A0A087YLR1_POEFO Loading...

Metal transporter

Metal transporter.

AlphaFold DB , UniProt , Accession A0A087YLR1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 764 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
1V76.1Confident83Confident51 Ų5175.2 Ų75.231%0.30935%0.354SS..  0132.90172.50000106.9F33 Y34 L38 I46 L116 T118 L129V1-F33 HydrophobicContact CG1-CB 4.09Å; V1-F33 HydrophobicContact CG1-CD1 3.71Å; V1-F33 HydrophobicContact CG1-CG 4.33Å; V1-Y34 CarbonylContact C-O 3.43Å; V1-L38 HydrophobicContact CG2-CD2 4.41Å; V1-I46 HydrophobicContact CG2-CD1 4.18Å; V1-I46 HydrophobicContact CG2-CG1 4.27Å; V1-L116 HydrophobicContact CG1-CD2 4.48Å; V1-T118 HydrophobicContact CB-CG2 3.89Å; V1-T118 HydrophobicContact CG1-CG2 4.48Å; V1-T118 HydrophobicContact CG2-CG2 4.4Å; V1-L129 HydrophobicContact CG1-CD2 4.19Å; V1-L129 WeakPolarHBondContact O-CD1 3.22Å
2L76.1Confident82.4Confident124 Ų12477.8 Ų77.865%0.64938%0.382SS*.  trans-101.2-24.5-173.2-68.2171.8000113.4Y34 V36L2-Y34 PolarHBondContact N-O 3.47Å; L2-V36 HydrophobicContact CD1-CG2 4.3Å
3G79.6Confident82.3Confident11 Ų1174.9 Ų74.911%0.11338%0.375CS..EExtended strand (participates in β ladder)trans-177.1166.4179.400000111.4F33 Y34G3-F33 WeakPolarHBondContact O-CA 3.43Å; G3-Y34 PolarHBondContact O-N 3.3Å
4M85.8Confident82.1Confident22 Ų2273.4 Ų73.411%0.10838%0.375CS..EExtended strand (participates in β ladder)trans-128.2151.1176.571.3-178.6-177.100111.8I21 L31 R32 F33 L116 G134 R135 F136M4-I21 HydrophobicContact CE-CD1 4.09Å; M4-I21 HydrophobicContact CG-CD1 4.01Å; M4-I21 HydrophobicContact SD-CD1 4.39Å; M4-L31 HydrophobicContact SD-CD1 4.36Å; M4-R32 CarbonylContact C-O 3.53Å; M4-R32 WeakPolarHBondContact CA-O 3.34Å; M4-F33 HydrophobicContact CB-CD1 3.62Å; M4-F33 HydrophobicContact CB-CE1 3.54Å; M4-F33 HydrophobicContact CB-CZ 4.35Å; M4-F33 HydrophobicContact CG-CE1 4.43Å; M4-F33 HydrophobicContact SD-CE1 4.13Å; M4-L116 HydrophobicContact SD-CB 4.4Å; M4-L116 HydrophobicContact SD-CD1 4.33Å; M4-L116 HydrophobicContact SD-CD2 4.23Å; M4-G134 WeakPolarHBondContact CE-O 3.41Å; M4-R135 WeakPolarHBondContact CE-O 3.22Å; M4-F136 HydrophobicContact CE-CB 4.22Å
5R85.6Confident81.9Confident162 Ų16273.3 Ų73.361%0.61138%0.379SS*.EExtended strand (participates in β ladder)trans-138.6142.9174.5-177.4177.4176.1171.42.9110E7 R32 Y34R5-E7 PolarHBondContact O-N 3.1Å; R5-R32 PolarHBondContact N-O 3.28Å; R5-R32 PolarHBondContact O-N 2.69Å; R5-Y34 HydrophobicContact CB-CE2 3.95Å
6L86.4Confident81.6Confident29 Ų2973.5 Ų73.515%0.15238%0.381CS..EExtended strand (participates in β ladder)trans-67.7121.4170.6179.766000110.3S13 I21 V29 L31L6-S13 VanDerWaalsContact CD2-OG 3.29Å; L6-S13 WeakPolarHBondContact CD2-OG 3.1Å; L6-I21 HydrophobicContact CB-CD1 4.16Å; L6-I21 HydrophobicContact CB-CG1 4.38Å; L6-I21 HydrophobicContact CB-CG2 3.91Å; L6-I21 HydrophobicContact CD1-CG2 4.16Å; L6-I21 HydrophobicContact CD2-CG2 4.22Å; L6-I21 HydrophobicContact CG-CG2 4.32Å; L6-V29 HydrophobicContact CD1-CG1 3.21Å; L6-L31 HydrophobicContact CD1-CD2 4.15Å
7E85.8Confident80.9Confident87 Ų8779.5 Ų79.541%0.40741%0.414SS..EExtended strand (participates in β ladder)trans-100.1-45.5176.7179.5161.8-172.500111.9R5 Q30 R32 V97R5-E7 PolarHBondContact O-N 3.1Å; E7-Q30 HydrophobicContact CB-CB 4.45Å; E7-Q30 WeakPolarHBondContact CB-O 3.48Å; E7-Q30 PolarHBondContact N-O 2.83Å; E7-R32 HydrophobicContact CB-CB 4.31Å; E7-R32 VanDerWaalsContact CD-NH2 3.26Å; E7-R32 IonicContact OE1-CZ 3.43Å; E7-R32 IonicContact OE1-NE 3.88Å; E7-R32 IonicContact OE1-NH2 2.85Å; E7-R32 PolarHBondContact OE1-NH2 2.88Å; E7-R32 IonicContact OE2-CZ 2.79Å; E7-R32 VanDerWaalsContact OE2-CZ 3.32Å; E7-R32 IonicContact OE2-NE 2.7Å; E7-R32 PolarHBondContact OE2-NE 3.28Å; E7-R32 IonicContact OE2-NH2 2.71Å; E7-R32 PolarHBondContact OE2-NH2 2.97Å; E7-R32 VanDerWaalsContact OE2-NH2 3.08Å; E7-V97 VanDerWaalsContact OE2-CG1 3.3Å; E7-V97 WeakPolarHBondContact OE2-CG1 3.01Å; E7-V97 WeakPolarHBondContact OE2-CG2 3.13Å
8R84.8Confident80.1Confident177 Ų17782.2 Ų82.267%0.66843%0.429SS*.EExtended strand (participates in β ladder)trans-155.7147.3179.2-164.6172.7-179.4174.30.5110.4V29 Q30R8-V29 CarbonylContact O-C 3.51Å; R8-Q30 HydrophobicContact CB-CB 4.14Å; R8-Q30 PolarHBondContact N-O 2.8Å; R8-Q30 PolarHBondContact O-N 3.1Å
9S85.4Confident79.5Confident26 Ų2679.6 Ų79.618%0.18242%0.424CS..EExtended strand (participates in β ladder)trans-134.3150.6169.8-1780000108.6K11 S13S9-K11 VanDerWaalsContact CB-O 3.26Å; S9-K11 WeakPolarHBondContact CB-O 3.33Å; S9-K11 PolarHBondContact OG-N 3.21Å; S9-K11 PolarHBondContact OG-O 3.48Å; S9-S13 WeakPolarHBondContact CB-OG 3.06Å
10D84.6Confident79.5Confident95 Ų9576.5 Ų76.551%0.50841%0.408SS..SBendtrans-78.5-33172.555-5000112.5S27 T28D10-S27 VanDerWaalsContact OD1-CA 3.29Å; D10-S27 WeakPolarHBondContact OD1-CA 3.38Å; D10-S27 WeakPolarHBondContact OD1-CB 3.37Å; D10-T28 PolarHBondContact N-O 2.83Å; D10-T28 PolarHBondContact OD1-N 3.4Å; D10-T28 WeakPolarHBondContact OD2-CB 3.44Å; D10-T28 PolarHBondContact OD2-N 2.9Å; D10-T28 PolarHBondContact OD2-OG1 2.86Å
11K82.5Confident79.8Confident43 Ų4372.9 Ų72.919%0.18739%0.389CS..SBendtrans-107.8161.8176-65.1-166.5-179.4-172.20111.6S9 S13 T24 E25 E26 E141S9-K11 VanDerWaalsContact CB-O 3.26Å; S9-K11 WeakPolarHBondContact CB-O 3.33Å; S9-K11 PolarHBondContact OG-N 3.21Å; S9-K11 PolarHBondContact OG-O 3.48Å; K11-S13 PolarHBondContact O-N 3.47Å; K11-T24 WeakPolarHBondContact CB-OG1 3.24Å; K11-E25 WeakPolarHBondContact CD-O 3.48Å; K11-E25 WeakPolarHBondContact CE-O 3.27Å; K11-E25 PolarHBondContact NZ-O 2.93Å; K11-E26 WeakPolarHBondContact CE-O 3.47Å; K11-E141 IonicContact NZ-OE2 2.83Å; K11-E141 PolarHBondContact NZ-OE2 3.06Å
12P76.8Confident80.2Confident107 Ų10772.9 Ų72.970%0.69539%0.385SS*.  trans-54.1129.9179.220.9-33.8000111.4T24P12-T24 HydrophobicContact CG-CG2 4.19Å; P12-T24 PolarHBondContact O-OG1 3.36Å; P12-T24 VanDerWaalsContact O-OG1 3.08Å
13S80.1Confident80.6Confident40 Ų4067 Ų6728%0.2836%0.355SS..EExtended strand (participates in β ladder)trans-147.2139.1-176.559.10000109L6 S9 K11 Q22L6-S13 VanDerWaalsContact CD2-OG 3.29Å; L6-S13 WeakPolarHBondContact CD2-OG 3.1Å; S9-S13 WeakPolarHBondContact CB-OG 3.06Å; K11-S13 PolarHBondContact O-N 3.47Å; S13-Q22 CarbonylContact C-O 3.57Å; S13-Q22 WeakPolarHBondContact CA-O 3.37Å; S13-Q22 VanDerWaalsContact CB-O 3.29Å; S13-Q22 WeakPolarHBondContact CB-O 3.32Å
14S80.4Confident80.9Confident54 Ų5467.5 Ų67.538%0.37836%0.356SS..EExtended strand (participates in β ladder)trans-132.4163.2-179.643.60000110.5Q22S14-Q22 PolarHBondContact N-O 2.83Å; S14-Q22 WeakPolarHBondContact O-CA 3.25Å; S14-Q22 WeakPolarHBondContact O-CB 3.13Å; S14-Q22 PolarHBondContact O-N 3.07Å; S14-Q22 PolarHBondContact OG-OE1 3.1Å; S14-Q22 VanDerWaalsContact OG-OE1 3.09Å
15T79.4Confident80.8Confident72 Ų7266.9 Ų66.944%0.44235%0.352SS..EExtended strand (participates in β ladder)trans-114.5126.2167.6-54.90000107.2V20T15-V20 WeakPolarHBondContact CA-O 3.33Å
16N77.1Confident80.7Confident76 Ų7663.9 Ų63.941%0.40635%0.345SS..  trans-72.2163.9176.8-82.8-10000111.5D18 G19 V20N16-D18 PolarHBondContact O-N 3.24Å; N16-D18 VanDerWaalsContact O-N 3.15Å; N16-G19 PolarHBondContact O-N 3.5Å; N16-V20 PolarHBondContact N-O 3.15Å
17D68.7Low80.7Confident176 Ų17662.5 Ų62.594%0.94134%0.338SS*.THydrogen-bonded Turntrans-58.8-25.6178.1-66-31.7000112.9G19D17-G19 PolarHBondContact O-N 3.19Å
18D66.4Low80.8Confident128 Ų12861 Ų6168%0.68434%0.335SS*.THydrogen-bonded Turntrans-78.62.7174.2-61-43000113.9N16 V20N16-D18 PolarHBondContact O-N 3.24Å; N16-D18 VanDerWaalsContact O-N 3.15Å; D18-V20 HydrophobicContact CB-CG2 4.36Å; D18-V20 PolarHBondContact O-N 2.96Å
19G69.1Low81Confident33 Ų3352.6 Ų52.634%0.3430%0.304SS..SBendtrans840.5179.300000115.6N16 D17N16-G19 PolarHBondContact O-N 3.5Å; D17-G19 PolarHBondContact O-N 3.19Å
20V80.4Confident81.2Confident16 Ų1655.2 Ų55.210%0.09731%0.313CS..PPolyproline II helixtrans-74.1129.4-179.9-174.10000111.2T15 N16 D18 R135 L137T15-V20 WeakPolarHBondContact CA-O 3.33Å; N16-V20 PolarHBondContact N-O 3.15Å; D18-V20 HydrophobicContact CB-CG2 4.36Å; D18-V20 PolarHBondContact O-N 2.96Å; V20-R135 HydrophobicContact CB-CB 4.31Å; V20-R135 HydrophobicContact CG1-CB 3.83Å; V20-R135 HydrophobicContact CG2-CB 3.93Å; V20-L137 HydrophobicContact CG1-CB 3.99Å
21I84.2Confident81.4Confident2 Ų250.7 Ų50.71%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-84.8117.4177.6-58.5174.5000109.3M4 L6 V23 L31 R135 F136 L137M4-I21 HydrophobicContact CE-CD1 4.09Å; M4-I21 HydrophobicContact CG-CD1 4.01Å; M4-I21 HydrophobicContact SD-CD1 4.39Å; L6-I21 HydrophobicContact CB-CD1 4.16Å; L6-I21 HydrophobicContact CB-CG1 4.38Å; L6-I21 HydrophobicContact CB-CG2 3.91Å; L6-I21 HydrophobicContact CD1-CG2 4.16Å; L6-I21 HydrophobicContact CD2-CG2 4.22Å; L6-I21 HydrophobicContact CG-CG2 4.32Å; I21-V23 HydrophobicContact CG2-CG2 3.83Å; I21-L31 HydrophobicContact CD1-CD2 3.86Å; I21-L31 HydrophobicContact CG2-CD2 4.5Å; I21-R135 PolarHBondContact N-O 2.86Å; I21-F136 HydrophobicContact CB-CD2 4.17Å; I21-F136 HydrophobicContact CG2-CD2 4.15Å; I21-F136 HydrophobicContact CG2-CE2 4.13Å; I21-F136 CarbonylContact O-C 3.52Å; I21-F136 WeakPolarHBondContact O-CA 3.34Å; I21-L137 PolarHBondContact O-N 3.4Å
22Q84.6Confident81.6Confident50 Ų5051.9 Ų51.923%0.23429%0.292CS..EExtended strand (participates in β ladder)trans-100.8127.2178-171.217825.500110.6S13 S14 L137 V139S13-Q22 CarbonylContact C-O 3.57Å; S13-Q22 WeakPolarHBondContact CA-O 3.37Å; S13-Q22 VanDerWaalsContact CB-O 3.29Å; S13-Q22 WeakPolarHBondContact CB-O 3.32Å; S14-Q22 PolarHBondContact N-O 2.83Å; S14-Q22 WeakPolarHBondContact O-CA 3.25Å; S14-Q22 WeakPolarHBondContact O-CB 3.13Å; S14-Q22 PolarHBondContact O-N 3.07Å; S14-Q22 PolarHBondContact OG-OE1 3.1Å; S14-Q22 VanDerWaalsContact OG-OE1 3.09Å; Q22-L137 CarbonylContact C-O 3.59Å; Q22-L137 WeakPolarHBondContact CA-O 3.49Å; Q22-L137 HydrophobicContact CG-CD2 4.13Å; Q22-L137 HydrophobicContact CG-CG 4.5Å; Q22-V139 HydrophobicContact CG-CG2 3.71Å
23V85.6Confident82.1Confident1 Ų146.8 Ų46.81%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-136.6148.5-177.5-165.50000109.6I21 S27 V29 F136 L137 V138 V139I21-V23 HydrophobicContact CG2-CG2 3.83Å; V23-S27 WeakPolarHBondContact CG1-OG 3.05Å; V23-V29 HydrophobicContact CB-CG2 4.25Å; V23-V29 HydrophobicContact CG1-CG2 3.29Å; V23-V29 HydrophobicContact CG2-CG2 4.04Å; V23-F136 HydrophobicContact CB-CZ 4.03Å; V23-F136 HydrophobicContact CG2-CD2 4.44Å; V23-F136 HydrophobicContact CG2-CE1 4.39Å; V23-F136 HydrophobicContact CG2-CE2 3.54Å; V23-F136 HydrophobicContact CG2-CZ 3.51Å; V23-L137 PolarHBondContact N-O 2.94Å; V23-V138 CarbonylContact O-C 3.6Å; V23-V138 VanDerWaalsContact O-CA 3.22Å; V23-V138 WeakPolarHBondContact O-CA 3.44Å; V23-V139 PolarHBondContact O-N 2.88Å
24T84.3Confident82.4Confident22 Ų2249.3 Ų49.314%0.13526%0.263CS..EExtended strand (participates in β ladder)trans-79.2153.8173.937.60000112.3K11 P12 S27 V139K11-T24 WeakPolarHBondContact CB-OG1 3.24Å; P12-T24 HydrophobicContact CG-CG2 4.19Å; P12-T24 PolarHBondContact O-OG1 3.36Å; P12-T24 VanDerWaalsContact O-OG1 3.08Å; T24-S27 WeakPolarHBondContact O-CB 3.25Å; T24-S27 PolarHBondContact O-OG 2.89Å; T24-V139 CarbonylContact C-O 3.58Å; T24-V139 WeakPolarHBondContact CA-O 3.41Å
25E84.2Confident82.5Confident8 Ų847.1 Ų47.14%0.03725%0.249CC..THydrogen-bonded Turntrans-62157.9176.967.8169-175.100112.9K11 S27 L105 V138 V139 E141K11-E25 WeakPolarHBondContact CD-O 3.48Å; K11-E25 WeakPolarHBondContact CE-O 3.27Å; K11-E25 PolarHBondContact NZ-O 2.93Å; E25-S27 PolarHBondContact O-N 2.85Å; E25-L105 HydrophobicContact CB-CD1 4.22Å; E25-L105 PolarHBondContact OE2-N 3.2Å; E25-V138 HydrophobicContact CB-CG1 4.24Å; E25-V139 PolarHBondContact N-O 2.9Å; E25-E141 HydrophobicContact CG-CB 4.31Å
26E83.6Confident82.5Confident99 Ų9949.4 Ų49.446%0.46326%0.262SS..THydrogen-bonded Turntrans55.529.4-177.8-56.5-171.9154.800114.5K11 V102 P104K11-E26 WeakPolarHBondContact CE-O 3.47Å; E26-V102 VanDerWaalsContact CA-O 3.31Å; E26-V102 WeakPolarHBondContact CA-O 3.4Å; E26-P104 HydrophobicContact CG-CB 3.93Å; E26-P104 HydrophobicContact CG-CG 4.42Å
27S86.2Confident82.6Confident0 Ų053.9 Ų53.90%028%0.281CS..  trans-100.1151.7179.958.60000112.5D10 V23 T24 E25 V102D10-S27 VanDerWaalsContact OD1-CA 3.29Å; D10-S27 WeakPolarHBondContact OD1-CA 3.38Å; D10-S27 WeakPolarHBondContact OD1-CB 3.37Å; V23-S27 WeakPolarHBondContact CG1-OG 3.05Å; T24-S27 WeakPolarHBondContact O-CB 3.25Å; T24-S27 PolarHBondContact O-OG 2.89Å; E25-S27 PolarHBondContact O-N 2.85Å; S27-V102 PolarHBondContact O-N 2.8Å
28T87.8Confident83.2Confident57 Ų5746.4 Ų46.435%0.3524%0.241SC..EExtended strand (participates in β ladder)trans-109.1110.3170.3-510000109D10D10-T28 PolarHBondContact N-O 2.83Å; D10-T28 PolarHBondContact OD1-N 3.4Å; D10-T28 WeakPolarHBondContact OD2-CB 3.44Å; D10-T28 PolarHBondContact OD2-N 2.9Å; D10-T28 PolarHBondContact OD2-OG1 2.86Å
29V89.9Confident83.9Confident0 Ų044.8 Ų44.80%023%0.229CC..EExtended strand (participates in β ladder)trans-107.9140.8-173.5-170.20000110.2L6 R8 V23 L31 S99 V100 F136L6-V29 HydrophobicContact CD1-CG1 3.21Å; R8-V29 CarbonylContact O-C 3.51Å; V23-V29 HydrophobicContact CB-CG2 4.25Å; V23-V29 HydrophobicContact CG1-CG2 3.29Å; V23-V29 HydrophobicContact CG2-CG2 4.04Å; V29-L31 HydrophobicContact CG1-CD2 3.72Å; V29-L31 HydrophobicContact CG1-CG 4.07Å; V29-S99 CarbonylContact O-C 3.59Å; V29-S99 WeakPolarHBondContact O-CA 3.47Å; V29-V100 PolarHBondContact N-O 3.12Å; V29-V100 PolarHBondContact O-N 2.97Å; V29-F136 HydrophobicContact CG2-CZ 4.38Å
30Q89.4Confident84.4Confident80 Ų8047.4 Ų47.437%0.37424%0.242SC..EExtended strand (participates in β ladder)trans-101.8114.7167.1-64.6-176.6-13.400108.5E7 R8 V97E7-Q30 HydrophobicContact CB-CB 4.45Å; E7-Q30 WeakPolarHBondContact CB-O 3.48Å; E7-Q30 PolarHBondContact N-O 2.83Å; R8-Q30 HydrophobicContact CB-CB 4.14Å; R8-Q30 PolarHBondContact N-O 2.8Å; R8-Q30 PolarHBondContact O-N 3.1Å; Q30-V97 HydrophobicContact CB-CG1 4.14Å
31L87.6Confident84.3Confident0 Ų047.7 Ų47.70%025%0.248CC..EExtended strand (participates in β ladder)trans-104.9129.5176.7-63.5-179.4000109.4M4 L6 I21 V29 F33 F48 V97 L98 V100 F136M4-L31 HydrophobicContact SD-CD1 4.36Å; L6-L31 HydrophobicContact CD1-CD2 4.15Å; I21-L31 HydrophobicContact CD1-CD2 3.86Å; I21-L31 HydrophobicContact CG2-CD2 4.5Å; V29-L31 HydrophobicContact CG1-CD2 3.72Å; V29-L31 HydrophobicContact CG1-CG 4.07Å; L31-F33 HydrophobicContact CB-CD2 4.41Å; L31-F33 HydrophobicContact CB-CE2 3.68Å; L31-F33 HydrophobicContact CB-CZ 3.98Å; L31-F33 HydrophobicContact CD1-CZ 4.14Å; L31-F48 HydrophobicContact CD1-CZ 3.97Å; L31-V97 WeakPolarHBondContact O-CA 3.16Å; L31-L98 PolarHBondContact N-O 3.26Å; L31-L98 PolarHBondContact O-N 3.05Å; L31-V100 HydrophobicContact CD1-CG2 4Å; L31-V100 HydrophobicContact CG-CG2 4.42Å; L31-F136 HydrophobicContact CD1-CD2 4.24Å; L31-F136 HydrophobicContact CD1-CE2 4.05Å; L31-F136 HydrophobicContact CD2-CE2 4.3Å
32R88.3Confident84.2Confident69 Ų6947.7 Ų47.726%0.2625%0.249SC..EExtended strand (participates in β ladder)trans-93.6120.1172.2-177.6169.2-71.2-106.55.2109.3M4 R5 E7 Y34M4-R32 CarbonylContact C-O 3.53Å; M4-R32 WeakPolarHBondContact CA-O 3.34Å; R5-R32 PolarHBondContact N-O 3.28Å; R5-R32 PolarHBondContact O-N 2.69Å; E7-R32 HydrophobicContact CB-CB 4.31Å; E7-R32 VanDerWaalsContact CD-NH2 3.26Å; E7-R32 IonicContact OE1-CZ 3.43Å; E7-R32 IonicContact OE1-NE 3.88Å; E7-R32 IonicContact OE1-NH2 2.85Å; E7-R32 PolarHBondContact OE1-NH2 2.88Å; E7-R32 IonicContact OE2-CZ 2.79Å; E7-R32 VanDerWaalsContact OE2-CZ 3.32Å; E7-R32 IonicContact OE2-NE 2.7Å; E7-R32 PolarHBondContact OE2-NE 3.28Å; E7-R32 IonicContact OE2-NH2 2.71Å; E7-R32 PolarHBondContact OE2-NH2 2.97Å; E7-R32 VanDerWaalsContact OE2-NH2 3.08Å; R32-Y34 WeakPolarHBondContact CD-OH 3.17Å; R32-Y34 HydrophobicContact CG-CE1 4.31Å; R32-Y34 HydrophobicContact CG-CE2 4.23Å
33F87Confident84Confident0 Ų048.3 Ų48.30%025%0.249CC..EExtended strand (participates in β ladder)trans-101139.1175.8-65.8-83.7000110.1V1 G3 M4 L31 I46 M87 S95 G96 L98 L116V1-F33 HydrophobicContact CG1-CB 4.09Å; V1-F33 HydrophobicContact CG1-CD1 3.71Å; V1-F33 HydrophobicContact CG1-CG 4.33Å; G3-F33 WeakPolarHBondContact O-CA 3.43Å; M4-F33 HydrophobicContact CB-CD1 3.62Å; M4-F33 HydrophobicContact CB-CE1 3.54Å; M4-F33 HydrophobicContact CB-CZ 4.35Å; M4-F33 HydrophobicContact CG-CE1 4.43Å; M4-F33 HydrophobicContact SD-CE1 4.13Å; L31-F33 HydrophobicContact CB-CD2 4.41Å; L31-F33 HydrophobicContact CB-CE2 3.68Å; L31-F33 HydrophobicContact CB-CZ 3.98Å; L31-F33 HydrophobicContact CD1-CZ 4.14Å; F33-I46 HydrophobicContact CD1-CD1 4.25Å; F33-I46 HydrophobicContact CD2-CD1 4.08Å; F33-I46 HydrophobicContact CE1-CD1 4.4Å; F33-I46 HydrophobicContact CE1-CG2 4.32Å; F33-I46 HydrophobicContact CE2-CD1 4.24Å; F33-I46 HydrophobicContact CG-CD1 4.07Å; F33-I46 HydrophobicContact CZ-CD1 4.38Å; F33-I46 HydrophobicContact CZ-CG2 4.09Å; F33-M87 HydrophobicContact CB-CE 3.61Å; F33-M87 HydrophobicContact CD2-CE 3.96Å; F33-M87 HydrophobicContact CG-CE 4.14Å; F33-S95 CarbonylContact O-C 3.6Å; F33-S95 VanDerWaalsContact O-CA 3.24Å; F33-S95 WeakPolarHBondContact O-CA 3.44Å; F33-G96 PolarHBondContact N-O 3.28Å; F33-G96 PolarHBondContact O-N 2.75Å; F33-L98 HydrophobicContact CD2-CB 3.96Å; F33-L98 HydrophobicContact CD2-CD2 4.25Å; F33-L98 HydrophobicContact CE2-CB 3.77Å; F33-L98 HydrophobicContact CE2-CD2 3.66Å; F33-L98 HydrophobicContact CE2-CG 4.28Å; F33-L98 HydrophobicContact CZ-CD2 4.38Å; F33-L116 HydrophobicContact CD1-CD2 4.13Å; F33-L116 HydrophobicContact CE1-CD1 3.74Å; F33-L116 HydrophobicContact CE1-CD2 3.57Å; F33-L116 HydrophobicContact CE1-CG 4.32Å; F33-L116 HydrophobicContact CZ-CD1 4.07Å
34Y85.4Confident83.8Confident93 Ų9351.5 Ų51.537%0.36527%0.268SS..EExtended strand (participates in β ladder)trans-107.1143.9175-60.7-81.2000109.8V1 L2 G3 R5 R32V1-Y34 CarbonylContact C-O 3.43Å; L2-Y34 PolarHBondContact N-O 3.47Å; G3-Y34 PolarHBondContact O-N 3.3Å; R5-Y34 HydrophobicContact CB-CE2 3.95Å; R32-Y34 WeakPolarHBondContact CD-OH 3.17Å; R32-Y34 HydrophobicContact CG-CE1 4.31Å; R32-Y34 HydrophobicContact CG-CE2 4.23Å
35G82.9Confident83.7Confident8 Ų854.1 Ų54.18%0.08228%0.279CS..  trans-179.4-179.3-177.500000112.5T94G35-T94 PolarHBondContact N-O 2.79Å; G35-T94 VanDerWaalsContact N-O 3.08Å; G35-T94 CarbonylContact O-C 3.55Å; G35-T94 VanDerWaalsContact O-CA 3.25Å; G35-T94 WeakPolarHBondContact O-CA 3.44Å
36V80.3Confident83.8Confident119 Ų11953.8 Ų53.872%0.72128%0.277SS*.SBendtrans-106.8133.7176.4-175.10000107.8L2 L38L2-V36 HydrophobicContact CD1-CG2 4.3Å; V36-L38 PolarHBondContact O-N 2.83Å
37Q79.3Confident83.9Confident171 Ų17153.3 Ų53.380%0.79927%0.272SS*.SBendtrans57.243.5178.7-64.5175.2-4.700115.2G93Q37-G93 PolarHBondContact N-O 2.72Å
38L80.8Confident83.9Confident18 Ų1853.6 Ų53.69%0.09427%0.273CS..  trans-64.7137.2169.4-75.7147.4000110.2V1 V36 A42 M87 V89 G93V1-L38 HydrophobicContact CG2-CD2 4.41Å; V36-L38 PolarHBondContact O-N 2.83Å; L38-A42 HydrophobicContact CD2-CB 3.97Å; L38-M87 HydrophobicContact CD2-CE 3.65Å; L38-M87 HydrophobicContact CD2-SD 3.89Å; L38-V89 HydrophobicContact CB-CG1 3.72Å; L38-V89 HydrophobicContact CB-CG2 4.33Å; L38-V89 WeakPolarHBondContact O-CG1 3.49Å; L38-G93 WeakPolarHBondContact CB-O 3.45Å; L38-G93 PolarHBondContact N-O 3.03Å
39H81.9Confident83.7Confident95 Ų9551.7 Ų51.744%0.4426%0.261SS..  trans-128.7163.6175.260.4-75.6000109.3G41 A42H39-G41 PolarHBondContact CD2-N 2.87Å; H39-G41 PolarHBondContact O-N 2.93Å; H39-A42 WeakPolarHBondContact O-CB 2.96Å; H39-A42 PolarHBondContact O-N 3.08Å
40S78.7Confident83.4Confident88 Ų8854.9 Ų54.962%0.61528%0.276SS*.THydrogen-bonded Turntrans-59.8-20.3-174.455.10000114.4W43 M87S40-W43 VanDerWaalsContact O-CD1 3.24Å; S40-M87 PolarHBondContact O-N 2.67Å
41G79.4Confident82.7Confident22 Ų2254 Ų5423%0.22727%0.274CS..THydrogen-bonded Turntrans-89-3.4175.500000115.7H39 W43 T44H39-G41 PolarHBondContact CD2-N 2.87Å; H39-G41 PolarHBondContact O-N 2.93Å; G41-W43 PolarHBondContact O-N 2.89Å; G41-T44 PolarHBondContact O-N 3.37Å; G41-T44 VanDerWaalsContact O-N 3.15Å; G41-T44 PolarHBondContact O-OG1 2.98Å
42A81.9Confident81.4Confident2 Ų258.1 Ų58.12%0.01731%0.308CS..G310 helixtrans-64.9-13.6-176.400000113.8L38 H39 T44 Q45 M87L38-A42 HydrophobicContact CD2-CB 3.97Å; H39-A42 WeakPolarHBondContact O-CB 2.96Å; H39-A42 PolarHBondContact O-N 3.08Å; A42-T44 PolarHBondContact O-N 3.07Å; A42-Q45 WeakPolarHBondContact O-CB 3.41Å; A42-Q45 PolarHBondContact O-N 3.22Å; A42-M87 HydrophobicContact CB-SD 3.97Å
43W79.9Confident79.6Confident62 Ų6263.4 Ų63.424%0.23534%0.341CS..G310 helixtrans-59.5-27.4172.468-90.6000113S40 G41 Q45 I46 S85 M87 L98S40-W43 VanDerWaalsContact O-CD1 3.24Å; G41-W43 PolarHBondContact O-N 2.89Å; W43-Q45 PolarHBondContact O-N 3.03Å; W43-I46 PolarHBondContact O-N 3.42Å; W43-S85 WeakPolarHBondContact CZ2-O 3.37Å; W43-S85 PolarHBondContact NE1-O 3.13Å; W43-S85 VanDerWaalsContact NE1-O 3.09Å; W43-M87 HydrophobicContact CB-CB 4.3Å; W43-L98 HydrophobicContact CB-CD1 3.69Å; W43-L98 HydrophobicContact CB-CD2 4.47Å
44T82.1Confident77.6Confident69 Ų6967.2 Ų67.242%0.42338%0.38SS..G310 helixtrans-68.1-18.9176.257.50000113G41 A42G41-T44 PolarHBondContact O-N 3.37Å; G41-T44 VanDerWaalsContact O-N 3.15Å; G41-T44 PolarHBondContact O-OG1 2.98Å; A42-T44 PolarHBondContact O-N 3.07Å
45Q82.2Confident75.2Confident77 Ų7766.2 Ų66.236%0.3640%0.398SS..G310 helixtrans-9810.6-178-57.8176-16.600112.6A42 W43 T118 L119 W126A42-Q45 WeakPolarHBondContact O-CB 3.41Å; A42-Q45 PolarHBondContact O-N 3.22Å; W43-Q45 PolarHBondContact O-N 3.03Å; Q45-T118 WeakPolarHBondContact O-CA 3.04Å; Q45-L119 HydrophobicContact CB-CB 4.32Å; Q45-W126 VanDerWaalsContact O-CZ3 3.28Å; Q45-W126 WeakPolarHBondContact O-CZ3 3.31Å
46I85.1Confident73Confident0 Ų069.6 Ų69.60%043%0.426CS..EExtended strand (participates in β ladder)trans-123.6121.5-178.9-61.1171.9000109.2V1 F33 W43 M87 L98 L116V1-I46 HydrophobicContact CG2-CD1 4.18Å; V1-I46 HydrophobicContact CG2-CG1 4.27Å; F33-I46 HydrophobicContact CD1-CD1 4.25Å; F33-I46 HydrophobicContact CD2-CD1 4.08Å; F33-I46 HydrophobicContact CE1-CD1 4.4Å; F33-I46 HydrophobicContact CE1-CG2 4.32Å; F33-I46 HydrophobicContact CE2-CD1 4.24Å; F33-I46 HydrophobicContact CG-CD1 4.07Å; F33-I46 HydrophobicContact CZ-CD1 4.38Å; F33-I46 HydrophobicContact CZ-CG2 4.09Å; W43-I46 PolarHBondContact O-N 3.42Å; I46-M87 HydrophobicContact CD1-CE 4.37Å; I46-L98 HydrophobicContact CB-CD2 4.42Å; I46-L98 HydrophobicContact CD1-CD2 3.95Å; I46-L98 HydrophobicContact CG2-CD2 4.33Å; I46-L116 HydrophobicContact CG2-CD1 3.53Å; I46-L116 HydrophobicContact CG2-CG 4.43Å
47R85.3Confident70.7Confident90 Ų9071 Ų7134%0.3443%0.434SS..EExtended strand (participates in β ladder)trans-138.4161.1174.5-67.4-65.5-176.1-146.21110.2F77 C117 W126R47-F77 HydrophobicContact CB-CD1 3.39Å; R47-F77 HydrophobicContact CB-CE1 3.61Å; R47-F77 HydrophobicContact CB-CG 4.17Å; R47-F77 HydrophobicContact CG-CD1 3.99Å; R47-F77 HydrophobicContact CG-CE1 4.08Å; R47-F77 HydrophobicContact CG-CG 4.39Å; R47-C117 PolarHBondContact N-O 3.33Å; R47-C117 VanDerWaalsContact N-O 3.09Å; R47-C117 PolarHBondContact O-N 3.44Å; R47-W126 HydrophobicContact CB-CH2 4.49Å; R47-W126 HydrophobicContact CB-CZ3 4.14Å; R47-W126 HydrophobicContact CG-CH2 3.82Å; R47-W126 HydrophobicContact CG-CZ2 4.47Å; R47-W126 HydrophobicContact CG-CZ3 3.97Å
48F85.9Confident68.4Low5 Ų567.7 Ų67.72%0.02244%0.436CS..EExtended strand (participates in β ladder)trans-111.6145.4174.8-67-92.1000109.5L31 F77 T78 I81 V83 V100 A115 L116 F136L31-F48 HydrophobicContact CD1-CZ 3.97Å; F48-F77 WeakPolarHBondContact O-CA 3.27Å; F48-T78 HydrophobicContact CB-CG2 3.84Å; F48-T78 PolarHBondContact O-N 2.97Å; F48-I81 HydrophobicContact CB-CB 4.37Å; F48-I81 HydrophobicContact CB-CD1 4.01Å; F48-I81 HydrophobicContact CD1-CD1 4.15Å; F48-I81 HydrophobicContact CD2-CB 4.31Å; F48-I81 HydrophobicContact CD2-CG2 3.62Å; F48-I81 HydrophobicContact CE2-CG2 3.99Å; F48-I81 HydrophobicContact CG-CB 4.45Å; F48-I81 HydrophobicContact CG-CD1 3.98Å; F48-I81 HydrophobicContact CG-CG2 4.13Å; F48-V83 HydrophobicContact CD2-CG2 3.98Å; F48-V83 HydrophobicContact CE2-CG2 3.98Å; F48-V100 HydrophobicContact CE2-CG1 4.26Å; F48-V100 HydrophobicContact CE2-CG2 4.23Å; F48-A115 CarbonylContact C-O 3.58Å; F48-A115 WeakPolarHBondContact CA-O 3.38Å; F48-L116 HydrophobicContact CD1-CD1 4.02Å; F48-L116 HydrophobicContact CD2-CD1 4.49Å; F48-L116 HydrophobicContact CE1-CB 4.4Å; F48-L116 HydrophobicContact CE1-CD1 3.46Å; F48-L116 VanDerWaalsContact CE1-CD1 3.46Å; F48-L116 HydrophobicContact CE2-CD1 3.98Å; F48-L116 HydrophobicContact CZ-CD1 3.44Å; F48-L116 VanDerWaalsContact CZ-CD1 3.44Å; F48-F136 HydrophobicContact CE1-CB 4.24Å; F48-F136 HydrophobicContact CE1-CG 4.39Å
49T84.9Confident66.2Low18 Ų1871.8 Ų71.811%0.1147%0.472CS..EExtended strand (participates in β ladder)trans-119.9153172-168.80000109.7D76 Y114 A115 C117 L128T49-D76 VanDerWaalsContact CB-O 3.26Å; T49-D76 WeakPolarHBondContact CB-O 3.4Å; T49-D76 PolarHBondContact OG1-O 3.47Å; T49-Y114 CarbonylContact O-C 3.5Å; T49-Y114 VanDerWaalsContact O-CA 3.31Å; T49-Y114 WeakPolarHBondContact O-CA 3.3Å; T49-A115 HydrophobicContact CG2-CB 4.08Å; T49-A115 PolarHBondContact N-O 3.02Å; T49-A115 PolarHBondContact O-N 3.17Å; T49-C117 WeakPolarHBondContact CG2-SG 3.28Å; T49-L128 HydrophobicContact CG2-CD1 4.33Å
50E82.4Confident64Low67 Ų6771.8 Ų71.831%0.31349%0.489SS..EExtended strand (participates in β ladder)trans-78.4127.6173.8-82.2164.3-127.800109.1A52 T78 K112 Y114E50-A52 PolarHBondContact O-N 3.44Å; E50-T78 WeakPolarHBondContact OE1-CB 3.47Å; E50-T78 PolarHBondContact OE1-OG1 3.28Å; E50-K112 WeakPolarHBondContact OE2-CE 3.26Å; E50-K112 IonicContact OE2-NZ 3.8Å; E50-K112 PolarHBondContact OE2-NZ 2.95Å; E50-Y114 HydrophobicContact CG-CD1 3.74Å; E50-Y114 HydrophobicContact CG-CE1 3.44Å; E50-Y114 VanDerWaalsContact CG-CE1 3.44Å
51L75.2Confident61.8Low62 Ų6279.3 Ų79.333%0.32550%0.504SS..  trans-85.1114.2171.3-159.771.5000107.5D53 E113L51-D53 PolarHBondContact O-N 3.22Å; L51-E113 HydrophobicContact CD2-CG 4.46Å; L51-E113 WeakPolarHBondContact CD2-OE2 3.24Å; L51-E113 PolarHBondContact N-O 3.21Å; L51-E113 VanDerWaalsContact N-O 3.14Å
52A60.3Low59.4Low86 Ų8682.2 Ų82.271%0.71153%0.533SS*.  trans-66.2125.8176.900000109.7E50 G54E50-A52 PolarHBondContact O-N 3.44Å; A52-G54 PolarHBondContact O-N 3.42Å
53D50.4Low56.9Low179 Ų17985.9 Ų85.996%0.95757%0.571SS**THydrogen-bonded Turntrans-70.476.4-179.7-146.98000109.4L51L51-D53 PolarHBondContact O-N 3.22Å
54G45.6Very low54.7Low80 Ų8089.1 Ų89.183%0.82560%0.604SS**THydrogen-bonded Turntrans172.418.4-171.900000117.8A52A52-G54 PolarHBondContact O-N 3.42Å
55G35.3Very low52.2Low73 Ų7389.2 Ų89.275%0.75362%0.618SS**SBendtrans-132.3-0.5-177.400000117.2
56A36.3Very low49.7Very low79 Ų7994.7 Ų94.765%0.65365%0.646SS**SBendtrans-126.828-170.500000114.8
57V33Very low47.4Very low149 Ų149103.1 Ų103.190%0.90369%0.688SS**SBendtrans-120.16.1173.6-168.70000112.9
58A30.4Very low44.9Very low100 Ų100106.2 Ų106.283%0.82671%0.711SS**SBendtrans-113.920.5-178.900000115.5
59A34.3Very low42.6Very low105 Ų105111.2 Ų111.287%0.86874%0.742SS**SBendtrans-119.914.3177.100000114.7
60A34.9Very low41Very low95 Ų95114.6 Ų114.679%0.78577%0.765SS**SBendtrans-117.28.6177.400000114.3
61R33.5Very low39.6Very low246 Ų246118.7 Ų118.793%0.92879%0.788SS**SBendtrans-14491.5174.6-73.8-171173.2159.2-1.4112.8
62G28.7Very low39.1Very low82 Ų82123.1 Ų123.185%0.84580%0.801SS**  trans107.5123.8145.700000116.8
63G29.4Very low39.5Very low79 Ų79122.2 Ų122.281%0.81479%0.786SS**  trans106.9110.4148.100000115.7G65G63-G65 PolarHBondContact O-N 2.77Å
64S34.3Very low40.5Very low131 Ų131114.3 Ų114.392%0.91675%0.745SS**  trans-52.6128.716858.30000112.7
65G28.5Very low41.5Very low71 Ų71115.9 Ų115.973%0.73274%0.739SS**  trans174.7116.5166.600000112G63G63-G65 PolarHBondContact O-N 2.77Å
66M30.3Very low43.5Very low191 Ų191118.6 Ų118.694%0.94174%0.736SS**  trans36.1117.6156.2-134.190.8161.400119.1D68M66-D68 PolarHBondContact O-N 3.5Å
67M36.7Very low45.6Very low177 Ų177118.6 Ų118.687%0.87272%0.721SS**  trans-65101.9176.4-177149.4140.600112.9
68D32.3Very low47.9Very low155 Ų155112.2 Ų112.283%0.82968%0.683SS**  trans-107.4117155.1-85.9-29.3000108.2M66M66-D68 PolarHBondContact O-N 3.5Å
69T37.7Very low50.3Low111 Ų111115.6 Ų115.668%0.68168%0.678SS**  trans-63.3126173.746.40000109.1D71T69-D71 PolarHBondContact O-N 3.08Å
70P51.9Low52.5Low89 Ų89112 Ų11258%0.57865%0.645SS**  trans-60.3136175.524.3-31.9000109.3R72P70-R72 WeakPolarHBondContact O-CG 3.47Å; P70-R72 PolarHBondContact O-N 3.16Å
71D52.7Low54.9Low152 Ų152108 Ų10881%0.81361%0.61SS**  trans-57.398.2175.4-92.5-31.3000109.6T69 T73T69-D71 PolarHBondContact O-N 3.08Å; D71-T73 PolarHBondContact O-N 3.37Å
72R63.8Low57.3Low156 Ų156101.5 Ų101.559%0.58959%0.588SS**  trans-77.217.5-178.8-64.6-173.6172.6165-4.3112.9P70 V127 L128P70-R72 WeakPolarHBondContact O-CG 3.47Å; P70-R72 PolarHBondContact O-N 3.16Å; R72-V127 HydrophobicContact CB-CG1 3.9Å; R72-V127 CarbonylContact O-C 3.58Å; R72-V127 VanDerWaalsContact O-CA 3.28Å; R72-V127 WeakPolarHBondContact O-CA 3.38Å; R72-L128 PolarHBondContact O-N 3.09Å
73T68.5Low60Low66 Ų6698.6 Ų98.641%0.40555%0.554SS.*BIsolated β-bridgetrans-87.7125.2-173.347.90000112D71 W126D71-T73 PolarHBondContact O-N 3.37Å; T73-W126 CarbonylContact C-O 3.6Å; T73-W126 VanDerWaalsContact CA-O 3.25Å; T73-W126 WeakPolarHBondContact CA-O 3.13Å
74C73.1Confident62.5Low14 Ų1495.9 Ų95.910%0.09553%0.526CS..  trans-86.7115.7174.6-56.40000110.4F77 C117 W126C74-F77 HydrophobicContact CB-CE1 4.27Å; C74-C117 HydrophobicContact CB-CB 3.62Å; C74-C117 WeakPolarHBondContact CB-SG 3.23Å; C74-C117 WeakPolarHBondContact SG-CB 3.3Å; C74-C117 CovalentContact SG-SG 2.03Å; C74-C117 PolarHBondContact SG-SG 3.33Å; C74-W126 HydrophobicContact CB-CB 4.06Å; C74-W126 PolarHBondContact N-O 2.79Å
75V66.1Low64.8Low113 Ų11394 Ų9469%0.68551%0.513SS*.  trans-105-37.6-178.8-168.40000111.6
76D76.3Confident67.3Low129 Ų12998.8 Ų98.869%0.6951%0.51SS*.  trans-107.2125.9-179-67.7-41.1000111.7T49T49-D76 VanDerWaalsContact CB-O 3.26Å; T49-D76 WeakPolarHBondContact CB-O 3.4Å; T49-D76 PolarHBondContact OG1-O 3.47Å
77F80.9Confident69.8Low80 Ų8090 Ų9035%0.35147%0.467SS..  trans-103.8135.8177.4-57.3-65.8000111.1R47 F48 C74 C117 W126R47-F77 HydrophobicContact CB-CD1 3.39Å; R47-F77 HydrophobicContact CB-CE1 3.61Å; R47-F77 HydrophobicContact CB-CG 4.17Å; R47-F77 HydrophobicContact CG-CD1 3.99Å; R47-F77 HydrophobicContact CG-CE1 4.08Å; R47-F77 HydrophobicContact CG-CG 4.39Å; F48-F77 WeakPolarHBondContact O-CA 3.27Å; C74-F77 HydrophobicContact CB-CE1 4.27Å; F77-C117 HydrophobicContact CE1-CB 4.33Å; F77-W126 HydrophobicContact CE1-CD2 4.11Å; F77-W126 HydrophobicContact CE1-CE3 4.22Å; F77-W126 HydrophobicContact CE1-CG 4.29Å; F77-W126 HydrophobicContact CZ-CB 4.32Å; F77-W126 AromaticContact CZ-CD1 3.86Å; F77-W126 AromaticContact CZ-CD2 3.75Å; F77-W126 HydrophobicContact CZ-CD2 3.75Å; F77-W126 AromaticContact CZ-CE2 3.91Å; F77-W126 HydrophobicContact CZ-CE3 4.3Å; F77-W126 AromaticContact CZ-CG 3.73Å; F77-W126 HydrophobicContact CZ-CG 3.73Å; F77-W126 AromaticContact CZ-NE1 3.97Å
78T81.8Confident72.2Confident15 Ų1586.9 Ų86.99%0.09245%0.454CS..  trans-71.1146.2179.1-171.20000111.8F48 E50 D80 I81 Y114F48-T78 HydrophobicContact CB-CG2 3.84Å; F48-T78 PolarHBondContact O-N 2.97Å; E50-T78 WeakPolarHBondContact OE1-CB 3.47Å; E50-T78 PolarHBondContact OE1-OG1 3.28Å; T78-D80 WeakPolarHBondContact OG1-CB 3.45Å; T78-D80 PolarHBondContact OG1-N 3.15Å; T78-D80 VanDerWaalsContact OG1-N 3.1Å; T78-I81 HydrophobicContact CG2-CB 4.03Å; T78-I81 HydrophobicContact CG2-CD1 4.41Å; T78-I81 HydrophobicContact CG2-CG1 4.18Å; T78-Y114 HydrophobicContact CG2-CD1 3.77Å; T78-Y114 HydrophobicContact CG2-CE1 3.91Å
79K79.8Confident74.7Confident170 Ų17080.9 Ų80.974%0.73942%0.423SS*.SBendtrans-96-3.1170.3-65.7179.4-176172.40112.4I81 K103K79-I81 VanDerWaalsContact C-N 3.33Å; K79-K103 WeakPolarHBondContact O-CD 3.29Å; K79-K103 WeakPolarHBondContact O-CE 3.38Å; K79-K103 PolarHBondContact O-NZ 2.92Å
80D81.7Confident76.9Confident29 Ų2977.6 Ų77.616%0.15540%0.404CS..SBendtrans-82.6-19.8-174.6-60.6-16.8000110.9T78 K103 Y114T78-D80 WeakPolarHBondContact OG1-CB 3.45Å; T78-D80 PolarHBondContact OG1-N 3.15Å; T78-D80 VanDerWaalsContact OG1-N 3.1Å; D80-K103 VanDerWaalsContact O-CB 3.28Å; D80-K103 WeakPolarHBondContact O-CB 3.3Å; D80-K103 PolarHBondContact O-N 2.72Å; D80-Y114 HydrophobicContact CB-CE1 4.15Å; D80-Y114 WeakPolarHBondContact CB-OH 2.93Å; D80-Y114 PolarHBondContact OD2-OH 3.01Å
81I83.9Confident78Confident11 Ų1181.9 Ų81.96%0.05642%0.422CS..EExtended strand (participates in β ladder)trans-116.5118.8175-59.4178.6000110F48 T78 K79 V100 Y114 F136F48-I81 HydrophobicContact CB-CB 4.37Å; F48-I81 HydrophobicContact CB-CD1 4.01Å; F48-I81 HydrophobicContact CD1-CD1 4.15Å; F48-I81 HydrophobicContact CD2-CB 4.31Å; F48-I81 HydrophobicContact CD2-CG2 3.62Å; F48-I81 HydrophobicContact CE2-CG2 3.99Å; F48-I81 HydrophobicContact CG-CB 4.45Å; F48-I81 HydrophobicContact CG-CD1 3.98Å; F48-I81 HydrophobicContact CG-CG2 4.13Å; T78-I81 HydrophobicContact CG2-CB 4.03Å; T78-I81 HydrophobicContact CG2-CD1 4.41Å; T78-I81 HydrophobicContact CG2-CG1 4.18Å; K79-I81 VanDerWaalsContact C-N 3.33Å; I81-V100 HydrophobicContact CG2-CG1 3.13Å; I81-Y114 HydrophobicContact CD1-CD1 3.86Å; I81-Y114 HydrophobicContact CD1-CD2 3.75Å; I81-Y114 HydrophobicContact CD1-CE1 4.32Å; I81-Y114 HydrophobicContact CD1-CE2 4.24Å; I81-Y114 HydrophobicContact CD1-CG 3.52Å; I81-Y114 HydrophobicContact CG1-CD1 4.46Å; I81-Y114 HydrophobicContact CG1-CE1 4.49Å; I81-Y114 HydrophobicContact CG1-CG 4.49Å; I81-F136 HydrophobicContact CD1-CD1 3.7Å; I81-F136 HydrophobicContact CD1-CE1 3.93Å
82K85.7Confident79.3Confident110 Ų11085.3 Ų85.348%0.47842%0.424SS..EExtended strand (participates in β ladder)trans-98119.3174-75.9180171.9176.40110.3V100 Q101 K103K82-V100 CarbonylContact O-C 3.51Å; K82-V100 WeakPolarHBondContact O-CA 3.41Å; K82-Q101 HydrophobicContact CB-CB 4.28Å; K82-Q101 PolarHBondContact N-O 3.2Å; K82-Q101 PolarHBondContact O-N 3.07Å; K82-K103 VanDerWaalsContact CE-CE 3.44Å
83V84.9Confident79.9Confident21 Ų2178.5 Ų78.513%0.12740%0.402CS..EExtended strand (participates in β ladder)trans-85134.4174.8-175.90000110F48 L98F48-V83 HydrophobicContact CD2-CG2 3.98Å; F48-V83 HydrophobicContact CE2-CG2 3.98Å; V83-L98 HydrophobicContact CG1-CD1 3.92Å; V83-L98 HydrophobicContact CG1-CD2 3.41Å; V83-L98 VanDerWaalsContact CG1-CD2 3.41Å; V83-L98 HydrophobicContact CG1-CG 3.87Å
84G81.8Confident80.7Confident22 Ų2279 Ų7923%0.22741%0.406CS..EExtended strand (participates in β ladder)trans-65.8153.9179.700000113.9Y86 S99G84-Y86 VanDerWaalsContact C-N 3.28Å; G84-Y86 PolarHBondContact O-N 3.08Å; G84-S99 WeakPolarHBondContact CA-O 2.95Å; G84-S99 PolarHBondContact N-O 3.19Å
85S81.5Confident81.3Confident92 Ų9279 Ų7964%0.64341%0.405SS*.EExtended strand (participates in β ladder)trans-80.84.3-170.6-47.30000115.5W43W43-S85 WeakPolarHBondContact CZ2-O 3.37Å; W43-S85 PolarHBondContact NE1-O 3.13Å; W43-S85 VanDerWaalsContact NE1-O 3.09Å
86Y81.4Confident82.4Confident172 Ų17273.6 Ų73.668%0.67537%0.373SS*.EExtended strand (participates in β ladder)trans-151.214817768.3-86.1000111G84 L98G84-Y86 VanDerWaalsContact C-N 3.28Å; G84-Y86 PolarHBondContact O-N 3.08Å; Y86-L98 WeakPolarHBondContact O-CD1 3.16Å
87M83.6Confident83Confident5 Ų568.5 Ų68.53%0.02535%0.346CS..EExtended strand (participates in β ladder)trans-114.9126.3175.2-170.3174.7-164.200109.8F33 L38 S40 A42 W43 I46 V89 G96 L98F33-M87 HydrophobicContact CB-CE 3.61Å; F33-M87 HydrophobicContact CD2-CE 3.96Å; F33-M87 HydrophobicContact CG-CE 4.14Å; L38-M87 HydrophobicContact CD2-CE 3.65Å; L38-M87 HydrophobicContact CD2-SD 3.89Å; S40-M87 PolarHBondContact O-N 2.67Å; A42-M87 HydrophobicContact CB-SD 3.97Å; W43-M87 HydrophobicContact CB-CB 4.3Å; I46-M87 HydrophobicContact CD1-CE 4.37Å; M87-V89 HydrophobicContact CB-CG2 4.39Å; M87-V89 HydrophobicContact CG-CG2 4.03Å; M87-V89 PolarHBondContact O-N 2.86Å; M87-V89 HydrophobicContact SD-CG2 4.37Å; M87-G96 VanDerWaalsContact CE-C 3.48Å; M87-G96 VanDerWaalsContact CE-O 3.31Å; M87-G96 WeakPolarHBondContact CE-O 3.35Å; M87-L98 HydrophobicContact CB-CD1 4.48Å; M87-L98 HydrophobicContact CG-CB 4.48Å
88N85.9Confident83.4Confident112 Ų11264.8 Ų64.860%0.59933%0.33SS*.EExtended strand (participates in β ladder)trans-86.6104.1176.3-169.9-0000109.5G96 V97N88-G96 CarbonylContact O-C 3.58Å; N88-G96 WeakPolarHBondContact O-CA 3.46Å; N88-V97 PolarHBondContact N-O 3.26Å; N88-V97 PolarHBondContact O-N 3.45Å
89V85Confident83.7Confident30 Ų3066.1 Ų66.118%0.18234%0.34CS..EExtended strand (participates in β ladder)trans-98.5142.9-172.6-172.10000111.3L38 M87L38-V89 HydrophobicContact CB-CG1 3.72Å; L38-V89 HydrophobicContact CB-CG2 4.33Å; L38-V89 WeakPolarHBondContact O-CG1 3.49Å; M87-V89 HydrophobicContact CB-CG2 4.39Å; M87-V89 HydrophobicContact CG-CG2 4.03Å; M87-V89 PolarHBondContact O-N 2.86Å; M87-V89 HydrophobicContact SD-CG2 4.37Å
90S84.7Confident84.1Confident41 Ų4158 Ų5829%0.28731%0.305SS..  trans-65.9152.4174.767.60000112R92 G93 S95S90-R92 PolarHBondContact O-N 3.15Å; S90-G93 PolarHBondContact O-N 3.02Å; S90-S95 WeakPolarHBondContact CB-OG 3.18Å; S90-S95 PolarHBondContact N-O 2.72Å; S90-S95 PolarHBondContact OG-N 2.84Å; S90-S95 PolarHBondContact OG-O 2.89Å; S90-S95 PolarHBondContact OG-OG 2.88Å
91N75.9Confident84.4Confident179 Ų17961.4 Ų61.496%0.95732%0.32SS*.THydrogen-bonded Turntrans-56.1-19.3-178.7-71-6.8000114.7
92R78.4Confident84.6Confident225 Ų22561.1 Ų61.185%0.84932%0.318SS*.THydrogen-bonded Turntrans-95.8-2177.7-64.6-172.4178.5-172.1-0.1113.6S90 T94S90-R92 PolarHBondContact O-N 3.15Å; R92-T94 HydrophobicContact CB-CG2 4.31Å; R92-T94 PolarHBondContact O-N 3.11Å
93G77.9Confident84.6Confident13 Ų1359.3 Ų59.313%0.13431%0.311CS..SBendtrans67.417-179.500000114.6Q37 L38 S90Q37-G93 PolarHBondContact N-O 2.72Å; L38-G93 WeakPolarHBondContact CB-O 3.45Å; L38-G93 PolarHBondContact N-O 3.03Å; S90-G93 PolarHBondContact O-N 3.02Å
94T84.1Confident84.4Confident77 Ų7761.7 Ų61.747%0.47233%0.326SS..SBendtrans-99.1-15.9-17453.80000114.3G35 R92G35-T94 PolarHBondContact N-O 2.79Å; G35-T94 VanDerWaalsContact N-O 3.08Å; G35-T94 CarbonylContact O-C 3.55Å; G35-T94 VanDerWaalsContact O-CA 3.25Å; G35-T94 WeakPolarHBondContact O-CA 3.44Å; R92-T94 HydrophobicContact CB-CG2 4.31Å; R92-T94 PolarHBondContact O-N 3.11Å
95S86.9Confident84.3Confident13 Ų1361.5 Ų61.59%0.09132%0.32CS..EExtended strand (participates in β ladder)trans-148.7143.7177.867.80000110.4F33 S90F33-S95 CarbonylContact O-C 3.6Å; F33-S95 VanDerWaalsContact O-CA 3.24Å; F33-S95 WeakPolarHBondContact O-CA 3.44Å; S90-S95 WeakPolarHBondContact CB-OG 3.18Å; S90-S95 PolarHBondContact N-O 2.72Å; S90-S95 PolarHBondContact OG-N 2.84Å; S90-S95 PolarHBondContact OG-O 2.89Å; S90-S95 PolarHBondContact OG-OG 2.88Å
96G87.8Confident84Confident0 Ų064 Ų640%032%0.315CS..EExtended strand (participates in β ladder)trans-142.3150.4170.100000112.6F33 M87 N88F33-G96 PolarHBondContact N-O 3.28Å; F33-G96 PolarHBondContact O-N 2.75Å; M87-G96 VanDerWaalsContact CE-C 3.48Å; M87-G96 VanDerWaalsContact CE-O 3.31Å; M87-G96 WeakPolarHBondContact CE-O 3.35Å; N88-G96 CarbonylContact O-C 3.58Å; N88-G96 WeakPolarHBondContact O-CA 3.46Å
97V88.7Confident83Confident22 Ų2266 Ų6613%0.13333%0.328CS..EExtended strand (participates in β ladder)trans-104.7132.1-177.2-170.30000109E7 Q30 L31 N88E7-V97 VanDerWaalsContact OE2-CG1 3.3Å; E7-V97 WeakPolarHBondContact OE2-CG1 3.01Å; E7-V97 WeakPolarHBondContact OE2-CG2 3.13Å; Q30-V97 HydrophobicContact CB-CG1 4.14Å; L31-V97 WeakPolarHBondContact O-CA 3.16Å; N88-V97 PolarHBondContact N-O 3.26Å; N88-V97 PolarHBondContact O-N 3.45Å
98L89Confident81.9Confident1 Ų170.6 Ų70.61%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-132131.3-176.8-179.664.4000109.4L31 F33 W43 I46 V83 Y86 M87L31-L98 PolarHBondContact N-O 3.26Å; L31-L98 PolarHBondContact O-N 3.05Å; F33-L98 HydrophobicContact CD2-CB 3.96Å; F33-L98 HydrophobicContact CD2-CD2 4.25Å; F33-L98 HydrophobicContact CE2-CB 3.77Å; F33-L98 HydrophobicContact CE2-CD2 3.66Å; F33-L98 HydrophobicContact CE2-CG 4.28Å; F33-L98 HydrophobicContact CZ-CD2 4.38Å; W43-L98 HydrophobicContact CB-CD1 3.69Å; W43-L98 HydrophobicContact CB-CD2 4.47Å; I46-L98 HydrophobicContact CB-CD2 4.42Å; I46-L98 HydrophobicContact CD1-CD2 3.95Å; I46-L98 HydrophobicContact CG2-CD2 4.33Å; V83-L98 HydrophobicContact CG1-CD1 3.92Å; V83-L98 HydrophobicContact CG1-CD2 3.41Å; V83-L98 VanDerWaalsContact CG1-CD2 3.41Å; V83-L98 HydrophobicContact CG1-CG 3.87Å; Y86-L98 WeakPolarHBondContact O-CD1 3.16Å; M87-L98 HydrophobicContact CB-CD1 4.48Å; M87-L98 HydrophobicContact CG-CB 4.48Å
99S88.9Confident81.3Confident43 Ų4368 Ų6830%0.30134%0.344SS..EExtended strand (participates in β ladder)trans-84.8133.8174.9-174.60000110V29 G84V29-S99 CarbonylContact O-C 3.59Å; V29-S99 WeakPolarHBondContact O-CA 3.47Å; G84-S99 WeakPolarHBondContact CA-O 2.95Å; G84-S99 PolarHBondContact N-O 3.19Å
100V88.6Confident80.6Confident0 Ų071 Ų710%036%0.364CS..EExtended strand (participates in β ladder)trans-127.5126.2-178.3178.60000108V29 L31 F48 I81 K82V29-V100 PolarHBondContact N-O 3.12Å; V29-V100 PolarHBondContact O-N 2.97Å; L31-V100 HydrophobicContact CD1-CG2 4Å; L31-V100 HydrophobicContact CG-CG2 4.42Å; F48-V100 HydrophobicContact CE2-CG1 4.26Å; F48-V100 HydrophobicContact CE2-CG2 4.23Å; I81-V100 HydrophobicContact CG2-CG1 3.13Å; K82-V100 CarbonylContact O-C 3.51Å; K82-V100 WeakPolarHBondContact O-CA 3.41Å
101Q88.6Confident80.3Confident101 Ų10174.6 Ų74.647%0.47238%0.376SS..EExtended strand (participates in β ladder)trans-105.7121.1178.7-172.2-178.926.200109.9K82K82-Q101 HydrophobicContact CB-CB 4.28Å; K82-Q101 PolarHBondContact N-O 3.2Å; K82-Q101 PolarHBondContact O-N 3.07Å
102V87.5Confident80.6Confident4 Ų467.4 Ų67.42%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-92.5129.9179.7-173.70000109.2E26 S27 F136 V138E26-V102 VanDerWaalsContact CA-O 3.31Å; E26-V102 WeakPolarHBondContact CA-O 3.4Å; S27-V102 PolarHBondContact O-N 2.8Å; V102-F136 HydrophobicContact CG2-CE1 3.82Å; V102-F136 HydrophobicContact CG2-CZ 3.89Å; V102-V138 HydrophobicContact CG1-CB 4.3Å; V102-V138 HydrophobicContact CG1-CG1 3.56Å; V102-V138 HydrophobicContact CG1-CG2 3.71Å
103K85.1Confident80.9Confident73 Ų7359 Ų5932%0.31731%0.307SS..PPolyproline II helixtrans-83.4163.8175.1-74.8-173-174.5161.20111.7K79 D80 K82K79-K103 WeakPolarHBondContact O-CD 3.29Å; K79-K103 WeakPolarHBondContact O-CE 3.38Å; K79-K103 PolarHBondContact O-NZ 2.92Å; D80-K103 VanDerWaalsContact O-CB 3.28Å; D80-K103 WeakPolarHBondContact O-CB 3.3Å; D80-K103 PolarHBondContact O-N 2.72Å; K82-K103 VanDerWaalsContact CE-CE 3.44Å
104P81.5Confident81.2Confident70 Ų7058.5 Ų58.546%0.45530%0.301SS..PPolyproline II helixtrans-60.6142.2174.924.6-34.4000111.5E26E26-P104 HydrophobicContact CG-CB 3.93Å; E26-P104 HydrophobicContact CG-CG 4.42Å
105L78.6Confident81.2Confident19 Ų1955 Ų5510%0.09928%0.28CS..PPolyproline II helixtrans-70.1158.3175.3-97.666.3000110.5E25 E109 K112 V138E25-L105 HydrophobicContact CB-CD1 4.22Å; E25-L105 PolarHBondContact OE2-N 3.2Å; L105-E109 WeakPolarHBondContact CD2-O 3.48Å; L105-K112 HydrophobicContact CD2-CB 4.01Å; L105-V138 HydrophobicContact CD1-CB 3.84Å; L105-V138 HydrophobicContact CD1-CG1 3.28Å
106R76.5Confident81.2Confident145 Ų14554.4 Ų54.455%0.54728%0.276SS..PPolyproline II helixtrans-67.8141.2171.4-65.8177.2-160.6166.811.2108.1S108 E109R106-S108 PolarHBondContact O-N 3.47Å; R106-E109 PolarHBondContact O-N 3.19Å; R106-E109 VanDerWaalsContact O-N 3.08Å
107K60.1Low81Confident214 Ų21454.4 Ų54.493%0.9328%0.276SS*.THydrogen-bonded Turntrans-55.41.5-174.9-66.7-174.5176.8-176.90116.7
108S60.2Low80.8Confident100 Ų10054.2 Ų54.270%0.69928%0.275SS*.THydrogen-bonded Turntrans-116.8-3-177.258.70000114.1R106R106-S108 PolarHBondContact O-N 3.47Å
