A0A087Y9Q9_POEFO Loading...

Protein kinase C

AlphaFold DB , UniProt , Accession A0A087Y9Q9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 600 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
1M34.9Very low29.1Very low245 Ų245144.4 Ų144.4100%1.20785%0.845SS**  0112.90-73.1-178.3-82.700108
2L26.5Very low29.8Very low179 Ų179144.4 Ų144.494%0.93784%0.839SS**  trans-141.8131.9168.4-78.8171.3000105.6
3A29Very low30.9Very low105 Ų105139.5 Ų139.587%0.86882%0.818SS**PPolyproline II helixtrans-80.1127.7179.300000109.6
4S29.3Very low33.7Very low115 Ų115138.6 Ų138.680%0.80480%0.802SS**PPolyproline II helixtrans-80.3141.5175.851.30000111.2G6S4-G6 PolarHBondContact O-N 3.2Å
5N29Very low36.7Very low163 Ų163140.5 Ų140.587%0.87279%0.791SS**PPolyproline II helixtrans-52.4118.3176.9-64.7-17000111.8S7N5-S7 PolarHBondContact O-N 3.11Å
6G26.3Very low39.5Very low78 Ų78132.1 Ų132.180%0.80474%0.744SS**  trans-7994.315900000108.6S4 I8S4-G6 PolarHBondContact O-N 3.2Å; G6-I8 PolarHBondContact O-N 3.18Å
7S26Very low42.2Very low97 Ų97128.3 Ų128.368%0.67872%0.717SS**  trans-62.4122.3171.551.50000109.6N5 M9N5-S7 PolarHBondContact O-N 3.11Å; S7-M9 PolarHBondContact O-N 3.39Å
8I31.1Very low44.8Very low156 Ų156121.3 Ų121.380%0.868%0.678SS**  trans-58.2126.5163-63.1174000106.5G6 D10G6-I8 PolarHBondContact O-N 3.18Å; I8-D10 PolarHBondContact O-N 3.4Å; I8-D10 VanDerWaalsContact O-N 3.14Å
9M27.1Very low47.1Very low160 Ų160116.6 Ų116.679%0.78865%0.65SS**  trans-75.2102.7177.8-75.3-179.7167.500109.2S7 L11S7-M9 PolarHBondContact O-N 3.39Å; M9-L11 PolarHBondContact O-N 2.71Å
10D30Very low49.2Very low154 Ų154110.8 Ų110.882%0.82462%0.617SS**  trans-61.5101.4158.1-81.7-39000108.5I8I8-D10 PolarHBondContact O-N 3.4Å; I8-D10 VanDerWaalsContact O-N 3.14Å
11L31.1Very low51Low136 Ų136106.5 Ų106.571%0.71259%0.592SS**  trans-118.2109.1165.6-86.7165.3000107.2M9 S13M9-L11 PolarHBondContact O-N 2.71Å; L11-S13 PolarHBondContact O-N 3.39Å
12N36.9Very low53.4Low145 Ų14595.7 Ų95.778%0.77554%0.538SS*.  trans-69.869.9175.5-75.5-9.1000110.9E14N12-E14 PolarHBondContact O-N 2.98Å
13S43.8Very low56Low81 Ų8196.4 Ų96.457%0.56653%0.529SS*.  trans-71.482.8159.5-640000107.8L11 W15L11-S13 PolarHBondContact O-N 3.39Å; S13-W15 PolarHBondContact O-N 3.48Å; S13-W15 PolarHBondContact O-NE1 3.31Å
14E71.3Confident57.9Low127 Ų12793.3 Ų93.359%0.59351%0.506SS*.  trans-60.9134.9169.7-66.9-168.8160.400109.4N12 A33N12-E14 PolarHBondContact O-N 2.98Å; E14-A33 HydrophobicContact CB-CB 3.94Å; E14-A33 VanDerWaalsContact O-CB 3.28Å; E14-A33 WeakPolarHBondContact O-CB 3.49Å; E14-A33 PolarHBondContact O-N 3.46Å
