HydrophobicContact CB-CG2 4.22Å; R210-E219 IonicContact NH1-OE2 2.7Å; R210-E219 PolarHBondContact NH1-OE2 2.9Å
211I62.7Low76.1Confident95 Ų9579.3 Ų79.349%0.48742%0.423SS..Hα-helixtrans-65-42.3178.5-67.8165.7000110.7Q207 S208 N213 Y214 G215Q207-I211 WeakPolarHBondContact O-CB 3.48Å; Q207-I211 WeakPolarHBondContact O-CD1 3.43Å; Q207-I211 VanDerWaalsContact O-CG1 3.24Å; Q207-I211 WeakPolarHBondContact O-CG1 3.34Å; Q207-I211 PolarHBondContact O-N 3.43Å; S208-I211 PolarHBondContact O-N 3.02Å; I211-N213 VanDerWaalsContact C-N 3.26Å; I211-N213 PolarHBondContact O-N 3.24Å; I211-Y214 PolarHBondContact O-N 2.96Å; I211-G215 WeakPolarHBondContact CG2-O 3.44Å; I211-G215 WeakPolarHBondContact O-CA 3.41Å; I211-G215 PolarHBondContact O-N 2.94Å
212S62.4Low76.6Confident86 Ų8675.2 Ų75.260%0.60140%0.401SS*.Hα-helixtrans-62.9-30.3-177.764.60000114S208 T209S208-S212 WeakPolarHBondContact O-CB 3.36Å; S208-S212 PolarHBondContact O-N 3.44Å; S208-S212 PolarHBondContact O-OG 3.37Å; T209-S212 WeakPolarHBondContact CA-OG 3.49Å; T209-S212 PolarHBondContact O-OG 2.96Å
213N64.7Low77.4Confident111 Ų11173.8 Ų73.859%0.59439%0.393SS*.Hα-helixtrans-89.4-27-176.4-72.9-1.9000113.6T209 R210 I211T209-N213 PolarHBondContact O-N 2.92Å; R210-N213 PolarHBondContact O-N 3.47Å; I211-N213 VanDerWaalsContact C-N 3.26Å; I211-N213 PolarHBondContact O-N 3.24Å
214Y66.4Low78Confident93 Ų9375.3 Ų75.337%0.36539%0.391SS..Hα-helixtrans-129.71.4-168.8-61.4-77.9000114.6R210 I211 H216 L248 Y266 A267R210-Y214 PolarHBondContact O-N 3.42Å; I211-Y214 PolarHBondContact O-N 2.96Å; Y214-H216 VanDerWaalsContact C-N 3.25Å; Y214-H216 PolarHBondContact O-N 3.08Å; Y214-L248 HydrophobicContact CD1-CD1 4.06Å; Y214-L248 WeakPolarHBondContact O-CD1 3.48Å; Y214-Y266 AromaticContact CD1-CD1 3.91Å; Y214-Y266 HydrophobicContact CD1-CD1 3.91Å; Y214-Y266 HydrophobicContact CD1-CG 4.08Å; Y214-Y266 AromaticContact CD2-CD1 3.48Å; Y214-Y266 HydrophobicContact CD2-CD1 3.48Å; Y214-Y266 VanDerWaalsContact CD2-CD1 3.48Å; Y214-Y266 AromaticContact CD2-CE1 3.82Å; Y214-Y266 HydrophobicContact CD2-CE1 3.82Å; Y214-Y266 HydrophobicContact CD2-CG 4.43Å; Y214-Y266 HydrophobicContact CE1-CD1 4.38Å; Y214-Y266 HydrophobicContact CE2-CD1 4.01Å; Y214-Y266 HydrophobicContact CE2-CE1 4.02Å; Y214-Y266 AromaticContact CG-CD1 3.43Å; Y214-Y266 HydrophobicContact CG-CD1 3.43Å; Y214-Y266 VanDerWaalsContact CG-CD1 3.43Å; Y214-Y266 HydrophobicContact CG-CE1 4.24Å; Y214-Y266 HydrophobicContact CG-CG 4.03Å; Y214-A267 CarbonylContact O-C 3.58Å
215G75.2Confident78.6Confident39 Ų3974.7 Ų74.740%0.40240%0.401SS..SBendtrans80.3-64.1-178.100000112.5I211I211-G215 WeakPolarHBondContact CG2-O 3.44Å; I211-G215 WeakPolarHBondContact O-CA 3.41Å; I211-G215 PolarHBondContact O-N 2.94Å
216H84.7Confident79.5Confident47 Ų4768.9 Ų68.922%0.21837%0.374CS..EExtended strand (participates in β ladder)trans-142.7143.5179.3-167.883.9000110.8Y214 E218 A267 A273Y214-H216 VanDerWaalsContact C-N 3.25Å; Y214-H216 PolarHBondContact O-N 3.08Å; H216-E218 IonicContact CD2-OE1 3.41Å; H216-E218 IonicContact CE1-OE1 2.59Å; H216-E218 IonicContact NE2-OE1 3.33Å; H216-E218 PolarHBondContact NE2-OE1 3.22Å; H216-A267 WeakPolarHBondContact CA-O 3.39Å; H216-A267 WeakPolarHBondContact CB-O 3.45Å; H216-A267 PolarHBondContact N-O 3.1Å; H216-A267 PolarHBondContact O-N 3.32Å; H216-A267 VanDerWaalsContact O-O 3.1Å; H216-A273 VanDerWaalsContact CD2-CB 3.43Å; H216-A273 WeakPolarHBondContact CD2-CB 3.5Å
217V87.4Confident80.5Confident32 Ų3265.5 Ų65.519%0.19436%0.356CS..EExtended strand (participates in β ladder)trans-131.5125.6179-1740000109.6R210 T264 I265 Y266R210-V217 HydrophobicContact CB-CG2 4.22Å; V217-T264 HydrophobicContact CG1-CG2 3.55Å; V217-I265 CarbonylContact C-O 3.58Å; V217-I265 VanDerWaalsContact CA-O 3.29Å; V217-I265 WeakPolarHBondContact CA-O 3.3Å; V217-Y266 HydrophobicContact CB-CD1 4.48Å; V217-Y266 HydrophobicContact CG1-CD1 4.11Å; V217-Y266 HydrophobicContact CG1-CE1 4Å; V217-Y266 HydrophobicContact CG2-CD1 3.62Å; V217-Y266 HydrophobicContact CG2-CE1 3.97Å
218E89Confident81.6Confident31 Ų3162.5 Ų62.515%0.14536%0.357CS..EExtended strand (participates in β ladder)trans-112.6132.5172.7-74-74.2156.700109.5H216 T264 I265 A273 R277H216-E218 IonicContact CD2-OE1 3.41Å; H216-E218 IonicContact CE1-OE1 2.59Å; H216-E218 IonicContact NE2-OE1 3.33Å; H216-E218 PolarHBondContact NE2-OE1 3.22Å; E218-T264 CarbonylContact O-C 3.56Å; E218-T264 WeakPolarHBondContact O-CA 3.44Å; E218-I265 HydrophobicContact CB-CB 4.37Å; E218-I265 PolarHBondContact N-O 3.36Å; E218-I265 PolarHBondContact O-N 3.13Å; E218-A273 HydrophobicContact CB-CB 4.3Å; E218-A273 HydrophobicContact CG-CB 3.57Å; E218-R277 IonicContact OE2-CZ 3.48Å; E218-R277 IonicContact OE2-NH1 3.57Å; E218-R277 PolarHBondContact OE2-NH1 3.27Å
219E91.5Very high82.9Confident98 Ų9861.7 Ų61.746%0.45835%0.347SS..EExtended strand (participates in β ladder)trans-124.7128.5177.8-169.5174.1166.900109.1R210 T262 F263R210-E219 IonicContact NH1-OE2 2.7Å; R210-E219 PolarHBondContact NH1-OE2 2.9Å; E219-T262 HydrophobicContact CG-CG2 3.53Å; E219-T262 WeakPolarHBondContact OE1-CG2 3.39Å; E219-F263 WeakPolarHBondContact CA-O 3.43Å
220F93.8Very high84.2Confident9 Ų957.8 Ų57.84%0.03932%0.323CS..EExtended strand (participates in β ladder)trans-147.7162.6177.462.9-84.2000111V222 T262 F263 I265 R277 L280 E281F220-V222 HydrophobicContact CD2-CG2 3.93Å; F220-V222 HydrophobicContact CE2-CG2 3.74Å; F220-T262 WeakPolarHBondContact O-CA 3.33Å; F220-F263 HydrophobicContact CD1-CB 4.22Å; F220-F263 HydrophobicContact CD2-CB 4.2Å; F220-F263 HydrophobicContact CD2-CD2 4.49Å; F220-F263 HydrophobicContact CE1-CB 3.66Å; F220-F263 HydrophobicContact CE2-CB 3.66Å; F220-F263 AromaticContact CE2-CD2 3.83Å; F220-F263 HydrophobicContact CE2-CD2 3.83Å; F220-F263 AromaticContact CE2-CG 3.85Å; F220-F263 HydrophobicContact CE2-CG 3.85Å; F220-F263 HydrophobicContact CG-CB 4.46Å; F220-F263 HydrophobicContact CZ-CB 3.34Å; F220-F263 HydrophobicContact CZ-CD1 4.39Å; F220-F263 HydrophobicContact CZ-CD2 4.24Å; F220-F263 AromaticContact CZ-CG 3.77Å; F220-F263 HydrophobicContact CZ-CG 3.77Å; F220-F263 PolarHBondContact N-O 3.42Å; F220-F263 PolarHBondContact O-N 3.41Å; F220-I265 HydrophobicContact CE1-CD1 3.6Å; F220-I265 HydrophobicContact CE1-CG1 4.03Å; F220-I265 HydrophobicContact CZ-CD1 4.23Å; F220-R277 HydrophobicContact CD1-CG 3.77Å; F220-R277 HydrophobicContact CE1-CB 4.22Å; F220-R277 HydrophobicContact CE1-CG 3.88Å; F220-R277 HydrophobicContact CG-CG 4.36Å; F220-L280 HydrophobicContact CE2-CB 4.11Å; F220-L280 HydrophobicContact CZ-CB 3.65Å; F220-E281 HydrophobicContact CB-CG 4.44Å; F220-E281 HydrophobicContact CD2-CB 3.86Å; F220-E281 HydrophobicContact CD2-CG 3.68Å; F220-E281 HydrophobicContact CE2-CB 3.88Å; F220-E281 HydrophobicContact CE2-CG 4.22Å; F220-E281 HydrophobicContact CG-CB 4.45Å; F220-E281 HydrophobicContact CG-CG 4.15Å; F220-E281 HydrophobicContact CZ-CB 4.5Å
221V94Very high85.6Confident81 Ų8154.9 Ų54.949%0.49132%0.315SS..EExtended strand (participates in β ladder)trans-118.5131.3-172.41790000109.7P260 V261V221-P260 HydrophobicContact CG1-CB 3.55Å; V221-P260 HydrophobicContact CG1-CG 4.27Å; V221-V261 WeakPolarHBondContact CA-O 3.42Å
222V94.1Very high86.9Confident0 Ų051 Ų510%030%0.298CS..EExtended strand (participates in β ladder)trans-112.8130.1177.2177.10000109.3F220 L226 M227 A230 V261 F263F220-V222 HydrophobicContact CD2-CG2 3.93Å; F220-V222 HydrophobicContact CE2-CG2 3.74Å; V222-L226 HydrophobicContact CG1-CB 4.19Å; V222-M227 HydrophobicContact CB-CE 4.26Å; V222-M227 HydrophobicContact CG1-CE 4.34Å; V222-A230 HydrophobicContact CG1-CB 4.07Å; V222-A230 HydrophobicContact CG2-CB 4.47Å; V222-V261 PolarHBondContact N-O 2.94Å; V222-V261 PolarHBondContact O-N 2.78Å; V222-F263 HydrophobicContact CB-CD2 4.21Å; V222-F263 HydrophobicContact CB-CE2 3.88Å; V222-F263 HydrophobicContact CG2-CD2 3.68Å; V222-F263 HydrophobicContact CG2-CE2 3.63Å
223P93.2Very high88.3Confident40 Ų4051.4 Ų51.426%0.2630%0.301SS..  trans-56.4139.4174-24.533.9000111.9S225 L226 M227P223-S225 PolarHBondContact O-N 3.48Å; P223-S225 VanDerWaalsContact O-N 3.13Å; P223-L226 HydrophobicContact CB-CD1 4.38Å; P223-L226 HydrophobicContact CB-CG 4.36Å; P223-L226 HydrophobicContact CG-CD1 4.12Å; P223-L226 PolarHBondContact O-N 3.05Å; P223-M227 PolarHBondContact O-N 2.91Å
224Y91.5Very high89.5Confident107 Ų10755.2 Ų55.242%0.4232%0.315SS..G310 helixtrans-53.8-38.7-178.4-174.4-98.3000112.9L226 M227 N258 V261Y224-L226 PolarHBondContact O-N 3.48Å; Y224-M227 VanDerWaalsContact O-CB 3.27Å; Y224-M227 WeakPolarHBondContact O-CB 3.5Å; Y224-M227 PolarHBondContact O-N 3.24Å; Y224-N258 HydrophobicContact CD1-CB 4.48Å; Y224-N258 WeakPolarHBondContact CD1-OD1 3.36Å; Y224-N258 WeakPolarHBondContact CE1-OD1 3.36Å; Y224-V261 HydrophobicContact CD2-CG2 4.47Å
225S92Very high90.6Very high97 Ų9751.3 Ų51.368%0.67830%0.303SS*.G310 helixtrans-63.1-20178580000114.4P223P223-S225 PolarHBondContact O-N 3.48Å; P223-S225 VanDerWaalsContact O-N 3.13Å
226L93.3Very high91.5Very high5 Ų552.3 Ų52.33%0.02630%0.304CS..G310 helixtrans-108-3-179.4-55.7-179.6000112.6V222 P223 Y224 G228 L229 A230 G283 D284 I339V222-L226 HydrophobicContact CG1-CB 4.19Å; P223-L226 HydrophobicContact CB-CD1 4.38Å; P223-L226 HydrophobicContact CB-CG 4.36Å; P223-L226 HydrophobicContact CG-CD1 4.12Å; P223-L226 PolarHBondContact O-N 3.05Å; Y224-L226 PolarHBondContact O-N 3.48Å; L226-G228 VanDerWaalsContact C-N 3.25Å; L226-G228 PolarHBondContact O-N 3.33Å; L226-L229 HydrophobicContact CD2-CD1 4.1Å; L226-L229 WeakPolarHBondContact O-CB 3.47Å; L226-L229 PolarHBondContact O-N 3.18Å; L226-A230 PolarHBondContact O-N 3.41Å; L226-A230 VanDerWaalsContact O-N 3.13Å; L226-G283 WeakPolarHBondContact CD1-O 3.44Å; L226-D284 HydrophobicContact CD1-CB 4.21Å; L226-I339 HydrophobicContact CD1-CG2 4.43Å; L226-I339 HydrophobicContact CD2-CG2 3.55Å
227M91.4Very high91.9Very high20 Ų2051 Ų5110%0.09930%0.299CS..Hα-helixtrans-54-41.4179.1-179.252.254.400112.5V222 P223 Y224 L229 A230 I231 V261 F263V222-M227 HydrophobicContact CB-CE 4.26Å; V222-M227 HydrophobicContact CG1-CE 4.34Å; P223-M227 PolarHBondContact O-N 2.91Å; Y224-M227 VanDerWaalsContact O-CB 3.27Å; Y224-M227 WeakPolarHBondContact O-CB 3.5Å; Y224-M227 PolarHBondContact O-N 3.24Å; M227-L229 PolarHBondContact O-N 3.46Å; M227-A230 PolarHBondContact O-N 3.17Å; M227-A230 VanDerWaalsContact O-N 3.13Å; M227-I231 HydrophobicContact CG-CG1 4.18Å; M227-I231 WeakPolarHBondContact O-CG1 3.38Å; M227-I231 PolarHBondContact O-N 2.91Å; M227-I231 HydrophobicContact SD-CD1 3.98Å; M227-I231 HydrophobicContact SD-CG1 3.53Å; M227-I231 VanDerWaalsContact SD-CG1 3.53Å; M227-V261 HydrophobicContact CE-CB 3.19Å; M227-V261 HydrophobicContact CE-CG1 3.4Å; M227-V261 VanDerWaalsContact CE-CG1 3.4Å; M227-V261 HydrophobicContact CE-CG2 3.54Å; M227-F263 HydrophobicContact CE-CE2 3.5Å; M227-F263 HydrophobicContact CE-CZ 3.87Å; M227-F263 HydrophobicContact SD-CE2 3.96Å; M227-F263 HydrophobicContact SD-CZ 3.68Å
228G91.5Very high92.2Very high58 Ų5850.3 Ų50.360%0.59829%0.293SS*.Hα-helixtrans-61-29.117800000113.8L226 G232L226-G228 VanDerWaalsContact C-N 3.25Å; L226-G228 PolarHBondContact O-N 3.33Å; G228-G232 WeakPolarHBondContact O-CA 3.09Å; G228-G232 PolarHBondContact O-N 3.02Å; G228-G232 VanDerWaalsContact O-N 3.07Å
229L93.5Very high92.5Very high58 Ų5853.9 Ų53.930%0.30431%0.31SS..Hα-helixtrans-77.6-43.1173.8-62.3172.1000111L226 M227 I231 G232 Y282 V315 I339L226-L229 HydrophobicContact CD2-CD1 4.1Å; L226-L229 WeakPolarHBondContact O-CB 3.47Å; L226-L229 PolarHBondContact O-N 3.18Å; M227-L229 PolarHBondContact O-N 3.46Å; L229-I231 PolarHBondContact O-N 2.96Å; L229-G232 PolarHBondContact O-N 2.79Å; L229-Y282 HydrophobicContact CB-CD1 3.63Å; L229-Y282 HydrophobicContact CB-CD2 4.38Å; L229-Y282 HydrophobicContact CB-CE1 3.67Å; L229-Y282 HydrophobicContact CB-CE2 4.41Å; L229-Y282 HydrophobicContact CB-CG 4Å; L229-Y282 HydrophobicContact CD1-CD1 4.06Å; L229-Y282 HydrophobicContact CD1-CE1 4.33Å; L229-Y282 HydrophobicContact CG-CD1 4.48Å; L229-Y282 WeakPolarHBondContact O-CE2 3.41Å; L229-V315 HydrophobicContact CD1-CG1 4.43Å; L229-V315 HydrophobicContact CD1-CG2 4.41Å; L229-I339 HydrophobicContact CD1-CG2 4.26Å
230A93.3Very high92.6Very high0 Ų054.9 Ų54.90%032%0.315CS..Hα-helixtrans-62.2-42.3178.200000112.8V222 L226 M227 N237 F263 L280 Y282V222-A230 HydrophobicContact CG1-CB 4.07Å; V222-A230 HydrophobicContact CG2-CB 4.47Å; L226-A230 PolarHBondContact O-N 3.41Å; L226-A230 VanDerWaalsContact O-N 3.13Å; M227-A230 PolarHBondContact O-N 3.17Å; M227-A230 VanDerWaalsContact O-N 3.13Å; A230-N237 WeakPolarHBondContact O-CB 3.18Å; A230-N237 PolarHBondContact O-ND2 3.4Å; A230-F263 HydrophobicContact CB-CE2 4.33Å; A230-F263 HydrophobicContact CB-CZ 4.11Å; A230-L280 WeakPolarHBondContact CB-O 3.47Å; A230-L280 WeakPolarHBondContact O-CD2 3.47Å; A230-Y282 VanDerWaalsContact CA-CD2 3.44Å; A230-Y282 HydrophobicContact CB-CD2 3.83Å
231I92.7Very high92.7Very high45 Ų4554.5 Ų54.523%0.23131%0.313CS..Hα-helixtrans-75.1-37.3175.5-62-61.7000111.3M227 L229 G235 S236 N237 I238 F263M227-I231 HydrophobicContact CG-CG1 4.18Å; M227-I231 WeakPolarHBondContact O-CG1 3.38Å; M227-I231 PolarHBondContact O-N 2.91Å; M227-I231 HydrophobicContact SD-CD1 3.98Å; M227-I231 HydrophobicContact SD-CG1 3.53Å; M227-I231 VanDerWaalsContact SD-CG1 3.53Å; L229-I231 PolarHBondContact O-N 2.96Å; I231-G235 CarbonylContact O-C 3.15Å; I231-G235 WeakPolarHBondContact O-CA 3.36Å; I231-S236 PolarHBondContact O-N 2.71Å; I231-N237 WeakPolarHBondContact O-CB 3.37Å; I231-N237 PolarHBondContact O-N 3.32Å; I231-I238 HydrophobicContact CD1-CB 4.17Å; I231-I238 HydrophobicContact CD1-CD1 3.74Å; I231-I238 HydrophobicContact CD1-CG2 4.28Å; I231-I238 HydrophobicContact CG2-CG2 4.05Å; I231-I238 PolarHBondContact O-N 2.94Å; I231-I238 VanDerWaalsContact O-N 3.14Å; I231-F263 HydrophobicContact CD1-CE1 4.13Å; I231-F263 HydrophobicContact CD1-CZ 4.01Å