109E72.7Confident80.5Confident59 Ų5956.8 Ų56.828%0.27629%0.288SS..  trans-121.9106.7-174.2-69.7172.7179.100109.4L105 R106 Q111 K112L105-E109 WeakPolarHBondContact CD2-O 3.48Å; R106-E109 PolarHBondContact O-N 3.19Å; R106-E109 VanDerWaalsContact O-N 3.08Å; E109-Q111 VanDerWaalsContact C-N 3.27Å; E109-Q111 PolarHBondContact O-N 3.38Å; E109-K112 IonicContact OE1-NZ 3.71Å; E109-K112 VanDerWaalsContact OE2-CD 3.31Å; E109-K112 WeakPolarHBondContact OE2-CD 3.39Å; E109-K112 IonicContact OE2-NZ 2.83Å; E109-K112 PolarHBondContact OE2-NZ 3.46Å
110P70.5Confident79.8Confident91 Ų9155.9 Ų55.959%0.59128%0.282SS*.SBendtrans-72.1-22.3-177.828.3-34.4000113E140P110-E140 PolarHBondContact O-N 3.4Å; P110-E140 VanDerWaalsContact O-N 3.07Å
111Q78.9Confident78.9Confident118 Ų11865.4 Ų65.455%0.55133%0.326SS*.EExtended strand (participates in β ladder)trans-151.9150.2174.564.8-176.71100109.9E109 L137 V138 V139E109-Q111 VanDerWaalsContact C-N 3.27Å; E109-Q111 PolarHBondContact O-N 3.38Å; Q111-L137 HydrophobicContact CB-CD1 4.27Å; Q111-V138 CarbonylContact C-O 3.57Å; Q111-V138 VanDerWaalsContact CA-O 3.23Å; Q111-V138 WeakPolarHBondContact CA-O 3.01Å; Q111-V139 HydrophobicContact CB-CG2 4.49Å
112K82.6Confident77.8Confident27 Ų2766.2 Ų66.212%0.11733%0.334CS..EExtended strand (participates in β ladder)trans-145.5134.2175.8-165.5171.1-164.8170.20112.3E50 L105 E109 Y114 V138E50-K112 WeakPolarHBondContact OE2-CE 3.26Å; E50-K112 IonicContact OE2-NZ 3.8Å; E50-K112 PolarHBondContact OE2-NZ 2.95Å; L105-K112 HydrophobicContact CD2-CB 4.01Å; E109-K112 IonicContact OE1-NZ 3.71Å; E109-K112 VanDerWaalsContact OE2-CD 3.31Å; E109-K112 WeakPolarHBondContact OE2-CD 3.39Å; E109-K112 IonicContact OE2-NZ 2.83Å; E109-K112 PolarHBondContact OE2-NZ 3.46Å; K112-Y114 HydrophobicContact CB-CE2 4.12Å; K112-Y114 HydrophobicContact CD-CE1 4.47Å; K112-Y114 HydrophobicContact CD-CE2 4.48Å; K112-Y114 HydrophobicContact CG-CE2 4.21Å; K112-V138 PolarHBondContact N-O 3.21Å; K112-V138 PolarHBondContact O-N 2.94Å
113E83.9Confident76.8Confident49 Ų4968.1 Ų68.123%0.22935%0.354CS..EExtended strand (participates in β ladder)trans-97.8135.2-178.4-165.8172.4-149.200111.7L51 R135 L137L51-E113 HydrophobicContact CD2-CG 4.46Å; L51-E113 WeakPolarHBondContact CD2-OE2 3.24Å; L51-E113 PolarHBondContact N-O 3.21Å; L51-E113 VanDerWaalsContact N-O 3.14Å; E113-R135 WeakPolarHBondContact OE1-CD 3.34Å; E113-R135 IonicContact OE1-NE 2.69Å; E113-R135 IonicContact OE1-NH1 2.66Å; E113-R135 PolarHBondContact OE1-NH1 2.85Å; E113-R135 IonicContact OE2-NH1 3.08Å; E113-R135 PolarHBondContact OE2-NH1 2.94Å; E113-L137 HydrophobicContact CB-CD1 4.12Å
114Y85.1Confident76Confident2 Ų270.3 Ų70.31%0.00837%0.374CS..EExtended strand (participates in β ladder)trans-122.9147.6178-58.9-90.8000109.7T49 E50 T78 D80 I81 K112 F136 V138T49-Y114 CarbonylContact O-C 3.5Å; T49-Y114 VanDerWaalsContact O-CA 3.31Å; T49-Y114 WeakPolarHBondContact O-CA 3.3Å; E50-Y114 HydrophobicContact CG-CD1 3.74Å; E50-Y114 HydrophobicContact CG-CE1 3.44Å; E50-Y114 VanDerWaalsContact CG-CE1 3.44Å; T78-Y114 HydrophobicContact CG2-CD1 3.77Å; T78-Y114 HydrophobicContact CG2-CE1 3.91Å; D80-Y114 HydrophobicContact CB-CE1 4.15Å; D80-Y114 WeakPolarHBondContact CB-OH 2.93Å; D80-Y114 PolarHBondContact OD2-OH 3.01Å; I81-Y114 HydrophobicContact CD1-CD1 3.86Å; I81-Y114 HydrophobicContact CD1-CD2 3.75Å; I81-Y114 HydrophobicContact CD1-CE1 4.32Å; I81-Y114 HydrophobicContact CD1-CE2 4.24Å; I81-Y114 HydrophobicContact CD1-CG 3.52Å; I81-Y114 HydrophobicContact CG1-CD1 4.46Å; I81-Y114 HydrophobicContact CG1-CE1 4.49Å; I81-Y114 HydrophobicContact CG1-CG 4.49Å; K112-Y114 HydrophobicContact CB-CE2 4.12Å; K112-Y114 HydrophobicContact CD-CE1 4.47Å; K112-Y114 HydrophobicContact CD-CE2 4.48Å; K112-Y114 HydrophobicContact CG-CE2 4.21Å; Y114-F136 HydrophobicContact CD2-CD1 4.41Å; Y114-F136 PolarHBondContact N-O 2.81Å; Y114-F136 PolarHBondContact O-N 2.65Å; Y114-V138 HydrophobicContact CD2-CG2 3.86Å; Y114-V138 HydrophobicContact CE2-CB 4.08Å; Y114-V138 HydrophobicContact CE2-CG2 3.61Å
115A83.8Confident75.9Confident4 Ų473.4 Ų73.43%0.03338%0.377CS..EExtended strand (participates in β ladder)trans-116.2146.6176.300000111.4F48 T49 L128 G134F48-A115 CarbonylContact C-O 3.58Å; F48-A115 WeakPolarHBondContact CA-O 3.38Å; T49-A115 HydrophobicContact CG2-CB 4.08Å; T49-A115 PolarHBondContact N-O 3.02Å; T49-A115 PolarHBondContact O-N 3.17Å; A115-L128 HydrophobicContact CB-CD1 3.55Å; A115-L128 HydrophobicContact CB-CG 4.09Å; A115-G134 CarbonylContact C-O 3.57Å; A115-G134 WeakPolarHBondContact CA-O 3.21Å
116L86Confident76Confident1 Ų175.3 Ų75.31%0.00538%0.382CS..EExtended strand (participates in β ladder)trans-82.2129.3177.8-168.481000111.1V1 M4 F33 I46 F48 T118 L129 G134V1-L116 HydrophobicContact CG1-CD2 4.48Å; M4-L116 HydrophobicContact SD-CB 4.4Å; M4-L116 HydrophobicContact SD-CD1 4.33Å; M4-L116 HydrophobicContact SD-CD2 4.23Å; F33-L116 HydrophobicContact CD1-CD2 4.13Å; F33-L116 HydrophobicContact CE1-CD1 3.74Å; F33-L116 HydrophobicContact CE1-CD2 3.57Å; F33-L116 HydrophobicContact CE1-CG 4.32Å; F33-L116 HydrophobicContact CZ-CD1 4.07Å; I46-L116 HydrophobicContact CG2-CD1 3.53Å; I46-L116 HydrophobicContact CG2-CG 4.43Å; F48-L116 HydrophobicContact CD1-CD1 4.02Å; F48-L116 HydrophobicContact CD2-CD1 4.49Å; F48-L116 HydrophobicContact CE1-CB 4.4Å; F48-L116 HydrophobicContact CE1-CD1 3.46Å; F48-L116 VanDerWaalsContact CE1-CD1 3.46Å; F48-L116 HydrophobicContact CE2-CD1 3.98Å; F48-L116 HydrophobicContact CZ-CD1 3.44Å; F48-L116 VanDerWaalsContact CZ-CD1 3.44Å; L116-T118 HydrophobicContact CD2-CG2 4.17Å; L116-T118 HydrophobicContact CG-CG2 4.45Å; L116-L129 HydrophobicContact CB-CB 4.44Å; L116-L129 HydrophobicContact CD2-CB 4.3Å; L116-L129 HydrophobicContact CD2-CD2 3.56Å; L116-L129 PolarHBondContact O-N 3.11Å; L116-G134 WeakPolarHBondContact CB-O 3.47Å; L116-G134 PolarHBondContact N-O 2.78Å
117C84.5Confident76.1Confident0 Ų070.1 Ų70.10%037%0.367CS..EExtended strand (participates in β ladder)trans-114.3135.4175.6-61.50000110.4R47 T49 C74 F77 W126 V127R47-C117 PolarHBondContact N-O 3.33Å; R47-C117 VanDerWaalsContact N-O 3.09Å; R47-C117 PolarHBondContact O-N 3.44Å; T49-C117 WeakPolarHBondContact CG2-SG 3.28Å; C74-C117 HydrophobicContact CB-CB 3.62Å; C74-C117 WeakPolarHBondContact CB-SG 3.23Å; C74-C117 WeakPolarHBondContact SG-CB 3.3Å; C74-C117 CovalentContact SG-SG 2.03Å; C74-C117 PolarHBondContact SG-SG 3.33Å; F77-C117 HydrophobicContact CE1-CB 4.33Å; C117-W126 HydrophobicContact CB-CE3 4.29Å; C117-V127 WeakPolarHBondContact CA-O 3.42Å
118T84.6Confident77.1Confident17 Ų1762.3 Ų62.310%0.10434%0.335CS..EExtended strand (participates in β ladder)trans-127.9153-17866.60000110.5V1 Q45 L116 W126 V127 L129V1-T118 HydrophobicContact CB-CG2 3.89Å; V1-T118 HydrophobicContact CG1-CG2 4.48Å; V1-T118 HydrophobicContact CG2-CG2 4.4Å; Q45-T118 WeakPolarHBondContact O-CA 3.04Å; L116-T118 HydrophobicContact CD2-CG2 4.17Å; L116-T118 HydrophobicContact CG-CG2 4.45Å; T118-W126 CarbonylContact O-C 3.48Å; T118-W126 WeakPolarHBondContact O-CA 3.37Å; T118-V127 PolarHBondContact N-O 3.06Å; T118-V127 PolarHBondContact O-N 3.48Å; T118-L129 HydrophobicContact CG2-CB 4.41Å
119L81.7Confident77.6Confident55 Ų5558.7 Ų58.729%0.28831%0.308SS..EExtended strand (participates in β ladder)trans-76.3132.5178.6-162.370.7000110.9Q45 W126Q45-L119 HydrophobicContact CB-CB 4.32Å; L119-W126 HydrophobicContact CD1-CD2 4.03Å; L119-W126 HydrophobicContact CD1-CG 4.23Å; L119-W126 HydrophobicContact CD1-CZ2 4.15Å
120S75.3Confident77.3Confident24 Ų2457.9 Ų57.917%0.16832%0.315CS..  trans-65158.5176.3-174.30000112D122 G123 R125S120-D122 PolarHBondContact O-N 3.44Å; S120-D122 VanDerWaalsContact O-N 3.16Å; S120-G123 PolarHBondContact O-N 3.19Å; S120-R125 WeakPolarHBondContact CB-O 3.29Å; S120-R125 PolarHBondContact N-O 3.39Å; S120-R125 PolarHBondContact OG-NE 3.11Å; S120-R125 VanDerWaalsContact OG-NE 3.14Å
121E68.3Low76.9Confident201 Ų20160.4 Ų60.494%0.93932%0.319SS*.THydrogen-bonded Turntrans-56.4-31.9-178.2-66.9-174.1161.600113.7G123E121-G123 PolarHBondContact O-N 3.28Å
122D65.8Low76.1Confident118 Ų11857.1 Ų57.163%0.63131%0.309SS*.THydrogen-bonded Turntrans-75.7-4.7176.6-51.7-47.2000114.1S120 T124S120-D122 PolarHBondContact O-N 3.44Å; S120-D122 VanDerWaalsContact O-N 3.16Å; D122-T124 PolarHBondContact O-N 3.43Å; D122-T124 VanDerWaalsContact O-N 3.14Å
123G66.3Low75.4Confident44 Ų4460.2 Ų60.245%0.45433%0.327SS..SBendtrans72.4-1.7178.500000116S120 E121S120-G123 PolarHBondContact O-N 3.19Å; E121-G123 PolarHBondContact O-N 3.28Å
124T69.9Low74.7Confident119 Ų11958 Ų5873%0.7332%0.317SS*.SBendtrans-102.3-23.7-169.951.70000115.1D122D122-T124 PolarHBondContact O-N 3.43Å; D122-T124 VanDerWaalsContact O-N 3.14Å
125R78.1Confident74.6Confident134 Ų13461 Ų6151%0.50633%0.328SS..  trans-127.7141.3-175.665.7-178.6178.9173.7-5.5112.5S120 V127S120-R125 WeakPolarHBondContact CB-O 3.29Å; S120-R125 PolarHBondContact N-O 3.39Å; S120-R125 PolarHBondContact OG-NE 3.11Å; S120-R125 VanDerWaalsContact OG-NE 3.14Å; R125-V127 HydrophobicContact CG-CG2 4.12Å
126W80.8Confident74.5Confident59 Ų5960.9 Ų60.922%0.22333%0.327CS..EExtended strand (participates in β ladder)trans-92128.1171.9-72.888000109.9Q45 R47 T73 C74 F77 C117 T118 L119Q45-W126 VanDerWaalsContact O-CZ3 3.28Å; Q45-W126 WeakPolarHBondContact O-CZ3 3.31Å; R47-W126 HydrophobicContact CB-CH2 4.49Å; R47-W126 HydrophobicContact CB-CZ3 4.14Å; R47-W126 HydrophobicContact CG-CH2 3.82Å; R47-W126 HydrophobicContact CG-CZ2 4.47Å; R47-W126 HydrophobicContact CG-CZ3 3.97Å; T73-W126 CarbonylContact C-O 3.6Å; T73-W126 VanDerWaalsContact CA-O 3.25Å; T73-W126 WeakPolarHBondContact CA-O 3.13Å; C74-W126 HydrophobicContact CB-CB 4.06Å; C74-W126 PolarHBondContact N-O 2.79Å; F77-W126 HydrophobicContact CE1-CD2 4.11Å; F77-W126 HydrophobicContact CE1-CE3 4.22Å; F77-W126 HydrophobicContact CE1-CG 4.29Å; F77-W126 HydrophobicContact CZ-CB 4.32Å; F77-W126 AromaticContact CZ-CD1 3.86Å; F77-W126 AromaticContact CZ-CD2 3.75Å; F77-W126 HydrophobicContact CZ-CD2 3.75Å; F77-W126 AromaticContact CZ-CE2 3.91Å; F77-W126 HydrophobicContact CZ-CE3 4.3Å; F77-W126 AromaticContact CZ-CG 3.73Å; F77-W126 HydrophobicContact CZ-CG 3.73Å; F77-W126 AromaticContact CZ-NE1 3.97Å; C117-W126 HydrophobicContact CB-CE3 4.29Å; T118-W126 CarbonylContact O-C 3.48Å; T118-W126 WeakPolarHBondContact O-CA 3.37Å; L119-W126 HydrophobicContact CD1-CD2 4.03Å; L119-W126 HydrophobicContact CD1-CG 4.23Å; L119-W126 HydrophobicContact CD1-CZ2 4.15Å
127V79.8Confident74.4Confident36 Ų3661.9 Ų61.922%0.21833%0.332CS..EExtended strand (participates in β ladder)trans-120.6137.9-176-174.50000110.4R72 C117 T118 R125R72-V127 HydrophobicContact CB-CG1 3.9Å; R72-V127 CarbonylContact O-C 3.58Å; R72-V127 VanDerWaalsContact O-CA 3.28Å; R72-V127 WeakPolarHBondContact O-CA 3.38Å; C117-V127 WeakPolarHBondContact CA-O 3.42Å; T118-V127 PolarHBondContact N-O 3.06Å; T118-V127 PolarHBondContact O-N 3.48Å; R125-V127 HydrophobicContact CG-CG2 4.12Å
128L79.4Confident74.3Confident50 Ų5061.9 Ų61.926%0.26233%0.332SS..EExtended strand (participates in β ladder)trans-70.2129.9176-170.8138.9000111T49 R72 A115 G130T49-L128 HydrophobicContact CG2-CD1 4.33Å; R72-L128 PolarHBondContact O-N 3.09Å; A115-L128 HydrophobicContact CB-CD1 3.55Å; A115-L128 HydrophobicContact CB-CG 4.09Å; L128-G130 WeakPolarHBondContact CD2-O 3.42Å; L128-G130 PolarHBondContact O-N 2.89Å
129L72.3Confident74.2Confident24 Ų2462.7 Ų62.713%0.12634%0.337CS..  trans-85.294-175.7-17373.5000111.5V1 L116 T118 G134V1-L129 HydrophobicContact CG1-CD2 4.19Å; V1-L129 WeakPolarHBondContact O-CD1 3.22Å; L116-L129 HydrophobicContact CB-CB 4.44Å; L116-L129 HydrophobicContact CD2-CB 4.3Å; L116-L129 HydrophobicContact CD2-CD2 3.56Å; L116-L129 PolarHBondContact O-N 3.11Å; T118-L129 HydrophobicContact CG2-CB 4.41Å; L129-G134 WeakPolarHBondContact O-CA 3.45Å; L129-G134 PolarHBondContact O-N 3.11Å
130G65.3Low74.1Confident42 Ų4264.4 Ų64.443%0.43334%0.343SS..  trans64.8160.3167.400000115.4L128L128-G130 WeakPolarHBondContact CD2-O 3.42Å; L128-G130 PolarHBondContact O-N 2.89Å
131E62.3Low73.7Confident145 Ų14567.3 Ų67.368%0.67836%0.355SS*.SBendtrans-80.2-18179.4-72.2-173.8-172.100113.7R135E131-R135 VanDerWaalsContact O-CZ 3.23Å; E131-R135 PolarHBondContact O-NE 3.15Å; E131-R135 PolarHBondContact O-NH2 3.5Å
132S61.7Low73.4Confident49 Ų4967.8 Ų67.834%0.34335%0.353SS..SBendtrans-123.3-43.9-179.852.40000113G134 R135S132-G134 PolarHBondContact O-N 3.44Å; S132-G134 VanDerWaalsContact O-N 3.12Å; S132-R135 PolarHBondContact O-N 3.38Å
133D67.8Low73Confident92 Ų9269.1 Ų69.149%0.49235%0.353SS..THydrogen-bonded Turntrans-79.3-0.6-163.7-57-15.9000114.8
134G70.9Confident72.6Confident1 Ų170.5 Ų70.51%0.0136%0.356CS..THydrogen-bonded Turntrans-123.310.7-178.800000114.5M4 A115 L116 L129 S132M4-G134 WeakPolarHBondContact CE-O 3.41Å; A115-G134 CarbonylContact C-O 3.57Å; A115-G134 WeakPolarHBondContact CA-O 3.21Å; L116-G134 WeakPolarHBondContact CB-O 3.47Å; L116-G134 PolarHBondContact N-O 2.78Å; L129-G134 WeakPolarHBondContact O-CA 3.45Å; L129-G134 PolarHBondContact O-N 3.11Å; S132-G134 PolarHBondContact O-N 3.44Å; S132-G134 VanDerWaalsContact O-N 3.12Å
135R82.2Confident72.1Confident67 Ų6773 Ų7325%0.25336%0.364SS..EExtended strand (participates in β ladder)trans-91.4140.5-177-57.5-152.3-165.3-173.86.3113.9M4 V20 I21 E113 E131 S132M4-R135 WeakPolarHBondContact CE-O 3.22Å; V20-R135 HydrophobicContact CB-CB 4.31Å; V20-R135 HydrophobicContact CG1-CB 3.83Å; V20-R135 HydrophobicContact CG2-CB 3.93Å; I21-R135 PolarHBondContact N-O 2.86Å; E113-R135 WeakPolarHBondContact OE1-CD 3.34Å; E113-R135 IonicContact OE1-NE 2.69Å; E113-R135 IonicContact OE1-NH1 2.66Å; E113-R135 PolarHBondContact OE1-NH1 2.85Å; E113-R135 IonicContact OE2-NH1 3.08Å; E113-R135 PolarHBondContact OE2-NH1 2.94Å; E131-R135 VanDerWaalsContact O-CZ 3.23Å; E131-R135 PolarHBondContact O-NE 3.15Å; E131-R135 PolarHBondContact O-NH2 3.5Å; S132-R135 PolarHBondContact O-N 3.38Å
136F81.6Confident71.7Confident0 Ų069.9 Ų69.90%036%0.357CS..EExtended strand (participates in β ladder)trans-138.2109.7-174.1-170.4-94.7000109.8M4 I21 V23 V29 L31 F48 I81 V102 Y114 V138M4-F136 HydrophobicContact CE-CB 4.22Å; I21-F136 HydrophobicContact CB-CD2 4.17Å; I21-F136 HydrophobicContact CG2-CD2 4.15Å; I21-F136 HydrophobicContact CG2-CE2 4.13Å; I21-F136 CarbonylContact O-C 3.52Å; I21-F136 WeakPolarHBondContact O-CA 3.34Å; V23-F136 HydrophobicContact CB-CZ 4.03Å; V23-F136 HydrophobicContact CG2-CD2 4.44Å; V23-F136 HydrophobicContact CG2-CE1 4.39Å; V23-F136 HydrophobicContact CG2-CE2 3.54Å; V23-F136 HydrophobicContact CG2-CZ 3.51Å; V29-F136 HydrophobicContact CG2-CZ 4.38Å; L31-F136 HydrophobicContact CD1-CD2 4.24Å; L31-F136 HydrophobicContact CD1-CE2 4.05Å; L31-F136 HydrophobicContact CD2-CE2 4.3Å; F48-F136 HydrophobicContact CE1-CB 4.24Å; F48-F136 HydrophobicContact CE1-CG 4.39Å; I81-F136 HydrophobicContact CD1-CD1 3.7Å; I81-F136 HydrophobicContact CD1-CE1 3.93Å; V102-F136 HydrophobicContact CG2-CE1 3.82Å; V102-F136 HydrophobicContact CG2-CZ 3.89Å; Y114-F136 HydrophobicContact CD2-CD1 4.41Å; Y114-F136 PolarHBondContact N-O 2.81Å; Y114-F136 PolarHBondContact O-N 2.65Å; F136-V138 HydrophobicContact CD1-CG2 3.9Å; F136-V138 HydrophobicContact CE1-CG2 3.61Å
137L83.9Confident71.7Confident23 Ų2370.2 Ų70.212%0.1237%0.367CS..EExtended strand (participates in β ladder)trans-101.4126.3-177-178.668.8000110.3V20 I21 Q22 V23 Q111 E113 V139V20-L137 HydrophobicContact CG1-CB 3.99Å; I21-L137 PolarHBondContact O-N 3.4Å; Q22-L137 CarbonylContact C-O 3.59Å; Q22-L137 WeakPolarHBondContact CA-O 3.49Å; Q22-L137 HydrophobicContact CG-CD2 4.13Å; Q22-L137 HydrophobicContact CG-CG 4.5Å; V23-L137 PolarHBondContact N-O 2.94Å; Q111-L137 HydrophobicContact CB-CD1 4.27Å; E113-L137 HydrophobicContact CB-CD1 4.12Å; L137-V139 HydrophobicContact CD2-CG2 4.45Å; L137-V139 HydrophobicContact CG-CG2 4.35Å
138V83.3Confident71.7Confident0 Ų073.9 Ų73.90%038%0.383CS..EExtended strand (participates in β ladder)trans-106.9132.9175.2-172.50000110.3V23 E25 V102 L105 Q111 K112 Y114 F136V23-V138 CarbonylContact O-C 3.6Å; V23-V138 VanDerWaalsContact O-CA 3.22Å; V23-V138 WeakPolarHBondContact O-CA 3.44Å; E25-V138 HydrophobicContact CB-CG1 4.24Å; V102-V138 HydrophobicContact CG1-CB 4.3Å; V102-V138 HydrophobicContact CG1-CG1 3.56Å; V102-V138 HydrophobicContact CG1-CG2 3.71Å; L105-V138 HydrophobicContact CD1-CB 3.84Å; L105-V138 HydrophobicContact CD1-CG1 3.28Å; Q111-V138 CarbonylContact C-O 3.57Å; Q111-V138 VanDerWaalsContact CA-O 3.23Å; Q111-V138 WeakPolarHBondContact CA-O 3.01Å; K112-V138 PolarHBondContact N-O 3.21Å; K112-V138 PolarHBondContact O-N 2.94Å; Y114-V138 HydrophobicContact CD2-CG2 3.86Å; Y114-V138 HydrophobicContact CE2-CB 4.08Å; Y114-V138 HydrophobicContact CE2-CG2 3.61Å; F136-V138 HydrophobicContact CD1-CG2 3.9Å; F136-V138 HydrophobicContact CE1-CG2 3.61Å
139V82.4Confident72Confident33 Ų3379.7 Ų79.720%0.240%0.402CS..EExtended strand (participates in β ladder)trans-121.2142.5-177-171.40000111.4Q22 V23 T24 E25 Q111 L137Q22-V139 HydrophobicContact CG-CG2 3.71Å; V23-V139 PolarHBondContact O-N 2.88Å; T24-V139 CarbonylContact C-O 3.58Å; T24-V139 WeakPolarHBondContact CA-O 3.41Å; E25-V139 PolarHBondContact N-O 2.9Å; Q111-V139 HydrophobicContact CB-CG2 4.49Å; L137-V139 HydrophobicContact CD2-CG2 4.45Å; L137-V139 HydrophobicContact CG-CG2 4.35Å
140E77.9Confident72.6Confident91 Ų9181.5 Ų81.543%0.42541%0.411SS..  trans-66.4143.6176.3-169.5177.3-170.700112.8P110P110-E140 PolarHBondContact O-N 3.4Å; P110-E140 VanDerWaalsContact O-N 3.07Å
141E68.6Low73.5Confident86 Ų8679.7 Ų79.740%0.40239%0.391SS..  trans-82119.6175.4-171.2172.7-17900110.3K11 E25 K143K11-E141 IonicContact NZ-OE2 2.83Å; K11-E141 PolarHBondContact NZ-OE2 3.06Å; E25-E141 HydrophobicContact CG-CB 4.31Å; E141-K143 PolarHBondContact O-N 2.67Å
142K60.8Low74.6Confident210 Ų21076.5 Ų76.591%0.91338%0.382SS*.  trans-63.8108.3176.6-70.6-175.3-179.1-178.40110.2
143K58.2Low76Confident146 Ų14679.3 Ų79.364%0.63539%0.392SS*.  trans-88.5123.5174.2-66.9172.6-173.6164.70110E141 L145E141-K143 PolarHBondContact O-N 2.67Å; K143-L145 PolarHBondContact O-N 3.33Å
144S57.9Low77Confident73 Ų7378 Ų7851%0.5138%0.384SS..  trans-63.2132172.9-61.40000110.6L146S144-L146 VanDerWaalsContact C-N 3.26Å; S144-L146 PolarHBondContact O-N 3.44Å
145L59.6Low77.8Confident172 Ų17278.9 Ų78.990%0.90139%0.389SS*.SBendtrans-73.7-8.4-169.4-65.9171.7000114.6K143K143-L145 PolarHBondContact O-N 3.33Å
146L69.9Low78.2Confident68 Ų6879.2 Ų79.236%0.35640%0.401SS..SBendtrans-133.8147.8-175.1-66.7174.1000112.3S144 L150 Q151S144-L146 VanDerWaalsContact C-N 3.26Å; S144-L146 PolarHBondContact O-N 3.44Å; L146-L150 HydrophobicContact CB-CD2 4.46Å; L146-L150 HydrophobicContact CD1-CD2 4.16Å; L146-L150 HydrophobicContact CD2-CD2 4.14Å; L146-L150 HydrophobicContact CG-CD2 4.5Å; L146-Q151 HydrophobicContact CB-CG 3.66Å; L146-Q151 HydrophobicContact CD1-CG 4.28Å
147P80.5Confident78.6Confident66 Ų6682.3 Ų82.343%0.42942%0.422SS..  trans-60.4136.3171.8-20.131.3000111.8W149 L150 Q151P147-W149 VanDerWaalsContact C-N 3.27Å; P147-W149 HydrophobicContact CB-CG 4.45Å; P147-W149 VanDerWaalsContact CB-NE1 3.32Å; P147-W149 PolarHBondContact O-N 3.13Å; P147-W149 VanDerWaalsContact O-N 3.15Å; P147-L150 HydrophobicContact CB-CB 4.4Å; P147-L150 WeakPolarHBondContact O-CB 3.39Å; P147-L150 PolarHBondContact O-N 3.19Å; P147-Q151 PolarHBondContact O-N 3.34Å
148M79.7Confident79Confident114 Ų11482.1 Ų82.156%0.56242%0.421SS*.Hα-helixtrans-51.2-41.5-177.9-70.2-70.2-73.300113.8L150 Q151 V152 L230M148-L150 VanDerWaalsContact C-N 3.31Å; M148-L150 PolarHBondContact O-N 3.04Å; M148-Q151 PolarHBondContact O-N 3.11Å; M148-V152 WeakPolarHBondContact O-CG2 3.4Å; M148-V152 PolarHBondContact O-N 3.34Å; M148-L230 HydrophobicContact CE-CD1 3.35Å; M148-L230 HydrophobicContact CE-CG 4.38Å; M148-L230 HydrophobicContact SD-CD1 3.6Å; M148-L230 VanDerWaalsContact SD-CD1 3.6Å
149W85.1Confident79.3Confident171 Ų17184.2 Ų84.265%0.64843%0.432SS*.Hα-helixtrans-64.7-36.5179.664.9-91.8000112.2P147 I153P147-W149 VanDerWaalsContact C-N 3.27Å; P147-W149 HydrophobicContact CB-CG 4.45Å; P147-W149 VanDerWaalsContact CB-NE1 3.32Å; P147-W149 PolarHBondContact O-N 3.13Å; P147-W149 VanDerWaalsContact O-N 3.15Å; W149-I153 HydrophobicContact CE3-CD1 3.82Å; W149-I153 HydrophobicContact CZ3-CD1 4.15Å; W149-I153 VanDerWaalsContact O-CG1 3.31Å; W149-I153 WeakPolarHBondContact O-CG1 3.29Å; W149-I153 PolarHBondContact O-N 3.34Å
150L85.1Confident79.7Confident62 Ų6287.2 Ų87.233%0.32545%0.451SS..Hα-helixtrans-73.9-37.6178.8-173.7145.2000110.9L146 P147 M148 I153 L154L146-L150 HydrophobicContact CB-CD2 4.46Å; L146-L150 HydrophobicContact CD1-CD2 4.16Å; L146-L150 HydrophobicContact CD2-CD2 4.14Å; L146-L150 HydrophobicContact CG-CD2 4.5Å; P147-L150 HydrophobicContact CB-CB 4.4Å; P147-L150 WeakPolarHBondContact O-CB 3.39Å; P147-L150 PolarHBondContact O-N 3.19Å; M148-L150 VanDerWaalsContact C-N 3.31Å; M148-L150 PolarHBondContact O-N 3.04Å; L150-I153 PolarHBondContact O-N 2.53Å; L150-L154 VanDerWaalsContact O-CB 3.28Å; L150-L154 WeakPolarHBondContact O-CB 3.33Å; L150-L154 PolarHBondContact O-N 2.94Å
151Q83.5Confident80.3Confident4 Ų485 Ų852%0.01944%0.441CS..Hα-helixtrans-61-45173-72.6-179-39.500111.8L146 P147 M148 I153 L154 I155 L230L146-Q151 HydrophobicContact CB-CG 3.66Å; L146-Q151 HydrophobicContact CD1-CG 4.28Å; P147-Q151 PolarHBondContact O-N 3.34Å; M148-Q151 PolarHBondContact O-N 3.11Å; Q151-I153 PolarHBondContact O-N 2.92Å; Q151-L154 PolarHBondContact O-N 3.15Å; Q151-I155 WeakPolarHBondContact O-CB 3.28Å; Q151-I155 VanDerWaalsContact O-CG1 3.22Å; Q151-I155 WeakPolarHBondContact O-CG1 3.19Å; Q151-I155 PolarHBondContact O-N 3.41Å; Q151-L230 HydrophobicContact CB-CD1 4.39Å
152V86.9Confident81.4Confident79 Ų7981 Ų8148%0.47942%0.422SS..Hα-helixtrans-64-42.5178.81750000111.7M148 L154 I155 S156 L230M148-V152 WeakPolarHBondContact O-CG2 3.4Å; M148-V152 PolarHBondContact O-N 3.34Å; V152-L154 VanDerWaalsContact C-N 3.33Å; V152-L154 PolarHBondContact O-N 3.31Å; V152-I155 PolarHBondContact O-N 3.27Å; V152-S156 WeakPolarHBondContact O-CB 3.22Å; V152-S156 PolarHBondContact O-N 2.83Å; V152-L230 HydrophobicContact CG2-CD1 4.49Å; V152-L230 HydrophobicContact CG2-CD2 4.32Å
153I89.6Confident82.8Confident108 Ų10871.1 Ų71.155%0.55438%0.38SS*.Hα-helixtrans-62.3-43.1175.4-68.3170.2000110.6W149 L150 Q151 S156 C157W149-I153 HydrophobicContact CE3-CD1 3.82Å; W149-I153 HydrophobicContact CZ3-CD1 4.15Å; W149-I153 VanDerWaalsContact O-CG1 3.31Å; W149-I153 WeakPolarHBondContact O-CG1 3.29Å; W149-I153 PolarHBondContact O-N 3.34Å; L150-I153 PolarHBondContact O-N 2.53Å; Q151-I153 PolarHBondContact O-N 2.92Å; I153-S156 PolarHBondContact O-N 3.47Å; I153-C157 WeakPolarHBondContact O-CB 3.49Å; I153-C157 PolarHBondContact O-N 2.79Å
154L89.6Confident84.4Confident63 Ų6365.9 Ų65.933%0.3336%0.359SS..Hα-helixtrans-65-43.8179.3-17661.1000111.8L150 Q151 V152 C157 L158 L226L150-L154 VanDerWaalsContact O-CB 3.28Å; L150-L154 WeakPolarHBondContact O-CB 3.33Å; L150-L154 PolarHBondContact O-N 2.94Å; Q151-L154 PolarHBondContact O-N 3.15Å; V152-L154 VanDerWaalsContact C-N 3.33Å; V152-L154 PolarHBondContact O-N 3.31Å; L154-C157 PolarHBondContact O-N 3.03Å; L154-L158 HydrophobicContact CD1-CD1 4.38Å; L154-L158 HydrophobicContact CD1-CG 4.42Å; L154-L158 HydrophobicContact CG-CD1 4.07Å; L154-L158 WeakPolarHBondContact O-CB 3.43Å; L154-L158 VanDerWaalsContact O-CG 3.31Å; L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 2.82Å; L154-L226 HydrophobicContact CD2-CD1 3.59Å; L154-L226 HydrophobicContact CG-CD1 3.97Å
155I88.6Confident86Confident21 Ų2162.5 Ų62.511%0.10834%0.335CS..Hα-helixtrans-60.1-46.3175.3-73.5166.5000110.5Q151 V152 C157 L158 L159 L223 L226 L227 L230Q151-I155 WeakPolarHBondContact O-CB 3.28Å; Q151-I155 VanDerWaalsContact O-CG1 3.22Å; Q151-I155 WeakPolarHBondContact O-CG1 3.19Å; Q151-I155 PolarHBondContact O-N 3.41Å; V152-I155 PolarHBondContact O-N 3.27Å; I155-C157 PolarHBondContact O-N 3.27Å; I155-L158 PolarHBondContact O-N 3.34Å; I155-L159 WeakPolarHBondContact O-CB 3.3Å; I155-L159 PolarHBondContact O-N 2.8Å; I155-L223 HydrophobicContact CB-CD1 4.18Å; I155-L223 HydrophobicContact CG1-CD1 4.33Å; I155-L223 HydrophobicContact CG2-CD1 3.72Å; I155-L226 HydrophobicContact CG1-CB 4.17Å; I155-L227 HydrophobicContact CD1-CD1 4.08Å; I155-L227 HydrophobicContact CG2-CD1 4.39Å; I155-L230 HydrophobicContact CD1-CB 4.37Å; I155-L230 HydrophobicContact CD1-CD2 3.78Å
156S89.4Confident87.5Confident73 Ų7354.6 Ų54.651%0.5129%0.294SS..Hα-helixtrans-61.7-42.6176.9-179.10000112V152 I153 L159 V160V152-S156 WeakPolarHBondContact O-CB 3.22Å; V152-S156 PolarHBondContact O-N 2.83Å; I153-S156 PolarHBondContact O-N 3.47Å; S156-L159 PolarHBondContact O-N 3.3Å; S156-V160 WeakPolarHBondContact O-CG2 3.21Å; S156-V160 PolarHBondContact O-N 3.22Å
157C90.9Very high88.5Confident65 Ų6551.3 Ų51.344%0.43928%0.277SS..Hα-helixtrans-63.4-46.8176.5-175.20000112.3I153 L154 I155 L159 V160 L161I153-C157 WeakPolarHBondContact O-CB 3.49Å; I153-C157 PolarHBondContact O-N 2.79Å; L154-C157 PolarHBondContact O-N 3.03Å; I155-C157 PolarHBondContact O-N 3.27Å; C157-L159 VanDerWaalsContact C-N 3.3Å; C157-L159 PolarHBondContact O-N 2.74Å; C157-V160 PolarHBondContact O-N 3.13Å; C157-L161 WeakPolarHBondContact O-CG 3.47Å; C157-L161 PolarHBondContact O-N 3.14Å
158L90.6Very high89Confident20 Ų2048.3 Ų48.311%0.10526%0.257CS..Hα-helixtrans-62.5-37.5177.8-74.1169.6000111.9L154 I155 L161 S162 V219 T222 L223 L226L154-L158 HydrophobicContact CD1-CD1 4.38Å; L154-L158 HydrophobicContact CD1-CG 4.42Å; L154-L158 HydrophobicContact CG-CD1 4.07Å; L154-L158 WeakPolarHBondContact O-CB 3.43Å; L154-L158 VanDerWaalsContact O-CG 3.31Å; L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 2.82Å; I155-L158 PolarHBondContact O-N 3.34Å; L158-L161 PolarHBondContact O-N 2.92Å; L158-S162 WeakPolarHBondContact O-CB 3.49Å; L158-S162 PolarHBondContact O-N 2.66Å; L158-V219 HydrophobicContact CB-CG1 4.12Å; L158-V219 HydrophobicContact CD2-CG1 4Å; L158-V219 HydrophobicContact CD2-CG2 4.47Å; L158-V219 WeakPolarHBondContact O-CG1 3.38Å; L158-T222 HydrophobicContact CD1-CG2 3.99Å; L158-L223 HydrophobicContact CB-CB 4.44Å; L158-L223 HydrophobicContact CB-CD1 4.09Å; L158-L226 HydrophobicContact CD1-CD1 3.5Å
159L90.4Very high89.5Confident43 Ų4344.6 Ų44.623%0.22524%0.239CC..Hα-helixtrans-65.9-38.4177.1-173.3157000112I155 S156 C157 G163 L223 F248I155-L159 WeakPolarHBondContact O-CB 3.3Å; I155-L159 PolarHBondContact O-N 2.8Å; S156-L159 PolarHBondContact O-N 3.3Å; C157-L159 VanDerWaalsContact C-N 3.3Å; C157-L159 PolarHBondContact O-N 2.74Å; L159-G163 PolarHBondContact O-N 2.86Å; L159-G163 VanDerWaalsContact O-N 3.08Å; L159-L223 HydrophobicContact CB-CD2 4.23Å; L159-F248 HydrophobicContact CD1-CB 4.42Å; L159-F248 HydrophobicContact CD2-CB 3.43Å; L159-F248 VanDerWaalsContact CD2-CB 3.43Å; L159-F248 HydrophobicContact CD2-CG 4.33Å; L159-F248 HydrophobicContact CG-CB 4.24Å
160V90.7Very high89.6Confident97 Ų9740 Ų4059%0.58823%0.227SC*.Hα-helixtrans-67.5-41.3172.5174.80000111.7S156 C157 G163 M164S156-V160 WeakPolarHBondContact O-CG2 3.21Å; S156-V160 PolarHBondContact O-N 3.22Å; C157-V160 PolarHBondContact O-N 3.13Å; V160-G163 PolarHBondContact O-N 3.06Å; V160-M164 WeakPolarHBondContact O-CB 3.25Å; V160-M164 PolarHBondContact O-N 3.04Å
161L90.3Very high89.8Confident45 Ų4537.3 Ų37.324%0.23621%0.214CC..Hα-helixtrans-64.4-40.8177-74.5172.6000112.2C157 L158 M164 F165 V219 F275C157-L161 WeakPolarHBondContact O-CG 3.47Å; C157-L161 PolarHBondContact O-N 3.14Å; L158-L161 PolarHBondContact O-N 2.92Å; L161-M164 HydrophobicContact CD2-CE 3.58Å; L161-M164 PolarHBondContact O-N 2.88Å; L161-F165 HydrophobicContact CB-CE2 4.49Å; L161-F165 VanDerWaalsContact O-CD2 3.23Å; L161-F165 WeakPolarHBondContact O-CD2 3.3Å; L161-F165 WeakPolarHBondContact O-CG 3.35Å; L161-F165 PolarHBondContact O-N 2.81Å; L161-V219 HydrophobicContact CB-CG1 4.35Å; L161-F275 HydrophobicContact CD2-CE2 4.33Å; L161-F275 HydrophobicContact CD2-CZ 4.43Å
162S91.6Very high90Very high0 Ų037.2 Ų37.20%021%0.213CC..Hα-helixtrans-55.9-51.5172.2170.80000110.2L158 M164 F165 S166 N220L158-S162 WeakPolarHBondContact O-CB 3.49Å; L158-S162 PolarHBondContact O-N 2.66Å; S162-M164 VanDerWaalsContact C-N 3.34Å; S162-M164 PolarHBondContact O-N 3.06Å; S162-F165 PolarHBondContact O-N 3.28Å; S162-S166 PolarHBondContact O-N 2.88Å; S162-N220 WeakPolarHBondContact CB-OD1 3.43Å; S162-N220 PolarHBondContact OG-OD1 3.45Å
163G91.7Very high89.9Confident3 Ų335.1 Ų35.13%0.03120%0.199CC..Hα-helixtrans-53.6-48.1175.400000114.1L159 V160 G167 G249 P253L159-G163 PolarHBondContact O-N 2.86Å; L159-G163 VanDerWaalsContact O-N 3.08Å; V160-G163 PolarHBondContact O-N 3.06Å; G163-G167 PolarHBondContact O-N 3Å; G163-G249 WeakPolarHBondContact CA-O 3.22Å; G163-P253 VanDerWaalsContact CA-CG 3.45Å; G163-P253 WeakPolarHBondContact O-CB 3.38Å
164M90.4Very high89.6Confident37 Ų3733.3 Ų33.318%0.18220%0.2CC..Hα-helixtrans-63.8-42.7179.4-179.4-173.668.100112.2V160 L161 S162 L168 T268 V271V160-M164 WeakPolarHBondContact O-CB 3.25Å; V160-M164 PolarHBondContact O-N 3.04Å; L161-M164 HydrophobicContact CD2-CE 3.58Å; L161-M164 PolarHBondContact O-N 2.88Å; S162-M164 VanDerWaalsContact C-N 3.34Å; S162-M164 PolarHBondContact O-N 3.06Å; M164-L168 HydrophobicContact CG-CD1 3.7Å; M164-L168 HydrophobicContact CG-CG 4.3Å; M164-L168 VanDerWaalsContact O-CB 3.24Å; M164-L168 WeakPolarHBondContact O-CB 3.35Å; M164-L168 WeakPolarHBondContact O-CG 3.26Å; M164-L168 PolarHBondContact O-N 2.99Å; M164-T268 HydrophobicContact CG-CG2 4.42Å; M164-T268 HydrophobicContact SD-CG2 4.22Å; M164-V271 HydrophobicContact CE-CB 4.41Å; M164-V271 HydrophobicContact CE-CG1 3.4Å; M164-V271 HydrophobicContact SD-CB 4.4Å; M164-V271 HydrophobicContact SD-CG1 3.93Å
165F91.6Very high89.3Confident2 Ų231.5 Ų31.51%0.00919%0.191CC..Hα-helixtrans-67.3-44.8179-68-42.8000112.9L161 S162 L168 N169 L212 N216 V219 F275L161-F165 HydrophobicContact CB-CE2 4.49Å; L161-F165 VanDerWaalsContact O-CD2 3.23Å; L161-F165 WeakPolarHBondContact O-CD2 3.3Å; L161-F165 WeakPolarHBondContact O-CG 3.35Å; L161-F165 PolarHBondContact O-N 2.81Å; S162-F165 PolarHBondContact O-N 3.28Å; F165-L168 PolarHBondContact O-N 3.19Å; F165-N169 WeakPolarHBondContact O-CB 3.45Å; F165-N169 PolarHBondContact O-N 2.8Å; F165-L212 HydrophobicContact CD1-CD2 3.78Å; F165-L212 HydrophobicContact CE1-CD2 4.41Å; F165-N216 HydrophobicContact CB-CB 4.11Å; F165-V219 HydrophobicContact CD2-CG2 4.08Å; F165-V219 HydrophobicContact CE2-CG2 3.69Å; F165-F275 HydrophobicContact CE1-CB 4Å; F165-F275 HydrophobicContact CE1-CD1 4.18Å; F165-F275 AromaticContact CE1-CD2 3.54Å; F165-F275 HydrophobicContact CE1-CD2 3.54Å; F165-F275 HydrophobicContact CE1-CE2 4.02Å; F165-F275 AromaticContact CE1-CG 3.63Å; F165-F275 HydrophobicContact CE1-CG 3.63Å; F165-F275 HydrophobicContact CE2-CD1 4.36Å; F165-F275 HydrophobicContact CE2-CE1 4.22Å; F165-F275 HydrophobicContact CE2-CZ 4.31Å; F165-F275 HydrophobicContact CZ-CB 4.17Å; F165-F275 AromaticContact CZ-CD1 3.49Å; F165-F275 HydrophobicContact CZ-CD1 3.49Å; F165-F275 VanDerWaalsContact CZ-CD1 3.49Å; F165-F275 AromaticContact CZ-CD2 3.37Å; F165-F275 HydrophobicContact CZ-CD2 3.37Å; F165-F275 AromaticContact CZ-CE1 3.58Å; F165-F275 HydrophobicContact CZ-CE1 3.58Å; F165-F275 AromaticContact CZ-CE2 3.47Å; F165-F275 HydrophobicContact CZ-CE2 3.47Å; F165-F275 VanDerWaalsContact CZ-CE2 3.47Å; F165-F275 AromaticContact CZ-CG 3.38Å; F165-F275 HydrophobicContact CZ-CG 3.38Å; F165-F275 AromaticContact CZ-CZ 3.58Å; F165-F275 HydrophobicContact CZ-CZ 3.58Å
166S91.1Very high89Confident5 Ų532 Ų324%0.03519%0.193CC..Hα-helixtrans-63.1-44.9177.9-169.30000111.3S162 N169 L170 G249 Q254S162-S166 PolarHBondContact O-N 2.88Å; S166-N169 PolarHBondContact O-N 2.88Å; S166-L170 PolarHBondContact O-N 3.19Å; S166-G249 WeakPolarHBondContact CB-O 3.32Å; S166-Q254 PolarHBondContact OG-NE2 3.35Å
167G91.5Very high88.7Confident0 Ų030 Ų300%018%0.179CC..Hα-helixtrans-64.2-45.6176.700000113.4G163 N169 L170 G171 C257G163-G167 PolarHBondContact O-N 3Å; G167-N169 VanDerWaalsContact C-N 3.32Å; G167-N169 PolarHBondContact O-N 3.33Å; G167-L170 PolarHBondContact O-N 2.9Å; G167-G171 PolarHBondContact O-N 3.06Å; G167-C257 VanDerWaalsContact C-SG 3.52Å; G167-C257 VanDerWaalsContact CA-SG 3.57Å; G167-C257 WeakPolarHBondContact O-CB 3.13Å
168L90.4Very high87.9Confident2 Ų229.9 Ų29.91%0.0117%0.172CC..Hα-helixtrans-67.3-31.7178.2-73173.1000113M164 F165 G171 L172 L212 V264 T268M164-L168 HydrophobicContact CG-CD1 3.7Å; M164-L168 HydrophobicContact CG-CG 4.3Å; M164-L168 VanDerWaalsContact O-CB 3.24Å; M164-L168 WeakPolarHBondContact O-CB 3.35Å; M164-L168 WeakPolarHBondContact O-CG 3.26Å; M164-L168 PolarHBondContact O-N 2.99Å; F165-L168 PolarHBondContact O-N 3.19Å; L168-G171 PolarHBondContact O-N 2.65Å; L168-L172 HydrophobicContact CB-CD1 4.34Å; L168-L172 HydrophobicContact CD2-CD1 4.27Å; L168-L172 HydrophobicContact CD2-CG 4.28Å; L168-L172 VanDerWaalsContact O-CB 3.22Å; L168-L172 WeakPolarHBondContact O-CB 3.23Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 2.92Å; L168-L212 HydrophobicContact CB-CD1 4.18Å; L168-V264 HydrophobicContact CD2-CG1 4.16Å; L168-T268 VanDerWaalsContact CD2-OG1 3.23Å; L168-T268 WeakPolarHBondContact CD2-OG1 3.26Å
169N90.1Very high87.4Confident36 Ų3633.6 Ų33.619%0.19319%0.189CC..Hα-helixtrans-60.1-51.3175.7-172.243.4000110.5F165 S166 G167 M173 L209 L212F165-N169 WeakPolarHBondContact O-CB 3.45Å; F165-N169 PolarHBondContact O-N 2.8Å; S166-N169 PolarHBondContact O-N 2.88Å; G167-N169 VanDerWaalsContact C-N 3.32Å; G167-N169 PolarHBondContact O-N 3.33Å; N169-M173 WeakPolarHBondContact O-CB 3.45Å; N169-M173 WeakPolarHBondContact O-CG 3.46Å; N169-M173 PolarHBondContact O-N 2.89Å; N169-L209 VanDerWaalsContact OD1-CD1 3.29Å; N169-L209 WeakPolarHBondContact OD1-CD1 2.95Å; N169-L212 HydrophobicContact CB-CB 4.44Å; N169-L212 HydrophobicContact CB-CD1 4.47Å
170L88.6Confident87.1Confident76 Ų7631.6 Ų31.640%0.39818%0.179SC..Hα-helixtrans-66.3-48.2175.5-177.365.1000111.6S166 G167 A174 Q254S166-L170 PolarHBondContact O-N 3.19Å; G167-L170 PolarHBondContact O-N 2.9Å; L170-A174 WeakPolarHBondContact O-CB 3.48Å; L170-A174 PolarHBondContact O-N 3.46Å; L170-Q254 HydrophobicContact CB-CG 4.45Å; L170-Q254 HydrophobicContact CD2-CB 3.91Å; L170-Q254 HydrophobicContact CD2-CG 4.32Å
171G88.2Confident86.7Confident4 Ų433.2 Ų33.24%0.04117%0.174CC..Hα-helixtrans-62.6-49.4-173.900000113.2G167 L168 L175G167-G171 PolarHBondContact O-N 3.06Å; L168-G171 PolarHBondContact O-N 2.65Å; G171-L175 WeakPolarHBondContact O-CD1 3.49Å
172L87.1Confident86.4Confident2 Ų235.2 Ų35.21%0.0119%0.185CC..Hα-helixtrans-74.4-34.4-179.2-66.2177.1000112.7L168 L175 I198 R202 L208 L212 T272L168-L172 HydrophobicContact CB-CD1 4.34Å; L168-L172 HydrophobicContact CD2-CD1 4.27Å; L168-L172 HydrophobicContact CD2-CG 4.28Å; L168-L172 VanDerWaalsContact O-CB 3.22Å; L168-L172 WeakPolarHBondContact O-CB 3.23Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 2.92Å; L172-L175 HydrophobicContact CD2-CD1 4.49Å; L172-L175 PolarHBondContact O-N 3.32Å; L172-I198 HydrophobicContact CD2-CD1 4.47Å; L172-I198 HydrophobicContact CD2-CG2 3.86Å; L172-R202 VanDerWaalsContact O-CD 3.27Å; L172-R202 WeakPolarHBondContact O-CD 3.43Å; L172-R202 PolarHBondContact O-NE 2.99Å; L172-L208 HydrophobicContact CB-CD2 3.98Å; L172-L208 HydrophobicContact CD1-CD1 4.27Å; L172-L208 HydrophobicContact CD1-CD2 3.92Å; L172-L212 HydrophobicContact CD1-CD1 4.42Å; L172-T272 HydrophobicContact CD1-CG2 4.44Å
173M85.7Confident86Confident36 Ų3637.3 Ų37.318%0.17720%0.197CC..Hα-helixtrans-73.2-31.3178.2-67.1-63.4143.800112.4N169 L175 R202 G205 L208 L209N169-M173 WeakPolarHBondContact O-CB 3.45Å; N169-M173 WeakPolarHBondContact O-CG 3.46Å; N169-M173 PolarHBondContact O-N 2.89Å; M173-L175 PolarHBondContact O-N 2.81Å; M173-R202 PolarHBondContact O-NH2 2.96Å; M173-G205 WeakPolarHBondContact CE-O 3.38Å; M173-L208 HydrophobicContact CE-CB 3.78Å; M173-L208 HydrophobicContact CE-CD2 3.58Å; M173-L208 HydrophobicContact CE-CG 3.56Å; M173-L209 HydrophobicContact CE-CB 3.89Å; M173-L209 HydrophobicContact CG-CD1 4.38Å; M173-L209 HydrophobicContact SD-CB 4.34Å
174A84.2Confident85.7Confident69 Ų6939.1 Ų39.157%0.5721%0.205SC*.Hα-helixtrans-65.8-2417500000113.5L170 D176L170-A174 WeakPolarHBondContact O-CB 3.48Å; L170-A174 PolarHBondContact O-N 3.46Å; A174-D176 PolarHBondContact O-N 2.94Å
175L83.2Confident85.2Confident26 Ų2641.4 Ų41.414%0.13623%0.225CC..SBendtrans-78.9114.1174.4-69.6130.7000110.2G171 L172 M173 L180 R202 L262G171-L175 WeakPolarHBondContact O-CD1 3.49Å; L172-L175 HydrophobicContact CD2-CD1 4.49Å; L172-L175 PolarHBondContact O-N 3.32Å; M173-L175 PolarHBondContact O-N 2.81Å; L175-L180 HydrophobicContact CD2-CD1 4.15Å; L175-R202 PolarHBondContact O-NE 3.4Å; L175-L262 HydrophobicContact CD2-CB 4.26Å; L175-L262 HydrophobicContact CD2-CD1 3.84Å
176D82.1Confident84.6Confident31 Ų3146.5 Ų46.517%0.16626%0.259CS..  trans-70132.6171.6-171.6-29000109.5A174 M178 E179 L180A174-D176 PolarHBondContact O-N 2.94Å; D176-M178 PolarHBondContact O-N 2.73Å; D176-M178 VanDerWaalsContact O-N 3.1Å; D176-M178 PolarHBondContact OD1-N 3.37Å; D176-E179 HydrophobicContact CB-CB 4.21Å; D176-E179 HydrophobicContact CB-CG 4.07Å; D176-E179 PolarHBondContact O-N 2.91Å; D176-E179 VanDerWaalsContact O-N 3.15Å; D176-L180 PolarHBondContact O-N 3.09Å
177P81.9Confident84.1Confident32 Ų3247 Ų4721%0.20827%0.265CS..Hα-helixtrans-45.1-35.5168.8-28.831.7000114.9R181 R202P177-R181 PolarHBondContact O-N 3.42Å; P177-R202 HydrophobicContact CG-CG 4.17Å
178M75.4Confident83.9Confident61 Ų6150.8 Ų50.830%0.329%0.289SS..Hα-helixtrans-73.3-46178.4-74.2-55.8-58.300112.7D176 L180 R181 I182 Y302D176-M178 PolarHBondContact O-N 2.73Å; D176-M178 VanDerWaalsContact O-N 3.1Å; D176-M178 PolarHBondContact OD1-N 3.37Å; M178-L180 PolarHBondContact O-N 3.38Å; M178-R181 PolarHBondContact O-N 3.44Å; M178-R181 VanDerWaalsContact O-N 3.11Å; M178-I182 WeakPolarHBondContact O-CG1 3.24Å; M178-I182 PolarHBondContact O-N 2.9Å; M178-Y302 HydrophobicContact CB-CE2 4.24Å
179E80.2Confident83.7Confident98 Ų9856.6 Ų56.646%0.45832%0.32SS..Hα-helixtrans-56.9-39.7172.6-73.6-175.2167.300110.8D176 R181 I182 V183D176-E179 HydrophobicContact CB-CB 4.21Å; D176-E179 HydrophobicContact CB-CG 4.07Å; D176-E179 PolarHBondContact O-N 2.91Å; D176-E179 VanDerWaalsContact O-N 3.15Å; E179-R181 VanDerWaalsContact C-N 3.34Å; E179-R181 PolarHBondContact O-N 3.34Å; E179-I182 PolarHBondContact O-N 3.32Å; E179-V183 VanDerWaalsContact O-CG2 3.31Å; E179-V183 WeakPolarHBondContact O-CG2 3.14Å; E179-V183 PolarHBondContact O-N 2.96Å
180L83.1Confident83.5Confident1 Ų162.4 Ų62.41%0.00534%0.343CS..Hα-helixtrans-61.7-40.8177.6-157.267.7000112.1L175 D176 M178 V183 Q184 A195 I198 E199 L262L175-L180 HydrophobicContact CD2-CD1 4.15Å; D176-L180 PolarHBondContact O-N 3.09Å; M178-L180 PolarHBondContact O-N 3.38Å; L180-V183 PolarHBondContact O-N 3.27Å; L180-Q184 VanDerWaalsContact O-CG 3.28Å; L180-Q184 WeakPolarHBondContact O-CG 3.3Å; L180-Q184 PolarHBondContact O-N 3.14Å; L180-A195 HydrophobicContact CD1-CB 3.6Å; L180-A195 HydrophobicContact CG-CB 3.92Å; L180-I198 HydrophobicContact CD2-CB 4.26Å; L180-I198 HydrophobicContact CD2-CG2 4.16Å; L180-E199 VanDerWaalsContact CD2-CA 3.44Å; L180-E199 HydrophobicContact CD2-CB 3.74Å; L180-E199 HydrophobicContact CD2-CG 4.43Å; L180-L262 HydrophobicContact CD1-CD1 3.62Å
181R83.2Confident83.4Confident131 Ų13162.5 Ų62.549%0.49434%0.341SS..Hα-helixtrans-67.5-36.6174.3-74.5-176.1-173.8163.85.7112.9P177 M178 E179 Q184 S185 E199P177-R181 PolarHBondContact O-N 3.42Å; M178-R181 PolarHBondContact O-N 3.44Å; M178-R181 VanDerWaalsContact O-N 3.11Å; E179-R181 VanDerWaalsContact C-N 3.34Å; E179-R181 PolarHBondContact O-N 3.34Å; R181-Q184 PolarHBondContact O-N 3.28Å; R181-S185 PolarHBondContact O-N 2.86Å; R181-S185 PolarHBondContact O-OG 3.44Å; R181-S185 VanDerWaalsContact O-OG 3.1Å; R181-E199 IonicContact NE-OE1 3.74Å; R181-E199 PolarHBondContact NE-OE1 3.34Å
182I82.2Confident83.4Confident88 Ų8865.5 Ų65.545%0.45135%0.353SS..Hα-helixtrans-63.2-48.4174.5-65.5166.9000109.5M178 E179 Q184 S185 C186M178-I182 WeakPolarHBondContact O-CG1 3.24Å; M178-I182 PolarHBondContact O-N 2.9Å; E179-I182 PolarHBondContact O-N 3.32Å; I182-Q184 VanDerWaalsContact C-N 3.29Å; I182-Q184 PolarHBondContact O-N 2.93Å; I182-S185 PolarHBondContact O-N 2.92Å; I182-C186 PolarHBondContact O-N 2.84Å
183V84.3Confident83.4Confident44 Ų4472.3 Ų72.327%0.26738%0.383SS..Hα-helixtrans-62.6-34.4177.4174.20000111.8E179 L180 S185 G187 E191 A195 L262E179-V183 VanDerWaalsContact O-CG2 3.31Å; E179-V183 WeakPolarHBondContact O-CG2 3.14Å; E179-V183 PolarHBondContact O-N 2.96Å; L180-V183 PolarHBondContact O-N 3.27Å; V183-S185 VanDerWaalsContact C-N 3.26Å; V183-S185 PolarHBondContact O-N 3.26Å; V183-G187 VanDerWaalsContact O-CA 3.27Å; V183-G187 WeakPolarHBondContact O-CA 3.26Å; V183-G187 PolarHBondContact O-N 3.44Å; V183-E191 HydrophobicContact CG1-CB 3.89Å; V183-A195 HydrophobicContact CG1-CB 4.22Å; V183-L262 HydrophobicContact CG1-CD2 4.12Å
184Q84.8Confident83.6Confident40 Ų4073.7 Ų73.719%0.18739%0.387CS..Hα-helixtrans-63.9-29.3172.9-75.8-179.419.900113.7L180 R181 I182 K192 A195 E199L180-Q184 VanDerWaalsContact O-CG 3.28Å; L180-Q184 WeakPolarHBondContact O-CG 3.3Å; L180-Q184 PolarHBondContact O-N 3.14Å; R181-Q184 PolarHBondContact O-N 3.28Å; I182-Q184 VanDerWaalsContact C-N 3.29Å; I182-Q184 PolarHBondContact O-N 2.93Å; Q184-K192 VanDerWaalsContact O-CE 3.27Å; Q184-K192 WeakPolarHBondContact O-CE 3.5Å; Q184-K192 WeakPolarHBondContact O-CG 3.49Å; Q184-A195 HydrophobicContact CG-CB 3.51Å; Q184-A195 PolarHBondContact NE2-O 3.49Å; Q184-E199 PolarHBondContact NE2-OE2 3.44Å; Q184-E199 PolarHBondContact OE1-OE2 3.46Å
185S81.4Confident83.8Confident86 Ų8670.4 Ų70.460%0.60136%0.359SS*.Hα-helixtrans-88.8-46.5-178.4-55.30000111.2R181 I182 V183 K192R181-S185 PolarHBondContact O-N 2.86Å; R181-S185 PolarHBondContact O-OG 3.44Å; R181-S185 VanDerWaalsContact O-OG 3.1Å; I182-S185 PolarHBondContact O-N 2.92Å; V183-S185 VanDerWaalsContact C-N 3.26Å; V183-S185 PolarHBondContact O-N 3.26Å; S185-K192 WeakPolarHBondContact O-CE 3.4Å; S185-K192 PolarHBondContact O-NZ 2.88Å; S185-K192 VanDerWaalsContact O-NZ 3.1Å
186C77.2Confident84.1Confident108 Ų10878 Ų7873%0.7339%0.386SS*.Hα-helixtrans-107.4-15.2-168.6-57.90000114.6I182I182-C186 PolarHBondContact O-N 2.84Å
187G81.1Confident84.3Confident16 Ų1682 Ų8217%0.16540%0.402CS..SBendtrans-72.4175.4-175.300000114.9V183 K192V183-G187 VanDerWaalsContact O-CA 3.27Å; V183-G187 WeakPolarHBondContact O-CA 3.26Å; V183-G187 PolarHBondContact O-N 3.44Å; G187-K192 VanDerWaalsContact O-CD 3.26Å; G187-K192 WeakPolarHBondContact O-CD 3.47Å; G187-K192 WeakPolarHBondContact O-CE 3.5Å; G187-K192 PolarHBondContact O-NZ 2.82Å
188T86.6Confident84.7Confident80 Ų8080.6 Ų80.649%0.49139%0.393SS..  trans-66.8158.9174.262.40000111.8K190 E191 K192T188-K190 PolarHBondContact O-N 2.96Å; T188-E191 WeakPolarHBondContact CB-OE2 3.42Å; T188-E191 WeakPolarHBondContact CG2-OE2 3.38Å; T188-E191 PolarHBondContact N-OE2 3.17Å; T188-E191 PolarHBondContact O-N 3.22Å; T188-E191 WeakPolarHBondContact OG1-CG 3.45Å; T188-E191 PolarHBondContact OG1-N 3.05Å; T188-E191 PolarHBondContact OG1-OE2 2.74Å; T188-K192 WeakPolarHBondContact O-CB 3.19Å; T188-K192 WeakPolarHBondContact O-CG 3.44Å; T188-K192 PolarHBondContact O-N 3.28Å
189D87.3Confident85.3Confident124 Ų12480.2 Ų80.266%0.66339%0.39SS*.Hα-helixtrans-56.1-29.7-178.3-71.9-43.3000114.1K193D189-K193 WeakPolarHBondContact O-CG 3.5Å; D189-K193 PolarHBondContact O-N 3.02Å
190K85.4Confident85.6Confident158 Ų15879.1 Ų79.169%0.68739%0.392SS*.Hα-helixtrans-74.2-47.2175.8-67.1-178.9-177.2174.40111.1T188 K193 Y194T188-K190 PolarHBondContact O-N 2.96Å; K190-K193 PolarHBondContact O-N 2.97Å; K190-Y194 WeakPolarHBondContact O-CD2 3.06Å; K190-Y194 PolarHBondContact O-N 3.13Å
191E86.8Confident85.7Confident77 Ų7779.8 Ų79.836%0.3640%0.395SS..Hα-helixtrans-64.2-40.9178.8-68.9166.2151.600111.8V183 T188 K193 Y194 A195 L262V183-E191 HydrophobicContact CG1-CB 3.89Å; T188-E191 WeakPolarHBondContact CB-OE2 3.42Å; T188-E191 WeakPolarHBondContact CG2-OE2 3.38Å; T188-E191 PolarHBondContact N-OE2 3.17Å; T188-E191 PolarHBondContact O-N 3.22Å; T188-E191 WeakPolarHBondContact OG1-CG 3.45Å; T188-E191 PolarHBondContact OG1-N 3.05Å; T188-E191 PolarHBondContact OG1-OE2 2.74Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 3.16Å; E191-Y194 PolarHBondContact O-N 3.4Å; E191-Y194 VanDerWaalsContact O-N 3.15Å; E191-A195 VanDerWaalsContact O-CB 3.29Å; E191-A195 WeakPolarHBondContact O-CB 3.36Å; E191-A195 PolarHBondContact O-N 2.97Å; E191-L262 HydrophobicContact CB-CD2 3.96Å; E191-L262 HydrophobicContact CG-CD2 3.98Å