15W77.8Confident60.3Low167 Ų16790.5 Ų90.563%0.63348%0.482SS*.EExtended strand (participates in β ladder)trans-108.9124.6178.7-67.580.4000109.9S13 D30 L31S13-W15 PolarHBondContact O-N 3.48Å; S13-W15 PolarHBondContact O-NE1 3.31Å; W15-D30 HydrophobicContact CE3-CB 4.4Å; W15-L31 CarbonylContact C-O 3.52Å; W15-L31 VanDerWaalsContact CA-O 3.26Å; W15-L31 WeakPolarHBondContact CA-O 3.47Å
16V82.2Confident62.9Low6 Ų683.3 Ų83.34%0.03644%0.443CS..EExtended strand (participates in β ladder)trans-91.8120.6174.7179.50000108.6V18 L31 A33 L80 Y83 L91V16-V18 HydrophobicContact CG1-CG2 4.24Å; V16-V18 PolarHBondContact O-N 3.19Å; V16-L31 PolarHBondContact N-O 3.41Å; V16-L31 PolarHBondContact O-N 3.11Å; V16-A33 HydrophobicContact CG2-CB 3.93Å; V16-L80 HydrophobicContact CB-CD2 4.28Å; V16-L80 HydrophobicContact CG1-CD2 3.69Å; V16-L80 HydrophobicContact CG2-CD2 3.84Å; V16-Y83 HydrophobicContact CG1-CE1 4.15Å; V16-Y83 HydrophobicContact CG2-CE1 4.21Å; V16-L91 HydrophobicContact CG1-CB 4.12Å
17K85.6Confident65.8Low67 Ų6780 Ų8029%0.29141%0.408SS..EExtended strand (participates in β ladder)trans-78.8112.4171.6-175.2177.7-59.3970109.1I28 T29 G90 L91K17-I28 HydrophobicContact CD-CG2 3.88Å; K17-I28 HydrophobicContact CG-CG2 3.78Å; K17-T29 CarbonylContact C-O 3.1Å; K17-T29 WeakPolarHBondContact CA-O 3.41Å; K17-G90 CarbonylContact O-C 3.56Å; K17-G90 VanDerWaalsContact O-C 3.24Å; K17-G90 WeakPolarHBondContact O-CA 3.33Å; K17-L91 PolarHBondContact O-N 3.25Å
18V88.1Confident68.7Low2 Ų275.8 Ų75.81%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-94.8134.8176.5176.90000109.7V16 I28 T29 L31 L40 V44 L91 L93V16-V18 HydrophobicContact CG1-CG2 4.24Å; V16-V18 PolarHBondContact O-N 3.19Å; V18-I28 WeakPolarHBondContact O-CA 3.48Å; V18-T29 HydrophobicContact CB-CG2 4Å; V18-T29 PolarHBondContact N-O 3.06Å; V18-T29 PolarHBondContact O-N 2.76Å; V18-L31 HydrophobicContact CG2-CD1 4.03Å; V18-L40 HydrophobicContact CG1-CD1 4.14Å; V18-L40 HydrophobicContact CG2-CD1 4.15Å; V18-V44 HydrophobicContact CG1-CG2 4.48Å; V18-L91 HydrophobicContact CG2-CD2 4.41Å; V18-L93 HydrophobicContact CG1-CD1 3.78Å; V18-L93 HydrophobicContact CG1-CG 4.4Å
19K89.1Confident71.5Confident32 Ų3268.8 Ų68.814%0.13934%0.342CS..EExtended strand (participates in β ladder)trans-121.3101.6178.4-57.8169.9-174153.20108.8M26 L27 I28 S89 G90 L91 L92 L93K19-M26 HydrophobicContact CB-SD 3.86Å; K19-L27 CarbonylContact C-O 3.54Å; K19-L27 WeakPolarHBondContact CA-O 3.33Å; K19-I28 HydrophobicContact CG-CG1 4.31Å; K19-S89 WeakPolarHBondContact CE-O 3.47Å; K19-S89 PolarHBondContact NZ-O 3.1Å; K19-S89 PolarHBondContact NZ-OG 2.97Å; K19-G90 PolarHBondContact NZ-O 2.96Å; K19-G90 VanDerWaalsContact NZ-O 3.17Å; K19-L91 PolarHBondContact N-O 2.69Å; K19-L92 HydrophobicContact CB-CD1 4.08Å; K19-L93 PolarHBondContact O-N 3.11Å