232G90.3Very high92.7Very high14 Ų1456.5 Ų56.514%0.14431%0.312CS..  trans80.6163.2-174.900000113.1G228 L229 H234 G235G228-G232 WeakPolarHBondContact O-CA 3.09Å; G228-G232 PolarHBondContact O-N 3.02Å; G228-G232 VanDerWaalsContact O-N 3.07Å; L229-G232 PolarHBondContact O-N 2.79Å; G232-H234 PolarHBondContact O-N 3.23Å; G232-G235 PolarHBondContact O-N 3.44Å
233S91.2Very high92.8Very high95 Ų9563.9 Ų63.966%0.66435%0.346SS*.G310 helixtrans-58.4120.917552.40000110.2G235 S236S233-G235 PolarHBondContact O-N 3.35Å; S233-S236 PolarHBondContact O-N 3.21Å; S233-S236 PolarHBondContact O-OG 3.19Å
234H88.6Confident92.8Very high190 Ų19062.6 Ų62.688%0.8834%0.338SS*.G310 helixtrans60.322.6-174.4-52.9-74.8000115.1G232 S236G232-H234 PolarHBondContact O-N 3.23Å; H234-S236 VanDerWaalsContact C-N 3.33Å
235G90.2Very high92.9Very high11 Ų1166.2 Ų66.211%0.11336%0.358CS..G310 helixtrans7816.4-179.900000114.2I231 G232 S233 N237 I238 Q239I231-G235 CarbonylContact O-C 3.15Å; I231-G235 WeakPolarHBondContact O-CA 3.36Å; G232-G235 PolarHBondContact O-N 3.44Å; S233-G235 PolarHBondContact O-N 3.35Å; G235-N237 VanDerWaalsContact C-N 3.25Å; G235-N237 PolarHBondContact O-N 3.33Å; G235-I238 WeakPolarHBondContact O-CG2 3.45Å; G235-I238 PolarHBondContact O-N 3.39Å; G235-Q239 VanDerWaalsContact O-CB 3.31Å; G235-Q239 WeakPolarHBondContact O-CB 3.36Å; G235-Q239 WeakPolarHBondContact O-CG 3.33Å; G235-Q239 PolarHBondContact O-N 2.98Å
236S94.6Very high92.9Very high60 Ų6062.5 Ų62.542%0.4234%0.335SS..Hα-helixtrans-57-38.8-177.361.50000113I231 S233 H234 Q240I231-S236 PolarHBondContact O-N 2.71Å; S233-S236 PolarHBondContact O-N 3.21Å; S233-S236 PolarHBondContact O-OG 3.19Å; H234-S236 VanDerWaalsContact C-N 3.33Å; S236-Q240 WeakPolarHBondContact O-CB 3.44Å; S236-Q240 PolarHBondContact O-N 3.07Å
237N93.2Very high92.9Very high20 Ų2063.2 Ų63.211%0.10734%0.34CS..Hα-helixtrans-78.6-43.3-173.7-161.556.3000111.5A230 I231 G235 Q239 Q240 A241 I279A230-N237 WeakPolarHBondContact O-CB 3.18Å; A230-N237 PolarHBondContact O-ND2 3.4Å; I231-N237 WeakPolarHBondContact O-CB 3.37Å; I231-N237 PolarHBondContact O-N 3.32Å; G235-N237 VanDerWaalsContact C-N 3.25Å; G235-N237 PolarHBondContact O-N 3.33Å; N237-Q239 VanDerWaalsContact C-N 3.3Å; N237-Q239 PolarHBondContact O-N 3.36Å; N237-Q240 PolarHBondContact O-N 3.37Å; N237-A241 PolarHBondContact O-N 2.87Å; N237-I279 PolarHBondContact ND2-O 3.4Å; N237-I279 WeakPolarHBondContact OD1-CG2 3.3Å
238I93.8Very high92.9Very high17 Ų1766.3 Ų66.39%0.08736%0.356CS..Hα-helixtrans-63.7-35.9171.3-170.1168.3000112.1I231 G235 A241 R242 V252 F263 L280I231-I238 HydrophobicContact CD1-CB 4.17Å; I231-I238 HydrophobicContact CD1-CD1 3.74Å; I231-I238 HydrophobicContact CD1-CG2 4.28Å; I231-I238 HydrophobicContact CG2-CG2 4.05Å; I231-I238 PolarHBondContact O-N 2.94Å; I231-I238 VanDerWaalsContact O-N 3.14Å; G235-I238 WeakPolarHBondContact O-CG2 3.45Å; G235-I238 PolarHBondContact O-N 3.39Å; I238-A241 PolarHBondContact O-N 3.49Å; I238-R242 WeakPolarHBondContact O-CB 3.32Å; I238-R242 WeakPolarHBondContact O-CG 3.46Å; I238-R242 PolarHBondContact O-N 2.82Å; I238-V252 HydrophobicContact CD1-CG2 3.72Å; I238-F263 HydrophobicContact CD1-CE1 4.38Å; I238-L280 HydrophobicContact CB-CD2 4.32Å
239Q94.9Very high92.9Very high107 Ų10767 Ų6750%0.535%0.346SS..Hα-helixtrans-64.6-45.4172.7-75.3175.71.700111.1G235 N237 A241 R242 H243G235-Q239 VanDerWaalsContact O-CB 3.31Å; G235-Q239 WeakPolarHBondContact O-CB 3.36Å; G235-Q239 WeakPolarHBondContact O-CG 3.33Å; G235-Q239 PolarHBondContact O-N 2.98Å; N237-Q239 VanDerWaalsContact C-N 3.3Å; N237-Q239 PolarHBondContact O-N 3.36Å; Q239-A241 VanDerWaalsContact C-N 3.3Å; Q239-A241 PolarHBondContact O-N 3.39Å; Q239-R242 PolarHBondContact O-N 3.3Å; Q239-H243 PolarHBondContact O-N 2.97Å; Q239-H243 PolarHBondContact O-ND1 3.49Å
240Q94.5Very high92.9Very high119 Ų11964.2 Ų64.256%0.55633%0.332SS*.Hα-helixtrans-58.7-43.5177-172.8179.8-7.100111.8S236 N237 H243 V244 I279S236-Q240 WeakPolarHBondContact O-CB 3.44Å; S236-Q240 PolarHBondContact O-N 3.07Å; N237-Q240 PolarHBondContact O-N 3.37Å; Q240-H243 PolarHBondContact O-N 2.95Å; Q240-V244 PolarHBondContact O-N 3.3Å; Q240-I279 HydrophobicContact CG-CD1 4.26Å
241A95.2Very high92.8Very high0 Ų067.6 Ų67.60%035%0.347CS..Hα-helixtrans-64-38.6176.300000112.8N237 I238 Q239 H243 V244 I250 A276 I279 L280N237-A241 PolarHBondContact O-N 2.87Å; I238-A241 PolarHBondContact O-N 3.49Å; Q239-A241 VanDerWaalsContact C-N 3.3Å; Q239-A241 PolarHBondContact O-N 3.39Å; A241-H243 VanDerWaalsContact C-N 3.3Å; A241-H243 PolarHBondContact O-N 3.35Å; A241-V244 WeakPolarHBondContact O-CB 3.39Å; A241-V244 WeakPolarHBondContact O-CG2 3.25Å; A241-V244 PolarHBondContact O-N 3.08Å; A241-I250 HydrophobicContact CB-CD1 3.62Å; A241-A276 HydrophobicContact CB-CB 4.25Å; A241-I279 HydrophobicContact CB-CB 4.27Å; A241-I279 HydrophobicContact CB-CD1 4.45Å; A241-I279 HydrophobicContact CB-CG2 4.13Å; A241-L280 HydrophobicContact CB-CD1 3.54Å; A241-L280 HydrophobicContact CB-CD2 3.77Å; A241-L280 HydrophobicContact CB-CG 3.54Å
242R94.5Very high92.8Very high123 Ų12367.7 Ų67.746%0.46435%0.35SS..Hα-helixtrans-67.9-26174.8-76.3179.9174.8175.6-1.9114I238 Q239 V244 I250I238-R242 WeakPolarHBondContact O-CB 3.32Å; I238-R242 WeakPolarHBondContact O-CG 3.46Å; I238-R242 PolarHBondContact O-N 2.82Å; Q239-R242 PolarHBondContact O-N 3.3Å; R242-V244 VanDerWaalsContact C-N 3.33Å; R242-I250 HydrophobicContact CG-CB 4.16Å; R242-I250 HydrophobicContact CG-CD1 3.89Å; R242-I250 HydrophobicContact CG-CG1 3.98Å; R242-I250 PolarHBondContact NH2-O 3.5Å
243H94.7Very high92.8Very high156 Ų15671.9 Ų71.972%0.72236%0.364SS*.THydrogen-bonded Turntrans-89.23.7177.1-70.685.1000113.1Q239 Q240 A241 E245Q239-H243 PolarHBondContact O-N 2.97Å; Q239-H243 PolarHBondContact O-ND1 3.49Å; Q240-H243 PolarHBondContact O-N 2.95Å; A241-H243 VanDerWaalsContact C-N 3.3Å; A241-H243 PolarHBondContact O-N 3.35Å; H243-E245 PolarHBondContact O-N 3.4Å
244V94.4Very high92.5Very high13 Ų1373.7 Ų73.78%0.07936%0.362CS..SBendtrans-64.6125.4172173.60000108.8Q240 A241 R242 G246 V247 K275 A276 I279Q240-V244 PolarHBondContact O-N 3.3Å; A241-V244 WeakPolarHBondContact O-CB 3.39Å; A241-V244 WeakPolarHBondContact O-CG2 3.25Å; A241-V244 PolarHBondContact O-N 3.08Å; R242-V244 VanDerWaalsContact C-N 3.33Å; V244-G246 PolarHBondContact O-N 3.25Å; V244-V247 HydrophobicContact CB-CG2 3.73Å; V244-V247 HydrophobicContact CG1-CG2 3.96Å; V244-V247 WeakPolarHBondContact O-CB 3.47Å; V244-V247 PolarHBondContact O-N 3.39Å; V244-K275 HydrophobicContact CG1-CB 4.04Å; V244-K275 HydrophobicContact CG1-CD 3.87Å; V244-K275 HydrophobicContact CG1-CG 3.95Å; V244-K275 HydrophobicContact CG2-CG 4.35Å; V244-A276 HydrophobicContact CB-CB 4.39Å; V244-A276 HydrophobicContact CG2-CB 4.29Å; V244-I279 HydrophobicContact CG2-CD1 3.76Å
245E93.5Very high92.1Very high183 Ų18368.5 Ų68.586%0.85535%0.345SS*.THydrogen-bonded Turntrans-54.7126.7178-172.9177.1-176.100111H243 A272H243-E245 PolarHBondContact O-N 3.4Å; E245-A272 WeakPolarHBondContact O-CB 3.36Å
246G91.6Very high91.6Very high19 Ų1969.5 Ų69.520%0.19636%0.356CS..THydrogen-bonded Turntrans91.1-6.5-176.700000115V244 A267 E268V244-G246 PolarHBondContact O-N 3.25Å; G246-A267 CarbonylContact O-C 3.59Å; G246-A267 WeakPolarHBondContact O-CA 3.5Å; G246-A267 VanDerWaalsContact O-CB 3.29Å; G246-A267 WeakPolarHBondContact O-CB 3.47Å; G246-E268 PolarHBondContact O-N 3.29Å
247V92.9Very high90.9Very high20 Ų2073.8 Ų73.812%0.12137%0.374CS..EExtended strand (participates in β ladder)trans-79.9125.3170.3177.80000109.7V244 I250 I265 A267 A272 A276V244-V247 HydrophobicContact CB-CG2 3.73Å; V244-V247 HydrophobicContact CG1-CG2 3.96Å; V244-V247 WeakPolarHBondContact O-CB 3.47Å; V244-V247 PolarHBondContact O-N 3.39Å; V247-I250 HydrophobicContact CG1-CD1 4.19Å; V247-I250 HydrophobicContact CG1-CG1 3.84Å; V247-I265 HydrophobicContact CG1-CG2 4.25Å; V247-I265 HydrophobicContact CG2-CG2 4.47Å; V247-A267 HydrophobicContact CG2-CB 4.31Å; V247-A272 HydrophobicContact CG2-CB 4.41Å; V247-A276 HydrophobicContact CG2-CB 3.65Å
248L91Very high90.3Very high84 Ų8478.9 Ų78.944%0.4440%0.401SS..EExtended strand (participates in β ladder)trans-88-47.2179.4-63.1174.1000111.2Y214 Y266 E268Y214-L248 HydrophobicContact CD1-CD1 4.06Å; Y214-L248 WeakPolarHBondContact O-CD1 3.48Å; L248-Y266 PolarHBondContact N-O 3.48Å; L248-E268 HydrophobicContact CD1-CG 4.13Å; L248-E268 HydrophobicContact CD2-CG 3.73Å; L248-E268 HydrophobicContact CG-CG 3.94Å
249D91.8Very high89.9Confident72 Ų7282.5 Ų82.539%0.38542%0.418SS..EExtended strand (participates in β ladder)trans-159.3159.2178.6-161.38.4000111.9Y266D249-Y266 HydrophobicContact CB-CD2 4.17Å; D249-Y266 PolarHBondContact N-O 3.45Å; D249-Y266 PolarHBondContact O-N 2.96Å
250I92.9Very high89.6Confident0 Ų080.9 Ų80.90%042%0.416CS..EExtended strand (participates in β ladder)trans-131.8109.9171.5-53.9-176.2000108.6A241 R242 V247 F263 T264 I265 A276 L280A241-I250 HydrophobicContact CB-CD1 3.62Å; R242-I250 HydrophobicContact CG-CB 4.16Å; R242-I250 HydrophobicContact CG-CD1 3.89Å; R242-I250 HydrophobicContact CG-CG1 3.98Å; R242-I250 PolarHBondContact NH2-O 3.5Å; V247-I250 HydrophobicContact CG1-CD1 4.19Å; V247-I250 HydrophobicContact CG1-CG1 3.84Å; I250-F263 HydrophobicContact CG2-CD1 4.15Å; I250-T264 CarbonylContact C-O 3.48Å; I250-T264 WeakPolarHBondContact CA-O 3.2Å; I250-I265 HydrophobicContact CD1-CG1 4.29Å; I250-I265 HydrophobicContact CG1-CG1 4.16Å; I250-I265 HydrophobicContact CG1-CG2 4.36Å; I250-I265 HydrophobicContact CG2-CG1 4.17Å; I250-A276 HydrophobicContact CD1-CB 4.36Å; I250-L280 HydrophobicContact CD1-CD1 3.77Å; I250-L280 HydrophobicContact CG2-CD1 4.02Å
251E91.8Very high89.5Confident71 Ų7175.3 Ų75.333%0.33239%0.39SS..EExtended strand (participates in β ladder)trans-89.6139.5173.2-73.1179.8164.200110.5F263 T264 Y266E251-F263 WeakPolarHBondContact O-CA 3.46Å; E251-T264 PolarHBondContact N-O 2.59Å; E251-T264 PolarHBondContact O-N 3.1Å; E251-Y266 HydrophobicContact CB-CE2 4.2Å; E251-Y266 HydrophobicContact CG-CE2 3.75Å; E251-Y266 WeakPolarHBondContact OE2-CE2 3.45Å; E251-Y266 PolarHBondContact OE2-OH 3.16Å
252V92.5Very high89.4Confident47 Ų4776.6 Ų76.629%0.28540%0.398SS..EExtended strand (participates in β ladder)trans-120.6117.6175.3-172.10000107.7I238 V261 F263I238-V252 HydrophobicContact CD1-CG2 3.72Å; V252-V261 HydrophobicContact CG1-CG1 3.39Å; V252-F263 HydrophobicContact CB-CE1 4.42Å; V252-F263 HydrophobicContact CG1-CD1 4.47Å; V252-F263 HydrophobicContact CG1-CE1 4.11Å; V252-F263 HydrophobicContact CG1-CZ 4.14Å; V252-F263 HydrophobicContact CG2-CD1 3.68Å; V252-F263 HydrophobicContact CG2-CE1 3.48Å; V252-F263 VanDerWaalsContact CG2-CE1 3.48Å; V252-F263 HydrophobicContact CG2-CZ 4.3Å
253K89.9Confident89.4Confident103 Ų10370.7 Ų70.745%0.44838%0.376SS..EExtended strand (participates in β ladder)trans-107.9111.8-179.3-68.2179.2-176.7171.50109.7P255 V261 T262K253-P255 VanDerWaalsContact O-CD 3.28Å; K253-P255 WeakPolarHBondContact O-CD 3.42Å; K253-V261 WeakPolarHBondContact O-CG1 3.22Å; K253-T262 PolarHBondContact N-O 3.26Å; K253-T262 PolarHBondContact O-N 3.4Å
254E86.6Confident89.3Confident133 Ų13363.3 Ų63.362%0.62134%0.342SS*.  trans-99.2102.3177.1-64.3178.7-167.100109G256 V261E254-G256 PolarHBondContact O-N 2.96Å; E254-V261 HydrophobicContact CG-CG1 3.8Å; E254-V261 HydrophobicContact CG-CG2 3.98Å
255P79.4Confident89.2Confident80 Ų8062.7 Ų62.752%0.51934%0.338SS..  trans-75.2-10.8-174.629.2-34000113.9K253 Q259 P260K253-P255 VanDerWaalsContact O-CD 3.28Å; K253-P255 WeakPolarHBondContact O-CD 3.42Å; P255-Q259 HydrophobicContact CG-CB 3.81Å; P255-P260 WeakPolarHBondContact CD-O 3.48Å; P255-P260 WeakPolarHBondContact CG-O 3.48Å
256G80.1Confident89.1Confident32 Ų3255 Ų5533%0.3330%0.302SS..SBendtrans161.9178.917500000113E254 N258 Q259E254-G256 PolarHBondContact O-N 2.96Å; G256-N258 PolarHBondContact O-N 2.94Å; G256-Q259 PolarHBondContact O-N 3.28Å
257D78.6Confident89.1Confident151 Ų15154.1 Ų54.181%0.80729%0.292SS*.THydrogen-bonded Turntrans-60.3133.4178.2-70.5-23.7000111.5Q259D257-Q259 PolarHBondContact O-N 3.23Å
258N81.3Confident88.9Confident127 Ų12759.1 Ų59.168%0.67931%0.314SS*.THydrogen-bonded Turntrans58.211.9-179.6-64.9-24.1000116Y224 G256Y224-N258 HydrophobicContact CD1-CB 4.48Å; Y224-N258 WeakPolarHBondContact CD1-OD1 3.36Å; Y224-N258 WeakPolarHBondContact CE1-OD1 3.36Å; G256-N258 PolarHBondContact O-N 2.94Å
259Q86.3Confident88.8Confident93 Ų9358 Ų5844%0.43531%0.311SS..  trans-87.3149.1175.4-67.9-168.60.500111.2P255 G256 D257P255-Q259 HydrophobicContact CG-CB 3.81Å; G256-Q259 PolarHBondContact O-N 3.28Å; D257-Q259 PolarHBondContact O-N 3.23Å
260P88.8Confident88.7Confident72 Ų7257.5 Ų57.547%0.46831%0.312SS..  trans-61.4142.6173.631.2-37.2000109.6V221 P255V221-P260 HydrophobicContact CG1-CB 3.55Å; V221-P260 HydrophobicContact CG1-CG 4.27Å; P255-P260 WeakPolarHBondContact CD-O 3.48Å; P255-P260 WeakPolarHBondContact CG-O 3.48Å