192K88.3Confident85.9Confident67 Ų6774.5 Ų74.529%0.29138%0.375SS..Hα-helixtrans-56.1-45.1174.3-73.6177.1162153.40112.2Q184 S185 G187 T188 R196Q184-K192 VanDerWaalsContact O-CE 3.27Å; Q184-K192 WeakPolarHBondContact O-CE 3.5Å; Q184-K192 WeakPolarHBondContact O-CG 3.49Å; S185-K192 WeakPolarHBondContact O-CE 3.4Å; S185-K192 PolarHBondContact O-NZ 2.88Å; S185-K192 VanDerWaalsContact O-NZ 3.1Å; G187-K192 VanDerWaalsContact O-CD 3.26Å; G187-K192 WeakPolarHBondContact O-CD 3.47Å; G187-K192 WeakPolarHBondContact O-CE 3.5Å; G187-K192 PolarHBondContact O-NZ 2.82Å; T188-K192 WeakPolarHBondContact O-CB 3.19Å; T188-K192 WeakPolarHBondContact O-CG 3.44Å; T188-K192 PolarHBondContact O-N 3.28Å; K192-R196 WeakPolarHBondContact O-CB 3.18Å; K192-R196 PolarHBondContact O-N 3.18Å
193K87.6Confident85.9Confident146 Ų14674.7 Ų74.764%0.63538%0.384SS*.Hα-helixtrans-65.7-40.1177-74174-173.8175.30112.1D189 K190 E191 K197D189-K193 WeakPolarHBondContact O-CG 3.5Å; D189-K193 PolarHBondContact O-N 3.02Å; K190-K193 PolarHBondContact O-N 2.97Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 3.16Å; K193-K197 WeakPolarHBondContact O-CG 3.34Å; K193-K197 PolarHBondContact O-N 3.1Å
194Y89.6Confident85.9Confident64 Ų6479.1 Ų79.125%0.25140%0.4SS..Hα-helixtrans-66.8-47.2177.1-68.1-24.1000112K190 E191 R196 K197 I198 A263 A266K190-Y194 WeakPolarHBondContact O-CD2 3.06Å; K190-Y194 PolarHBondContact O-N 3.13Å; E191-Y194 PolarHBondContact O-N 3.4Å; E191-Y194 VanDerWaalsContact O-N 3.15Å; Y194-R196 VanDerWaalsContact C-N 3.35Å; Y194-R196 PolarHBondContact O-N 2.91Å; Y194-K197 PolarHBondContact O-N 2.96Å; Y194-K197 VanDerWaalsContact O-N 3.11Å; Y194-I198 WeakPolarHBondContact O-CG1 3.39Å; Y194-I198 PolarHBondContact O-N 2.91Å; Y194-I198 VanDerWaalsContact O-N 3.17Å; Y194-A263 HydrophobicContact CE2-CB 4.37Å; Y194-A266 VanDerWaalsContact CB-CB 3.46Å; Y194-A266 HydrophobicContact CD1-CB 3.28Å; Y194-A266 HydrophobicContact CD2-CB 4.42Å; Y194-A266 HydrophobicContact CE1-CB 4.09Å; Y194-A266 HydrophobicContact CG-CB 3.47Å; Y194-A266 VanDerWaalsContact CG-CB 3.47Å
195A88.8Confident86Confident0 Ų077.5 Ų77.50%039%0.394CS..Hα-helixtrans-61-4217900000112.1L180 V183 Q184 E191 K197 I198 E199 L262L180-A195 HydrophobicContact CD1-CB 3.6Å; L180-A195 HydrophobicContact CG-CB 3.92Å; V183-A195 HydrophobicContact CG1-CB 4.22Å; Q184-A195 HydrophobicContact CG-CB 3.51Å; Q184-A195 PolarHBondContact NE2-O 3.49Å; E191-A195 VanDerWaalsContact O-CB 3.29Å; E191-A195 WeakPolarHBondContact O-CB 3.36Å; E191-A195 PolarHBondContact O-N 2.97Å; A195-K197 VanDerWaalsContact C-N 3.3Å; A195-K197 PolarHBondContact O-N 3.01Å; A195-I198 PolarHBondContact O-N 3.46Å; A195-E199 PolarHBondContact O-N 3.21Å; A195-L262 HydrophobicContact CB-CD1 4.26Å
196R88.7Confident86.2Confident187 Ų18774 Ų7471%0.70637%0.368SS*.Hα-helixtrans-64-31.4175.9-170.5179-75.2178.3-2.7113.3K192 Y194K192-R196 WeakPolarHBondContact O-CB 3.18Å; K192-R196 PolarHBondContact O-N 3.18Å; Y194-R196 VanDerWaalsContact C-N 3.35Å; Y194-R196 PolarHBondContact O-N 2.91Å
197K87.5Confident86.8Confident115 Ų11570.7 Ų70.750%0.534%0.341SS..Hα-helixtrans-73.7-34.9176.9-76.7179.3178.5-176.90112.7K193 Y194 A195K193-K197 WeakPolarHBondContact O-CG 3.34Å; K193-K197 PolarHBondContact O-N 3.1Å; Y194-K197 PolarHBondContact O-N 2.96Å; Y194-K197 VanDerWaalsContact O-N 3.11Å; A195-K197 VanDerWaalsContact C-N 3.3Å; A195-K197 PolarHBondContact O-N 3.01Å
198I89.4Confident87.2Confident2 Ų270 Ų701%0.0133%0.333CS..Hα-helixtrans-84.9-34.7-174.1-64.5164.3000112.1L172 L180 Y194 A195 P200 I201 R202 L262 A266 I269L172-I198 HydrophobicContact CD2-CD1 4.47Å; L172-I198 HydrophobicContact CD2-CG2 3.86Å; L180-I198 HydrophobicContact CD2-CB 4.26Å; L180-I198 HydrophobicContact CD2-CG2 4.16Å; Y194-I198 WeakPolarHBondContact O-CG1 3.39Å; Y194-I198 PolarHBondContact O-N 2.91Å; Y194-I198 VanDerWaalsContact O-N 3.17Å; A195-I198 PolarHBondContact O-N 3.46Å; I198-P200 VanDerWaalsContact C-CD 3.5Å; I198-I201 PolarHBondContact O-N 2.65Å; I198-R202 HydrophobicContact CG2-CB 4.33Å; I198-R202 PolarHBondContact O-N 3.42Å; I198-L262 HydrophobicContact CD1-CD1 4.01Å; I198-L262 WeakPolarHBondContact CD1-O 3.43Å; I198-A266 HydrophobicContact CD1-CB 3.9Å; I198-A266 HydrophobicContact CG1-CB 4.22Å; I198-I269 HydrophobicContact CG1-CD1 4.29Å
199E87.8Confident87.3Confident52 Ų5268.2 Ų68.224%0.24332%0.321CS..Hα-helixtrans-46.4-51.7-174.7-176.2-176.8-161.800115.4L180 R181 Q184 A195 I201 R202 S203L180-E199 VanDerWaalsContact CD2-CA 3.44Å; L180-E199 HydrophobicContact CD2-CB 3.74Å; L180-E199 HydrophobicContact CD2-CG 4.43Å; R181-E199 IonicContact NE-OE1 3.74Å; R181-E199 PolarHBondContact NE-OE1 3.34Å; Q184-E199 PolarHBondContact NE2-OE2 3.44Å; Q184-E199 PolarHBondContact OE1-OE2 3.46Å; A195-E199 PolarHBondContact O-N 3.21Å; E199-I201 PolarHBondContact O-N 3.33Å; E199-I201 VanDerWaalsContact O-N 3.12Å; E199-R202 PolarHBondContact O-N 2.8Å; E199-S203 WeakPolarHBondContact O-CB 3.46Å; E199-S203 PolarHBondContact O-N 2.89Å
200P86.8Confident87.4Confident76 Ų7663 Ų6349%0.49429%0.294SS..Hα-helixtrans-65-22.2-176.125.8-36.1000113.3I198I198-P200 VanDerWaalsContact C-CD 3.5Å
201I85.8Confident87.7Confident14 Ų1455.6 Ų55.67%0.07226%0.262CS..Hα-helixtrans-86.8-44.5179-67.2165000110.1I198 E199 S203 K204 L208 I269 K273 M276I198-I201 PolarHBondContact O-N 2.65Å; E199-I201 PolarHBondContact O-N 3.33Å; E199-I201 VanDerWaalsContact O-N 3.12Å; I201-S203 VanDerWaalsContact C-N 3.26Å; I201-S203 PolarHBondContact O-N 3.3Å; I201-K204 PolarHBondContact O-N 3.15Å; I201-K204 VanDerWaalsContact O-N 3.1Å; I201-L208 HydrophobicContact CG2-CB 4.4Å; I201-L208 HydrophobicContact CG2-CD1 3.71Å; I201-L208 HydrophobicContact CG2-CD2 3.84Å; I201-L208 HydrophobicContact CG2-CG 4.19Å; I201-I269 HydrophobicContact CD1-CD1 3.24Å; I201-I269 HydrophobicContact CD1-CG1 3.63Å; I201-I269 HydrophobicContact CG1-CD1 4.5Å; I201-K273 HydrophobicContact CD1-CD 4.21Å; I201-K273 HydrophobicContact CD1-CG 3.76Å; I201-M276 HydrophobicContact CG2-CE 4.03Å; I201-M276 HydrophobicContact CG2-SD 3.72Å
202R86.9Confident87.9Confident20 Ų2052.1 Ų52.18%0.07525%0.246CC..Hα-helixtrans-66.5-28.8176.7-176.158.1179.9120.5-12.9112.6L172 M173 L175 P177 I198 E199 K204 G205 E297L172-R202 VanDerWaalsContact O-CD 3.27Å; L172-R202 WeakPolarHBondContact O-CD 3.43Å; L172-R202 PolarHBondContact O-NE 2.99Å; M173-R202 PolarHBondContact O-NH2 2.96Å; L175-R202 PolarHBondContact O-NE 3.4Å; P177-R202 HydrophobicContact CG-CG 4.17Å; I198-R202 HydrophobicContact CG2-CB 4.33Å; I198-R202 PolarHBondContact O-N 3.42Å; E199-R202 PolarHBondContact O-N 2.8Å; R202-K204 PolarHBondContact O-N 3.33Å; R202-K204 VanDerWaalsContact O-N 3.1Å; R202-G205 PolarHBondContact O-N 3.32Å; R202-G205 VanDerWaalsContact O-N 3.14Å; R202-E297 IonicContact CZ-OE2 3.32Å; R202-E297 IonicContact NH1-OE2 3.63Å; R202-E297 PolarHBondContact NH1-OE2 3.37Å
203S81.9Confident88Confident92 Ų9252.6 Ų52.664%0.64325%0.251SS*.THydrogen-bonded Turntrans-58.9-19.6172.4-178.40000113.4E199 I201E199-S203 WeakPolarHBondContact O-CB 3.46Å; E199-S203 PolarHBondContact O-N 2.89Å; I201-S203 VanDerWaalsContact C-N 3.26Å; I201-S203 PolarHBondContact O-N 3.3Å
204K84.6Confident88.2Confident138 Ų13848.7 Ų48.760%0.624%0.237SC*.THydrogen-bonded Turntrans-110.658.9171.8-60.9-178.5-177.9179.50109.7I201 R202 N206 Y207 L208I201-K204 PolarHBondContact O-N 3.15Å; I201-K204 VanDerWaalsContact O-N 3.1Å; R202-K204 PolarHBondContact O-N 3.33Å; R202-K204 VanDerWaalsContact O-N 3.1Å; K204-N206 PolarHBondContact O-N 3.11Å; K204-Y207 PolarHBondContact O-N 3.18Å; K204-Y207 VanDerWaalsContact O-N 3.12Å; K204-L208 PolarHBondContact O-N 2.71Å
205G85.8Confident88.3Confident5 Ų545.7 Ų45.75%0.05223%0.226CC..Hα-helixtrans-51.7-53.6-172.100000113.8M173 R202 Y207 L208 L209M173-G205 WeakPolarHBondContact CE-O 3.38Å; R202-G205 PolarHBondContact O-N 3.32Å; R202-G205 VanDerWaalsContact O-N 3.14Å; G205-Y207 VanDerWaalsContact C-N 3.28Å; G205-Y207 PolarHBondContact O-N 3.19Å; G205-L208 PolarHBondContact O-N 2.84Å; G205-L208 VanDerWaalsContact O-N 3.13Å; G205-L209 WeakPolarHBondContact O-CB 3.42Å; G205-L209 PolarHBondContact O-N 3.03Å
206N87Confident88.4Confident13 Ų1346.7 Ų46.77%0.0723%0.231CC..Hα-helixtrans-59.6-35.3179.3-70.7-29.2000113.4K204 C210 S287 D291K204-N206 PolarHBondContact O-N 3.11Å; N206-C210 WeakPolarHBondContact O-CB 3.39Å; N206-C210 PolarHBondContact O-N 2.91Å; N206-C210 PolarHBondContact O-SG 3.08Å; N206-S287 PolarHBondContact O-OG 3.33Å; N206-D291 WeakPolarHBondContact CB-OD1 3.47Å; N206-D291 PolarHBondContact ND2-OD1 3.12Å
207Y89.3Confident88.6Confident39 Ų3941.9 Ų41.915%0.15322%0.222CC..Hα-helixtrans-70.8-41.3175.6178.6-122.1000113.1K204 G205 S211 M276 F280 S283 F284 S287K204-Y207 PolarHBondContact O-N 3.18Å; K204-Y207 VanDerWaalsContact O-N 3.12Å; G205-Y207 VanDerWaalsContact C-N 3.28Å; G205-Y207 PolarHBondContact O-N 3.19Å; Y207-S211 WeakPolarHBondContact O-CB 3.47Å; Y207-S211 PolarHBondContact O-N 3.13Å; Y207-S211 VanDerWaalsContact O-N 3.1Å; Y207-S211 PolarHBondContact O-OG 2.67Å; Y207-M276 HydrophobicContact CD1-CE 3.24Å; Y207-M276 HydrophobicContact CE1-CB 4.27Å; Y207-M276 HydrophobicContact CE1-CE 3.23Å; Y207-M276 HydrophobicContact CG-CE 4.24Å; Y207-M276 PolarHBondContact OH-O 3.15Å; Y207-F280 HydrophobicContact CE2-CD2 4.46Å; Y207-S283 WeakPolarHBondContact CE2-OG 3.46Å; Y207-F284 HydrophobicContact CE2-CB 4.33Å; Y207-S287 WeakPolarHBondContact CA-OG 3.45Å
208L89.4Confident88.8Confident0 Ų041.1 Ų41.10%022%0.223CC..Hα-helixtrans-64.4-45.8174.3177.561.9000111.1L172 M173 I201 K204 G205 S211 L212 T272 M276L172-L208 HydrophobicContact CB-CD2 3.98Å; L172-L208 HydrophobicContact CD1-CD1 4.27Å; L172-L208 HydrophobicContact CD1-CD2 3.92Å; M173-L208 HydrophobicContact CE-CB 3.78Å; M173-L208 HydrophobicContact CE-CD2 3.58Å; M173-L208 HydrophobicContact CE-CG 3.56Å; I201-L208 HydrophobicContact CG2-CB 4.4Å; I201-L208 HydrophobicContact CG2-CD1 3.71Å; I201-L208 HydrophobicContact CG2-CD2 3.84Å; I201-L208 HydrophobicContact CG2-CG 4.19Å; K204-L208 PolarHBondContact O-N 2.71Å; G205-L208 PolarHBondContact O-N 2.84Å; G205-L208 VanDerWaalsContact O-N 3.13Å; L208-S211 PolarHBondContact O-N 3.5Å; L208-L212 HydrophobicContact CD1-CD1 3.74Å; L208-L212 HydrophobicContact CD1-CG 4.03Å; L208-L212 HydrophobicContact CG-CD1 4.04Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 3.08Å; L208-T272 HydrophobicContact CD1-CG2 3.69Å; L208-M276 HydrophobicContact CB-CE 4.29Å; L208-M276 HydrophobicContact CD1-CE 4.26Å; L208-M276 HydrophobicContact CD1-CG 4.47Å; L208-M276 HydrophobicContact CD1-SD 3.67Å
209L89Confident88.9Confident44 Ų4441.6 Ų41.623%0.2323%0.226CC..Hα-helixtrans-57.8-53.9178.3178.765.7000111.2N169 M173 G205 S211 L212 L213N169-L209 VanDerWaalsContact OD1-CD1 3.29Å; N169-L209 WeakPolarHBondContact OD1-CD1 2.95Å; M173-L209 HydrophobicContact CE-CB 3.89Å; M173-L209 HydrophobicContact CG-CD1 4.38Å; M173-L209 HydrophobicContact SD-CB 4.34Å; G205-L209 WeakPolarHBondContact O-CB 3.42Å; G205-L209 PolarHBondContact O-N 3.03Å; L209-S211 VanDerWaalsContact C-N 3.33Å; L209-S211 PolarHBondContact O-N 3.26Å; L209-L212 PolarHBondContact O-N 3.41Å; L209-L213 HydrophobicContact CD1-CD1 3.79Å; L209-L213 HydrophobicContact CD1-CG 4.17Å; L209-L213 HydrophobicContact CG-CD1 3.92Å; L209-L213 WeakPolarHBondContact O-CB 3.31Å; L209-L213 WeakPolarHBondContact O-CG 3.34Å; L209-L213 PolarHBondContact O-N 3.1Å
210C89.9Confident89.1Confident14 Ų1440.1 Ų40.110%0.09522%0.22CC..Hα-helixtrans-62.2-39.9180-67.10000112.3N206 L214 S287N206-C210 WeakPolarHBondContact O-CB 3.39Å; N206-C210 PolarHBondContact O-N 2.91Å; N206-C210 PolarHBondContact O-SG 3.08Å; C210-L214 WeakPolarHBondContact O-CB 3.33Å; C210-L214 VanDerWaalsContact O-CG 3.26Å; C210-L214 WeakPolarHBondContact O-CG 3.42Å; C210-L214 PolarHBondContact O-N 3.41Å; C210-S287 VanDerWaalsContact CB-OG 3.32Å; C210-S287 WeakPolarHBondContact CB-OG 3.38Å; C210-S287 PolarHBondContact SG-OG 3.25Å; C210-S287 VanDerWaalsContact SG-OG 3.32Å
211S91Very high89.3Confident3 Ų339.6 Ų39.62%0.02122%0.215CC..Hα-helixtrans-66.5-43.1-179.7-58.90000112.3Y207 L208 L209 G215 T279 S283Y207-S211 WeakPolarHBondContact O-CB 3.47Å; Y207-S211 PolarHBondContact O-N 3.13Å; Y207-S211 VanDerWaalsContact O-N 3.1Å; Y207-S211 PolarHBondContact O-OG 2.67Å; L208-S211 PolarHBondContact O-N 3.5Å; L209-S211 VanDerWaalsContact C-N 3.33Å; L209-S211 PolarHBondContact O-N 3.26Å; S211-G215 PolarHBondContact O-N 3.09Å; S211-T279 WeakPolarHBondContact CB-OG1 3.46Å; S211-T279 PolarHBondContact OG-OG1 3.46Å; S211-S283 WeakPolarHBondContact OG-CB 3.47Å; S211-S283 PolarHBondContact OG-OG 2.99Å
212L91.1Very high89.5Confident3 Ų341.5 Ų41.52%0.01623%0.228CC..Hα-helixtrans-71.4-39.6178.9-70.9177.4000112.4F165 L168 N169 L172 L208 L209 G215 N216 T272F165-L212 HydrophobicContact CD1-CD2 3.78Å; F165-L212 HydrophobicContact CE1-CD2 4.41Å; L168-L212 HydrophobicContact CB-CD1 4.18Å; N169-L212 HydrophobicContact CB-CB 4.44Å; N169-L212 HydrophobicContact CB-CD1 4.47Å; L172-L212 HydrophobicContact CD1-CD1 4.42Å; L208-L212 HydrophobicContact CD1-CD1 3.74Å; L208-L212 HydrophobicContact CD1-CG 4.03Å; L208-L212 HydrophobicContact CG-CD1 4.04Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 3.08Å; L209-L212 PolarHBondContact O-N 3.41Å; L212-G215 PolarHBondContact O-N 3.13Å; L212-N216 WeakPolarHBondContact O-CB 3.44Å; L212-N216 PolarHBondContact O-N 3.08Å; L212-T272 HydrophobicContact CD2-CG2 4.28Å
213L91.1Very high89.7Confident77 Ų7740.9 Ų40.940%0.40323%0.226SC..Hα-helixtrans-64.2-46.3176-75.4175.7000111.9L209 G215 N216 V217L209-L213 HydrophobicContact CD1-CD1 3.79Å; L209-L213 HydrophobicContact CD1-CG 4.17Å; L209-L213 HydrophobicContact CG-CD1 3.92Å; L209-L213 WeakPolarHBondContact O-CB 3.31Å; L209-L213 WeakPolarHBondContact O-CG 3.34Å; L209-L213 PolarHBondContact O-N 3.1Å; L213-G215 VanDerWaalsContact C-N 3.32Å; L213-G215 PolarHBondContact O-N 3.42Å; L213-N216 PolarHBondContact O-N 3.17Å; L213-V217 WeakPolarHBondContact O-CG2 3.24Å; L213-V217 PolarHBondContact O-N 3.05Å
214L91.5Very high90.1Very high64 Ų6438.8 Ų38.834%0.33521%0.209SC..Hα-helixtrans-61.6-41.8175.6-74.5174000111.5C210 V217 L218 L282 I286C210-L214 WeakPolarHBondContact O-CB 3.33Å; C210-L214 VanDerWaalsContact O-CG 3.26Å; C210-L214 WeakPolarHBondContact O-CG 3.42Å; C210-L214 PolarHBondContact O-N 3.41Å; L214-V217 PolarHBondContact O-N 3.4Å; L214-L218 VanDerWaalsContact O-CB 3.26Å; L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 PolarHBondContact O-N 3.45Å; L214-L282 HydrophobicContact CD1-CB 4.23Å; L214-I286 HydrophobicContact CD1-CD1 4.44Å
215G90.6Very high90.3Very high2 Ų237.3 Ų37.32%0.02121%0.207CC..Hα-helixtrans-59.7-44.9174.400000112.6S211 L212 L213 L218 V219S211-G215 PolarHBondContact O-N 3.09Å; L212-G215 PolarHBondContact O-N 3.13Å; L213-G215 VanDerWaalsContact C-N 3.32Å; L213-G215 PolarHBondContact O-N 3.42Å; G215-L218 PolarHBondContact O-N 3.21Å; G215-V219 WeakPolarHBondContact O-CG2 3.39Å; G215-V219 PolarHBondContact O-N 3.01Å
216N91.7Very high90.3Very high20 Ų2038.1 Ų38.111%0.10721%0.21CC..Hα-helixtrans-61.8-49.1177.9-171.642.2000111.8F165 L212 L213 L218 V219 N220F165-N216 HydrophobicContact CB-CB 4.11Å; L212-N216 WeakPolarHBondContact O-CB 3.44Å; L212-N216 PolarHBondContact O-N 3.08Å; L213-N216 PolarHBondContact O-N 3.17Å; N216-L218 VanDerWaalsContact C-N 3.33Å; N216-L218 PolarHBondContact O-N 2.94Å; N216-V219 PolarHBondContact O-N 2.84Å; N216-N220 VanDerWaalsContact O-CB 3.31Å; N216-N220 WeakPolarHBondContact O-CB 3.49Å; N216-N220 PolarHBondContact O-N 2.94Å; N216-N220 PolarHBondContact O-ND2 3.41Å; N216-N220 PolarHBondContact O-OD1 2.99Å; N216-N220 PolarHBondContact OD1-ND2 3.01Å
217V91.8Very high90.3Very high87 Ų8738.6 Ų38.653%0.52721%0.212SC..Hα-helixtrans-61.9-42.5178.71740000111.1L213 L214 N220 T221L213-V217 WeakPolarHBondContact O-CG2 3.24Å; L213-V217 PolarHBondContact O-N 3.05Å; L214-V217 PolarHBondContact O-N 3.4Å; V217-N220 PolarHBondContact O-N 3.25Å; V217-T221 HydrophobicContact CG1-CG2 4.39Å; V217-T221 WeakPolarHBondContact O-CB 3.21Å; V217-T221 VanDerWaalsContact O-CG2 3.3Å; V217-T221 WeakPolarHBondContact O-CG2 3.24Å; V217-T221 PolarHBondContact O-N 2.91Å; V217-T221 PolarHBondContact O-OG1 2.87Å
218L91.4Very high90.1Very high99 Ų9940 Ų4052%0.51822%0.222SC..Hα-helixtrans-62.9-46.1178.4-178.266.8000112.1L214 G215 N216 T221 T222L214-L218 VanDerWaalsContact O-CB 3.26Å; L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 PolarHBondContact O-N 3.45Å; G215-L218 PolarHBondContact O-N 3.21Å; N216-L218 VanDerWaalsContact C-N 3.33Å; N216-L218 PolarHBondContact O-N 2.94Å; L218-T221 PolarHBondContact O-OG1 2.76Å; L218-T222 WeakPolarHBondContact O-CB 3.4Å; L218-T222 PolarHBondContact O-N 3.03Å; L218-T222 PolarHBondContact O-OG1 2.97Å
219V92.3Very high89.8Confident11 Ų1144.1 Ų44.17%0.06724%0.244CC..Hα-helixtrans-67.9-42.4179.4172.80000111.2L158 L161 F165 G215 N216 T221 T222 L223L158-V219 HydrophobicContact CB-CG1 4.12Å; L158-V219 HydrophobicContact CD2-CG1 4Å; L158-V219 HydrophobicContact CD2-CG2 4.47Å; L158-V219 WeakPolarHBondContact O-CG1 3.38Å; L161-V219 HydrophobicContact CB-CG1 4.35Å; F165-V219 HydrophobicContact CD2-CG2 4.08Å; F165-V219 HydrophobicContact CE2-CG2 3.69Å; G215-V219 WeakPolarHBondContact O-CG2 3.39Å; G215-V219 PolarHBondContact O-N 3.01Å; N216-V219 PolarHBondContact O-N 2.84Å; V219-T221 PolarHBondContact O-N 3.41Å; V219-T222 PolarHBondContact O-N 3.25Å; V219-L223 VanDerWaalsContact O-CB 3.24Å; V219-L223 WeakPolarHBondContact O-CB 3.5Å; V219-L223 PolarHBondContact O-N 3.43Å
220N91.4Very high89.3Confident22 Ų2244.2 Ų44.212%0.11825%0.245CC..Hα-helixtrans-63.8-42.8-179.8-70.2-6.2000111.7S162 N216 V217 L223 T224 I245S162-N220 WeakPolarHBondContact CB-OD1 3.43Å; S162-N220 PolarHBondContact OG-OD1 3.45Å; N216-N220 VanDerWaalsContact O-CB 3.31Å; N216-N220 WeakPolarHBondContact O-CB 3.49Å; N216-N220 PolarHBondContact O-N 2.94Å; N216-N220 PolarHBondContact O-ND2 3.41Å; N216-N220 PolarHBondContact O-OD1 2.99Å; N216-N220 PolarHBondContact OD1-ND2 3.01Å; V217-N220 PolarHBondContact O-N 3.25Å; N220-L223 PolarHBondContact O-N 2.95Å; N220-T224 WeakPolarHBondContact O-CG2 3.3Å; N220-T224 PolarHBondContact O-N 3.33Å; N220-T224 PolarHBondContact O-OG1 3.44Å; N220-I245 HydrophobicContact CB-CD1 4.19Å
221T91.5Very high88.9Confident65 Ų6546.9 Ų46.940%0.39926%0.257SS..Hα-helixtrans-69.1-37.1176.550.90000112.7V217 L218 V219 T224 I225V217-T221 HydrophobicContact CG1-CG2 4.39Å; V217-T221 WeakPolarHBondContact O-CB 3.21Å; V217-T221 VanDerWaalsContact O-CG2 3.3Å; V217-T221 WeakPolarHBondContact O-CG2 3.24Å; V217-T221 PolarHBondContact O-N 2.91Å; V217-T221 PolarHBondContact O-OG1 2.87Å; L218-T221 PolarHBondContact O-OG1 2.76Å; V219-T221 PolarHBondContact O-N 3.41Å; T221-T224 PolarHBondContact O-OG1 2.95Å; T221-I225 WeakPolarHBondContact O-CD1 3.3Å; T221-I225 VanDerWaalsContact O-CG1 3.29Å; T221-I225 WeakPolarHBondContact O-CG1 3.23Å; T221-I225 PolarHBondContact O-N 3.18Å
222T90.8Very high87.9Confident54 Ų5450.2 Ų50.233%0.33129%0.292SS..Hα-helixtrans-67.1-39.8175.2-54.90000111.1L158 L218 V219 L226L158-T222 HydrophobicContact CD1-CG2 3.99Å; L218-T222 WeakPolarHBondContact O-CB 3.4Å; L218-T222 PolarHBondContact O-N 3.03Å; L218-T222 PolarHBondContact O-OG1 2.97Å; V219-T222 PolarHBondContact O-N 3.25Å; T222-L226 HydrophobicContact CG2-CD1 4.05Å; T222-L226 WeakPolarHBondContact O-CG 3.46Å; T222-L226 PolarHBondContact O-N 3.26Å; T222-L226 VanDerWaalsContact O-N 3.07Å
223L90.8Very high87.1Confident6 Ų652.7 Ų52.73%0.03131%0.31CS..Hα-helixtrans-64.2-42.7178.1179.764.7000112.1I155 L158 L159 V219 N220 L227 I245I155-L223 HydrophobicContact CB-CD1 4.18Å; I155-L223 HydrophobicContact CG1-CD1 4.33Å; I155-L223 HydrophobicContact CG2-CD1 3.72Å; L158-L223 HydrophobicContact CB-CB 4.44Å; L158-L223 HydrophobicContact CB-CD1 4.09Å; L159-L223 HydrophobicContact CB-CD2 4.23Å; V219-L223 VanDerWaalsContact O-CB 3.24Å; V219-L223 WeakPolarHBondContact O-CB 3.5Å; V219-L223 PolarHBondContact O-N 3.43Å; N220-L223 PolarHBondContact O-N 2.95Å; L223-L227 VanDerWaalsContact O-CB 3.32Å; L223-L227 WeakPolarHBondContact O-CB 3.14Å; L223-L227 PolarHBondContact O-N 3.07Å; L223-I245 HydrophobicContact CD2-CD1 4.08Å; L223-I245 HydrophobicContact CD2-CG1 3.63Å
224T89.8Confident86.4Confident49 Ų4951 Ų5130%0.30131%0.311SS..Hα-helixtrans-64.4-43.4178.652.40000111.8N220 T221 L227 D228 I245N220-T224 WeakPolarHBondContact O-CG2 3.3Å; N220-T224 PolarHBondContact O-N 3.33Å; N220-T224 PolarHBondContact O-OG1 3.44Å; T221-T224 PolarHBondContact O-OG1 2.95Å; T224-L227 PolarHBondContact O-N 3.28Å; T224-D228 PolarHBondContact O-N 3.21Å; T224-I245 HydrophobicContact CG2-CD1 3.94Å
225I89.1Confident86Confident106 Ų10654.7 Ų54.754%0.54433%0.33SS..Hα-helixtrans-63.5-46.9178.4-65.8166.6000110.8T221 L227 D228 D229T221-I225 WeakPolarHBondContact O-CD1 3.3Å; T221-I225 VanDerWaalsContact O-CG1 3.29Å; T221-I225 WeakPolarHBondContact O-CG1 3.23Å; T221-I225 PolarHBondContact O-N 3.18Å; I225-L227 VanDerWaalsContact C-N 3.27Å; I225-L227 PolarHBondContact O-N 2.87Å; I225-D228 WeakPolarHBondContact O-CB 3.36Å; I225-D228 PolarHBondContact O-N 3.08Å; I225-D229 PolarHBondContact O-N 3.48Å; I225-D229 VanDerWaalsContact O-N 3.17Å
226L86.9Confident85.7Confident23 Ų2356 Ų5612%0.1234%0.343CS..Hα-helixtrans-66.3-30.3179.2-72.2174.6000113L154 I155 L158 T222 L230L154-L226 HydrophobicContact CD2-CD1 3.59Å; L154-L226 HydrophobicContact CG-CD1 3.97Å; I155-L226 HydrophobicContact CG1-CB 4.17Å; L158-L226 HydrophobicContact CD1-CD1 3.5Å; T222-L226 HydrophobicContact CG2-CD1 4.05Å; T222-L226 WeakPolarHBondContact O-CG 3.46Å; T222-L226 PolarHBondContact O-N 3.26Å; T222-L226 VanDerWaalsContact O-N 3.07Å; L226-L230 PolarHBondContact O-N 3.28Å
227L85.9Confident85.4Confident23 Ų2355.1 Ų55.112%0.1234%0.339CS..Hα-helixtrans-74.2-31.9176.4-163.569.5000111.9I155 L223 T224 I225 L230 I231 A240 S241I155-L227 HydrophobicContact CD1-CD1 4.08Å; I155-L227 HydrophobicContact CG2-CD1 4.39Å; L223-L227 VanDerWaalsContact O-CB 3.32Å; L223-L227 WeakPolarHBondContact O-CB 3.14Å; L223-L227 PolarHBondContact O-N 3.07Å; T224-L227 PolarHBondContact O-N 3.28Å; I225-L227 VanDerWaalsContact C-N 3.27Å; I225-L227 PolarHBondContact O-N 2.87Å; L227-L230 HydrophobicContact CD1-CD2 4.33Å; L227-L230 PolarHBondContact O-N 2.86Å; L227-I231 HydrophobicContact CD1-CD1 4.04Å; L227-I231 HydrophobicContact CD2-CD1 4.16Å; L227-I231 HydrophobicContact CG-CD1 3.72Å; L227-I231 HydrophobicContact CG-CG1 4.47Å; L227-I231 WeakPolarHBondContact O-CB 3.46Å; L227-I231 PolarHBondContact O-N 3Å; L227-A240 HydrophobicContact CD2-CB 3.82Å; L227-S241 VanDerWaalsContact CD2-CA 3.49Å; L227-S241 VanDerWaalsContact CD2-N 3.25Å
228D86.1Confident85.2Confident67 Ų6755.1 Ų55.136%0.35834%0.339SS..Hα-helixtrans-62.9-47.1172.5-167.236.1000111.7T224 I225 L230 I231 G232 G234 A237T224-D228 PolarHBondContact O-N 3.21Å; I225-D228 WeakPolarHBondContact O-CB 3.36Å; I225-D228 PolarHBondContact O-N 3.08Å; D228-L230 PolarHBondContact O-N 3.11Å; D228-I231 PolarHBondContact O-N 3.33Å; D228-G232 PolarHBondContact O-N 3.11Å; D228-G234 VanDerWaalsContact OD1-CA 3.27Å; D228-G234 WeakPolarHBondContact OD1-CA 3.23Å; D228-A237 HydrophobicContact CB-CB 3.9Å
229D81.9Confident85.1Confident88 Ų8854.1 Ų54.147%0.47134%0.337SS..Hα-helixtrans-60.8-28.6175.4-74.8-16.9000113.3I225I225-D229 PolarHBondContact O-N 3.48Å; I225-D229 VanDerWaalsContact O-N 3.17Å
230L79.9Confident84.9Confident45 Ų4555.7 Ų55.724%0.23635%0.351CS..Hα-helixtrans-82-42.5-179.3-173.973.4000112.6M148 Q151 V152 I155 L226 L227 D228M148-L230 HydrophobicContact CE-CD1 3.35Å; M148-L230 HydrophobicContact CE-CG 4.38Å; M148-L230 HydrophobicContact SD-CD1 3.6Å; M148-L230 VanDerWaalsContact SD-CD1 3.6Å; Q151-L230 HydrophobicContact CB-CD1 4.39Å; V152-L230 HydrophobicContact CG2-CD1 4.49Å; V152-L230 HydrophobicContact CG2-CD2 4.32Å; I155-L230 HydrophobicContact CD1-CB 4.37Å; I155-L230 HydrophobicContact CD1-CD2 3.78Å; L226-L230 PolarHBondContact O-N 3.28Å; L227-L230 HydrophobicContact CD1-CD2 4.33Å; L227-L230 PolarHBondContact O-N 2.86Å; D228-L230 PolarHBondContact O-N 3.11Å
231I79.9Confident84.8Confident70 Ų7054.9 Ų54.936%0.35935%0.347SS..Hα-helixtrans-86.1-27.7-173.2-69.2172.6000111L227 D228 S233 A237 A240L227-I231 HydrophobicContact CD1-CD1 4.04Å; L227-I231 HydrophobicContact CD2-CD1 4.16Å; L227-I231 HydrophobicContact CG-CD1 3.72Å; L227-I231 HydrophobicContact CG-CG1 4.47Å; L227-I231 WeakPolarHBondContact O-CB 3.46Å; L227-I231 PolarHBondContact O-N 3Å; D228-I231 PolarHBondContact O-N 3.33Å; I231-S233 WeakPolarHBondContact CG2-OG 3.21Å; I231-S233 PolarHBondContact O-N 2.89Å; I231-A237 HydrophobicContact CB-CB 4.33Å; I231-A237 HydrophobicContact CD1-CB 4.33Å; I231-A240 HydrophobicContact CD1-CB 3.97Å
232G71Confident84.8Confident73 Ų7355.3 Ų55.375%0.75335%0.35SS*.  trans66.3518000000114.4D228D228-G232 PolarHBondContact O-N 3.11Å
233S73.6Confident84.8Confident56 Ų5657.3 Ų57.339%0.39236%0.357SS..  trans-123.1108.5173.4730000109.3I231 L235 G236 A237I231-S233 WeakPolarHBondContact CG2-OG 3.21Å; I231-S233 PolarHBondContact O-N 2.89Å; S233-L235 PolarHBondContact O-N 3.42Å; S233-G236 PolarHBondContact O-N 2.75Å; S233-A237 WeakPolarHBondContact O-CB 3.24Å; S233-A237 PolarHBondContact O-N 3.1Å
234G76.3Confident84.7Confident41 Ų4157.7 Ų57.742%0.42336%0.363SS..Hα-helixtrans-53.4-40.1-176.100000113.6D228 V238D228-G234 VanDerWaalsContact OD1-CA 3.27Å; D228-G234 WeakPolarHBondContact OD1-CA 3.23Å; G234-V238 VanDerWaalsContact O-CG2 3.24Å; G234-V238 WeakPolarHBondContact O-CG2 3.31Å; G234-V238 PolarHBondContact O-N 3.08Å; G234-V238 VanDerWaalsContact O-N 3.14Å
235L84.1Confident84.8Confident142 Ų14256 Ų5674%0.74335%0.352SS*.Hα-helixtrans-70.4-43.1177.5-173.463.6000112.5S233 A237 V238 V239S233-L235 PolarHBondContact O-N 3.42Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 2.91Å; L235-V238 PolarHBondContact O-N 2.83Å; L235-V239 WeakPolarHBondContact O-CG2 3.45Å; L235-V239 PolarHBondContact O-N 3.47Å; L235-V239 VanDerWaalsContact O-N 3.15Å
236G83.1Confident85Confident28 Ų2853.7 Ų53.729%0.28934%0.342SS..Hα-helixtrans-65-38.2178.900000112S233 A240S233-G236 PolarHBondContact O-N 2.75Å; G236-A240 WeakPolarHBondContact O-CB 3.19Å; G236-A240 PolarHBondContact O-N 2.81Å
237A85.3Confident85.2Confident2 Ų256 Ų562%0.01735%0.354CS..Hα-helixtrans-67.5-42.8177.100000113.4D228 I231 S233 L235 S241D228-A237 HydrophobicContact CB-CB 3.9Å; I231-A237 HydrophobicContact CB-CB 4.33Å; I231-A237 HydrophobicContact CD1-CB 4.33Å; S233-A237 WeakPolarHBondContact O-CB 3.24Å; S233-A237 PolarHBondContact O-N 3.1Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 2.91Å; A237-S241 VanDerWaalsContact O-CB 3.26Å; A237-S241 WeakPolarHBondContact O-CB 3.38Å; A237-S241 PolarHBondContact O-N 2.78Å; A237-S241 PolarHBondContact O-OG 3.44Å
238V87.8Confident85.3Confident88 Ų8860.9 Ų60.953%0.53337%0.374SS..Hα-helixtrans-62.7-45.4175.9171.70000111G234 L235 S241 T242G234-V238 VanDerWaalsContact O-CG2 3.24Å; G234-V238 WeakPolarHBondContact O-CG2 3.31Å; G234-V238 PolarHBondContact O-N 3.08Å; G234-V238 VanDerWaalsContact O-N 3.14Å; L235-V238 PolarHBondContact O-N 2.83Å; V238-S241 WeakPolarHBondContact CA-OG 3.48Å; V238-S241 PolarHBondContact O-OG 2.96Å; V238-T242 VanDerWaalsContact O-CB 3.29Å; V238-T242 WeakPolarHBondContact O-CB 3.46Å; V238-T242 PolarHBondContact O-N 3.11Å; V238-T242 PolarHBondContact O-OG1 3.29Å
239V90Very high85.4Confident77 Ų7757.7 Ų57.747%0.46736%0.357SS..Hα-helixtrans-65.5-47.2179.1175.30000111.2L235 T242 I243L235-V239 WeakPolarHBondContact O-CG2 3.45Å; L235-V239 PolarHBondContact O-N 3.47Å; L235-V239 VanDerWaalsContact O-N 3.15Å; V239-T242 PolarHBondContact O-N 3.26Å; V239-I243 HydrophobicContact CG1-CD1 3.83Å; V239-I243 WeakPolarHBondContact O-CG1 3.49Å; V239-I243 PolarHBondContact O-N 3.4Å
240A87.5Confident85.8Confident44 Ų4456.4 Ų56.436%0.36435%0.349SS..Hα-helixtrans-64.3-42.5-17900000112.5L227 I231 G236 G244L227-A240 HydrophobicContact CD2-CB 3.82Å; I231-A240 HydrophobicContact CD1-CB 3.97Å; G236-A240 WeakPolarHBondContact O-CB 3.19Å; G236-A240 PolarHBondContact O-N 2.81Å; A240-G244 PolarHBondContact O-N 2.9Å
241S89.6Confident86.3Confident5 Ų559 Ų594%0.03536%0.362CS..Hα-helixtrans-66.6-41.8177.453.10000111.5L227 A237 V238 G244 I245L227-S241 VanDerWaalsContact CD2-CA 3.49Å; L227-S241 VanDerWaalsContact CD2-N 3.25Å; A237-S241 VanDerWaalsContact O-CB 3.26Å; A237-S241 WeakPolarHBondContact O-CB 3.38Å; A237-S241 PolarHBondContact O-N 2.78Å; A237-S241 PolarHBondContact O-OG 3.44Å; V238-S241 WeakPolarHBondContact CA-OG 3.48Å; V238-S241 PolarHBondContact O-OG 2.96Å; S241-G244 PolarHBondContact O-N 3.45Å; S241-I245 WeakPolarHBondContact O-CB 3.25Å; S241-I245 WeakPolarHBondContact O-CD1 3.48Å; S241-I245 WeakPolarHBondContact O-CG1 3.25Å; S241-I245 PolarHBondContact O-N 2.88Å
242T90.8Very high86.8Confident75 Ų7559 Ų5946%0.4637%0.365SS..Hα-helixtrans-61.7-48.5178.1-56.40000111.2V238 V239 G244 V246V238-T242 VanDerWaalsContact O-CB 3.29Å; V238-T242 WeakPolarHBondContact O-CB 3.46Å; V238-T242 PolarHBondContact O-N 3.11Å; V238-T242 PolarHBondContact O-OG1 3.29Å; V239-T242 PolarHBondContact O-N 3.26Å; T242-G244 PolarHBondContact O-N 3.15Å; T242-V246 HydrophobicContact CG2-CG2 4.39Å; T242-V246 WeakPolarHBondContact O-CB 3.46Å; T242-V246 WeakPolarHBondContact O-CG2 3.17Å; T242-V246 PolarHBondContact O-N 3.45Å
243I91.6Very high87.7Confident95 Ų9556.5 Ų56.549%0.48734%0.335SS..Hα-helixtrans-64.1-43.1178.4-66.2170.9000110.8V239 I247V239-I243 HydrophobicContact CG1-CD1 3.83Å; V239-I243 WeakPolarHBondContact O-CG1 3.49Å; V239-I243 PolarHBondContact O-N 3.4Å; I243-I247 HydrophobicContact CG2-CD1 3.75Å; I243-I247 HydrophobicContact CG2-CG1 4.49Å; I243-I247 WeakPolarHBondContact O-CB 3.48Å; I243-I247 WeakPolarHBondContact O-CG1 3.14Å; I243-I247 PolarHBondContact O-N 3.47Å
244G89.1Confident88.6Confident14 Ų1456.9 Ų56.914%0.14433%0.331CS..Hα-helixtrans-62-47.617900000112.9A240 S241 T242 F248 G249A240-G244 PolarHBondContact O-N 2.9Å; S241-G244 PolarHBondContact O-N 3.45Å; T242-G244 PolarHBondContact O-N 3.15Å; G244-F248 WeakPolarHBondContact O-CB 3.42Å; G244-F248 PolarHBondContact O-N 3.05Å; G244-G249 PolarHBondContact O-N 3.46Å
245I91.9Very high89.2Confident15 Ų1557.5 Ų57.58%0.07733%0.332CS..Iπ-helixtrans-65.5-47.7178.5-67.6164000110.4N220 L223 T224 S241 I247 G249 E250N220-I245 HydrophobicContact CB-CD1 4.19Å; L223-I245 HydrophobicContact CD2-CD1 4.08Å; L223-I245 HydrophobicContact CD2-CG1 3.63Å; T224-I245 HydrophobicContact CG2-CD1 3.94Å; S241-I245 WeakPolarHBondContact O-CB 3.25Å; S241-I245 WeakPolarHBondContact O-CD1 3.48Å; S241-I245 WeakPolarHBondContact O-CG1 3.25Å; S241-I245 PolarHBondContact O-N 2.88Å; I245-I247 PolarHBondContact O-N 2.76Å; I245-G249 CarbonylContact O-C 3.6Å; I245-G249 WeakPolarHBondContact O-CA 3.35Å; I245-G249 PolarHBondContact O-N 3.23Å; I245-E250 HydrophobicContact CG2-CG 4.31Å; I245-E250 PolarHBondContact O-N 3.46Å
246V92.9Very high89.4Confident56 Ų5655.7 Ų55.734%0.33932%0.323SS..Iπ-helixtrans-63.2-47.7-176.9169.30000111.4T242 I251T242-V246 HydrophobicContact CG2-CG2 4.39Å; T242-V246 WeakPolarHBondContact O-CB 3.46Å; T242-V246 WeakPolarHBondContact O-CG2 3.17Å; T242-V246 PolarHBondContact O-N 3.45Å; V246-I251 HydrophobicContact CG1-CD1 3.54Å; V246-I251 HydrophobicContact CG1-CG1 4.19Å; V246-I251 WeakPolarHBondContact O-CB 3.36Å; V246-I251 VanDerWaalsContact O-CG1 3.26Å; V246-I251 WeakPolarHBondContact O-CG1 3.49Å; V246-I251 PolarHBondContact O-N 3.41Å
247I91.3Very high89.7Confident73 Ų7354.8 Ų54.837%0.37431%0.312SS..Iπ-helixtrans-75.5-55.9-176-62.5177.3000110.8I243 I245 V252I243-I247 HydrophobicContact CG2-CD1 3.75Å; I243-I247 HydrophobicContact CG2-CG1 4.49Å; I243-I247 WeakPolarHBondContact O-CB 3.48Å; I243-I247 WeakPolarHBondContact O-CG1 3.14Å; I243-I247 PolarHBondContact O-N 3.47Å; I245-I247 PolarHBondContact O-N 2.76Å; I247-V252 HydrophobicContact CG2-CG2 4.46Å; I247-V252 WeakPolarHBondContact O-CB 3.49Å; I247-V252 WeakPolarHBondContact O-CG2 3.47Å; I247-V252 PolarHBondContact O-N 2.82Å; I247-V252 VanDerWaalsContact O-N 3.1Å
248F88.6Confident89.7Confident124 Ų12458.1 Ų58.154%0.54434%0.335SS..Iπ-helixtrans-94.7-24-170.2-62.3-80.3000114L159 G244 P253L159-F248 HydrophobicContact CD1-CB 4.42Å; L159-F248 HydrophobicContact CD2-CB 3.43Å; L159-F248 VanDerWaalsContact CD2-CB 3.43Å; L159-F248 HydrophobicContact CD2-CG 4.33Å; L159-F248 HydrophobicContact CG-CB 4.24Å; G244-F248 WeakPolarHBondContact O-CB 3.42Å; G244-F248 PolarHBondContact O-N 3.05Å; F248-P253 WeakPolarHBondContact O-CD 3.24Å; F248-P253 WeakPolarHBondContact O-CG 3.37Å
249G87.3Confident89.5Confident0 Ų064.2 Ų64.20%035%0.348CS..Iπ-helixtrans-93.7-19.3177.900000114.4G163 S166 G244 I245G163-G249 WeakPolarHBondContact CA-O 3.22Å; S166-G249 WeakPolarHBondContact CB-O 3.32Å; G244-G249 PolarHBondContact O-N 3.46Å; I245-G249 CarbonylContact O-C 3.6Å; I245-G249 WeakPolarHBondContact O-CA 3.35Å; I245-G249 PolarHBondContact O-N 3.23Å
250E90.4Very high89.4Confident62 Ų6266.1 Ų66.129%0.2935%0.352SS..Iπ-helixtrans-127.4-67.7-177-63.1-170.9168.600112.7I245 P253 Q254I245-E250 HydrophobicContact CG2-CG 4.31Å; I245-E250 PolarHBondContact O-N 3.46Å; E250-P253 WeakPolarHBondContact O-CD 3.43Å; E250-Q254 WeakPolarHBondContact O-CB 3.34Å; E250-Q254 WeakPolarHBondContact O-CG 3.28Å; E250-Q254 PolarHBondContact O-N 3.34Å
251I91.1Very high89.3Confident99 Ų9964.5 Ų64.551%0.50834%0.34SS..Iπ-helixtrans-61.8-54.8-168.5-66.4171.7000112V246 A255V246-I251 HydrophobicContact CG1-CD1 3.54Å; V246-I251 HydrophobicContact CG1-CG1 4.19Å; V246-I251 WeakPolarHBondContact O-CB 3.36Å; V246-I251 VanDerWaalsContact O-CG1 3.26Å; V246-I251 WeakPolarHBondContact O-CG1 3.49Å; V246-I251 PolarHBondContact O-N 3.41Å; I251-A255 WeakPolarHBondContact O-CB 3.42Å; I251-A255 PolarHBondContact O-N 3.5Å
252V90.1Very high89.2Confident71 Ų7165.7 Ų65.743%0.4335%0.346SS..Hα-helixtrans-64.2-48.5-176.4171.60000111.5I247 A255 L256I247-V252 HydrophobicContact CG2-CG2 4.46Å; I247-V252 WeakPolarHBondContact O-CB 3.49Å; I247-V252 WeakPolarHBondContact O-CG2 3.47Å; I247-V252 PolarHBondContact O-N 2.82Å; I247-V252 VanDerWaalsContact O-N 3.1Å; V252-A255 PolarHBondContact O-N 3.08Å; V252-L256 HydrophobicContact CG1-CD1 4.35Å; V252-L256 WeakPolarHBondContact O-CG 3.21Å; V252-L256 PolarHBondContact O-N 2.85Å
253P89.8Confident89Confident20 Ų2063.9 Ų63.913%0.1334%0.338CS..Hα-helixtrans-64.8-40.6178.5-24.936.7000114.1G163 F248 E250 L256 C257G163-P253 VanDerWaalsContact CA-CG 3.45Å; G163-P253 WeakPolarHBondContact O-CB 3.38Å; F248-P253 WeakPolarHBondContact O-CD 3.24Å; F248-P253 WeakPolarHBondContact O-CG 3.37Å; E250-P253 WeakPolarHBondContact O-CD 3.43Å; P253-L256 PolarHBondContact O-N 3.04Å; P253-C257 WeakPolarHBondContact O-CB 3.46Å; P253-C257 PolarHBondContact O-N 3.41Å; P253-C257 PolarHBondContact O-SG 3.34Å
254Q91.6Very high88.8Confident63 Ų6361.5 Ų61.529%0.29433%0.328SS..Hα-helixtrans-63.9-41177.2-75.1180-5.500111.8S166 L170 E250 L256 C257 S258S166-Q254 PolarHBondContact OG-NE2 3.35Å; L170-Q254 HydrophobicContact CB-CG 4.45Å; L170-Q254 HydrophobicContact CD2-CB 3.91Å; L170-Q254 HydrophobicContact CD2-CG 4.32Å; E250-Q254 WeakPolarHBondContact O-CB 3.34Å; E250-Q254 WeakPolarHBondContact O-CG 3.28Å; E250-Q254 PolarHBondContact O-N 3.34Å; Q254-L256 VanDerWaalsContact C-N 3.32Å; Q254-L256 PolarHBondContact O-N 3.37Å; Q254-C257 PolarHBondContact O-N 2.52Å; Q254-S258 WeakPolarHBondContact O-CB 3.48Å; Q254-S258 PolarHBondContact O-N 3.41Å; Q254-S258 PolarHBondContact O-OG 3.42Å
255A90Very high88.7Confident54 Ų5460.9 Ų60.945%0.44632%0.321SS..Hα-helixtrans-63.8-35.4176.600000112.9I251 V252 S258I251-A255 WeakPolarHBondContact O-CB 3.42Å; I251-A255 PolarHBondContact O-N 3.5Å; V252-A255 PolarHBondContact O-N 3.08Å; A255-S258 PolarHBondContact O-OG 3.09Å
256L88.4Confident88.6Confident104 Ų10460.2 Ų60.255%0.54532%0.318SS..Hα-helixtrans-72.1-42.8175.1-71.2173.2000111.9V252 P253 Q254 R259 H260V252-L256 HydrophobicContact CG1-CD1 4.35Å; V252-L256 WeakPolarHBondContact O-CG 3.21Å; V252-L256 PolarHBondContact O-N 2.85Å; P253-L256 PolarHBondContact O-N 3.04Å; Q254-L256 VanDerWaalsContact C-N 3.32Å; Q254-L256 PolarHBondContact O-N 3.37Å; L256-R259 PolarHBondContact O-N 3.33Å; L256-H260 PolarHBondContact O-N 2.93Å
257C88.4Confident88.4Confident9 Ų962.9 Ų62.96%0.06133%0.331CS..Hα-helixtrans-72.6-25.7-178.7-65.20000113.2G167 P253 Q254 R259 G261G167-C257 VanDerWaalsContact C-SG 3.52Å; G167-C257 VanDerWaalsContact CA-SG 3.57Å; G167-C257 WeakPolarHBondContact O-CB 3.13Å; P253-C257 WeakPolarHBondContact O-CB 3.46Å; P253-C257 PolarHBondContact O-N 3.41Å; P253-C257 PolarHBondContact O-SG 3.34Å; Q254-C257 PolarHBondContact O-N 2.52Å; C257-R259 VanDerWaalsContact C-N 3.34Å; C257-G261 WeakPolarHBondContact O-CA 3.3Å; C257-G261 PolarHBondContact O-N 2.96Å
258S86.1Confident88.3Confident73 Ų7360.6 Ų60.651%0.5132%0.32SS..Hα-helixtrans-68.6-32.5174.869.10000112.6Q254 A255Q254-S258 WeakPolarHBondContact O-CB 3.48Å; Q254-S258 PolarHBondContact O-N 3.41Å; Q254-S258 PolarHBondContact O-OG 3.42Å; A255-S258 PolarHBondContact O-OG 3.09Å
259R83.8Confident88.3Confident215 Ų21555.3 Ų55.381%0.81130%0.297SS*.Hα-helixtrans-87.6-36.5177.8-67.1-175.7176.3-158.5-0.9113.7L256 C257L256-R259 PolarHBondContact O-N 3.33Å; C257-R259 VanDerWaalsContact C-N 3.34Å
260H86.7Confident88.4Confident117 Ų11762 Ų6254%0.54233%0.33SS..Hα-helixtrans-118.831.6-174.4-58.395.3000112.9L256 L262 A263 V264L256-H260 PolarHBondContact O-N 2.93Å; H260-L262 VanDerWaalsContact C-N 3.31Å; H260-L262 PolarHBondContact O-N 3.12Å; H260-A263 PolarHBondContact O-N 2.81Å; H260-A263 VanDerWaalsContact O-N 3.16Å; H260-V264 HydrophobicContact CB-CG2 4.22Å; H260-V264 WeakPolarHBondContact O-CG2 3.49Å; H260-V264 PolarHBondContact O-N 3.49Å
261G85.7Confident88.3Confident10 Ų1061.8 Ų61.810%0.10333%0.333CS..Hα-helixtrans-55-41.6-172.700000114.1C257 A263 G265C257-G261 WeakPolarHBondContact O-CA 3.3Å; C257-G261 PolarHBondContact O-N 2.96Å; G261-A263 PolarHBondContact O-N 3.47Å; G261-G265 PolarHBondContact O-N 3.35Å
262L86.8Confident88.2Confident31 Ų3157.1 Ų57.116%0.16231%0.309CS..Hα-helixtrans-63-44179.3-170.371.5000112.5L175 L180 V183 E191 A195 I198 H260 A266L175-L262 HydrophobicContact CD2-CB 4.26Å; L175-L262 HydrophobicContact CD2-CD1 3.84Å; L180-L262 HydrophobicContact CD1-CD1 3.62Å; V183-L262 HydrophobicContact CG1-CD2 4.12Å; E191-L262 HydrophobicContact CB-CD2 3.96Å; E191-L262 HydrophobicContact CG-CD2 3.98Å; A195-L262 HydrophobicContact CB-CD1 4.26Å; I198-L262 HydrophobicContact CD1-CD1 4.01Å; I198-L262 WeakPolarHBondContact CD1-O 3.43Å; H260-L262 VanDerWaalsContact C-N 3.31Å; H260-L262 PolarHBondContact O-N 3.12Å; L262-A266 WeakPolarHBondContact O-CB 3.46Å; L262-A266 PolarHBondContact O-N 3.16Å
263A87.7Confident88.2Confident36 Ų3658.6 Ų58.630%0.29831%0.31SS..Hα-helixtrans-73.7-45.4-178.700000111.8Y194 H260 G261 A266 N267Y194-A263 HydrophobicContact CE2-CB 4.37Å; H260-A263 PolarHBondContact O-N 2.81Å; H260-A263 VanDerWaalsContact O-N 3.16Å; G261-A263 PolarHBondContact O-N 3.47Å; A263-A266 PolarHBondContact O-N 3.32Å; A263-N267 PolarHBondContact O-N 2.85Å
264V88Confident88.2Confident46 Ų4663.4 Ų63.428%0.27933%0.329SS..Hα-helixtrans-65.7-44.8-179.8177.90000110.5L168 H260 A266 N267 T268L168-V264 HydrophobicContact CD2-CG1 4.16Å; H260-V264 HydrophobicContact CB-CG2 4.22Å; H260-V264 WeakPolarHBondContact O-CG2 3.49Å; H260-V264 PolarHBondContact O-N 3.49Å; V264-A266 PolarHBondContact O-N 3.35Å; V264-N267 PolarHBondContact O-N 3.47Å; V264-T268 HydrophobicContact CG1-CG2 4.37Å; V264-T268 WeakPolarHBondContact O-CB 3.5Å; V264-T268 WeakPolarHBondContact O-CG2 3.29Å; V264-T268 PolarHBondContact O-N 2.9Å; V264-T268 PolarHBondContact O-OG1 3.49Å
265G87.1Confident88Confident0 Ų062 Ų620%032%0.322CS..Hα-helixtrans-62-39.7177.700000113.4G261 T268 I269G261-G265 PolarHBondContact O-N 3.35Å; G265-T268 PolarHBondContact O-OG1 3.04Å; G265-I269 PolarHBondContact O-N 3.07Å
266A88.8Confident88Confident2 Ų260 Ų602%0.01730%0.304CS..Hα-helixtrans-73.3-33.8-178.700000113.1Y194 I198 L262 A263 V264 I269Y194-A266 VanDerWaalsContact CB-CB 3.46Å; Y194-A266 HydrophobicContact CD1-CB 3.28Å; Y194-A266 HydrophobicContact CD2-CB 4.42Å; Y194-A266 HydrophobicContact CE1-CB 4.09Å; Y194-A266 HydrophobicContact CG-CB 3.47Å; Y194-A266 VanDerWaalsContact CG-CB 3.47Å; I198-A266 HydrophobicContact CD1-CB 3.9Å; I198-A266 HydrophobicContact CG1-CB 4.22Å; L262-A266 WeakPolarHBondContact O-CB 3.46Å; L262-A266 PolarHBondContact O-N 3.16Å; A263-A266 PolarHBondContact O-N 3.32Å; V264-A266 PolarHBondContact O-N 3.35Å; A266-I269 WeakPolarHBondContact O-CB 3.49Å; A266-I269 VanDerWaalsContact O-CG2 3.28Å; A266-I269 WeakPolarHBondContact O-CG2 3.38Å
267N89.7Confident88.1Confident112 Ų11261 Ų6160%0.59931%0.309SS*.Hα-helixtrans-76-36.5177.5-76.2-13.5000112.2A263 V264 I269A263-N267 PolarHBondContact O-N 2.85Å; V264-N267 PolarHBondContact O-N 3.47Å; N267-I269 VanDerWaalsContact C-N 3.28Å; N267-I269 PolarHBondContact O-N 3.42Å
268T88.9Confident88.2Confident25 Ų2565.3 Ų65.315%0.15333%0.331CS..Hα-helixtrans-85.21.4180560000113.6M164 L168 V264 G265 M270 V271 T272M164-T268 HydrophobicContact CG-CG2 4.42Å; M164-T268 HydrophobicContact SD-CG2 4.22Å; L168-T268 VanDerWaalsContact CD2-OG1 3.23Å; L168-T268 WeakPolarHBondContact CD2-OG1 3.26Å; V264-T268 HydrophobicContact CG1-CG2 4.37Å; V264-T268 WeakPolarHBondContact O-CB 3.5Å; V264-T268 WeakPolarHBondContact O-CG2 3.29Å; V264-T268 PolarHBondContact O-N 2.9Å; V264-T268 PolarHBondContact O-OG1 3.49Å; G265-T268 PolarHBondContact O-OG1 3.04Å; T268-M270 PolarHBondContact O-N 2.95Å; T268-M270 VanDerWaalsContact O-N 3.08Å; T268-V271 WeakPolarHBondContact O-CA 3.23Å; T268-V271 WeakPolarHBondContact O-CB 3.4Å; T268-V271 PolarHBondContact O-N 2.87Å; T268-T272 PolarHBondContact O-N 3.17Å; T268-T272 PolarHBondContact O-OG1 3.07Å
269I88.4Confident88.3Confident12 Ų1262.4 Ų62.46%0.06231%0.31CS..Hα-helixtrans-54.7-35.8-172.6-157.167.5000114.3I198 I201 G265 A266 N267 K273I198-I269 HydrophobicContact CG1-CD1 4.29Å; I201-I269 HydrophobicContact CD1-CD1 3.24Å; I201-I269 HydrophobicContact CD1-CG1 3.63Å; I201-I269 HydrophobicContact CG1-CD1 4.5Å; G265-I269 PolarHBondContact O-N 3.07Å; A266-I269 WeakPolarHBondContact O-CB 3.49Å; A266-I269 VanDerWaalsContact O-CG2 3.28Å; A266-I269 WeakPolarHBondContact O-CG2 3.38Å; N267-I269 VanDerWaalsContact C-N 3.28Å; N267-I269 PolarHBondContact O-N 3.42Å; I269-K273 WeakPolarHBondContact O-CB 3.35Å; I269-K273 VanDerWaalsContact O-CG 3.31Å; I269-K273 WeakPolarHBondContact O-CG 3.35Å; I269-K273 PolarHBondContact O-N 3.21Å
270M89.4Confident88.6Confident142 Ų14256.7 Ų56.770%0.729%0.291SS*.Hα-helixtrans-68.8-40.3178.1-74.1-60.8-17200111.4T268 K273 F274T268-M270 PolarHBondContact O-N 2.95Å; T268-M270 VanDerWaalsContact O-N 3.08Å; M270-K273 PolarHBondContact O-N 2.83Å; M270-F274 PolarHBondContact O-N 3.45Å
271V88.2Confident88.9Confident56 Ų5655.5 Ų55.534%0.33929%0.294SS..Hα-helixtrans-67.5-45177-174.30000109.7M164 T268 K273 F274 F275M164-V271 HydrophobicContact CE-CB 4.41Å; M164-V271 HydrophobicContact CE-CG1 3.4Å; M164-V271 HydrophobicContact SD-CB 4.4Å; M164-V271 HydrophobicContact SD-CG1 3.93Å; T268-V271 WeakPolarHBondContact O-CA 3.23Å; T268-V271 WeakPolarHBondContact O-CB 3.4Å; T268-V271 PolarHBondContact O-N 2.87Å; V271-K273 VanDerWaalsContact C-N 3.35Å; V271-K273 PolarHBondContact O-N 2.88Å; V271-F274 WeakPolarHBondContact O-CB 3.32Å; V271-F274 PolarHBondContact O-N 2.94Å; V271-F275 HydrophobicContact CG1-CD2 3.79Å; V271-F275 HydrophobicContact CG1-CE2 3.72Å; V271-F275 VanDerWaalsContact O-CD2 3.3Å; V271-F275 WeakPolarHBondContact O-CD2 3.45Å; V271-F275 PolarHBondContact O-N 3.32Å