20A89.4Confident74.2Confident0 Ų062.8 Ų62.80%031%0.313CS..EExtended strand (participates in β ladder)trans-87.5111.1174.100000110.2L27 V44 M47 L93 V95A20-L27 HydrophobicContact CB-CB 4.27Å; A20-L27 PolarHBondContact N-O 2.92Å; A20-L27 WeakPolarHBondContact O-CB 3.37Å; A20-L27 PolarHBondContact O-N 3.04Å; A20-V44 HydrophobicContact CB-CG1 4.13Å; A20-M47 HydrophobicContact CB-CE 4.05Å; A20-L93 CarbonylContact C-O 3.58Å; A20-L93 WeakPolarHBondContact CA-O 3.42Å; A20-V95 HydrophobicContact CB-CG2 3.82Å
21H86.3Confident76.9Confident21 Ų2156.9 Ų56.910%0.09728%0.281CS..EExtended strand (participates in β ladder)trans-82119.2165.6173.2-110.4000109.7G24 L25 M26 L93 H94 V95 W122H21-G24 WeakPolarHBondContact NE2-CA 3.41Å; H21-G24 PolarHBondContact NE2-N 3.38Å; H21-L25 WeakPolarHBondContact CA-O 3.3Å; H21-L25 PolarHBondContact CD2-O 3.31Å; H21-M26 HydrophobicContact CB-CE 4.04Å; H21-M26 HydrophobicContact CB-SD 4.42Å; H21-L93 PolarHBondContact N-O 2.75Å; H21-H94 AromaticContact ND1-ND1 3.54Å; H21-V95 PolarHBondContact O-N 2.86Å; H21-W122 AromaticContact CD2-CE3 3.85Å; H21-W122 AromaticContact CD2-CZ3 3.71Å; H21-W122 AromaticContact NE2-CE3 3.86Å; H21-W122 AromaticContact NE2-CH2 3.88Å; H21-W122 AromaticContact NE2-CZ3 3.31Å; H21-W122 VanDerWaalsContact NE2-CZ3 3.31Å; H21-W122 WeakPolarHBondContact NE2-CZ3 3.35Å
22Y86.4Confident79.4Confident18 Ų1852 Ų527%0.07126%0.261CS..EExtended strand (participates in β ladder)trans-148125.6-178.7-179.2-112.1000110.5G24 L25 C48 V50 V95 P97Y22-G24 VanDerWaalsContact C-N 3.27Å; Y22-G24 PolarHBondContact O-N 3.09Å; Y22-L25 PolarHBondContact N-O 3.2Å; Y22-L25 WeakPolarHBondContact O-CB 3.46Å; Y22-L25 PolarHBondContact O-N 2.92Å; Y22-C48 HydrophobicContact CD1-CB 3.63Å; Y22-C48 HydrophobicContact CD2-CB 4.24Å; Y22-C48 HydrophobicContact CE1-CB 3.86Å; Y22-C48 WeakPolarHBondContact CE1-O 3.37Å; Y22-C48 HydrophobicContact CE2-CB 4.47Å; Y22-C48 HydrophobicContact CG-CB 3.82Å; Y22-V50 HydrophobicContact CE2-CG2 4.15Å; Y22-V95 HydrophobicContact CD2-CB 4.12Å; Y22-V95 HydrophobicContact CD2-CG1 4.09Å; Y22-V95 WeakPolarHBondContact CD2-O 3.36Å; Y22-P97 HydrophobicContact CE2-CB 4.08Å; Y22-P97 HydrophobicContact CE2-CG 3.96Å
23R79.9Confident81.5Confident195 Ų19546.8 Ų46.874%0.73624%0.238SC*.THydrogen-bonded Turntrans47.644179.3-57.1-175.2-175.2-161.31.3113.8L25R23-L25 PolarHBondContact O-N 2.85Å
24G70.3Confident83.4Confident39 Ų3949.1 Ų49.140%0.40225%0.249SC..THydrogen-bonded Turntrans77.6-5.5-179.500000115.6H21 Y22H21-G24 WeakPolarHBondContact NE2-CA 3.41Å; H21-G24 PolarHBondContact NE2-N 3.38Å; Y22-G24 VanDerWaalsContact C-N 3.27Å; Y22-G24 PolarHBondContact O-N 3.09Å