261V91.2Very high88.7Confident2 Ų265.1 Ų65.11%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-107.7137.3-169.3175.50000109.1V221 V222 Y224 M227 V252 K253 E254 F263V221-V261 WeakPolarHBondContact CA-O 3.42Å; V222-V261 PolarHBondContact N-O 2.94Å; V222-V261 PolarHBondContact O-N 2.78Å; Y224-V261 HydrophobicContact CD2-CG2 4.47Å; M227-V261 HydrophobicContact CE-CB 3.19Å; M227-V261 HydrophobicContact CE-CG1 3.4Å; M227-V261 VanDerWaalsContact CE-CG1 3.4Å; M227-V261 HydrophobicContact CE-CG2 3.54Å; V252-V261 HydrophobicContact CG1-CG1 3.39Å; K253-V261 WeakPolarHBondContact O-CG1 3.22Å; E254-V261 HydrophobicContact CG-CG1 3.8Å; E254-V261 HydrophobicContact CG-CG2 3.98Å; V261-F263 HydrophobicContact CG1-CE2 4.48Å
262T93.1Very high88.8Confident27 Ų2762 Ų6217%0.16633%0.333CS..EExtended strand (participates in β ladder)trans-97.2125.7-177.7-56.40000110.2E219 F220 K253E219-T262 HydrophobicContact CG-CG2 3.53Å; E219-T262 WeakPolarHBondContact OE1-CG2 3.39Å; F220-T262 WeakPolarHBondContact O-CA 3.33Å; K253-T262 PolarHBondContact N-O 3.26Å; K253-T262 PolarHBondContact O-N 3.4Å
263F94.2Very high88.8Confident0 Ų059.7 Ų59.70%032%0.32CS..EExtended strand (participates in β ladder)trans-98.3133169.7-74.6-96.6000109.6E219 F220 V222 M227 A230 I231 I238 I250 E251 V252 V261 L280E219-F263 WeakPolarHBondContact CA-O 3.43Å; F220-F263 HydrophobicContact CD1-CB 4.22Å; F220-F263 HydrophobicContact CD2-CB 4.2Å; F220-F263 HydrophobicContact CD2-CD2 4.49Å; F220-F263 HydrophobicContact CE1-CB 3.66Å; F220-F263 HydrophobicContact CE2-CB 3.66Å; F220-F263 AromaticContact CE2-CD2 3.83Å; F220-F263 HydrophobicContact CE2-CD2 3.83Å; F220-F263 AromaticContact CE2-CG 3.85Å; F220-F263 HydrophobicContact CE2-CG 3.85Å; F220-F263 HydrophobicContact CG-CB 4.46Å; F220-F263 HydrophobicContact CZ-CB 3.34Å; F220-F263 HydrophobicContact CZ-CD1 4.39Å; F220-F263 HydrophobicContact CZ-CD2 4.24Å; F220-F263 AromaticContact CZ-CG 3.77Å; F220-F263 HydrophobicContact CZ-CG 3.77Å; F220-F263 PolarHBondContact N-O 3.42Å; F220-F263 PolarHBondContact O-N 3.41Å; V222-F263 HydrophobicContact CB-CD2 4.21Å; V222-F263 HydrophobicContact CB-CE2 3.88Å; V222-F263 HydrophobicContact CG2-CD2 3.68Å; V222-F263 HydrophobicContact CG2-CE2 3.63Å; M227-F263 HydrophobicContact CE-CE2 3.5Å; M227-F263 HydrophobicContact CE-CZ 3.87Å; M227-F263 HydrophobicContact SD-CE2 3.96Å; M227-F263 HydrophobicContact SD-CZ 3.68Å; A230-F263 HydrophobicContact CB-CE2 4.33Å; A230-F263 HydrophobicContact CB-CZ 4.11Å; I231-F263 HydrophobicContact CD1-CE1 4.13Å; I231-F263 HydrophobicContact CD1-CZ 4.01Å; I238-F263 HydrophobicContact CD1-CE1 4.38Å; I250-F263 HydrophobicContact CG2-CD1 4.15Å; E251-F263 WeakPolarHBondContact O-CA 3.46Å; V252-F263 HydrophobicContact CB-CE1 4.42Å; V252-F263 HydrophobicContact CG1-CD1 4.47Å; V252-F263 HydrophobicContact CG1-CE1 4.11Å; V252-F263 HydrophobicContact CG1-CZ 4.14Å; V252-F263 HydrophobicContact CG2-CD1 3.68Å; V252-F263 HydrophobicContact CG2-CE1 3.48Å; V252-F263 VanDerWaalsContact CG2-CE1 3.48Å; V252-F263 HydrophobicContact CG2-CZ 4.3Å; V261-F263 HydrophobicContact CG1-CE2 4.48Å; F263-L280 HydrophobicContact CD1-CD1 4.1Å; F263-L280 HydrophobicContact CE1-CD1 4.32Å
264T92.6Very high89Confident1 Ų161 Ų611%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-119.4115.9171.5-48.60000108.9V217 E218 I250 E251 Y266V217-T264 HydrophobicContact CG1-CG2 3.55Å; E218-T264 CarbonylContact O-C 3.56Å; E218-T264 WeakPolarHBondContact O-CA 3.44Å; I250-T264 CarbonylContact C-O 3.48Å; I250-T264 WeakPolarHBondContact CA-O 3.2Å; E251-T264 PolarHBondContact N-O 2.59Å; E251-T264 PolarHBondContact O-N 3.1Å; T264-Y266 HydrophobicContact CG2-CD2 4.38Å; T264-Y266 HydrophobicContact CG2-CE1 4.09Å; T264-Y266 HydrophobicContact CG2-CE2 3.68Å
265I93.1Very high89.4Confident0 Ų060.9 Ų60.90%032%0.323CS..EExtended strand (participates in β ladder)trans-100.6124.5177.1-59.7176.1000108.3V217 E218 F220 V247 I250 A273 A276 R277V217-I265 CarbonylContact C-O 3.58Å; V217-I265 VanDerWaalsContact CA-O 3.29Å; V217-I265 WeakPolarHBondContact CA-O 3.3Å; E218-I265 HydrophobicContact CB-CB 4.37Å; E218-I265 PolarHBondContact N-O 3.36Å; E218-I265 PolarHBondContact O-N 3.13Å; F220-I265 HydrophobicContact CE1-CD1 3.6Å; F220-I265 HydrophobicContact CE1-CG1 4.03Å; F220-I265 HydrophobicContact CZ-CD1 4.23Å; V247-I265 HydrophobicContact CG1-CG2 4.25Å; V247-I265 HydrophobicContact CG2-CG2 4.47Å; I250-I265 HydrophobicContact CD1-CG1 4.29Å; I250-I265 HydrophobicContact CG1-CG1 4.16Å; I250-I265 HydrophobicContact CG1-CG2 4.36Å; I250-I265 HydrophobicContact CG2-CG1 4.17Å; I265-A273 HydrophobicContact CG2-CB 4.32Å; I265-A276 HydrophobicContact CD1-CB 3.83Å; I265-A276 HydrophobicContact CG2-CB 4.14Å; I265-R277 HydrophobicContact CD1-CB 3.94Å; I265-R277 VanDerWaalsContact CD1-N 3.31Å
266Y91.3Very high90.1Very high22 Ų2257.1 Ų57.19%0.08630%0.298CS..EExtended strand (participates in β ladder)trans-103.5125171.7-59.1-85.6000108.2Y214 V217 L248 D249 E251 T264Y214-Y266 AromaticContact CD1-CD1 3.91Å; Y214-Y266 HydrophobicContact CD1-CD1 3.91Å; Y214-Y266 HydrophobicContact CD1-CG 4.08Å; Y214-Y266 AromaticContact CD2-CD1 3.48Å; Y214-Y266 HydrophobicContact CD2-CD1 3.48Å; Y214-Y266 VanDerWaalsContact CD2-CD1 3.48Å; Y214-Y266 AromaticContact CD2-CE1 3.82Å; Y214-Y266 HydrophobicContact CD2-CE1 3.82Å; Y214-Y266 HydrophobicContact CD2-CG 4.43Å; Y214-Y266 HydrophobicContact CE1-CD1 4.38Å; Y214-Y266 HydrophobicContact CE2-CD1 4.01Å; Y214-Y266 HydrophobicContact CE2-CE1 4.02Å; Y214-Y266 AromaticContact CG-CD1 3.43Å; Y214-Y266 HydrophobicContact CG-CD1 3.43Å; Y214-Y266 VanDerWaalsContact CG-CD1 3.43Å; Y214-Y266 HydrophobicContact CG-CE1 4.24Å; Y214-Y266 HydrophobicContact CG-CG 4.03Å; V217-Y266 HydrophobicContact CB-CD1 4.48Å; V217-Y266 HydrophobicContact CG1-CD1 4.11Å; V217-Y266 HydrophobicContact CG1-CE1 4Å; V217-Y266 HydrophobicContact CG2-CD1 3.62Å; V217-Y266 HydrophobicContact CG2-CE1 3.97Å; L248-Y266 PolarHBondContact N-O 3.48Å; D249-Y266 HydrophobicContact CB-CD2 4.17Å; D249-Y266 PolarHBondContact N-O 3.45Å; D249-Y266 PolarHBondContact O-N 2.96Å; E251-Y266 HydrophobicContact CB-CE2 4.2Å; E251-Y266 HydrophobicContact CG-CE2 3.75Å; E251-Y266 WeakPolarHBondContact OE2-CE2 3.45Å; E251-Y266 PolarHBondContact OE2-OH 3.16Å; T264-Y266 HydrophobicContact CG2-CD2 4.38Å; T264-Y266 HydrophobicContact CG2-CE1 4.09Å; T264-Y266 HydrophobicContact CG2-CE2 3.68Å
267A91.4Very high90.9Very high0 Ų058.9 Ų58.90%030%0.295CS..EExtended strand (participates in β ladder)trans-149.3146.6-178.100000111.6Y214 H216 G246 V247 T269 A272 A273Y214-A267 CarbonylContact O-C 3.58Å; H216-A267 WeakPolarHBondContact CA-O 3.39Å; H216-A267 WeakPolarHBondContact CB-O 3.45Å; H216-A267 PolarHBondContact N-O 3.1Å; H216-A267 PolarHBondContact O-N 3.32Å; H216-A267 VanDerWaalsContact O-O 3.1Å; G246-A267 CarbonylContact O-C 3.59Å; G246-A267 WeakPolarHBondContact O-CA 3.5Å; G246-A267 VanDerWaalsContact O-CB 3.29Å; G246-A267 WeakPolarHBondContact O-CB 3.47Å; V247-A267 HydrophobicContact CG2-CB 4.31Å; A267-T269 PolarHBondContact O-N 3.36Å; A267-A272 HydrophobicContact CB-CB 4.01Å; A267-A273 HydrophobicContact CB-CB 3.81Å
268E88.7Confident91.7Very high125 Ų12553.6 Ų53.658%0.58427%0.27SS*.SBendtrans-60.8-31.8179.9-60.7-179.3176.700112.6G246 L248G246-E268 PolarHBondContact O-N 3.29Å; L248-E268 HydrophobicContact CD1-CG 4.13Å; L248-E268 HydrophobicContact CD2-CG 3.73Å; L248-E268 HydrophobicContact CG-CG 3.94Å
269T89.3Confident92.3Very high61 Ų6148.8 Ų48.837%0.37424%0.244SC..SBendtrans-128.3150.5-177.869.30000112.1A267 E271 A272 A273A267-T269 PolarHBondContact O-N 3.36Å; T269-E271 PolarHBondContact O-N 3.11Å; T269-A272 PolarHBondContact O-N 3.28Å; T269-A272 WeakPolarHBondContact OG1-CB 3.36Å; T269-A272 PolarHBondContact OG1-N 3.28Å; T269-A273 PolarHBondContact O-N 2.69Å; T269-A273 VanDerWaalsContact O-N 3.15Å
270P90Very high92.7Very high61 Ų6144.3 Ų44.340%0.39622%0.223SC..Hα-helixtrans-62.4-28.2174.225.2-34.9000112.7K274P270-K274 WeakPolarHBondContact O-CB 3.48Å; P270-K274 VanDerWaalsContact O-CG 3.25Å; P270-K274 WeakPolarHBondContact O-CG 3.49Å; P270-K274 PolarHBondContact O-N 3.02Å
271E92.7Very high93Very high159 Ų15942.7 Ų42.774%0.74321%0.209SC*.Hα-helixtrans-69.7-44.3178.5-62.9-176.6178.600111.6T269 K274 K275T269-E271 PolarHBondContact O-N 3.11Å; E271-K274 PolarHBondContact O-N 2.89Å; E271-K275 WeakPolarHBondContact O-CB 3Å; E271-K275 PolarHBondContact O-N 3.47Å
272A93.5Very high93.3Very high5 Ų544.3 Ų44.34%0.04122%0.215CC..Hα-helixtrans-62.3-44.6174.900000111.5E245 V247 A267 T269 K274 K275 A276E245-A272 WeakPolarHBondContact O-CB 3.36Å; V247-A272 HydrophobicContact CG2-CB 4.41Å; A267-A272 HydrophobicContact CB-CB 4.01Å; T269-A272 PolarHBondContact O-N 3.28Å; T269-A272 WeakPolarHBondContact OG1-CB 3.36Å; T269-A272 PolarHBondContact OG1-N 3.28Å; A272-K274 PolarHBondContact O-N 3.06Å; A272-K275 PolarHBondContact O-N 3.23Å; A272-A276 PolarHBondContact O-N 3.45Å
273A93Very high93.3Very high0 Ų043.3 Ų43.30%021%0.211CC..Hα-helixtrans-60.6-45.8177.100000112.1H216 E218 I265 A267 T269 K275 A276 R277H216-A273 VanDerWaalsContact CD2-CB 3.43Å; H216-A273 WeakPolarHBondContact CD2-CB 3.5Å; E218-A273 HydrophobicContact CB-CB 4.3Å; E218-A273 HydrophobicContact CG-CB 3.57Å; I265-A273 HydrophobicContact CG2-CB 4.32Å; A267-A273 HydrophobicContact CB-CB 3.81Å; T269-A273 PolarHBondContact O-N 2.69Å; T269-A273 VanDerWaalsContact O-N 3.15Å; A273-K275 PolarHBondContact O-N 3.07Å; A273-A276 PolarHBondContact O-N 3.39Å; A273-R277 VanDerWaalsContact O-CB 3.32Å; A273-R277 WeakPolarHBondContact O-CB 3.14Å; A273-R277 PolarHBondContact O-N 3.03Å
274K94.2Very high93.4Very high130 Ų13047.1 Ų47.157%0.56523%0.231SC*.Hα-helixtrans-63.2-40.6177.9-77.7177.3-176.9-1790112.5P270 E271 A272 R277 S278P270-K274 WeakPolarHBondContact O-CB 3.48Å; P270-K274 VanDerWaalsContact O-CG 3.25Å; P270-K274 WeakPolarHBondContact O-CG 3.49Å; P270-K274 PolarHBondContact O-N 3.02Å; E271-K274 PolarHBondContact O-N 2.89Å; A272-K274 PolarHBondContact O-N 3.06Å; K274-R277 WeakPolarHBondContact O-CB 3.35Å; K274-R277 PolarHBondContact O-N 3.27Å; K274-S278 PolarHBondContact O-N 3.33Å
275K94.6Very high93.5Very high131 Ų13149.6 Ų49.657%0.5724%0.242SC*.Hα-helixtrans-67-36.7177.9-176.6173.7176.1-175.20112.3V244 E271 A272 A273 S278 I279V244-K275 HydrophobicContact CG1-CB 4.04Å; V244-K275 HydrophobicContact CG1-CD 3.87Å; V244-K275 HydrophobicContact CG1-CG 3.95Å; V244-K275 HydrophobicContact CG2-CG 4.35Å; E271-K275 WeakPolarHBondContact O-CB 3Å; E271-K275 PolarHBondContact O-N 3.47Å; A272-K275 PolarHBondContact O-N 3.23Å; A273-K275 PolarHBondContact O-N 3.07Å; K275-S278 PolarHBondContact O-OG 2.97Å; K275-I279 WeakPolarHBondContact O-CD1 3.41Å; K275-I279 WeakPolarHBondContact O-CG1 3.38Å
276A95.2Very high93.6Very high0 Ų053.9 Ų53.90%027%0.265CS..Hα-helixtrans-72.3-35.9172.200000112.4A241 V244 V247 I250 I265 A272 A273 I279 L280A241-A276 HydrophobicContact CB-CB 4.25Å; V244-A276 HydrophobicContact CB-CB 4.39Å; V244-A276 HydrophobicContact CG2-CB 4.29Å; V247-A276 HydrophobicContact CG2-CB 3.65Å; I250-A276 HydrophobicContact CD1-CB 4.36Å; I265-A276 HydrophobicContact CD1-CB 3.83Å; I265-A276 HydrophobicContact CG2-CB 4.14Å; A272-A276 PolarHBondContact O-N 3.45Å; A273-A276 PolarHBondContact O-N 3.39Å; A276-I279 PolarHBondContact O-N 3.33Å; A276-L280 PolarHBondContact O-N 3.29Å
277R95.7Very high93.8Very high69 Ų6954.8 Ų54.826%0.2627%0.268SS..Hα-helixtrans-61.2-44.3173.9-179174.1173.1166.45.5111.7E218 F220 I265 A273 K274 I279 L280 E281E218-R277 IonicContact OE2-CZ 3.48Å; E218-R277 IonicContact OE2-NH1 3.57Å; E218-R277 PolarHBondContact OE2-NH1 3.27Å; F220-R277 HydrophobicContact CD1-CG 3.77Å; F220-R277 HydrophobicContact CE1-CB 4.22Å; F220-R277 HydrophobicContact CE1-CG 3.88Å; F220-R277 HydrophobicContact CG-CG 4.36Å; I265-R277 HydrophobicContact CD1-CB 3.94Å; I265-R277 VanDerWaalsContact CD1-N 3.31Å; A273-R277 VanDerWaalsContact O-CB 3.32Å; A273-R277 WeakPolarHBondContact O-CB 3.14Å; A273-R277 PolarHBondContact O-N 3.03Å; K274-R277 WeakPolarHBondContact O-CB 3.35Å; K274-R277 PolarHBondContact O-N 3.27Å; R277-I279 PolarHBondContact O-N 3.35Å; R277-I279 VanDerWaalsContact O-N 3.17Å; R277-L280 PolarHBondContact O-N 3.47Å; R277-E281 HydrophobicContact CG-CB 4.13Å; R277-E281 WeakPolarHBondContact CG-OE2 3.47Å; R277-E281 IonicContact CZ-OE1 2.96Å; R277-E281 IonicContact CZ-OE2 3.75Å; R277-E281 VanDerWaalsContact NE-CD 3.3Å; R277-E281 IonicContact NE-OE1 3.75Å; R277-E281 PolarHBondContact NE-OE1 3.4Å; R277-E281 IonicContact NE-OE2 2.92Å; R277-E281 PolarHBondContact NE-OE2 3.25Å; R277-E281 IonicContact NH2-OE1 3.4Å; R277-E281 PolarHBondContact NH2-OE1 3.5Å; R277-E281 IonicContact NH2-OE2 3.68Å; R277-E281 VanDerWaalsContact O-CB 3.24Å; R277-E281 WeakPolarHBondContact O-CB 3.42Å; R277-E281 PolarHBondContact O-N 3.42Å
278S94.8Very high93.9Very high40 Ų4059.2 Ų59.228%0.2829%0.29SS..Hα-helixtrans-62.6-25-179.570.20000113.7K274 K275 T341 E343K274-S278 PolarHBondContact O-N 3.33Å; K275-S278 PolarHBondContact O-OG 2.97Å; S278-T341 WeakPolarHBondContact O-CG2 3.47Å; S278-E343 WeakPolarHBondContact CB-OE2 3.37Å
279I94.4Very high94Very high26 Ų2653.2 Ų53.213%0.13326%0.262CS..Hα-helixtrans-76.5-35.8175.5-63166.3000111.4N237 Q240 A241 V244 K275 A276 R277 Y282N237-I279 PolarHBondContact ND2-O 3.4Å; N237-I279 WeakPolarHBondContact OD1-CG2 3.3Å; Q240-I279 HydrophobicContact CG-CD1 4.26Å; A241-I279 HydrophobicContact CB-CB 4.27Å; A241-I279 HydrophobicContact CB-CD1 4.45Å; A241-I279 HydrophobicContact CB-CG2 4.13Å; V244-I279 HydrophobicContact CG2-CD1 3.76Å; K275-I279 WeakPolarHBondContact O-CD1 3.41Å; K275-I279 WeakPolarHBondContact O-CG1 3.38Å; A276-I279 PolarHBondContact O-N 3.33Å; R277-I279 PolarHBondContact O-N 3.35Å; R277-I279 VanDerWaalsContact O-N 3.17Å; I279-Y282 WeakPolarHBondContact O-CE2 3.41Å