272T88.6Confident89Confident2 Ų260.6 Ų60.61%0.01232%0.318CS..Hα-helixtrans-57-46.3174.7-48.80000111.8L172 L208 L212 T268 F274 F275 M276L172-T272 HydrophobicContact CD1-CG2 4.44Å; L208-T272 HydrophobicContact CD1-CG2 3.69Å; L212-T272 HydrophobicContact CD2-CG2 4.28Å; T268-T272 PolarHBondContact O-N 3.17Å; T268-T272 PolarHBondContact O-OG1 3.07Å; T272-F274 PolarHBondContact O-N 2.93Å; T272-F275 PolarHBondContact O-N 2.96Å; T272-M276 HydrophobicContact CG2-CG 4.41Å; T272-M276 HydrophobicContact CG2-SD 4Å; T272-M276 WeakPolarHBondContact O-CB 3.45Å; T272-M276 VanDerWaalsContact O-CG 3.24Å; T272-M276 WeakPolarHBondContact O-CG 3.43Å; T272-M276 PolarHBondContact O-N 3.26Å
273K89.8Confident89.1Confident101 Ų10159.1 Ų59.144%0.43931%0.31SS..Hα-helixtrans-61.1-42176.5-77.5-178.7178.7-174.90112.7I201 I269 M270 V271 F275 M276 L277I201-K273 HydrophobicContact CD1-CD 4.21Å; I201-K273 HydrophobicContact CD1-CG 3.76Å; I269-K273 WeakPolarHBondContact O-CB 3.35Å; I269-K273 VanDerWaalsContact O-CG 3.31Å; I269-K273 WeakPolarHBondContact O-CG 3.35Å; I269-K273 PolarHBondContact O-N 3.21Å; M270-K273 PolarHBondContact O-N 2.83Å; V271-K273 VanDerWaalsContact C-N 3.35Å; V271-K273 PolarHBondContact O-N 2.88Å; K273-F275 VanDerWaalsContact C-N 3.35Å; K273-F275 PolarHBondContact O-N 3.07Å; K273-M276 PolarHBondContact O-N 3.12Å; K273-L277 WeakPolarHBondContact O-CB 3.38Å; K273-L277 PolarHBondContact O-N 3.4Å
274F90.6Very high89.2Confident122 Ų12262.1 Ų62.154%0.53532%0.317SS..Hα-helixtrans-59.5-45.7176.7174.1-98000111.4M270 V271 T272 L277 L278M270-F274 PolarHBondContact O-N 3.45Å; V271-F274 WeakPolarHBondContact O-CB 3.32Å; V271-F274 PolarHBondContact O-N 2.94Å; T272-F274 PolarHBondContact O-N 2.93Å; F274-L277 WeakPolarHBondContact O-CB 3.4Å; F274-L277 PolarHBondContact O-N 3.24Å; F274-L278 WeakPolarHBondContact O-CB 3.41Å; F274-L278 PolarHBondContact O-N 3.24Å
275F86.9Confident89.4Confident32 Ų3263.1 Ų63.114%0.1432%0.324CS..Hα-helixtrans-72.8-33.4178.5-79.6-75.9000113.8L161 F165 V271 T272 K273 L277 L278 T279L161-F275 HydrophobicContact CD2-CE2 4.33Å; L161-F275 HydrophobicContact CD2-CZ 4.43Å; F165-F275 HydrophobicContact CE1-CB 4Å; F165-F275 HydrophobicContact CE1-CD1 4.18Å; F165-F275 AromaticContact CE1-CD2 3.54Å; F165-F275 HydrophobicContact CE1-CD2 3.54Å; F165-F275 HydrophobicContact CE1-CE2 4.02Å; F165-F275 AromaticContact CE1-CG 3.63Å; F165-F275 HydrophobicContact CE1-CG 3.63Å; F165-F275 HydrophobicContact CE2-CD1 4.36Å; F165-F275 HydrophobicContact CE2-CE1 4.22Å; F165-F275 HydrophobicContact CE2-CZ 4.31Å; F165-F275 HydrophobicContact CZ-CB 4.17Å; F165-F275 AromaticContact CZ-CD1 3.49Å; F165-F275 HydrophobicContact CZ-CD1 3.49Å; F165-F275 VanDerWaalsContact CZ-CD1 3.49Å; F165-F275 AromaticContact CZ-CD2 3.37Å; F165-F275 HydrophobicContact CZ-CD2 3.37Å; F165-F275 AromaticContact CZ-CE1 3.58Å; F165-F275 HydrophobicContact CZ-CE1 3.58Å; F165-F275 AromaticContact CZ-CE2 3.47Å; F165-F275 HydrophobicContact CZ-CE2 3.47Å; F165-F275 VanDerWaalsContact CZ-CE2 3.47Å; F165-F275 AromaticContact CZ-CG 3.38Å; F165-F275 HydrophobicContact CZ-CG 3.38Å; F165-F275 AromaticContact CZ-CZ 3.58Å; F165-F275 HydrophobicContact CZ-CZ 3.58Å; V271-F275 HydrophobicContact CG1-CD2 3.79Å; V271-F275 HydrophobicContact CG1-CE2 3.72Å; V271-F275 VanDerWaalsContact O-CD2 3.3Å; V271-F275 WeakPolarHBondContact O-CD2 3.45Å; V271-F275 PolarHBondContact O-N 3.32Å; T272-F275 PolarHBondContact O-N 2.96Å; K273-F275 VanDerWaalsContact C-N 3.35Å; K273-F275 PolarHBondContact O-N 3.07Å; F275-L277 VanDerWaalsContact C-N 3.28Å; F275-L277 PolarHBondContact O-N 2.9Å; F275-L278 HydrophobicContact CD1-CD2 3.88Å; F275-L278 HydrophobicContact CE1-CD2 3.97Å; F275-L278 PolarHBondContact O-N 2.84Å; F275-T279 WeakPolarHBondContact O-CB 3.04Å; F275-T279 WeakPolarHBondContact O-CG2 3.37Å; F275-T279 PolarHBondContact O-N 3.26Å; F275-T279 PolarHBondContact O-OG1 2.92Å
276M89.1Confident89.5Confident14 Ų1466.6 Ų66.67%0.06934%0.342CS..Hα-helixtrans-60.9-40.4169.9-71.6175.476.800110.9I201 Y207 L208 T272 K273 F280I201-M276 HydrophobicContact CG2-CE 4.03Å; I201-M276 HydrophobicContact CG2-SD 3.72Å; Y207-M276 HydrophobicContact CD1-CE 3.24Å; Y207-M276 HydrophobicContact CE1-CB 4.27Å; Y207-M276 HydrophobicContact CE1-CE 3.23Å; Y207-M276 HydrophobicContact CG-CE 4.24Å; Y207-M276 PolarHBondContact OH-O 3.15Å; L208-M276 HydrophobicContact CB-CE 4.29Å; L208-M276 HydrophobicContact CD1-CE 4.26Å; L208-M276 HydrophobicContact CD1-CG 4.47Å; L208-M276 HydrophobicContact CD1-SD 3.67Å; T272-M276 HydrophobicContact CG2-CG 4.41Å; T272-M276 HydrophobicContact CG2-SD 4Å; T272-M276 WeakPolarHBondContact O-CB 3.45Å; T272-M276 VanDerWaalsContact O-CG 3.24Å; T272-M276 WeakPolarHBondContact O-CG 3.43Å; T272-M276 PolarHBondContact O-N 3.26Å; K273-M276 PolarHBondContact O-N 3.12Å; M276-F280 WeakPolarHBondContact O-CA 3.25Å; M276-F280 WeakPolarHBondContact O-CB 3.47Å; M276-F280 PolarHBondContact O-N 3.3Å
277L90.9Very high89.5Confident125 Ų12566.6 Ų66.665%0.65434%0.342SS*.Hα-helixtrans-67.2-42.9174-178.467000112.1K273 F274 F275 F280K273-L277 WeakPolarHBondContact O-CB 3.38Å; K273-L277 PolarHBondContact O-N 3.4Å; F274-L277 WeakPolarHBondContact O-CB 3.4Å; F274-L277 PolarHBondContact O-N 3.24Å; F275-L277 VanDerWaalsContact C-N 3.28Å; F275-L277 PolarHBondContact O-N 2.9Å; L277-F280 WeakPolarHBondContact O-CB 3.39Å; L277-F280 PolarHBondContact O-N 3.23Å
278L90.2Very high89.4Confident99 Ų9967.7 Ų67.752%0.51834%0.341SS..Hα-helixtrans-62.7-43.7179.2-175.470.9000112F274 F275 F280F274-L278 WeakPolarHBondContact O-CB 3.41Å; F274-L278 PolarHBondContact O-N 3.24Å; F275-L278 HydrophobicContact CD1-CD2 3.88Å; F275-L278 HydrophobicContact CE1-CD2 3.97Å; F275-L278 PolarHBondContact O-N 2.84Å; L278-F280 VanDerWaalsContact C-N 3.31Å
279T88.1Confident89.3Confident12 Ų1271.2 Ų71.27%0.07436%0.359CS..Hα-helixtrans-84.3-6.4-179.557.10000113.2S211 F275 P281 L282 S283S211-T279 WeakPolarHBondContact CB-OG1 3.46Å; S211-T279 PolarHBondContact OG-OG1 3.46Å; F275-T279 WeakPolarHBondContact O-CB 3.04Å; F275-T279 WeakPolarHBondContact O-CG2 3.37Å; F275-T279 PolarHBondContact O-N 3.26Å; F275-T279 PolarHBondContact O-OG1 2.92Å; T279-P281 VanDerWaalsContact C-CD 3.41Å; T279-L282 PolarHBondContact O-N 3.29Å; T279-S283 VanDerWaalsContact C-OG 3.32Å; T279-S283 PolarHBondContact O-N 3.22Å; T279-S283 PolarHBondContact O-OG 3.41Å; T279-S283 PolarHBondContact OG1-OG 2.8Å
280F91.3Very high89.2Confident94 Ų9473.1 Ų73.141%0.41237%0.369SS..Hα-helixtrans-42.4-49.6-177.8176.4-103.5000115.9Y207 M276 L277 L278 L282 F284Y207-F280 HydrophobicContact CE2-CD2 4.46Å; M276-F280 WeakPolarHBondContact O-CA 3.25Å; M276-F280 WeakPolarHBondContact O-CB 3.47Å; M276-F280 PolarHBondContact O-N 3.3Å; L277-F280 WeakPolarHBondContact O-CB 3.39Å; L277-F280 PolarHBondContact O-N 3.23Å; L278-F280 VanDerWaalsContact C-N 3.31Å; F280-L282 PolarHBondContact O-N 3.4Å; F280-L282 VanDerWaalsContact O-N 3.16Å; F280-F284 HydrophobicContact CD2-CB 4.01Å; F280-F284 HydrophobicContact CD2-CG 4.49Å; F280-F284 HydrophobicContact CE2-CB 3.89Å; F280-F284 AromaticContact CE2-CD2 3.97Å; F280-F284 HydrophobicContact CE2-CD2 3.97Å; F280-F284 AromaticContact CE2-CG 3.9Å; F280-F284 HydrophobicContact CE2-CG 3.9Å; F280-F284 HydrophobicContact CZ-CB 4.47Å; F280-F284 HydrophobicContact CZ-CG 4.35Å; F280-F284 WeakPolarHBondContact O-CB 3.25Å; F280-F284 PolarHBondContact O-N 3.22Å; F280-F284 VanDerWaalsContact O-N 3.09Å
281P91.9Very high88.9Confident93 Ų9369.2 Ų69.260%0.60435%0.351SS*.Hα-helixtrans-62.4-26.2-176.724.1-34.8000113.3T279 P285T279-P281 VanDerWaalsContact C-CD 3.41Å; P281-P285 WeakPolarHBondContact O-CD 3.44Å
282L88.8Confident88.8Confident116 Ų11676 Ų7661%0.60737%0.372SS*.Hα-helixtrans-98.6-45.4179.8-75.4151.2000111.9L214 T279 F280 P285 I286L214-L282 HydrophobicContact CD1-CB 4.23Å; T279-L282 PolarHBondContact O-N 3.29Å; F280-L282 PolarHBondContact O-N 3.4Å; F280-L282 VanDerWaalsContact O-N 3.16Å; L282-P285 VanDerWaalsContact O-CD 3.32Å; L282-P285 WeakPolarHBondContact O-CD 3.46Å; L282-P285 WeakPolarHBondContact O-CG 3.35Å; L282-I286 VanDerWaalsContact O-CD1 3.29Å; L282-I286 WeakPolarHBondContact O-CD1 3.36Å; L282-I286 VanDerWaalsContact O-CG1 3.29Å; L282-I286 WeakPolarHBondContact O-CG1 3.4Å
283S89Confident88.6Confident0 Ų081.5 Ų81.50%040%0.4CS..Hα-helixtrans-72.3-36.9-174.858.30000112.8Y207 S211 T279 I286 S287Y207-S283 WeakPolarHBondContact CE2-OG 3.46Å; S211-S283 WeakPolarHBondContact OG-CB 3.47Å; S211-S283 PolarHBondContact OG-OG 2.99Å; T279-S283 VanDerWaalsContact C-OG 3.32Å; T279-S283 PolarHBondContact O-N 3.22Å; T279-S283 PolarHBondContact O-OG 3.41Å; T279-S283 PolarHBondContact OG1-OG 2.8Å; S283-I286 PolarHBondContact O-N 3.45Å; S283-S287 WeakPolarHBondContact O-CB 3.42Å; S283-S287 PolarHBondContact O-N 3.1Å; S283-S287 PolarHBondContact O-OG 3.48Å
284F90.4Very high88Confident99 Ų9983.2 Ų83.243%0.43441%0.414SS..Hα-helixtrans-59.2-51-179.4-177.5-102.2000114.7Y207 F280 I286 S287 K288Y207-F284 HydrophobicContact CE2-CB 4.33Å; F280-F284 HydrophobicContact CD2-CB 4.01Å; F280-F284 HydrophobicContact CD2-CG 4.49Å; F280-F284 HydrophobicContact CE2-CB 3.89Å; F280-F284 AromaticContact CE2-CD2 3.97Å; F280-F284 HydrophobicContact CE2-CD2 3.97Å; F280-F284 AromaticContact CE2-CG 3.9Å; F280-F284 HydrophobicContact CE2-CG 3.9Å; F280-F284 HydrophobicContact CZ-CB 4.47Å; F280-F284 HydrophobicContact CZ-CG 4.35Å; F280-F284 WeakPolarHBondContact O-CB 3.25Å; F280-F284 PolarHBondContact O-N 3.22Å; F280-F284 VanDerWaalsContact O-N 3.09Å; F284-I286 PolarHBondContact O-N 2.97Å; F284-S287 PolarHBondContact O-N 3.34Å; F284-K288 HydrophobicContact CE1-CD 4.47Å; F284-K288 WeakPolarHBondContact O-CB 3.45Å; F284-K288 PolarHBondContact O-N 3.04Å
285P91.9Very high86.8Confident68 Ų6879.1 Ų79.144%0.44241%0.405SS..Hα-helixtrans-65.9-37.4179.125.1-34.4000112.5P281 L282 K288 L289P281-P285 WeakPolarHBondContact O-CD 3.44Å; L282-P285 VanDerWaalsContact O-CD 3.32Å; L282-P285 WeakPolarHBondContact O-CD 3.46Å; L282-P285 WeakPolarHBondContact O-CG 3.35Å; P285-K288 PolarHBondContact O-N 2.77Å; P285-L289 WeakPolarHBondContact O-CB 3.46Å; P285-L289 PolarHBondContact O-N 3.32Å
286I88.6Confident85.6Confident72 Ų7285 Ų8537%0.36943%0.433SS..Hα-helixtrans-64.1-46.1178-63.9170.9000110.2L214 L282 S283 F284 L289 L290L214-I286 HydrophobicContact CD1-CD1 4.44Å; L282-I286 VanDerWaalsContact O-CD1 3.29Å; L282-I286 WeakPolarHBondContact O-CD1 3.36Å; L282-I286 VanDerWaalsContact O-CG1 3.29Å; L282-I286 WeakPolarHBondContact O-CG1 3.4Å; S283-I286 PolarHBondContact O-N 3.45Å; F284-I286 PolarHBondContact O-N 2.97Å; I286-L289 WeakPolarHBondContact O-CB 3.44Å; I286-L289 PolarHBondContact O-N 3.36Å; I286-L290 PolarHBondContact O-N 2.82Å
287S88.1Confident84.1Confident3 Ų389.2 Ų89.22%0.02145%0.453CS..Hα-helixtrans-66.8-38.2179-56.10000112.5N206 Y207 C210 S283 F284 L289 L290 D291N206-S287 PolarHBondContact O-OG 3.33Å; Y207-S287 WeakPolarHBondContact CA-OG 3.45Å; C210-S287 VanDerWaalsContact CB-OG 3.32Å; C210-S287 WeakPolarHBondContact CB-OG 3.38Å; C210-S287 PolarHBondContact SG-OG 3.25Å; C210-S287 VanDerWaalsContact SG-OG 3.32Å; S283-S287 WeakPolarHBondContact O-CB 3.42Å; S283-S287 PolarHBondContact O-N 3.1Å; S283-S287 PolarHBondContact O-OG 3.48Å; F284-S287 PolarHBondContact O-N 3.34Å; S287-L289 VanDerWaalsContact C-N 3.32Å; S287-L289 PolarHBondContact O-N 2.91Å; S287-L290 WeakPolarHBondContact O-CB 3.42Å; S287-L290 PolarHBondContact O-N 3.27Å; S287-D291 VanDerWaalsContact O-CG 3.26Å; S287-D291 PolarHBondContact O-N 2.96Å
288K87.4Confident82.3Confident134 Ų13489.6 Ų89.658%0.58345%0.454SS*.Hα-helixtrans-66.2-34.5175.5-169.6173.5-177179.70112.4F284 P285 Y292F284-K288 HydrophobicContact CE1-CD 4.47Å; F284-K288 WeakPolarHBondContact O-CB 3.45Å; F284-K288 PolarHBondContact O-N 3.04Å; P285-K288 PolarHBondContact O-N 2.77Å; K288-Y292 WeakPolarHBondContact O-CB 3.48Å; K288-Y292 PolarHBondContact O-N 3.4Å; K288-Y292 VanDerWaalsContact O-N 3.09Å
289L88.4Confident80.6Confident100 Ų10086 Ų8652%0.52444%0.442SS..Hα-helixtrans-65.8-43.1171.9179.764.4000111.1P285 I286 S287 Y292 L293P285-L289 WeakPolarHBondContact O-CB 3.46Å; P285-L289 PolarHBondContact O-N 3.32Å; I286-L289 WeakPolarHBondContact O-CB 3.44Å; I286-L289 PolarHBondContact O-N 3.36Å; S287-L289 VanDerWaalsContact C-N 3.32Å; S287-L289 PolarHBondContact O-N 2.91Å; L289-Y292 PolarHBondContact O-N 3.31Å; L289-L293 HydrophobicContact CD1-CD1 4Å; L289-L293 HydrophobicContact CD1-CG 4.31Å; L289-L293 HydrophobicContact CG-CD1 3.99Å; L289-L293 WeakPolarHBondContact O-CG 3.38Å; L289-L293 PolarHBondContact O-N 2.91Å
290L84.6Confident79Confident52 Ų5288.3 Ų88.327%0.27246%0.456SS..Hα-helixtrans-60.6-46.9174-112.371.1000111.9I286 S287 Y292 L293 L294I286-L290 PolarHBondContact O-N 2.82Å; S287-L290 WeakPolarHBondContact O-CB 3.42Å; S287-L290 PolarHBondContact O-N 3.27Å; L290-Y292 PolarHBondContact O-N 3.47Å; L290-L293 PolarHBondContact O-N 2.89Å; L290-L294 PolarHBondContact O-N 3.43Å
291D85Confident77.1Confident59 Ų5989 Ų8932%0.31647%0.467SS..Hα-helixtrans-60.3-34.9178.1-70.2-27.6000111.9N206 S287 G295N206-D291 WeakPolarHBondContact CB-OD1 3.47Å; N206-D291 PolarHBondContact ND2-OD1 3.12Å; S287-D291 VanDerWaalsContact O-CG 3.26Å; S287-D291 PolarHBondContact O-N 2.96Å; D291-G295 CarbonylContact O-C 3.53Å; D291-G295 WeakPolarHBondContact O-CA 3.32Å; D291-G295 PolarHBondContact O-N 3.03Å; D291-G295 VanDerWaalsContact O-N 3.09Å
292Y85.1Confident75.5Confident200 Ų20087.8 Ų87.878%0.78445%0.451SS*.Hα-helixtrans-74-37177-177-98.6000112.9K288 L289 L290K288-Y292 WeakPolarHBondContact O-CB 3.48Å; K288-Y292 PolarHBondContact O-N 3.4Å; K288-Y292 VanDerWaalsContact O-N 3.09Å; L289-Y292 PolarHBondContact O-N 3.31Å; L290-Y292 PolarHBondContact O-N 3.47Å
293L85.2Confident74.4Confident117 Ų11787.3 Ų87.361%0.61345%0.449SS*.Hα-helixtrans-83.5-41.1-177-71.2172.7000113.5L289 L290L289-L293 HydrophobicContact CD1-CD1 4Å; L289-L293 HydrophobicContact CD1-CG 4.31Å; L289-L293 HydrophobicContact CG-CD1 3.99Å; L289-L293 WeakPolarHBondContact O-CG 3.38Å; L289-L293 PolarHBondContact O-N 2.91Å; L290-L293 PolarHBondContact O-N 2.89Å
294L75.5Confident73.3Confident137 Ų13791.4 Ų91.472%0.71747%0.465SS*.Hα-helixtrans-102.4-13.6-174.7-82.366.6000112.7L290L290-L294 PolarHBondContact O-N 3.43Å
295G65.8Low72.2Confident35 Ų3594.6 Ų94.636%0.36148%0.481SS..  trans84.6163.6-170.900000112.5D291D291-G295 CarbonylContact O-C 3.53Å; D291-G295 WeakPolarHBondContact O-CA 3.32Å; D291-G295 PolarHBondContact O-N 3.03Å; D291-G295 VanDerWaalsContact O-N 3.09Å
296Q61.3Low71Confident155 Ų15595.9 Ų95.972%0.72448%0.48SS*.  trans-62.8137.9172.6-74.1-175.8-60.200109.6I298Q296-I298 HydrophobicContact CB-CG1 4.24Å; Q296-I298 PolarHBondContact O-N 2.54Å
297E58.9Low70.1Confident103 Ų10395.7 Ų95.748%0.48148%0.479SS..  trans-61.178.6163.8-77.3-171.3148.800108.9R202 G299R202-E297 IonicContact CZ-OE2 3.32Å; R202-E297 IonicContact NH1-OE2 3.63Å; R202-E297 PolarHBondContact NH1-OE2 3.37Å; E297-G299 PolarHBondContact O-N 2.85Å
298I53.7Low69.2Low133 Ų13396.8 Ų96.868%0.68249%0.485SS*.  trans-73.4109.2169.2-61.3171.2000104.8Q296 V301Q296-I298 HydrophobicContact CB-CG1 4.24Å; Q296-I298 PolarHBondContact O-N 2.54Å; I298-V301 HydrophobicContact CG2-CG2 4.46Å
299G53.9Low68.2Low25 Ų2591.8 Ų91.826%0.25847%0.472SS..  trans-47145.2176.200000110.9E297 V301E297-G299 PolarHBondContact O-N 2.85Å; G299-V301 PolarHBondContact O-N 3Å
300T53.5Low67.3Low60 Ų6090.8 Ų90.837%0.36847%0.466SS..  trans-57.4113.3-166.669.10000110.6Y302 K306T300-Y302 WeakPolarHBondContact O-CD2 3.47Å; T300-Y302 PolarHBondContact O-N 2.93Å; T300-Y302 VanDerWaalsContact O-N 3.1Å; T300-K306 VanDerWaalsContact CB-NZ 3.34Å; T300-K306 PolarHBondContact OG1-NZ 2.75Å
301V52.6Low66.6Low107 Ų10790.2 Ų90.265%0.64846%0.463SS*.  trans-67.2114.8173-178.70000106.1I298 G299 N303I298-V301 HydrophobicContact CG2-CG2 4.46Å; G299-V301 PolarHBondContact O-N 3Å; V301-N303 PolarHBondContact O-N 2.8Å
302Y58.5Low65.7Low68 Ų6892.2 Ų92.227%0.26747%0.469SS..  trans-72.2100.1175.8-72.7-92.8000108.3M178 T300 K306 M310M178-Y302 HydrophobicContact CB-CE2 4.24Å; T300-Y302 WeakPolarHBondContact O-CD2 3.47Å; T300-Y302 PolarHBondContact O-N 2.93Å; T300-Y302 VanDerWaalsContact O-N 3.1Å; Y302-K306 HydrophobicContact CD1-CB 4.47Å; Y302-K306 HydrophobicContact CD1-CD 3.86Å; Y302-K306 HydrophobicContact CD1-CG 4Å; Y302-K306 HydrophobicContact CE1-CD 4.27Å; Y302-M310 HydrophobicContact CD1-SD 4.47Å; Y302-M310 HydrophobicContact CE1-CE 4.43Å; Y302-M310 HydrophobicContact CE1-SD 3.73Å
303N64.6Low64.9Low107 Ų10787.9 Ų87.957%0.57246%0.463SS*.  trans-60.1152.8164.4-78.1-20.1000109.7V301 E305 K306 L307V301-N303 PolarHBondContact O-N 2.8Å; N303-E305 PolarHBondContact O-N 3.38Å; N303-K306 WeakPolarHBondContact O-CA 3.46Å; N303-K306 WeakPolarHBondContact O-CB 3.35Å; N303-K306 PolarHBondContact O-N 3.17Å; N303-L307 PolarHBondContact O-N 3.11Å
304R65.8Low64.1Low85 Ų8584.6 Ų84.632%0.32145%0.447SS..Hα-helixtrans-51.3-41.1177.8179170.4165.8-151.6-18.8112.4K306 L307 V308 L332 T336R304-K306 PolarHBondContact O-N 3.33Å; R304-L307 WeakPolarHBondContact O-CB 3.16Å; R304-L307 PolarHBondContact O-N 3.11Å; R304-V308 WeakPolarHBondContact O-CG2 3.44Å; R304-V308 PolarHBondContact O-N 2.95Å; R304-L332 PolarHBondContact NE-O 2.86Å; R304-L332 PolarHBondContact NH2-O 3.31Å; R304-T336 PolarHBondContact NH2-OG1 2.97Å
305E67.8Low63.5Low167 Ų16782 Ų8278%0.7843%0.432SS*.Hα-helixtrans-62.1-40.2175.2-65169.8-16800112.6N303 V308 G309N303-E305 PolarHBondContact O-N 3.38Å; E305-V308 PolarHBondContact O-N 2.66Å; E305-G309 PolarHBondContact O-N 2.69Å
306K67.5Low63.1Low95 Ų9585.2 Ų85.241%0.41345%0.446SS..Hα-helixtrans-69.2-34.8176.7-164.2-179.7179.5-170.90111.4T300 Y302 N303 R304 G309 M310T300-K306 VanDerWaalsContact CB-NZ 3.34Å; T300-K306 PolarHBondContact OG1-NZ 2.75Å; Y302-K306 HydrophobicContact CD1-CB 4.47Å; Y302-K306 HydrophobicContact CD1-CD 3.86Å; Y302-K306 HydrophobicContact CD1-CG 4Å; Y302-K306 HydrophobicContact CE1-CD 4.27Å; N303-K306 WeakPolarHBondContact O-CA 3.46Å; N303-K306 WeakPolarHBondContact O-CB 3.35Å; N303-K306 PolarHBondContact O-N 3.17Å; R304-K306 PolarHBondContact O-N 3.33Å; K306-G309 PolarHBondContact O-N 2.79Å; K306-M310 VanDerWaalsContact O-CB 3.31Å; K306-M310 WeakPolarHBondContact O-CB 3.25Å; K306-M310 PolarHBondContact O-N 3.27Å
307L69.5Low62.9Low68 Ų6887.3 Ų87.336%0.35645%0.449SS..Hα-helixtrans-66.3-47.3174.4-174.369.3000111.4N303 R304 G309 M310 L311N303-L307 PolarHBondContact O-N 3.11Å; R304-L307 WeakPolarHBondContact O-CB 3.16Å; R304-L307 PolarHBondContact O-N 3.11Å; L307-G309 VanDerWaalsContact C-N 3.33Å; L307-G309 PolarHBondContact O-N 3.48Å; L307-M310 HydrophobicContact CD1-CE 4.15Å; L307-M310 PolarHBondContact O-N 3.49Å; L307-L311 WeakPolarHBondContact O-CG 3.36Å; L307-L311 PolarHBondContact O-N 3.49Å
308V68.4Low63Low25 Ų2586 Ų8615%0.15245%0.445CS..Hα-helixtrans-61.3-43.1174.3173.80000110.6R304 E305 M310 L311 K312 L332R304-V308 WeakPolarHBondContact O-CG2 3.44Å; R304-V308 PolarHBondContact O-N 2.95Å; E305-V308 PolarHBondContact O-N 2.66Å; V308-M310 PolarHBondContact O-N 3.28Å; V308-L311 PolarHBondContact O-N 2.73Å; V308-K312 HydrophobicContact CG1-CD 4.46Å; V308-K312 WeakPolarHBondContact O-CG 3.46Å; V308-K312 PolarHBondContact O-N 3.45Å; V308-L332 HydrophobicContact CG2-CB 4.39Å; V308-L332 HydrophobicContact CG2-CD1 3.79Å
309G66.6Low63.3Low30 Ų3087.6 Ų87.631%0.30946%0.455SS..Hα-helixtrans-61.4-42.817600000112.8E305 K306 L307 K312 V313E305-G309 PolarHBondContact O-N 2.69Å; K306-G309 PolarHBondContact O-N 2.79Å; L307-G309 VanDerWaalsContact C-N 3.33Å; L307-G309 PolarHBondContact O-N 3.48Å; G309-K312 PolarHBondContact O-N 2.75Å; G309-V313 VanDerWaalsContact O-CG2 3.32Å; G309-V313 WeakPolarHBondContact O-CG2 3.31Å; G309-V313 PolarHBondContact O-N 2.92Å
310M70Confident63.9Low78 Ų7889.7 Ų89.738%0.38446%0.46SS..Hα-helixtrans-64.6-41.4177.1-170.4173.975.400111.7Y302 K306 L307 V308 V313 T314Y302-M310 HydrophobicContact CD1-SD 4.47Å; Y302-M310 HydrophobicContact CE1-CE 4.43Å; Y302-M310 HydrophobicContact CE1-SD 3.73Å; K306-M310 VanDerWaalsContact O-CB 3.31Å; K306-M310 WeakPolarHBondContact O-CB 3.25Å; K306-M310 PolarHBondContact O-N 3.27Å; L307-M310 HydrophobicContact CD1-CE 4.15Å; L307-M310 PolarHBondContact O-N 3.49Å; V308-M310 PolarHBondContact O-N 3.28Å; M310-V313 PolarHBondContact O-N 2.9Å; M310-T314 WeakPolarHBondContact O-CB 3.09Å; M310-T314 PolarHBondContact O-N 3.37Å; M310-T314 PolarHBondContact O-OG1 2.83Å
311L69.4Low64.9Low40 Ų4092.1 Ų92.121%0.20947%0.471CS..Hα-helixtrans-60-46.2174.6-75167.2000111.4L307 V308 V313 T314 E315 I328 L332L307-L311 WeakPolarHBondContact O-CG 3.36Å; L307-L311 PolarHBondContact O-N 3.49Å; V308-L311 PolarHBondContact O-N 2.73Å; L311-V313 PolarHBondContact O-N 2.94Å; L311-T314 PolarHBondContact O-N 3.37Å; L311-E315 PolarHBondContact O-N 3.24Å; L311-I328 HydrophobicContact CD1-CG2 3.93Å; L311-L332 HydrophobicContact CD1-CD1 4.21Å
312K66.9Low66.1Low102 Ų10294 Ų9444%0.44347%0.47SS..Hα-helixtrans-61.3-40176.8-73-177.8179.7-177.90113.2V308 G309 T314 E315V308-K312 HydrophobicContact CG1-CD 4.46Å; V308-K312 WeakPolarHBondContact O-CG 3.46Å; V308-K312 PolarHBondContact O-N 3.45Å; G309-K312 PolarHBondContact O-N 2.75Å; K312-T314 VanDerWaalsContact C-N 3.28Å; K312-T314 PolarHBondContact O-N 3.1Å; K312-E315 WeakPolarHBondContact O-CB 3.27Å
313V68.6Low67Low109 Ų10997.9 Ų97.966%0.66149%0.491SS*.Hα-helixtrans-72.7-24.5178.9174.30000112G309 M310 L311 P316G309-V313 VanDerWaalsContact O-CG2 3.32Å; G309-V313 WeakPolarHBondContact O-CG2 3.31Å; G309-V313 PolarHBondContact O-N 2.92Å; M310-V313 PolarHBondContact O-N 2.9Å; L311-V313 PolarHBondContact O-N 2.94Å; V313-P316 WeakPolarHBondContact O-CD 3.47Å
314T66.4Low67.7Low47 Ų4796.8 Ų96.829%0.28848%0.482SS..Hα-helixtrans-89.7-8.3-179-44.50000112.7M310 L311 K312 P316 Y317 N318M310-T314 WeakPolarHBondContact O-CB 3.09Å; M310-T314 PolarHBondContact O-N 3.37Å; M310-T314 PolarHBondContact O-OG1 2.83Å; L311-T314 PolarHBondContact O-N 3.37Å; K312-T314 VanDerWaalsContact C-N 3.28Å; K312-T314 PolarHBondContact O-N 3.1Å; T314-P316 VanDerWaalsContact C-CD 3.41Å; T314-P316 VanDerWaalsContact C-N 3.35Å; T314-Y317 PolarHBondContact O-N 3.01Å; T314-N318 HydrophobicContact CG2-CB 4.2Å; T314-N318 PolarHBondContact O-N 3.02Å
315E62.8Low68.4Low84 Ų8493.2 Ų93.239%0.39347%0.469SS..THydrogen-bonded Turntrans-46.6-43.1178.1-166.5-171.916400114.7L311 K312 Y317 L325L311-E315 PolarHBondContact O-N 3.24Å; K312-E315 WeakPolarHBondContact O-CB 3.27Å; E315-Y317 VanDerWaalsContact C-N 3.32Å; E315-Y317 PolarHBondContact O-N 3.37Å; E315-L325 HydrophobicContact CB-CD1 4.33Å; E315-L325 HydrophobicContact CG-CD1 4.38Å
316P58.8Low69.1Low101 Ų10188 Ų8866%0.65645%0.447SS*.THydrogen-bonded Turntrans-79-9.2179.229.5-33.5000114.9V313 T314V313-P316 WeakPolarHBondContact O-CD 3.47Å; T314-P316 VanDerWaalsContact C-CD 3.41Å; T314-P316 VanDerWaalsContact C-N 3.35Å
317Y57.8Low70Confident200 Ų20087.4 Ų87.478%0.78445%0.446SS*.THydrogen-bonded Turntrans-114.4-12.5-173.9-63.7-74.6000113.9T314 E315T314-Y317 PolarHBondContact O-N 3.01Å; E315-Y317 VanDerWaalsContact C-N 3.32Å; E315-Y317 PolarHBondContact O-N 3.37Å
318N60Low70.7Confident76 Ų7687.6 Ų87.641%0.40645%0.447SS..SBendtrans-93145.9-177.8-130.38.5000111.2T314 L320T314-N318 HydrophobicContact CG2-CB 4.2Å; T314-N318 PolarHBondContact O-N 3.02Å; N318-L320 HydrophobicContact CB-CB 4.45Å; N318-L320 HydrophobicContact CB-CG 4.4Å; N318-L320 WeakPolarHBondContact ND2-CD1 3.39Å; N318-L320 PolarHBondContact O-N 3.35Å; N318-L320 VanDerWaalsContact O-N 3.14Å
319D60.8Low71.5Confident166 Ų16688.1 Ų88.189%0.88845%0.448SS*.SBendtrans-79.821.5173.7-157.326.3000112
320L65.5Low72.5Confident68 Ų6886.7 Ų86.736%0.35643%0.434SS..SBendtrans-93.7132.9178.9-64.5-180000108.9N318 E324N318-L320 HydrophobicContact CB-CB 4.45Å; N318-L320 HydrophobicContact CB-CG 4.4Å; N318-L320 WeakPolarHBondContact ND2-CD1 3.39Å; N318-L320 PolarHBondContact O-N 3.35Å; N318-L320 VanDerWaalsContact O-N 3.14Å; L320-E324 WeakPolarHBondContact CD2-OE2 3.42Å
321D75.1Confident73.3Confident111 Ų11185.8 Ų85.859%0.59444%0.438SS*.  trans-63.7146.7173.8-73.4-40.6000110.1E323 E324 L325D321-E323 PolarHBondContact O-N 3.34Å; D321-E323 VanDerWaalsContact O-N 3.13Å; D321-E324 HydrophobicContact CB-CG 4.32Å; D321-E324 WeakPolarHBondContact O-CB 3.31Å; D321-E324 PolarHBondContact O-N 3.46Å; D321-L325 PolarHBondContact O-N 2.77Å
322K76.6Confident74.1Confident147 Ų14786 Ų8664%0.63944%0.44SS*.Hα-helixtrans-56.4-33.2-178.9-68.8-175.9174.3-1740112.5L325 N326K322-L325 PolarHBondContact O-N 3.49Å; K322-N326 WeakPolarHBondContact O-CB 3.11Å; K322-N326 PolarHBondContact O-N 3.09Å; K322-N326 PolarHBondContact O-ND2 2.98Å
323E77.2Confident75.1Confident149 Ų14983.2 Ų83.270%0.69643%0.428SS*.Hα-helixtrans-65.4-40.6177.8-66.9164.9-165.700111.6D321 N326 M327D321-E323 PolarHBondContact O-N 3.34Å; D321-E323 VanDerWaalsContact O-N 3.13Å; E323-N326 PolarHBondContact O-N 3.41Å; E323-M327 WeakPolarHBondContact O-CG 3.49Å; E323-M327 PolarHBondContact O-N 3.1Å
324E79.5Confident76.1Confident85 Ų8578.9 Ų78.940%0.39740%0.401SS..Hα-helixtrans-66.9-41.1176.6-61.7-174.1145.100111.7L320 D321 N326 M327 I328L320-E324 WeakPolarHBondContact CD2-OE2 3.42Å; D321-E324 HydrophobicContact CB-CG 4.32Å; D321-E324 WeakPolarHBondContact O-CB 3.31Å; D321-E324 PolarHBondContact O-N 3.46Å; E324-N326 VanDerWaalsContact C-N 3.35Å; E324-M327 HydrophobicContact CB-CE 4.47Å; E324-M327 HydrophobicContact CG-CE 4.27Å; E324-M327 PolarHBondContact O-N 2.8Å; E324-I328 VanDerWaalsContact O-CG1 3.31Å; E324-I328 WeakPolarHBondContact O-CG1 3.37Å; E324-I328 PolarHBondContact O-N 3.01Å
325L81.7Confident77Confident10 Ų1085.2 Ų85.25%0.05242%0.42CS..Hα-helixtrans-65.2-40.7177.1-169.2137.1000111.6E315 D321 K322 I328 Q329E315-L325 HydrophobicContact CB-CD1 4.33Å; E315-L325 HydrophobicContact CG-CD1 4.38Å; D321-L325 PolarHBondContact O-N 2.77Å; K322-L325 PolarHBondContact O-N 3.49Å; L325-I328 PolarHBondContact O-N 3.15Å; L325-Q329 WeakPolarHBondContact O-CB 3.37Å; L325-Q329 PolarHBondContact O-N 2.86Å
326N82.9Confident78.3Confident58 Ų5884.9 Ų84.931%0.3142%0.424SS..Hα-helixtrans-60.9-44.7174.2-77.7-10.5000111.9K322 E323 E324 I328 Q329 G330 K471K322-N326 WeakPolarHBondContact O-CB 3.11Å; K322-N326 PolarHBondContact O-N 3.09Å; K322-N326 PolarHBondContact O-ND2 2.98Å; E323-N326 PolarHBondContact O-N 3.41Å; E324-N326 VanDerWaalsContact C-N 3.35Å; N326-I328 PolarHBondContact O-N 3.02Å; N326-Q329 PolarHBondContact O-N 3.5Å; N326-G330 PolarHBondContact O-N 3.18Å; N326-K471 HydrophobicContact CB-CB 4.15Å; N326-K471 HydrophobicContact CB-CG 4.49Å
327M85.6Confident79.9Confident81 Ų8182.4 Ų82.440%0.39940%0.402SS..Hα-helixtrans-60.5-44.6175.6-76.7-170.6-68.100112.5E323 E324 Q329 G330 A331 I469 I470E323-M327 WeakPolarHBondContact O-CG 3.49Å; E323-M327 PolarHBondContact O-N 3.1Å; E324-M327 HydrophobicContact CB-CE 4.47Å; E324-M327 HydrophobicContact CG-CE 4.27Å; E324-M327 PolarHBondContact O-N 2.8Å; M327-Q329 VanDerWaalsContact C-N 3.33Å; M327-Q329 PolarHBondContact O-N 3.01Å; M327-G330 PolarHBondContact O-N 3.43Å; M327-A331 WeakPolarHBondContact O-CB 3.34Å; M327-A331 PolarHBondContact O-N 3.1Å; M327-I469 WeakPolarHBondContact CA-O 3.46Å; M327-I470 HydrophobicContact CG-CB 4.41Å; M327-I470 HydrophobicContact CG-CG2 4.01Å; M327-I470 HydrophobicContact SD-CG2 4.45Å
328I84.9Confident81.6Confident73 Ų7374 Ų7437%0.37437%0.372SS..Hα-helixtrans-63.8-42.6177.9-67165.6000110.3L311 E324 L325 N326 L332L311-I328 HydrophobicContact CD1-CG2 3.93Å; E324-I328 VanDerWaalsContact O-CG1 3.31Å; E324-I328 WeakPolarHBondContact O-CG1 3.37Å; E324-I328 PolarHBondContact O-N 3.01Å; L325-I328 PolarHBondContact O-N 3.15Å; N326-I328 PolarHBondContact O-N 3.02Å; I328-L332 HydrophobicContact CG2-CD1 4.2Å; I328-L332 WeakPolarHBondContact O-CB 3.48Å; I328-L332 WeakPolarHBondContact O-CG 2.95Å; I328-L332 PolarHBondContact O-N 2.96Å
329Q83.9Confident83.3Confident35 Ų3570.4 Ų70.416%0.16435%0.353CS..Hα-helixtrans-63.7-45.2176.9-174.8-179.6-25.800111.3L325 N326 M327 L332 E333L325-Q329 WeakPolarHBondContact O-CB 3.37Å; L325-Q329 PolarHBondContact O-N 2.86Å; N326-Q329 PolarHBondContact O-N 3.5Å; M327-Q329 VanDerWaalsContact C-N 3.33Å; M327-Q329 PolarHBondContact O-N 3.01Å; Q329-L332 PolarHBondContact O-N 3.48Å; Q329-E333 HydrophobicContact CG-CG 4.46Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.26Å; Q329-E333 PolarHBondContact NE2-OE1 2.7Å; Q329-E333 WeakPolarHBondContact O-CB 3.07Å; Q329-E333 WeakPolarHBondContact O-CG 3.27Å; Q329-E333 PolarHBondContact O-N 2.95Å
330G87.3Confident84.9Confident1 Ų166.7 Ų66.71%0.0133%0.33CS..Hα-helixtrans-62.6-44.9177.700000112.6N326 M327 L332 E333 L334 E468 I469N326-G330 PolarHBondContact O-N 3.18Å; M327-G330 PolarHBondContact O-N 3.43Å; G330-L332 VanDerWaalsContact C-N 3.31Å; G330-L332 PolarHBondContact O-N 3.26Å; G330-E333 PolarHBondContact O-N 2.88Å; G330-E333 VanDerWaalsContact O-N 3.11Å; G330-L334 PolarHBondContact O-N 3.41Å; G330-E468 WeakPolarHBondContact CA-O 3.32Å; G330-I469 WeakPolarHBondContact CA-O 3.49Å
331A87.8Confident86.1Confident58 Ų5867.1 Ų67.148%0.47933%0.332SS..Hα-helixtrans-60.5-39.8174.400000112.4M327M327-A331 WeakPolarHBondContact O-CB 3.34Å; M327-A331 PolarHBondContact O-N 3.1Å
332L86.4Confident86.9Confident46 Ų4662.3 Ų62.324%0.24131%0.307CS..Hα-helixtrans-63.4-49.6172.2-73.7171.2000110R304 V308 L311 I328 Q329 G330 L334R304-L332 PolarHBondContact NE-O 2.86Å; R304-L332 PolarHBondContact NH2-O 3.31Å; V308-L332 HydrophobicContact CG2-CB 4.39Å; V308-L332 HydrophobicContact CG2-CD1 3.79Å; L311-L332 HydrophobicContact CD1-CD1 4.21Å; I328-L332 HydrophobicContact CG2-CD1 4.2Å; I328-L332 WeakPolarHBondContact O-CB 3.48Å; I328-L332 WeakPolarHBondContact O-CG 2.95Å; I328-L332 PolarHBondContact O-N 2.96Å; Q329-L332 PolarHBondContact O-N 3.48Å; G330-L332 VanDerWaalsContact C-N 3.31Å; G330-L332 PolarHBondContact O-N 3.26Å; L332-L334 VanDerWaalsContact C-N 3.29Å; L332-L334 PolarHBondContact O-N 3.48Å
333E87Confident87.7Confident42 Ų4256.5 Ų56.520%0.19628%0.283CS..Hα-helixtrans-64.9-23.1-177.1-75.1177.7-16600115.1Q329 G330 R335 T336 K337 K471Q329-E333 HydrophobicContact CG-CG 4.46Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.26Å; Q329-E333 PolarHBondContact NE2-OE1 2.7Å; Q329-E333 WeakPolarHBondContact O-CB 3.07Å; Q329-E333 WeakPolarHBondContact O-CG 3.27Å; Q329-E333 PolarHBondContact O-N 2.95Å; G330-E333 PolarHBondContact O-N 2.88Å; G330-E333 VanDerWaalsContact O-N 3.11Å; E333-R335 PolarHBondContact O-N 2.76Å; E333-R335 VanDerWaalsContact O-N 3.15Å; E333-T336 PolarHBondContact O-N 3.36Å; E333-T336 PolarHBondContact O-OG1 3.11Å; E333-K337 PolarHBondContact O-N 3.19Å; E333-K471 WeakPolarHBondContact OE2-CE 3.43Å; E333-K471 IonicContact OE2-NZ 3.88Å; E333-K471 PolarHBondContact OE2-NZ 2.78Å
334L89.1Confident88.3Confident19 Ų1950.5 Ų50.510%0.09926%0.256CS..THydrogen-bonded Turntrans-52.8-38.6-178.6-167.375.2000113.4G330 L332 T336 L424 D425 L428 V465 I469G330-L334 PolarHBondContact O-N 3.41Å; L332-L334 VanDerWaalsContact C-N 3.29Å; L332-L334 PolarHBondContact O-N 3.48Å; L334-T336 VanDerWaalsContact C-N 3.29Å; L334-T336 PolarHBondContact O-N 3.46Å; L334-L424 HydrophobicContact CD1-CB 3.31Å; L334-L424 HydrophobicContact CD1-CD1 4.07Å; L334-L424 HydrophobicContact CD1-CG 4.34Å; L334-L424 HydrophobicContact CG-CB 3.85Å; L334-D425 HydrophobicContact CD2-CB 4.03Å; L334-D425 HydrophobicContact CG-CB 4.21Å; L334-L428 HydrophobicContact CD2-CD2 4.1Å; L334-V465 HydrophobicContact CD1-CG1 4.03Å; L334-I469 HydrophobicContact CD1-CD1 3.99Å; L334-I469 HydrophobicContact CD1-CG1 3.78Å; L334-I469 HydrophobicContact CD2-CD1 3.98Å; L334-I469 HydrophobicContact CD2-CG1 4.33Å
335R87.3Confident89Confident180 Ų18048.8 Ų48.868%0.67925%0.253SS*.THydrogen-bonded Turntrans-74.9-16.5-179.7-174.8168.1178.3163.23.4113.8E333E333-R335 PolarHBondContact O-N 2.76Å; E333-R335 VanDerWaalsContact O-N 3.15Å
336T88.5Confident89.5Confident77 Ų7749.7 Ų49.747%0.47226%0.257SS..THydrogen-bonded Turntrans-97.6-41.9178.532.30000112.2R304 E333 L334 K423R304-T336 PolarHBondContact NH2-OG1 2.97Å; E333-T336 PolarHBondContact O-N 3.36Å; E333-T336 PolarHBondContact O-OG1 3.11Å; L334-T336 VanDerWaalsContact C-N 3.29Å; L334-T336 PolarHBondContact O-N 3.46Å; T336-K423 PolarHBondContact O-NZ 3.01Å
337K92.4Very high89.9Confident49 Ų4951.1 Ų51.121%0.21328%0.277CS..  trans-65.6151-179.7-74.2-167.3169.9-161.20111.7E333 K423 L424 E468E333-K337 PolarHBondContact O-N 3.19Å; K337-K423 WeakPolarHBondContact O-CD 3.43Å; K337-L424 HydrophobicContact CB-CD1 3.57Å; K337-L424 HydrophobicContact CB-CG 4.03Å; K337-L424 HydrophobicContact CD-CD1 4.32Å; K337-L424 PolarHBondContact O-N 3.39Å; K337-E468 IonicContact NZ-OE1 3.34Å; K337-E468 PolarHBondContact NZ-OE1 2.84Å; K337-E468 IonicContact NZ-OE2 3.37Å; K337-E468 PolarHBondContact NZ-OE2 3.19Å
338T95Very high90.1Very high24 Ų2450.7 Ų50.715%0.14728%0.276CS..BIsolated β-bridgetrans-110.3163.8178.356.70000110.3E340 D341 T422 K423T338-E340 PolarHBondContact O-N 3.01Å; T338-D341 PolarHBondContact N-OD2 3.31Å; T338-D341 WeakPolarHBondContact O-CB 3.5Å; T338-D341 PolarHBondContact O-N 3.4Å; T338-D341 VanDerWaalsContact O-N 3.17Å; T338-D341 PolarHBondContact OG1-OD2 3.31Å; T338-T422 CarbonylContact C-O 3.57Å; T338-T422 WeakPolarHBondContact CA-O 3.32Å; T338-K423 HydrophobicContact CG2-CD 4.03Å; T338-K423 VanDerWaalsContact CG2-NZ 3.27Å
339V94.8Very high90.4Very high0 Ų047.7 Ų47.70%026%0.262CS..Hα-helixtrans-58.9-33.7174.5171.90000111.5D341 V342 M343 V418 T422 L424 M427 V441 V460V339-D341 PolarHBondContact O-N 3Å; V339-V342 VanDerWaalsContact O-CG2 3.25Å; V339-V342 WeakPolarHBondContact O-CG2 3.48Å; V339-V342 PolarHBondContact O-N 2.71Å; V339-M343 WeakPolarHBondContact O-CB 3.41Å; V339-M343 PolarHBondContact O-N 3.37Å; V339-V418 HydrophobicContact CG2-CG1 4.39Å; V339-T422 WeakPolarHBondContact CG2-O 3.45Å; V339-T422 PolarHBondContact N-O 3.41Å; V339-L424 HydrophobicContact CG2-CD2 4.05Å; V339-M427 HydrophobicContact CG2-CB 4.09Å; V339-M427 HydrophobicContact CG2-CG 3.99Å; V339-M427 HydrophobicContact CG2-SD 4.22Å; V339-V441 HydrophobicContact CG1-CB 4.33Å; V339-V441 HydrophobicContact CG1-CG1 3.92Å; V339-V441 HydrophobicContact CG1-CG2 3.4Å; V339-V441 VanDerWaalsContact CG1-CG2 3.4Å; V339-V460 HydrophobicContact CG1-CB 3.98Å; V339-V460 HydrophobicContact CG1-CG1 3.74Å; V339-V460 HydrophobicContact CG1-CG2 4.35Å
340E93.4Very high90.8Very high88 Ų8848.6 Ų48.641%0.41127%0.265SS..Hα-helixtrans-58.6-31.4176.5-168.7172.7172.200113.8T338 V342 M343 H420T338-E340 PolarHBondContact O-N 3.01Å; E340-V342 VanDerWaalsContact C-N 3.31Å; E340-V342 PolarHBondContact O-N 3.27Å; E340-M343 HydrophobicContact CG-CE 3.83Å; E340-M343 HydrophobicContact CG-SD 4.5Å; E340-H420 HydrophobicContact CB-CB 4.35Å; E340-H420 PolarHBondContact N-O 3Å; E340-H420 IonicContact OE2-CE1 3.86Å; E340-H420 IonicContact OE2-CG 3.9Å; E340-H420 IonicContact OE2-ND1 3.9Å; E340-H420 PolarHBondContact OE2-ND1 3.21Å
341D91.8Very high91.1Very high76 Ų7649.1 Ų49.141%0.40627%0.268SS..Hα-helixtrans-68.9-32.2-178.5-61.5-54.3000112.3T338 V339 R485T338-D341 PolarHBondContact N-OD2 3.31Å; T338-D341 WeakPolarHBondContact O-CB 3.5Å; T338-D341 PolarHBondContact O-N 3.4Å; T338-D341 VanDerWaalsContact O-N 3.17Å; T338-D341 PolarHBondContact OG1-OD2 3.31Å; V339-D341 PolarHBondContact O-N 3Å; D341-R485 PolarHBondContact O-NH1 3.19Å; D341-R485 VanDerWaalsContact O-NH1 3.11Å; D341-R485 PolarHBondContact O-NH2 3.11Å
342V91.7Very high91.4Very high11 Ų1147.1 Ų47.17%0.06725%0.249CC..Hα-helixtrans-107.6-19.3-172.3-64.10000114.3V339 E340 L424 V460 E468V339-V342 VanDerWaalsContact O-CG2 3.25Å; V339-V342 WeakPolarHBondContact O-CG2 3.48Å; V339-V342 PolarHBondContact O-N 2.71Å; E340-V342 VanDerWaalsContact C-N 3.31Å; E340-V342 PolarHBondContact O-N 3.27Å; V342-L424 HydrophobicContact CG1-CD1 3.89Å; V342-L424 HydrophobicContact CG1-CD2 4.48Å; V342-L424 HydrophobicContact CG2-CD1 4.44Å; V342-L424 HydrophobicContact CG2-CD2 3.55Å; V342-V460 HydrophobicContact CG2-CG2 4.01Å; V342-E468 HydrophobicContact CB-CG 4.48Å; V342-E468 HydrophobicContact CG1-CB 4.39Å; V342-E468 HydrophobicContact CG1-CG 3.22Å
343M92.6Very high91.8Very high25 Ų2548.5 Ų48.512%0.12325%0.254CS..PPolyproline II helixtrans-59.1146.8-173.268.8178.9-175.600112.4V339 E340 P345 V441 L457 L459V339-M343 WeakPolarHBondContact O-CB 3.41Å; V339-M343 PolarHBondContact O-N 3.37Å; E340-M343 HydrophobicContact CG-CE 3.83Å; E340-M343 HydrophobicContact CG-SD 4.5Å; M343-P345 WeakPolarHBondContact O-CD 3.38Å; M343-V441 HydrophobicContact CB-CG2 4.08Å; M343-V441 HydrophobicContact SD-CB 4.16Å; M343-V441 HydrophobicContact SD-CG1 3.85Å; M343-L457 HydrophobicContact CE-CB 3.96Å; M343-L457 HydrophobicContact CE-CD1 4.2Å; M343-L457 HydrophobicContact SD-CB 3.93Å; M343-L457 HydrophobicContact SD-CD1 4.48Å; M343-L459 WeakPolarHBondContact CA-O 3.39Å
344T91.8Very high92Very high23 Ų2346.8 Ų46.814%0.14125%0.247CC..EExtended strand (participates in β ladder)trans-80.8120.8166.4-65.90000108.8N348 G458 L459T344-N348 HydrophobicContact CG2-CB 4.13Å; T344-G458 VanDerWaalsContact O-CA 3.25Å; T344-G458 WeakPolarHBondContact O-CA 3.24Å; T344-L459 PolarHBondContact N-O 3.03Å; T344-L459 PolarHBondContact O-N 3.5Å
345P93Very high92.2Very high49 Ų4949 Ų4932%0.31826%0.259SS..EExtended strand (participates in β ladder)trans-60.4144.7179.3-23.133.3000112M343 A347 N348 C349M343-P345 WeakPolarHBondContact O-CD 3.38Å; P345-A347 PolarHBondContact O-N 3.29Å; P345-N348 PolarHBondContact O-N 3.05Å; P345-C349 PolarHBondContact O-N 3.35Å; P345-C349 PolarHBondContact O-SG 3.38Å
346L92.8Very high92.4Very high29 Ų2941.3 Ų41.315%0.15223%0.234CC..G310 helixtrans-53-35.2-178.3-171.766.1000113.1N348 C349 M351 I384 V456 L457L346-N348 PolarHBondContact O-N 3.4Å; L346-C349 WeakPolarHBondContact O-CB 3.33Å; L346-C349 PolarHBondContact O-N 3.26Å; L346-C349 VanDerWaalsContact O-N 3.12Å; L346-M351 HydrophobicContact CD1-CE 4.07Å; L346-M351 HydrophobicContact CD1-SD 3.64Å; L346-I384 HydrophobicContact CD1-CD1 4.33Å; L346-V456 HydrophobicContact CD1-CG1 4.16Å; L346-V456 HydrophobicContact CD2-CG1 4.35Å; L346-L457 WeakPolarHBondContact CB-O 3.15Å; L346-L457 PolarHBondContact N-O 3.06Å
347A90.4Very high92.6Very high88 Ų8840.8 Ų40.873%0.72723%0.231SC*.G310 helixtrans-62.8-26.8178.600000114.1P345P345-A347 PolarHBondContact O-N 3.29Å
348N89.7Confident92.5Very high71 Ų7138.5 Ų38.538%0.3822%0.221SC..G310 helixtrans-96.3-2.2178.4-70.7-24.8000112.7T344 P345 L346T344-N348 HydrophobicContact CG2-CB 4.13Å; P345-N348 PolarHBondContact O-N 3.05Å; L346-N348 PolarHBondContact O-N 3.4Å
349C91Very high92.1Very high11 Ų1139.2 Ų39.27%0.07422%0.224CC..  trans-78.3133.8-179.1-62.90000111P345 L346 M351 L459P345-C349 PolarHBondContact O-N 3.35Å; P345-C349 PolarHBondContact O-SG 3.38Å; L346-C349 WeakPolarHBondContact O-CB 3.33Å; L346-C349 PolarHBondContact O-N 3.26Å; L346-C349 VanDerWaalsContact O-N 3.12Å; C349-M351 HydrophobicContact CB-CG 3.99Å; C349-M351 HydrophobicContact CB-SD 4.21Å; C349-L459 HydrophobicContact CB-CD2 4Å; C349-L459 WeakPolarHBondContact SG-CD2 3.41Å
350F92.4Very high91.5Very high53 Ų5340.2 Ų40.223%0.23223%0.228CC..  trans-80.6124.8166.2-178.3-100000109E365 Y371 I374F350-E365 HydrophobicContact CE2-CG 4.13Å; F350-E365 HydrophobicContact CZ-CG 4.05Å; F350-Y371 HydrophobicContact CB-CD2 3.74Å; F350-Y371 HydrophobicContact CB-CE2 3.58Å; F350-Y371 HydrophobicContact CD1-CD2 4.02Å; F350-Y371 HydrophobicContact CG-CD2 4.1Å; F350-Y371 HydrophobicContact CG-CE2 4.25Å; F350-I374 HydrophobicContact CD1-CD1 4.28Å; F350-I374 HydrophobicContact CD1-CG1 4.21Å; F350-I374 HydrophobicContact CD1-CG2 3.97Å; F350-I374 HydrophobicContact CE1-CD1 3.96Å; F350-I374 HydrophobicContact CE1-CG1 4.38Å; F350-I374 HydrophobicContact CE1-CG2 4.12Å
351M93.6Very high91.1Very high12 Ų1239.7 Ų39.76%0.05923%0.228CC..  trans-144.3152-173.3-52.4174.773.800109.5L346 C349 P375 Y377 R381 I384L346-M351 HydrophobicContact CD1-CE 4.07Å; L346-M351 HydrophobicContact CD1-SD 3.64Å; C349-M351 HydrophobicContact CB-CG 3.99Å; C349-M351 HydrophobicContact CB-SD 4.21Å; M351-P375 WeakPolarHBondContact CA-O 3.36Å; M351-P375 HydrophobicContact CE-CB 3.84Å; M351-P375 HydrophobicContact CG-CB 4.21Å; M351-P375 HydrophobicContact CG-CG 4.46Å; M351-Y377 HydrophobicContact CB-CD1 3.79Å; M351-Y377 HydrophobicContact CB-CE1 4.03Å; M351-Y377 HydrophobicContact CE-CD1 4.24Å; M351-R381 WeakPolarHBondContact CE-O 3.47Å; M351-R381 HydrophobicContact SD-CB 4.4Å; M351-I384 HydrophobicContact CE-CD1 3.49Å; M351-I384 VanDerWaalsContact CE-CD1 3.49Å; M351-I384 HydrophobicContact CE-CG1 3.45Å; M351-I384 VanDerWaalsContact CE-CG1 3.45Å
352I94.4Very high90.9Very high17 Ų1737.4 Ų37.49%0.08722%0.217CC..EExtended strand (participates in β ladder)trans-119.2144.2179.4-168.1162000111A356 I366 I374 P375 V376 Y377 L404I352-A356 HydrophobicContact CD1-CB 4.02Å; I352-A356 HydrophobicContact CG1-CB 3.82Å; I352-I366 HydrophobicContact CD1-CD1 3.76Å; I352-I366 HydrophobicContact CD1-CG1 4.21Å; I352-I374 HydrophobicContact CB-CG2 4.4Å; I352-I374 HydrophobicContact CG2-CG2 4.01Å; I352-P375 PolarHBondContact N-O 2.85Å; I352-P375 VanDerWaalsContact N-O 3.1Å; I352-V376 HydrophobicContact CG2-CB 4.45Å; I352-V376 HydrophobicContact CG2-CG1 4.45Å; I352-V376 HydrophobicContact CG2-CG2 3.83Å; I352-V376 VanDerWaalsContact O-CA 3.3Å; I352-V376 WeakPolarHBondContact O-CA 3.31Å; I352-Y377 VanDerWaalsContact C-CE1 3.5Å; I352-Y377 VanDerWaalsContact O-CD1 3.24Å; I352-Y377 WeakPolarHBondContact O-CD1 3.47Å; I352-Y377 PolarHBondContact O-N 3.29Å; I352-L404 HydrophobicContact CB-CD2 4.35Å; I352-L404 HydrophobicContact CD1-CD2 4.03Å; I352-L404 HydrophobicContact CG1-CD2 3.95Å; I352-L404 HydrophobicContact CG2-CD2 3.51Å
353Q94.8Very high90.6Very high75 Ų7538 Ų3835%0.3522%0.219SC..EExtended strand (participates in β ladder)trans-75.1140.3176.9-171.6173.9-0.500110.3D355 A356 Y377Q353-D355 VanDerWaalsContact C-N 3.28Å; Q353-D355 PolarHBondContact O-N 2.87Å; Q353-A356 WeakPolarHBondContact O-CB 3.35Å; Q353-A356 PolarHBondContact O-N 3.18Å; Q353-Y377 CarbonylContact C-O 3.48Å; Q353-Y377 WeakPolarHBondContact CA-O 3.31Å; Q353-Y377 HydrophobicContact CB-CE1 4.3Å; Q353-Y377 HydrophobicContact CB-CE2 4.15Å; Q353-Y377 HydrophobicContact CG-CE2 4.16Å
354A92.9Very high90.2Very high6 Ų637 Ų375%0.0522%0.215CC..THydrogen-bonded Turntrans-58.4-38.3-17800000112.9A356 V376 Y377 N403 K405A354-A356 PolarHBondContact O-N 3.2Å; A354-V376 HydrophobicContact CB-CG1 3.77Å; A354-Y377 WeakPolarHBondContact CB-O 3.39Å; A354-Y377 PolarHBondContact N-O 2.95Å; A354-N403 PolarHBondContact O-OD1 2.84Å; A354-K405 HydrophobicContact CB-CD 4.38Å; A354-K405 HydrophobicContact CB-CG 4.1Å; A354-K405 WeakPolarHBondContact O-CG 3.49Å; A354-K405 PolarHBondContact O-N 3.46Å
355D92.3Very high89.9Confident65 Ų6541 Ų4135%0.34823%0.232SC..THydrogen-bonded Turntrans-78.85.1178.2-69.7-52.7000114.8Q353 V357 K405Q353-D355 VanDerWaalsContact C-N 3.28Å; Q353-D355 PolarHBondContact O-N 2.87Å; D355-V357 PolarHBondContact O-N 2.88Å; D355-K405 VanDerWaalsContact CG-CE 3.41Å; D355-K405 WeakPolarHBondContact OD1-CD 3.46Å; D355-K405 WeakPolarHBondContact OD1-CE 3.45Å; D355-K405 IonicContact OD1-NZ 2.72Å; D355-K405 PolarHBondContact OD1-NZ 3.25Å; D355-K405 IonicContact OD2-NZ 2.8Å; D355-K405 PolarHBondContact OD2-NZ 3.12Å
356A91.7Very high89.7Confident19 Ų1938.7 Ų38.716%0.15722%0.217CC..  trans-62.3137.1177.200000111I352 Q353 A354 N403 L404I352-A356 HydrophobicContact CD1-CB 4.02Å; I352-A356 HydrophobicContact CG1-CB 3.82Å; Q353-A356 WeakPolarHBondContact O-CB 3.35Å; Q353-A356 PolarHBondContact O-N 3.18Å; A354-A356 PolarHBondContact O-N 3.2Å; A356-N403 PolarHBondContact O-OD1 2.71Å; A356-L404 VanDerWaalsContact O-CB 3.24Å; A356-L404 WeakPolarHBondContact O-CB 3.38Å; A356-L404 PolarHBondContact O-N 2.7Å
357V92Very high89.3Confident66 Ų6642 Ų4240%0.423%0.233SC..EExtended strand (participates in β ladder)trans-87.8127172.7179.20000108D355 D359 T362 C401D355-V357 PolarHBondContact O-N 2.88Å; V357-D359 PolarHBondContact O-N 3.44Å; V357-T362 WeakPolarHBondContact O-CG2 3.39Å; V357-T362 PolarHBondContact O-OG1 3.13Å; V357-C401 HydrophobicContact CG1-CB 3.74Å; V357-C401 VanDerWaalsContact CG1-O 3.31Å; V357-C401 WeakPolarHBondContact CG1-O 3.44Å