25L78.3Confident84.3Confident56 Ų5643.9 Ų43.929%0.29323%0.225SC..EExtended strand (participates in β ladder)trans-92.4146175.3-57.6179.6000110.9H21 Y22 R23 L27 R123 L125H21-L25 WeakPolarHBondContact CA-O 3.3Å; H21-L25 PolarHBondContact CD2-O 3.31Å; Y22-L25 PolarHBondContact N-O 3.2Å; Y22-L25 WeakPolarHBondContact O-CB 3.46Å; Y22-L25 PolarHBondContact O-N 2.92Å; R23-L25 PolarHBondContact O-N 2.85Å; L25-L27 HydrophobicContact CB-CG 4.47Å; L25-R123 HydrophobicContact CD2-CB 4Å; L25-R123 HydrophobicContact CD2-CG 4.16Å; L25-L125 HydrophobicContact CD1-CD1 4.24Å
26M84.9Confident84.9Confident12 Ų1237.5 Ų37.56%0.05921%0.206CC..EExtended strand (participates in β ladder)trans-107.993.7172.8-17365.262.300108.7K19 H21 I28 L92 W122 R123 K124 L125K19-M26 HydrophobicContact CB-SD 3.86Å; H21-M26 HydrophobicContact CB-CE 4.04Å; H21-M26 HydrophobicContact CB-SD 4.42Å; M26-I28 HydrophobicContact CG-CD1 4.33Å; M26-I28 HydrophobicContact CG-CG1 4.23Å; M26-L92 HydrophobicContact CE-CD1 3.91Å; M26-L92 HydrophobicContact SD-CD1 3.86Å; M26-W122 HydrophobicContact CB-CB 3.73Å; M26-W122 HydrophobicContact CB-CG 4.47Å; M26-W122 HydrophobicContact CE-CB 4.21Å; M26-W122 HydrophobicContact CE-CD2 4.08Å; M26-W122 HydrophobicContact CE-CG 3.73Å; M26-W122 HydrophobicContact CG-CB 4.49Å; M26-R123 PolarHBondContact N-O 3.28Å; M26-K124 HydrophobicContact CB-CG 4.24Å; M26-K124 HydrophobicContact CG-CG 4.27Å; M26-K124 WeakPolarHBondContact O-CA 3.38Å; M26-L125 PolarHBondContact O-N 3.37Å
27L86.1Confident85.3Confident10 Ų1039.1 Ų39.15%0.05221%0.213CC..EExtended strand (participates in β ladder)trans-85.9127.3-179-61.8158.3000108.7K19 A20 L25 M47 C48 L125K19-L27 CarbonylContact C-O 3.54Å; K19-L27 WeakPolarHBondContact CA-O 3.33Å; A20-L27 HydrophobicContact CB-CB 4.27Å; A20-L27 PolarHBondContact N-O 2.92Å; A20-L27 WeakPolarHBondContact O-CB 3.37Å; A20-L27 PolarHBondContact O-N 3.04Å; L25-L27 HydrophobicContact CB-CG 4.47Å; L27-M47 VanDerWaalsContact C-CE 3.4Å; L27-M47 HydrophobicContact CB-CB 4.48Å; L27-M47 HydrophobicContact CB-CE 3.7Å; L27-M47 HydrophobicContact CD1-CB 4.46Å; L27-M47 VanDerWaalsContact O-CE 3.27Å; L27-M47 WeakPolarHBondContact O-CE 3.36Å; L27-C48 HydrophobicContact CD1-CB 4.34Å; L27-L125 CarbonylContact C-O 3.38Å; L27-L125 WeakPolarHBondContact CA-O 3.4Å; L27-L125 HydrophobicContact CD2-CB 4.17Å; L27-L125 HydrophobicContact CD2-CD1 4.22Å
28I88.1Confident85.5Confident7 Ų740.6 Ų40.64%0.03623%0.227CC..EExtended strand (participates in β ladder)trans-124.3130.8-171.4-54.3178.7000109.5K17 V18 K19 M26 K124 L125 Y126 R127K17-I28 HydrophobicContact CD-CG2 3.88Å; K17-I28 HydrophobicContact CG-CG2 3.78Å; V18-I28 WeakPolarHBondContact O-CA 3.48Å; K19-I28 HydrophobicContact CG-CG1 4.31Å; M26-I28 HydrophobicContact CG-CD1 4.33Å; M26-I28 HydrophobicContact CG-CG1 4.23Å; I28-K124 HydrophobicContact CD1-CB 4.21Å; I28-K124 HydrophobicContact CD1-CD 4.47Å; I28-K124 HydrophobicContact CD1-CG 4.14Å; I28-L125 PolarHBondContact N-O 