280L95.4Very high94.1Very high0 Ų051.4 Ų51.40%025%0.251CS..Hα-helixtrans-105.3-21.4-167.6-62.4-178.7000114.9F220 A230 I238 A241 I250 F263 A276 R277 Y282F220-L280 HydrophobicContact CE2-CB 4.11Å; F220-L280 HydrophobicContact CZ-CB 3.65Å; A230-L280 WeakPolarHBondContact CB-O 3.47Å; A230-L280 WeakPolarHBondContact O-CD2 3.47Å; I238-L280 HydrophobicContact CB-CD2 4.32Å; A241-L280 HydrophobicContact CB-CD1 3.54Å; A241-L280 HydrophobicContact CB-CD2 3.77Å; A241-L280 HydrophobicContact CB-CG 3.54Å; I250-L280 HydrophobicContact CD1-CD1 3.77Å; I250-L280 HydrophobicContact CG2-CD1 4.02Å; F263-L280 HydrophobicContact CD1-CD1 4.1Å; F263-L280 HydrophobicContact CE1-CD1 4.32Å; A276-L280 PolarHBondContact O-N 3.29Å; R277-L280 PolarHBondContact O-N 3.47Å; L280-Y282 VanDerWaalsContact C-N 3.28Å; L280-Y282 PolarHBondContact O-N 2.99Å
281E95.3Very high94Very high38 Ų3851.4 Ų51.418%0.17824%0.243CC..  trans-78.177.3-174.9-165179.9-164.500111F220 R277 T341 M342F220-E281 HydrophobicContact CB-CG 4.44Å; F220-E281 HydrophobicContact CD2-CB 3.86Å; F220-E281 HydrophobicContact CD2-CG 3.68Å; F220-E281 HydrophobicContact CE2-CB 3.88Å; F220-E281 HydrophobicContact CE2-CG 4.22Å; F220-E281 HydrophobicContact CG-CB 4.45Å; F220-E281 HydrophobicContact CG-CG 4.15Å; F220-E281 HydrophobicContact CZ-CB 4.5Å; R277-E281 HydrophobicContact CG-CB 4.13Å; R277-E281 WeakPolarHBondContact CG-OE2 3.47Å; R277-E281 IonicContact CZ-OE1 2.96Å; R277-E281 IonicContact CZ-OE2 3.75Å; R277-E281 VanDerWaalsContact NE-CD 3.3Å; R277-E281 IonicContact NE-OE1 3.75Å; R277-E281 PolarHBondContact NE-OE1 3.4Å; R277-E281 IonicContact NE-OE2 2.92Å; R277-E281 PolarHBondContact NE-OE2 3.25Å; R277-E281 IonicContact NH2-OE1 3.4Å; R277-E281 PolarHBondContact NH2-OE1 3.5Å; R277-E281 IonicContact NH2-OE2 3.68Å; R277-E281 VanDerWaalsContact O-CB 3.24Å; R277-E281 WeakPolarHBondContact O-CB 3.42Å; R277-E281 PolarHBondContact O-N 3.42Å; E281-T341 CarbonylContact O-C 3.49Å; E281-T341 VanDerWaalsContact O-CA 3.32Å; E281-T341 WeakPolarHBondContact O-CA 3.45Å; E281-M342 HydrophobicContact CB-CG 4.3Å; E281-M342 HydrophobicContact CG-CB 4.31Å; E281-M342 HydrophobicContact CG-CG 3.55Å; E281-M342 WeakPolarHBondContact O-CG 3.28Å; E281-M342 PolarHBondContact O-N 2.89Å
282Y96.1Very high93.8Very high35 Ų3549.2 Ų49.214%0.13724%0.236CC..EExtended strand (participates in β ladder)trans-83.7137.9172.2-78-99000111.3L229 A230 I279 L280 V315 G340 T341L229-Y282 HydrophobicContact CB-CD1 3.63Å; L229-Y282 HydrophobicContact CB-CD2 4.38Å; L229-Y282 HydrophobicContact CB-CE1 3.67Å; L229-Y282 HydrophobicContact CB-CE2 4.41Å; L229-Y282 HydrophobicContact CB-CG 4Å; L229-Y282 HydrophobicContact CD1-CD1 4.06Å; L229-Y282 HydrophobicContact CD1-CE1 4.33Å; L229-Y282 HydrophobicContact CG-CD1 4.48Å; L229-Y282 WeakPolarHBondContact O-CE2 3.41Å; A230-Y282 VanDerWaalsContact CA-CD2 3.44Å; A230-Y282 HydrophobicContact CB-CD2 3.83Å; I279-Y282 WeakPolarHBondContact O-CE2 3.41Å; L280-Y282 VanDerWaalsContact C-N 3.28Å; L280-Y282 PolarHBondContact O-N 2.99Å; Y282-V315 HydrophobicContact CE1-CG2 4.01Å; Y282-G340 WeakPolarHBondContact CA-O 3.04Å; Y282-T341 HydrophobicContact CD2-CG2 4.33Å; Y282-T341 HydrophobicContact CE1-CG2 4.08Å; Y282-T341 HydrophobicContact CE2-CG2 3.9Å
283G95Very high93.6Very high7 Ų749.3 Ų49.37%0.07224%0.236CC..EExtended strand (participates in β ladder)trans-144.7176.317700000111.7L226 G340 I345L226-G283 WeakPolarHBondContact CD1-O 3.44Å; G283-G340 PolarHBondContact N-O 3.14Å; G283-G340 PolarHBondContact O-N 3.38Å; G283-I345 VanDerWaalsContact O-CD1 3.28Å; G283-I345 WeakPolarHBondContact O-CD1 3.37Å
284D95Very high93.5Very high79 Ų7949.6 Ų49.642%0.42224%0.238SC..EExtended strand (participates in β ladder)trans-129.2124.2164.862.1-25.9000109.6L226 T337 F338 I339L226-D284 HydrophobicContact CD1-CB 4.21Å; D284-T337 HydrophobicContact CB-CG2 3.84Å; D284-F338 CarbonylContact C-O 3.23Å; D284-F338 VanDerWaalsContact CA-O 3.25Å; D284-F338 WeakPolarHBondContact CA-O 3.46Å; D284-I339 HydrophobicContact CB-CG1 3.87Å
285E95.6Very high93.3Very high53 Ų5346.1 Ų46.125%0.24824%0.239CC..EExtended strand (participates in β ladder)trans-124.8142.2179-62.3-163.7130.400111.4T337 F338 M342 I345 K349E285-T337 WeakPolarHBondContact O-CA 3.49Å; E285-F338 PolarHBondContact N-O 2.81Å; E285-F338 PolarHBondContact O-N 2.93Å; E285-M342 HydrophobicContact CG-CE 4.36Å; E285-I345 HydrophobicContact CB-CG2 3.73Å; E285-I345 HydrophobicContact CG-CG2 3.9Å; E285-I345 VanDerWaalsContact OE2-CG2 3.28Å; E285-I345 WeakPolarHBondContact OE2-CG2 3.45Å; E285-K349 VanDerWaalsContact CD-NZ 3.26Å; E285-K349 IonicContact OE1-NZ 2.77Å; E285-K349 WeakPolarHBondContact OE2-CE 3.47Å; E285-K349 IonicContact OE2-NZ 3.51Å; E285-K349 PolarHBondContact OE2-NZ 3.44Å
286I94.6Very high93.2Very high91 Ų9143.4 Ų43.447%0.46723%0.227SC..EExtended strand (participates in β ladder)trans-90.9135.7-179.7-49.3179.6000109.8M288 P335 F336I286-M288 HydrophobicContact CB-CE 4.2Å; I286-M288 HydrophobicContact CG2-CE 3.38Å; I286-M288 HydrophobicContact CG2-SD 3.92Å; I286-P335 HydrophobicContact CG2-CB 3.36Å; I286-F336 CarbonylContact C-O 3.55Å; I286-F336 WeakPolarHBondContact CA-O 3.39Å
287Y94.6Very high93.1Very high41 Ų4143.4 Ų43.416%0.16123%0.227CC..EExtended strand (participates in β ladder)trans-119.8121.6169.8-167.7-79.3000109.5V289 F336 K349 M352 T353 L356Y287-V289 HydrophobicContact CD1-CG2 3.86Å; Y287-V289 HydrophobicContact CE1-CG2 4.29Å; Y287-F336 PolarHBondContact N-O 3.32Å; Y287-F336 PolarHBondContact O-N 2.87Å; Y287-K349 HydrophobicContact CD2-CB 4.18Å; Y287-K349 HydrophobicContact CD2-CD 4.41Å; Y287-K349 HydrophobicContact CD2-CG 3.87Å; Y287-K349 HydrophobicContact CE2-CB 4.38Å; Y287-M352 HydrophobicContact CD1-CB 4.39Å; Y287-M352 HydrophobicContact CD1-CE 4.08Å; Y287-M352 HydrophobicContact CD2-CB 4.48Å; Y287-M352 HydrophobicContact CE1-CB 4.13Å; Y287-M352 HydrophobicContact CE1-CE 4.29Å; Y287-M352 HydrophobicContact CE2-CB 4.16Å; Y287-T353 WeakPolarHBondContact CE2-OG1 3.4Å; Y287-T353 VanDerWaalsContact OH-CA 3.26Å; Y287-T353 WeakPolarHBondContact OH-CA 3.3Å; Y287-T353 PolarHBondContact OH-N 2.81Å; Y287-T353 PolarHBondContact OH-OG1 3.13Å; Y287-L356 HydrophobicContact CD1-CD1 4.45Å; Y287-L356 HydrophobicContact CE1-CD1 3.4Å; Y287-L356 VanDerWaalsContact CE1-CD1 3.4Å
288M93.4Very high93Very high92 Ų9242 Ų4245%0.45322%0.224SC..EExtended strand (participates in β ladder)trans-84.1124.7-177.3-59.8-56.4169.400111I286 E333 P335I286-M288 HydrophobicContact CB-CE 4.2Å; I286-M288 HydrophobicContact CG2-CE 3.38Å; I286-M288 HydrophobicContact CG2-SD 3.92Å; M288-E333 HydrophobicContact CB-CB 4.15Å; M288-E333 VanDerWaalsContact CB-OE2 3.31Å; M288-E333 WeakPolarHBondContact CB-OE2 3.3Å; M288-P335 HydrophobicContact CE-CB 4.19Å; M288-P335 HydrophobicContact SD-CB 3.8Å
289V92.7Very high92.8Very high0 Ų040.8 Ų40.80%022%0.218CC..EExtended strand (participates in β ladder)trans-116.2124.2-178.6-178.60000109.7Y287 R291 M293 V294 V297 E333 V334 F336 M352 L356Y287-V289 HydrophobicContact CD1-CG2 3.86Å; Y287-V289 HydrophobicContact CE1-CG2 4.29Å; V289-R291 PolarHBondContact O-N 2.75Å; V289-M293 HydrophobicContact CG1-CB 4.49Å; V289-V294 HydrophobicContact CB-CG2 4.25Å; V289-V294 HydrophobicContact CG1-CG2 3.84Å; V289-V297 HydrophobicContact CG1-CG2 4.12Å; V289-E333 CarbonylContact O-C 3.56Å; V289-E333 WeakPolarHBondContact O-CA 2.97Å; V289-V334 PolarHBondContact N-O 2.8Å; V289-V334 PolarHBondContact O-N 2.88Å; V289-F336 HydrophobicContact CB-CD1 4.04Å; V289-F336 HydrophobicContact CB-CE1 3.87Å; V289-F336 HydrophobicContact CB-CZ 4.43Å; V289-F336 HydrophobicContact CG1-CE1 4.36Å; V289-F336 HydrophobicContact CG2-CB 4.46Å; V289-F336 HydrophobicContact CG2-CD1 3.6Å; V289-F336 HydrophobicContact CG2-CD2 4.2Å; V289-F336 HydrophobicContact CG2-CE1 3.78Å; V289-F336 HydrophobicContact CG2-CE2 4.35Å; V289-F336 HydrophobicContact CG2-CG 3.84Å; V289-F336 HydrophobicContact CG2-CZ 4.16Å; V289-M352 HydrophobicContact CG2-CE 3.77Å; V289-L356 HydrophobicContact CG1-CD2 4.23Å; V289-L356 HydrophobicContact CG2-CD1 4.44Å
290P91Very high92.6Very high22 Ų2248.8 Ų48.814%0.14325%0.252CS..EExtended strand (participates in β ladder)trans-53.9132.4176.2-27.635.4000111.9N292 M293 V294P290-N292 VanDerWaalsContact CB-OD1 3.27Å; P290-N292 WeakPolarHBondContact CB-OD1 3.46Å; P290-N292 PolarHBondContact O-N 3.26Å; P290-N292 VanDerWaalsContact O-N 3.16Å; P290-M293 HydrophobicContact CB-CB 4.36Å; P290-M293 HydrophobicContact CB-CG 4.26Å; P290-M293 WeakPolarHBondContact O-CA 3.48Å; P290-M293 WeakPolarHBondContact O-CB 3.41Å; P290-M293 PolarHBondContact O-N 2.91Å; P290-V294 PolarHBondContact O-N 2.97Å
291R87.2Confident92.3Very high62 Ų6253 Ų5323%0.23430%0.295CS..THydrogen-bonded Turntrans-54.1-39.6-172.7-178.8171174.7-179.7-0.6113V289 M293 V294 L324 R325 D326 L332 V334V289-R291 PolarHBondContact O-N 2.75Å; R291-M293 PolarHBondContact O-N 3.5Å; R291-V294 PolarHBondContact O-N 2.85Å; R291-L324 HydrophobicContact CG-CD2 3.87Å; R291-L324 PolarHBondContact NH2-O 2.95Å; R291-R325 VanDerWaalsContact CZ-O 3.25Å; R291-R325 PolarHBondContact NH1-O 2.68Å; R291-R325 VanDerWaalsContact NH2-C 3.26Å; R291-R325 PolarHBondContact NH2-O 2.77Å; R291-D326 IonicContact NH2-OD1 2.68Å; R291-D326 PolarHBondContact NH2-OD1 2.91Å; R291-L332 WeakPolarHBondContact CB-O 3.23Å; R291-L332 PolarHBondContact N-O 3.03Å; R291-V334 HydrophobicContact CB-CG2 4.28Å; R291-V334 HydrophobicContact CG-CG2 4.43Å
292N87.8Confident92.1Very high112 Ų11252.1 Ų52.160%0.59930%0.296SS*.THydrogen-bonded Turntrans-67.8-16.7176.964.3-26.6000114.3P290P290-N292 VanDerWaalsContact CB-OD1 3.27Å; P290-N292 WeakPolarHBondContact CB-OD1 3.46Å; P290-N292 PolarHBondContact O-N 3.26Å; P290-N292 VanDerWaalsContact O-N 3.16Å
293M90Very high92.1Very high7 Ų757.3 Ų57.33%0.03432%0.32CS..THydrogen-bonded Turntrans-102.2-17.3-179.2-67.4-68.3-173.700113.6V289 P290 R291 G295 K296 V297 L356 L359 K360 E363V289-M293 HydrophobicContact CG1-CB 4.49Å; P290-M293 HydrophobicContact CB-CB 4.36Å; P290-M293 HydrophobicContact CB-CG 4.26Å; P290-M293 WeakPolarHBondContact O-CA 3.48Å; P290-M293 WeakPolarHBondContact O-CB 3.41Å; P290-M293 PolarHBondContact O-N 2.91Å; R291-M293 PolarHBondContact O-N 3.5Å; M293-G295 VanDerWaalsContact C-N 3.35Å; M293-G295 PolarHBondContact O-N 3.12Å; M293-K296 WeakPolarHBondContact O-CA 3.44Å; M293-K296 WeakPolarHBondContact O-CB 3.34Å; M293-K296 PolarHBondContact O-N 3.33Å; M293-K296 HydrophobicContact SD-CD 3.99Å; M293-V297 HydrophobicContact CB-CG2 4.38Å; M293-V297 WeakPolarHBondContact O-CG2 3.21Å; M293-V297 PolarHBondContact O-N 3.07Å; M293-L356 HydrophobicContact CB-CD2 3.96Å; M293-L356 HydrophobicContact CG-CD2 4.42Å; M293-L359 HydrophobicContact SD-CB 4.21Å; M293-K360 HydrophobicContact CE-CB 4.39Å; M293-K360 HydrophobicContact CE-CG 3.66Å; M293-E363 HydrophobicContact CE-CB 4.39Å; M293-E363 WeakPolarHBondContact CE-OE2 3.44Å
294V91.5Very high92Very high7 Ų758.7 Ų58.74%0.04233%0.327CS..Hα-helixtrans-49.8-51.4-175.4171.80000112.1V289 P290 R291 K296 V297 I298 V334 F336V289-V294 HydrophobicContact CB-CG2 4.25Å; V289-V294 HydrophobicContact CG1-CG2 3.84Å; P290-V294 PolarHBondContact O-N 2.97Å; R291-V294 PolarHBondContact O-N 2.85Å; V294-K296 VanDerWaalsContact C-N 3.27Å; V294-K296 PolarHBondContact O-N 3.36Å; V294-V297 PolarHBondContact O-N 3.01Å; V294-I298 HydrophobicContact CG1-CD1 3.62Å; V294-I298 HydrophobicContact CG1-CG1 4.44Å; V294-I298 WeakPolarHBondContact O-CB 3.35Å; V294-I298 VanDerWaalsContact O-CG1 3.25Å; V294-I298 WeakPolarHBondContact O-CG1 3.37Å; V294-I298 PolarHBondContact O-N 3.45Å; V294-V334 HydrophobicContact CG2-CB 3.77Å; V294-V334 HydrophobicContact CG2-CG1 4.38Å; V294-V334 HydrophobicContact CG2-CG2 3.78Å; V294-F336 HydrophobicContact CG1-CE1 4.16Å; V294-F336 HydrophobicContact CG1-CZ 4.04Å; V294-F336 HydrophobicContact CG2-CE1 4.23Å
295G90.6Very high92Very high56 Ų5655.6 Ų55.658%0.57731%0.31SS*.Hα-helixtrans-63.6-31-179.900000113.9M293 G299M293-G295 VanDerWaalsContact C-N 3.35Å; M293-G295 PolarHBondContact O-N 3.12Å; G295-G299 PolarHBondContact O-N 3.33Å
296K91.4Very high92Very high74 Ų7457.8 Ų57.832%0.32232%0.32SS..Hα-helixtrans-75.4-42.4177.9-61.1-179.4-170.2173.30111.3M293 V294 G299 L359 E363M293-K296 WeakPolarHBondContact O-CA 3.44Å; M293-K296 WeakPolarHBondContact O-CB 3.34Å; M293-K296 PolarHBondContact O-N 3.33Å; M293-K296 HydrophobicContact SD-CD 3.99Å; V294-K296 VanDerWaalsContact C-N 3.27Å; V294-K296 PolarHBondContact O-N 3.36Å; K296-G299 PolarHBondContact O-N 3.14Å; K296-L359 HydrophobicContact CB-CD1 3.76Å; K296-L359 HydrophobicContact CB-CD2 4.09Å; K296-E363 IonicContact NZ-OE1 2.73Å; K296-E363 PolarHBondContact NZ-OE1 3.46Å; K296-E363 IonicContact NZ-OE2 3.28Å; K296-E363 PolarHBondContact NZ-OE2 2.6Å
297V93.3Very high92Very high0 Ų058.3 Ų58.30%032%0.321CS..Hα-helixtrans-65.3-41.3177.61730000111.7V289 M293 V294 G299 V304 F336 M352 L356 L359V289-V297 HydrophobicContact CG1-CG2 4.12Å; M293-V297 HydrophobicContact CB-CG2 4.38Å; M293-V297 WeakPolarHBondContact O-CG2 3.21Å; M293-V297 PolarHBondContact O-N 3.07Å; V294-V297 PolarHBondContact O-N 3.01Å; V297-G299 VanDerWaalsContact C-N 3.27Å; V297-G299 PolarHBondContact O-N 2.68Å; V297-V304 WeakPolarHBondContact O-CG1 3.26Å; V297-F336 HydrophobicContact CG1-CE2 4.33Å; V297-M352 HydrophobicContact CG1-CE 3.5Å; V297-M352 VanDerWaalsContact CG1-CE 3.5Å; V297-M352 HydrophobicContact CG1-SD 3.88Å; V297-L356 HydrophobicContact CG2-CD2 3.38Å; V297-L356 HydrophobicContact CG2-CG 3.88Å; V297-L359 HydrophobicContact CB-CD1 4.39Å; V297-L359 HydrophobicContact CG2-CD1 3.55Å