358L90.6Very high89Confident0 Ų041.1 Ų41.10%021%0.214CC..EExtended strand (participates in β ladder)trans-76.468.8176.4-63.8173.6000110.1T362 M363 I366 L393 V396 T402 L404 I407L358-T362 WeakPolarHBondContact CA-OG1 3.46Å; L358-M363 HydrophobicContact CB-CG 4.27Å; L358-M363 HydrophobicContact CB-SD 4.46Å; L358-M363 HydrophobicContact CD2-CG 4.44Å; L358-I366 HydrophobicContact CD2-CD1 4.06Å; L358-L393 HydrophobicContact CD1-CD2 3.76Å; L358-L393 HydrophobicContact CD2-CD2 4.26Å; L358-V396 HydrophobicContact CB-CG1 4.44Å; L358-V396 HydrophobicContact CD1-CG1 4.22Å; L358-T402 WeakPolarHBondContact CB-O 3.21Å; L358-T402 PolarHBondContact N-O 3.21Å; L358-L404 HydrophobicContact CD1-CB 4.5Å; L358-L404 HydrophobicContact CD1-CD1 4.17Å; L358-L404 HydrophobicContact CD2-CB 4.45Å; L358-L404 HydrophobicContact CD2-CD1 4.23Å; L358-L404 HydrophobicContact CG-CB 4.24Å; L358-L404 HydrophobicContact CG-CD1 4.47Å; L358-I407 HydrophobicContact CD1-CG1 3.76Å
359D86.9Confident88.7Confident40 Ų4038.5 Ų38.521%0.21420%0.201CC..  trans-84175.1169.377.4-22.5000110.9V357 N361 T362 M363V357-D359 PolarHBondContact O-N 3.44Å; D359-N361 PolarHBondContact O-N 3.37Å; D359-N361 PolarHBondContact OD1-N 2.97Å; D359-N361 PolarHBondContact OD2-ND2 3.07Å; D359-T362 PolarHBondContact N-OG1 3.14Å; D359-T362 PolarHBondContact O-N 3.29Å; D359-T362 PolarHBondContact O-OG1 3.04Å; D359-T362 VanDerWaalsContact OD1-CB 3.3Å; D359-T362 WeakPolarHBondContact OD1-CB 3.41Å; D359-T362 VanDerWaalsContact OD1-CG2 3.26Å; D359-T362 WeakPolarHBondContact OD1-CG2 3.43Å; D359-T362 PolarHBondContact OD1-N 3.44Å; D359-T362 PolarHBondContact OD1-OG1 3.48Å; D359-M363 WeakPolarHBondContact O-CB 3.29Å; D359-M363 WeakPolarHBondContact O-CG 3.37Å; D359-M363 PolarHBondContact O-N 3.05Å
360F82.6Confident88.3Confident20 Ų2039 Ų399%0.08821%0.208CC..Hα-helixtrans-57.4-34.2177.8-174.9-95000113.1S364 P398 F502 P514 Q515F360-S364 VanDerWaalsContact CE1-OG 3.31Å; F360-S364 WeakPolarHBondContact CE1-OG 3.47Å; F360-S364 WeakPolarHBondContact O-CB 3.31Å; F360-S364 PolarHBondContact O-N 3.15Å; F360-S364 PolarHBondContact O-OG 2.8Å; F360-P398 HydrophobicContact CB-CB 4.3Å; F360-F502 HydrophobicContact CE1-CB 3.45Å; F360-F502 VanDerWaalsContact CE1-CB 3.45Å; F360-F502 HydrophobicContact CE2-CB 4.42Å; F360-F502 HydrophobicContact CZ-CB 3.3Å; F360-F502 HydrophobicContact CZ-CG 4.11Å; F360-P514 HydrophobicContact CB-CB 4.17Å; F360-P514 HydrophobicContact CB-CG 4.13Å; F360-P514 HydrophobicContact CD1-CB 3.49Å; F360-P514 VanDerWaalsContact CD1-CB 3.49Å; F360-P514 HydrophobicContact CD1-CG 3.9Å; F360-P514 HydrophobicContact CD2-CB 3.57Å; F360-P514 HydrophobicContact CD2-CG 4.43Å; F360-P514 HydrophobicContact CE1-CB 3.7Å; F360-P514 HydrophobicContact CE1-CG 4.49Å; F360-P514 HydrophobicContact CE2-CB 3.76Å; F360-P514 HydrophobicContact CG-CB 3.43Å; F360-P514 VanDerWaalsContact CG-CB 3.43Å; F360-P514 HydrophobicContact CG-CG 3.88Å; F360-P514 HydrophobicContact CZ-CB 3.84Å; F360-Q515 HydrophobicContact CD2-CG 4.19Å
361N84.3Confident88.1Confident77 Ų7740.3 Ų40.341%0.41221%0.212SC..Hα-helixtrans-71.5-49.3-176.6-61.4-53.5000111.8D359 S364 E365D359-N361 PolarHBondContact O-N 3.37Å; D359-N361 PolarHBondContact OD1-N 2.97Å; D359-N361 PolarHBondContact OD2-ND2 3.07Å; N361-S364 WeakPolarHBondContact O-CB 3.27Å; N361-S364 PolarHBondContact O-N 2.7Å; N361-E365 PolarHBondContact O-N 2.93Å
362T87.5Confident87.9Confident29 Ų2943.6 Ų43.618%0.17823%0.233CC..Hα-helixtrans-65.8-42.6177.952.10000111.3V357 L358 D359 S364 E365 I366V357-T362 WeakPolarHBondContact O-CG2 3.39Å; V357-T362 PolarHBondContact O-OG1 3.13Å; L358-T362 WeakPolarHBondContact CA-OG1 3.46Å; D359-T362 PolarHBondContact N-OG1 3.14Å; D359-T362 PolarHBondContact O-N 3.29Å; D359-T362 PolarHBondContact O-OG1 3.04Å; D359-T362 VanDerWaalsContact OD1-CB 3.3Å; D359-T362 WeakPolarHBondContact OD1-CB 3.41Å; D359-T362 VanDerWaalsContact OD1-CG2 3.26Å; D359-T362 WeakPolarHBondContact OD1-CG2 3.43Å; D359-T362 PolarHBondContact OD1-N 3.44Å; D359-T362 PolarHBondContact OD1-OG1 3.48Å; T362-S364 VanDerWaalsContact C-N 3.31Å; T362-S364 PolarHBondContact O-N 3.42Å; T362-E365 PolarHBondContact O-N 2.86Å; T362-I366 VanDerWaalsContact O-CG1 3.3Å; T362-I366 WeakPolarHBondContact O-CG1 3.38Å; T362-I366 PolarHBondContact O-N 2.88Å
363M86.3Confident87.8Confident23 Ų2346.1 Ų46.111%0.11324%0.241CC..Hα-helixtrans-62.5-40173.7-73.3-174.972.200111.5L358 D359 I366 M367 L393 V396 P398L358-M363 HydrophobicContact CB-CG 4.27Å; L358-M363 HydrophobicContact CB-SD 4.46Å; L358-M363 HydrophobicContact CD2-CG 4.44Å; D359-M363 WeakPolarHBondContact O-CB 3.29Å; D359-M363 WeakPolarHBondContact O-CG 3.37Å; D359-M363 PolarHBondContact O-N 3.05Å; M363-I366 PolarHBondContact O-N 3.2Å; M363-M367 VanDerWaalsContact O-CG 3.24Å; M363-M367 WeakPolarHBondContact O-CG 3.28Å; M363-M367 PolarHBondContact O-N 3.1Å; M363-L393 HydrophobicContact CE-CB 4.26Å; M363-V396 HydrophobicContact SD-CG1 4.31Å; M363-P398 HydrophobicContact CE-CG 4.07Å; M363-P398 HydrophobicContact SD-CB 3.67Å; M363-P398 HydrophobicContact SD-CG 3.49Å; M363-P398 WeakPolarHBondContact SD-CG 3.43Å
364S83.1Confident87.8Confident5 Ų542.6 Ų42.64%0.03523%0.225CC..Hα-helixtrans-63-42.4174.2-62.60000111.5F360 N361 T362 M367 E368F360-S364 VanDerWaalsContact CE1-OG 3.31Å; F360-S364 WeakPolarHBondContact CE1-OG 3.47Å; F360-S364 WeakPolarHBondContact O-CB 3.31Å; F360-S364 PolarHBondContact O-N 3.15Å; F360-S364 PolarHBondContact O-OG 2.8Å; N361-S364 WeakPolarHBondContact O-CB 3.27Å; N361-S364 PolarHBondContact O-N 2.7Å; T362-S364 VanDerWaalsContact C-N 3.31Å; T362-S364 PolarHBondContact O-N 3.42Å; S364-M367 PolarHBondContact O-N 3.39Å; S364-E368 VanDerWaalsContact O-CB 3.23Å; S364-E368 WeakPolarHBondContact O-CB 3.24Å; S364-E368 WeakPolarHBondContact O-CG 3.44Å; S364-E368 PolarHBondContact O-N 2.91Å
365E86.1Confident87.9Confident106 Ų10642.4 Ų42.450%0.49522%0.223SC..Hα-helixtrans-62.3-43.2177.1-171.6178.7175.600111.9F350 N361 T362 E368 S369F350-E365 HydrophobicContact CE2-CG 4.13Å; F350-E365 HydrophobicContact CZ-CG 4.05Å; N361-E365 PolarHBondContact O-N 2.93Å; T362-E365 PolarHBondContact O-N 2.86Å; E365-E368 PolarHBondContact O-N 3.14Å; E365-S369 WeakPolarHBondContact O-CB 3.41Å; E365-S369 PolarHBondContact O-N 3.15Å
366I89.4Confident88Confident1 Ų139.4 Ų39.41%0.00521%0.207CC..Hα-helixtrans-58.6-49.3174.5-70.9164.9000110.5I352 L358 T362 M363 S369 I374 L388 V390 L393I352-I366 HydrophobicContact CD1-CD1 3.76Å; I352-I366 HydrophobicContact CD1-CG1 4.21Å; L358-I366 HydrophobicContact CD2-CD1 4.06Å; T362-I366 VanDerWaalsContact O-CG1 3.3Å; T362-I366 WeakPolarHBondContact O-CG1 3.38Å; T362-I366 PolarHBondContact O-N 2.88Å; M363-I366 PolarHBondContact O-N 3.2Å; I366-S369 WeakPolarHBondContact O-CB 3.21Å; I366-S369 PolarHBondContact O-N 2.95Å; I366-S369 PolarHBondContact O-OG 3.1Å; I366-I374 HydrophobicContact CB-CD1 4.34Å; I366-I374 HydrophobicContact CG1-CD1 4.27Å; I366-I374 HydrophobicContact CG2-CD1 3.59Å; I366-L388 HydrophobicContact CD1-CD2 4.05Å; I366-V390 HydrophobicContact CG2-CG2 3.99Å; I366-L393 HydrophobicContact CD1-CD1 4.13Å; I366-L393 HydrophobicContact CG2-CD1 3.92Å
367M84.4Confident88.2Confident99 Ų9940 Ų4049%0.48821%0.205SC..Hα-helixtrans-69.9-36-178.5-65.3-60.1-65.600112.5M363 S364 S369 G370 V390M363-M367 VanDerWaalsContact O-CG 3.24Å; M363-M367 WeakPolarHBondContact O-CG 3.28Å; M363-M367 PolarHBondContact O-N 3.1Å; S364-M367 PolarHBondContact O-N 3.39Å; M367-S369 VanDerWaalsContact C-N 3.29Å; M367-S369 PolarHBondContact O-N 2.88Å; M367-G370 PolarHBondContact O-N 3.02Å; M367-V390 HydrophobicContact CE-CG1 4.39Å; M367-V390 HydrophobicContact SD-CG1 3.52Å; M367-V390 VanDerWaalsContact SD-CG1 3.52Å
368E82.6Confident88.3Confident69 Ų6939.1 Ų39.132%0.32220%0.198SC..Hα-helixtrans-67.1-30.7175.4-77.8175.3-179.100111.9S364 E365 G370 F499 S500 K503S364-E368 VanDerWaalsContact O-CB 3.23Å; S364-E368 WeakPolarHBondContact O-CB 3.24Å; S364-E368 WeakPolarHBondContact O-CG 3.44Å; S364-E368 PolarHBondContact O-N 2.91Å; E365-E368 PolarHBondContact O-N 3.14Å; E368-G370 PolarHBondContact O-N 3.49Å; E368-F499 HydrophobicContact CG-CB 4.5Å; E368-F499 HydrophobicContact CG-CD2 4.45Å; E368-S500 PolarHBondContact OE1-N 3.06Å; E368-K503 IonicContact OE2-NZ 3.28Å
369S83.9Confident88.3Confident15 Ų1546.1 Ų46.111%0.10523%0.231CC..Hα-helixtrans-63.6-29.1178.181.10000113.1E365 I366 M367 Y371E365-S369 WeakPolarHBondContact O-CB 3.41Å; E365-S369 PolarHBondContact O-N 3.15Å; I366-S369 WeakPolarHBondContact O-CB 3.21Å; I366-S369 PolarHBondContact O-N 2.95Å; I366-S369 PolarHBondContact O-OG 3.1Å; M367-S369 VanDerWaalsContact C-N 3.29Å; M367-S369 PolarHBondContact O-N 2.88Å; S369-Y371 PolarHBondContact O-N 2.84Å; S369-Y371 PolarHBondContact OG-N 3.49Å
370G83.7Confident88.5Confident22 Ų2250 Ų5023%0.22725%0.248CC..  trans76.3-2.3-179.300000115.1M367 E368M367-G370 PolarHBondContact O-N 3.02Å; E368-G370 PolarHBondContact O-N 3.49Å
371Y88Confident89Confident80 Ų8054.8 Ų54.831%0.31427%0.265SS..  trans-82.2130.4-178.2-61.8-60.4000112.4F350 S369 V390F350-Y371 HydrophobicContact CB-CD2 3.74Å; F350-Y371 HydrophobicContact CB-CE2 3.58Å; F350-Y371 HydrophobicContact CD1-CD2 4.02Å; F350-Y371 HydrophobicContact CG-CD2 4.1Å; F350-Y371 HydrophobicContact CG-CE2 4.25Å; S369-Y371 PolarHBondContact O-N 2.84Å; S369-Y371 PolarHBondContact OG-N 3.49Å; Y371-V390 WeakPolarHBondContact O-CG2 3.33Å
372T89.4Confident89.3Confident81 Ų8153.4 Ų53.450%0.49726%0.262SS..SBendtrans-76.2-29179.1-63.80000113.3Y389 V390T372-Y389 WeakPolarHBondContact O-CA 3.28Å; T372-V390 PolarHBondContact O-N 3.08Å
373R91.8Very high89.6Confident70 Ų7055.9 Ų55.926%0.26427%0.274SS..EExtended strand (participates in β ladder)trans-129.2119.4-175.4-54.1-178.2-174.578.54.8108.9I387 L388 Y389 L438R373-I387 HydrophobicContact CB-CG2 4.17Å; R373-L388 WeakPolarHBondContact CA-O 3.45Å; R373-Y389 HydrophobicContact CB-CD1 4.07Å; R373-Y389 HydrophobicContact CB-CE1 4.05Å; R373-Y389 HydrophobicContact CG-CD1 3.68Å; R373-Y389 HydrophobicContact CG-CE1 3.57Å; R373-L438 HydrophobicContact CB-CD1 3.99Å
374I94.1Very high89.9Confident1 Ų155.5 Ų55.51%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-122.6120.3-172.2-60.6163.6000109.1F350 I352 I366 L388 V390F350-I374 HydrophobicContact CD1-CD1 4.28Å; F350-I374 HydrophobicContact CD1-CG1 4.21Å; F350-I374 HydrophobicContact CD1-CG2 3.97Å; F350-I374 HydrophobicContact CE1-CD1 3.96Å; F350-I374 HydrophobicContact CE1-CG1 4.38Å; F350-I374 HydrophobicContact CE1-CG2 4.12Å; I352-I374 HydrophobicContact CB-CG2 4.4Å; I352-I374 HydrophobicContact CG2-CG2 4.01Å; I366-I374 HydrophobicContact CB-CD1 4.34Å; I366-I374 HydrophobicContact CG1-CD1 4.27Å; I366-I374 HydrophobicContact CG2-CD1 3.59Å; I374-L388 HydrophobicContact CB-CB 4.48Å; I374-L388 PolarHBondContact N-O 3.01Å; I374-L388 PolarHBondContact O-N 3.5Å; I374-V390 HydrophobicContact CD1-CG2 4.27Å
375P95.1Very high90.4Very high3 Ų358.7 Ų58.72%0.01929%0.292CS..EExtended strand (participates in β ladder)trans-62.3136.6173.5-22.934.1000112.2M351 I352 I384 L459M351-P375 WeakPolarHBondContact CA-O 3.36Å; M351-P375 HydrophobicContact CE-CB 3.84Å; M351-P375 HydrophobicContact CG-CB 4.21Å; M351-P375 HydrophobicContact CG-CG 4.46Å; I352-P375 PolarHBondContact N-O 2.85Å; I352-P375 VanDerWaalsContact N-O 3.1Å; P375-I384 HydrophobicContact CB-CD1 4.31Å; P375-I384 HydrophobicContact CB-CG2 3.98Å; P375-L459 HydrophobicContact CG-CD2 3.97Å
376V94.8Very high90.7Very high1 Ų154.5 Ų54.51%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-109.2121.3177.3-173.20000109.1I352 A354 V385 D386 L388 L404 T408I352-V376 HydrophobicContact CG2-CB 4.45Å; I352-V376 HydrophobicContact CG2-CG1 4.45Å; I352-V376 HydrophobicContact CG2-CG2 3.83Å; I352-V376 VanDerWaalsContact O-CA 3.3Å; I352-V376 WeakPolarHBondContact O-CA 3.31Å; A354-V376 HydrophobicContact CB-CG1 3.77Å; V376-V385 PolarHBondContact O-N 3.35Å; V376-D386 HydrophobicContact CB-CB 4.02Å; V376-D386 WeakPolarHBondContact CB-O 3.43Å; V376-D386 HydrophobicContact CG2-CB 4.39Å; V376-D386 PolarHBondContact N-O 2.66Å; V376-D386 PolarHBondContact O-N 3.02Å; V376-L388 HydrophobicContact CG2-CB 3.83Å; V376-L404 HydrophobicContact CG1-CD2 3.98Å; V376-L404 HydrophobicContact CG2-CD2 4.22Å; V376-T408 HydrophobicContact CG1-CG2 4.49Å; V376-T408 HydrophobicContact CG2-CG2 4.07Å
377Y95Very high90.9Very high31 Ų3154.6 Ų54.612%0.12227%0.273CS..EExtended strand (participates in β ladder)trans-111.6153.3-178.471.6-89000112.4M351 I352 Q353 A354 E380 R381 N383M351-Y377 HydrophobicContact CB-CD1 3.79Å; M351-Y377 HydrophobicContact CB-CE1 4.03Å; M351-Y377 HydrophobicContact CE-CD1 4.24Å; I352-Y377 VanDerWaalsContact C-CE1 3.5Å; I352-Y377 VanDerWaalsContact O-CD1 3.24Å; I352-Y377 WeakPolarHBondContact O-CD1 3.47Å; I352-Y377 PolarHBondContact O-N 3.29Å; Q353-Y377 CarbonylContact C-O 3.48Å; Q353-Y377 WeakPolarHBondContact CA-O 3.31Å; Q353-Y377 HydrophobicContact CB-CE1 4.3Å; Q353-Y377 HydrophobicContact CB-CE2 4.15Å; Q353-Y377 HydrophobicContact CG-CE2 4.16Å; A354-Y377 WeakPolarHBondContact CB-O 3.39Å; A354-Y377 PolarHBondContact N-O 2.95Å; Y377-E380 WeakPolarHBondContact CD2-O 3.4Å; Y377-R381 HydrophobicContact CD1-CG 4.28Å; Y377-R381 HydrophobicContact CD2-CG 4.23Å; Y377-R381 HydrophobicContact CE1-CG 4.1Å; Y377-R381 HydrophobicContact CE2-CG 4.07Å; Y377-R381 HydrophobicContact CG-CG 4.33Å; Y377-N383 VanDerWaalsContact CA-O 3.24Å; Y377-N383 WeakPolarHBondContact CA-O 3.5Å; Y377-N383 WeakPolarHBondContact CB-O 3.46Å
378D94.1Very high91.3Very high48 Ų4849.9 Ų49.926%0.25725%0.25SC..SBendtrans-117.1122.6178.1-162.947.1000109.7E380 N383 V385 K405D378-E380 PolarHBondContact O-N 3.06Å; D378-N383 PolarHBondContact N-O 3.15Å; D378-N383 PolarHBondContact O-ND2 3.1Å; D378-V385 HydrophobicContact CB-CG2 3.74Å; D378-K405 IonicContact OD1-NZ 3.07Å; D378-K405 PolarHBondContact OD1-NZ 3.41Å
379E90.9Very high91.8Very high147 Ų14747.8 Ų47.869%0.68724%0.239SC*.SBendtrans58.6-64.8-173.1-57.6-65.9158.300114.5
380E92.4Very high92.1Very high123 Ų12348.6 Ų48.658%0.57524%0.243SC*.SBendtrans-107.8141.4-177.9-162.9-174155.800111.6Y377 D378 S382 N383Y377-E380 WeakPolarHBondContact CD2-O 3.4Å; D378-E380 PolarHBondContact O-N 3.06Å; E380-S382 PolarHBondContact O-N 3.12Å; E380-S382 VanDerWaalsContact O-N 3.17Å; E380-S382 WeakPolarHBondContact OE1-CB 3.32Å; E380-S382 PolarHBondContact OE1-OG 3Å; E380-N383 PolarHBondContact O-N 3.05Å
381R91.4Very high92.5Very high119 Ų11954.5 Ų54.545%0.44926%0.263SS..THydrogen-bonded Turntrans-61-25.2178-72-172168.5-163.6-4.8113.9M351 Y377 N383M351-R381 WeakPolarHBondContact CE-O 3.47Å; M351-R381 HydrophobicContact SD-CB 4.4Å; Y377-R381 HydrophobicContact CD1-CG 4.28Å; Y377-R381 HydrophobicContact CD2-CG 4.23Å; Y377-R381 HydrophobicContact CE1-CG 4.1Å; Y377-R381 HydrophobicContact CE2-CG 4.07Å; Y377-R381 HydrophobicContact CG-CG 4.33Å; R381-N383 PolarHBondContact O-N 2.96Å
382S91Very high92.6Very high48 Ų4851.1 Ų51.134%0.33625%0.25SC..THydrogen-bonded Turntrans-68.1-24.2175.4-44.90000112.1E380 I384 V456E380-S382 PolarHBondContact O-N 3.12Å; E380-S382 VanDerWaalsContact O-N 3.17Å; E380-S382 WeakPolarHBondContact OE1-CB 3.32Å; E380-S382 PolarHBondContact OE1-OG 3Å; S382-I384 PolarHBondContact O-N 2.98Å; S382-V456 VanDerWaalsContact O-CG2 3.22Å; S382-V456 WeakPolarHBondContact O-CG2 3.23Å
383N93.4Very high92.6Very high81 Ų8147.7 Ų47.743%0.43323%0.229SC..  trans-98.883.1-176-177.628.4000111.2Y377 D378 E380 R381Y377-N383 VanDerWaalsContact CA-O 3.24Å; Y377-N383 WeakPolarHBondContact CA-O 3.5Å; Y377-N383 WeakPolarHBondContact CB-O 3.46Å; D378-N383 PolarHBondContact N-O 3.15Å; D378-N383 PolarHBondContact O-ND2 3.1Å; E380-N383 PolarHBondContact O-N 3.05Å; R381-N383 PolarHBondContact O-N 2.96Å
384I94.3Very high92.5Very high15 Ų1548.1 Ų48.18%0.07725%0.247CC..EExtended strand (participates in β ladder)trans-88.3118179.6-54.7172.4000109.6L346 M351 P375 S382 I440 V456L346-I384 HydrophobicContact CD1-CD1 4.33Å; M351-I384 HydrophobicContact CE-CD1 3.49Å; M351-I384 VanDerWaalsContact CE-CD1 3.49Å; M351-I384 HydrophobicContact CE-CG1 3.45Å; M351-I384 VanDerWaalsContact CE-CG1 3.45Å; P375-I384 HydrophobicContact CB-CD1 4.31Å; P375-I384 HydrophobicContact CB-CG2 3.98Å; S382-I384 PolarHBondContact O-N 2.98Å; I384-I440 HydrophobicContact CB-CD1 3.66Å; I384-I440 HydrophobicContact CD1-CD1 3.74Å; I384-I440 HydrophobicContact CD1-CG1 4.28Å; I384-I440 HydrophobicContact CD1-CG2 4Å; I384-I440 HydrophobicContact CG1-CD1 4.28Å; I384-I440 HydrophobicContact CG2-CD1 3.38Å; I384-V456 HydrophobicContact CD1-CG1 4.1Å
385V91.8Very high92.1Very high73 Ų7357.1 Ų57.144%0.44229%0.287SS..EExtended strand (participates in β ladder)trans-102.1-37.9-173.5-176.70000111.8V376 D378 V415V376-V385 PolarHBondContact O-N 3.35Å; D378-V385 HydrophobicContact CB-CG2 3.74Å; V385-V415 WeakPolarHBondContact O-CG2 3.44Å
386D92.9Very high91.7Very high18 Ų1857.9 Ų57.910%0.09629%0.291CS..EExtended strand (participates in β ladder)trans-142.8168.2-171.7-100-44.5000111.6V376 T408V376-D386 HydrophobicContact CB-CB 4.02Å; V376-D386 WeakPolarHBondContact CB-O 3.43Å; V376-D386 HydrophobicContact CG2-CB 4.39Å; V376-D386 PolarHBondContact N-O 2.66Å; V376-D386 PolarHBondContact O-N 3.02Å; D386-T408 HydrophobicContact CB-CG2 4.26Å; D386-T408 VanDerWaalsContact OD2-CB 3.3Å; D386-T408 WeakPolarHBondContact OD2-CB 3.31Å; D386-T408 PolarHBondContact OD2-OG1 3.33Å
387I93.3Very high91.2Very high2 Ų261 Ų611%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-122.5126.9169.4-61.6166000108.6R373 Y389 H413 V415 L438R373-I387 HydrophobicContact CB-CG2 4.17Å; I387-Y389 HydrophobicContact CG2-CD1 3.88Å; I387-Y389 HydrophobicContact CG2-CE1 3.62Å; I387-H413 PolarHBondContact O-CD2 3.3Å; I387-V415 HydrophobicContact CD1-CG1 4.4Å; I387-V415 HydrophobicContact CD1-CG2 4.43Å; I387-V415 HydrophobicContact CG1-CG2 4.25Å; I387-L438 HydrophobicContact CD1-CD2 3.96Å
388L93.5Very high90.7Very high1 Ų160.3 Ų60.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-88.7127.7172.5176.663.8000109.7I366 R373 I374 V376 L393 L404 I407I366-L388 HydrophobicContact CD1-CD2 4.05Å; R373-L388 WeakPolarHBondContact CA-O 3.45Å; I374-L388 HydrophobicContact CB-CB 4.48Å; I374-L388 PolarHBondContact N-O 3.01Å; I374-L388 PolarHBondContact O-N 3.5Å; V376-L388 HydrophobicContact CG2-CB 3.83Å; L388-L393 HydrophobicContact CD1-CD2 4.16Å; L388-L393 HydrophobicContact CD1-CG 4.48Å; L388-L393 HydrophobicContact CD2-CD1 4.45Å; L388-L404 HydrophobicContact CD1-CD1 3.88Å; L388-L404 HydrophobicContact CD2-CD1 3.82Å; L388-L404 HydrophobicContact CG-CD1 4.32Å; L388-I407 HydrophobicContact CD1-CG2 4.35Å
389Y92.9Very high89.9Confident25 Ų2561.4 Ų61.410%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-97.1133.6166.4-63.6-18.3000110.2T372 R373 I387 K391 D392 H413T372-Y389 WeakPolarHBondContact O-CA 3.28Å; R373-Y389 HydrophobicContact CB-CD1 4.07Å; R373-Y389 HydrophobicContact CB-CE1 4.05Å; R373-Y389 HydrophobicContact CG-CD1 3.68Å; R373-Y389 HydrophobicContact CG-CE1 3.57Å; I387-Y389 HydrophobicContact CG2-CD1 3.88Å; I387-Y389 HydrophobicContact CG2-CE1 3.62Å; Y389-K391 PolarHBondContact O-N 3.34Å; Y389-K391 VanDerWaalsContact O-N 3.14Å; Y389-D392 WeakPolarHBondContact CB-OD2 3.42Å; Y389-D392 PolarHBondContact N-OD2 3.22Å; Y389-D392 WeakPolarHBondContact O-CB 3.43Å; Y389-D392 PolarHBondContact O-N 3.04Å; Y389-H413 AromaticContact CD2-CD2 3.76Å; Y389-H413 AromaticContact CD2-CE1 3.42Å; Y389-H413 VanDerWaalsContact CD2-CE1 3.42Å; Y389-H413 WeakPolarHBondContact CD2-CE1 3.46Å; Y389-H413 AromaticContact CD2-CG 3.93Å; Y389-H413 AromaticContact CD2-ND1 3.72Å; Y389-H413 AromaticContact CD2-NE2 3.42Å; Y389-H413 WeakPolarHBondContact CD2-NE2 3.41Å; Y389-H413 AromaticContact CE2-CE1 3.71Å; Y389-H413 AromaticContact CE2-CG 3.81Å; Y389-H413 AromaticContact CE2-ND1 3.52Å; Y389-H413 AromaticContact CG-CD2 3.99Å; Y389-H413 AromaticContact CG-NE2 3.87Å
390V90.8Very high89.8Confident31 Ų3159.9 Ų59.919%0.18831%0.309CS..G310 helixtrans-58.7-32.1-179.4174.20000112.2I366 M367 Y371 T372 I374 D392 L393I366-V390 HydrophobicContact CG2-CG2 3.99Å; M367-V390 HydrophobicContact CE-CG1 4.39Å; M367-V390 HydrophobicContact SD-CG1 3.52Å; M367-V390 VanDerWaalsContact SD-CG1 3.52Å; Y371-V390 WeakPolarHBondContact O-CG2 3.33Å; T372-V390 PolarHBondContact O-N 3.08Å; I374-V390 HydrophobicContact CD1-CG2 4.27Å; V390-D392 PolarHBondContact O-N 3.17Å; V390-L393 WeakPolarHBondContact O-CB 3.48Å; V390-L393 PolarHBondContact O-N 3.05Å; V390-L393 VanDerWaalsContact O-N 3.11Å
391K90.8Very high89.4Confident147 Ų14757.4 Ų57.464%0.63931%0.305SS*.G310 helixtrans-61.7-23.3175.672.3-176.3-179.6179.40113.8Y389 L393 A394Y389-K391 PolarHBondContact O-N 3.34Å; Y389-K391 VanDerWaalsContact O-N 3.14Å; K391-L393 PolarHBondContact O-N 3.17Å; K391-A394 VanDerWaalsContact O-CB 3.22Å; K391-A394 WeakPolarHBondContact O-CB 3.47Å; K391-A394 PolarHBondContact O-N 3.2Å
392D91.3Very high89.3Confident8 Ų853.6 Ų53.64%0.04330%0.295CS..G310 helixtrans-72.6-22.2179.6-57.9-20.2000111.5Y389 V390 A394 I407 Y411 H413Y389-D392 WeakPolarHBondContact CB-OD2 3.42Å; Y389-D392 PolarHBondContact N-OD2 3.22Å; Y389-D392 WeakPolarHBondContact O-CB 3.43Å; Y389-D392 PolarHBondContact O-N 3.04Å; V390-D392 PolarHBondContact O-N 3.17Å; D392-A394 PolarHBondContact O-N 2.93Å; D392-I407 HydrophobicContact CB-CG2 4.31Å; D392-Y411 HydrophobicContact CB-CD2 3.71Å; D392-Y411 HydrophobicContact CB-CE2 3.51Å; D392-Y411 HydrophobicContact CB-CG 4.34Å; D392-H413 IonicContact OD1-CE1 3.96Å; D392-H413 IonicContact OD1-NE2 3.44Å; D392-H413 PolarHBondContact OD1-NE2 3.41Å; D392-H413 IonicContact OD2-CD2 3.33Å; D392-H413 PolarHBondContact OD2-CD2 3.47Å; D392-H413 IonicContact OD2-CE1 3.8Å; D392-H413 IonicContact OD2-NE2 2.65Å; D392-H413 PolarHBondContact OD2-NE2 2.87Å
393L89.6Confident89.4Confident10 Ų1054 Ų545%0.05229%0.293CS..G310 helixtrans-77.3-3.9175.9-56.3179.6000112.9L358 M363 I366 L388 V390 K391 F395 V396L358-L393 HydrophobicContact CD1-CD2 3.76Å; L358-L393 HydrophobicContact CD2-CD2 4.26Å; M363-L393 HydrophobicContact CE-CB 4.26Å; I366-L393 HydrophobicContact CD1-CD1 4.13Å; I366-L393 HydrophobicContact CG2-CD1 3.92Å; L388-L393 HydrophobicContact CD1-CD2 4.16Å; L388-L393 HydrophobicContact CD1-CG 4.48Å; L388-L393 HydrophobicContact CD2-CD1 4.45Å; V390-L393 WeakPolarHBondContact O-CB 3.48Å; V390-L393 PolarHBondContact O-N 3.05Å; V390-L393 VanDerWaalsContact O-N 3.11Å; K391-L393 PolarHBondContact O-N 3.17Å; L393-F395 PolarHBondContact O-N 3.42Å; L393-V396 HydrophobicContact CD2-CG2 4.31Å; L393-V396 PolarHBondContact O-N 2.93Å; L393-V396 VanDerWaalsContact O-N 3.08Å
394A88.2Confident89.3Confident78 Ų7850.1 Ų50.165%0.64527%0.273SS*.G310 helixtrans-61.4-28.7-174.700000114.3K391 D392K391-A394 VanDerWaalsContact O-CB 3.22Å; K391-A394 WeakPolarHBondContact O-CB 3.47Å; K391-A394 PolarHBondContact O-N 3.2Å; D392-A394 PolarHBondContact O-N 2.93Å
395F86.8Confident89.1Confident191 Ų19151.9 Ų51.984%0.83828%0.28SS*.G310 helixtrans-108.811.4178-61.6-73.1000112.8L393L393-F395 PolarHBondContact O-N 3.42Å
396V87.2Confident89.1Confident19 Ų1952.7 Ų52.712%0.11529%0.285CS..  trans-92.9121.6178.5-179.30000108.3L358 M363 L393 P398 T402 I407L358-V396 HydrophobicContact CB-CG1 4.44Å; L358-V396 HydrophobicContact CD1-CG1 4.22Å; M363-V396 HydrophobicContact SD-CG1 4.31Å; L393-V396 HydrophobicContact CD2-CG2 4.31Å; L393-V396 PolarHBondContact O-N 2.93Å; L393-V396 VanDerWaalsContact O-N 3.08Å; V396-P398 WeakPolarHBondContact O-CD 3.16Å; V396-T402 WeakPolarHBondContact CG1-OG1 3.32Å; V396-I407 HydrophobicContact CG2-CD1 3.73Å; V396-I407 HydrophobicContact CG2-CG1 4.23Å
397D84.3Confident89.1Confident65 Ų6552.9 Ų52.935%0.34829%0.286SS..  trans-87.1117.9172.2-168.6-35.7000109D399 D400 Q515D397-D399 PolarHBondContact O-N 3.31Å; D397-D399 VanDerWaalsContact O-N 3.11Å; D397-D399 VanDerWaalsContact OD1-CB 3.29Å; D397-D399 WeakPolarHBondContact OD1-CB 3.2Å; D397-D399 PolarHBondContact OD1-N 3.31Å; D397-D400 WeakPolarHBondContact O-CB 3.49Å; D397-D400 PolarHBondContact O-N 3.01Å; D397-D400 VanDerWaalsContact O-N 3.13Å; D397-Q515 VanDerWaalsContact OD1-CD 3.32Å; D397-Q515 PolarHBondContact OD1-NE2 3.09Å; D397-Q515 PolarHBondContact OD1-OE1 3.49Å
398P83.3Confident88.9Confident17 Ų1753.2 Ų53.211%0.1129%0.288CS..THydrogen-bonded Turntrans-58.6-15.9175.3-7.85.1000115.5F360 M363 V396 D400 Q515F360-P398 HydrophobicContact CB-CB 4.3Å; M363-P398 HydrophobicContact CE-CG 4.07Å; M363-P398 HydrophobicContact SD-CB 3.67Å; M363-P398 HydrophobicContact SD-CG 3.49Å; M363-P398 WeakPolarHBondContact SD-CG 3.43Å; V396-P398 WeakPolarHBondContact O-CD 3.16Å; P398-D400 VanDerWaalsContact C-N 3.33Å; P398-Q515 VanDerWaalsContact C-NE2 3.26Å; P398-Q515 VanDerWaalsContact CA-NE2 3.32Å; P398-Q515 HydrophobicContact CB-CG 4.22Å; P398-Q515 HydrophobicContact CG-CG 3.72Å; P398-Q515 VanDerWaalsContact N-NE2 3.13Å
399D78.5Confident88.7Confident71 Ų7160.6 Ų60.638%0.3832%0.32SS..THydrogen-bonded Turntrans-81.8-22.1-178.5-71.4-6.7000109.5D397 C401 T513 Q515D397-D399 PolarHBondContact O-N 3.31Å; D397-D399 VanDerWaalsContact O-N 3.11Å; D397-D399 VanDerWaalsContact OD1-CB 3.29Å; D397-D399 WeakPolarHBondContact OD1-CB 3.2Å; D397-D399 PolarHBondContact OD1-N 3.31Å; D399-C401 PolarHBondContact O-N 3.47Å; D399-T513 WeakPolarHBondContact OD1-CB 3.4Å; D399-T513 WeakPolarHBondContact OD2-CB 3.09Å; D399-T513 PolarHBondContact OD2-OG1 3.45Å; D399-Q515 PolarHBondContact OD1-NE2 2.87Å
400D87.6Confident88.7Confident115 Ų11566.9 Ų66.962%0.61535%0.348SS*.SBendtrans-74.1-15174-73-21.4000112.5D397 P398 T402D397-D400 WeakPolarHBondContact O-CB 3.49Å; D397-D400 PolarHBondContact O-N 3.01Å; D397-D400 VanDerWaalsContact O-N 3.13Å; P398-D400 VanDerWaalsContact C-N 3.33Å; D400-T402 HydrophobicContact CB-CG2 3.76Å; D400-T402 PolarHBondContact O-N 3.45Å
401C84.7Confident88.7Confident71 Ų7169.2 Ų69.248%0.4835%0.354SS..  trans46.847.7-177.9-690000111.8V357 D399V357-C401 HydrophobicContact CG1-CB 3.74Å; V357-C401 VanDerWaalsContact CG1-O 3.31Å; V357-C401 WeakPolarHBondContact CG1-O 3.44Å; D399-C401 PolarHBondContact O-N 3.47Å
402T89.3Confident88.6Confident39 Ų3967.8 Ų67.824%0.23935%0.353CS..EExtended strand (participates in β ladder)trans-67.1142-176.961.50000111L358 V396 D400L358-T402 WeakPolarHBondContact CB-O 3.21Å; L358-T402 PolarHBondContact N-O 3.21Å; V396-T402 WeakPolarHBondContact CG1-OG1 3.32Å; D400-T402 HydrophobicContact CB-CG2 3.76Å; D400-T402 PolarHBondContact O-N 3.45Å
403N92.4Very high88.6Confident57 Ų5768.8 Ų68.831%0.30536%0.358SS..EExtended strand (participates in β ladder)trans-76.8132.4175.8-169.1-26.4000109.8A354 A356 K405 T406A354-N403 PolarHBondContact O-OD1 2.84Å; A356-N403 PolarHBondContact O-OD1 2.71Å; N403-K405 PolarHBondContact O-N 3.09Å; N403-K405 PolarHBondContact OD1-N 3.09Å; N403-T406 VanDerWaalsContact O-CB 3.27Å; N403-T406 WeakPolarHBondContact O-CB 3.48Å; N403-T406 PolarHBondContact O-N 3.32Å; N403-T406 PolarHBondContact O-OG1 3Å
404L92.1Very high88.6Confident0 Ų072 Ų720%038%0.379CS..Hα-helixtrans-54.6-36.9179.817762.4000112.2I352 A356 L358 V376 L388 T406 I407 T408I352-L404 HydrophobicContact CB-CD2 4.35Å; I352-L404 HydrophobicContact CD1-CD2 4.03Å; I352-L404 HydrophobicContact CG1-CD2 3.95Å; I352-L404 HydrophobicContact CG2-CD2 3.51Å; A356-L404 VanDerWaalsContact O-CB 3.24Å; A356-L404 WeakPolarHBondContact O-CB 3.38Å; A356-L404 PolarHBondContact O-N 2.7Å; L358-L404 HydrophobicContact CD1-CB 4.5Å; L358-L404 HydrophobicContact CD1-CD1 4.17Å; L358-L404 HydrophobicContact CD2-CB 4.45Å; L358-L404 HydrophobicContact CD2-CD1 4.23Å; L358-L404 HydrophobicContact CG-CB 4.24Å; L358-L404 HydrophobicContact CG-CD1 4.47Å; V376-L404 HydrophobicContact CG1-CD2 3.98Å; V376-L404 HydrophobicContact CG2-CD2 4.22Å; L388-L404 HydrophobicContact CD1-CD1 3.88Å; L388-L404 HydrophobicContact CD2-CD1 3.82Å; L388-L404 HydrophobicContact CG-CD1 4.32Å; L404-T406 PolarHBondContact O-N 2.78Å; L404-I407 PolarHBondContact O-N 3.13Å; L404-T408 HydrophobicContact CD1-CG2 3.8Å; L404-T408 HydrophobicContact CG-CG2 3.89Å; L404-T408 PolarHBondContact O-N 3.01Å
405K90.7Very high88.7Confident51 Ų5169.9 Ų69.922%0.22236%0.358CS..Hα-helixtrans-52.7-28.9174.9-65.3-161.1164.1164.80113.1A354 D355 D378 N403 T408 K409A354-K405 HydrophobicContact CB-CD 4.38Å; A354-K405 HydrophobicContact CB-CG 4.1Å; A354-K405 WeakPolarHBondContact O-CG 3.49Å; A354-K405 PolarHBondContact O-N 3.46Å; D355-K405 VanDerWaalsContact CG-CE 3.41Å; D355-K405 WeakPolarHBondContact OD1-CD 3.46Å; D355-K405 WeakPolarHBondContact OD1-CE 3.45Å; D355-K405 IonicContact OD1-NZ 2.72Å; D355-K405 PolarHBondContact OD1-NZ 3.25Å; D355-K405 IonicContact OD2-NZ 2.8Å; D355-K405 PolarHBondContact OD2-NZ 3.12Å; D378-K405 IonicContact OD1-NZ 3.07Å; D378-K405 PolarHBondContact OD1-NZ 3.41Å; N403-K405 PolarHBondContact O-N 3.09Å; N403-K405 PolarHBondContact OD1-N 3.09Å; K405-T408 PolarHBondContact O-OG1 2.75Å; K405-K409 VanDerWaalsContact O-CB 3.23Å; K405-K409 WeakPolarHBondContact O-CB 3.24Å; K405-K409 WeakPolarHBondContact O-CD 3.27Å; K405-K409 WeakPolarHBondContact O-CG 3.22Å; K405-K409 PolarHBondContact O-N 3.16Å
406T91.3Very high89Confident90 Ų9062 Ų6255%0.55232%0.324SS*.Hα-helixtrans-73.4-42.3179.3-45.20000111N403 L404 F410N403-T406 VanDerWaalsContact O-CB 3.27Å; N403-T406 WeakPolarHBondContact O-CB 3.48Å; N403-T406 PolarHBondContact O-N 3.32Å; N403-T406 PolarHBondContact O-OG1 3Å; L404-T406 PolarHBondContact O-N 2.78Å; T406-F410 VanDerWaalsContact O-CB 3.3Å; T406-F410 WeakPolarHBondContact O-CB 3.45Å; T406-F410 PolarHBondContact O-N 2.83Å; T406-F410 VanDerWaalsContact O-N 3.09Å
407I92.3Very high89.2Confident23 Ų2365.4 Ų65.412%0.11834%0.337CS..Hα-helixtrans-70.2-46.5179.7-57.1-57.1000110.2L358 L388 D392 V396 L404 K409 F410 Y411L358-I407 HydrophobicContact CD1-CG1 3.76Å; L388-I407 HydrophobicContact CD1-CG2 4.35Å; D392-I407 HydrophobicContact CB-CG2 4.31Å; V396-I407 HydrophobicContact CG2-CD1 3.73Å; V396-I407 HydrophobicContact CG2-CG1 4.23Å; L404-I407 PolarHBondContact O-N 3.13Å; I407-K409 PolarHBondContact O-N 3.1Å; I407-F410 PolarHBondContact O-N 2.85Å; I407-F410 VanDerWaalsContact O-N 3.16Å; I407-Y411 HydrophobicContact CG2-CD2 3.84Å; I407-Y411 HydrophobicContact CG2-CE2 3.98Å; I407-Y411 WeakPolarHBondContact O-CD2 3.47Å; I407-Y411 PolarHBondContact O-N 2.87Å; I407-Y411 VanDerWaalsContact O-N 3.08Å
408T89.6Confident89.7Confident9 Ų962.6 Ų62.66%0.05532%0.322CS..Hα-helixtrans-64.5-42.4-179.767.80000111.5V376 D386 L404 K405 F410 Y411 N412V376-T408 HydrophobicContact CG1-CG2 4.49Å; V376-T408 HydrophobicContact CG2-CG2 4.07Å; D386-T408 HydrophobicContact CB-CG2 4.26Å; D386-T408 VanDerWaalsContact OD2-CB 3.3Å; D386-T408 WeakPolarHBondContact OD2-CB 3.31Å; D386-T408 PolarHBondContact OD2-OG1 3.33Å; L404-T408 HydrophobicContact CD1-CG2 3.8Å; L404-T408 HydrophobicContact CG-CG2 3.89Å; L404-T408 PolarHBondContact O-N 3.01Å; K405-T408 PolarHBondContact O-OG1 2.75Å; T408-F410 VanDerWaalsContact C-N 3.3Å; T408-F410 PolarHBondContact O-N 2.9Å; T408-Y411 PolarHBondContact O-N 3.3Å; T408-N412 VanDerWaalsContact O-CA 3.29Å; T408-N412 WeakPolarHBondContact O-CA 3.3Å; T408-N412 PolarHBondContact O-N 2.94Å
409K90Very high90.3Very high156 Ų15665.7 Ų65.768%0.67833%0.334SS*.Hα-helixtrans-64.4-31.6174.2-74.5176.2-176.6177.40113.7K405 I407K405-K409 VanDerWaalsContact O-CB 3.23Å; K405-K409 WeakPolarHBondContact O-CB 3.24Å; K405-K409 WeakPolarHBondContact O-CD 3.27Å; K405-K409 WeakPolarHBondContact O-CG 3.22Å; K405-K409 PolarHBondContact O-N 3.16Å; I407-K409 PolarHBondContact O-N 3.1Å
410F92.4Very high91.1Very high156 Ų15664.1 Ų64.168%0.68433%0.325SS*.Hα-helixtrans-71.1-46.8179.5178-95.1000111.8T406 I407 T408T406-F410 VanDerWaalsContact O-CB 3.3Å; T406-F410 WeakPolarHBondContact O-CB 3.45Å; T406-F410 PolarHBondContact O-N 2.83Å; T406-F410 VanDerWaalsContact O-N 3.09Å; I407-F410 PolarHBondContact O-N 2.85Å; I407-F410 VanDerWaalsContact O-N 3.16Å; T408-F410 VanDerWaalsContact C-N 3.3Å; T408-F410 PolarHBondContact O-N 2.9Å
411Y90.4Very high91.4Very high81 Ų8163.3 Ų63.332%0.31832%0.32SS..Hα-helixtrans-85.1-33.7-178.8-71.9-76.1000113.6D392 I407 T408 H413D392-Y411 HydrophobicContact CB-CD2 3.71Å; D392-Y411 HydrophobicContact CB-CE2 3.51Å; D392-Y411 HydrophobicContact CB-CG 4.34Å; I407-Y411 HydrophobicContact CG2-CD2 3.84Å; I407-Y411 HydrophobicContact CG2-CE2 3.98Å; I407-Y411 WeakPolarHBondContact O-CD2 3.47Å; I407-Y411 PolarHBondContact O-N 2.87Å; I407-Y411 VanDerWaalsContact O-N 3.08Å; T408-Y411 PolarHBondContact O-N 3.3Å; Y411-H413 PolarHBondContact O-N 3.29Å
412N90Very high91.9Very high117 Ų11761.3 Ų61.363%0.62631%0.306SS*.  trans46.459175.8-168.647.2000112.9T408T408-N412 VanDerWaalsContact O-CA 3.29Å; T408-N412 WeakPolarHBondContact O-CA 3.3Å; T408-N412 PolarHBondContact O-N 2.94Å
413H91.1Very high92.2Very high29 Ų2963.4 Ų63.413%0.13431%0.312CS..PPolyproline II helixtrans-68.2136.9-178.9-67.3-57.4000111I387 Y389 D392 Y411 V415I387-H413 PolarHBondContact O-CD2 3.3Å; Y389-H413 AromaticContact CD2-CD2 3.76Å; Y389-H413 AromaticContact CD2-CE1 3.42Å; Y389-H413 VanDerWaalsContact CD2-CE1 3.42Å; Y389-H413 WeakPolarHBondContact CD2-CE1 3.46Å; Y389-H413 AromaticContact CD2-CG 3.93Å; Y389-H413 AromaticContact CD2-ND1 3.72Å; Y389-H413 AromaticContact CD2-NE2 3.42Å; Y389-H413 WeakPolarHBondContact CD2-NE2 3.41Å; Y389-H413 AromaticContact CE2-CE1 3.71Å; Y389-H413 AromaticContact CE2-CG 3.81Å; Y389-H413 AromaticContact CE2-ND1 3.52Å; Y389-H413 AromaticContact CG-CD2 3.99Å; Y389-H413 AromaticContact CG-NE2 3.87Å; D392-H413 IonicContact OD1-CE1 3.96Å; D392-H413 IonicContact OD1-NE2 3.44Å; D392-H413 PolarHBondContact OD1-NE2 3.41Å; D392-H413 IonicContact OD2-CD2 3.33Å; D392-H413 PolarHBondContact OD2-CD2 3.47Å; D392-H413 IonicContact OD2-CE1 3.8Å; D392-H413 IonicContact OD2-NE2 2.65Å; D392-H413 PolarHBondContact OD2-NE2 2.87Å; Y411-H413 PolarHBondContact O-N 3.29Å; H413-V415 PolarHBondContact O-N 3.5Å
414P89.1Confident92.3Very high77 Ų7760.7 Ų60.750%0.530%0.297SS..PPolyproline II helixtrans-69.4127-177.628.3-34.3000111.3
415V90.3Very high92.4Very high34 Ų3463.7 Ų63.721%0.20631%0.313CS..PPolyproline II helixtrans-83.4120.7171.9-171.60000109.5V385 I387 H413 F417 I440V385-V415 WeakPolarHBondContact O-CG2 3.44Å; I387-V415 HydrophobicContact CD1-CG1 4.4Å; I387-V415 HydrophobicContact CD1-CG2 4.43Å; I387-V415 HydrophobicContact CG1-CG2 4.25Å; H413-V415 PolarHBondContact O-N 3.5Å; V415-F417 HydrophobicContact CB-CE2 3.86Å; V415-F417 HydrophobicContact CB-CZ 4.36Å; V415-F417 HydrophobicContact CG1-CD2 4.07Å; V415-F417 HydrophobicContact CG1-CE1 4.26Å; V415-F417 HydrophobicContact CG1-CE2 3.43Å; V415-F417 VanDerWaalsContact CG1-CE2 3.43Å; V415-F417 HydrophobicContact CG1-CZ 3.54Å; V415-I440 HydrophobicContact CG1-CD1 3.21Å; V415-I440 HydrophobicContact CG1-CG1 4.07Å
416H91.9Very high92.6Very high26 Ų2663.2 Ų63.212%0.1232%0.319CS..  trans-97.4113.2-179-164.5-90.9000110.4V418 E430 A439 I440H416-V418 WeakPolarHBondContact ND1-CG2 3.38Å; H416-E430 IonicContact CE1-OE2 3.28Å; H416-E430 PolarHBondContact CE1-OE2 3.17Å; H416-E430 VanDerWaalsContact CE1-OE2 3.28Å; H416-A439 HydrophobicContact CB-CB 4.32Å; H416-A439 CarbonylContact O-C 3.53Å; H416-A439 WeakPolarHBondContact O-CA 3.11Å; H416-A439 WeakPolarHBondContact O-CB 3.48Å; H416-I440 PolarHBondContact O-N 3.28Å
417F92.9Very high92.7Very high89 Ų8959 Ų5939%0.3929%0.293SS..EExtended strand (participates in β ladder)trans-99.8137.4178.2-68.2-84.6000111.3V415 I440 Q442V415-F417 HydrophobicContact CB-CE2 3.86Å; V415-F417 HydrophobicContact CB-CZ 4.36Å; V415-F417 HydrophobicContact CG1-CD2 4.07Å; V415-F417 HydrophobicContact CG1-CE1 4.26Å; V415-F417 HydrophobicContact CG1-CE2 3.43Å; V415-F417 VanDerWaalsContact CG1-CE2 3.43Å; V415-F417 HydrophobicContact CG1-CZ 3.54Å; F417-I440 WeakPolarHBondContact CA-O 3.43Å; F417-I440 HydrophobicContact CD1-CB 3.78Å; F417-I440 HydrophobicContact CD1-CD1 4.47Å; F417-I440 HydrophobicContact CD1-CG2 3.94Å; F417-I440 HydrophobicContact CE1-CB 3.9Å; F417-I440 HydrophobicContact CE1-CD1 3.82Å; F417-I440 HydrophobicContact CE1-CG1 4.46Å; F417-I440 HydrophobicContact CE1-CG2 3.83Å; F417-I440 HydrophobicContact CZ-CD1 4.07Å; F417-Q442 VanDerWaalsContact CD1-OE1 3.31Å
418V94.6Very high92.7Very high6 Ų659.4 Ų59.44%0.03630%0.295CS..EExtended strand (participates in β ladder)trans-136.7146.9-179.5-179.60000109.7V339 H416 T422 M427 A439 I440 V441 Q442V339-V418 HydrophobicContact CG2-CG1 4.39Å; H416-V418 WeakPolarHBondContact ND1-CG2 3.38Å; V418-T422 HydrophobicContact CG1-CG2 3.87Å; V418-T422 WeakPolarHBondContact CG1-OG1 3.35Å; V418-M427 HydrophobicContact CB-CE 4.43Å; V418-M427 HydrophobicContact CB-SD 4.19Å; V418-M427 HydrophobicContact CG1-SD 3.74Å; V418-M427 HydrophobicContact CG2-CE 3.81Å; V418-M427 HydrophobicContact CG2-SD 3.75Å; V418-A439 HydrophobicContact CG2-CB 3.96Å; V418-I440 PolarHBondContact N-O 3.03Å; V418-V441 WeakPolarHBondContact O-CA 3.38Å; V418-Q442 PolarHBondContact O-N 3.2Å
419F95.8Very high92.8Very high82 Ų8264 Ų6436%0.3632%0.316SS..EExtended strand (participates in β ladder)trans-81.1145.8177.3-62.9-69.5000112.1D421 T422 Q442 V444 Y454F419-D421 WeakPolarHBondContact CB-OD1 3.41Å; F419-D421 PolarHBondContact O-N 3.46Å; F419-T422 WeakPolarHBondContact O-CB 3.38Å; F419-T422 PolarHBondContact O-N 3.44Å; F419-T422 VanDerWaalsContact O-N 3.08Å; F419-T422 PolarHBondContact O-OG1 3.38Å; F419-Q442 WeakPolarHBondContact CA-O 3.02Å; F419-Q442 HydrophobicContact CD1-CG 4.13Å; F419-Q442 HydrophobicContact CE1-CG 4.26Å; F419-V444 HydrophobicContact CD1-CG2 4.17Å; F419-V444 HydrophobicContact CE1-CG2 3.78Å; F419-Y454 HydrophobicContact CE1-CD1 4.15Å; F419-Y454 AromaticContact CE1-CE1 3.72Å; F419-Y454 HydrophobicContact CE1-CE1 3.72Å; F419-Y454 HydrophobicContact CZ-CE1 4.17Å
420H94.8Very high92.9Very high39 Ų3959.8 Ų59.818%0.18130%0.299CS..THydrogen-bonded Turntrans-58.1-30.7-178.775100.9000114.5E340 T422 V441 Q442 L457E340-H420 HydrophobicContact CB-CB 4.35Å; E340-H420 PolarHBondContact N-O 3Å; E340-H420 IonicContact OE2-CE1 3.86Å; E340-H420 IonicContact OE2-CG 3.9Å; E340-H420 IonicContact OE2-ND1 3.9Å; E340-H420 PolarHBondContact OE2-ND1 3.21Å; H420-T422 VanDerWaalsContact C-N 3.32Å; H420-V441 HydrophobicContact CB-CG1 3.89Å; H420-Q442 PolarHBondContact N-O 2.84Å; H420-Q442 VanDerWaalsContact N-O 3.1Å; H420-L457 HydrophobicContact CB-CD1 3.8Å
421D94.7Very high92.9Very high98 Ų9852.5 Ų52.552%0.52427%0.267SS..THydrogen-bonded Turntrans-83.3-5.9-179.567.6-31.3000113.9F419 K423F419-D421 WeakPolarHBondContact CB-OD1 3.41Å; F419-D421 PolarHBondContact O-N 3.46Å; D421-K423 PolarHBondContact O-N 3.42Å
422T94.8Very high92.9Very high28 Ų2856.5 Ų56.517%0.17229%0.286CS..  trans-58.6135.7176.5-52.40000109.8T338 V339 V418 F419 H420 A426T338-T422 CarbonylContact C-O 3.57Å; T338-T422 WeakPolarHBondContact CA-O 3.32Å; V339-T422 WeakPolarHBondContact CG2-O 3.45Å; V339-T422 PolarHBondContact N-O 3.41Å; V418-T422 HydrophobicContact CG1-CG2 3.87Å; V418-T422 WeakPolarHBondContact CG1-OG1 3.35Å; F419-T422 WeakPolarHBondContact O-CB 3.38Å; F419-T422 PolarHBondContact O-N 3.44Å; F419-T422 VanDerWaalsContact O-N 3.08Å; F419-T422 PolarHBondContact O-OG1 3.38Å; H420-T422 VanDerWaalsContact C-N 3.32Å; T422-A426 HydrophobicContact CG2-CB 4.21Å
423K95.3Very high92.8Very high84 Ų8456.9 Ų56.937%0.36528%0.282SS..BIsolated β-bridgetrans-77.6148.4178-62.1-59.3-178.1-171.20111.3T336 K337 T338 D421 D425 A426 M427T336-K423 PolarHBondContact O-NZ 3.01Å; K337-K423 WeakPolarHBondContact O-CD 3.43Å; T338-K423 HydrophobicContact CG2-CD 4.03Å; T338-K423 VanDerWaalsContact CG2-NZ 3.27Å; D421-K423 PolarHBondContact O-N 3.42Å; K423-D425 WeakPolarHBondContact CB-OD1 3.46Å; K423-D425 PolarHBondContact O-N 3.17Å; K423-A426 PolarHBondContact O-N 2.96Å; K423-M427 PolarHBondContact O-N 2.92Å
424L95.3Very high91.9Very high0 Ų058.1 Ų58.10%030%0.303CS..Hα-helixtrans-66.6-25.8-176.1-61-174.9000113.3L334 K337 V339 V342 M427 L428 V465 E468L334-L424 HydrophobicContact CD1-CB 3.31Å; L334-L424 HydrophobicContact CD1-CD1 4.07Å; L334-L424 HydrophobicContact CD1-CG 4.34Å; L334-L424 HydrophobicContact CG-CB 3.85Å; K337-L424 HydrophobicContact CB-CD1 3.57Å; K337-L424 HydrophobicContact CB-CG 4.03Å; K337-L424 HydrophobicContact CD-CD1 4.32Å; K337-L424 PolarHBondContact O-N 3.39Å; V339-L424 HydrophobicContact CG2-CD2 4.05Å; V342-L424 HydrophobicContact CG1-CD1 3.89Å; V342-L424 HydrophobicContact CG1-CD2 4.48Å; V342-L424 HydrophobicContact CG2-CD1 4.44Å; V342-L424 HydrophobicContact CG2-CD2 3.55Å; L424-M427 PolarHBondContact O-N 3.17Å; L424-L428 WeakPolarHBondContact O-CB 3.35Å; L424-L428 PolarHBondContact O-N 3.46Å; L424-V465 HydrophobicContact CB-CG1 4.47Å; L424-V465 HydrophobicContact CD2-CG2 4.46Å; L424-E468 HydrophobicContact CD1-CB 4.46Å; L424-E468 HydrophobicContact CD1-CG 4.43Å
425D94Very high91.2Very high62 Ų6261.1 Ų61.133%0.33231%0.308SS..Hα-helixtrans-68.5-43.817561.4-20.1000112L334 K423 E429L334-D425 HydrophobicContact CD2-CB 4.03Å; L334-D425 HydrophobicContact CG-CB 4.21Å; K423-D425 WeakPolarHBondContact CB-OD1 3.46Å; K423-D425 PolarHBondContact O-N 3.17Å; D425-E429 PolarHBondContact O-N 3.44Å; D425-E429 VanDerWaalsContact O-N 3.15Å
426A93.5Very high90.9Very high42 Ų4259.8 Ų59.835%0.34730%0.3SS..Hα-helixtrans-63.6-42.9171.200000111.2T422 K423 L428 E429 E430T422-A426 HydrophobicContact CG2-CB 4.21Å; K423-A426 PolarHBondContact O-N 2.96Å; A426-L428 PolarHBondContact O-N 3.47Å; A426-E429 WeakPolarHBondContact O-CB 3.29Å; A426-E429 PolarHBondContact O-N 2.94Å; A426-E429 VanDerWaalsContact O-N 3.11Å; A426-E430 PolarHBondContact O-N 3.46Å
427M93.9Very high90.9Very high0 Ų062.2 Ų62.20%031%0.311CS..Hα-helixtrans-59.8-44.9177.8-170.361.2-170.500112.5V339 V418 K423 L424 E429 E430 F431 A439 V460 V465V339-M427 HydrophobicContact CG2-CB 4.09Å; V339-M427 HydrophobicContact CG2-CG 3.99Å; V339-M427 HydrophobicContact CG2-SD 4.22Å; V418-M427 HydrophobicContact CB-CE 4.43Å; V418-M427 HydrophobicContact CB-SD 4.19Å; V418-M427 HydrophobicContact CG1-SD 3.74Å; V418-M427 HydrophobicContact CG2-CE 3.81Å; V418-M427 HydrophobicContact CG2-SD 3.75Å; K423-M427 PolarHBondContact O-N 2.92Å; L424-M427 PolarHBondContact O-N 3.17Å; M427-E429 VanDerWaalsContact C-N 3.28Å; M427-E429 PolarHBondContact O-N 3.2Å; M427-E430 PolarHBondContact O-N 2.67Å; M427-E430 VanDerWaalsContact O-N 3.16Å; M427-F431 HydrophobicContact CE-CD1 4.1Å; M427-F431 HydrophobicContact CE-CD2 4.16Å; M427-F431 HydrophobicContact CE-CE1 3.44Å; M427-F431 VanDerWaalsContact CE-CE1 3.44Å; M427-F431 HydrophobicContact CE-CE2 3.46Å; M427-F431 VanDerWaalsContact CE-CE2 3.46Å; M427-F431 HydrophobicContact CE-CG 4.47Å; M427-F431 HydrophobicContact CE-CZ 3.09Å; M427-F431 HydrophobicContact CG-CD2 4.19Å; M427-F431 HydrophobicContact CG-CE2 3.91Å; M427-F431 PolarHBondContact O-N 3.44Å; M427-F431 HydrophobicContact SD-CE2 4.49Å; M427-A439 HydrophobicContact CE-CB 3.32Å; M427-V460 HydrophobicContact CE-CG1 3.48Å; M427-V460 VanDerWaalsContact CE-CG1 3.48Å; M427-V465 HydrophobicContact CG-CG2 4.3Å
428L93.4Very high90.9Very high32 Ų3258.3 Ų58.317%0.16829%0.294CS..Hα-helixtrans-61.7-38175.7-176.463.2000111.4L334 L424 A426 E430 F431 K432 L462 V465 I466 I469L334-L428 HydrophobicContact CD2-CD2 4.1Å; L424-L428 WeakPolarHBondContact O-CB 3.35Å; L424-L428 PolarHBondContact O-N 3.46Å; A426-L428 PolarHBondContact O-N 3.47Å; L428-E430 VanDerWaalsContact C-N 3.35Å; L428-F431 PolarHBondContact O-N 3.46Å; L428-K432 HydrophobicContact CG-CD 4.29Å; L428-K432 WeakPolarHBondContact O-CB 3.22Å; L428-K432 VanDerWaalsContact O-CG 3.23Å; L428-K432 WeakPolarHBondContact O-CG 3.46Å; L428-K432 PolarHBondContact O-N 3.36Å; L428-L462 HydrophobicContact CD1-CD1 3.61Å; L428-V465 HydrophobicContact CB-CG1 4.12Å; L428-V465 HydrophobicContact CD1-CG1 4.24Å; L428-I466 HydrophobicContact CD1-CD1 4.07Å; L428-I469 HydrophobicContact CD2-CD1 3.89Å
429E91.4Very high90.9Very high107 Ų10758 Ų5850%0.529%0.293SS..Hα-helixtrans-65.2-38.8175.1-159.4-167.3132.100112D425 A426 M427 K432 K433D425-E429 PolarHBondContact O-N 3.44Å; D425-E429 VanDerWaalsContact O-N 3.15Å; A426-E429 WeakPolarHBondContact O-CB 3.29Å; A426-E429 PolarHBondContact O-N 2.94Å; A426-E429 VanDerWaalsContact O-N 3.11Å; M427-E429 VanDerWaalsContact C-N 3.28Å; M427-E429 PolarHBondContact O-N 3.2Å; E429-K432 PolarHBondContact O-N 3.44Å; E429-K433 WeakPolarHBondContact O-CG 3.48Å; E429-K433 PolarHBondContact O-N 3.28Å; E429-K433 VanDerWaalsContact O-N 3.13Å; E429-K433 VanDerWaalsContact OE1-CE 3.23Å; E429-K433 WeakPolarHBondContact OE1-CE 3.44Å; E429-K433 IonicContact OE1-NZ 2.79Å; E429-K433 PolarHBondContact OE1-NZ 3.49Å