3.15Å; I28-Y126 HydrophobicContact CB-CD1 3.97Å; I28-Y126 HydrophobicContact CB-CE1 4.27Å; I28-Y126 HydrophobicContact CB-CG 4.44Å; I28-Y126 HydrophobicContact CD1-CD1 4.28Å; I28-Y126 HydrophobicContact CD1-CE1 3.76Å; I28-Y126 HydrophobicContact CD1-CE2 4.38Å; I28-Y126 HydrophobicContact CG2-CD1 3.94Å; I28-Y126 HydrophobicContact CG2-CE1 4.08Å; I28-Y126 CarbonylContact O-C 3.53Å; I28-Y126 WeakPolarHBondContact O-CA 3.28Å; I28-R127 PolarHBondContact O-N 3.32Å
29T88.1Confident85.6Confident10 Ų1045.7 Ų45.76%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-136163.7174.2-161.40000109.4K17 V18 L31 E43 M47K17-T29 CarbonylContact C-O 3.1Å; K17-T29 WeakPolarHBondContact CA-O 3.41Å; V18-T29 HydrophobicContact CB-CG2 4Å; V18-T29 PolarHBondContact N-O 3.06Å; V18-T29 PolarHBondContact O-N 2.76Å; T29-L31 HydrophobicContact CG2-CD1 4.25Å; T29-L31 HydrophobicContact CG2-CG 4.09Å; T29-E43 HydrophobicContact CG2-CG 4Å; T29-E43 PolarHBondContact OG1-OE1 2.89Å; T29-M47 HydrophobicContact CG2-CE 3.82Å; T29-M47 HydrophobicContact CG2-SD 3.43Å; T29-M47 WeakPolarHBondContact CG2-SD 3.42Å
30D84.9Confident85.7Confident34 Ų3444.1 Ų44.118%0.18224%0.244CC..EExtended strand (participates in β ladder)trans-117.9123.3172.6-59.5-75.6000108.3W15 R174W15-D30 HydrophobicContact CE3-CB 4.4Å; D30-R174 IonicContact OD1-NH2 2.71Å; D30-R174 PolarHBondContact OD1-NH2 2.95Å; D30-R174 IonicContact OD2-CZ 3.72Å; D30-R174 VanDerWaalsContact OD2-CZ 3.26Å; D30-R174 IonicContact OD2-NE 3.78Å; D30-R174 PolarHBondContact OD2-NE 3.31Å; D30-R174 VanDerWaalsContact OD2-NE 3.1Å; D30-R174 IonicContact OD2-NH2 2.72Å; D30-R174 PolarHBondContact OD2-NH2 2.99Å
31L85.7Confident85.7Confident29 Ų2944.6 Ų44.615%0.15225%0.247CC..EExtended strand (participates in β ladder)trans-118.7160-179.2-68.4172.4000110.6W15 V16 V18 T29 V35 L40 E43W15-L31 CarbonylContact C-O 3.52Å; W15-L31 VanDerWaalsContact CA-O 3.26Å; W15-L31 WeakPolarHBondContact CA-O 3.47Å; V16-L31 PolarHBondContact N-O 3.41Å; V16-L31 PolarHBondContact O-N 3.11Å; V18-L31 HydrophobicContact CG2-CD1 4.03Å; T29-L31 HydrophobicContact CG2-CD1 4.25Å; T29-L31 HydrophobicContact CG2-CG 4.09Å; L31-V35 HydrophobicContact CB-CB 4.46Å; L31-V35 HydrophobicContact CB-CG1 4.31Å; L31-V35 HydrophobicContact CD1-CG2 4.31Å; L31-L40 HydrophobicContact CD1-CD1 3.95Å; L31-E43 HydrophobicContact CD1-CG 4.34Å; L31-E43 HydrophobicContact CD2-CG 4.25Å
32A84.9Confident85.8Confident35 Ų3547.9 Ų47.929%0.28926%0.262SS..EExtended strand (participates in β ladder)trans-66.4144.4171.400000110.5T34 V35A32-T34 PolarHBondContact O-N 2.73Å; A32-T34 VanDerWaalsContact O-N 3.12Å; A32-V35 VanDerWaalsContact O-CB 3.3Å; A32-V35 WeakPolarHBondContact O-CB 3.49Å; A32-V35 VanDerWaalsContact O-CG1 3.31Å; A32-V35 WeakPolarHBondContact O-CG1 3.36Å; A32-V35 PolarHBondContact O-N 2.99Å