298I92.8Very high92Very high40 Ų4057 Ų5721%0.20532%0.316CS..Hα-helixtrans-64.3-38.4174.5-67.7170.3000110.3V294 G302 V304 I305 I319 F336V294-I298 HydrophobicContact CG1-CD1 3.62Å; V294-I298 HydrophobicContact CG1-CG1 4.44Å; V294-I298 WeakPolarHBondContact O-CB 3.35Å; V294-I298 VanDerWaalsContact O-CG1 3.25Å; V294-I298 WeakPolarHBondContact O-CG1 3.37Å; V294-I298 PolarHBondContact O-N 3.45Å; I298-G302 CarbonylContact O-C 3.51Å; I298-G302 VanDerWaalsContact O-C 3.23Å; I298-G302 VanDerWaalsContact O-CA 3.24Å; I298-G302 WeakPolarHBondContact O-CA 3.37Å; I298-V304 PolarHBondContact O-N 2.85Å; I298-I305 HydrophobicContact CB-CG2 4.4Å; I298-I305 HydrophobicContact CG2-CG2 4.06Å; I298-I305 PolarHBondContact O-N 2.89Å; I298-I319 HydrophobicContact CD1-CD1 3.77Å; I298-I319 HydrophobicContact CG1-CD1 3.88Å; I298-F336 HydrophobicContact CD1-CZ 4.27Å; I298-F336 HydrophobicContact CG1-CE2 4.27Å; I298-F336 HydrophobicContact CG1-CZ 4.06Å
299G90.3Very high92.1Very high15 Ų1553.2 Ų53.216%0.15530%0.298CS..  trans75.2171.8-177.600000112.9G295 K296 V297 G301 G302G295-G299 PolarHBondContact O-N 3.33Å; K296-G299 PolarHBondContact O-N 3.14Å; V297-G299 VanDerWaalsContact C-N 3.27Å; V297-G299 PolarHBondContact O-N 2.68Å; G299-G301 PolarHBondContact O-N 3.28Å; G299-G302 PolarHBondContact O-N 2.73Å; G299-G302 VanDerWaalsContact O-N 3.09Å
300K91.4Very high92.3Very high194 Ų19458.1 Ų58.184%0.84332%0.324SS*.G310 helixtrans-61.9111-177.8-68.4-178.6-179.8178.30110.5G302 K303K300-G302 VanDerWaalsContact C-N 3.33Å; K300-K303 WeakPolarHBondContact O-CG 3.33Å
301G89.2Confident92.5Very high87 Ų8764 Ų6490%0.89735%0.348SS*.G310 helixtrans7122.1-179.200000114.6G299 K303G299-G301 PolarHBondContact O-N 3.28Å; G301-K303 VanDerWaalsContact C-N 3.28Å; G301-K303 PolarHBondContact O-N 3.33Å
302G91.6Very high93Very high20 Ų2061.1 Ų61.121%0.20634%0.337CS..G310 helixtrans78.76.3179.700000115I298 G299 K300 V304 I305 Q306I298-G302 CarbonylContact O-C 3.51Å; I298-G302 VanDerWaalsContact O-C 3.23Å; I298-G302 VanDerWaalsContact O-CA 3.24Å; I298-G302 WeakPolarHBondContact O-CA 3.37Å; G299-G302 PolarHBondContact O-N 2.73Å; G299-G302 VanDerWaalsContact O-N 3.09Å; K300-G302 VanDerWaalsContact C-N 3.33Å; G302-V304 VanDerWaalsContact C-N 3.33Å; G302-V304 PolarHBondContact O-N 2.8Å; G302-I305 WeakPolarHBondContact O-CG2 3.27Å; G302-I305 PolarHBondContact O-N 3.49Å; G302-Q306 WeakPolarHBondContact O-CB 3.34Å; G302-Q306 PolarHBondContact O-N 2.99Å
303K94.5Very high93.3Very high145 Ų14563.2 Ų63.263%0.6334%0.343SS*.Hα-helixtrans-58.1-42.4-175.4-71.8-176.4177.2-168.10113.3K300 G301 Q306 E307K300-K303 WeakPolarHBondContact O-CG 3.33Å; G301-K303 VanDerWaalsContact C-N 3.28Å; G301-K303 PolarHBondContact O-N 3.33Å; K303-Q306 PolarHBondContact O-N 3.03Å; K303-E307 WeakPolarHBondContact O-CG 3.49Å; K303-E307 PolarHBondContact O-N 2.66Å
304V94Very high93.6Very high36 Ų3663.2 Ų63.222%0.21834%0.344CS..Hα-helixtrans-71.8-45.2-174.9177.70000110.7V297 I298 G302 Q306 E307 I308V297-V304 WeakPolarHBondContact O-CG1 3.26Å; I298-V304 PolarHBondContact O-N 2.85Å; G302-V304 VanDerWaalsContact C-N 3.33Å; G302-V304 PolarHBondContact O-N 2.8Å; V304-Q306 VanDerWaalsContact C-N 3.29Å; V304-Q306 PolarHBondContact O-N 2.91Å; V304-E307 WeakPolarHBondContact O-CB 3.35Å; V304-E307 PolarHBondContact O-N 3.5Å; V304-I308 HydrophobicContact CG1-CD1 4.46Å; V304-I308 WeakPolarHBondContact O-CG1 3.37Å; V304-I308 PolarHBondContact O-N 3.41Å
305I94.6Very high93.7Very high13 Ų1366.4 Ų66.47%0.06736%0.363CS..Hα-helixtrans-66.2-34.7176.4-171.463.7000111.6I298 G302 I308 V309 V317 F336 F338 M352I298-I305 HydrophobicContact CB-CG2 4.4Å; I298-I305 HydrophobicContact CG2-CG2 4.06Å; I298-I305 PolarHBondContact O-N 2.89Å; G302-I305 WeakPolarHBondContact O-CG2 3.27Å; G302-I305 PolarHBondContact O-N 3.49Å; I305-I308 HydrophobicContact CD1-CB 4.49Å; I305-I308 PolarHBondContact O-N 3.1Å; I305-V309 WeakPolarHBondContact O-CG2 3.47Å; I305-V309 PolarHBondContact O-N 2.96Å; I305-V317 HydrophobicContact CD1-CG1 4.34Å; I305-V317 HydrophobicContact CG1-CG1 3.84Å; I305-F336 HydrophobicContact CD1-CD2 4.3Å; I305-F336 HydrophobicContact CD1-CE2 4.27Å; I305-F338 HydrophobicContact CD1-CE1 4.43Å; I305-F338 HydrophobicContact CD1-CZ 4.3Å; I305-M352 HydrophobicContact CD1-SD 3.92Å
306Q94.7Very high93.9Very high99 Ų9969.7 Ų69.746%0.46336%0.358SS..Hα-helixtrans-64.3-42.7173.5-169.262.650.700111.3G302 K303 V304 I308 V309 D310G302-Q306 WeakPolarHBondContact O-CB 3.34Å; G302-Q306 PolarHBondContact O-N 2.99Å; K303-Q306 PolarHBondContact O-N 3.03Å; V304-Q306 VanDerWaalsContact C-N 3.29Å; V304-Q306 PolarHBondContact O-N 2.91Å; Q306-I308 VanDerWaalsContact C-N 3.27Å; Q306-I308 PolarHBondContact O-N 2.79Å; Q306-V309 PolarHBondContact O-N 3.47Å; Q306-V309 VanDerWaalsContact O-N 3.17Å; Q306-D310 PolarHBondContact NE2-OD1 3.27Å; Q306-D310 WeakPolarHBondContact O-CB 3.42Å; Q306-D310 PolarHBondContact O-N 2.96Å
307E95.3Very high94.1Very high103 Ų10367.8 Ų67.848%0.48135%0.352SS..Hα-helixtrans-60.4-36.3173.7-75.6173.4-150.500112.5K303 V304 K311K303-E307 WeakPolarHBondContact O-CG 3.49Å; K303-E307 PolarHBondContact O-N 2.66Å; V304-E307 WeakPolarHBondContact O-CB 3.35Å; V304-E307 PolarHBondContact O-N 3.5Å; E307-K311 VanDerWaalsContact O-CB 3.28Å; E307-K311 WeakPolarHBondContact O-CB 3.31Å; E307-K311 VanDerWaalsContact O-CG 3.27Å; E307-K311 WeakPolarHBondContact O-CG 3.06Å; E307-K311 PolarHBondContact O-N 2.92Å
308I95.2Very high94.1Very high12 Ų1272.5 Ų72.56%0.06237%0.373CS..Hα-helixtrans-66.6-45.3174.6-67.9172000110.3V304 I305 Q306 K311 S312 L351 M352V304-I308 HydrophobicContact CG1-CD1 4.46Å; V304-I308 WeakPolarHBondContact O-CG1 3.37Å; V304-I308 PolarHBondContact O-N 3.41Å; I305-I308 HydrophobicContact CD1-CB 4.49Å; I305-I308 PolarHBondContact O-N 3.1Å; Q306-I308 VanDerWaalsContact C-N 3.27Å; Q306-I308 PolarHBondContact O-N 2.79Å; I308-K311 PolarHBondContact O-N 3.44Å; I308-S312 VanDerWaalsContact O-CB 3.27Å; I308-S312 WeakPolarHBondContact O-CB 3.38Å; I308-S312 PolarHBondContact O-N 3.32Å; I308-S312 PolarHBondContact O-OG 3.4Å; I308-L351 HydrophobicContact CG1-CB 4.39Å; I308-L351 HydrophobicContact CG2-CB 4.02Å; I308-L351 HydrophobicContact CG2-CD1 4.27Å; I308-M352 HydrophobicContact CD1-CG 4.43Å; I308-M352 HydrophobicContact CD1-SD 3.6Å; I308-M352 VanDerWaalsContact CD1-SD 3.6Å; I308-M352 HydrophobicContact CG2-CG 4.21Å; I308-M352 HydrophobicContact CG2-SD 4.33Å
309V95.9Very high94.1Very high14 Ų1473.2 Ų73.29%0.08538%0.376CS..Hα-helixtrans-59.5-48.5176.91680000110.7I305 Q306 K311 S312 E313 V314 V317I305-V309 WeakPolarHBondContact O-CG2 3.47Å; I305-V309 PolarHBondContact O-N 2.96Å; Q306-V309 PolarHBondContact O-N 3.47Å; Q306-V309 VanDerWaalsContact O-N 3.17Å; V309-K311 PolarHBondContact O-N 2.9Å; V309-S312 PolarHBondContact O-N 2.85Å; V309-S312 PolarHBondContact O-OG 2.97Å; V309-E313 PolarHBondContact O-N 3.14Å; V309-V314 HydrophobicContact CB-CG2 4.06Å; V309-V314 HydrophobicContact CG1-CG2 3.87Å; V309-V314 HydrophobicContact CG2-CG2 3.93Å; V309-V317 HydrophobicContact CG2-CB 4.23Å; V309-V317 HydrophobicContact CG2-CG1 3.76Å
310D95.8Very high93.9Very high103 Ų10376 Ų7655%0.55139%0.386SS*.Hα-helixtrans-65.2-39.4-178.6-63.3-13.3000112Q306Q306-D310 PolarHBondContact NE2-OD1 3.27Å; Q306-D310 WeakPolarHBondContact O-CB 3.42Å; Q306-D310 PolarHBondContact O-N 2.96Å
311K95.8Very high92.9Very high145 Ų14570.4 Ų70.463%0.6337%0.371SS*.Hα-helixtrans-76.2-27.8179-76.3177.5178173.30114.2E307 I308 V309 L351E307-K311 VanDerWaalsContact O-CB 3.28Å; E307-K311 WeakPolarHBondContact O-CB 3.31Å; E307-K311 VanDerWaalsContact O-CG 3.27Å; E307-K311 WeakPolarHBondContact O-CG 3.06Å; E307-K311 PolarHBondContact O-N 2.92Å; I308-K311 PolarHBondContact O-N 3.44Å; V309-K311 PolarHBondContact O-N 2.9Å; K311-L351 HydrophobicContact CB-CD1 3.75Å
312S96.3Very high91.7Very high1 Ų174 Ų741%0.00736%0.364CS..Hα-helixtrans-90.5-13.5179.457.10000113.2I308 V309 V314 S344 A348I308-S312 VanDerWaalsContact O-CB 3.27Å; I308-S312 WeakPolarHBondContact O-CB 3.38Å; I308-S312 PolarHBondContact O-N 3.32Å; I308-S312 PolarHBondContact O-OG 3.4Å; V309-S312 PolarHBondContact O-N 2.85Å; V309-S312 PolarHBondContact O-OG 2.97Å; S312-V314 PolarHBondContact O-N 2.96Å; S312-V314 WeakPolarHBondContact OG-CG2 3.14Å; S312-S344 WeakPolarHBondContact O-CA 3.38Å; S312-S344 WeakPolarHBondContact O-CB 3.31Å; S312-S344 PolarHBondContact O-OG 2.89Å; S312-A348 VanDerWaalsContact CB-N 3.33Å; S312-A348 WeakPolarHBondContact OG-CB 3.38Å
313E95Very high90Very high156 Ų15674.3 Ų74.373%0.72936%0.362SS*.THydrogen-bonded Turntrans62.320.6-178-53.3-178.5169.100113.6V309 S344V309-E313 PolarHBondContact O-N 3.14Å; E313-S344 PolarHBondContact O-OG 2.91Å
314V95.9Very high88.3Confident8 Ų870.4 Ų70.45%0.04835%0.348CS..  trans-66145.1170.8-64.70000110.2V309 S312 R316 F338 S344 I345 A348V309-V314 HydrophobicContact CB-CG2 4.06Å; V309-V314 HydrophobicContact CG1-CG2 3.87Å; V309-V314 HydrophobicContact CG2-CG2 3.93Å; S312-V314 PolarHBondContact O-N 2.96Å; S312-V314 WeakPolarHBondContact OG-CG2 3.14Å; V314-R316 VanDerWaalsContact C-N 3.34Å; V314-R316 PolarHBondContact O-N 2.87Å; V314-F338 HydrophobicContact CG1-CD1 4.43Å; V314-F338 HydrophobicContact CG2-CD1 4.08Å; V314-S344 VanDerWaalsContact CG1-C 3.46Å; V314-S344 VanDerWaalsContact CG1-O 3.27Å; V314-S344 WeakPolarHBondContact CG1-O 3.36Å; V314-I345 HydrophobicContact CG1-CG1 4.29Å; V314-A348 HydrophobicContact CG1-CB 3.74Å
315V94.6Very high86.7Confident73 Ų7377 Ų7744%0.44237%0.368SS..SBendtrans-63.6-41.9-179.2175.60000111L229 Y282 I339L229-V315 HydrophobicContact CD1-CG1 4.43Å; L229-V315 HydrophobicContact CD1-CG2 4.41Å; Y282-V315 HydrophobicContact CE1-CG2 4.01Å; V315-I339 WeakPolarHBondContact CA-O 3.4Å; V315-I339 WeakPolarHBondContact CB-O 3.37Å; V315-I339 PolarHBondContact N-O 3.42Å
316R94.7Very high84.9Confident126 Ų12683.7 Ų83.748%0.47541%0.405SS..EExtended strand (participates in β ladder)trans-167.9165.1176.657.4-176.1169.8-172.6-4.5111.8V314 I339V314-R316 VanDerWaalsContact C-N 3.34Å; V314-R316 PolarHBondContact O-N 2.87Å; R316-I339 HydrophobicContact CG-CB 4.06Å; R316-I339 HydrophobicContact CG-CD1 4.05Å; R316-I339 HydrophobicContact CG-CG1 4.44Å; R316-I339 PolarHBondContact N-O 2.82Å; R316-I339 PolarHBondContact O-N 2.92Å
317V95.7Very high83.3Confident34 Ų3483.4 Ų83.421%0.20641%0.406CS..EExtended strand (participates in β ladder)trans-118.6134.5167.363.30000110.1I305 V309 I319 F336 T337 F338I305-V317 HydrophobicContact CD1-CG1 4.34Å; I305-V317 HydrophobicContact CG1-CG1 3.84Å; V309-V317 HydrophobicContact CG2-CB 4.23Å; V309-V317 HydrophobicContact CG2-CG1 3.76Å; V317-I319 HydrophobicContact CG2-CG1 4.44Å; V317-F336 HydrophobicContact CG2-CB 4.18Å; V317-F336 HydrophobicContact CG2-CD2 4.16Å; V317-T337 CarbonylContact C-O 3.42Å; V317-T337 WeakPolarHBondContact CA-O 3.46Å; V317-F338 HydrophobicContact CB-CD1 3.91Å; V317-F338 HydrophobicContact CB-CE1 3.84Å; V317-F338 HydrophobicContact CG2-CD1 3.87Å; V317-F338 HydrophobicContact CG2-CE1 3.64Å; V317-F338 HydrophobicContact CG2-CE2 4.35Å; V317-F338 HydrophobicContact CG2-CG 4.34Å; V317-F338 HydrophobicContact CG2-CZ 3.9Å
318K93.3Very high81.8Confident99 Ų9984.8 Ų84.843%0.4342%0.424SS..EExtended strand (participates in β ladder)trans-107121.7172.1-66.8180179.1175.90109.2F336 T337 I339K318-F336 CarbonylContact O-C 3.58Å; K318-F336 WeakPolarHBondContact O-CA 3.36Å; K318-T337 PolarHBondContact N-O 3.05Å; K318-T337 PolarHBondContact O-N 3.29Å; K318-I339 HydrophobicContact CD-CD1 3.98Å; K318-I339 HydrophobicContact CG-CD1 4.3Å
319I91.5Very high80.4Confident54 Ų5492.1 Ų92.128%0.27746%0.463SS..EExtended strand (participates in β ladder)trans-103.2117.5179.1-56.2173.8000107.8I298 V317 S321 V334 F336I298-I319 HydrophobicContact CD1-CD1 3.77Å; I298-I319 HydrophobicContact CG1-CD1 3.88Å; V317-I319 HydrophobicContact CG2-CG1 4.44Å; I319-S321 PolarHBondContact O-N 2.86Å; I319-V334 HydrophobicContact CG2-CG1 4.31Å; I319-F336 HydrophobicContact CB-CE1 4.47Å; I319-F336 HydrophobicContact CD1-CD2 4.25Å; I319-F336 HydrophobicContact CD1-CE2 3.7Å; I319-F336 HydrophobicContact CD1-CZ 3.88Å; I319-F336 HydrophobicContact CG1-CD1 4.34Å; I319-F336 HydrophobicContact CG1-CD2 3.91Å; I319-F336 HydrophobicContact CG1-CE1 4.27Å; I319-F336 HydrophobicContact CG1-CE2 3.84Å; I319-F336 HydrophobicContact CG1-CG 4.17Å; I319-F336 HydrophobicContact CG1-CZ 4.01Å; I319-F336 HydrophobicContact CG2-CD1 4.03Å; I319-F336 HydrophobicContact CG2-CE1 3.6Å; I319-F336 HydrophobicContact CG2-CZ 3.9Å
320H87.1Confident78.8Confident75 Ų7592.2 Ų92.235%0.34747%0.467SS..  trans-82.188.7-177.5-59.481000109.8E322 T323 V334 P335 T337H320-E322 VanDerWaalsContact C-N 3.26Å; H320-E322 PolarHBondContact O-N 3Å; H320-T323 PolarHBondContact O-OG1 3.29Å; H320-V334 WeakPolarHBondContact O-CG1 3.49Å; H320-P335 HydrophobicContact CB-CG 3.78Å; H320-P335 PolarHBondContact N-O 3.12Å; H320-P335 VanDerWaalsContact N-O 3.16Å; H320-P335 PolarHBondContact ND1-O 3.37Å; H320-T337 PolarHBondContact CE1-OG1 3.1Å
321S69.7Low77.4Confident76 Ų7690.9 Ų90.953%0.53146%0.464SS..G310 helixtrans-76.2-9.1-178.556.50000114.2I319 T323 L324I319-S321 PolarHBondContact O-N 2.86Å; S321-T323 PolarHBondContact O-N 2.82Å; S321-T323 VanDerWaalsContact O-N 3.16Å; S321-L324 VanDerWaalsContact O-CB 3.29Å; S321-L324 WeakPolarHBondContact O-CB 3.33Å; S321-L324 PolarHBondContact O-N 3.2Å