430E91.1Very high90.8Very high67 Ų6754.1 Ų54.131%0.31328%0.276SS..Hα-helixtrans-64.9-44.6175.3-70.1-170.7155.700112.3H416 A426 M427 L428 K432 K433H416-E430 IonicContact CE1-OE2 3.28Å; H416-E430 PolarHBondContact CE1-OE2 3.17Å; H416-E430 VanDerWaalsContact CE1-OE2 3.28Å; A426-E430 PolarHBondContact O-N 3.46Å; M427-E430 PolarHBondContact O-N 2.67Å; M427-E430 VanDerWaalsContact O-N 3.16Å; L428-E430 VanDerWaalsContact C-N 3.35Å; E430-K432 VanDerWaalsContact C-N 3.34Å; E430-K432 PolarHBondContact O-N 3.03Å; E430-K433 WeakPolarHBondContact O-CB 3.37Å; E430-K433 PolarHBondContact O-N 3.43Å
431F92.7Very high90.9Very high3 Ų352.3 Ų52.31%0.01327%0.267CS..Hα-helixtrans-62.7-39.5174-72.6-34.9000112.5M427 L428 K433 G434 S436 A439 V460 T461 L462 V465M427-F431 HydrophobicContact CE-CD1 4.1Å; M427-F431 HydrophobicContact CE-CD2 4.16Å; M427-F431 HydrophobicContact CE-CE1 3.44Å; M427-F431 VanDerWaalsContact CE-CE1 3.44Å; M427-F431 HydrophobicContact CE-CE2 3.46Å; M427-F431 VanDerWaalsContact CE-CE2 3.46Å; M427-F431 HydrophobicContact CE-CG 4.47Å; M427-F431 HydrophobicContact CE-CZ 3.09Å; M427-F431 HydrophobicContact CG-CD2 4.19Å; M427-F431 HydrophobicContact CG-CE2 3.91Å; M427-F431 PolarHBondContact O-N 3.44Å; M427-F431 HydrophobicContact SD-CE2 4.49Å; L428-F431 PolarHBondContact O-N 3.46Å; F431-K433 VanDerWaalsContact C-N 3.25Å; F431-K433 PolarHBondContact O-N 3Å; F431-G434 PolarHBondContact O-N 3.16Å; F431-S436 WeakPolarHBondContact CD1-O 3.32Å; F431-A439 HydrophobicContact CE1-CB 3.93Å; F431-A439 HydrophobicContact CZ-CB 4.12Å; F431-V460 HydrophobicContact CZ-CG1 4.31Å; F431-T461 VanDerWaalsContact CE2-C 3.46Å; F431-T461 WeakPolarHBondContact CE2-O 3.26Å; F431-L462 HydrophobicContact CB-CD1 3.86Å; F431-L462 HydrophobicContact CD2-CB 3.93Å; F431-L462 HydrophobicContact CD2-CD1 3.85Å; F431-L462 HydrophobicContact CD2-CG 4.5Å; F431-L462 HydrophobicContact CE2-CB 4.24Å; F431-L462 HydrophobicContact CG-CB 4.25Å; F431-L462 HydrophobicContact CG-CD1 4.23Å; F431-V465 HydrophobicContact CD2-CG2 4.43Å; F431-V465 HydrophobicContact CE2-CG2 4.04Å
432K90.3Very high90.9Very high165 Ų16548.7 Ų48.772%0.71725%0.247SC*.Hα-helixtrans-64.3-25.8175.4-77.2173.464.2-176.20114L428 E429 E430 G434L428-K432 HydrophobicContact CG-CD 4.29Å; L428-K432 WeakPolarHBondContact O-CB 3.22Å; L428-K432 VanDerWaalsContact O-CG 3.23Å; L428-K432 WeakPolarHBondContact O-CG 3.46Å; L428-K432 PolarHBondContact O-N 3.36Å; E429-K432 PolarHBondContact O-N 3.44Å; E430-K432 VanDerWaalsContact C-N 3.34Å; E430-K432 PolarHBondContact O-N 3.03Å; K432-G434 PolarHBondContact O-N 2.88Å
433K88.2Confident90.9Very high125 Ų12551.4 Ų51.454%0.54326%0.256SS..THydrogen-bonded Turntrans-68.3-9.3174.6-73.1164.3-174.91600112.5E429 E430 F431E429-K433 WeakPolarHBondContact O-CG 3.48Å; E429-K433 PolarHBondContact O-N 3.28Å; E429-K433 VanDerWaalsContact O-N 3.13Å; E429-K433 VanDerWaalsContact OE1-CE 3.23Å; E429-K433 WeakPolarHBondContact OE1-CE 3.44Å; E429-K433 IonicContact OE1-NZ 2.79Å; E429-K433 PolarHBondContact OE1-NZ 3.49Å; E430-K433 WeakPolarHBondContact O-CB 3.37Å; E430-K433 PolarHBondContact O-N 3.43Å; F431-K433 VanDerWaalsContact C-N 3.25Å; F431-K433 PolarHBondContact O-N 3Å
434G72.2Confident90.7Very high55 Ų5549.9 Ų49.957%0.56725%0.254SS*.THydrogen-bonded Turntrans81.919.7165.400000115.4F431 K432F431-G434 PolarHBondContact O-N 3.16Å; K432-G434 PolarHBondContact O-N 2.88Å
435K74.3Confident90.3Very high139 Ų13951.3 Ų51.360%0.60426%0.262SS*.SBendtrans-75.4-51.2178.8-66.2-177.6-178.6176.50112.3
436S84.5Confident90Very high6 Ų654.1 Ų54.14%0.04228%0.277CS..  trans-158.1151.9177.1177.60000108.3F431 L438F431-S436 WeakPolarHBondContact CD1-O 3.32Å; S436-L438 WeakPolarHBondContact CB-O 3.26Å; S436-L438 PolarHBondContact OG-N 3.24Å; S436-L438 VanDerWaalsContact OG-N 3.13Å; S436-L438 PolarHBondContact OG-O 2.96Å
437H91.3Very high89.3Confident77 Ų7760.5 Ų60.536%0.35630%0.299SS..SBendtrans-99.24.7171.8-62.8178000112.5T461 L462H437-T461 WeakPolarHBondContact O-CA 3.33Å; H437-L462 HydrophobicContact CB-CB 4.14Å; H437-L462 PolarHBondContact O-N 2.87Å
438L92.9Very high88.5Confident8 Ų863.3 Ų63.34%0.04233%0.329CS..EExtended strand (participates in β ladder)trans-126.1132.3172.1-178.1151.7000107.9R373 I387 S436 L459R373-L438 HydrophobicContact CB-CD1 3.99Å; I387-L438 HydrophobicContact CD1-CD2 3.96Å; S436-L438 WeakPolarHBondContact CB-O 3.26Å; S436-L438 PolarHBondContact OG-N 3.24Å; S436-L438 VanDerWaalsContact OG-N 3.13Å; S436-L438 PolarHBondContact OG-O 2.96Å; L438-L459 HydrophobicContact CD1-CD2 4.45Å
439A94.3Very high87.5Confident0 Ų072.1 Ų72.10%037%0.369CS..EExtended strand (participates in β ladder)trans-130.7147.217700000110.9H416 V418 M427 F431 L459 V460H416-A439 HydrophobicContact CB-CB 4.32Å; H416-A439 CarbonylContact O-C 3.53Å; H416-A439 WeakPolarHBondContact O-CA 3.11Å; H416-A439 WeakPolarHBondContact O-CB 3.48Å; V418-A439 HydrophobicContact CG2-CB 3.96Å; M427-A439 HydrophobicContact CE-CB 3.32Å; F431-A439 HydrophobicContact CE1-CB 3.93Å; F431-A439 HydrophobicContact CZ-CB 4.12Å; A439-L459 CarbonylContact O-C 3.59Å; A439-L459 VanDerWaalsContact O-CA 3.28Å; A439-L459 WeakPolarHBondContact O-CA 3.08Å; A439-L459 WeakPolarHBondContact O-CB 3.18Å; A439-V460 HydrophobicContact CB-CG1 4.03Å; A439-V460 PolarHBondContact N-O 3.23Å; A439-V460 PolarHBondContact O-N 3.01Å
440I95.1Very high87Confident0 Ų070 Ų700%038%0.376CS..EExtended strand (participates in β ladder)trans-94.2128.4178.3-56.1178.5000108.1I384 V415 H416 F417 V418 V456I384-I440 HydrophobicContact CB-CD1 3.66Å; I384-I440 HydrophobicContact CD1-CD1 3.74Å; I384-I440 HydrophobicContact CD1-CG1 4.28Å; I384-I440 HydrophobicContact CD1-CG2 4Å; I384-I440 HydrophobicContact CG1-CD1 4.28Å; I384-I440 HydrophobicContact CG2-CD1 3.38Å; V415-I440 HydrophobicContact CG1-CD1 3.21Å; V415-I440 HydrophobicContact CG1-CG1 4.07Å; H416-I440 PolarHBondContact O-N 3.28Å; F417-I440 WeakPolarHBondContact CA-O 3.43Å; F417-I440 HydrophobicContact CD1-CB 3.78Å; F417-I440 HydrophobicContact CD1-CD1 4.47Å; F417-I440 HydrophobicContact CD1-CG2 3.94Å; F417-I440 HydrophobicContact CE1-CB 3.9Å; F417-I440 HydrophobicContact CE1-CD1 3.82Å; F417-I440 HydrophobicContact CE1-CG1 4.46Å; F417-I440 HydrophobicContact CE1-CG2 3.83Å; F417-I440 HydrophobicContact CZ-CD1 4.07Å; V418-I440 PolarHBondContact N-O 3.03Å; I440-V456 HydrophobicContact CG2-CG1 3.65Å; I440-V456 HydrophobicContact CG2-CG2 4.17Å
441V95.8Very high86.8Confident0 Ų074 Ų740%040%0.4CS..EExtended strand (participates in β ladder)trans-94.4122.8-177.9-171.70000108.9V339 M343 V418 H420 L457 G458 V460V339-V441 HydrophobicContact CG1-CB 4.33Å; V339-V441 HydrophobicContact CG1-CG1 3.92Å; V339-V441 HydrophobicContact CG1-CG2 3.4Å; V339-V441 VanDerWaalsContact CG1-CG2 3.4Å; M343-V441 HydrophobicContact CB-CG2 4.08Å; M343-V441 HydrophobicContact SD-CB 4.16Å; M343-V441 HydrophobicContact SD-CG1 3.85Å; V418-V441 WeakPolarHBondContact O-CA 3.38Å; H420-V441 HydrophobicContact CB-CG1 3.89Å; V441-L457 PolarHBondContact O-N 3.22Å; V441-G458 PolarHBondContact N-O 2.89Å; V441-G458 PolarHBondContact O-N 3.02Å; V441-V460 HydrophobicContact CG2-CB 4.09Å; V441-V460 HydrophobicContact CG2-CG1 3.82Å
442Q94.9Very high86.5Confident22 Ų2277.6 Ų77.610%0.10342%0.423CS..EExtended strand (participates in β ladder)trans-125.1153.3179.465.1-179.330.400112.2F417 V418 F419 H420 Y454 E455F417-Q442 VanDerWaalsContact CD1-OE1 3.31Å; V418-Q442 PolarHBondContact O-N 3.2Å; F419-Q442 WeakPolarHBondContact CA-O 3.02Å; F419-Q442 HydrophobicContact CD1-CG 4.13Å; F419-Q442 HydrophobicContact CE1-CG 4.26Å; H420-Q442 PolarHBondContact N-O 2.84Å; H420-Q442 VanDerWaalsContact N-O 3.1Å; Q442-Y454 HydrophobicContact CG-CD1 4.47Å; Q442-E455 CarbonylContact C-O 3.6Å; Q442-E455 VanDerWaalsContact CA-O 3.24Å; Q442-E455 WeakPolarHBondContact CA-O 3.34Å
443K94.1Very high86.4Confident85 Ų8575.1 Ų75.137%0.3741%0.413SS..EExtended strand (participates in β ladder)trans-120141.2173.8177.3172.9179.5-170.50109.7N445 Y454 E455 L457K443-N445 PolarHBondContact O-N 3.3Å; K443-Y454 WeakPolarHBondContact O-CA 3.15Å; K443-E455 PolarHBondContact N-O 3.41Å; K443-E455 PolarHBondContact O-N 2.92Å; K443-L457 HydrophobicContact CB-CD1 3.84Å; K443-L457 HydrophobicContact CB-CD2 4.35Å; K443-L457 HydrophobicContact CB-CG 4.05Å; K443-L457 HydrophobicContact CD-CD1 4.38Å
444V91.3Very high86.6Confident52 Ų5276 Ų7632%0.31541%0.413SS..EExtended strand (participates in β ladder)trans-80.7113.8171.7-170.50000107.4F419 P452 Y454F419-V444 HydrophobicContact CD1-CG2 4.17Å; F419-V444 HydrophobicContact CE1-CG2 3.78Å; V444-P452 HydrophobicContact CG1-CB 3.92Å; V444-Y454 HydrophobicContact CG2-CD1 3.97Å; V444-Y454 HydrophobicContact CG2-CE1 3.72Å
445N87.8Confident87.5Confident30 Ų3077.3 Ų77.316%0.1641%0.405CS..EExtended strand (participates in β ladder)trans-94116.4175.5-162.2-26.5000109.1K443 E447 P452 F453 E455K443-N445 PolarHBondContact O-N 3.3Å; N445-E447 WeakPolarHBondContact OD1-CB 3.43Å; N445-E447 PolarHBondContact OD1-N 2.99Å; N445-P452 WeakPolarHBondContact O-CA 3.29Å; N445-F453 HydrophobicContact CB-CD2 4.39Å; N445-F453 HydrophobicContact CB-CE1 4.14Å; N445-F453 HydrophobicContact CB-CE2 3.94Å; N445-F453 HydrophobicContact CB-CZ 3.8Å; N445-F453 PolarHBondContact N-O 3Å; N445-F453 PolarHBondContact O-N 3.32Å; N445-E455 PolarHBondContact ND2-OE2 2.99Å
446N86.4Confident88.5Confident121 Ų12171.7 Ų71.765%0.64738%0.382SS*.  trans-105.33.1177.9-59.7-41.4000111.8G448 P452N446-G448 PolarHBondContact O-N 2.98Å; N446-G448 VanDerWaalsContact O-N 3.17Å; N446-P452 WeakPolarHBondContact OD1-CB 3.07Å
447E79.4Confident88.9Confident176 Ų17673.2 Ų73.282%0.82239%0.39SS*.  trans-85.288.9-176.1-62.6-176.717800109.6N445N445-E447 WeakPolarHBondContact OD1-CB 3.43Å; N445-E447 PolarHBondContact OD1-N 2.99Å
448G77.5Confident89.1Confident60 Ų6069.6 Ų69.662%0.61937%0.373SS*.SBendtrans168.7160175.500000113.1N446 G450N446-G448 PolarHBondContact O-N 2.98Å; N446-G448 VanDerWaalsContact O-N 3.17Å; G448-G450 VanDerWaalsContact C-N 3.32Å; G448-G450 PolarHBondContact O-N 2.84Å; G448-G450 VanDerWaalsContact O-N 3.11Å
449E72.9Confident89.1Confident216 Ų21670.3 Ų70.3100%1.00938%0.377SS*.SBendtrans-78.983166.8-67.6-170.9176.100108.7
450G79.4Confident89.2Confident63 Ų6370.3 Ų70.365%0.64938%0.377SS*.SBendtrans177.1-179.6-178.800000113.9G448G448-G450 VanDerWaalsContact C-N 3.32Å; G448-G450 PolarHBondContact O-N 2.84Å; G448-G450 VanDerWaalsContact O-N 3.11Å
451D86.8Confident89Confident152 Ų15271.5 Ų71.581%0.81338%0.384SS*.SBendtrans-67.9145.5171.7-72.5-29.7000110.4F453D451-F453 PolarHBondContact O-N 2.89Å
452P87.2Confident88.9Confident78 Ų7873.4 Ų73.451%0.50639%0.394SS..  trans-64.6136.6179.729.1-36.3000110.9V444 N445 N446V444-P452 HydrophobicContact CG1-CB 3.92Å; N445-P452 WeakPolarHBondContact O-CA 3.29Å; N446-P452 WeakPolarHBondContact OD1-CB 3.07Å
453F89.1Confident88.6Confident113 Ų11377.6 Ų77.650%0.49641%0.414SS..EExtended strand (participates in β ladder)trans-118.8157.4178.365.8-87.5000111.2N445 D451 E455N445-F453 HydrophobicContact CB-CD2 4.39Å; N445-F453 HydrophobicContact CB-CE1 4.14Å; N445-F453 HydrophobicContact CB-CE2 3.94Å; N445-F453 HydrophobicContact CB-CZ 3.8Å; N445-F453 PolarHBondContact N-O 3Å; N445-F453 PolarHBondContact O-N 3.32Å; D451-F453 PolarHBondContact O-N 2.89Å; F453-E455 HydrophobicContact CE2-CB 4.48Å
454Y90.9Very high88.4Confident143 Ų14374.7 Ų74.756%0.56140%0.402SS*.EExtended strand (participates in β ladder)trans-90.2127.3177.5-59.7-69.7000109.9F419 Q442 K443 V444F419-Y454 HydrophobicContact CE1-CD1 4.15Å; F419-Y454 AromaticContact CE1-CE1 3.72Å; F419-Y454 HydrophobicContact CE1-CE1 3.72Å; F419-Y454 HydrophobicContact CZ-CE1 4.17Å; Q442-Y454 HydrophobicContact CG-CD1 4.47Å; K443-Y454 WeakPolarHBondContact O-CA 3.15Å; V444-Y454 HydrophobicContact CG2-CD1 3.97Å; V444-Y454 HydrophobicContact CG2-CE1 3.72Å
455E91.8Very high88.5Confident83 Ų8372.2 Ų72.239%0.38839%0.387SS..EExtended strand (participates in β ladder)trans-108.7126174.9-176.4179.5176.300109.1Q442 K443 N445 F453Q442-E455 CarbonylContact C-O 3.6Å; Q442-E455 VanDerWaalsContact CA-O 3.24Å; Q442-E455 WeakPolarHBondContact CA-O 3.34Å; K443-E455 PolarHBondContact N-O 3.41Å; K443-E455 PolarHBondContact O-N 2.92Å; N445-E455 PolarHBondContact ND2-OE2 2.99Å; F453-E455 HydrophobicContact CE2-CB 4.48Å
456V94.4Very high88.7Confident20 Ų2073.4 Ų73.412%0.12139%0.393CS..EExtended strand (participates in β ladder)trans-80.7121.8178.2176.40000109.6L346 S382 I384 I440L346-V456 HydrophobicContact CD1-CG1 4.16Å; L346-V456 HydrophobicContact CD2-CG1 4.35Å; S382-V456 VanDerWaalsContact O-CG2 3.22Å; S382-V456 WeakPolarHBondContact O-CG2 3.23Å; I384-V456 HydrophobicContact CD1-CG1 4.1Å; I440-V456 HydrophobicContact CG2-CG1 3.65Å; I440-V456 HydrophobicContact CG2-CG2 4.17Å
457L94.1Very high88.8Confident39 Ų3970.1 Ų70.120%0.20437%0.374CS..EExtended strand (participates in β ladder)trans-93.3-32.7179.2-61.2-177000112.5M343 L346 H420 V441 K443M343-L457 HydrophobicContact CE-CB 3.96Å; M343-L457 HydrophobicContact CE-CD1 4.2Å; M343-L457 HydrophobicContact SD-CB 3.93Å; M343-L457 HydrophobicContact SD-CD1 4.48Å; L346-L457 WeakPolarHBondContact CB-O 3.15Å; L346-L457 PolarHBondContact N-O 3.06Å; H420-L457 HydrophobicContact CB-CD1 3.8Å; V441-L457 PolarHBondContact O-N 3.22Å; K443-L457 HydrophobicContact CB-CD1 3.84Å; K443-L457 HydrophobicContact CB-CD2 4.35Å; K443-L457 HydrophobicContact CB-CG 4.05Å; K443-L457 HydrophobicContact CD-CD1 4.38Å
458G94.4Very high89.3Confident1 Ų163.6 Ų63.61%0.0134%0.343CS..EExtended strand (participates in β ladder)trans168.4-156.6-173.700000113.3T344 V441T344-G458 VanDerWaalsContact O-CA 3.25Å; T344-G458 WeakPolarHBondContact O-CA 3.24Å; V441-G458 PolarHBondContact N-O 2.89Å; V441-G458 PolarHBondContact O-N 3.02Å
459L94.3Very high89.9Confident22 Ų2262.2 Ų62.212%0.11532%0.321CS..EExtended strand (participates in β ladder)trans-133.1157.8176.964.784.9000111.2M343 T344 C349 P375 L438 A439 T461M343-L459 WeakPolarHBondContact CA-O 3.39Å; T344-L459 PolarHBondContact N-O 3.03Å; T344-L459 PolarHBondContact O-N 3.5Å; C349-L459 HydrophobicContact CB-CD2 4Å; C349-L459 WeakPolarHBondContact SG-CD2 3.41Å; P375-L459 HydrophobicContact CG-CD2 3.97Å; L438-L459 HydrophobicContact CD1-CD2 4.45Å; A439-L459 CarbonylContact O-C 3.59Å; A439-L459 VanDerWaalsContact O-CA 3.28Å; A439-L459 WeakPolarHBondContact O-CA 3.08Å; A439-L459 WeakPolarHBondContact O-CB 3.18Å; L459-T461 HydrophobicContact CD1-CG2 4.03Å
460V94.5Very high90.6Very high0 Ų054.7 Ų54.70%029%0.288CS..EExtended strand (participates in β ladder)trans-133.2140.7173.262.70000108.8V339 V342 M427 F431 A439 V441 D464 V465V339-V460 HydrophobicContact CG1-CB 3.98Å; V339-V460 HydrophobicContact CG1-CG1 3.74Å; V339-V460 HydrophobicContact CG1-CG2 4.35Å; V342-V460 HydrophobicContact CG2-CG2 4.01Å; M427-V460 HydrophobicContact CE-CG1 3.48Å; M427-V460 VanDerWaalsContact CE-CG1 3.48Å; F431-V460 HydrophobicContact CZ-CG1 4.31Å; A439-V460 HydrophobicContact CB-CG1 4.03Å; A439-V460 PolarHBondContact N-O 3.23Å; A439-V460 PolarHBondContact O-N 3.01Å; V441-V460 HydrophobicContact CG2-CB 4.09Å; V441-V460 HydrophobicContact CG2-CG1 3.82Å; V460-D464 HydrophobicContact CG2-CB 4.38Å; V460-V465 HydrophobicContact CG2-CG2 4.1Å
461T92.9Very high90.8Very high26 Ų2654.9 Ų54.916%0.1627%0.27CS..EExtended strand (participates in β ladder)trans-111.9163.5177.269.70000111F431 H437 L459 E463 D464 V465F431-T461 VanDerWaalsContact CE2-C 3.46Å; F431-T461 WeakPolarHBondContact CE2-O 3.26Å; H437-T461 WeakPolarHBondContact O-CA 3.33Å; L459-T461 HydrophobicContact CD1-CG2 4.03Å; T461-E463 PolarHBondContact O-N 3.46Å; T461-E463 PolarHBondContact OG1-N 3.02Å; T461-D464 WeakPolarHBondContact CB-OD2 3.29Å; T461-D464 PolarHBondContact N-OD2 2.73Å; T461-D464 PolarHBondContact O-N 3.39Å; T461-D464 PolarHBondContact OG1-N 2.97Å; T461-D464 PolarHBondContact OG1-OD1 3.41Å; T461-D464 PolarHBondContact OG1-OD2 3Å; T461-V465 PolarHBondContact O-N 3.36Å
462L91.9Very high90.6Very high40 Ų4050.1 Ų50.121%0.20925%0.249CC..Hα-helixtrans-61-34.9171.7176.959.9000111.5L428 F431 H437 V465 I466L428-L462 HydrophobicContact CD1-CD1 3.61Å; F431-L462 HydrophobicContact CB-CD1 3.86Å; F431-L462 HydrophobicContact CD2-CB 3.93Å; F431-L462 HydrophobicContact CD2-CD1 3.85Å; F431-L462 HydrophobicContact CD2-CG 4.5Å; F431-L462 HydrophobicContact CE2-CB 4.24Å; F431-L462 HydrophobicContact CG-CB 4.25Å; F431-L462 HydrophobicContact CG-CD1 4.23Å; H437-L462 HydrophobicContact CB-CB 4.14Å; H437-L462 PolarHBondContact O-N 2.87Å; L462-V465 PolarHBondContact O-N 3.23Å; L462-I466 HydrophobicContact CD1-CD1 4.43Å; L462-I466 HydrophobicContact CD1-CG1 4.12Å; L462-I466 HydrophobicContact CG-CG1 4.31Å; L462-I466 VanDerWaalsContact O-CG1 3.3Å; L462-I466 WeakPolarHBondContact O-CG1 3.44Å; L462-I466 PolarHBondContact O-N 3.04Å
463E89.7Confident90.2Very high110 Ų11050.3 Ų50.351%0.51424%0.243SC..Hα-helixtrans-61.7-47.5179.3-73.5154.5-149.600110.9T461 V465 I466 E467T461-E463 PolarHBondContact O-N 3.46Å; T461-E463 PolarHBondContact OG1-N 3.02Å; E463-V465 VanDerWaalsContact C-N 3.25Å; E463-V465 PolarHBondContact O-N 3.45Å; E463-I466 PolarHBondContact O-N 2.97Å; E463-E467 WeakPolarHBondContact O-CB 3.37Å; E463-E467 PolarHBondContact O-N 3.49Å
464D90.5Very high89.7Confident23 Ų2348.8 Ų48.812%0.12324%0.24CC..Hα-helixtrans-56.5-39.2177-53-43.5000112.1V460 T461 E468V460-D464 HydrophobicContact CG2-CB 4.38Å; T461-D464 WeakPolarHBondContact CB-OD2 3.29Å; T461-D464 PolarHBondContact N-OD2 2.73Å; T461-D464 PolarHBondContact O-N 3.39Å; T461-D464 PolarHBondContact OG1-N 2.97Å; T461-D464 PolarHBondContact OG1-OD1 3.41Å; T461-D464 PolarHBondContact OG1-OD2 3Å; D464-E468 PolarHBondContact O-N 2.98Å
465V92.4Very high88.8Confident0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-70.6-38.3178.9-179.60000111.4L334 L424 M427 L428 F431 V460 T461 L462 E463 I469L334-V465 HydrophobicContact CD1-CG1 4.03Å; L424-V465 HydrophobicContact CB-CG1 4.47Å; L424-V465 HydrophobicContact CD2-CG2 4.46Å; M427-V465 HydrophobicContact CG-CG2 4.3Å; L428-V465 HydrophobicContact CB-CG1 4.12Å; L428-V465 HydrophobicContact CD1-CG1 4.24Å; F431-V465 HydrophobicContact CD2-CG2 4.43Å; F431-V465 HydrophobicContact CE2-CG2 4.04Å; V460-V465 HydrophobicContact CG2-CG2 4.1Å; T461-V465 PolarHBondContact O-N 3.36Å; L462-V465 PolarHBondContact O-N 3.23Å; E463-V465 VanDerWaalsContact C-N 3.25Å; E463-V465 PolarHBondContact O-N 3.45Å; V465-I469 WeakPolarHBondContact O-CG1 3.4Å; V465-I469 PolarHBondContact O-N 3.44Å
466I91.3Very high87.6Confident56 Ų5646.2 Ų46.229%0.28724%0.238SC..Hα-helixtrans-71.5-38.9177.2-63.8-65.4000110.6L428 L462 E463 E468 I469 I470 I474L428-I466 HydrophobicContact CD1-CD1 4.07Å; L462-I466 HydrophobicContact CD1-CD1 4.43Å; L462-I466 HydrophobicContact CD1-CG1 4.12Å; L462-I466 HydrophobicContact CG-CG1 4.31Å; L462-I466 VanDerWaalsContact O-CG1 3.3Å; L462-I466 WeakPolarHBondContact O-CG1 3.44Å; L462-I466 PolarHBondContact O-N 3.04Å; E463-I466 PolarHBondContact O-N 2.97Å; I466-E468 VanDerWaalsContact C-N 3.25Å; I466-E468 PolarHBondContact O-N 2.85Å; I466-I469 HydrophobicContact CD1-CD1 4.34Å; I466-I469 WeakPolarHBondContact O-CB 3.17Å; I466-I469 PolarHBondContact O-N 2.89Å; I466-I470 HydrophobicContact CG2-CD1 3.66Å; I466-I470 HydrophobicContact CG2-CG1 4.21Å; I466-I470 WeakPolarHBondContact O-CG1 3.39Å; I466-I470 PolarHBondContact O-N 3.49Å; I466-I474 HydrophobicContact CB-CD1 4.44Å; I466-I474 HydrophobicContact CG2-CD1 3.76Å
467E89.3Confident86.2Confident52 Ų5254.1 Ų54.124%0.24327%0.273CS..Hα-helixtrans-56.6-41.3175.7-158.1-157.7136.300111.2E463 I469 I470 K471 S472E463-E467 WeakPolarHBondContact O-CB 3.37Å; E463-E467 PolarHBondContact O-N 3.49Å; E467-I469 VanDerWaalsContact C-N 3.32Å; E467-I469 PolarHBondContact O-N 3.42Å; E467-I470 PolarHBondContact O-N 2.94Å; E467-K471 VanDerWaalsContact O-CA 3.25Å; E467-K471 WeakPolarHBondContact O-CA 3.06Å; E467-K471 PolarHBondContact O-N 3.47Å; E467-S472 WeakPolarHBondContact CG-O 3.23Å; E467-S472 PolarHBondContact O-N 2.89Å
468E89.6Confident84.7Confident38 Ų3854.9 Ų54.918%0.17828%0.282CS..Hα-helixtrans-66.9-29.1174.2-86-58.9176.700114.8G330 K337 V342 L424 D464 I466 K471G330-E468 WeakPolarHBondContact CA-O 3.32Å; K337-E468 IonicContact NZ-OE1 3.34Å; K337-E468 PolarHBondContact NZ-OE1 2.84Å; K337-E468 IonicContact NZ-OE2 3.37Å; K337-E468 PolarHBondContact NZ-OE2 3.19Å; V342-E468 HydrophobicContact CB-CG 4.48Å; V342-E468 HydrophobicContact CG1-CB 4.39Å; V342-E468 HydrophobicContact CG1-CG 3.22Å; L424-E468 HydrophobicContact CD1-CB 4.46Å; L424-E468 HydrophobicContact CD1-CG 4.43Å; D464-E468 PolarHBondContact O-N 2.98Å; I466-E468 VanDerWaalsContact C-N 3.25Å; I466-E468 PolarHBondContact O-N 2.85Å; E468-K471 VanDerWaalsContact O-CD 3.31Å; E468-K471 WeakPolarHBondContact O-CD 3.48Å; E468-K471 WeakPolarHBondContact O-CE 3.16Å; E468-K471 IonicContact OE2-NZ 2.78Å; E468-K471 PolarHBondContact OE2-NZ 3.06Å
469I89.9Confident83.5Confident32 Ų3256.9 Ų56.916%0.16429%0.292CS..Hα-helixtrans-73.3-43.8176-67.2169.9000109.7M327 G330 L334 L428 V465 I466 E467M327-I469 WeakPolarHBondContact CA-O 3.46Å; G330-I469 WeakPolarHBondContact CA-O 3.49Å; L334-I469 HydrophobicContact CD1-CD1 3.99Å; L334-I469 HydrophobicContact CD1-CG1 3.78Å; L334-I469 HydrophobicContact CD2-CD1 3.98Å; L334-I469 HydrophobicContact CD2-CG1 4.33Å; L428-I469 HydrophobicContact CD2-CD1 3.89Å; V465-I469 WeakPolarHBondContact O-CG1 3.4Å; V465-I469 PolarHBondContact O-N 3.44Å; I466-I469 HydrophobicContact CD1-CD1 4.34Å; I466-I469 WeakPolarHBondContact O-CB 3.17Å; I466-I469 PolarHBondContact O-N 2.89Å; E467-I469 VanDerWaalsContact C-N 3.32Å; E467-I469 PolarHBondContact O-N 3.42Å
470I88.1Confident82.1Confident58 Ų5859.2 Ų59.230%0.29731%0.305SS..Hα-helixtrans-84-20.3-176-51.6176.6000111.5M327 I466 E467 S472 I474M327-I470 HydrophobicContact CG-CB 4.41Å; M327-I470 HydrophobicContact CG-CG2 4.01Å; M327-I470 HydrophobicContact SD-CG2 4.45Å; I466-I470 HydrophobicContact CG2-CD1 3.66Å; I466-I470 HydrophobicContact CG2-CG1 4.21Å; I466-I470 WeakPolarHBondContact O-CG1 3.39Å; I466-I470 PolarHBondContact O-N 3.49Å; E467-I470 PolarHBondContact O-N 2.94Å; I470-S472 WeakPolarHBondContact CG2-OG 3.44Å; I470-S472 PolarHBondContact O-N 2.99Å; I470-I474 HydrophobicContact CD1-CD1 4.27Å
471K84.4Confident80.8Confident66 Ų6662.9 Ų62.929%0.28732%0.319SS..THydrogen-bonded Turntrans56.737.6-172.1-56.3-67.3-174.5179.30112.1N326 E333 E467 E468N326-K471 HydrophobicContact CB-CB 4.15Å; N326-K471 HydrophobicContact CB-CG 4.49Å; E333-K471 WeakPolarHBondContact OE2-CE 3.43Å; E333-K471 IonicContact OE2-NZ 3.88Å; E333-K471 PolarHBondContact OE2-NZ 2.78Å; E467-K471 VanDerWaalsContact O-CA 3.25Å; E467-K471 WeakPolarHBondContact O-CA 3.06Å; E467-K471 PolarHBondContact O-N 3.47Å; E468-K471 VanDerWaalsContact O-CD 3.31Å; E468-K471 WeakPolarHBondContact O-CD 3.48Å; E468-K471 WeakPolarHBondContact O-CE 3.16Å; E468-K471 IonicContact OE2-NZ 2.78Å; E468-K471 PolarHBondContact OE2-NZ 3.06Å
472S82.6Confident79.4Confident53 Ų5363.2 Ų63.237%0.37132%0.321SS..SBendtrans-146.5132.6179.266.40000110.3E467 I470 I474E467-S472 WeakPolarHBondContact CG-O 3.23Å; E467-S472 PolarHBondContact O-N 2.89Å; I470-S472 WeakPolarHBondContact CG2-OG 3.44Å; I470-S472 PolarHBondContact O-N 2.99Å; S472-I474 PolarHBondContact O-N 3.26Å
473E79.1Confident78.2Confident82 Ų8262.8 Ų62.838%0.38332%0.319SS..  trans-56.7129.6173.1-65.2-77.5-178.800110.8T482 D483E473-T482 VanDerWaalsContact CD-O 3.3Å; E473-T482 WeakPolarHBondContact CG-O 3.48Å; E473-D483 WeakPolarHBondContact OE1-CB 3.42Å
474I77.4Confident76.9Confident81 Ų8160.8 Ų60.842%0.41531%0.312SS..  trans-104.8115.3175.1-57.3175.5000106.9I466 I470 S472I466-I474 HydrophobicContact CB-CD1 4.44Å; I466-I474 HydrophobicContact CG2-CD1 3.76Å; I470-I474 HydrophobicContact CD1-CD1 4.27Å; S472-I474 PolarHBondContact O-N 3.26Å
475L72.4Confident75.7Confident83 Ų8367 Ų6744%0.43533%0.334SS..  trans-102.5123.2-179.7-54.5177000109.8T482L475-T482 HydrophobicContact CD1-CG2 3.83Å; L475-T482 HydrophobicContact CD2-CG2 4.38Å
476D66.8Low74.4Confident89 Ų8973.2 Ų73.248%0.47637%0.366SS..  trans-82.6157167.3-166.518.4000110.9S478 D479D476-S478 PolarHBondContact O-N 3.46Å; D476-S478 VanDerWaalsContact O-N 3.09Å; D476-D479 PolarHBondContact N-OD2 2.9Å; D476-D479 PolarHBondContact O-N 3.41Å; D476-D479 VanDerWaalsContact O-N 3.08Å
477E63.9Low73.3Confident186 Ų18676.3 Ų76.387%0.86938%0.378SS*.THydrogen-bonded Turntrans-58.5-25.9179.4-62.9-176.417500112.3
478S64Low72.2Confident55 Ų5580.7 Ų80.739%0.38540%0.396SS..THydrogen-bonded Turntrans-84.7-18.6-178.4-54.40000113.4D476 K496D476-S478 PolarHBondContact O-N 3.46Å; D476-S478 VanDerWaalsContact O-N 3.09Å; S478-K496 PolarHBondContact O-NZ 2.96Å
479D68.6Low71Confident43 Ų4386.5 Ų86.523%0.2342%0.421CS..  trans-66.6146.6-169.5-68.7-23.8000112.9D476 K496D476-D479 PolarHBondContact N-OD2 2.9Å; D476-D479 PolarHBondContact O-N 3.41Å; D476-D479 VanDerWaalsContact O-N 3.08Å; D479-K496 PolarHBondContact O-NZ 3.39Å; D479-K496 VanDerWaalsContact O-NZ 3.1Å
480L65.1Low69.8Low71 Ų7187.2 Ų87.237%0.37243%0.427SS..SBendtrans-97.6-25179.7-73.4166.6000112.4V490 K496L480-V490 PolarHBondContact O-N 2.94Å; L480-V490 VanDerWaalsContact O-N 3.09Å; L480-K496 HydrophobicContact CD2-CD 4.39Å
481Y67.7Low68.5Low77 Ų7791.3 Ų91.330%0.30245%0.449SS..BIsolated β-bridgetrans-128.6146.3-173.3-57.2-78.6000110.1D483 K487 K488 K489 V490Y481-D483 VanDerWaalsContact C-N 3.31Å; Y481-K487 HydrophobicContact CD1-CB 4.34Å; Y481-K487 WeakPolarHBondContact CD1-O 3.49Å; Y481-K487 HydrophobicContact CE1-CB 4.4Å; Y481-K488 CarbonylContact C-O 3.55Å; Y481-K488 WeakPolarHBondContact CA-O 3.33Å; Y481-K489 HydrophobicContact CD1-CG 4.01Å; Y481-K489 HydrophobicContact CE1-CG 3.73Å; Y481-V490 VanDerWaalsContact C-CG2 3.41Å
482T63.1Low67.1Low33 Ų3393.9 Ų93.920%0.20247%0.473CS..SBendtrans-79.2-18.7176.343.50000113.1E473 L475 K488 V490E473-T482 VanDerWaalsContact CD-O 3.3Å; E473-T482 WeakPolarHBondContact CG-O 3.48Å; L475-T482 HydrophobicContact CD1-CG2 3.83Å; L475-T482 HydrophobicContact CD2-CG2 4.38Å; T482-K488 PolarHBondContact N-O 3.3Å; T482-K488 VanDerWaalsContact OG1-CB 3.27Å; T482-K488 WeakPolarHBondContact OG1-CB 3.36Å; T482-K488 WeakPolarHBondContact OG1-CG 3.3Å; T482-K488 PolarHBondContact OG1-O 3.25Å; T482-V490 HydrophobicContact CG2-CB 4.4Å; T482-V490 HydrophobicContact CG2-CG2 3.78Å
483D65.5Low65.6Low31 Ų3197.8 Ų97.817%0.16649%0.485CS..  trans-159.7125.8176.4172-5.1000106.3E473 Y481 R485 N486 K487E473-D483 WeakPolarHBondContact OE1-CB 3.42Å; Y481-D483 VanDerWaalsContact C-N 3.31Å; D483-R485 VanDerWaalsContact C-N 3.31Å; D483-R485 PolarHBondContact O-N 3.42Å; D483-R485 WeakPolarHBondContact OD1-CA 3.07Å; D483-R485 WeakPolarHBondContact OD1-CB 3.24Å; D483-R485 PolarHBondContact OD1-N 3.01Å; D483-N486 HydrophobicContact CB-CB 4.27Å; D483-N486 PolarHBondContact OD1-N 3Å; D483-N486 VanDerWaalsContact OD2-CB 3.31Å; D483-N486 WeakPolarHBondContact OD2-CB 3.31Å; D483-N486 VanDerWaalsContact OD2-CG 3.25Å; D483-N486 PolarHBondContact OD2-N 3.34Å; D483-N486 PolarHBondContact OD2-ND2 3.32Å; D483-K487 WeakPolarHBondContact O-CA 3.31Å; D483-K487 PolarHBondContact O-N 3.4Å
484N63.1Low64.3Low68 Ų68103.7 Ų103.736%0.36451%0.509SS..THydrogen-bonded Turntrans-70-24.8-179.4-73.6-39.3000113.2
485R65.8Low63Low154 Ų154106.1 Ų106.158%0.58152%0.523SS*.THydrogen-bonded Turntrans-75.8-49.1174.1-83176.5150.7147-2.3111.5D341 D483 K487D341-R485 PolarHBondContact O-NH1 3.19Å; D341-R485 VanDerWaalsContact O-NH1 3.11Å; D341-R485 PolarHBondContact O-NH2 3.11Å; D483-R485 VanDerWaalsContact C-N 3.31Å; D483-R485 PolarHBondContact O-N 3.42Å; D483-R485 WeakPolarHBondContact OD1-CA 3.07Å; D483-R485 WeakPolarHBondContact OD1-CB 3.24Å; D483-R485 PolarHBondContact OD1-N 3.01Å; R485-K487 VanDerWaalsContact C-N 3.35Å
486N65.6Low62.1Low129 Ų129106.5 Ų106.569%0.6952%0.521SS*.THydrogen-bonded Turntrans-84.6-7.2-176.9-72.6-43.5000114D483 K488D483-N486 HydrophobicContact CB-CB 4.27Å; D483-N486 PolarHBondContact OD1-N 3Å; D483-N486 VanDerWaalsContact OD2-CB 3.31Å; D483-N486 WeakPolarHBondContact OD2-CB 3.31Å; D483-N486 VanDerWaalsContact OD2-CG 3.25Å; D483-N486 PolarHBondContact OD2-N 3.34Å; D483-N486 PolarHBondContact OD2-ND2 3.32Å; N486-K488 PolarHBondContact O-N 2.97Å
487K68.4Low61.7Low121 Ų121104.8 Ų104.853%0.52652%0.515SS..THydrogen-bonded Turntrans48.532.2179.4-63.2-173.7179.9-179.10113.2Y481 D483 R485 K489Y481-K487 HydrophobicContact CD1-CB 4.34Å; Y481-K487 WeakPolarHBondContact CD1-O 3.49Å; Y481-K487 HydrophobicContact CE1-CB 4.4Å; D483-K487 WeakPolarHBondContact O-CA 3.31Å; D483-K487 PolarHBondContact O-N 3.4Å; R485-K487 VanDerWaalsContact C-N 3.35Å; K487-K489 PolarHBondContact O-N 2.91Å
488K64.9Low61.4Low144 Ų14498.8 Ų98.863%0.62649%0.489SS*.  trans-77.4112.3179.3-179-178.9178.3-172.80107.9Y481 T482 N486 V490Y481-K488 CarbonylContact C-O 3.55Å; Y481-K488 WeakPolarHBondContact CA-O 3.33Å; T482-K488 PolarHBondContact N-O 3.3Å; T482-K488 VanDerWaalsContact OG1-CB 3.27Å; T482-K488 WeakPolarHBondContact OG1-CB 3.36Å; T482-K488 WeakPolarHBondContact OG1-CG 3.3Å; T482-K488 PolarHBondContact OG1-O 3.25Å; N486-K488 PolarHBondContact O-N 2.97Å; K488-V490 PolarHBondContact O-N 3.41Å
489K65.3Low61.3Low161 Ų16198.3 Ų98.370%0.748%0.48SS*.BIsolated β-bridgetrans-61.4136.8-177.7-72.9-175.3176.4-176.60110.9Y481 K487Y481-K489 HydrophobicContact CD1-CG 4.01Å; Y481-K489 HydrophobicContact CE1-CG 3.73Å; K487-K489 PolarHBondContact O-N 2.91Å
490V64.2Low60.8Low47 Ų4798.9 Ų98.929%0.28549%0.487SS..PPolyproline II helixtrans-64.2145.6166.9-174.80000108L480 Y481 T482 K488L480-V490 PolarHBondContact O-N 2.94Å; L480-V490 VanDerWaalsContact O-N 3.09Å; Y481-V490 VanDerWaalsContact C-CG2 3.41Å; T482-V490 HydrophobicContact CG2-CB 4.4Å; T482-V490 HydrophobicContact CG2-CG2 3.78Å; K488-V490 PolarHBondContact O-N 3.41Å
491D60.3Low60.2Low144 Ų14496.5 Ų96.577%0.7748%0.478SS*.PPolyproline II helixtrans-53.9129172.7-81-44.1000109.3H493D491-H493 PolarHBondContact O-N 3.32Å
492P54.7Low59.6Low120 Ų12093.2 Ų93.278%0.77947%0.465SS*.  trans-61.9109.8-169.921.1-30.7000110.2K494P492-K494 PolarHBondContact O-N 2.95Å
493H52.2Low59.4Low134 Ų13495.2 Ų95.262%0.6247%0.471SS*.  trans-62.2124.6173.3-138.677.3000108.5D491 N495 K496D491-H493 PolarHBondContact O-N 3.32Å; H493-N495 PolarHBondContact O-N 3.31Å; H493-K496 PolarHBondContact O-N 3.33Å
494K50.8Low59Low207 Ų20799.7 Ų99.790%0.949%0.491SS*.THydrogen-bonded Turntrans-60.9-9.3-176.1-81.8-177.6176.3179.20114.5P492P492-K494 PolarHBondContact O-N 2.95Å
495N50.1Low58.4Low132 Ų132102.8 Ų102.871%0.70651%0.508SS*.THydrogen-bonded Turntrans-107.55.3-171.8-62.5-19.4000114.7H493 P497H493-N495 PolarHBondContact O-N 3.31Å; N495-P497 WeakPolarHBondContact O-CD 3.34Å
496K54.7Low57.7Low90 Ų9099 Ų9939%0.39152%0.517SS..  trans-65.5116.6174.6-91.4-176.7172.6175.70109.4S478 D479 L480 H493 D498S478-K496 PolarHBondContact O-NZ 2.96Å; D479-K496 PolarHBondContact O-NZ 3.39Å; D479-K496 VanDerWaalsContact O-NZ 3.1Å; L480-K496 HydrophobicContact CD2-CD 4.39Å; H493-K496 PolarHBondContact O-N 3.33Å; K496-D498 PolarHBondContact O-N 3.42Å
497P57.7Low56.8Low54 Ų54100.9 Ų100.935%0.35153%0.527SS..  trans-66.2126.3176.526.3-31.4000109N495 F499N495-P497 WeakPolarHBondContact O-CD 3.34Å; P497-F499 HydrophobicContact CB-CE2 4.15Å; P497-F499 HydrophobicContact CB-CZ 4.16Å; P497-F499 HydrophobicContact CG-CD2 4.43Å; P497-F499 HydrophobicContact CG-CE2 3.62Å; P497-F499 HydrophobicContact CG-CZ 3.82Å; P497-F499 WeakPolarHBondContact O-CD2 3.2Å; P497-F499 PolarHBondContact O-N 3.19Å
498D58.8Low56.1Low60 Ų6098.8 Ų98.832%0.32153%0.527SS..  trans-83.293.1-177.9-169-4.3000109.6K496 S500 R539K496-D498 PolarHBondContact O-N 3.42Å; D498-S500 VanDerWaalsContact C-N 3.26Å; D498-S500 VanDerWaalsContact OD1-CB 3.29Å; D498-S500 WeakPolarHBondContact OD1-CB 3.21Å; D498-S500 PolarHBondContact OD1-N 3.48Å; D498-S500 PolarHBondContact OD1-OG 2.93Å; D498-R539 IonicContact OD2-NE 2.76Å
499F60Low55.6Low44 Ų44102 Ų10219%0.19354%0.541CS..G310 helixtrans-74.1-18.4178.1-65.1-74.5000112.8E368 P497 A501 F502 L518E368-F499 HydrophobicContact CG-CB 4.5Å; E368-F499 HydrophobicContact CG-CD2 4.45Å; P497-F499 HydrophobicContact CB-CE2 4.15Å; P497-F499 HydrophobicContact CB-CZ 4.16Å; P497-F499 HydrophobicContact CG-CD2 4.43Å; P497-F499 HydrophobicContact CG-CE2 3.62Å; P497-F499 HydrophobicContact CG-CZ 3.82Å; P497-F499 WeakPolarHBondContact O-CD2 3.2Å; P497-F499 PolarHBondContact O-N 3.19Å; F499-A501 PolarHBondContact O-N 3.04Å; F499-A501 VanDerWaalsContact O-N 3.11Å; F499-F502 PolarHBondContact O-N 3.43Å; F499-L518 HydrophobicContact CE1-CD2 4.47Å
500S58.6Low55.5Low55 Ų5595.7 Ų95.739%0.38552%0.516SS..G310 helixtrans-58-27.4174.681.90000112.4E368 D498 F502 K503E368-S500 PolarHBondContact OE1-N 3.06Å; D498-S500 VanDerWaalsContact C-N 3.26Å; D498-S500 VanDerWaalsContact OD1-CB 3.29Å; D498-S500 WeakPolarHBondContact OD1-CB 3.21Å; D498-S500 PolarHBondContact OD1-N 3.48Å; D498-S500 PolarHBondContact OD1-OG 2.93Å; S500-F502 PolarHBondContact O-N 2.73Å; S500-F502 VanDerWaalsContact O-N 3.13Å; S500-K503 PolarHBondContact O-N 3.01Å
501A53.3Low55.5Low22 Ų22102.2 Ų102.218%0.18254%0.541CS..G310 helixtrans-68.6-3.3174.600000114.5F499 L542 R546F499-A501 PolarHBondContact O-N 3.04Å; F499-A501 VanDerWaalsContact O-N 3.11Å; A501-L542 HydrophobicContact CB-CB 4.27Å; A501-L542 HydrophobicContact CB-CD1 3.57Å; A501-L542 HydrophobicContact CB-CD2 3.68Å; A501-L542 HydrophobicContact CB-CG 4.01Å; A501-L542 WeakPolarHBondContact O-CD2 3.45Å; A501-R546 PolarHBondContact O-NE 3.47Å; A501-R546 PolarHBondContact O-NH2 3.49Å
502F54.9Low56.2Low7 Ų796.2 Ų96.23%0.03151%0.509CS..G310 helixtrans-111.4-3.9173.9-62.7-80.1000113.7F360 F499 S500 Q504 M517 L518 H521 L542F360-F502 HydrophobicContact CE1-CB 3.45Å; F360-F502 VanDerWaalsContact CE1-CB 3.45Å; F360-F502 HydrophobicContact CE2-CB 4.42Å; F360-F502 HydrophobicContact CZ-CB 3.3Å; F360-F502 HydrophobicContact CZ-CG 4.11Å; F499-F502 PolarHBondContact O-N 3.43Å; S500-F502 PolarHBondContact O-N 2.73Å; S500-F502 VanDerWaalsContact O-N 3.13Å; F502-Q504 PolarHBondContact O-N 3.01Å; F502-M517 HydrophobicContact CD1-CB 4.16Å; F502-M517 HydrophobicContact CD1-CG 3.95Å; F502-M517 HydrophobicContact CD1-SD 4.21Å; F502-M517 HydrophobicContact CE1-CB 4.41Å; F502-M517 HydrophobicContact CE1-CG 4.02Å; F502-L518 HydrophobicContact CD1-CB 4.1Å; F502-L518 HydrophobicContact CD2-CD1 4.19Å; F502-L518 HydrophobicContact CE1-CB 3.82Å; F502-L518 HydrophobicContact CE1-CD1 4.03Å; F502-L518 HydrophobicContact CE2-CD1 3.45Å; F502-L518 VanDerWaalsContact CE2-CD1 3.45Å; F502-L518 HydrophobicContact CZ-CB 4.06Å; F502-L518 HydrophobicContact CZ-CD1 3.34Å; F502-L518 HydrophobicContact CZ-CG 4.3Å; F502-H521 HydrophobicContact CE1-CB 4.19Å; F502-H521 HydrophobicContact CZ-CB 4.04Å; F502-L542 HydrophobicContact CD1-CD2 3.78Å; F502-L542 HydrophobicContact CD2-CD2 4.16Å; F502-L542 HydrophobicContact CE1-CD2 3.33Å; F502-L542 HydrophobicContact CE1-CG 4.29Å; F502-L542 HydrophobicContact CE2-CD1 3.93Å; F502-L542 HydrophobicContact CE2-CD2 3.77Å; F502-L542 HydrophobicContact CE2-CG 4.31Å; F502-L542 HydrophobicContact CG-CD2 4.16Å; F502-L542 HydrophobicContact CZ-CD1 3.96Å; F502-L542 HydrophobicContact CZ-CD2 3.35Å; F502-L542 HydrophobicContact CZ-CG 3.9Å
503K58.6Low57.1Low75 Ų7593.2 Ų93.233%0.32649%0.488SS..SBendtrans-64121.9173.6-72-178.6177.5171.40111E368 S500 D505 R546E368-K503 IonicContact OE2-NZ 3.28Å; S500-K503 PolarHBondContact O-N 3.01Å; K503-D505 PolarHBondContact O-N 2.91Å; K503-D505 VanDerWaalsContact O-N 3.15Å; K503-R546 PolarHBondContact O-NH2 3Å
504Q56.3Low58.2Low125 Ų12587.6 Ų87.658%0.58446%0.464SS*.  trans-70.5107.3178.3-82.1-176.55.300110.6F502 I512 P514F502-Q504 PolarHBondContact O-N 3.01Å; Q504-I512 PolarHBondContact NE2-O 3.5Å; Q504-P514 HydrophobicContact CG-CG 4.25Å
505D52.4Low59.4Low133 Ų13379.8 Ų79.871%0.71143%0.43SS*.  trans-83118.6159-66.6-45.1000107.4K503 D507 R546K503-D505 PolarHBondContact O-N 2.91Å; K503-D505 VanDerWaalsContact O-N 3.15Å; D505-D507 PolarHBondContact O-N 3.36Å; D505-R546 IonicContact OD2-NH1 3.9Å
506G49.7Very low60.8Low75 Ų7574.9 Ų74.977%0.77340%0.404SS*.SBendtrans-62.7106.3-17500000112.3
507D48.1Very low62.1Low168 Ų16872 Ų7290%0.89839%0.392SS*.  trans17540.4145.7-97.4-14000113.1D505D505-D507 PolarHBondContact O-N 3.36Å
508S53.7Low63.2Low77 Ų7771.4 Ų71.454%0.53839%0.386SS..  trans-90132171.2-67.70000111.3V510S508-V510 PolarHBondContact O-N 3.42Å
509K54Low64.3Low211 Ų21170.6 Ų70.692%0.91739%0.388SS*.SBendtrans-61.5-20.8177.7-90.6-178.1176.3176.90114
510V62.5Low65.4Low29 Ų2969.1 Ų69.118%0.17638%0.383CS..SBendtrans-123.5122.2-179.3171.60000107.4S508 I512 I551 E553S508-V510 PolarHBondContact O-N 3.42Å; V510-I512 HydrophobicContact CG1-CD1 4.45Å; V510-I512 HydrophobicContact CG1-CG1 4.33Å; V510-I551 HydrophobicContact CG1-CG2 3.95Å; V510-E553 HydrophobicContact CG1-CG 3.78Å; V510-E553 WeakPolarHBondContact CG1-OE1 3.27Å; V510-E553 HydrophobicContact CG2-CG 4.19Å
511K65.1Low66.6Low185 Ų18566.6 Ų66.680%0.80437%0.365SS*.  trans-92.8107.5-177.4-69.4-173.9179.2-173.20109.5
512I73.8Confident68.1Low18 Ų1870 Ų709%0.09237%0.373CS..  trans-109.1137.7173.6-80.9175000110Q504 V510 L516 M517 I551 Q691Q504-I512 PolarHBondContact NE2-O 3.5Å; V510-I512 HydrophobicContact CG1-CD1 4.45Å; V510-I512 HydrophobicContact CG1-CG1 4.33Å; I512-L516 HydrophobicContact CG2-CB 4.1Å; I512-L516 HydrophobicContact CG2-CD2 4.09Å; I512-L516 HydrophobicContact CG2-CG 4.21Å; I512-M517 HydrophobicContact CG2-CB 4.06Å; I512-M517 HydrophobicContact CG2-CE 4.35Å; I512-I551 HydrophobicContact CD1-CB 4.17Å; I512-I551 HydrophobicContact CD1-CD1 3.51Å; I512-I551 HydrophobicContact CD1-CG1 4.3Å; I512-I551 HydrophobicContact CD1-CG2 3.12Å; I512-I551 HydrophobicContact CG1-CG2 4.33Å; I512-Q691 HydrophobicContact CD1-CG 4.17Å; I512-Q691 VanDerWaalsContact CG1-CD 3.43Å; I512-Q691 HydrophobicContact CG1-CG 4.48Å; I512-Q691 VanDerWaalsContact CG1-NE2 3.26Å
513T73.9Confident69.6Low56 Ų5671.7 Ų71.734%0.34438%0.381SS..  trans-63.8136.3174650000109.9D399 Q515 L516 M517D399-T513 WeakPolarHBondContact OD1-CB 3.4Å; D399-T513 WeakPolarHBondContact OD2-CB 3.09Å; D399-T513 PolarHBondContact OD2-OG1 3.45Å; T513-Q515 PolarHBondContact O-N 3.48Å; T513-Q515 VanDerWaalsContact O-N 3.11Å; T513-L516 PolarHBondContact O-N 2.83Å; T513-L516 WeakPolarHBondContact OG1-CB 3.28Å; T513-L516 PolarHBondContact OG1-N 2.63Å; T513-M517 PolarHBondContact O-N 2.76Å; T513-M517 VanDerWaalsContact O-N 3.11Å
514P75.8Confident70.9Confident17 Ų1768.2 Ų68.211%0.1137%0.366CS..Hα-helixtrans-54.7-31.5-179.4-28.636.3000113.7F360 Q504 M517 L518F360-P514 HydrophobicContact CB-CB 4.17Å; F360-P514 HydrophobicContact CB-CG 4.13Å; F360-P514 HydrophobicContact CD1-CB 3.49Å; F360-P514 VanDerWaalsContact CD1-CB 3.49Å; F360-P514 HydrophobicContact CD1-CG 3.9Å; F360-P514 HydrophobicContact CD2-CB 3.57Å; F360-P514 HydrophobicContact CD2-CG 4.43Å; F360-P514 HydrophobicContact CE1-CB 3.7Å; F360-P514 HydrophobicContact CE1-CG 4.49Å; F360-P514 HydrophobicContact CE2-CB 3.76Å; F360-P514 HydrophobicContact CG-CB 3.43Å; F360-P514 VanDerWaalsContact CG-CB 3.43Å; F360-P514 HydrophobicContact CG-CG 3.88Å; F360-P514 HydrophobicContact CZ-CB 3.84Å; Q504-P514 HydrophobicContact CG-CG 4.25Å; P514-M517 WeakPolarHBondContact O-CB 3.43Å; P514-M517 PolarHBondContact O-N 3Å; P514-L518 WeakPolarHBondContact O-CB 3.38Å; P514-L518 PolarHBondContact O-N 3.45Å
515Q75.4Confident72.2Confident43 Ų4362.7 Ų62.720%0.20134%0.341CS..Hα-helixtrans-66-45.1175.2-70.5-170.763.900113.7F360 D397 P398 D399 T513 M517 L518 A519F360-Q515 HydrophobicContact CD2-CG 4.19Å; D397-Q515 VanDerWaalsContact OD1-CD 3.32Å; D397-Q515 PolarHBondContact OD1-NE2 3.09Å; D397-Q515 PolarHBondContact OD1-OE1 3.49Å; P398-Q515 VanDerWaalsContact C-NE2 3.26Å; P398-Q515 VanDerWaalsContact CA-NE2 3.32Å; P398-Q515 HydrophobicContact CB-CG 4.22Å; P398-Q515 HydrophobicContact CG-CG 3.72Å; P398-Q515 VanDerWaalsContact N-NE2 3.13Å; D399-Q515 PolarHBondContact OD1-NE2 2.87Å; T513-Q515 PolarHBondContact O-N 3.48Å; T513-Q515 VanDerWaalsContact O-N 3.11Å; Q515-M517 PolarHBondContact O-N 2.87Å; Q515-L518 PolarHBondContact O-N 3.26Å; Q515-L518 VanDerWaalsContact O-N 3.15Å; Q515-A519 WeakPolarHBondContact O-CB 3.46Å; Q515-A519 PolarHBondContact O-N 3.42Å
516L80.7Confident73.8Confident29 Ų2961.1 Ų61.115%0.15234%0.337CS..Hα-helixtrans-61.6-37.8174.8176.460.6000110.6I512 T513 A519 A520 Q581 F600I512-L516 HydrophobicContact CG2-CB 4.1Å; I512-L516 HydrophobicContact CG2-CD2 4.09Å; I512-L516 HydrophobicContact CG2-CG 4.21Å; T513-L516 PolarHBondContact O-N 2.83Å; T513-L516 WeakPolarHBondContact OG1-CB 3.28Å; T513-L516 PolarHBondContact OG1-N 2.63Å; L516-A519 PolarHBondContact O-N 3.46Å; L516-A520 VanDerWaalsContact O-CB 3.28Å; L516-A520 WeakPolarHBondContact O-CB 3.32Å; L516-A520 PolarHBondContact O-N 2.82Å; L516-Q581 HydrophobicContact CD1-CG 4.21Å; L516-Q581 HydrophobicContact CD2-CG 4.29Å; L516-Q581 VanDerWaalsContact CD2-OE1 3.3Å; L516-F600 HydrophobicContact CD1-CZ 4Å
517M80.1Confident75.4Confident29 Ų2963 Ų6314%0.14333%0.325CS..Hα-helixtrans-64.4-41.6174.2-170.6176.8-67.700112.1F502 I512 T513 P514 Q515 A520 H521 R546 I551F502-M517 HydrophobicContact CD1-CB 4.16Å; F502-M517 HydrophobicContact CD1-CG 3.95Å; F502-M517 HydrophobicContact CD1-SD 4.21Å; F502-M517 HydrophobicContact CE1-CB 4.41Å; F502-M517 HydrophobicContact CE1-CG 4.02Å; I512-M517 HydrophobicContact CG2-CB 4.06Å; I512-M517 HydrophobicContact CG2-CE 4.35Å; T513-M517 PolarHBondContact O-N 2.76Å; T513-M517 VanDerWaalsContact O-N 3.11Å; P514-M517 WeakPolarHBondContact O-CB 3.43Å; P514-M517 PolarHBondContact O-N 3Å; Q515-M517 PolarHBondContact O-N 2.87Å; M517-A520 PolarHBondContact O-N 3.39Å; M517-H521 WeakPolarHBondContact O-CB 3.37Å; M517-H521 PolarHBondContact O-N 3.29Å; M517-R546 HydrophobicContact SD-CG 4.22Å; M517-I551 HydrophobicContact CE-CD1 4.32Å
518L80.9Confident77Confident41 Ų4155.2 Ų55.222%0.21528%0.284CS..Hα-helixtrans-65-43.6174.9178.464.6000111.8F499 F502 P514 Q515 H521 R522F499-L518 HydrophobicContact CE1-CD2 4.47Å; F502-L518 HydrophobicContact CD1-CB 4.1Å; F502-L518 HydrophobicContact CD2-CD1 4.19Å; F502-L518 HydrophobicContact CE1-CB 3.82Å; F502-L518 HydrophobicContact CE1-CD1 4.03Å; F502-L518 HydrophobicContact CE2-CD1 3.45Å; F502-L518 VanDerWaalsContact CE2-CD1 3.45Å; F502-L518 HydrophobicContact CZ-CB 4.06Å; F502-L518 HydrophobicContact CZ-CD1 3.34Å; F502-L518 HydrophobicContact CZ-CG 4.3Å; P514-L518 WeakPolarHBondContact O-CB 3.38Å; P514-L518 PolarHBondContact O-N 3.45Å; Q515-L518 PolarHBondContact O-N 3.26Å; Q515-L518 VanDerWaalsContact O-N 3.15Å; L518-H521 WeakPolarHBondContact O-CB 3.08Å; L518-H521 PolarHBondContact O-N 3.17Å; L518-R522 HydrophobicContact CD1-CG 4.35Å; L518-R522 WeakPolarHBondContact O-CB 3.41Å; L518-R522 WeakPolarHBondContact O-CG 3.35Å; L518-R522 PolarHBondContact O-N 2.95Å
519A82.3Confident78.4Confident44 Ų4457.7 Ų57.736%0.36429%0.291SS..Hα-helixtrans-62-44.8175.300000111.2Q515 L516 R522 F523 F600Q515-A519 WeakPolarHBondContact O-CB 3.46Å; Q515-A519 PolarHBondContact O-N 3.42Å; L516-A519 PolarHBondContact O-N 3.46Å; A519-R522 PolarHBondContact O-N 3.41Å; A519-F523 WeakPolarHBondContact O-CB 3.31Å; A519-F523 PolarHBondContact O-N 3.49Å; A519-F600 HydrophobicContact CB-CE1 4.33Å; A519-F600 HydrophobicContact CB-CZ 4Å
520A83.2Confident79.8Confident12 Ų1249 Ų4910%0.09925%0.254CS..Hα-helixtrans-62.9-41.3175.400000112.2L516 M517 L524L516-A520 VanDerWaalsContact O-CB 3.28Å; L516-A520 WeakPolarHBondContact O-CB 3.32Å; L516-A520 PolarHBondContact O-N 2.82Å; M517-A520 PolarHBondContact O-N 3.39Å; A520-L524 WeakPolarHBondContact O-CB 3.46Å; A520-L524 VanDerWaalsContact O-CG 3.29Å; A520-L524 WeakPolarHBondContact O-CG 3.43Å; A520-L524 PolarHBondContact O-N 3.08Å