33A79.9Confident85.9Confident35 Ų3548.9 Ų48.929%0.28927%0.268SS..THydrogen-bonded Turntrans-62.1-18176.400000113.7E14 V16 V35E14-A33 HydrophobicContact CB-CB 3.94Å; E14-A33 VanDerWaalsContact O-CB 3.28Å; E14-A33 WeakPolarHBondContact O-CB 3.49Å; E14-A33 PolarHBondContact O-N 3.46Å; V16-A33 HydrophobicContact CG2-CB 3.93Å; A33-V35 VanDerWaalsContact C-N 3.31Å
34T84.6Confident86.4Confident130 Ų13039.6 Ų39.680%0.79823%0.233SC*.THydrogen-bonded Turntrans-88.513.5175.462.10000113.8A32A32-T34 PolarHBondContact O-N 2.73Å; A32-T34 VanDerWaalsContact O-N 3.12Å
35V89Confident87.2Confident16 Ų1640.6 Ų40.610%0.09722%0.224CC..  trans-66.3133.4-177.566.80000111.7L31 A32 A33 E39L31-V35 HydrophobicContact CB-CB 4.46Å; L31-V35 HydrophobicContact CB-CG1 4.31Å; L31-V35 HydrophobicContact CD1-CG2 4.31Å; A32-V35 VanDerWaalsContact O-CB 3.3Å; A32-V35 WeakPolarHBondContact O-CB 3.49Å; A32-V35 VanDerWaalsContact O-CG1 3.31Å; A32-V35 WeakPolarHBondContact O-CG1 3.36Å; A32-V35 PolarHBondContact O-N 2.99Å; A33-V35 VanDerWaalsContact C-N 3.31Å; V35-E39 HydrophobicContact CG2-CB 3.6Å
36S92.1Very high87.6Confident33 Ų3340.8 Ų40.823%0.23123%0.228CC..  trans-77.3157.7174.869.40000112.2V38 E39 L40 Q73S36-V38 PolarHBondContact O-N 2.97Å; S36-E39 VanDerWaalsContact CB-OE2 3.24Å; S36-E39 WeakPolarHBondContact CB-OE2 3.15Å; S36-E39 PolarHBondContact N-OE2 3.44Å; S36-E39 PolarHBondContact O-N 3.33Å; S36-E39 VanDerWaalsContact OG-CD 3.31Å; S36-E39 WeakPolarHBondContact OG-CG 3.26Å; S36-E39 PolarHBondContact OG-N 3.23Å; S36-E39 PolarHBondContact OG-OE2 2.81Å; S36-L40 WeakPolarHBondContact O-CB 3.44Å; S36-L40 PolarHBondContact O-N 3.09Å; S36-Q73 VanDerWaalsContact CA-OE1 3.3Å
37F90.4Very high87.6Confident40 Ų4040.4 Ų40.418%0.17523%0.226CC..Hα-helixtrans-58.3-30.6174.6177.1-106.6000112.8C41 L58 I70 S71 L76F37-C41 VanDerWaalsContact CE2-SG 3.6Å; F37-C41 WeakPolarHBondContact CZ-SG 3.47Å; F37-C41 WeakPolarHBondContact O-CB 3.36Å; F37-C41 PolarHBondContact O-N 3.26Å; F37-C41 PolarHBondContact O-SG 3.43Å; F37-L58 HydrophobicContact CE2-CD1 4.3Å; F37-I70 HydrophobicContact CD2-CG2 3.85Å; F37-I70 HydrophobicContact CE2-CB 4.46Å; F37-I70 HydrophobicContact CE2-CG2 3.78Å; F37-I70 WeakPolarHBondContact CE2-O 3.23Å; F37-S71 VanDerWaalsContact CE1-C 3.49Å; F37-S71 WeakPolarHBondContact CE1-O 3.31Å; F37-S71 WeakPolarHBondContact CZ-O 3.4Å; F37-L76 HydrophobicContact CB-CD2 4.1Å
38V90Very high87.6Confident99 Ų9940.2 Ų40.260%0.623%0.226SC*.Hα-helixtrans-68.2-49.6175.5-178.50000110.7S36 L40 C41 E42S36-V38 PolarHBondContact O-N 2.97Å; V38-L40 PolarHBondContact O-N 3.4Å; V38-C41 PolarHBondContact O-N 2.74Å; V38-E42 PolarHBondContact O-N 2.76Å