322E63.8Low76.7Confident162 Ų16291.2 Ų91.276%0.75747%0.472SS*.G310 helixtrans-59.8-25.3175.7-66.5-173.4165.300112H320 L324H320-E322 VanDerWaalsContact C-N 3.26Å; H320-E322 PolarHBondContact O-N 3Å; E322-L324 PolarHBondContact O-N 3.12Å
323T57.1Low76.3Confident26 Ų2696 Ų9616%0.1650%0.495CS..G310 helixtrans-72.2-10.8174-37.20000113.9H320 S321 P331 V334H320-T323 PolarHBondContact O-OG1 3.29Å; S321-T323 PolarHBondContact O-N 2.82Å; S321-T323 VanDerWaalsContact O-N 3.16Å; T323-P331 HydrophobicContact CG2-CB 3.48Å; T323-P331 VanDerWaalsContact CG2-CB 3.48Å; T323-P331 HydrophobicContact CG2-CG 3.47Å; T323-P331 VanDerWaalsContact CG2-CG 3.47Å; T323-V334 HydrophobicContact CG2-CG2 4.37Å
324L57.8Low76.1Confident64 Ų6488.6 Ų88.634%0.33546%0.46SS..G310 helixtrans-91.47.2-176.8-65.8172.4000114.2R291 S321 E322 D326 V334R291-L324 HydrophobicContact CG-CD2 3.87Å; R291-L324 PolarHBondContact NH2-O 2.95Å; S321-L324 VanDerWaalsContact O-CB 3.29Å; S321-L324 WeakPolarHBondContact O-CB 3.33Å; S321-L324 PolarHBondContact O-N 3.2Å; E322-L324 PolarHBondContact O-N 3.12Å; L324-D326 PolarHBondContact O-N 3.45Å; L324-V334 HydrophobicContact CD2-CG2 3.8Å; L324-V334 HydrophobicContact CG-CG2 4.37Å
325R60.4Low76Confident173 Ų17389.5 Ų89.565%0.65347%0.466SS*.SBendtrans-57.8136.3172.1-66.5-176.2-175.2-161.73.1109.2R291 D327R291-R325 VanDerWaalsContact CZ-O 3.25Å; R291-R325 PolarHBondContact NH1-O 2.68Å; R291-R325 VanDerWaalsContact NH2-C 3.26Å; R291-R325 PolarHBondContact NH2-O 2.77Å; R325-D327 VanDerWaalsContact CB-OD2 3.28Å; R325-D327 WeakPolarHBondContact CB-OD2 3.4Å; R325-D327 PolarHBondContact O-N 3.44Å
326D57.2Low76Confident155 Ų15586 Ų8683%0.82945%0.445SS*.  trans-68.134.4-179.8-76.6-28.5000113.2R291 L324R291-D326 IonicContact NH2-OD1 2.68Å; R291-D326 PolarHBondContact NH2-OD1 2.91Å; L324-D326 PolarHBondContact O-N 3.45Å
327D62Low76.1Confident93 Ų9380.5 Ų80.550%0.49743%0.425SS..  trans-73.2124.2170-61.7-47.7000108.1R325 D329 G330R325-D327 VanDerWaalsContact CB-OD2 3.28Å; R325-D327 WeakPolarHBondContact CB-OD2 3.4Å; R325-D327 PolarHBondContact O-N 3.44Å; D327-D329 PolarHBondContact O-N 2.8Å; D327-G330 PolarHBondContact O-N 2.88Å
328P62.3Low76.1Confident132 Ų13278.9 Ų78.986%0.85742%0.415SS*.THydrogen-bonded Turntrans-62.1-22.1177.821.3-29.7000112.8
329D66.8Low76.3Confident165 Ų16574.2 Ų74.288%0.88240%0.395SS*.THydrogen-bonded Turntrans-94.58.7173.4-69-31.1000113.4D327D327-D329 PolarHBondContact O-N 2.8Å
330G61.9Low76.5Confident16 Ų1671.7 Ų71.717%0.16538%0.382CS..SBendtrans-65.2154179.600000112.5D327 L332D327-G330 PolarHBondContact O-N 2.88Å; G330-L332 PolarHBondContact O-N 3.33Å
331P66.7Low76.9Confident76 Ų7669 Ų6949%0.49437%0.371SS..  trans-59.6133.4-176.7-23.534.9000111.7T323 E333T323-P331 HydrophobicContact CG2-CB 3.48Å; T323-P331 VanDerWaalsContact CG2-CB 3.48Å; T323-P331 HydrophobicContact CG2-CG 3.47Å; T323-P331 VanDerWaalsContact CG2-CG 3.47Å; P331-E333 PolarHBondContact O-N 2.95Å
332L81.8Confident78.1Confident152 Ų15267.5 Ų67.580%0.79636%0.356SS*.SBendtrans-66.6-15.6179.8-70.2165.6000112.6R291 G330R291-L332 WeakPolarHBondContact CB-O 3.23Å; R291-L332 PolarHBondContact N-O 3.03Å; G330-L332 PolarHBondContact O-N 3.33Å
333E87.9Confident79.6Confident102 Ų10265.1 Ų65.148%0.47735%0.345SS..EExtended strand (participates in β ladder)trans-127.6142.2-178.3-57.2-171.9152.300111M288 V289 P331M288-E333 HydrophobicContact CB-CB 4.15Å; M288-E333 VanDerWaalsContact CB-OE2 3.31Å; M288-E333 WeakPolarHBondContact CB-OE2 3.3Å; V289-E333 CarbonylContact O-C 3.56Å; V289-E333 WeakPolarHBondContact O-CA 2.97Å; P331-E333 PolarHBondContact O-N 2.95Å
334V89.7Confident81.5Confident0 Ų064.3 Ų64.30%034%0.34CS..EExtended strand (participates in β ladder)trans-111.5125.5-178.3179.20000108.9V289 R291 V294 I319 H320 T323 L324 F336V289-V334 PolarHBondContact N-O 2.8Å; V289-V334 PolarHBondContact O-N 2.88Å; R291-V334 HydrophobicContact CB-CG2 4.28Å; R291-V334 HydrophobicContact CG-CG2 4.43Å; V294-V334 HydrophobicContact CG2-CB 3.77Å; V294-V334 HydrophobicContact CG2-CG1 4.38Å; V294-V334 HydrophobicContact CG2-CG2 3.78Å; I319-V334 HydrophobicContact CG2-CG1 4.31Å; H320-V334 WeakPolarHBondContact O-CG1 3.49Å; T323-V334 HydrophobicContact CG2-CG2 4.37Å; L324-V334 HydrophobicContact CD2-CG2 3.8Å; L324-V334 HydrophobicContact CG-CG2 4.37Å; V334-F336 HydrophobicContact CG1-CD1 4.42Å; V334-F336 HydrophobicContact CG1-CE1 4.17Å
335P93.6Very high83.4Confident26 Ų2661.3 Ų61.317%0.16932%0.324CS..EExtended strand (participates in β ladder)trans-78.7126.8-177.521.9-21.1000112I286 M288 H320I286-P335 HydrophobicContact CG2-CB 3.36Å; M288-P335 HydrophobicContact CE-CB 4.19Å; M288-P335 HydrophobicContact SD-CB 3.8Å; H320-P335 HydrophobicContact CB-CG 3.78Å; H320-P335 PolarHBondContact N-O 3.12Å; H320-P335 VanDerWaalsContact N-O 3.16Å; H320-P335 PolarHBondContact ND1-O 3.37Å
336F95.2Very high85.1Confident0 Ų057.2 Ų57.20%032%0.316CS..EExtended strand (participates in β ladder)trans-105.4112.3170.2-77.242.8000107.7I286 Y287 V289 V294 V297 I298 I305 V317 K318 I319 V334 F338 M352I286-F336 CarbonylContact C-O 3.55Å; I286-F336 WeakPolarHBondContact CA-O 3.39Å; Y287-F336 PolarHBondContact N-O 3.32Å; Y287-F336 PolarHBondContact O-N 2.87Å; V289-F336 HydrophobicContact CB-CD1 4.04Å; V289-F336 HydrophobicContact CB-CE1 3.87Å; V289-F336 HydrophobicContact CB-CZ 4.43Å; V289-F336 HydrophobicContact CG1-CE1 4.36Å; V289-F336 HydrophobicContact CG2-CB 4.46Å; V289-F336 HydrophobicContact CG2-CD1 3.6Å; V289-F336 HydrophobicContact CG2-CD2 4.2Å; V289-F336 HydrophobicContact CG2-CE1 3.78Å; V289-F336 HydrophobicContact CG2-CE2 4.35Å; V289-F336 HydrophobicContact CG2-CG 3.84Å; V289-F336 HydrophobicContact CG2-CZ 4.16Å; V294-F336 HydrophobicContact CG1-CE1 4.16Å; V294-F336 HydrophobicContact CG1-CZ 4.04Å; V294-F336 HydrophobicContact CG2-CE1 4.23Å; V297-F336 HydrophobicContact CG1-CE2 4.33Å; I298-F336 HydrophobicContact CD1-CZ 4.27Å; I298-F336 HydrophobicContact CG1-CE2 4.27Å; I298-F336 HydrophobicContact CG1-CZ 4.06Å; I305-F336 HydrophobicContact CD1-CD2 4.3Å; I305-F336 HydrophobicContact CD1-CE2 4.27Å; V317-F336 HydrophobicContact CG2-CB 4.18Å; V317-F336 HydrophobicContact CG2-CD2 4.16Å; K318-F336 CarbonylContact O-C 3.58Å; K318-F336 WeakPolarHBondContact O-CA 3.36Å; I319-F336 HydrophobicContact CB-CE1 4.47Å; I319-F336 HydrophobicContact CD1-CD2 4.25Å; I319-F336 HydrophobicContact CD1-CE2 3.7Å; I319-F336 HydrophobicContact CD1-CZ 3.88Å; I319-F336 HydrophobicContact CG1-CD1 4.34Å; I319-F336 HydrophobicContact CG1-CD2 3.91Å; I319-F336 HydrophobicContact CG1-CE1 4.27Å; I319-F336 HydrophobicContact CG1-CE2 3.84Å; I319-F336 HydrophobicContact CG1-CG 4.17Å; I319-F336 HydrophobicContact CG1-CZ 4.01Å; I319-F336 HydrophobicContact CG2-CD1 4.03Å; I319-F336 HydrophobicContact CG2-CE1 3.6Å; I319-F336 HydrophobicContact CG2-CZ 3.9Å; V334-F336 HydrophobicContact CG1-CD1 4.42Å; V334-F336 HydrophobicContact CG1-CE1 4.17Å; F336-F338 HydrophobicContact CB-CE2 4.12Å; F336-M352 HydrophobicContact CD2-CE 4.13Å; F336-M352 HydrophobicContact CE2-CE 4.41Å
337T96Very high87Confident10 Ų1053.3 Ų53.36%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-94.8112.7178.3-62.10000110.1D284 E285 V317 K318 H320 I339D284-T337 HydrophobicContact CB-CG2 3.84Å; E285-T337 WeakPolarHBondContact O-CA 3.49Å; V317-T337 CarbonylContact C-O 3.42Å; V317-T337 WeakPolarHBondContact CA-O 3.46Å; K318-T337 PolarHBondContact N-O 3.05Å; K318-T337 PolarHBondContact O-N 3.29Å; H320-T337 PolarHBondContact CE1-OG1 3.1Å; T337-I339 HydrophobicContact CG2-CG1 4.25Å
338F97Very high88.7Confident0 Ų048.9 Ų48.90%027%0.271CS..EExtended strand (participates in β ladder)trans-87.9131.6173.7-69.5-81.7000109.6D284 E285 I305 V314 V317 F336 I345 A348 M352D284-F338 CarbonylContact C-O 3.23Å; D284-F338 VanDerWaalsContact CA-O 3.25Å; D284-F338 WeakPolarHBondContact CA-O 3.46Å; E285-F338 PolarHBondContact N-O 2.81Å; E285-F338 PolarHBondContact O-N 2.93Å; I305-F338 HydrophobicContact CD1-CE1 4.43Å; I305-F338 HydrophobicContact CD1-CZ 4.3Å; V314-F338 HydrophobicContact CG1-CD1 4.43Å; V314-F338 HydrophobicContact CG2-CD1 4.08Å; V317-F338 HydrophobicContact CB-CD1 3.91Å; V317-F338 HydrophobicContact CB-CE1 3.84Å; V317-F338 HydrophobicContact CG2-CD1 3.87Å; V317-F338 HydrophobicContact CG2-CE1 3.64Å; V317-F338 HydrophobicContact CG2-CE2 4.35Å; V317-F338 HydrophobicContact CG2-CG 4.34Å; V317-F338 HydrophobicContact CG2-CZ 3.9Å; F336-F338 HydrophobicContact CB-CE2 4.12Å; F338-I345 HydrophobicContact CB-CG1 4.3Å; F338-I345 HydrophobicContact CB-CG2 4.32Å; F338-A348 HydrophobicContact CD1-CB 3.7Å; F338-A348 HydrophobicContact CE1-CB 3.85Å; F338-A348 HydrophobicContact CG-CB 4.09Å; F338-A348 HydrophobicContact CZ-CB 4.37Å; F338-M352 HydrophobicContact CE2-CG 3.99Å; F338-M352 HydrophobicContact CZ-CE 4.45Å; F338-M352 HydrophobicContact CZ-CG 3.61Å; F338-M352 HydrophobicContact CZ-SD 3.96Å
339I96.6Very high90.3Very high2 Ų245.1 Ų45.11%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-119.7126.9179.8-57.3172.8000107.7L226 L229 D284 V315 R316 K318 T337L226-I339 HydrophobicContact CD1-CG2 4.43Å; L226-I339 HydrophobicContact CD2-CG2 3.55Å; L229-I339 HydrophobicContact CD1-CG2 4.26Å; D284-I339 HydrophobicContact CB-CG1 3.87Å; V315-I339 WeakPolarHBondContact CA-O 3.4Å; V315-I339 WeakPolarHBondContact CB-O 3.37Å; V315-I339 PolarHBondContact N-O 3.42Å; R316-I339 HydrophobicContact CG-CB 4.06Å; R316-I339 HydrophobicContact CG-CD1 4.05Å; R316-I339 HydrophobicContact CG-CG1 4.44Å; R316-I339 PolarHBondContact N-O 2.82Å; R316-I339 PolarHBondContact O-N 2.92Å; K318-I339 HydrophobicContact CD-CD1 3.98Å; K318-I339 HydrophobicContact CG-CD1 4.3Å; T337-I339 HydrophobicContact CG2-CG1 4.25Å
340G96.3Very high91.7Very high0 Ų044.1 Ų44.10%023%0.229CC..EExtended strand (participates in β ladder)trans170.7-165.1-177.700000111.7Y282 G283Y282-G340 WeakPolarHBondContact CA-O 3.04Å; G283-G340 PolarHBondContact N-O 3.14Å; G283-G340 PolarHBondContact O-N 3.38Å
341T96.1Very high93.4Very high19 Ų1945.6 Ų45.612%0.11723%0.233CC..EExtended strand (participates in β ladder)trans-68.5153.3166.864.80000109.5S278 E281 Y282 E343 S344 I345S278-T341 WeakPolarHBondContact O-CG2 3.47Å; E281-T341 CarbonylContact O-C 3.49Å; E281-T341 VanDerWaalsContact O-CA 3.32Å; E281-T341 WeakPolarHBondContact O-CA 3.45Å; Y282-T341 HydrophobicContact CD2-CG2 4.33Å; Y282-T341 HydrophobicContact CE1-CG2 4.08Å; Y282-T341 HydrophobicContact CE2-CG2 3.9Å; T341-E343 PolarHBondContact O-N 3.08Å; T341-S344 PolarHBondContact O-N 3.32Å; T341-S344 VanDerWaalsContact O-N 3.11Å; T341-S344 WeakPolarHBondContact OG1-CB 3.34Å; T341-S344 PolarHBondContact OG1-N 2.87Å; T341-S344 PolarHBondContact OG1-OG 2.91Å; T341-I345 WeakPolarHBondContact O-CG1 3.3Å; T341-I345 PolarHBondContact O-N 2.61Å
342M95Very high94.7Very high45 Ų4542 Ų4222%0.22221%0.21CC..Hα-helixtrans-58.7-33.6178.5-69.5-58.6-6800112.4E281 E285 I345 N346E281-M342 HydrophobicContact CB-CG 4.3Å; E281-M342 HydrophobicContact CG-CB 4.31Å; E281-M342 HydrophobicContact CG-CG 3.55Å; E281-M342 WeakPolarHBondContact O-CG 3.28Å; E281-M342 PolarHBondContact O-N 2.89Å; E285-M342 HydrophobicContact CG-CE 4.36Å; M342-I345 HydrophobicContact SD-CD1 4.31Å; M342-N346 WeakPolarHBondContact O-CB 3.32Å; M342-N346 VanDerWaalsContact O-CG 3.24Å; M342-N346 PolarHBondContact O-N 2.85Å; M342-N346 PolarHBondContact O-ND2 3.4Å
343E94.6Very high95.3Very high112 Ų11238.2 Ų38.252%0.52319%0.193SC..Hα-helixtrans-63-50.1173.3-171.8174.317700111.7S278 T341 I345 N346 N347S278-E343 WeakPolarHBondContact CB-OE2 3.37Å; T341-E343 PolarHBondContact O-N 3.08Å; E343-I345 VanDerWaalsContact C-N 3.34Å; E343-I345 PolarHBondContact O-N 3.43Å; E343-N346 PolarHBondContact O-N 3.22Å; E343-N347 VanDerWaalsContact O-CG 3.29Å; E343-N347 PolarHBondContact O-N 3.27Å; E343-N347 PolarHBondContact O-ND2 3.33Å
344S97Very high95.7Very high9 Ų941.1 Ų41.16%0.06320%0.201CC..Hα-helixtrans-61.6-40.5177-64.20000112.5S312 E313 V314 T341 N347 A348S312-S344 WeakPolarHBondContact O-CA 3.38Å; S312-S344 WeakPolarHBondContact O-CB 3.31Å; S312-S344 PolarHBondContact O-OG 2.89Å; E313-S344 PolarHBondContact O-OG 2.91Å; V314-S344 VanDerWaalsContact CG1-C 3.46Å; V314-S344 VanDerWaalsContact CG1-O 3.27Å; V314-S344 WeakPolarHBondContact CG1-O 3.36Å; T341-S344 PolarHBondContact O-N 3.32Å; T341-S344 VanDerWaalsContact O-N 3.11Å; T341-S344 WeakPolarHBondContact OG1-CB 3.34Å; T341-S344 PolarHBondContact OG1-N 2.87Å; T341-S344 PolarHBondContact OG1-OG 2.91Å; S344-N347 WeakPolarHBondContact O-CB 3.47Å; S344-N347 PolarHBondContact O-N 3.26Å; S344-A348 PolarHBondContact O-N 2.92Å
345I97.2Very high95.9Very high0 Ų043 Ų430%021%0.21CC..Hα-helixtrans-64.1-43.7177.2-67.8169.1000110.6G283 E285 V314 F338 T341 M342 E343 N347 A348 K349G283-I345 VanDerWaalsContact O-CD1 3.28Å; G283-I345 WeakPolarHBondContact O-CD1 3.37Å; E285-I345 HydrophobicContact CB-CG2 3.73Å; E285-I345 HydrophobicContact CG-CG2 3.9Å; E285-I345 VanDerWaalsContact OE2-CG2 3.28Å; E285-I345 WeakPolarHBondContact OE2-CG2 3.45Å; V314-I345 HydrophobicContact CG1-CG1 4.29Å; F338-I345 HydrophobicContact CB-CG1 4.3Å; F338-I345 HydrophobicContact CB-CG2 4.32Å; T341-I345 WeakPolarHBondContact O-CG1 3.3Å; T341-I345 PolarHBondContact O-N 2.61Å; M342-I345 HydrophobicContact SD-CD1 4.31Å; E343-I345 VanDerWaalsContact C-N 3.34Å; E343-I345 PolarHBondContact O-N 3.43Å; I345-N347 VanDerWaalsContact C-N 3.31Å; I345-N347 PolarHBondContact O-N 3.05Å; I345-A348 WeakPolarHBondContact O-CB 3.28Å; I345-A348 PolarHBondContact O-N 3.47Å; I345-A348 VanDerWaalsContact O-N 3.16Å; I345-K349 HydrophobicContact CG2-CD 4.49Å; I345-K349 HydrophobicContact CG2-CG 4.47Å; I345-K349 WeakPolarHBondContact O-CG 3.35Å; I345-K349 PolarHBondContact O-N 3.45Å