521H84.3Confident80.9Confident2 Ų247.7 Ų47.71%0.00925%0.247CC..Hα-helixtrans-60.3-51.5174.4174.2-90.4000111.8F502 M517 L518 F523 L524 A525 E538 L545F502-H521 HydrophobicContact CE1-CB 4.19Å; F502-H521 HydrophobicContact CZ-CB 4.04Å; M517-H521 WeakPolarHBondContact O-CB 3.37Å; M517-H521 PolarHBondContact O-N 3.29Å; L518-H521 WeakPolarHBondContact O-CB 3.08Å; L518-H521 PolarHBondContact O-N 3.17Å; H521-F523 PolarHBondContact O-N 3.44Å; H521-L524 PolarHBondContact O-N 2.87Å; H521-A525 WeakPolarHBondContact O-CB 3.29Å; H521-A525 PolarHBondContact O-N 3.1Å; H521-E538 PolarHBondContact NE2-O 3.44Å; H521-E538 VanDerWaalsContact NE2-O 3.08Å; H521-L545 HydrophobicContact CB-CD1 3.83Å
522R84.8Confident81.8Confident94 Ų9439.7 Ų39.736%0.35521%0.214SC..Hα-helixtrans-63.8-42.2179.7-71.4-64.1-177.5-159.4-3.9112L518 A519 A525 T526 E538L518-R522 HydrophobicContact CD1-CG 4.35Å; L518-R522 WeakPolarHBondContact O-CB 3.41Å; L518-R522 WeakPolarHBondContact O-CG 3.35Å; L518-R522 PolarHBondContact O-N 2.95Å; A519-R522 PolarHBondContact O-N 3.41Å; R522-A525 PolarHBondContact O-N 3.33Å; R522-T526 WeakPolarHBondContact O-CB 3.33Å; R522-T526 WeakPolarHBondContact O-CG2 3.21Å; R522-T526 PolarHBondContact O-N 3.26Å; R522-T526 VanDerWaalsContact O-N 3.09Å; R522-T526 PolarHBondContact O-OG1 3.48Å; R522-E538 IonicContact CZ-OE1 3.93Å; R522-E538 IonicContact NH1-OE1 2.81Å; R522-E538 PolarHBondContact NH1-OE1 2.92Å; R522-E538 IonicContact NH1-OE2 3.8Å
523F86.5Confident82.3Confident42 Ų4242 Ų4218%0.18423%0.23CC..Hα-helixtrans-59.6-50.5175.3177.6-100.8000111.6A519 H521 A525 T526 E527 V579 F600 Y602A519-F523 WeakPolarHBondContact O-CB 3.31Å; A519-F523 PolarHBondContact O-N 3.49Å; H521-F523 PolarHBondContact O-N 3.44Å; F523-A525 PolarHBondContact O-N 2.95Å; F523-T526 PolarHBondContact O-N 3.4Å; F523-T526 PolarHBondContact O-OG1 3.35Å; F523-E527 HydrophobicContact CD2-CB 4.22Å; F523-E527 HydrophobicContact CD2-CG 3.85Å; F523-E527 HydrophobicContact CE2-CB 3.93Å; F523-E527 HydrophobicContact CE2-CG 3.68Å; F523-E527 HydrophobicContact CZ-CB 4.19Å; F523-E527 HydrophobicContact CZ-CG 4.42Å; F523-E527 WeakPolarHBondContact O-CB 3.34Å; F523-E527 PolarHBondContact O-N 3.06Å; F523-V579 HydrophobicContact CD1-CG1 4.4Å; F523-V579 HydrophobicContact CE1-CG1 4.33Å; F523-F600 HydrophobicContact CB-CD1 3.94Å; F523-F600 HydrophobicContact CB-CE1 4.2Å; F523-F600 HydrophobicContact CD1-CB 4.44Å; F523-F600 AromaticContact CD1-CD1 3.85Å; F523-F600 HydrophobicContact CD1-CD1 3.85Å; F523-F600 HydrophobicContact CD2-CB 4.3Å; F523-F600 HydrophobicContact CD2-CD1 4.15Å; F523-F600 HydrophobicContact CE1-CB 4.21Å; F523-F600 HydrophobicContact CE1-CD1 4.43Å; F523-F600 WeakPolarHBondContact CE1-O 3.4Å; F523-F600 HydrophobicContact CE2-CB 4.06Å; F523-F600 HydrophobicContact CG-CB 4.48Å; F523-F600 AromaticContact CG-CD1 3.7Å; F523-F600 HydrophobicContact CG-CD1 3.7Å; F523-F600 HydrophobicContact CG-CE1 4.45Å; F523-F600 HydrophobicContact CG-CG 4.5Å; F523-F600 HydrophobicContact CZ-CB 4.03Å; F523-F600 WeakPolarHBondContact CZ-O 3.26Å; F523-Y602 AromaticContact CE1-CD1 3.87Å; F523-Y602 HydrophobicContact CE1-CD1 3.87Å; F523-Y602 AromaticContact CZ-CD1 3.75Å; F523-Y602 HydrophobicContact CZ-CD1 3.75Å; F523-Y602 HydrophobicContact CZ-CE1 4.1Å
524L84.9Confident82.7Confident3 Ų348.9 Ų48.92%0.01626%0.256CS..Hα-helixtrans-61.9-42.5178.6-77.2173.2000112.4A520 H521 T526 V528 F531 L541 L545 V579A520-L524 WeakPolarHBondContact O-CB 3.46Å; A520-L524 VanDerWaalsContact O-CG 3.29Å; A520-L524 WeakPolarHBondContact O-CG 3.43Å; A520-L524 PolarHBondContact O-N 3.08Å; H521-L524 PolarHBondContact O-N 2.87Å; L524-T526 VanDerWaalsContact C-N 3.31Å; L524-T526 PolarHBondContact O-N 2.86Å; L524-V528 HydrophobicContact CD2-CB 4.44Å; L524-V528 HydrophobicContact CD2-CG2 3.97Å; L524-V528 WeakPolarHBondContact O-CB 3.36Å; L524-V528 PolarHBondContact O-N 2.97Å; L524-F531 HydrophobicContact CB-CB 4.26Å; L524-F531 HydrophobicContact CD2-CD2 3.99Å; L524-F531 HydrophobicContact CD2-CE2 4.3Å; L524-F531 WeakPolarHBondContact O-CB 3.32Å; L524-L541 HydrophobicContact CB-CD2 4.29Å; L524-L541 HydrophobicContact CD1-CD1 4.44Å; L524-L545 HydrophobicContact CD1-CD1 4.46Å; L524-L545 HydrophobicContact CD1-CD2 3.87Å; L524-V579 HydrophobicContact CD2-CG2 3.77Å
525A85.3Confident83Confident8 Ų852 Ų527%0.06627%0.269CS..Hα-helixtrans-67-30.1-17900000113.3H521 R522 F523 S532 P533 L541H521-A525 WeakPolarHBondContact O-CB 3.29Å; H521-A525 PolarHBondContact O-N 3.1Å; R522-A525 PolarHBondContact O-N 3.33Å; F523-A525 PolarHBondContact O-N 2.95Å; A525-S532 WeakPolarHBondContact O-CA 3.42Å; A525-P533 WeakPolarHBondContact O-CD 3.18Å; A525-L541 HydrophobicContact CB-CD2 4Å
526T84.8Confident83.5Confident100 Ų10050 Ų5061%0.61326%0.26SS*.Hα-helixtrans-99.5-46.5-173.553.30000113.3R522 F523 L524R522-T526 WeakPolarHBondContact O-CB 3.33Å; R522-T526 WeakPolarHBondContact O-CG2 3.21Å; R522-T526 PolarHBondContact O-N 3.26Å; R522-T526 VanDerWaalsContact O-N 3.09Å; R522-T526 PolarHBondContact O-OG1 3.48Å; F523-T526 PolarHBondContact O-N 3.4Å; F523-T526 PolarHBondContact O-OG1 3.35Å; L524-T526 VanDerWaalsContact C-N 3.31Å; L524-T526 PolarHBondContact O-N 2.86Å
527E82.8Confident83.7Confident115 Ų11550.4 Ų50.454%0.53726%0.263SS..Hα-helixtrans-87.5-30.2-174.1-70-69160.400112.7F523F523-E527 HydrophobicContact CD2-CB 4.22Å; F523-E527 HydrophobicContact CD2-CG 3.85Å; F523-E527 HydrophobicContact CE2-CB 3.93Å; F523-E527 HydrophobicContact CE2-CG 3.68Å; F523-E527 HydrophobicContact CZ-CB 4.19Å; F523-E527 HydrophobicContact CZ-CG 4.42Å; F523-E527 WeakPolarHBondContact O-CB 3.34Å; F523-E527 PolarHBondContact O-N 3.06Å
528V83.5Confident83.7Confident5 Ų552.2 Ų52.23%0.0327%0.271CS..  trans-102.8101.6-176.7-1700000111L524 L530 F531 S532 Y602 V605L524-V528 HydrophobicContact CD2-CB 4.44Å; L524-V528 HydrophobicContact CD2-CG2 3.97Å; L524-V528 WeakPolarHBondContact O-CB 3.36Å; L524-V528 PolarHBondContact O-N 2.97Å; V528-L530 HydrophobicContact CG1-CB 4.49Å; V528-L530 PolarHBondContact O-N 3.43Å; V528-F531 HydrophobicContact CB-CD2 4.03Å; V528-F531 HydrophobicContact CG1-CD2 3.65Å; V528-F531 HydrophobicContact CG1-CE2 4.23Å; V528-F531 PolarHBondContact O-N 2.95Å; V528-S532 PolarHBondContact O-N 3.47Å; V528-Y602 HydrophobicContact CG2-CD1 4.01Å; V528-Y602 HydrophobicContact CG2-CD2 4.4Å; V528-Y602 HydrophobicContact CG2-CE1 4.12Å; V528-Y602 HydrophobicContact CG2-CG 4.15Å; V528-V605 HydrophobicContact CG1-CG1 4.13Å; V528-V605 HydrophobicContact CG1-CG2 4.36Å
529N82.3Confident83.7Confident129 Ų12956.7 Ų56.769%0.6929%0.285SS*.G310 helixtrans-48.5-33.4-177.6-71-31.2000115.6F531 S532N529-F531 VanDerWaalsContact C-N 3.34Å; N529-S532 VanDerWaalsContact O-CB 3.31Å; N529-S532 WeakPolarHBondContact O-CB 3.22Å; N529-S532 PolarHBondContact O-N 2.88Å; N529-S532 PolarHBondContact O-OG 3.24Å
530L83.4Confident83.8Confident27 Ų2754.8 Ų54.814%0.14127%0.269CS..G310 helixtrans-68.8-30.5178-70.9-171.9000113V528 S532 Q535 V605 L608 Y700V528-L530 HydrophobicContact CG1-CB 4.49Å; V528-L530 PolarHBondContact O-N 3.43Å; L530-S532 VanDerWaalsContact C-N 3.35Å; L530-Q535 PolarHBondContact O-OE1 3.01Å; L530-V605 HydrophobicContact CD1-CG1 3.46Å; L530-V605 VanDerWaalsContact CD1-CG1 3.46Å; L530-V605 WeakPolarHBondContact CD1-O 3.47Å; L530-V605 HydrophobicContact CG-CG1 3.89Å; L530-L608 HydrophobicContact CD1-CB 3.76Å; L530-L608 HydrophobicContact CD1-CD1 4.35Å; L530-Y700 HydrophobicContact CB-CE2 4Å; L530-Y700 WeakPolarHBondContact CB-OH 3.34Å; L530-Y700 WeakPolarHBondContact O-CE2 2.99Å; L530-Y700 PolarHBondContact O-OH 3.07Å
531F84.5Confident84Confident3 Ų354.3 Ų54.31%0.01327%0.265CS..G310 helixtrans-97.511.3176.5-62.5-77.3000112.4L524 V528 N529 I536 L541 L608 V695 Y700L524-F531 HydrophobicContact CB-CB 4.26Å; L524-F531 HydrophobicContact CD2-CD2 3.99Å; L524-F531 HydrophobicContact CD2-CE2 4.3Å; L524-F531 WeakPolarHBondContact O-CB 3.32Å; V528-F531 HydrophobicContact CB-CD2 4.03Å; V528-F531 HydrophobicContact CG1-CD2 3.65Å; V528-F531 HydrophobicContact CG1-CE2 4.23Å; V528-F531 PolarHBondContact O-N 2.95Å; N529-F531 VanDerWaalsContact C-N 3.34Å; F531-I536 HydrophobicContact CD1-CD1 3.85Å; F531-I536 HydrophobicContact CE1-CD1 4.24Å; F531-L541 HydrophobicContact CB-CD1 4.2Å; F531-L541 HydrophobicContact CB-CD2 4.44Å; F531-L541 HydrophobicContact CD1-CD1 3.61Å; F531-L541 HydrophobicContact CE1-CD1 4.32Å; F531-L541 HydrophobicContact CG-CD1 4.18Å; F531-L608 HydrophobicContact CE2-CD1 3.73Å; F531-L608 HydrophobicContact CZ-CD1 3.55Å; F531-V695 HydrophobicContact CE1-CG1 4.36Å; F531-V695 HydrophobicContact CZ-CB 4.26Å; F531-V695 HydrophobicContact CZ-CG1 4.12Å; F531-V695 HydrophobicContact CZ-CG2 4.18Å; F531-Y700 HydrophobicContact CD1-CD2 4.25Å; F531-Y700 HydrophobicContact CD1-CE2 4.14Å; F531-Y700 AromaticContact CE1-CD2 3.63Å; F531-Y700 HydrophobicContact CE1-CD2 3.63Å; F531-Y700 AromaticContact CE1-CE2 3.95Å; F531-Y700 HydrophobicContact CE1-CE2 3.95Å; F531-Y700 AromaticContact CZ-CD2 3.95Å; F531-Y700 HydrophobicContact CZ-CD2 3.95Å; F531-Y700 HydrophobicContact CZ-CE2 4.31Å
532S85Confident83.8Confident17 Ų1754.7 Ų54.712%0.11927%0.267CS..SBendtrans-59.1149.9176.863.80000111.7A525 V528 N529 L530 F534 Q535 I536A525-S532 WeakPolarHBondContact O-CA 3.42Å; V528-S532 PolarHBondContact O-N 3.47Å; N529-S532 VanDerWaalsContact O-CB 3.31Å; N529-S532 WeakPolarHBondContact O-CB 3.22Å; N529-S532 PolarHBondContact O-N 2.88Å; N529-S532 PolarHBondContact O-OG 3.24Å; L530-S532 VanDerWaalsContact C-N 3.35Å; S532-F534 PolarHBondContact O-N 3.49Å; S532-Q535 PolarHBondContact O-N 3.25Å; S532-I536 PolarHBondContact O-N 2.8Å
533P83.4Confident83.7Confident67 Ų6757.6 Ų57.644%0.43528%0.278SS..THydrogen-bonded Turntrans-54.2-21.9177.6-2734000114.3A525 I536A525-P533 WeakPolarHBondContact O-CD 3.18Å; P533-I536 WeakPolarHBondContact CA-O 3.39Å
534F82.1Confident83.6Confident200 Ų20056.3 Ų56.388%0.87727%0.273SS*.THydrogen-bonded Turntrans-73.6-25.9176.4-61.9-73.3000113.8S532S532-F534 PolarHBondContact O-N 3.49Å
535Q83.3Confident83.4Confident83 Ų8356.3 Ų56.339%0.38827%0.273SS..THydrogen-bonded Turntrans-104-45.3-179.2-63-167.92100111.8L530 S532 Y700 L704L530-Q535 PolarHBondContact O-OE1 3.01Å; S532-Q535 PolarHBondContact O-N 3.25Å; Q535-Y700 PolarHBondContact OE1-OH 2.82Å; Q535-L704 HydrophobicContact CB-CD2 4.12Å; Q535-L704 WeakPolarHBondContact O-CD2 3.39Å
536I84.8Confident83Confident1 Ų160.1 Ų60.11%0.00529%0.285CS..SBendtrans-125127.8179.2-65.3180000108.3F531 S532 P533 V540 L541 I544 Y700 A703 L704 S707F531-I536 HydrophobicContact CD1-CD1 3.85Å; F531-I536 HydrophobicContact CE1-CD1 4.24Å; S532-I536 PolarHBondContact O-N 2.8Å; P533-I536 WeakPolarHBondContact CA-O 3.39Å; I536-V540 HydrophobicContact CG2-CB 4.03Å; I536-V540 HydrophobicContact CG2-CG1 4Å; I536-L541 HydrophobicContact CG2-CB 3.98Å; I536-I544 HydrophobicContact CD1-CD1 4.32Å; I536-I544 HydrophobicContact CG2-CD1 4.48Å; I536-Y700 HydrophobicContact CD1-CD2 3.6Å; I536-Y700 HydrophobicContact CD1-CE2 3.31Å; I536-Y700 HydrophobicContact CG1-CE2 4.34Å; I536-A703 HydrophobicContact CD1-CB 4.01Å; I536-L704 HydrophobicContact CG1-CD2 3.93Å; I536-L704 HydrophobicContact CG1-CG 4.44Å; I536-S707 WeakPolarHBondContact CA-OG 3.44Å
537T85Confident82.8Confident36 Ų3659 Ų5922%0.22127%0.273CS..  trans-67.5148.3178.460.20000110.5R539 V540 L541 S707 D710T537-R539 PolarHBondContact O-N 3.05Å; T537-R539 VanDerWaalsContact O-N 3.12Å; T537-V540 PolarHBondContact O-N 3.06Å; T537-V540 VanDerWaalsContact OG1-CG2 3.23Å; T537-V540 WeakPolarHBondContact OG1-CG2 3.46Å; T537-L541 PolarHBondContact O-N 2.95Å; T537-S707 PolarHBondContact N-OG 2.9Å; T537-S707 VanDerWaalsContact N-OG 3.16Å; T537-D710 PolarHBondContact OG1-OD2 2.85Å
538E81.1Confident82.3Confident68 Ų6858.1 Ų58.132%0.31828%0.277SS..Hα-helixtrans-54.6-37.3-176.9-67.7-165.9158.500112.5H521 R522 L541 L542H521-E538 PolarHBondContact NE2-O 3.44Å; H521-E538 VanDerWaalsContact NE2-O 3.08Å; R522-E538 IonicContact CZ-OE1 3.93Å; R522-E538 IonicContact NH1-OE1 2.81Å; R522-E538 PolarHBondContact NH1-OE1 2.92Å; R522-E538 IonicContact NH1-OE2 3.8Å; E538-L541 PolarHBondContact O-N 2.96Å; E538-L542 WeakPolarHBondContact O-CB 3.41Å; E538-L542 PolarHBondContact O-N 3.15Å; E538-L542 VanDerWaalsContact O-N 3.1Å
539R81.3Confident81.7Confident134 Ų13464 Ų6451%0.50630%0.304SS..Hα-helixtrans-63.7-41.4176-70.3-177.2168.21462.4113.1D498 T537 L542 R543D498-R539 IonicContact OD2-NE 2.76Å; T537-R539 PolarHBondContact O-N 3.05Å; T537-R539 VanDerWaalsContact O-N 3.12Å; R539-L542 WeakPolarHBondContact O-CB 3.38Å; R539-R543 WeakPolarHBondContact O-CG 3.33Å; R539-R543 PolarHBondContact O-N 3.05Å
540V84.6Confident81.6Confident5 Ų557.9 Ų57.93%0.0327%0.272CS..Hα-helixtrans-73.6-38.7-180174.80000110.5I536 T537 L542 R543 I544 A703 A706 S707I536-V540 HydrophobicContact CG2-CB 4.03Å; I536-V540 HydrophobicContact CG2-CG1 4Å; T537-V540 PolarHBondContact O-N 3.06Å; T537-V540 VanDerWaalsContact OG1-CG2 3.23Å; T537-V540 WeakPolarHBondContact OG1-CG2 3.46Å; V540-L542 VanDerWaalsContact C-N 3.3Å; V540-L542 PolarHBondContact O-N 3.18Å; V540-R543 WeakPolarHBondContact O-CB 3.49Å; V540-R543 PolarHBondContact O-N 3.34Å; V540-R543 VanDerWaalsContact O-N 3.13Å; V540-I544 WeakPolarHBondContact O-CG1 3.43Å; V540-I544 PolarHBondContact O-N 3.17Å; V540-A703 HydrophobicContact CG1-CB 3.73Å; V540-A706 HydrophobicContact CG1-CB 4.14Å; V540-A706 HydrophobicContact CG2-CB 4.18Å; V540-S707 WeakPolarHBondContact CB-OG 3.49Å
541L85.8Confident81.4Confident2 Ų257.6 Ų57.61%0.0127%0.27CS..Hα-helixtrans-57.8-44.4174-18058.3000111.5L524 A525 F531 I536 T537 E538 R543 I544 L545L524-L541 HydrophobicContact CB-CD2 4.29Å; L524-L541 HydrophobicContact CD1-CD1 4.44Å; A525-L541 HydrophobicContact CB-CD2 4Å; F531-L541 HydrophobicContact CB-CD1 4.2Å; F531-L541 HydrophobicContact CB-CD2 4.44Å; F531-L541 HydrophobicContact CD1-CD1 3.61Å; F531-L541 HydrophobicContact CE1-CD1 4.32Å; F531-L541 HydrophobicContact CG-CD1 4.18Å; I536-L541 HydrophobicContact CG2-CB 3.98Å; T537-L541 PolarHBondContact O-N 2.95Å; E538-L541 PolarHBondContact O-N 2.96Å; L541-R543 PolarHBondContact O-N 3.41Å; L541-I544 WeakPolarHBondContact O-CB 3.26Å; L541-I544 PolarHBondContact O-N 3.2Å; L541-I544 VanDerWaalsContact O-N 3.17Å; L541-L545 PolarHBondContact O-N 3.35Å; L541-L545 VanDerWaalsContact O-N 3.09Å
542L81.4Confident81.1Confident9 Ų960.2 Ų60.25%0.04728%0.283CS..Hα-helixtrans-56.8-44.1173.2-99.9152.1000113A501 F502 E538 R539 V540 I544 L545 R546A501-L542 HydrophobicContact CB-CB 4.27Å; A501-L542 HydrophobicContact CB-CD1 3.57Å; A501-L542 HydrophobicContact CB-CD2 3.68Å; A501-L542 HydrophobicContact CB-CG 4.01Å; A501-L542 WeakPolarHBondContact O-CD2 3.45Å; F502-L542 HydrophobicContact CD1-CD2 3.78Å; F502-L542 HydrophobicContact CD2-CD2 4.16Å; F502-L542 HydrophobicContact CE1-CD2 3.33Å; F502-L542 HydrophobicContact CE1-CG 4.29Å; F502-L542 HydrophobicContact CE2-CD1 3.93Å; F502-L542 HydrophobicContact CE2-CD2 3.77Å; F502-L542 HydrophobicContact CE2-CG 4.31Å; F502-L542 HydrophobicContact CG-CD2 4.16Å; F502-L542 HydrophobicContact CZ-CD1 3.96Å; F502-L542 HydrophobicContact CZ-CD2 3.35Å; F502-L542 HydrophobicContact CZ-CG 3.9Å; E538-L542 WeakPolarHBondContact O-CB 3.41Å; E538-L542 PolarHBondContact O-N 3.15Å; E538-L542 VanDerWaalsContact O-N 3.1Å; R539-L542 WeakPolarHBondContact O-CB 3.38Å; V540-L542 VanDerWaalsContact C-N 3.3Å; V540-L542 PolarHBondContact O-N 3.18Å; L542-I544 VanDerWaalsContact C-N 3.31Å; L542-I544 PolarHBondContact O-N 3.04Å; L542-L545 PolarHBondContact O-N 3.34Å; L542-R546 PolarHBondContact O-N 3.03Å; L542-R546 VanDerWaalsContact O-N 3.08Å
543R82.2Confident80.9Confident155 Ų15564.1 Ų64.159%0.58530%0.299SS*.Hα-helixtrans-64.1-34175.9-69178.7-160.51557112.8R539 V540 L541 H547R539-R543 WeakPolarHBondContact O-CG 3.33Å; R539-R543 PolarHBondContact O-N 3.05Å; V540-R543 WeakPolarHBondContact O-CB 3.49Å; V540-R543 PolarHBondContact O-N 3.34Å; V540-R543 VanDerWaalsContact O-N 3.13Å; L541-R543 PolarHBondContact O-N 3.41Å; R543-H547 PolarHBondContact O-N 3.47Å
544I84Confident80.7Confident16 Ų1662 Ų628%0.08228%0.284CS..Hα-helixtrans-65.1-46.4174.9-61.9164.5000109.9I536 V540 L541 L542 R546 H547 V550 V695 A703I536-I544 HydrophobicContact CD1-CD1 4.32Å; I536-I544 HydrophobicContact CG2-CD1 4.48Å; V540-I544 WeakPolarHBondContact O-CG1 3.43Å; V540-I544 PolarHBondContact O-N 3.17Å; L541-I544 WeakPolarHBondContact O-CB 3.26Å; L541-I544 PolarHBondContact O-N 3.2Å; L541-I544 VanDerWaalsContact O-N 3.17Å; L542-I544 VanDerWaalsContact C-N 3.31Å; L542-I544 PolarHBondContact O-N 3.04Å; I544-R546 VanDerWaalsContact C-N 3.31Å; I544-R546 PolarHBondContact O-N 2.67Å; I544-H547 VanDerWaalsContact O-CB 3.25Å; I544-H547 WeakPolarHBondContact O-CB 3.26Å; I544-H547 PolarHBondContact O-N 3.4Å; I544-H547 VanDerWaalsContact O-N 3.08Å; I544-V550 HydrophobicContact CG2-CG1 4.39Å; I544-V550 HydrophobicContact CG2-CG2 4.28Å; I544-V550 WeakPolarHBondContact O-CB 3.29Å; I544-V550 WeakPolarHBondContact O-CG2 3.42Å; I544-V695 HydrophobicContact CG2-CG1 4.32Å; I544-V695 HydrophobicContact CG2-CG2 4.17Å; I544-A703 HydrophobicContact CD1-CB 3.23Å; I544-A703 HydrophobicContact CG1-CB 3.86Å
545L81.5Confident80.6Confident3 Ų360.4 Ų60.42%0.01628%0.276CS..Hα-helixtrans-64.1-34.8-178.9-69.7174000112.5H521 L524 L541 L542 H547 I551 V693H521-L545 HydrophobicContact CB-CD1 3.83Å; L524-L545 HydrophobicContact CD1-CD1 4.46Å; L524-L545 HydrophobicContact CD1-CD2 3.87Å; L541-L545 PolarHBondContact O-N 3.35Å; L541-L545 VanDerWaalsContact O-N 3.09Å; L542-L545 PolarHBondContact O-N 3.34Å; L545-H547 VanDerWaalsContact C-N 3.26Å; L545-H547 PolarHBondContact O-N 2.67Å; L545-I551 WeakPolarHBondContact O-CD1 3.45Å; L545-I551 WeakPolarHBondContact O-CG1 3.24Å; L545-V693 HydrophobicContact CD2-CG1 3.72Å; L545-V693 HydrophobicContact CD2-CG2 4.24Å
546R76.9Confident80.4Confident87 Ų8758.1 Ų58.133%0.32827%0.265SS..THydrogen-bonded Turntrans-73.1-11.6174-76.2-167.9179-153.2-4.6114.7A501 K503 D505 M517 L542 I544A501-R546 PolarHBondContact O-NE 3.47Å; A501-R546 PolarHBondContact O-NH2 3.49Å; K503-R546 PolarHBondContact O-NH2 3Å; D505-R546 IonicContact OD2-NH1 3.9Å; M517-R546 HydrophobicContact SD-CG 4.22Å; L542-R546 PolarHBondContact O-N 3.03Å; L542-R546 VanDerWaalsContact O-N 3.08Å; I544-R546 VanDerWaalsContact C-N 3.31Å; I544-R546 PolarHBondContact O-N 2.67Å
547H80.1Confident80.1Confident78 Ų7862 Ų6236%0.36129%0.286SS..SBendtrans-65.8128.1-175.9-171.4-82000110.1R543 I544 L545 E549 V550R543-H547 PolarHBondContact O-N 3.47Å; I544-H547 VanDerWaalsContact O-CB 3.25Å; I544-H547 WeakPolarHBondContact O-CB 3.26Å; I544-H547 PolarHBondContact O-N 3.4Å; I544-H547 VanDerWaalsContact O-N 3.08Å; L545-H547 VanDerWaalsContact C-N 3.26Å; L545-H547 PolarHBondContact O-N 2.67Å; H547-E549 IonicContact CE1-OE2 4Å; H547-E549 PolarHBondContact ND1-N 2.85Å; H547-E549 PolarHBondContact O-N 3.35Å; H547-V550 HydrophobicContact CB-CB 4.2Å; H547-V550 HydrophobicContact CB-CG2 3.73Å; H547-V550 WeakPolarHBondContact O-CB 3.49Å; H547-V550 PolarHBondContact O-N 3.32Å
548P71.4Confident79.7Confident95 Ų9566.9 Ų66.962%0.61731%0.306SS*.THydrogen-bonded Turntrans-63.9-19-167.723-34.4000114.7
549E72Confident79.3Confident129 Ų12970.9 Ų70.960%0.60333%0.33SS*.THydrogen-bonded Turntrans-94.2-9.2176.3-59.9-172153.100114.3H547 Q552H547-E549 IonicContact CE1-OE2 4Å; H547-E549 PolarHBondContact ND1-N 2.85Å; H547-E549 PolarHBondContact O-N 3.35Å; E549-Q552 PolarHBondContact O-NE2 3.05Å
550V79.3Confident79Confident1 Ų168.3 Ų68.31%0.00633%0.326CS..THydrogen-bonded Turntrans-81.8-44.1-176.7167.50000110.4I544 H547 V693 K694 V695I544-V550 HydrophobicContact CG2-CG1 4.39Å; I544-V550 HydrophobicContact CG2-CG2 4.28Å; I544-V550 WeakPolarHBondContact O-CB 3.29Å; I544-V550 WeakPolarHBondContact O-CG2 3.42Å; H547-V550 HydrophobicContact CB-CB 4.2Å; H547-V550 HydrophobicContact CB-CG2 3.73Å; H547-V550 WeakPolarHBondContact O-CB 3.49Å; H547-V550 PolarHBondContact O-N 3.32Å; V550-V693 HydrophobicContact CG1-CG1 3.59Å; V550-V693 CarbonylContact O-C 3.47Å; V550-K694 PolarHBondContact O-N 3.3Å; V550-V695 HydrophobicContact CG1-CG2 4.16Å
551I79.5Confident78.2Confident21 Ų2173.9 Ų73.911%0.10835%0.35CS..EExtended strand (participates in β ladder)trans-92.9123.4176-51.7-175.2000109.6V510 I512 M517 L545 Q691 Y692V510-I551 HydrophobicContact CG1-CG2 3.95Å; I512-I551 HydrophobicContact CD1-CB 4.17Å; I512-I551 HydrophobicContact CD1-CD1 3.51Å; I512-I551 HydrophobicContact CD1-CG1 4.3Å; I512-I551 HydrophobicContact CD1-CG2 3.12Å; I512-I551 HydrophobicContact CG1-CG2 4.33Å; M517-I551 HydrophobicContact CE-CD1 4.32Å; L545-I551 WeakPolarHBondContact O-CD1 3.45Å; L545-I551 WeakPolarHBondContact O-CG1 3.24Å; I551-Q691 HydrophobicContact CG2-CG 4.27Å; I551-Y692 WeakPolarHBondContact CA-O 3.48Å
552Q78.3Confident77.3Confident58 Ų5884.4 Ų84.427%0.27139%0.39SS..EExtended strand (participates in β ladder)trans-126.9149-177.2-58.9-178800110.7E549 Q691 Y692E549-Q552 PolarHBondContact O-NE2 3.05Å; Q552-Q691 CarbonylContact O-C 3.56Å; Q552-Q691 WeakPolarHBondContact O-CA 3.39Å; Q552-Y692 HydrophobicContact CB-CD2 4.38Å; Q552-Y692 HydrophobicContact CB-CE1 4.24Å; Q552-Y692 HydrophobicContact CB-CE2 3.77Å; Q552-Y692 HydrophobicContact CG-CE2 4.33Å; Q552-Y692 PolarHBondContact N-O 2.83Å; Q552-Y692 PolarHBondContact O-N 2.79Å; Q552-Y692 PolarHBondContact OE1-OH 3.35Å
553E80.3Confident77Confident98 Ų9884.4 Ų84.446%0.45839%0.391SS..EExtended strand (participates in β ladder)trans-113.6139.4170.6-74.1-179.5-179.900110.1V510 L690 Q691V510-E553 HydrophobicContact CG1-CG 3.78Å; V510-E553 WeakPolarHBondContact CG1-OE1 3.27Å; V510-E553 HydrophobicContact CG2-CG 4.19Å; E553-L690 CarbonylContact C-O 3.59Å; E553-L690 WeakPolarHBondContact CA-O 3.42Å; E553-Q691 HydrophobicContact CG-CB 4.2Å; E553-Q691 HydrophobicContact CG-CG 3.87Å; E553-Q691 PolarHBondContact OE1-NE2 2.96Å
554L79.8Confident76.5Confident24 Ų2481.4 Ų81.413%0.12639%0.391CS..EExtended strand (participates in β ladder)trans-125.9114175.2178159.8000108.1Y566 L568 A686 D689 L690 Y692L554-Y566 HydrophobicContact CD2-CD1 3.79Å; L554-Y566 HydrophobicContact CD2-CE1 4.21Å; L554-Y566 HydrophobicContact CG-CD1 4.39Å; L554-L568 HydrophobicContact CD1-CD2 4.49Å; L554-A686 HydrophobicContact CD2-CB 3.81Å; L554-D689 WeakPolarHBondContact O-CA 3.46Å; L554-L690 HydrophobicContact CB-CB 4.38Å; L554-L690 PolarHBondContact N-O 3.35Å; L554-L690 PolarHBondContact O-N 3.42Å; L554-Y692 HydrophobicContact CB-CE1 4.01Å
555K80.1Confident76Confident165 Ų16587.2 Ų87.272%0.71742%0.422SS*.PPolyproline II helixtrans-83.5127.5175.8-65.9-172.3177-174.70110.2Y566 D689K555-Y566 WeakPolarHBondContact O-CE1 3.39Å; K555-D689 WeakPolarHBondContact CA-OD1 2.96Å
556F78.4Confident75.8Confident35 Ų3588.4 Ų88.415%0.15443%0.426CS..PPolyproline II helixtrans-92.1119.5-177.9-176.6-101000110.6E558 K561 Y566 A686 A688 D689F556-E558 HydrophobicContact CD1-CG 4.44Å; F556-E558 HydrophobicContact CE1-CG 4.19Å; F556-K561 HydrophobicContact CZ-CG 4.45Å; F556-Y566 HydrophobicContact CD2-CD1 4.44Å; F556-Y566 HydrophobicContact CD2-CD2 4.42Å; F556-Y566 HydrophobicContact CD2-CG 4.36Å; F556-Y566 HydrophobicContact CE2-CD2 4.31Å; F556-A686 HydrophobicContact CD2-CB 4.25Å; F556-A686 VanDerWaalsContact CE2-O 3.32Å; F556-A686 WeakPolarHBondContact CE2-O 3.25Å; F556-A688 VanDerWaalsContact CB-C 3.4Å; F556-D689 PolarHBondContact N-OD1 2.89Å
557N78.8Confident75.9Confident82 Ų8287.3 Ų87.344%0.43942%0.424SS..PPolyproline II helixtrans-98.2118.2173.5-165.5-19.1000110.1N559 D560 Y566N557-N559 PolarHBondContact O-N 3.04Å; N557-N559 VanDerWaalsContact O-N 3.1Å; N557-N559 PolarHBondContact OD1-N 3.4Å; N557-N559 PolarHBondContact OD1-ND2 2.95Å; N557-D560 PolarHBondContact O-N 2.71Å; N557-Y566 WeakPolarHBondContact CB-OH 3.2Å; N557-Y566 PolarHBondContact N-OH 3.04Å
558E76.2Confident75.7Confident139 Ų13984.7 Ų84.765%0.6541%0.412SS*.G310 helixtrans-61.6-20.2-178.9-67.3-156.1147.600114F556 K561F556-E558 HydrophobicContact CD1-CG 4.44Å; F556-E558 HydrophobicContact CE1-CG 4.19Å; E558-K561 WeakPolarHBondContact O-CE 3.31Å; E558-K561 WeakPolarHBondContact O-CG 3.37Å
559N74.3Confident76Confident153 Ų15380.3 Ų80.382%0.81838%0.383SS*.G310 helixtrans-78.3-20.2-178.2-65.7-41.7000113.9N557N557-N559 PolarHBondContact O-N 3.04Å; N557-N559 VanDerWaalsContact O-N 3.1Å; N557-N559 PolarHBondContact OD1-N 3.4Å; N557-N559 PolarHBondContact OD1-ND2 2.95Å
560D74.1Confident76.1Confident80 Ų8076.6 Ų76.643%0.42837%0.366SS..G310 helixtrans-124.349.7-175.7-168.111.5000112.4N557 R562 S563 Y566N557-D560 PolarHBondContact O-N 2.71Å; D560-R562 PolarHBondContact O-N 3.22Å; D560-S563 PolarHBondContact O-N 3.14Å; D560-S563 VanDerWaalsContact O-N 3.07Å; D560-S563 VanDerWaalsContact OD2-CB 3.24Å; D560-S563 WeakPolarHBondContact OD2-CB 3.2Å; D560-S563 PolarHBondContact OD2-OG 3.48Å; D560-Y566 HydrophobicContact CB-CE2 4.29Å; D560-Y566 VanDerWaalsContact O-CD2 3.25Å; D560-Y566 WeakPolarHBondContact O-CD2 3.36Å; D560-Y566 WeakPolarHBondContact O-CE2 3.35Å
561K68.9Low75.7Confident121 Ų12180.7 Ų80.753%0.52638%0.384SS..THydrogen-bonded Turntrans-55.4-15.4-170.1-55.6-171.5179.9-175.10115.9F556 E558F556-K561 HydrophobicContact CZ-CG 4.45Å; E558-K561 WeakPolarHBondContact O-CE 3.31Å; E558-K561 WeakPolarHBondContact O-CG 3.37Å
562R65.8Low74.6Confident223 Ų22381.9 Ų81.984%0.84240%0.401SS*.THydrogen-bonded Turntrans-117.414-176.7-71.5-173.3178.7165.50.6114.2D560D560-R562 PolarHBondContact O-N 3.22Å
563S75.1Confident73.8Confident10 Ų1084.3 Ų84.37%0.0741%0.411CS..  trans-54.7135.9174.4-155.40000111.2D560 L565 Y566D560-S563 PolarHBondContact O-N 3.14Å; D560-S563 VanDerWaalsContact O-N 3.07Å; D560-S563 VanDerWaalsContact OD2-CB 3.24Å; D560-S563 WeakPolarHBondContact OD2-CB 3.2Å; D560-S563 PolarHBondContact OD2-OG 3.48Å; S563-L565 PolarHBondContact O-N 2.89Å; S563-L565 VanDerWaalsContact O-N 3.07Å; S563-Y566 PolarHBondContact O-N 3.49Å; S563-Y566 VanDerWaalsContact O-N 3.08Å
564P71.9Confident72.3Confident92 Ų9281.9 Ų81.960%0.59740%0.404SS*.G310 helixtrans-61.8-16.1173.327.1-34.5000112.3Y566P564-Y566 VanDerWaalsContact C-N 3.3Å
565L72.4Confident71.2Confident138 Ų13883.6 Ų83.672%0.72341%0.412SS*.G310 helixtrans-70.4-21.8175.8-66.2165.8000113.4S563S563-L565 PolarHBondContact O-N 2.89Å; S563-L565 VanDerWaalsContact O-N 3.07Å
566Y78.7Confident69.9Low27 Ų2776.6 Ų76.611%0.10638%0.384CS..G310 helixtrans-92.20.6179.2-59.5-40.8000113.9L554 K555 F556 N557 D560 S563 P564 R685 A686L554-Y566 HydrophobicContact CD2-CD1 3.79Å; L554-Y566 HydrophobicContact CD2-CE1 4.21Å; L554-Y566 HydrophobicContact CG-CD1 4.39Å; K555-Y566 WeakPolarHBondContact O-CE1 3.39Å; F556-Y566 HydrophobicContact CD2-CD1 4.44Å; F556-Y566 HydrophobicContact CD2-CD2 4.42Å; F556-Y566 HydrophobicContact CD2-CG 4.36Å; F556-Y566 HydrophobicContact CE2-CD2 4.31Å; N557-Y566 WeakPolarHBondContact CB-OH 3.2Å; N557-Y566 PolarHBondContact N-OH 3.04Å; D560-Y566 HydrophobicContact CB-CE2 4.29Å; D560-Y566 VanDerWaalsContact O-CD2 3.25Å; D560-Y566 WeakPolarHBondContact O-CD2 3.36Å; D560-Y566 WeakPolarHBondContact O-CE2 3.35Å; S563-Y566 PolarHBondContact O-N 3.49Å; S563-Y566 VanDerWaalsContact O-N 3.08Å; P564-Y566 VanDerWaalsContact C-N 3.3Å; Y566-R685 WeakPolarHBondContact O-CA 3.35Å; Y566-A686 PolarHBondContact O-N 3.42Å
567F78.7Confident68.6Low65 Ų6575 Ų7529%0.28538%0.378SS..EExtended strand (participates in β ladder)trans-93.1110.3172.5-74.6-91.6000110Q570 V684 R685F567-Q570 HydrophobicContact CB-CG 3.84Å; F567-Q570 HydrophobicContact CD1-CG 4.39Å; F567-Q570 HydrophobicContact CG-CG 4.24Å; F567-V684 CarbonylContact C-O 3.49Å; F567-V684 WeakPolarHBondContact CA-O 3.23Å; F567-R685 HydrophobicContact CD1-CB 4.09Å; F567-R685 HydrophobicContact CD1-CG 4.4Å; F567-R685 HydrophobicContact CE1-CB 3.99Å; F567-R685 HydrophobicContact CE1-CG 4.18Å; F567-R685 HydrophobicContact CE2-CG 4.42Å; F567-R685 HydrophobicContact CZ-CB 4.49Å; F567-R685 HydrophobicContact CZ-CG 4.2Å
568L76.1Confident67.4Low22 Ų2271.3 Ų71.312%0.11536%0.358CS..EExtended strand (participates in β ladder)trans-69-40.9172.3-68.2169.5000110.8L554 V584 V684 L690 Y692L554-L568 HydrophobicContact CD1-CD2 4.49Å; L568-V584 HydrophobicContact CD1-CG1 4.26Å; L568-V684 HydrophobicContact CB-CB 4.29Å; L568-V684 HydrophobicContact CB-CG1 4.41Å; L568-V684 HydrophobicContact CD1-CG1 4.11Å; L568-V684 PolarHBondContact N-O 2.89Å; L568-L690 HydrophobicContact CD1-CD1 3.67Å; L568-L690 HydrophobicContact CG-CD1 4.38Å; L568-Y692 HydrophobicContact CD2-CD1 4Å; L568-Y692 HydrophobicContact CD2-CE1 3.57Å; L568-Y692 HydrophobicContact CD2-CE2 4.14Å; L568-Y692 HydrophobicContact CD2-CG 4.46Å
569Y76.8Confident66.4Low3 Ų365 Ų651%0.01233%0.329CS..EExtended strand (participates in β ladder)trans-131.1141173.8-62.6-86.6000110.6I575 S576 V577 C578 Y603 F682 S683 V684Y569-I575 HydrophobicContact CD1-CB 4.12Å; Y569-I575 HydrophobicContact CE1-CB 4.03Å; Y569-I575 HydrophobicContact CE1-CG2 4.2Å; Y569-S576 WeakPolarHBondContact CE1-O 3.22Å; Y569-S576 VanDerWaalsContact CZ-O 3.26Å; Y569-S576 PolarHBondContact OH-O 3.28Å; Y569-V577 VanDerWaalsContact OH-C 3.27Å; Y569-V577 VanDerWaalsContact OH-CA 3.3Å; Y569-V577 WeakPolarHBondContact OH-CA 3.47Å; Y569-C578 HydrophobicContact CE2-CB 3.82Å; Y569-C578 WeakPolarHBondContact OH-CB 3.21Å; Y569-C578 PolarHBondContact OH-N 3.42Å; Y569-Y603 HydrophobicContact CE2-CG 4.36Å; Y569-F682 HydrophobicContact CD2-CE2 4.23Å; Y569-F682 HydrophobicContact CG-CE2 4.14Å; Y569-S683 CarbonylContact O-C 3.52Å; Y569-S683 VanDerWaalsContact O-CA 3.26Å; Y569-S683 WeakPolarHBondContact O-CA 3.39Å; Y569-S683 WeakPolarHBondContact O-CB 3.35Å; Y569-V684 HydrophobicContact CD2-CB 3.86Å; Y569-V684 HydrophobicContact CD2-CG2 3.62Å; Y569-V684 HydrophobicContact CE2-CG2 4.48Å; Y569-V684 HydrophobicContact CG-CG2 4.31Å; Y569-V684 PolarHBondContact N-O 3.06Å; Y569-V684 PolarHBondContact O-N 2.84Å
570Q75.6Confident65.6Low52 Ų5258 Ų5824%0.24329%0.291CS..  trans-118.5134.1169.2-68.6-178.6-3.700108.7F567 G572 K573F567-Q570 HydrophobicContact CB-CG 3.84Å; F567-Q570 HydrophobicContact CD1-CG 4.39Å; F567-Q570 HydrophobicContact CG-CG 4.24Å; Q570-G572 PolarHBondContact O-N 3.15Å; Q570-K573 HydrophobicContact CB-CB 4.43Å; Q570-K573 HydrophobicContact CB-CD 4.15Å; Q570-K573 HydrophobicContact CB-CG 4.4Å; Q570-K573 PolarHBondContact O-N 2.94Å; Q570-K573 VanDerWaalsContact OE1-CE 3.31Å
571K68.9Low65Low87 Ų8757.8 Ų57.838%0.37829%0.288SS..THydrogen-bonded Turntrans-49.3125.9173.6-172.3170.2-178.7171.10110G589 N592 F682 S683K571-G589 PolarHBondContact NZ-O 2.89Å; K571-N592 PolarHBondContact NZ-OD1 2.86Å; K571-F682 PolarHBondContact N-O 2.74Å; K571-S683 WeakPolarHBondContact CB-OG 3.37Å; K571-S683 PolarHBondContact N-OG 3.49Å
572G58.1Low65.1Low46 Ų4653.2 Ų53.247%0.47428%0.275SS..THydrogen-bonded Turntrans89.5-4.9-178.600000116.2Q570 I679 P680Q570-G572 PolarHBondContact O-N 3.15Å; G572-I679 VanDerWaalsContact CA-CG2 3.44Å; G572-P680 PolarHBondContact N-O 2.75Å; G572-P680 VanDerWaalsContact N-O 3.12Å
573K60.8Low65.9Low109 Ų10949.6 Ų49.647%0.47426%0.261SS..  trans-109.1131.7179.3-71.4-172-178.2168.60113.2Q570 P680Q570-K573 HydrophobicContact CB-CB 4.43Å; Q570-K573 HydrophobicContact CB-CD 4.15Å; Q570-K573 HydrophobicContact CB-CG 4.4Å; Q570-K573 PolarHBondContact O-N 2.94Å; Q570-K573 VanDerWaalsContact OE1-CE 3.31Å; K573-P680 WeakPolarHBondContact O-CD 3.45Å; K573-P680 VanDerWaalsContact O-CG 3.24Å; K573-P680 WeakPolarHBondContact O-CG 3.29Å
574P48.2Very low66.4Low47 Ų4749.2 Ų49.231%0.30526%0.258SS..  trans-84.1114.2-172.429.4-32.7000113.6Q677 Y678P574-Q677 HydrophobicContact CB-CB 4.26Å; P574-Q677 HydrophobicContact CB-CG 3.41Å; P574-Q677 VanDerWaalsContact CB-CG 3.41Å; P574-Q677 HydrophobicContact CG-CG 3.88Å; P574-Y678 VanDerWaalsContact CA-O 3.26Å; P574-Y678 WeakPolarHBondContact CA-O 3.28Å; P574-Y678 VanDerWaalsContact CB-O 3.26Å; P574-Y678 WeakPolarHBondContact CB-O 3.4Å
575I56.8Low67.1Low59 Ų5946.9 Ų46.930%0.30324%0.239SC..  trans-148.4155.5-176.6-53.9178.8000112.3Y569 A607Y569-I575 HydrophobicContact CD1-CB 4.12Å; Y569-I575 HydrophobicContact CE1-CB 4.03Å; Y569-I575 HydrophobicContact CE1-CG2 4.2Å; I575-A607 WeakPolarHBondContact O-CB 3.14Å
576S53.2Low67.7Low18 Ų1840.4 Ų40.413%0.12621%0.205CC..  trans-73.4160.4-179.626.30000116.3Y569 V695Y569-S576 WeakPolarHBondContact CE1-O 3.22Å; Y569-S576 VanDerWaalsContact CZ-O 3.26Å; Y569-S576 PolarHBondContact OH-O 3.28Å; S576-V695 WeakPolarHBondContact CB-O 3.19Å
577V51.5Low68.1Low3 Ų341.3 Ų41.32%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-58.3141.4-172.8176.60000114.7Y569 Y603 G604 L608 K694 V695Y569-V577 VanDerWaalsContact OH-C 3.27Å; Y569-V577 VanDerWaalsContact OH-CA 3.3Å; Y569-V577 WeakPolarHBondContact OH-CA 3.47Å; V577-Y603 VanDerWaalsContact CA-O 3.25Å; V577-Y603 WeakPolarHBondContact CA-O 3.49Å; V577-Y603 WeakPolarHBondContact CG1-O 2.89Å; V577-Y603 WeakPolarHBondContact CG2-O 3.47Å; V577-G604 WeakPolarHBondContact CG2-O 3.36Å; V577-L608 HydrophobicContact CB-CD1 4.2Å; V577-L608 HydrophobicContact CG2-CD1 3.52Å; V577-L608 HydrophobicContact CG2-CD2 4.32Å; V577-L608 HydrophobicContact CG2-CG 3.65Å; V577-K694 VanDerWaalsContact O-CA 3.3Å; V577-K694 WeakPolarHBondContact O-CA 3.48Å; V577-V695 PolarHBondContact O-N 3.08Å
578C53.9Low68.5Low3 Ų339.3 Ų39.32%0.0221%0.206CC..EExtended strand (participates in β ladder)trans-124.5130.7177.2-149.90000109.5Y569 D580 Y602 Y603 Y692 V693Y569-C578 HydrophobicContact CE2-CB 3.82Å; Y569-C578 WeakPolarHBondContact OH-CB 3.21Å; Y569-C578 PolarHBondContact OH-N 3.42Å; C578-D580 PolarHBondContact SG-OD1 3.17Å; C578-Y602 VanDerWaalsContact O-CA 3.3Å; C578-Y602 WeakPolarHBondContact O-CA 3.31Å; C578-Y603 PolarHBondContact O-N 3.07Å; C578-Y692 WeakPolarHBondContact SG-CB 3.43Å; C578-Y692 WeakPolarHBondContact SG-CD2 3.44Å; C578-V693 CarbonylContact C-O 3.56Å; C578-V693 WeakPolarHBondContact CA-O 3.47Å
579V54.3Low68.6Low8 Ų839.4 Ų39.45%0.04821%0.212CC..EExtended strand (participates in β ladder)trans-117.4117.9165.6-178.10000107.6F523 L524 Y692 V693F523-V579 HydrophobicContact CD1-CG1 4.4Å; F523-V579 HydrophobicContact CE1-CG1 4.33Å; L524-V579 HydrophobicContact CD2-CG2 3.77Å; V579-Y692 CarbonylContact O-C 3.46Å; V579-Y692 WeakPolarHBondContact O-CA 3.29Å; V579-Y692 WeakPolarHBondContact O-CB 3.46Å; V579-V693 HydrophobicContact CB-CB 4.15Å; V579-V693 HydrophobicContact CB-CG2 4.41Å; V579-V693 PolarHBondContact N-O 3Å; V579-V693 VanDerWaalsContact N-O 3.13Å; V579-V693 PolarHBondContact O-N 3.04Å
580D56.9Low68.6Low4 Ų446.5 Ų46.52%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-98.7143.8-167-62.4-30000113C578 P599 F600 S601 Y692C578-D580 PolarHBondContact SG-OD1 3.17Å; D580-P599 CarbonylContact O-C 3.52Å; D580-P599 WeakPolarHBondContact O-CA 3.26Å; D580-F600 PolarHBondContact O-N 2.88Å; D580-S601 PolarHBondContact N-O 2.84Å; D580-Y692 WeakPolarHBondContact OD1-CB 3.42Å
581Q62.9Low68.9Low77 Ų7751.9 Ų51.936%0.3628%0.276SS..EExtended strand (participates in β ladder)trans-105.1128.9144.3-97.1-160.3-13.800108.2L516 P599 L690 Q691L516-Q581 HydrophobicContact CD1-CG 4.21Å; L516-Q581 HydrophobicContact CD2-CG 4.29Å; L516-Q581 VanDerWaalsContact CD2-OE1 3.3Å; Q581-P599 HydrophobicContact CG-CB 4.37Å; Q581-L690 WeakPolarHBondContact O-CA 3.02Å; Q581-Q691 HydrophobicContact CB-CB 4.33Å; Q581-Q691 PolarHBondContact N-O 3.05Å; Q581-Q691 PolarHBondContact O-N 3.09Å
582G71.2Confident69.5Low24 Ų2451.3 Ų51.325%0.24728%0.277CS..SBendtrans125.1-164.9-179.300000112.4
583R81.8Confident70.8Confident148 Ų14854.9 Ų54.956%0.55828%0.283SS*.  trans-116.3124.8-178.3-71.1-175.8-79.3-177.30.5110.5E596 L687R583-E596 WeakPolarHBondContact CD-OE1 3.29Å; R583-L687 HydrophobicContact CB-CB 4.19Å; R583-L687 WeakPolarHBondContact O-CB 3.28Å; R583-L687 PolarHBondContact O-N 2.83Å
584V85.5Confident72.1Confident1 Ų155.6 Ų55.61%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-125.9142.3177.6-55.50000111.5L568 V586 E596 T597 Y603 V684 R685 L690L568-V584 HydrophobicContact CD1-CG1 4.26Å; V584-V586 HydrophobicContact CG2-CG2 4.36Å; V584-E596 WeakPolarHBondContact O-CA 3.01Å; V584-T597 WeakPolarHBondContact CG2-OG1 3.06Å; V584-T597 PolarHBondContact N-O 3.14Å; V584-T597 VanDerWaalsContact N-O 3.1Å; V584-T597 PolarHBondContact O-N 2.77Å; V584-T597 PolarHBondContact O-OG1 2.76Å; V584-Y603 HydrophobicContact CG2-CE2 4.25Å; V584-V684 HydrophobicContact CB-CG1 3.75Å; V584-V684 HydrophobicContact CG1-CG1 4.27Å; V584-V684 HydrophobicContact CG2-CG1 3.73Å; V584-R685 CarbonylContact C-O 3.42Å; V584-R685 VanDerWaalsContact CA-O 3.27Å; V584-R685 WeakPolarHBondContact CA-O 3.47Å; V584-R685 WeakPolarHBondContact CB-O 3.35Å; V584-L690 HydrophobicContact CG1-CD1 3.55Å; V584-L690 HydrophobicContact CG1-CD2 3.65Å; V584-L690 HydrophobicContact CG1-CG 4.26Å
585E86.4Confident73.9Confident43 Ų4357.1 Ų57.120%0.20129%0.288CS..EExtended strand (participates in β ladder)trans-93.7125.3170.7-177.9-177.1-118.200108.7V684 R685 L687E585-V684 WeakPolarHBondContact O-CA 3.41Å; E585-R685 VanDerWaalsContact CD-NH2 3.29Å; E585-R685 PolarHBondContact N-O 2.79Å; E585-R685 PolarHBondContact O-N 2.95Å; E585-R685 IonicContact OE1-NH2 3.61Å; E585-R685 IonicContact OE2-CZ 3.21Å; E585-R685 IonicContact OE2-NE 2.9Å; E585-R685 PolarHBondContact OE2-NE 2.95Å; E585-R685 IonicContact OE2-NH2 2.69Å; E585-R685 PolarHBondContact OE2-NH2 2.03Å; E585-L687 HydrophobicContact CB-CD1 4.04Å; E585-L687 HydrophobicContact CB-CD2 4.06Å; E585-L687 HydrophobicContact CB-CG 4.04Å
586V86.6Confident75.4Confident2 Ų260 Ų601%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-108.7125.2176.1-173.60000108.9V584 A588 K594 F595 T597 Y603 F682 S683 V684V584-V586 HydrophobicContact CG2-CG2 4.36Å; V586-A588 HydrophobicContact CG1-CB 4.45Å; V586-K594 WeakPolarHBondContact O-CA 3.47Å; V586-F595 HydrophobicContact CB-CD1 4.41Å; V586-F595 HydrophobicContact CB-CD2 4.17Å; V586-F595 HydrophobicContact CB-CE1 3.93Å; V586-F595 HydrophobicContact CB-CE2 3.67Å; V586-F595 HydrophobicContact CB-CZ 3.54Å; V586-F595 HydrophobicContact CG1-CE1 3.88Å; V586-F595 HydrophobicContact CG1-CE2 4.09Å; V586-F595 HydrophobicContact CG1-CZ 3.48Å; V586-F595 VanDerWaalsContact CG1-CZ 3.48Å; V586-F595 HydrophobicContact CG2-CE2 3.98Å; V586-F595 HydrophobicContact CG2-CZ 4.24Å; V586-F595 PolarHBondContact N-O 3.37Å; V586-F595 PolarHBondContact O-N 3.49Å; V586-T597 HydrophobicContact CG2-CG2 4.15Å; V586-Y603 HydrophobicContact CG2-CE1 3.85Å; V586-Y603 VanDerWaalsContact CG2-OH 3.28Å; V586-Y603 WeakPolarHBondContact CG2-OH 3.33Å; V586-F682 HydrophobicContact CG1-CB 4.22Å; V586-F682 HydrophobicContact CG1-CD2 4.48Å; V586-S683 CarbonylContact C-O 3.17Å; V586-S683 WeakPolarHBondContact CA-O 2.98Å; V586-V684 HydrophobicContact CG1-CG2 4.39Å; V586-V684 HydrophobicContact CG2-CG1 4.37Å; V586-V684 HydrophobicContact CG2-CG2 4.23Å
587E86.8Confident76.8Confident46 Ų4660.3 Ų60.322%0.21530%0.301CS..EExtended strand (participates in β ladder)trans-107.7109.3172.9-173174.7155.600108.5N592 M593 K594 F682 S683E587-N592 HydrophobicContact CG-CB 3.94Å; E587-N592 VanDerWaalsContact OE1-CB 3.25Å; E587-N592 WeakPolarHBondContact OE1-CB 3.4Å; E587-M593 CarbonylContact C-O 3.59Å; E587-M593 WeakPolarHBondContact CA-O 3.34Å; E587-K594 HydrophobicContact CB-CG 4.24Å; E587-K594 HydrophobicContact CG-CG 4.05Å; E587-K594 WeakPolarHBondContact OE2-CE 3.45Å; E587-K594 IonicContact OE2-NZ 3.21Å; E587-K594 PolarHBondContact OE2-NZ 3.19Å; E587-F682 CarbonylContact O-C 3.55Å; E587-F682 WeakPolarHBondContact O-CA 3.49Å; E587-F682 WeakPolarHBondContact O-CB 3.31Å; E587-S683 PolarHBondContact N-O 3.32Å; E587-S683 PolarHBondContact O-N 2.78Å
588A85.6Confident78.2Confident23 Ų2361.5 Ų61.519%0.1931%0.314CS..EExtended strand (participates in β ladder)trans-124.4154.6-171.700000113.7V586 M593 F595 F682V586-A588 HydrophobicContact CG1-CB 4.45Å; A588-M593 PolarHBondContact N-O 2.88Å; A588-M593 PolarHBondContact O-N 2.82Å; A588-F595 HydrophobicContact CB-CE1 3.97Å; A588-F682 HydrophobicContact CB-CB 3.91Å
589G78.7Confident79.5Confident24 Ų2465 Ų6525%0.24734%0.336CS..THydrogen-bonded Turntrans81.2176.7175.900000114.3K571 E591 N592K571-G589 PolarHBondContact NZ-O 2.89Å; G589-E591 PolarHBondContact O-N 3.42Å; G589-N592 PolarHBondContact O-N 2.74Å
590N78.1Confident80.8Confident152 Ų15267.8 Ų67.881%0.81335%0.348SS*.THydrogen-bonded Turntrans-73.4-21.5176.6-69.5-13.7000112.5N592N590-N592 VanDerWaalsContact C-N 3.34Å
591E81.3Confident82Confident165 Ų16569 Ų6977%0.77136%0.357SS*.THydrogen-bonded Turntrans-88.80.4178.6-60.1-178.818000113.1G589 M593G589-E591 PolarHBondContact O-N 3.42Å; E591-M593 VanDerWaalsContact C-N 3.33Å; E591-M593 HydrophobicContact CB-CG 4.47Å; E591-M593 PolarHBondContact O-N 2.85Å
592N81.3Confident82.9Confident75 Ų7569.9 Ų69.940%0.40136%0.358SS..THydrogen-bonded Turntrans53.645.1177.2-64.1-26.7000113.3K571 E587 G589 N590 K594K571-N592 PolarHBondContact NZ-OD1 2.86Å; E587-N592 HydrophobicContact CG-CB 3.94Å; E587-N592 VanDerWaalsContact OE1-CB 3.25Å; E587-N592 WeakPolarHBondContact OE1-CB 3.4Å; G589-N592 PolarHBondContact O-N 2.74Å; N590-N592 VanDerWaalsContact C-N 3.34Å; N592-K594 PolarHBondContact O-N 2.59Å
593M84.8Confident83.5Confident121 Ų12170 Ų7060%0.59635%0.351SS*.EExtended strand (participates in β ladder)trans-68.1131.5176.8-68.3-167.6-65.700110.3E587 A588 E591E587-M593 CarbonylContact C-O 3.59Å; E587-M593 WeakPolarHBondContact CA-O 3.34Å; A588-M593 PolarHBondContact N-O 2.88Å; A588-M593 PolarHBondContact O-N 2.82Å; E591-M593 VanDerWaalsContact C-N 3.33Å; E591-M593 HydrophobicContact CB-CG 4.47Å; E591-M593 PolarHBondContact O-N 2.85Å
594K87.8Confident83.3Confident124 Ų12463.2 Ų63.254%0.53933%0.328SS..EExtended strand (participates in β ladder)trans-105.5130-178.8-61.6-175.1180-154.30111V586 E587 N592V586-K594 WeakPolarHBondContact O-CA 3.47Å; E587-K594 HydrophobicContact CB-CG 4.24Å; E587-K594 HydrophobicContact CG-CG 4.05Å; E587-K594 WeakPolarHBondContact OE2-CE 3.45Å; E587-K594 IonicContact OE2-NZ 3.21Å; E587-K594 PolarHBondContact OE2-NZ 3.19Å; N592-K594 PolarHBondContact O-N 2.59Å
595F87.1Confident82.9Confident80 Ų8064.9 Ų64.935%0.35134%0.337SS..EExtended strand (participates in β ladder)trans-140.2153.8172.358.8-85.3000110.4V586 A588 T597V586-F595 HydrophobicContact CB-CD1 4.41Å; V586-F595 HydrophobicContact CB-CD2 4.17Å; V586-F595 HydrophobicContact CB-CE1 3.93Å; V586-F595 HydrophobicContact CB-CE2 3.67Å; V586-F595 HydrophobicContact CB-CZ 3.54Å; V586-F595 HydrophobicContact CG1-CE1 3.88Å; V586-F595 HydrophobicContact CG1-CE2 4.09Å; V586-F595 HydrophobicContact CG1-CZ 3.48Å; V586-F595 VanDerWaalsContact CG1-CZ 3.48Å; V586-F595 HydrophobicContact CG2-CE2 3.98Å; V586-F595 HydrophobicContact CG2-CZ 4.24Å; V586-F595 PolarHBondContact N-O 3.37Å; V586-F595 PolarHBondContact O-N 3.49Å; A588-F595 HydrophobicContact CB-CE1 3.97Å; F595-T597 HydrophobicContact CD2-CG2 3.57Å; F595-T597 HydrophobicContact CE2-CG2 3.51Å
596E87.3Confident82.5Confident120 Ų12068.6 Ų68.656%0.56136%0.356SS*.EExtended strand (participates in β ladder)trans-97.2140.8178-173.1176.4161.800109.9R583 V584 L687R583-E596 WeakPolarHBondContact CD-OE1 3.29Å; V584-E596 WeakPolarHBondContact O-CA 3.01Å; E596-L687 HydrophobicContact CG-CD1 3.89Å
597T83.5Confident81.9Confident23 Ų2369.1 Ų69.114%0.14136%0.361CS..EExtended strand (participates in β ladder)trans-130.7146.7177.357.90000110.8V584 V586 F595 Y603V584-T597 WeakPolarHBondContact CG2-OG1 3.06Å; V584-T597 PolarHBondContact N-O 3.14Å; V584-T597 VanDerWaalsContact N-O 3.1Å; V584-T597 PolarHBondContact O-N 2.77Å; V584-T597 PolarHBondContact O-OG1 2.76Å; V586-T597 HydrophobicContact CG2-CG2 4.15Å; F595-T597 HydrophobicContact CD2-CG2 3.57Å; F595-T597 HydrophobicContact CE2-CG2 3.51Å; T597-Y603 WeakPolarHBondContact CB-OH 3.15Å; T597-Y603 WeakPolarHBondContact CG2-OH 3.22Å; T597-Y603 PolarHBondContact OG1-OH 2.97Å
598G79.6Confident81.4Confident28 Ų2867.1 Ų67.129%0.28935%0.352SS..  trans-101.5-164.8-178.600000113.3S601G598-S601 WeakPolarHBondContact O-CB 3.44Å; G598-S601 PolarHBondContact O-OG 2.79Å
599P82.4Confident80.7Confident76 Ų7667.3 Ų67.349%0.49435%0.351SS..THydrogen-bonded Turntrans-63.9157.4-175.228.2-35.9000112.9D580 Q581 S601D580-P599 CarbonylContact O-C 3.52Å; D580-P599 WeakPolarHBondContact O-CA 3.26Å; Q581-P599 HydrophobicContact CG-CB 4.37Å; P599-S601 PolarHBondContact O-N 3.1Å