346N96.7Very high95.9Very high87 Ų8742.3 Ų42.347%0.46521%0.205SC..Hα-helixtrans-60.7-41.6175.5-77.4-38.7000111.7M342 E343 A348 K349 F350M342-N346 WeakPolarHBondContact O-CB 3.32Å; M342-N346 VanDerWaalsContact O-CG 3.24Å; M342-N346 PolarHBondContact O-N 2.85Å; M342-N346 PolarHBondContact O-ND2 3.4Å; E343-N346 PolarHBondContact O-N 3.22Å; N346-A348 PolarHBondContact O-N 3.12Å; N346-K349 PolarHBondContact O-N 2.8Å; N346-F350 WeakPolarHBondContact O-CB 3.42Å; N346-F350 PolarHBondContact O-N 3.07Å
347N96.8Very high95.7Very high73 Ų7350.4 Ų50.439%0.3924%0.235SC..Hα-helixtrans-60.9-43.4173.7-67.6-25.3000111.7E343 S344 I345 F350 L351E343-N347 VanDerWaalsContact O-CG 3.29Å; E343-N347 PolarHBondContact O-N 3.27Å; E343-N347 PolarHBondContact O-ND2 3.33Å; S344-N347 WeakPolarHBondContact O-CB 3.47Å; S344-N347 PolarHBondContact O-N 3.26Å; I345-N347 VanDerWaalsContact C-N 3.31Å; I345-N347 PolarHBondContact O-N 3.05Å; N347-F350 PolarHBondContact O-N 2.93Å; N347-L351 WeakPolarHBondContact O-CG 3.24Å; N347-L351 PolarHBondContact O-N 2.91Å
348A97.2Very high95.6Very high0 Ų053.9 Ų53.90%025%0.25CS..Hα-helixtrans-62.1-46.6176.600000111.6S312 V314 F338 S344 I345 N346 F350 L351 M352S312-A348 VanDerWaalsContact CB-N 3.33Å; S312-A348 WeakPolarHBondContact OG-CB 3.38Å; V314-A348 HydrophobicContact CG1-CB 3.74Å; F338-A348 HydrophobicContact CD1-CB 3.7Å; F338-A348 HydrophobicContact CE1-CB 3.85Å; F338-A348 HydrophobicContact CG-CB 4.09Å; F338-A348 HydrophobicContact CZ-CB 4.37Å; S344-A348 PolarHBondContact O-N 2.92Å; I345-A348 WeakPolarHBondContact O-CB 3.28Å; I345-A348 PolarHBondContact O-N 3.47Å; I345-A348 VanDerWaalsContact O-N 3.16Å; N346-A348 PolarHBondContact O-N 3.12Å; A348-F350 VanDerWaalsContact C-N 3.31Å; A348-F350 PolarHBondContact O-N 3.35Å; A348-L351 PolarHBondContact O-N 3.33Å; A348-M352 WeakPolarHBondContact O-CB 3.32Å; A348-M352 WeakPolarHBondContact O-CG 3.32Å; A348-M352 PolarHBondContact O-N 3.43Å
349K96.4Very high95.4Very high53 Ų5354.9 Ų54.923%0.2326%0.256CS..Hα-helixtrans-60.8-39.7176.9-71.3-170.6166.5178.10112.2E285 Y287 I345 N346 M352 T353E285-K349 VanDerWaalsContact CD-NZ 3.26Å; E285-K349 IonicContact OE1-NZ 2.77Å; E285-K349 WeakPolarHBondContact OE2-CE 3.47Å; E285-K349 IonicContact OE2-NZ 3.51Å; E285-K349 PolarHBondContact OE2-NZ 3.44Å; Y287-K349 HydrophobicContact CD2-CB 4.18Å; Y287-K349 HydrophobicContact CD2-CD 4.41Å; Y287-K349 HydrophobicContact CD2-CG 3.87Å; Y287-K349 HydrophobicContact CE2-CB 4.38Å; I345-K349 HydrophobicContact CG2-CD 4.49Å; I345-K349 HydrophobicContact CG2-CG 4.47Å; I345-K349 WeakPolarHBondContact O-CG 3.35Å; I345-K349 PolarHBondContact O-N 3.45Å; N346-K349 PolarHBondContact O-N 2.8Å; K349-M352 PolarHBondContact O-N 2.79Å; K349-T353 WeakPolarHBondContact O-CB 3.36Å; K349-T353 PolarHBondContact O-N 2.82Å; K349-T353 PolarHBondContact O-OG1 3.18Å
350F96.6Very high95.1Very high144 Ų14460.2 Ų60.263%0.63228%0.279SS*.Hα-helixtrans-61.6-51.2175.3176.9-96.9000111.4N346 N347 A348 M352 T353 Y354N346-F350 WeakPolarHBondContact O-CB 3.42Å; N346-F350 PolarHBondContact O-N 3.07Å; N347-F350 PolarHBondContact O-N 2.93Å; A348-F350 VanDerWaalsContact C-N 3.31Å; A348-F350 PolarHBondContact O-N 3.35Å; F350-M352 VanDerWaalsContact C-N 3.34Å; F350-M352 PolarHBondContact O-N 2.86Å; F350-T353 PolarHBondContact O-N 2.77Å; F350-Y354 PolarHBondContact O-N 2.79Å
351L96.4Very high94.9Very high47 Ų4764.7 Ų64.725%0.24630%0.3CS..Hα-helixtrans-60.2-43177.5-70.1174.9000112I308 K311 N347 A348 Y354 H355I308-L351 HydrophobicContact CG1-CB 4.39Å; I308-L351 HydrophobicContact CG2-CB 4.02Å; I308-L351 HydrophobicContact CG2-CD1 4.27Å; K311-L351 HydrophobicContact CB-CD1 3.75Å; N347-L351 WeakPolarHBondContact O-CG 3.24Å; N347-L351 PolarHBondContact O-N 2.91Å; A348-L351 PolarHBondContact O-N 3.33Å; L351-Y354 PolarHBondContact O-N 3.16Å; L351-H355 VanDerWaalsContact O-CB 3.28Å; L351-H355 WeakPolarHBondContact O-CB 3.18Å; L351-H355 PolarHBondContact O-N 3.23Å
352M96Very high94.6Very high0 Ų066.4 Ų66.40%031%0.307CS..Hα-helixtrans-60.9-45.6176.5-75.4-68.2-63.500112Y287 V289 V297 I305 I308 F336 F338 A348 K349 F350 H355 L356Y287-M352 HydrophobicContact CD1-CB 4.39Å; Y287-M352 HydrophobicContact CD1-CE 4.08Å; Y287-M352 HydrophobicContact CD2-CB 4.48Å; Y287-M352 HydrophobicContact CE1-CB 4.13Å; Y287-M352 HydrophobicContact CE1-CE 4.29Å; Y287-M352 HydrophobicContact CE2-CB 4.16Å; V289-M352 HydrophobicContact CG2-CE 3.77Å; V297-M352 HydrophobicContact CG1-CE 3.5Å; V297-M352 VanDerWaalsContact CG1-CE 3.5Å; V297-M352 HydrophobicContact CG1-SD 3.88Å; I305-M352 HydrophobicContact CD1-SD 3.92Å; I308-M352 HydrophobicContact CD1-CG 4.43Å; I308-M352 HydrophobicContact CD1-SD 3.6Å; I308-M352 VanDerWaalsContact CD1-SD 3.6Å; I308-M352 HydrophobicContact CG2-CG 4.21Å; I308-M352 HydrophobicContact CG2-SD 4.33Å; F336-M352 HydrophobicContact CD2-CE 4.13Å; F336-M352 HydrophobicContact CE2-CE 4.41Å; F338-M352 HydrophobicContact CE2-CG 3.99Å; F338-M352 HydrophobicContact CZ-CE 4.45Å; F338-M352 HydrophobicContact CZ-CG 3.61Å; F338-M352 HydrophobicContact CZ-SD 3.96Å; A348-M352 WeakPolarHBondContact O-CB 3.32Å; A348-M352 WeakPolarHBondContact O-CG 3.32Å; A348-M352 PolarHBondContact O-N 3.43Å; K349-M352 PolarHBondContact O-N 2.79Å; F350-M352 VanDerWaalsContact C-N 3.34Å; F350-M352 PolarHBondContact O-N 2.86Å; M352-H355 PolarHBondContact O-N 2.85Å; M352-L356 HydrophobicContact CE-CD1 4.49Å; M352-L356 VanDerWaalsContact O-CB 3.3Å; M352-L356 WeakPolarHBondContact O-CB 3.43Å; M352-L356 PolarHBondContact O-N 2.71Å
353T94.4Very high94.2Very high74 Ų7466.5 Ų66.545%0.45431%0.307SS..Hα-helixtrans-63.6-45.7-179.7-58.50000111.3Y287 K349 F350 R357Y287-T353 WeakPolarHBondContact CE2-OG1 3.4Å; Y287-T353 VanDerWaalsContact OH-CA 3.26Å; Y287-T353 WeakPolarHBondContact OH-CA 3.3Å; Y287-T353 PolarHBondContact OH-N 2.81Å; Y287-T353 PolarHBondContact OH-OG1 3.13Å; K349-T353 WeakPolarHBondContact O-CB 3.36Å; K349-T353 PolarHBondContact O-N 2.82Å; K349-T353 PolarHBondContact O-OG1 3.18Å; F350-T353 PolarHBondContact O-N 2.77Å; T353-R357 WeakPolarHBondContact O-CB 3.48Å; T353-R357 PolarHBondContact O-N 2.91Å
354Y95.1Very high93.9Very high162 Ų16263.7 Ų63.764%0.63530%0.303SS*.Hα-helixtrans-60.3-48.6174.8179.7-93.1000111.3F350 L351 L356 R357 H358F350-Y354 PolarHBondContact O-N 2.79Å; L351-Y354 PolarHBondContact O-N 3.16Å; Y354-L356 PolarHBondContact O-N 2.85Å; Y354-R357 PolarHBondContact O-N 2.81Å; Y354-H358 PolarHBondContact O-N 2.88Å
355H93.5Very high93.5Very high41 Ų4168 Ų6819%0.1933%0.325CS..Hα-helixtrans-64.3-42.7-177.7-170.266.9000112.4L351 M352 H358 L359L351-H355 VanDerWaalsContact O-CB 3.28Å; L351-H355 WeakPolarHBondContact O-CB 3.18Å; L351-H355 PolarHBondContact O-N 3.23Å; M352-H355 PolarHBondContact O-N 2.85Å; H355-H358 PolarHBondContact O-N 3.45Å; H355-L359 WeakPolarHBondContact NE2-CD1 3.2Å; H355-L359 WeakPolarHBondContact O-CG 3.23Å; H355-L359 PolarHBondContact O-N 2.94Å
356L93.4Very high93.1Very high11 Ų1174.4 Ų74.46%0.05835%0.349CS..Hα-helixtrans-64.4-41.2177.1-88.3168.3000113Y287 V289 M293 V297 M352 Y354 H358 L359 K360Y287-L356 HydrophobicContact CD1-CD1 4.45Å; Y287-L356 HydrophobicContact CE1-CD1 3.4Å; Y287-L356 VanDerWaalsContact CE1-CD1 3.4Å; V289-L356 HydrophobicContact CG1-CD2 4.23Å; V289-L356 HydrophobicContact CG2-CD1 4.44Å; M293-L356 HydrophobicContact CB-CD2 3.96Å; M293-L356 HydrophobicContact CG-CD2 4.42Å; V297-L356 HydrophobicContact CG2-CD2 3.38Å; V297-L356 HydrophobicContact CG2-CG 3.88Å; M352-L356 HydrophobicContact CE-CD1 4.49Å; M352-L356 VanDerWaalsContact O-CB 3.3Å; M352-L356 WeakPolarHBondContact O-CB 3.43Å; M352-L356 PolarHBondContact O-N 2.71Å; Y354-L356 PolarHBondContact O-N 2.85Å; L356-H358 VanDerWaalsContact C-N 3.35Å; L356-L359 PolarHBondContact O-N 2.84Å; L356-K360 WeakPolarHBondContact O-CG 3.29Å; L356-K360 PolarHBondContact O-N 2.95Å
357R92.9Very high92.6Very high169 Ų16975.3 Ų75.364%0.63835%0.35SS*.Hα-helixtrans-60.4-47.9174.2179.9177.9174.7162.11.5110.6T353 Y354 L359 K360 E361T353-R357 WeakPolarHBondContact O-CB 3.48Å; T353-R357 PolarHBondContact O-N 2.91Å; Y354-R357 PolarHBondContact O-N 2.81Å; R357-L359 VanDerWaalsContact C-N 3.32Å; R357-L359 PolarHBondContact O-N 3.22Å; R357-K360 PolarHBondContact O-N 2.88Å; R357-E361 WeakPolarHBondContact CG-OE1 3.44Å; R357-E361 IonicContact CZ-OE1 3.47Å; R357-E361 IonicContact NE-OE1 3.78Å; R357-E361 PolarHBondContact NE-OE1 3.46Å; R357-E361 IonicContact NH2-OE1 3.33Å; R357-E361 WeakPolarHBondContact O-CG 3.28Å; R357-E361 PolarHBondContact O-N 2.88Å
358H93.3Very high92.2Very high83 Ų8377.3 Ų77.338%0.38436%0.357SS..Hα-helixtrans-59.5-41.5177-179.266.3000112.3Y354 H355 L356 E361 M362Y354-H358 PolarHBondContact O-N 2.88Å; H355-H358 PolarHBondContact O-N 3.45Å; L356-H358 VanDerWaalsContact C-N 3.35Å; H358-E361 PolarHBondContact O-N 2.81Å; H358-M362 WeakPolarHBondContact O-CB 3.44Å; H358-M362 VanDerWaalsContact O-CG 3.28Å; H358-M362 WeakPolarHBondContact O-CG 3.32Å; H358-M362 PolarHBondContact O-N 2.83Å
359L92.2Very high91.6Very high22 Ų2279.9 Ų79.912%0.11538%0.379CS..Hα-helixtrans-64.2-39.7176.4-74176.8000113M293 K296 V297 H355 L356 R357 M362 E363M293-L359 HydrophobicContact SD-CB 4.21Å; K296-L359 HydrophobicContact CB-CD1 3.76Å; K296-L359 HydrophobicContact CB-CD2 4.09Å; V297-L359 HydrophobicContact CB-CD1 4.39Å; V297-L359 HydrophobicContact CG2-CD1 3.55Å; H355-L359 WeakPolarHBondContact NE2-CD1 3.2Å; H355-L359 WeakPolarHBondContact O-CG 3.23Å; H355-L359 PolarHBondContact O-N 2.94Å; L356-L359 PolarHBondContact O-N 2.84Å; R357-L359 VanDerWaalsContact C-N 3.32Å; R357-L359 PolarHBondContact O-N 3.22Å; L359-M362 PolarHBondContact O-N 2.88Å; L359-E363 WeakPolarHBondContact O-CB 3.38Å; L359-E363 PolarHBondContact O-N 2.83Å
360K91.1Very high91.1Very high114 Ų11483.2 Ų83.250%0.49640%0.397SS..Hα-helixtrans-63-48.2175-77.2176.9178.5-176.10111.3M293 L356 R357 M362 E363 A364M293-K360 HydrophobicContact CE-CB 4.39Å; M293-K360 HydrophobicContact CE-CG 3.66Å; L356-K360 WeakPolarHBondContact O-CG 3.29Å; L356-K360 PolarHBondContact O-N 2.95Å; R357-K360 PolarHBondContact O-N 2.88Å; K360-M362 VanDerWaalsContact C-N 3.34Å; K360-M362 PolarHBondContact O-N 2.86Å; K360-E363 PolarHBondContact O-N 2.89Å; K360-A364 PolarHBondContact O-N 2.69Å
361E91.1Very high90.6Very high93 Ų9381.6 Ų81.644%0.43539%0.391SS..Hα-helixtrans-60.2-44.3176.9-70.8172-17400111.1R357 H358 E363 A364 L365R357-E361 WeakPolarHBondContact CG-OE1 3.44Å; R357-E361 IonicContact CZ-OE1 3.47Å; R357-E361 IonicContact NE-OE1 3.78Å; R357-E361 PolarHBondContact NE-OE1 3.46Å; R357-E361 IonicContact NH2-OE1 3.33Å; R357-E361 WeakPolarHBondContact O-CG 3.28Å; R357-E361 PolarHBondContact O-N 2.88Å; H358-E361 PolarHBondContact O-N 2.81Å; E361-E363 VanDerWaalsContact C-N 3.31Å; E361-E363 PolarHBondContact O-N 3.45Å; E361-A364 PolarHBondContact O-N 2.85Å; E361-L365 WeakPolarHBondContact O-CG 3.08Å; E361-L365 PolarHBondContact O-N 2.71Å
362M89.3Confident89.9Confident56 Ų5682.8 Ų82.828%0.27640%0.4SS..Hα-helixtrans-67.1-26176.5-76.5-59.2-45.500114.2H358 L359 K360 R366H358-M362 WeakPolarHBondContact O-CB 3.44Å; H358-M362 VanDerWaalsContact O-CG 3.28Å; H358-M362 WeakPolarHBondContact O-CG 3.32Å; H358-M362 PolarHBondContact O-N 2.83Å; L359-M362 PolarHBondContact O-N 2.88Å; K360-M362 VanDerWaalsContact C-N 3.34Å; K360-M362 PolarHBondContact O-N 2.86Å; M362-R366 WeakPolarHBondContact O-CB 3.47Å; M362-R366 VanDerWaalsContact O-CG 3.28Å; M362-R366 WeakPolarHBondContact O-CG 3.25Å; M362-R366 PolarHBondContact O-N 2.92Å; M362-R366 PolarHBondContact O-NH1 2.83Å
363E87.4Confident89.2Confident47 Ų4785.6 Ų85.622%0.2242%0.419CS..Hα-helixtrans-77.6-42.1174.4-178.5150.3-133.700111.5M293 K296 L359 K360 E361 L365 R366 Q367M293-E363 HydrophobicContact CE-CB 4.39Å; M293-E363 WeakPolarHBondContact CE-OE2 3.44Å; K296-E363 IonicContact NZ-OE1 2.73Å; K296-E363 PolarHBondContact NZ-OE1 3.46Å; K296-E363 IonicContact NZ-OE2 3.28Å; K296-E363 PolarHBondContact NZ-OE2 2.6Å; L359-E363 WeakPolarHBondContact O-CB 3.38Å; L359-E363 PolarHBondContact O-N 2.83Å; K360-E363 PolarHBondContact O-N 2.89Å; E361-E363 VanDerWaalsContact C-N 3.31Å; E361-E363 PolarHBondContact O-N 3.45Å; E363-L365 PolarHBondContact O-N 3.45Å; E363-R366 PolarHBondContact O-N 2.76Å; E363-Q367 WeakPolarHBondContact O-CG 3.47Å; E363-Q367 PolarHBondContact O-N 2.9Å
364A88.1Confident88.7Confident53 Ų5390.5 Ų90.544%0.43843%0.43SS..Hα-helixtrans-57.9-48.5173.500000111.3K360 E361 R366 Q367 E368K360-A364 PolarHBondContact O-N 2.69Å; E361-A364 PolarHBondContact O-N 2.85Å; A364-R366 VanDerWaalsContact C-N 3.31Å; A364-R366 PolarHBondContact O-N 3.4Å; A364-Q367 PolarHBondContact O-N 2.91Å; A364-E368 PolarHBondContact O-N 2.64Å
365L88.1Confident88.1Confident99 Ų9988.5 Ų88.552%0.51843%0.426SS..Hα-helixtrans-62.4-35.3177.2-70.7172.9000113E361 E363 A369E361-L365 WeakPolarHBondContact O-CG 3.08Å; E361-L365 PolarHBondContact O-N 2.71Å; E363-L365 PolarHBondContact O-N 3.45Å; L365-A369 WeakPolarHBondContact O-CB 3.35Å; L365-A369 PolarHBondContact O-N 2.56Å
366R88.7Confident87.3Confident134 Ų13492 Ų9251%0.50645%0.446SS..Hα-helixtrans-69.3-39.2175.6-81.4-175.9-172.8100.8-2.6112.2M362 E363 A364 M370M362-R366 WeakPolarHBondContact O-CB 3.47Å; M362-R366 VanDerWaalsContact O-CG 3.28Å; M362-R366 WeakPolarHBondContact O-CG 3.25Å; M362-R366 PolarHBondContact O-N 2.92Å; M362-R366 PolarHBondContact O-NH1 2.83Å; E363-R366 PolarHBondContact O-N 2.76Å; A364-R366 VanDerWaalsContact C-N 3.31Å; A364-R366 PolarHBondContact O-N 3.4Å; R366-M370 HydrophobicContact CB-CE 4.09Å; R366-M370 WeakPolarHBondContact O-CB 3.46Å; R366-M370 WeakPolarHBondContact O-CE 3.49Å; R366-M370 WeakPolarHBondContact O-CG 3.36Å; R366-M370 PolarHBondContact O-N 3.48Å
367Q87.4Confident86.3Confident106 Ų106100.5 Ų100.550%0.49548%0.478SS..Hα-helixtrans-63.8-46.5176.2-72.6173.8-0.700110.3E363 A364 A369 M370 E371E363-Q367 WeakPolarHBondContact O-CG 3.47Å; E363-Q367 PolarHBondContact O-N 2.9Å; A364-Q367 PolarHBondContact O-N 2.91Å; Q367-A369 PolarHBondContact O-N 3.18Å; Q367-M370 PolarHBondContact O-N 3.26Å; Q367-E371 WeakPolarHBondContact O-CG 3.19Å; Q367-E371 PolarHBondContact O-N 2.83Å
368E87.7Confident85.3Confident116 Ų11696.6 Ų96.654%0.54248%0.477SS..Hα-helixtrans-59.8-46.3175.8-170.7179.2-177.800111.9A364 M370 E371 V372A364-E368 PolarHBondContact O-N 2.64Å; E368-M370 VanDerWaalsContact C-N 3.29Å; E368-M370 PolarHBondContact O-N 2.92Å; E368-E371 PolarHBondContact O-N 3.24Å; E368-E371 VanDerWaalsContact O-N 3.17Å; E368-V372 WeakPolarHBondContact O-CG2 3.44Å; E368-V372 PolarHBondContact O-N 2.78Å
369A85.2Confident83.9Confident54 Ų5497.6 Ų97.645%0.44649%0.493SS..Hα-helixtrans-61.3-36176.700000113.1L365 Q367 S373L365-A369 WeakPolarHBondContact O-CB 3.35Å; L365-A369 PolarHBondContact O-N 2.56Å; Q367-A369 PolarHBondContact O-N 3.18Å; A369-S373 WeakPolarHBondContact O-CB 3.48Å; A369-S373 PolarHBondContact O-N 3.01Å; A369-S373 PolarHBondContact O-OG 2.92Å
370M85.6Confident82.4Confident123 Ų123107.2 Ų107.261%0.60653%0.528SS*.Hα-helixtrans-69.8-40.3174.6-79.2-173.9-103.600112R366 Q367 E368 S373 R374R366-M370 HydrophobicContact CB-CE 4.09Å; R366-M370 WeakPolarHBondContact O-CB 3.46Å; R366-M370 WeakPolarHBondContact O-CE 3.49Å; R366-M370 WeakPolarHBondContact O-CG 3.36Å; R366-M370 PolarHBondContact O-N 3.48Å; Q367-M370 PolarHBondContact O-N 3.26Å; E368-M370 VanDerWaalsContact C-N 3.29Å; E368-M370 PolarHBondContact O-N 2.92Å; M370-S373 PolarHBondContact O-N 3.4Å; M370-R374 WeakPolarHBondContact O-CB 3.29Å; M370-R374 PolarHBondContact O-N 3.21Å
371E85.3Confident80.3Confident109 Ų109104.7 Ų104.751%0.50953%0.534SS..Hα-helixtrans-64.4-45.6176.4-74.6-178-178.100112Q367 E368 S373 R374 Q375Q367-E371 WeakPolarHBondContact O-CG 3.19Å; Q367-E371 PolarHBondContact O-N 2.83Å; E368-E371 PolarHBondContact O-N 3.24Å; E368-E371 VanDerWaalsContact O-N 3.17Å; E371-S373 PolarHBondContact O-N 2.87Å; E371-R374 WeakPolarHBondContact O-CB 3.26Å; E371-R374 PolarHBondContact O-N 3.49Å; E371-Q375 WeakPolarHBondContact O-CG 3.41Å; E371-Q375 PolarHBondContact O-N 2.89Å
372V81.4Confident78.3Confident72 Ų72111.9 Ų111.944%0.43656%0.557SS.*Hα-helixtrans-60.4-45.6175.3173.30000110.6E368 R374 Q375 L376E368-V372 WeakPolarHBondContact O-CG2 3.44Å; E368-V372 PolarHBondContact O-N 2.78Å; V372-R374 VanDerWaalsContact C-N 3.32Å; V372-R374 PolarHBondContact O-N 3.27Å; V372-Q375 PolarHBondContact O-N 2.93Å; V372-L376 HydrophobicContact CG1-CD1 4.45Å; V372-L376 WeakPolarHBondContact O-CG 3.3Å; V372-L376 PolarHBondContact O-N 2.7Å; V372-L376 VanDerWaalsContact O-N 3.1Å
373S81.9Confident76Confident59 Ų59116.7 Ų116.741%0.41358%0.583SS.*Hα-helixtrans-60.6-42.5176.6-61.30000111.6A369 M370 E371 Q375 L376 Y377A369-S373 WeakPolarHBondContact O-CB 3.48Å; A369-S373 PolarHBondContact O-N 3.01Å; A369-S373 PolarHBondContact O-OG 2.92Å; M370-S373 PolarHBondContact O-N 3.4Å; E371-S373 PolarHBondContact O-N 2.87Å; S373-Q375 PolarHBondContact O-N 2.81Å; S373-L376 PolarHBondContact O-N 2.77Å; S373-Y377 WeakPolarHBondContact O-CD2 3.22Å; S373-Y377 PolarHBondContact O-N 2.84Å; S373-Y377 VanDerWaalsContact O-N 3.08Å
374R83.9Confident74Confident177 Ų177121 Ų12167%0.66861%0.612SS**Hα-helixtrans-62.2-42.5177.2-170.2178.775.41591111.7M370 E371 V372 L376 Y377 S378M370-R374 WeakPolarHBondContact O-CB 3.29Å; M370-R374 PolarHBondContact O-N 3.21Å; E371-R374 WeakPolarHBondContact O-CB 3.26Å; E371-R374 PolarHBondContact O-N 3.49Å; V372-R374 VanDerWaalsContact C-N 3.32Å; V372-R374 PolarHBondContact O-N 3.27Å; R374-L376 VanDerWaalsContact C-N 3.3Å; R374-L376 PolarHBondContact O-N 3.37Å; R374-Y377 PolarHBondContact O-N 3.08Å; R374-S378 WeakPolarHBondContact O-CB 3.42Å; R374-S378 PolarHBondContact O-N 3.25Å; R374-S378 PolarHBondContact O-OG 2.91Å
375Q82.4Confident72Confident120 Ų120123.6 Ų123.656%0.56163%0.625SS**Hα-helixtrans-62.7-36.7177-70.8177.417.600112.1E371 V372 S373 S379E371-Q375 WeakPolarHBondContact O-CG 3.41Å; E371-Q375 PolarHBondContact O-N 2.89Å; V372-Q375 PolarHBondContact O-N 2.93Å; S373-Q375 PolarHBondContact O-N 2.81Å; Q375-S379 VanDerWaalsContact O-CB 3.3Å; Q375-S379 WeakPolarHBondContact O-CB 3.13Å; Q375-S379 PolarHBondContact O-N 3.18Å; Q375-S379 PolarHBondContact O-OG 3.33Å
376L76.1Confident69.7Low114 Ų114124.8 Ų124.860%0.59764%0.638SS**Hα-helixtrans-68.6-39.8176.3-69.7172.9000112.4V372 S373 R374 S379 R380V372-L376 HydrophobicContact CG1-CD1 4.45Å; V372-L376 WeakPolarHBondContact O-CG 3.3Å; V372-L376 PolarHBondContact O-N 2.7Å; V372-L376 VanDerWaalsContact O-N 3.1Å; S373-L376 PolarHBondContact O-N 2.77Å; R374-L376 VanDerWaalsContact C-N 3.3Å; R374-L376 PolarHBondContact O-N 3.37Å; L376-S379 PolarHBondContact O-N 3.39Å; L376-R380 PolarHBondContact O-N 3.45Å
377Y73Confident67.3Low190 Ų190127.7 Ų127.775%0.74566%0.657SS**Hα-helixtrans-67.2-42.7174.9-80.8-72.2000112.2S373 R374 S379 R380 G381S373-Y377 WeakPolarHBondContact O-CD2 3.22Å; S373-Y377 PolarHBondContact O-N 2.84Å; S373-Y377 VanDerWaalsContact O-N 3.08Å; R374-Y377 PolarHBondContact O-N 3.08Å; Y377-S379 VanDerWaalsContact C-N 3.33Å; Y377-S379 PolarHBondContact O-N 3.21Å; Y377-R380 PolarHBondContact O-N 3.03Å; Y377-G381 PolarHBondContact O-N 3.25Å
378S71.2Confident64.7Low87 Ų87126.1 Ų126.161%0.60867%0.67SS**Hα-helixtrans-63.1-39.2176.1-56.40000112.1R374 R380 G381R374-S378 WeakPolarHBondContact O-CB 3.42Å; R374-S378 PolarHBondContact O-N 3.25Å; R374-S378 PolarHBondContact O-OG 2.91Å; S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.35Å; S378-G381 PolarHBondContact O-N 3.35Å
379S64.6Low62.1Low104 Ų104124.7 Ų124.773%0.72768%0.677SS**Hα-helixtrans-70.3-23.2179.5-59.60000113.3Q375 L376 Y377Q375-S379 VanDerWaalsContact O-CB 3.3Å; Q375-S379 WeakPolarHBondContact O-CB 3.13Å; Q375-S379 PolarHBondContact O-N 3.18Å; Q375-S379 PolarHBondContact O-OG 3.33Å; L376-S379 PolarHBondContact O-N 3.39Å; Y377-S379 VanDerWaalsContact C-N 3.33Å; Y377-S379 PolarHBondContact O-N 3.21Å
380R60.5Low59.6Low224 Ų224131.3 Ų131.385%0.84570%0.696SS**THydrogen-bonded Turntrans-94.14.9175.6-85.9179.7167.4173.8-3.1114.1L376 Y377 S378 R382L376-R380 PolarHBondContact O-N 3.45Å; Y377-R380 PolarHBondContact O-N 3.03Å; S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.35Å; R380-R382 PolarHBondContact O-N 3.09Å
381G47.1Very low57.3Low61 Ų61132.4 Ų132.463%0.62971%0.705SS**  trans-83.125.6-174.200000118.3Y377 S378Y377-G381 PolarHBondContact O-N 3.25Å; S378-G381 PolarHBondContact O-N 3.35Å
382R48.9Very low55.1Low244 Ų244131.5 Ų131.592%0.92172%0.716SS**SBendtrans-139.753.6165.6-78.4-162-172-1704.1112.6R380R380-R382 PolarHBondContact O-N 3.09Å
383I42.7Very low53Low158 Ų158133.5 Ų133.581%0.8173%0.731SS**  trans-144.4102.7155-52.9179.8000108.9
384T44.1Very low50.8Low137 Ų137141.4 Ų141.484%0.8475%0.751SS**  trans-88.3160.6160.230000109.3
385P47Very low48.6Very low107 Ų107138.3 Ų138.370%0.69575%0.753SS**  -124.2173.1-106.137-20.6000114.5
386P40Very low46.2Very low124 Ų124139.5 Ų139.581%0.80576%0.758SS**  trans-118.9125.1155.726.3-9.6000113.7
387H37.9Very low44.6Very low196 Ų196144.6 Ų144.691%0.90777%0.769SS**  trans-19.2142.4148.8-69.8-81.8000117.3
388G33.4Very low42.8Very low73 Ų73141.3 Ų141.375%0.75377%0.771SS**  trans14179.7161.900000111.8
389A32Very low41.2Very low85 Ų85148.2 Ų148.270%0.70279%0.785SS**  91.4106.79100000112.9
390F32.3Very low39.9Very low193 Ų193150.8 Ų150.885%0.84679%0.791SS**  trans62119.3152.3-67.2-101.4000116.8
391N37.1Very low39.3Very low146 Ų146145.4 Ų145.478%0.78179%0.788SS**  cis-161.614437.3-97.1-28.9000110
392A38.9Very low38.8Very low90 Ų90151 Ų15174%0.74480%0.798SS**  trans-70.2176.615900000110.4
393P39.1Very low38.5Very low115 Ų115146.8 Ų146.875%0.74779%0.793SS**  cis-139.4-168.84.837.6-16000114.1
394R35.3Very low38.3Very low224 Ų224147.3 Ų147.385%0.84579%0.792SS**  trans102.598.9146.9-142.2168.4-165.2157.72.9115.5
395T36.2Very low38.3Very low113 Ų113144.8 Ų144.869%0.69378%0.78SS**  74.6142.890.9-47.50000113
396E33Very low38.1Very low144 Ų144148.4 Ų148.467%0.67379%0.79SS**  trans96.5101.3168.6-51.9-66.7148.600114.2
397R42.3Very low38.1Very low222 Ų222150.8 Ų150.884%0.83880%0.795SS**  80.6147.874.8-87.4-172165.5165.2-2.9114.1
398P34.4Very low38.4Very low120 Ų120146.5 Ų146.578%0.77979%0.785SS**  trans-85.4146.8-150.920.2-7.4000113.8N400P398-N400 PolarHBondContact O-N 3.15Å; P398-N400 VanDerWaalsContact O-N 3.07Å
399Y38.7Very low38.8Very low233 Ų233150.6 Ų150.691%0.91479%0.786SS**  trans-59.8103.6174.9-118-100.3000111
400N37.9Very low39.1Very low158 Ų158157.7 Ų157.785%0.84579%0.794SS**PPolyproline II helixtrans-102.3121.3153.2-120.87000105.3P398P398-N400 PolarHBondContact O-N 3.15Å; P398-N400 VanDerWaalsContact O-N 3.07Å
401S46.4Very low39.4Very low111 Ų111152.1 Ų152.178%0.77679%0.792SS**PPolyproline II helixtrans-89.5116.4175.8-169.10000109.7
402E38Very low39.5Very low179 Ų179157.3 Ų157.384%0.83680%0.801SS**PPolyproline II helixtrans-66.2152.8164.7-61.5172.7131.600111.7
403N41.7Very low39.4Very low154 Ų154156.7 Ų156.782%0.82480%0.802SS**  168.1124.6119.6-129.52.5000108
404E39.3Very low39.3Very low170 Ų170155.3 Ų155.379%0.79481%0.809SS**  173.6155.883.2-101-167107.800105.1
405S43.9Very low39.4Very low83 Ų83147.6 Ų147.658%0.5880%0.799SS**  cis-177.1161.4-2.845.90000106.1
406M43.3Very low39.7Very low184 Ų184153.3 Ų153.391%0.90681%0.81SS**  trans93.3121.2160.7-52.9-73.1-162.300120.2
407L39.7Very low40.2Very low174 Ų174158.3 Ų158.391%0.91182%0.822SS**  trans-105.9-177.4-166.8-94.6173.5000111.9
408P42.7Very low40Very low106 Ų106151.6 Ų151.669%0.68882%0.823SS**  trans-107.6-179.5-143.643.8-37.5000114.6
409M42.3Very low40.2Very low158 Ų158149.5 Ų149.578%0.77882%0.823SS**  trans-179.5128.9139.8-99.5-62.4176.300114.6
410R38.2Very low40.1Very low234 Ų234150.5 Ų150.588%0.88383%0.825SS**  trans39.4121.3141.3-80.8179.3172.2-177.7-2.2121.8
411G38.3Very low40Very low77 Ų77147.9 Ų147.979%0.79483%0.825SS**  trans-173.770.4159.900000116.6
412R39.5Very low39.4Very low255 Ų255145.9 Ų145.996%0.96282%0.822SS**  trans54.1105.3137.9-149.6-177.3-160.5-167.45120.2
413G36Very low39.4Very low76 Ų76148.6 Ų148.678%0.78482%0.824SS**  103.3115.5115.300000119.6
414G37.6Very low39.1Very low86 Ų86150.1 Ų150.189%0.88782%0.824SS**  trans72.6127.8149.800000115.8
415G37.6Very low39.1Very low62 Ų62151 Ų15164%0.63983%0.83SS**  cis13612824.100000107
416Y42.8Very low38.8Very low233 Ų233158.1 Ų158.191%0.91484%0.844SS**  trans94.8124.7161-58.4-78.2000121.2
417R43.4Very low38.3Very low249 Ų249153 Ų15394%0.9484%0.839SS**  trans76.1105.4167.6-66.5-174.7174.9-178.7-1115.5
418G38.8Very low38Very low82 Ų82152.6 Ų152.685%0.84583%0.832SS**  cis98.987.135.900000109
419G37.6Very low37.4Very low75 Ų75156.1 Ų156.177%0.77385%0.845SS**  101.786.5118.500000111
420R37.9Very low37.2Very low255 Ų255153.7 Ų153.796%0.96284%0.839SS**  62.5118.770.5-128.7-169.5-163.5-172.54.9114.8
421A36Very low36.9Very low102 Ų102147.7 Ų147.784%0.84384%0.839SS**  trans111.4110.415800000113.3
422G33.6Very low36.8Very low69 Ų69148.8 Ų148.871%0.71184%0.835SS**  cis8986.118.800000111.5
423R37.5Very low36.4Very low236 Ų236141.2 Ų141.289%0.89182%0.821SS**  trans-159.8109159.1-100.6179.4-155.9-159.64.6108.4
424F34.6Very low36.5Very low187 Ų187146.5 Ų146.582%0.8282%0.823SS**  69.9107.681.2-79.1-71.3000114
425M39.2Very low36.5Very low187 Ų187155.6 Ų155.692%0.92184%0.838SS**  trans-139.995.2146.8-76.4-65.8-160.800103.9
426R38.3Very low36.4Very low233 Ų233160.3 Ų160.388%0.87985%0.848SS**  36.19777.8-100.7-162.4-173.1-152.42.8114.1
427G32.9Very low36.1Very low77 Ų77156.4 Ų156.479%0.79485%0.845SS**  trans-129.190.4145.400000105.4
428E33.3Very low35.7Very low165 Ų165151.3 Ų151.377%0.77184%0.839SS**  73.894.578.7-150.2165.4-140.800111.8T430E428-T430 HydrophobicContact CG-CG2 4.34Å; E428-T430 PolarHBondContact O-N 3.47Å
429L30.5Very low35.5Very low181 Ų181155.4 Ų155.495%0.94884%0.839SS**  trans-55.8117.3159-75.8151.2000108
430T37Very low35.3Very low107 Ų107160.4 Ų160.466%0.65684%0.843SS**  trans-126.1113.6164.1450000108.8E428E428-T430 HydrophobicContact CG-CG2 4.34Å; E428-T430 PolarHBondContact O-N 3.47Å
431A31.5Very low35.2Very low107 Ų107154.1 Ų154.188%0.88484%0.835SS**  trans-71125155.300000107.1
432S37.4Very low35.1Very low101 Ų101157.8 Ų157.871%0.70684%0.835SS**  trans-153.4109.2165.244.90000109.3
433S31.1Very low35.2Very low96 Ų96164.6 Ų164.667%0.67184%0.844SS**  trans-44.4142.4155.1480000112.5
434F38.3Very low35Very low187 Ų187158.7 Ų158.782%0.8284%0.84SS**  179.3125.2127.7-94.4-70.2000110.1
435F36.3Very low35.1Very low276 Ų276156.1 Ų156.1100%1.21184%0.842SS**  trans80.40179.2-62.7-74.5000119.1

Retrieved 435 of 435 residues in 263.5 ms (Link to these results)

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