600F80.4Confident80Confident67 Ų6770.5 Ų70.529%0.29437%0.366SS..THydrogen-bonded Turntrans62.219.6-175.8-60.5-86.9000114.8L516 A519 F523 D580L516-F600 HydrophobicContact CD1-CZ 4Å; A519-F600 HydrophobicContact CB-CE1 4.33Å; A519-F600 HydrophobicContact CB-CZ 4Å; F523-F600 HydrophobicContact CB-CD1 3.94Å; F523-F600 HydrophobicContact CB-CE1 4.2Å; F523-F600 HydrophobicContact CD1-CB 4.44Å; F523-F600 AromaticContact CD1-CD1 3.85Å; F523-F600 HydrophobicContact CD1-CD1 3.85Å; F523-F600 HydrophobicContact CD2-CB 4.3Å; F523-F600 HydrophobicContact CD2-CD1 4.15Å; F523-F600 HydrophobicContact CE1-CB 4.21Å; F523-F600 HydrophobicContact CE1-CD1 4.43Å; F523-F600 WeakPolarHBondContact CE1-O 3.4Å; F523-F600 HydrophobicContact CE2-CB 4.06Å; F523-F600 HydrophobicContact CG-CB 4.48Å; F523-F600 AromaticContact CG-CD1 3.7Å; F523-F600 HydrophobicContact CG-CD1 3.7Å; F523-F600 HydrophobicContact CG-CE1 4.45Å; F523-F600 HydrophobicContact CG-CG 4.5Å; F523-F600 HydrophobicContact CZ-CB 4.03Å; F523-F600 WeakPolarHBondContact CZ-O 3.26Å; D580-F600 PolarHBondContact O-N 2.88Å
601S82.6Confident78.7Confident31 Ų3167.5 Ų67.522%0.21736%0.355CS..  trans-81.8135.7166.1-55.50000109.5D580 G598 P599D580-S601 PolarHBondContact N-O 2.84Å; G598-S601 WeakPolarHBondContact O-CB 3.44Å; G598-S601 PolarHBondContact O-OG 2.79Å; P599-S601 PolarHBondContact O-N 3.1Å
602Y82.8Confident76.6Confident95 Ų9566 Ų6637%0.37336%0.358SS..EExtended strand (participates in β ladder)trans-121.2143.6-179.864.1-95.6000113.1F523 V528 C578 V605F523-Y602 AromaticContact CE1-CD1 3.87Å; F523-Y602 HydrophobicContact CE1-CD1 3.87Å; F523-Y602 AromaticContact CZ-CD1 3.75Å; F523-Y602 HydrophobicContact CZ-CD1 3.75Å; F523-Y602 HydrophobicContact CZ-CE1 4.1Å; V528-Y602 HydrophobicContact CG2-CD1 4.01Å; V528-Y602 HydrophobicContact CG2-CD2 4.4Å; V528-Y602 HydrophobicContact CG2-CE1 4.12Å; V528-Y602 HydrophobicContact CG2-CG 4.15Å; C578-Y602 VanDerWaalsContact O-CA 3.3Å; C578-Y602 WeakPolarHBondContact O-CA 3.31Å; Y602-V605 HydrophobicContact CD2-CG2 3.41Å; Y602-V605 VanDerWaalsContact CD2-CG2 3.41Å; Y602-V605 HydrophobicContact CE2-CG2 3.65Å
603Y83.2Confident74.3Confident25 Ų2573.6 Ų73.610%0.09838%0.38CS..EExtended strand (participates in β ladder)trans-128.1152.3-175.3-58.9-73.9000112.4Y569 V577 C578 V584 V586 T597 V605 F682 V684Y569-Y603 HydrophobicContact CE2-CG 4.36Å; V577-Y603 VanDerWaalsContact CA-O 3.25Å; V577-Y603 WeakPolarHBondContact CA-O 3.49Å; V577-Y603 WeakPolarHBondContact CG1-O 2.89Å; V577-Y603 WeakPolarHBondContact CG2-O 3.47Å; C578-Y603 PolarHBondContact O-N 3.07Å; V584-Y603 HydrophobicContact CG2-CE2 4.25Å; V586-Y603 HydrophobicContact CG2-CE1 3.85Å; V586-Y603 VanDerWaalsContact CG2-OH 3.28Å; V586-Y603 WeakPolarHBondContact CG2-OH 3.33Å; T597-Y603 WeakPolarHBondContact CB-OH 3.15Å; T597-Y603 WeakPolarHBondContact CG2-OH 3.22Å; T597-Y603 PolarHBondContact OG1-OH 2.97Å; Y603-V605 PolarHBondContact O-N 3.09Å; Y603-F682 AromaticContact CD1-CE2 4Å; Y603-F682 HydrophobicContact CD1-CE2 4Å; Y603-F682 HydrophobicContact CD1-CZ 4.35Å; Y603-F682 HydrophobicContact CG-CE2 4.28Å; Y603-V684 HydrophobicContact CD1-CG2 4.24Å; Y603-V684 HydrophobicContact CD2-CG2 4.37Å; Y603-V684 HydrophobicContact CE1-CG2 4.42Å; Y603-V684 HydrophobicContact CE2-CG1 4.39Å; Y603-V684 HydrophobicContact CG-CG2 4.23Å
604G77.7Confident71.7Confident7 Ų779.7 Ų79.77%0.07240%0.397CS..  trans69.725.4164.800000116.7V577 M606 A607V577-G604 WeakPolarHBondContact CG2-O 3.36Å; G604-M606 PolarHBondContact O-N 3.08Å; G604-M606 VanDerWaalsContact O-N 3.11Å; G604-A607 WeakPolarHBondContact O-CB 3.34Å; G604-A607 PolarHBondContact O-N 3.27Å
605V77.3Confident69Low35 Ų3581.1 Ų81.121%0.21241%0.41CS..G310 helixtrans-52.7-37.1-176.7-176.50000113V528 L530 Y602 Y603 A607 L608V528-V605 HydrophobicContact CG1-CG1 4.13Å; V528-V605 HydrophobicContact CG1-CG2 4.36Å; L530-V605 HydrophobicContact CD1-CG1 3.46Å; L530-V605 VanDerWaalsContact CD1-CG1 3.46Å; L530-V605 WeakPolarHBondContact CD1-O 3.47Å; L530-V605 HydrophobicContact CG-CG1 3.89Å; Y602-V605 HydrophobicContact CD2-CG2 3.41Å; Y602-V605 VanDerWaalsContact CD2-CG2 3.41Å; Y602-V605 HydrophobicContact CE2-CG2 3.65Å; Y603-V605 PolarHBondContact O-N 3.09Å; V605-A607 PolarHBondContact O-N 2.84Å; V605-A607 VanDerWaalsContact O-N 3.15Å; V605-L608 PolarHBondContact O-N 2.96Å; V605-L608 VanDerWaalsContact O-N 3.14Å
606M76.8Confident66.3Low122 Ų12282.3 Ų82.360%0.60143%0.428SS*.G310 helixtrans-63.4-20.3179.2-65.9-58.8-66.400113.6G604 L608 S609 Y678G604-M606 PolarHBondContact O-N 3.08Å; G604-M606 VanDerWaalsContact O-N 3.11Å; M606-L608 PolarHBondContact O-N 2.89Å; M606-S609 PolarHBondContact O-N 2.82Å; M606-S609 PolarHBondContact O-OG 2.86Å; M606-Y678 HydrophobicContact CB-CD2 3.68Å; M606-Y678 HydrophobicContact CB-CE2 3.74Å; M606-Y678 HydrophobicContact CB-CG 4.32Å; M606-Y678 HydrophobicContact CG-CE2 4.46Å
607A75.8Confident63.8Low13 Ų1385.1 Ų85.111%0.10745%0.446CS..G310 helixtrans-64-23.8175.600000113.3I575 G604 V605 Y678I575-A607 WeakPolarHBondContact O-CB 3.14Å; G604-A607 WeakPolarHBondContact O-CB 3.34Å; G604-A607 PolarHBondContact O-N 3.27Å; V605-A607 PolarHBondContact O-N 2.84Å; V605-A607 VanDerWaalsContact O-N 3.15Å; A607-Y678 HydrophobicContact CB-CD1 3.79Å; A607-Y678 HydrophobicContact CB-CG 4.26Å
608L76.1Confident61.2Low3 Ų393 Ų932%0.01648%0.478CS..THydrogen-bonded Turntrans-84.9-29.1178.9-58.7-178.9000112.4L530 F531 V577 V605 M606 V695 Y700L530-L608 HydrophobicContact CD1-CB 3.76Å; L530-L608 HydrophobicContact CD1-CD1 4.35Å; F531-L608 HydrophobicContact CE2-CD1 3.73Å; F531-L608 HydrophobicContact CZ-CD1 3.55Å; V577-L608 HydrophobicContact CB-CD1 4.2Å; V577-L608 HydrophobicContact CG2-CD1 3.52Å; V577-L608 HydrophobicContact CG2-CD2 4.32Å; V577-L608 HydrophobicContact CG2-CG 3.65Å; V605-L608 PolarHBondContact O-N 2.96Å; V605-L608 VanDerWaalsContact O-N 3.14Å; M606-L608 PolarHBondContact O-N 2.89Å; L608-V695 HydrophobicContact CD2-CG1 4.45Å; L608-V695 WeakPolarHBondContact CD2-O 3.49Å; L608-Y700 HydrophobicContact CB-CD1 3.91Å; L608-Y700 HydrophobicContact CB-CE1 4.28Å; L608-Y700 HydrophobicContact CB-CG 4.07Å; L608-Y700 HydrophobicContact CD1-CD2 4.07Å; L608-Y700 HydrophobicContact CD1-CG 4.25Å; L608-Y700 HydrophobicContact CD2-CG 4.38Å; L608-Y700 HydrophobicContact CG-CG 4.46Å
609S70.8Confident58.9Low27 Ų27102.5 Ų102.519%0.18951%0.505CS..SBendtrans-78.1144.3-17672.50000112.9M606 R697M606-S609 PolarHBondContact O-N 2.82Å; M606-S609 PolarHBondContact O-OG 2.86Å; S609-R697 PolarHBondContact O-NH2 2.87Å
610T62.8Low56.4Low91 Ų91109.2 Ų109.256%0.55853%0.527SS*.PPolyproline II helixtrans-83.1126161.642.70000109.4T612 R697T610-T612 PolarHBondContact O-N 2.72Å; T610-R697 VanDerWaalsContact CA-NH2 3.33Å
611P51.4Low53.8Low89 Ų89110.9 Ų110.958%0.57855%0.547SS*.PPolyproline II helixtrans-62.3117.8173.223.8-29.8000108.8R613 F676P611-R613 PolarHBondContact O-N 3.4Å; P611-F676 HydrophobicContact CG-CB 4.14Å
612T36.9Very low51.3Low134 Ų134115.4 Ų115.482%0.82257%0.573SS**PPolyproline II helixtrans-65.2120.7174.3-23.10000107.8T610 R614T610-T612 PolarHBondContact O-N 2.72Å; T612-R614 PolarHBondContact O-N 3.43Å
613R33.8Very low48.7Very low234 Ų234119.8 Ų119.888%0.88359%0.594SS**  trans-57.3110.3165.9-103.3-178.7159-179.6-4.7107.3P611 L615P611-R613 PolarHBondContact O-N 3.4Å; R613-L615 VanDerWaalsContact C-N 3.27Å; R613-L615 PolarHBondContact O-N 3.42Å
614R29.9Very low46Very low250 Ų250123.4 Ų123.494%0.94362%0.623SS**  trans-63.394.9161.5-84.7-164.8-175.9-1613.5107.2T612 S616T612-R614 PolarHBondContact O-N 3.43Å; R614-S616 PolarHBondContact O-N 2.95Å; R614-S616 VanDerWaalsContact O-N 3.11Å
615L30.8Very low43.6Very low154 Ų154134.3 Ų134.381%0.80666%0.662SS**  trans-63.5109.6163.4-86.2154.1000107R613 L617R613-L615 VanDerWaalsContact C-N 3.27Å; R613-L615 PolarHBondContact O-N 3.42Å; L615-L617 PolarHBondContact O-N 3.34Å; L615-L617 VanDerWaalsContact O-N 3.08Å
616S29.7Very low41.1Very low105 Ų105140.8 Ų140.873%0.73469%0.688SS**  trans-55.2109.9168.8-177.90000108.5R614 K618R614-S616 PolarHBondContact O-N 2.95Å; R614-S616 VanDerWaalsContact O-N 3.11Å; S616-K618 PolarHBondContact O-N 2.67Å
617L34.7Very low39.2Very low179 Ų179141.1 Ų141.194%0.93770%0.699SS**  trans-71.980.2174.6-125.7106.3000108.7L615L615-L617 PolarHBondContact O-N 3.34Å; L615-L617 VanDerWaalsContact O-N 3.08Å
618K30.7Very low36.8Very low188 Ų188146.8 Ų146.882%0.81773%0.727SS**  trans-128.1120.2155.5-85.5-174.6177178.30107.6S616S616-K618 PolarHBondContact O-N 2.67Å
619R30.9Very low34.3Very low228 Ų228158.5 Ų158.586%0.8677%0.771SS**  trans90.285.6166.2-155179.7-117.1175.6-4.6115.4
620F28.5Very low32.2Very low217 Ų217161.2 Ų161.295%0.95280%0.796SS**  -153.783.7128.2-98.1-73.8000109
621S27.3Very low30.5Very low102 Ų102162.8 Ų162.871%0.71381%0.805SS**  trans-85.4127.7153.351.50000107.4
622V30.1Very low29.2Very low125 Ų125165.4 Ų165.476%0.75881%0.814SS**  trans173.7109.7147.6151.80000108.8
623F28Very low28.7Very low187 Ų187164 Ų16482%0.8281%0.809SS**  trans60.3130.6156.1-73.5-98.8000119.2
624S26.6Very low28.3Very low101 Ų101158.2 Ų158.271%0.70681%0.805SS**  cis-169.7141.738.141.50000114
625R26.6Very low28.5Very low237 Ų237151.5 Ų151.589%0.89479%0.794SS**  trans62.3108.8139.3-119.4173.7-89.4-175.1-5.2122.2
626F25.2Very low28.2Very low170 Ų170152 Ų15275%0.74679%0.792SS**  trans-49165.3155.7-90.7-77.9000115.3
627P36.4Very low27.9Very low129 Ų129157.5 Ų157.584%0.83880%0.803SS**  -142.4168.253.138.5-16.7000120.3
628D24.7Very low27.4Very low132 Ų132159.4 Ų159.471%0.70680%0.798SS**  trans-58.7149.1-172.7-60.1-65.3000117.4
629R25.5Very low27.1Very low249 Ų249155.3 Ų155.394%0.9479%0.793SS**  trans-156.7104.3139.3-134.9173.2178.2176.2-1.7113.4
630A26.3Very low27.2Very low84 Ų84150 Ų15069%0.69479%0.788SS**  trans44.1115.9137.100000122.6
631V26.3Very low27.2Very low125 Ų125145.1 Ų145.176%0.75878%0.781SS**  54.3107.4114.5-178.70000118.4
632N24.4Very low27.2Very low143 Ų143149.6 Ų149.677%0.76579%0.79SS**  166.7142.3106.2-105.7-19000114.5
633S25.6Very low27Very low104 Ų104148.4 Ų148.473%0.72779%0.793SS**  trans56.6111.9144.863.80000121.5
634S27.1Very low26.9Very low114 Ų114143.3 Ų143.380%0.79779%0.794SS**  trans-73.4153.4130.152.50000109.3
635P32.7Very low26.9Very low108 Ų108146.6 Ų146.670%0.70180%0.798SS**  -147.5153.893.334.4-15.1000116.6
636E25.2Very low27.2Very low166 Ų166142 Ų14278%0.77679%0.79SS**  trans32.7127.3141.7-60.7-178.114000121.9
637F23Very low27.3Very low219 Ų219141.7 Ų141.796%0.96180%0.796SS**  -139.5119.3127.7-107.4-82.5000111.4
638R23.5Very low27.1Very low220 Ų220147.3 Ų147.383%0.8380%0.801SS**  trans-66.7136165.7-110178.4-173.5174.22.1109.7
639S24.6Very low27.2Very low102 Ų102146 Ų14671%0.71380%0.802SS**  140.2171.891.2-90.80000108.1
640P33.9Very low27.4Very low117 Ų117138 Ų13876%0.7679%0.789SS**  cis-131.3169-22.231.6-11000113.9
641S27.3Very low27.5Very low113 Ų113139.9 Ų139.979%0.7980%0.797SS**  trans-70136.116943.30000113.7
642H28.1Very low27.5Very low196 Ų196141.7 Ų141.791%0.90780%0.801SS**  trans-118.2131.4152.3-107.9-83.7000110.1
643A26.4Very low27.6Very low100 Ų100140.2 Ų140.283%0.82680%0.803SS**  trans-81.1140.1-173.800000112.1
644G25.3Very low27.7Very low81 Ų81140.6 Ų140.684%0.83580%0.804SS**  trans-145.1113.4161.600000107.7
645H26.6Very low27.7Very low170 Ų170141.5 Ų141.579%0.78781%0.805SS**  trans-87.5150.4-167.7-131.8-106.3000111.4
646L33.1Very low27.4Very low139 Ų139144.9 Ų144.973%0.72881%0.811SS**  trans82.790.4152.5-57.1161000119.5
647N27.2Very low27.6Very low165 Ų165148.5 Ų148.588%0.88282%0.818SS**  -18082.7113.3-90.4-19.4000108.5
648R31.7Very low27.7Very low246 Ų246142.9 Ų142.993%0.92881%0.812SS**  trans-116.7102.2170.4-84.2-173.6179.1175.81109A650R648-A650 VanDerWaalsContact C-N 3.28Å; R648-A650 PolarHBondContact O-N 2.6Å; R648-A650 VanDerWaalsContact O-N 3.1Å
649S28.5Very low27.8Very low106 Ų106141.7 Ų141.774%0.74182%0.816SS**  trans-71.194151.738.40000107.2S651S649-S651 PolarHBondContact O-N 2.93Å
650A28.3Very low27.9Very low80 Ų80146.4 Ų146.466%0.66183%0.826SS**  trans-63.4114.6167.900000108.6R648 L652R648-A650 VanDerWaalsContact C-N 3.28Å; R648-A650 PolarHBondContact O-N 2.6Å; R648-A650 VanDerWaalsContact O-N 3.1Å; A650-L652 PolarHBondContact O-N 3.5Å
651S28.6Very low27.7Very low123 Ų123144.4 Ų144.486%0.8683%0.827SS**  trans-65.9104.8163.3-70.20000108.7S649 S653S649-S651 PolarHBondContact O-N 2.93Å; S651-S653 PolarHBondContact O-N 2.79Å
652L26.5Very low27.7Very low163 Ų163144.8 Ų144.885%0.85383%0.829SS**  trans-63.5101.9167.6-74.7157.2000109.5A650 C654A650-L652 PolarHBondContact O-N 3.5Å; L652-C654 PolarHBondContact O-N 2.89Å
653S27.1Very low27.7Very low113 Ų113141.2 Ų141.279%0.7983%0.827SS**  trans-86.382.1161.262.50000109.2S651 T655S651-S653 PolarHBondContact O-N 2.79Å; S653-T655 PolarHBondContact O-N 3.15Å
654C26.5Very low28.1Very low112 Ų112145 Ų14576%0.75783%0.831SS**  trans-77.8107.6166.2-170.10000108.3L652 E656L652-C654 PolarHBondContact O-N 2.89Å; C654-E656 PolarHBondContact O-N 2.9Å
655T28.4Very low28.1Very low133 Ų133144.6 Ų144.682%0.81683%0.827SS**  trans-81.592.9169.853.50000108.8S653S653-T655 PolarHBondContact O-N 3.15Å
656E25.1Very low28.3Very low179 Ų179140 Ų14084%0.83683%0.826SS**  trans-79.9128.2169.1-159.2166.4-168.300109.5C654C654-E656 PolarHBondContact O-N 2.9Å
657R29.7Very low28Very low241 Ų241139 Ų13991%0.90983%0.83SS**  trans-66.7132.4178.3-69.9177.8-178.687.8-0.2109.4
658A25.7Very low28.5Very low102 Ų102139 Ų13984%0.84383%0.83SS**  trans-116.6138.2161.500000110.4
659H25.1Very low28.8Very low195 Ų195133.5 Ų133.590%0.90382%0.824SS**  trans-62.2142.9-167.2-93.8-95.3000115.9
660E27.9Very low28.9Very low200 Ų200137.6 Ų137.694%0.93583%0.832SS**  trans-69.5129.1158.8-71.1-177.6156.600110.4
661G27.8Very low29Very low75 Ų75141 Ų14177%0.77384%0.837SS**  trans-146.7109.5168.600000108.9
662S28.2Very low29.3Very low121 Ų121141.3 Ų141.385%0.84684%0.836SS**  trans-74.7140.4-175.752.30000113.9
663S27.8Very low29.6Very low122 Ų122136.9 Ų136.985%0.85383%0.83SS**  trans-160.8126.1136.159.30000111.6
664I34.6Very low30.1Very low179 Ų179137.6 Ų137.692%0.91883%0.829SS**  trans-69.7135177.4-68.4161.5000110.3
665G26.8Very low31.1Very low73 Ų73137.3 Ų137.375%0.75383%0.827SS**  trans-167.5100.2166.700000109.4
666G29Very low32.3Very low73 Ų73139.4 Ų139.475%0.75383%0.825SS**  trans-70.2143-177.100000112.9
667S26.9Very low34.2Very low118 Ų118137.2 Ų137.283%0.82581%0.814SS**  trans-167.6124.5138.9-83.90000109.8T669S667-T669 PolarHBondContact O-N 3.25Å
668N37.5Very low36.3Very low165 Ų165128.8 Ų128.888%0.88278%0.783SS**  trans-63.9116.3172.3-87.4-29.2000109.8
669T39Very low38.6Very low131 Ų131129.1 Ų129.180%0.80477%0.769SS**  trans174.299.8147.723.40000108.9S667S667-T669 PolarHBondContact O-N 3.25Å
670Q31.1Very low41.2Very low192 Ų192119.9 Ų119.990%0.89773%0.727SS**  trans-142.197.9166.3-71.1-170.6-8.800111.1
671I30.7Very low43.8Very low150 Ų150114.7 Ų114.777%0.76971%0.705SS**  trans30.8127.5130.6-50.3172.3000117G673I671-G673 PolarHBondContact O-N 2.75Å
672P33.7Very low46.4Very low131 Ų131112.2 Ų112.285%0.85167%0.673SS**SBendtrans-62.3121.2169-8.322.4000110.1
673G33Very low49.1Very low69 Ų69107.3 Ų107.371%0.71164%0.639SS**PPolyproline II helixtrans-58.6140.9-16700000115.6I671I671-G673 PolarHBondContact O-N 2.75Å
674T37.9Very low51.8Low128 Ų128101.5 Ų101.579%0.78560%0.599SS**PPolyproline II helixtrans-53.8140.3165.139.10000110.8F676T674-F676 PolarHBondContact O-N 2.96Å
675P47.6Very low54.2Low107 Ų10794.9 Ų94.970%0.69556%0.562SS**PPolyproline II helixtrans-60.7128.7172.425.4-31.5000108.3Q677P675-Q677 PolarHBondContact O-N 2.79Å
676F53.3Low57Low177 Ų17791.4 Ų91.478%0.77653%0.526SS*.  trans-52.4112172.3-87.4-87.1000108.9P611 T674P611-F676 HydrophobicContact CG-CB 4.14Å; T674-F676 PolarHBondContact O-N 2.96Å
677Q64.7Low59.5Low132 Ų13290.4 Ų90.462%0.61750%0.504SS*.  trans-99.1127.4-175.8-139.5175.8100108.3P574 P675 I679P574-Q677 HydrophobicContact CB-CB 4.26Å; P574-Q677 HydrophobicContact CB-CG 3.41Å; P574-Q677 VanDerWaalsContact CB-CG 3.41Å; P574-Q677 HydrophobicContact CG-CG 3.88Å; P675-Q677 PolarHBondContact O-N 2.79Å; Q677-I679 PolarHBondContact O-N 2.8Å
678Y73.3Confident62.3Low64 Ų6486 Ų8625%0.25147%0.474SS..  trans-67.3126.9174.9171.1-104.6000109.3P574 M606 A607 P680P574-Y678 VanDerWaalsContact CA-O 3.26Å; P574-Y678 WeakPolarHBondContact CA-O 3.28Å; P574-Y678 VanDerWaalsContact CB-O 3.26Å; P574-Y678 WeakPolarHBondContact CB-O 3.4Å; M606-Y678 HydrophobicContact CB-CD2 3.68Å; M606-Y678 HydrophobicContact CB-CE2 3.74Å; M606-Y678 HydrophobicContact CB-CG 4.32Å; M606-Y678 HydrophobicContact CG-CE2 4.46Å; A607-Y678 HydrophobicContact CB-CD1 3.79Å; A607-Y678 HydrophobicContact CB-CG 4.26Å; Y678-P680 HydrophobicContact CE1-CB 4.1Å
679I75.9Confident64.5Low109 Ų10983 Ų8356%0.55946%0.458SS*.  trans-114.5116.2178.1-60.7175.1000107.5G572 Q677G572-I679 VanDerWaalsContact CA-CG2 3.44Å; Q677-I679 PolarHBondContact O-N 2.8Å
680P78.4Confident66.5Low2 Ų277 Ų771%0.01342%0.421CS..  trans-73.7142.117630.9-33000110.7G572 K573 Y678 F682G572-P680 PolarHBondContact N-O 2.75Å; G572-P680 VanDerWaalsContact N-O 3.12Å; K573-P680 WeakPolarHBondContact O-CD 3.45Å; K573-P680 VanDerWaalsContact O-CG 3.24Å; K573-P680 WeakPolarHBondContact O-CG 3.29Å; Y678-P680 HydrophobicContact CE1-CB 4.1Å; P680-F682 VanDerWaalsContact C-N 3.32Å; P680-F682 HydrophobicContact CB-CD1 4.11Å; P680-F682 HydrophobicContact CB-CE1 3.82Å; P680-F682 HydrophobicContact CB-CE2 4.27Å; P680-F682 HydrophobicContact CB-CG 4.46Å; P680-F682 HydrophobicContact CB-CZ 3.9Å
681D81.9Confident68.9Low90 Ų9069.3 Ų69.348%0.48139%0.385SS..SBendtrans-90.94.2173.563.2-36.7000113
682F84.1Confident71.3Confident23 Ų2363.2 Ų63.210%0.10135%0.353CS..EExtended strand (participates in β ladder)trans-124.1159-179.759.5-92.8000112.4Y569 K571 V586 E587 A588 Y603 P680 V684Y569-F682 HydrophobicContact CD2-CE2 4.23Å; Y569-F682 HydrophobicContact CG-CE2 4.14Å; K571-F682 PolarHBondContact N-O 2.74Å; V586-F682 HydrophobicContact CG1-CB 4.22Å; V586-F682 HydrophobicContact CG1-CD2 4.48Å; E587-F682 CarbonylContact O-C 3.55Å; E587-F682 WeakPolarHBondContact O-CA 3.49Å; E587-F682 WeakPolarHBondContact O-CB 3.31Å; A588-F682 HydrophobicContact CB-CB 3.91Å; Y603-F682 AromaticContact CD1-CE2 4Å; Y603-F682 HydrophobicContact CD1-CE2 4Å; Y603-F682 HydrophobicContact CD1-CZ 4.35Å; Y603-F682 HydrophobicContact CG-CE2 4.28Å; P680-F682 VanDerWaalsContact C-N 3.32Å; P680-F682 HydrophobicContact CB-CD1 4.11Å; P680-F682 HydrophobicContact CB-CE1 3.82Å; P680-F682 HydrophobicContact CB-CE2 4.27Å; P680-F682 HydrophobicContact CB-CG 4.46Å; P680-F682 HydrophobicContact CB-CZ 3.9Å; F682-V684 HydrophobicContact CD2-CG2 3.68Å; F682-V684 HydrophobicContact CE2-CG2 3.83Å
683S83.8Confident73.6Confident19 Ų1957.6 Ų57.613%0.13332%0.316CS..EExtended strand (participates in β ladder)trans-118.3139.1169.5-53.70000109.7Y569 K571 V586 E587Y569-S683 CarbonylContact O-C 3.52Å; Y569-S683 VanDerWaalsContact O-CA 3.26Å; Y569-S683 WeakPolarHBondContact O-CA 3.39Å; Y569-S683 WeakPolarHBondContact O-CB 3.35Å; K571-S683 WeakPolarHBondContact CB-OG 3.37Å; K571-S683 PolarHBondContact N-OG 3.49Å; V586-S683 CarbonylContact C-O 3.17Å; V586-S683 WeakPolarHBondContact CA-O 2.98Å; E587-S683 PolarHBondContact N-O 3.32Å; E587-S683 PolarHBondContact O-N 2.78Å
684V84.9Confident75.9Confident0 Ų057.5 Ų57.50%030%0.296CS..EExtended strand (participates in β ladder)trans-121.2127.9178.8-174.50000108.7F567 L568 Y569 V584 E585 V586 Y603 F682F567-V684 CarbonylContact C-O 3.49Å; F567-V684 WeakPolarHBondContact CA-O 3.23Å; L568-V684 HydrophobicContact CB-CB 4.29Å; L568-V684 HydrophobicContact CB-CG1 4.41Å; L568-V684 HydrophobicContact CD1-CG1 4.11Å; L568-V684 PolarHBondContact N-O 2.89Å; Y569-V684 HydrophobicContact CD2-CB 3.86Å; Y569-V684 HydrophobicContact CD2-CG2 3.62Å; Y569-V684 HydrophobicContact CE2-CG2 4.48Å; Y569-V684 HydrophobicContact CG-CG2 4.31Å; Y569-V684 PolarHBondContact N-O 3.06Å; Y569-V684 PolarHBondContact O-N 2.84Å; V584-V684 HydrophobicContact CB-CG1 3.75Å; V584-V684 HydrophobicContact CG1-CG1 4.27Å; V584-V684 HydrophobicContact CG2-CG1 3.73Å; E585-V684 WeakPolarHBondContact O-CA 3.41Å; V586-V684 HydrophobicContact CG1-CG2 4.39Å; V586-V684 HydrophobicContact CG2-CG1 4.37Å; V586-V684 HydrophobicContact CG2-CG2 4.23Å; Y603-V684 HydrophobicContact CD1-CG2 4.24Å; Y603-V684 HydrophobicContact CD2-CG2 4.37Å; Y603-V684 HydrophobicContact CE1-CG2 4.42Å; Y603-V684 HydrophobicContact CE2-CG1 4.39Å; Y603-V684 HydrophobicContact CG-CG2 4.23Å; F682-V684 HydrophobicContact CD2-CG2 3.68Å; F682-V684 HydrophobicContact CE2-CG2 3.83Å
685R85.1Confident78.1Confident40 Ų4051.6 Ų51.615%0.15126%0.26CS..EExtended strand (participates in β ladder)trans-126.6137.6-175.4-173.6-178.365.280.4-7.5111.1Y566 F567 V584 E585Y566-R685 WeakPolarHBondContact O-CA 3.35Å; F567-R685 HydrophobicContact CD1-CB 4.09Å; F567-R685 HydrophobicContact CD1-CG 4.4Å; F567-R685 HydrophobicContact CE1-CB 3.99Å; F567-R685 HydrophobicContact CE1-CG 4.18Å; F567-R685 HydrophobicContact CE2-CG 4.42Å; F567-R685 HydrophobicContact CZ-CB 4.49Å; F567-R685 HydrophobicContact CZ-CG 4.2Å; V584-R685 CarbonylContact C-O 3.42Å; V584-R685 VanDerWaalsContact CA-O 3.27Å; V584-R685 WeakPolarHBondContact CA-O 3.47Å; V584-R685 WeakPolarHBondContact CB-O 3.35Å; E585-R685 VanDerWaalsContact CD-NH2 3.29Å; E585-R685 PolarHBondContact N-O 2.79Å; E585-R685 PolarHBondContact O-N 2.95Å; E585-R685 IonicContact OE1-NH2 3.61Å; E585-R685 IonicContact OE2-CZ 3.21Å; E585-R685 IonicContact OE2-NE 2.9Å; E585-R685 PolarHBondContact OE2-NE 2.95Å; E585-R685 IonicContact OE2-NH2 2.69Å; E585-R685 PolarHBondContact OE2-NH2 2.03Å
686A84.3Confident79.8Confident0 Ų048.8 Ų48.80%024%0.24CC..EExtended strand (participates in β ladder)trans-67.4135.2172.900000112.1L554 F556 Y566 L690L554-A686 HydrophobicContact CD2-CB 3.81Å; F556-A686 HydrophobicContact CD2-CB 4.25Å; F556-A686 VanDerWaalsContact CE2-O 3.32Å; F556-A686 WeakPolarHBondContact CE2-O 3.25Å; Y566-A686 PolarHBondContact O-N 3.42Å; A686-L690 HydrophobicContact CB-CD1 3.43Å; A686-L690 VanDerWaalsContact CB-CD1 3.43Å; A686-L690 HydrophobicContact CB-CG 3.89Å
687L82.9Confident81.1Confident52 Ų5243.8 Ų43.827%0.27222%0.216SC..SBendtrans-107.8-19.1170.3-64.6175.2000113R583 E585 E596R583-L687 HydrophobicContact CB-CB 4.19Å; R583-L687 WeakPolarHBondContact O-CB 3.28Å; R583-L687 PolarHBondContact O-N 2.83Å; E585-L687 HydrophobicContact CB-CD1 4.04Å; E585-L687 HydrophobicContact CB-CD2 4.06Å; E585-L687 HydrophobicContact CB-CG 4.04Å; E596-L687 HydrophobicContact CG-CD1 3.89Å
688A84.6Confident81.9Confident24 Ų2440.2 Ų40.220%0.19821%0.209CC..SBendtrans-146.1179-179.100000109.2F556 L690F556-A688 VanDerWaalsContact CB-C 3.4Å; A688-L690 WeakPolarHBondContact O-CG 3.28Å; A688-L690 PolarHBondContact O-N 3.12Å
689D84Confident82.4Confident103 Ų10338.8 Ų38.855%0.55121%0.205SC*.  trans-53.4128.8168.1-68.8-17.7000109.3L554 K555 F556L554-D689 WeakPolarHBondContact O-CA 3.46Å; K555-D689 WeakPolarHBondContact CA-OD1 2.96Å; F556-D689 PolarHBondContact N-OD1 2.89Å
690L80.4Confident82.9Confident6 Ų633.8 Ų33.83%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-116.2139.2-178.8-62-177000110.1E553 L554 L568 Q581 V584 A686 A688 Y692E553-L690 CarbonylContact C-O 3.59Å; E553-L690 WeakPolarHBondContact CA-O 3.42Å; L554-L690 HydrophobicContact CB-CB 4.38Å; L554-L690 PolarHBondContact N-O 3.35Å; L554-L690 PolarHBondContact O-N 3.42Å; L568-L690 HydrophobicContact CD1-CD1 3.67Å; L568-L690 HydrophobicContact CG-CD1 4.38Å; Q581-L690 WeakPolarHBondContact O-CA 3.02Å; V584-L690 HydrophobicContact CG1-CD1 3.55Å; V584-L690 HydrophobicContact CG1-CD2 3.65Å; V584-L690 HydrophobicContact CG1-CG 4.26Å; A686-L690 HydrophobicContact CB-CD1 3.43Å; A686-L690 VanDerWaalsContact CB-CD1 3.43Å; A686-L690 HydrophobicContact CB-CG 3.89Å; A688-L690 WeakPolarHBondContact O-CG 3.28Å; A688-L690 PolarHBondContact O-N 3.12Å; L690-Y692 HydrophobicContact CB-CD1 4.16Å
691Q81.6Confident83.2Confident29 Ų2937.6 Ų37.614%0.13620%0.196CC..EExtended strand (participates in β ladder)trans-121.3125.8163.8-172.6179.566.400107.2I512 I551 Q552 E553 Q581I512-Q691 HydrophobicContact CD1-CG 4.17Å; I512-Q691 VanDerWaalsContact CG1-CD 3.43Å; I512-Q691 HydrophobicContact CG1-CG 4.48Å; I512-Q691 VanDerWaalsContact CG1-NE2 3.26Å; I551-Q691 HydrophobicContact CG2-CG 4.27Å; Q552-Q691 CarbonylContact O-C 3.56Å; Q552-Q691 WeakPolarHBondContact O-CA 3.39Å; E553-Q691 HydrophobicContact CG-CB 4.2Å; E553-Q691 HydrophobicContact CG-CG 3.87Å; E553-Q691 PolarHBondContact OE1-NE2 2.96Å; Q581-Q691 HydrophobicContact CB-CB 4.33Å; Q581-Q691 PolarHBondContact N-O 3.05Å; Q581-Q691 PolarHBondContact O-N 3.09Å
692Y81.1Confident83.4Confident23 Ų2338.2 Ų38.29%0.0920%0.2CC..EExtended strand (participates in β ladder)trans-145.7154.7-170.963.7-95.8000114I551 Q552 L554 L568 C578 V579 D580 L690 K694I551-Y692 WeakPolarHBondContact CA-O 3.48Å; Q552-Y692 HydrophobicContact CB-CD2 4.38Å; Q552-Y692 HydrophobicContact CB-CE1 4.24Å; Q552-Y692 HydrophobicContact CB-CE2 3.77Å; Q552-Y692 HydrophobicContact CG-CE2 4.33Å; Q552-Y692 PolarHBondContact N-O 2.83Å; Q552-Y692 PolarHBondContact O-N 2.79Å; Q552-Y692 PolarHBondContact OE1-OH 3.35Å; L554-Y692 HydrophobicContact CB-CE1 4.01Å; L568-Y692 HydrophobicContact CD2-CD1 4Å; L568-Y692 HydrophobicContact CD2-CE1 3.57Å; L568-Y692 HydrophobicContact CD2-CE2 4.14Å; L568-Y692 HydrophobicContact CD2-CG 4.46Å; C578-Y692 WeakPolarHBondContact SG-CB 3.43Å; C578-Y692 WeakPolarHBondContact SG-CD2 3.44Å; V579-Y692 CarbonylContact O-C 3.46Å; V579-Y692 WeakPolarHBondContact O-CA 3.29Å; V579-Y692 WeakPolarHBondContact O-CB 3.46Å; D580-Y692 WeakPolarHBondContact OD1-CB 3.42Å; L690-Y692 HydrophobicContact CB-CD1 4.16Å; Y692-K694 HydrophobicContact CD2-CB 4.14Å; Y692-K694 HydrophobicContact CE2-CB 3.95Å; Y692-K694 HydrophobicContact CE2-CD 4.37Å
693V81.8Confident83.5Confident13 Ų1337.4 Ų37.48%0.07920%0.197CC..EExtended strand (participates in β ladder)trans-97.2109.8178.1-176.20000109.7L545 V550 C578 V579 V695L545-V693 HydrophobicContact CD2-CG1 3.72Å; L545-V693 HydrophobicContact CD2-CG2 4.24Å; V550-V693 HydrophobicContact CG1-CG1 3.59Å; V550-V693 CarbonylContact O-C 3.47Å; C578-V693 CarbonylContact C-O 3.56Å; C578-V693 WeakPolarHBondContact CA-O 3.47Å; V579-V693 HydrophobicContact CB-CB 4.15Å; V579-V693 HydrophobicContact CB-CG2 4.41Å; V579-V693 PolarHBondContact N-O 3Å; V579-V693 VanDerWaalsContact N-O 3.13Å; V579-V693 PolarHBondContact O-N 3.04Å; V693-V695 HydrophobicContact CG1-CG2 3.99Å
694K82.7Confident83.6Confident67 Ų6738.3 Ų38.329%0.29120%0.2SC..EExtended strand (participates in β ladder)trans-104.2105.6177-173.7177.1-179.4175.60111.6V550 V577 Y692V550-K694 PolarHBondContact O-N 3.3Å; V577-K694 VanDerWaalsContact O-CA 3.3Å; V577-K694 WeakPolarHBondContact O-CA 3.48Å; Y692-K694 HydrophobicContact CD2-CB 4.14Å; Y692-K694 HydrophobicContact CE2-CB 3.95Å; Y692-K694 HydrophobicContact CE2-CD 4.37Å
695V83.1Confident83.6Confident4 Ų443.1 Ų43.12%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-103.8113.1178.6-175.50000110.9F531 I544 V550 S576 V577 L608 V693 Q699F531-V695 HydrophobicContact CE1-CG1 4.36Å; F531-V695 HydrophobicContact CZ-CB 4.26Å; F531-V695 HydrophobicContact CZ-CG1 4.12Å; F531-V695 HydrophobicContact CZ-CG2 4.18Å; I544-V695 HydrophobicContact CG2-CG1 4.32Å; I544-V695 HydrophobicContact CG2-CG2 4.17Å; V550-V695 HydrophobicContact CG1-CG2 4.16Å; S576-V695 WeakPolarHBondContact CB-O 3.19Å; V577-V695 PolarHBondContact O-N 3.08Å; L608-V695 HydrophobicContact CD2-CG1 4.45Å; L608-V695 WeakPolarHBondContact CD2-O 3.49Å; V693-V695 HydrophobicContact CG1-CG2 3.99Å; V695-Q699 HydrophobicContact CG1-CB 4.35Å
696T83.5Confident83.6Confident47 Ų4742.8 Ų42.829%0.28823%0.232SC..  trans-72.9155175.567.30000111.9A698 Q699 Y700T696-A698 PolarHBondContact O-N 2.8Å; T696-Q699 PolarHBondContact O-N 3.39Å; T696-Q699 WeakPolarHBondContact OG1-CB 3.44Å; T696-Q699 VanDerWaalsContact OG1-CG 3.25Å; T696-Q699 WeakPolarHBondContact OG1-CG 3.24Å; T696-Q699 PolarHBondContact OG1-N 2.79Å; T696-Q699 PolarHBondContact OG1-OE1 2.87Å; T696-Y700 PolarHBondContact O-N 3.25Å
697R80.9Confident83.6Confident73 Ų7343 Ų4328%0.27523%0.233SC..Hα-helixtrans-56.5-37.9175-172.9179.8-166.5160.910.9112.5S609 T610 Y700 Q701S609-R697 PolarHBondContact O-NH2 2.87Å; T610-R697 VanDerWaalsContact CA-NH2 3.33Å; R697-Y700 PolarHBondContact O-N 2.91Å; R697-Q701 WeakPolarHBondContact O-CB 3.2Å; R697-Q701 WeakPolarHBondContact O-CG 3.49Å; R697-Q701 PolarHBondContact O-N 2.86Å
698A82Confident83.6Confident56 Ų5648.7 Ų48.746%0.46325%0.251SS..Hα-helixtrans-64.5-46.1177.600000111.7T696 Y700 Q701 N702T696-A698 PolarHBondContact O-N 2.8Å; A698-Y700 VanDerWaalsContact C-N 3.34Å; A698-Y700 PolarHBondContact O-N 3.09Å; A698-Q701 PolarHBondContact O-N 2.91Å; A698-N702 WeakPolarHBondContact O-CB 3.35Å; A698-N702 PolarHBondContact O-N 3.24Å; A698-N702 PolarHBondContact O-ND2 3.03Å; A698-N702 PolarHBondContact O-OD1 3.24Å
699Q84.1Confident83.4Confident34 Ų3453.8 Ų53.816%0.15927%0.274CS..Hα-helixtrans-60.8-42.4175.8-73.6159.7-2400111.7V695 T696 N702 A703V695-Q699 HydrophobicContact CG1-CB 4.35Å; T696-Q699 PolarHBondContact O-N 3.39Å; T696-Q699 WeakPolarHBondContact OG1-CB 3.44Å; T696-Q699 VanDerWaalsContact OG1-CG 3.25Å; T696-Q699 WeakPolarHBondContact OG1-CG 3.24Å; T696-Q699 PolarHBondContact OG1-N 2.79Å; T696-Q699 PolarHBondContact OG1-OE1 2.87Å; Q699-N702 PolarHBondContact O-N 3.27Å; Q699-A703 WeakPolarHBondContact O-CB 3.39Å; Q699-A703 PolarHBondContact O-N 2.89Å
700Y85.1Confident82.7Confident5 Ų552.5 Ų52.52%0.0227%0.267CS..Hα-helixtrans-64.7-43176.7-179.2-100.6000112.9L530 F531 Q535 I536 L608 T696 R697 A698 A703 L704L530-Y700 HydrophobicContact CB-CE2 4Å; L530-Y700 WeakPolarHBondContact CB-OH 3.34Å; L530-Y700 WeakPolarHBondContact O-CE2 2.99Å; L530-Y700 PolarHBondContact O-OH 3.07Å; F531-Y700 HydrophobicContact CD1-CD2 4.25Å; F531-Y700 HydrophobicContact CD1-CE2 4.14Å; F531-Y700 AromaticContact CE1-CD2 3.63Å; F531-Y700 HydrophobicContact CE1-CD2 3.63Å; F531-Y700 AromaticContact CE1-CE2 3.95Å; F531-Y700 HydrophobicContact CE1-CE2 3.95Å; F531-Y700 AromaticContact CZ-CD2 3.95Å; F531-Y700 HydrophobicContact CZ-CD2 3.95Å; F531-Y700 HydrophobicContact CZ-CE2 4.31Å; Q535-Y700 PolarHBondContact OE1-OH 2.82Å; I536-Y700 HydrophobicContact CD1-CD2 3.6Å; I536-Y700 HydrophobicContact CD1-CE2 3.31Å; I536-Y700 HydrophobicContact CG1-CE2 4.34Å; L608-Y700 HydrophobicContact CB-CD1 3.91Å; L608-Y700 HydrophobicContact CB-CE1 4.28Å; L608-Y700 HydrophobicContact CB-CG 4.07Å; L608-Y700 HydrophobicContact CD1-CD2 4.07Å; L608-Y700 HydrophobicContact CD1-CG 4.25Å; L608-Y700 HydrophobicContact CD2-CG 4.38Å; L608-Y700 HydrophobicContact CG-CG 4.46Å; T696-Y700 PolarHBondContact O-N 3.25Å; R697-Y700 PolarHBondContact O-N 2.91Å; A698-Y700 VanDerWaalsContact C-N 3.34Å; A698-Y700 PolarHBondContact O-N 3.09Å; Y700-A703 WeakPolarHBondContact O-CB 3.2Å; Y700-A703 PolarHBondContact O-N 3.2Å; Y700-L704 HydrophobicContact CD1-CD1 3.94Å; Y700-L704 HydrophobicContact CD1-CG 4.41Å; Y700-L704 HydrophobicContact CE1-CD1 3.4Å; Y700-L704 HydrophobicContact CE1-CG 3.96Å; Y700-L704 PolarHBondContact O-N 3.39Å
701Q85.1Confident81.8Confident81 Ų8156.2 Ų56.238%0.37929%0.294SS..Hα-helixtrans-65-39.8176.1-74.9-179-26.400112.2R697 A698 A703 L704 L705R697-Q701 WeakPolarHBondContact O-CB 3.2Å; R697-Q701 WeakPolarHBondContact O-CG 3.49Å; R697-Q701 PolarHBondContact O-N 2.86Å; A698-Q701 PolarHBondContact O-N 2.91Å; Q701-A703 VanDerWaalsContact C-N 3.3Å; Q701-A703 PolarHBondContact O-N 2.92Å; Q701-L704 PolarHBondContact O-N 2.82Å; Q701-L705 WeakPolarHBondContact O-CG 3.44Å; Q701-L705 PolarHBondContact O-N 3.07Å
702N86.5Confident80.2Confident104 Ų10458.9 Ų58.956%0.55631%0.312SS*.Hα-helixtrans-62.7-39.1174-68.9-12.6000111.4A698 Q699 L705 A706A698-N702 WeakPolarHBondContact O-CB 3.35Å; A698-N702 PolarHBondContact O-N 3.24Å; A698-N702 PolarHBondContact O-ND2 3.03Å; A698-N702 PolarHBondContact O-OD1 3.24Å; Q699-N702 PolarHBondContact O-N 3.27Å; N702-L705 PolarHBondContact O-N 2.94Å; N702-A706 WeakPolarHBondContact O-CB 3Å; N702-A706 PolarHBondContact O-N 3.31Å
703A85.6Confident78.1Confident5 Ų563.7 Ų63.74%0.04135%0.346CS..Hα-helixtrans-66.4-39.4175.200000113.4I536 V540 I544 Q699 Y700 Q701 L705 A706 S707I536-A703 HydrophobicContact CD1-CB 4.01Å; V540-A703 HydrophobicContact CG1-CB 3.73Å; I544-A703 HydrophobicContact CD1-CB 3.23Å; I544-A703 HydrophobicContact CG1-CB 3.86Å; Q699-A703 WeakPolarHBondContact O-CB 3.39Å; Q699-A703 PolarHBondContact O-N 2.89Å; Y700-A703 WeakPolarHBondContact O-CB 3.2Å; Y700-A703 PolarHBondContact O-N 3.2Å; Q701-A703 VanDerWaalsContact C-N 3.3Å; Q701-A703 PolarHBondContact O-N 2.92Å; A703-L705 VanDerWaalsContact C-N 3.32Å; A703-L705 PolarHBondContact O-N 2.81Å; A703-A706 PolarHBondContact O-N 2.91Å; A703-S707 WeakPolarHBondContact O-CB 3.3Å; A703-S707 PolarHBondContact O-N 2.8Å; A703-S707 PolarHBondContact O-OG 3.41Å
704L85.7Confident75.8Confident38 Ų3872.2 Ų72.220%0.19939%0.385CS..Hα-helixtrans-61.7-41.6172.9-76.9174.6000111.6Q535 I536 Y700 Q701 R708Q535-L704 HydrophobicContact CB-CD2 4.12Å; Q535-L704 WeakPolarHBondContact O-CD2 3.39Å; I536-L704 HydrophobicContact CG1-CD2 3.93Å; I536-L704 HydrophobicContact CG1-CG 4.44Å; Y700-L704 HydrophobicContact CD1-CD1 3.94Å; Y700-L704 HydrophobicContact CD1-CG 4.41Å; Y700-L704 HydrophobicContact CE1-CD1 3.4Å; Y700-L704 HydrophobicContact CE1-CG 3.96Å; Y700-L704 PolarHBondContact O-N 3.39Å; Q701-L704 PolarHBondContact O-N 2.82Å; L704-R708 VanDerWaalsContact O-CG 3.32Å; L704-R708 WeakPolarHBondContact O-CG 3.17Å; L704-R708 PolarHBondContact O-N 3.15Å; L704-R708 VanDerWaalsContact O-N 3.07Å
705L85.8Confident73.3Confident101 Ų10173.3 Ų73.353%0.52940%0.401SS..Hα-helixtrans-64.4-45.8175.5-70.6170.7000111.3Q701 N702 A703 S707 R708 L709Q701-L705 WeakPolarHBondContact O-CG 3.44Å; Q701-L705 PolarHBondContact O-N 3.07Å; N702-L705 PolarHBondContact O-N 2.94Å; A703-L705 VanDerWaalsContact C-N 3.32Å; A703-L705 PolarHBondContact O-N 2.81Å; L705-S707 PolarHBondContact O-N 3.45Å; L705-R708 PolarHBondContact O-N 2.71Å; L705-L709 WeakPolarHBondContact O-CG 3.31Å; L705-L709 PolarHBondContact O-N 3.14Å; L705-L709 VanDerWaalsContact O-N 3.12Å
706A84.6Confident71Confident34 Ų3479.3 Ų79.328%0.28144%0.44SS..Hα-helixtrans-61.6-41.7177.100000112.4V540 N702 A703 R708 L709 D710V540-A706 HydrophobicContact CG1-CB 4.14Å; V540-A706 HydrophobicContact CG2-CB 4.18Å; N702-A706 WeakPolarHBondContact O-CB 3Å; N702-A706 PolarHBondContact O-N 3.31Å; A703-A706 PolarHBondContact O-N 2.91Å; A706-R708 VanDerWaalsContact C-N 3.35Å; A706-R708 PolarHBondContact O-N 2.83Å; A706-L709 PolarHBondContact O-N 3.08Å; A706-D710 PolarHBondContact O-N 2.9Å
707S84.9Confident68.4Low5 Ų585.1 Ų85.14%0.03546%0.464CS..Hα-helixtrans-66.2-36.7178.3-58.80000112.2I536 T537 V540 A703 L705 L709 D710 S711I536-S707 WeakPolarHBondContact CA-OG 3.44Å; T537-S707 PolarHBondContact N-OG 2.9Å; T537-S707 VanDerWaalsContact N-OG 3.16Å; V540-S707 WeakPolarHBondContact CB-OG 3.49Å; A703-S707 WeakPolarHBondContact O-CB 3.3Å; A703-S707 PolarHBondContact O-N 2.8Å; A703-S707 PolarHBondContact O-OG 3.41Å; L705-S707 PolarHBondContact O-N 3.45Å; S707-L709 VanDerWaalsContact C-N 3.35Å; S707-D710 PolarHBondContact O-N 2.74Å; S707-S711 WeakPolarHBondContact O-CB 3.47Å; S707-S711 PolarHBondContact O-N 3.08Å; S707-S711 PolarHBondContact O-OG 3.02Å
708R82.6Confident65.9Low170 Ų17084.3 Ų84.364%0.64248%0.479SS*.Hα-helixtrans-64.3-39.7173.5-75177.2-176-172.41.5112.1L704 L705 A706 S711 T712L704-R708 VanDerWaalsContact O-CG 3.32Å; L704-R708 WeakPolarHBondContact O-CG 3.17Å; L704-R708 PolarHBondContact O-N 3.15Å; L704-R708 VanDerWaalsContact O-N 3.07Å; L705-R708 PolarHBondContact O-N 2.71Å; A706-R708 VanDerWaalsContact C-N 3.35Å; A706-R708 PolarHBondContact O-N 2.83Å; R708-S711 WeakPolarHBondContact CA-OG 3.25Å; R708-S711 PolarHBondContact O-N 3.45Å; R708-S711 PolarHBondContact O-OG 3.26Å; R708-T712 PolarHBondContact O-N 3.14Å
709L79.4Confident63.2Low131 Ų13187.3 Ų87.369%0.68650%0.497SS*.Hα-helixtrans-68.1-35.3175.4-67.3168.3000112.2L705 A706 S707 S711 T712L705-L709 WeakPolarHBondContact O-CG 3.31Å; L705-L709 PolarHBondContact O-N 3.14Å; L705-L709 VanDerWaalsContact O-N 3.12Å; A706-L709 PolarHBondContact O-N 3.08Å; S707-L709 VanDerWaalsContact C-N 3.35Å; L709-S711 VanDerWaalsContact C-N 3.3Å; L709-S711 PolarHBondContact O-N 3.16Å; L709-T712 PolarHBondContact O-OG1 3.32Å
710D69.8Low60.6Low76 Ų7694 Ų9441%0.40653%0.528SS..Hα-helixtrans-70.5-27.1176-143.632.8000112T537 A706 S707T537-D710 PolarHBondContact OG1-OD2 2.85Å; A706-D710 PolarHBondContact O-N 2.9Å; S707-D710 PolarHBondContact O-N 2.74Å
711S62.9Low57.8Low85 Ų8599.4 Ų99.459%0.59456%0.561SS**Hα-helixtrans-85.1-11.5179.768.70000115.2S707 R708 L709S707-S711 WeakPolarHBondContact O-CB 3.47Å; S707-S711 PolarHBondContact O-N 3.08Å; S707-S711 PolarHBondContact O-OG 3.02Å; R708-S711 WeakPolarHBondContact CA-OG 3.25Å; R708-S711 PolarHBondContact O-N 3.45Å; R708-S711 PolarHBondContact O-OG 3.26Å; L709-S711 VanDerWaalsContact C-N 3.3Å; L709-S711 PolarHBondContact O-N 3.16Å
712T46.6Very low55Low84 Ų84106.6 Ų106.652%0.51558%0.584SS.*SBendtrans-81.7129.8174.745.10000110.7R708 L709 Q714R708-T712 PolarHBondContact O-N 3.14Å; L709-T712 PolarHBondContact O-OG1 3.32Å; T712-Q714 PolarHBondContact O-N 3.21Å; T712-Q714 VanDerWaalsContact O-N 3.15Å
713P37.9Very low52.2Low124 Ų124108.8 Ų108.881%0.80560%0.595SS**  trans-62.7120.1179.224.5-31000109.7S715P713-S715 PolarHBondContact O-N 2.83Å; P713-S715 VanDerWaalsContact O-N 3.15Å
714Q34.1Very low49.3Very low192 Ų192115.6 Ų115.690%0.89763%0.631SS**  trans-62.2115.3164.6-76.6-179-12.800107.8T712T712-Q714 PolarHBondContact O-N 3.21Å; T712-Q714 VanDerWaalsContact O-N 3.15Å
715S28.6Very low46.5Very low91 Ų91120.8 Ų120.864%0.63666%0.657SS**  trans-58.6145.3164.2-174.50000108.8P713 E717P713-S715 PolarHBondContact O-N 2.83Å; P713-S715 VanDerWaalsContact O-N 3.15Å; S715-E717 PolarHBondContact O-N 3.33Å
716P35.8Very low43.7Very low129 Ų129121.5 Ų121.584%0.83867%0.671SS**  trans-72.796.2179.429.7-31.7000108.8
717E28.5Very low40.9Very low169 Ų169127.2 Ų127.279%0.7970%0.695SS**  trans-102.4117.2167.7-83.2-175164.100110.3S715S715-E717 PolarHBondContact O-N 3.33Å
718G27.9Very low38.2Very low57 Ų57132.4 Ų132.459%0.58873%0.731SS**  57.6106.7117.500000115.9H720G718-H720 PolarHBondContact O-N 3.45Å
719S26.1Very low35.6Very low119 Ų119132.1 Ų132.183%0.83274%0.741SS**  trans-34.899.3155.750.10000112.7V721S719-V721 PolarHBondContact O-N 3.3Å
720H28.3Very low33.3Very low175 Ų175131.2 Ų131.281%0.8174%0.743SS**  trans-81.895.9165.2-93-82.5000108.9G718 R722G718-H720 PolarHBondContact O-N 3.45Å; H720-R722 PolarHBondContact O-N 2.86Å
721V27.2Very low31.5Very low118 Ų118133.5 Ų133.572%0.71576%0.762SS**  trans-60.5119.4160.2174.70000107.7S719 L723S719-V721 PolarHBondContact O-N 3.3Å; V721-L723 PolarHBondContact O-N 2.85Å
722R26.2Very low29.8Very low232 Ų232136.3 Ų136.388%0.87577%0.771SS**  trans-67.5113.5163.6-92.5-178.4171.4153.2-2.8108.3H720 D724H720-R722 PolarHBondContact O-N 2.86Å; R722-D724 PolarHBondContact O-N 3.27Å
723L26.7Very low29Very low150 Ų150139.8 Ų139.879%0.78579%0.786SS**  trans-76.8103162.9-101.1137000108.1V721V721-L723 PolarHBondContact O-N 2.85Å
724D25.4Very low28.5Very low147 Ų147137.3 Ų137.379%0.78678%0.783SS**  trans-98.7113.9157.9-85.3-33.8000108.7R722R722-D724 PolarHBondContact O-N 3.27Å
725I26.3Very low28.7Very low147 Ų147134.7 Ų134.775%0.75478%0.783SS**  trans-84.5110.4168.5-67.9165.1000106.8
726S28.2Very low28.7Very low116 Ų116133.7 Ų133.781%0.81179%0.787SS**  trans-144131.2152.558.50000110.2
727I26.4Very low28.3Very low155 Ų155137.2 Ų137.280%0.79579%0.792SS**  trans-85.8129.5-171.5-68.7162.8000109.2
728S27.9Very low28.3Very low113 Ų113135.4 Ų135.479%0.7979%0.793SS**  trans-158.4120.5146.557.10000110.8
729L28.3Very low28.3Very low164 Ų164138.8 Ų138.886%0.85980%0.802SS**  trans-62.3151.3175.3-74.7129.1000113
730P30Very low28.4Very low112 Ų112138.6 Ų138.673%0.72780%0.796SS**  trans-113.7153.3151.436-25.3000111.7
731P32.8Very low28.3Very low124 Ų124137.3 Ų137.381%0.80579%0.794SS**  trans-97.6135.4165.634.4-25.6000112.1
732D26.8Very low28.3Very low144 Ų144138.5 Ų138.577%0.7780%0.796SS**  trans48117.2132.6-133.90.7000121.2
733N29.3Very low28.3Very low158 Ų158133 Ų13385%0.84579%0.793SS**  178.1118.8127.4-93.9-32.5000113.1
734G28.4Very low28.3Very low71 Ų71134.8 Ų134.873%0.73280%0.797SS**  82.8135.5128.100000120.5
735P38.5Very low28.5Very low138 Ų138136.6 Ų136.690%0.89680%0.801SS**  trans-107.6163.5-168.440.4-31.1000114.9
736G26.6Very low28.8Very low70 Ų70135.5 Ų135.572%0.72280%0.804SS**  trans133.4111.415400000114.7
737E28.5Very low28.8Very low203 Ų203137.1 Ų137.195%0.94980%0.803SS**  167.9124.2105.9-90-175.6164.600111.4
738T28.6Very low28.8Very low130 Ų130136 Ų13680%0.79881%0.807SS**  trans-77.2137.4170.633.30000111.9
739T28Very low28.9Very low128 Ų128137.4 Ų137.479%0.78581%0.811SS**  trans-179.1108.4133.917.10000109.1
740T27.8Very low28.9Very low116 Ų116132.8 Ų132.871%0.71280%0.803SS**  60.7132.899.459.70000113.7
741L26.8Very low29.1Very low147 Ų147133.5 Ų133.577%0.7781%0.808SS**  cis-177.316624.8-119.9170.1000110
742L26.9Very low28.8Very low144 Ų144139.4 Ų139.475%0.75481%0.814SS**  trans97.387.7153.9-68.2157000120.2
743S26.1Very low29Very low117 Ų117144 Ų14482%0.81882%0.821SS**  trans-76.6134.8143.7-64.10000110.7
744E27Very low29.2Very low186 Ų186141.5 Ų141.587%0.86981%0.813SS**  trans-139.9110.9150.3-81.5-163.714700109.7
745Q28.7Very low29.1Very low185 Ų185143.9 Ų143.986%0.86482%0.818SS**  trans-106.3146.7151.9-92.4-178.1-21.600106.8
746P33.6Very low28.7Very low124 Ų124147.5 Ų147.581%0.80582%0.816SS**  -135.4143.2128.928.6-12.4000114.2
747N28.6Very low28.8Very low150 Ų150150.3 Ų150.380%0.80282%0.819SS**  trans-51.5144.7164.2-76.2-42.9000113
748C26.5Very low28.9Very low131 Ų131149.6 Ų149.689%0.88582%0.816SS**  trans-151.2106.4147.8-93.20000112.2
749V29Very low29.4Very low144 Ų144149.1 Ų149.187%0.87382%0.815SS**  trans-6119.6146.3-175.90000116.5
750G29Very low29.4Very low67 Ų67148.6 Ų148.669%0.69182%0.816SS**PPolyproline II helixtrans-89.4141.316600000112.5
751P33.2Very low29.7Very low126 Ų126152.4 Ų152.482%0.81883%0.826SS**PPolyproline II helixtrans-84.2140.6-178.332.3-31.2000112.6
752R28Very low29.9Very low248 Ų248153.6 Ų153.694%0.93683%0.827SS**PPolyproline II helixtrans-58.7130.1167.5-74.7173.2169.2165.9-4.1110.7
753R29.8Very low30.3Very low241 Ų241153.3 Ų153.391%0.90983%0.825SS**PPolyproline II helixtrans-75.4138.5164.6-77-178.1175.7179.9-1.6110.4
754P33.6Very low30.8Very low105 Ų105159.9 Ų159.968%0.68284%0.842SS**PPolyproline II helixtrans-84.7137.3169.432.4-29.4000111.1Y756P754-Y756 PolarHBondContact O-N 2.92Å
755S27.3Very low31Very low121 Ų121158.6 Ų158.685%0.84684%0.841SS**PPolyproline II helixtrans-64.1118.7166.848.10000110.7
756Y28.9Very low31.1Very low214 Ų214157.2 Ų157.284%0.83984%0.84SS**  trans-107.3125165.3-98.9-85000110.6P754P754-Y756 PolarHBondContact O-N 2.92Å
757T28.7Very low31Very low129 Ų129159.1 Ų159.179%0.79184%0.842SS**PPolyproline II helixtrans-61.3127.4172.613.20000111.7
758Q30.6Very low31.2Very low189 Ų189159.6 Ų159.688%0.88384%0.844SS**PPolyproline II helixtrans-80.1137.7160.6-82.4-179.8-24.500109.9
759P38.7Very low31.4Very low119 Ų119161.4 Ų161.477%0.77384%0.842SS**PPolyproline II helixtrans-92.4133.4158.233-24.7000110.3
760S29.3Very low31.6Very low117 Ų117162.5 Ų162.582%0.81884%0.839SS**PPolyproline II helixtrans-56.3133.1163.833.30000112
761Q33.9Very low31.8Very low196 Ų196169.4 Ų169.492%0.91685%0.85SS**  trans-133.7138.2156.8-83.9-165.8-17.200111.9
762H30.7Very low31.7Very low172 Ų172172.7 Ų172.780%0.79685%0.853SS**  trans-69.4144.6-173.9-84.8-98.5000113.8
763I34.5Very low32Very low138 Ų138166.4 Ų166.471%0.70885%0.846SS**  18.2114.5129.8-55.2168.4000115.9
764H37.9Very low32.2Very low256 Ų256159.6 Ų159.6100%1.18584%0.84SS**  -157.20118.5-114.8-57.2000112.6

Retrieved 764 of 764 residues in 152.2 ms (Link to these results)

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