39E89.3Confident87.4Confident108 Ų10845 Ų4551%0.50526%0.26SS..Hα-helixtrans-63.7-40.5178.2-69.4161.3126.700111.7V35 S36 C41 E42 E43V35-E39 HydrophobicContact CG2-CB 3.6Å; S36-E39 VanDerWaalsContact CB-OE2 3.24Å; S36-E39 WeakPolarHBondContact CB-OE2 3.15Å; S36-E39 PolarHBondContact N-OE2 3.44Å; S36-E39 PolarHBondContact O-N 3.33Å; S36-E39 VanDerWaalsContact OG-CD 3.31Å; S36-E39 WeakPolarHBondContact OG-CG 3.26Å; S36-E39 PolarHBondContact OG-N 3.23Å; S36-E39 PolarHBondContact OG-OE2 2.81Å; E39-C41 VanDerWaalsContact C-N 3.35Å; E39-C41 PolarHBondContact O-N 2.87Å; E39-E42 PolarHBondContact O-N 3.18Å; E39-E43 PolarHBondContact O-N 3.03Å
40L90.7Very high87.3Confident0 Ų045 Ų450%026%0.26CS..Hα-helixtrans-58.8-45.8172178.666.1000111.2V18 L31 S36 V38 E42 E43 V44 L58 L76 L93V18-L40 HydrophobicContact CG1-CD1 4.14Å; V18-L40 HydrophobicContact CG2-CD1 4.15Å; L31-L40 HydrophobicContact CD1-CD1 3.95Å; S36-L40 WeakPolarHBondContact O-CB 3.44Å; S36-L40 PolarHBondContact O-N 3.09Å; V38-L40 PolarHBondContact O-N 3.4Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-E42 PolarHBondContact O-N 2.85Å; L40-E43 PolarHBondContact O-N 2.85Å; L40-V44 HydrophobicContact CD1-CG2 3.87Å; L40-V44 HydrophobicContact CG-CG2 4.31Å; L40-V44 WeakPolarHBondContact O-CB 3.49Å; L40-V44 VanDerWaalsContact O-CG2 3.24Å; L40-V44 WeakPolarHBondContact O-CG2 3.37Å; L40-V44 PolarHBondContact O-N 2.99Å; L40-L58 HydrophobicContact CD2-CD1 4.16Å; L40-L58 HydrophobicContact CG-CD1 4.26Å; L40-L76 HydrophobicContact CB-CD2 4.31Å; L40-L76 HydrophobicContact CD2-CD1 3.56Å; L40-L76 HydrophobicContact CD2-CD2 3.8Å; L40-L76 HydrophobicContact CD2-CG 4.31Å; L40-L93 HydrophobicContact CD1-CD1 4.13Å; L40-L93 HydrophobicContact CD2-CD1 4.19Å; L40-L93 HydrophobicContact CG-CD1 4.49Å
41C89.8Confident87.2Confident9 Ų946.2 Ų46.26%0.06127%0.274CS..Hα-helixtrans-68.2-29.9177.5-720000113.1F37 V38 E39 R45F37-C41 VanDerWaalsContact CE2-SG 3.6Å; F37-C41 WeakPolarHBondContact CZ-SG 3.47Å; F37-C41 WeakPolarHBondContact O-CB 3.36Å; F37-C41 PolarHBondContact O-N 3.26Å; F37-C41 PolarHBondContact O-SG 3.43Å; V38-C41 PolarHBondContact O-N 2.74Å; E39-C41 VanDerWaalsContact C-N 3.35Å; E39-C41 PolarHBondContact O-N 2.87Å; C41-R45 WeakPolarHBondContact O-CB 3.41Å; C41-R45 WeakPolarHBondContact O-CG 3.38Å; C41-R45 PolarHBondContact O-N 2.84Å; C41-R45 PolarHBondContact O-NH1 2.82Å
42E89Confident87Confident90 Ų9052.2 Ų52.242%0.42130%0.299SS..Hα-helixtrans-73.1-45.6173.4-72.7-144.3119.700112V38 E39 L40 T46 K52V38-E42 PolarHBondContact O-N 2.76Å; E39-E42 PolarHBondContact O-N 3.18Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-E42 PolarHBondContact O-N 2.85Å; E42-T46 WeakPolarHBondContact O-CB 3.45Å; E42-T46 PolarHBondContact O-N 2.87Å; E42-T46 PolarHBondContact O-OG1 2.77Å; E42-K52 IonicContact OE1-NZ 2.69Å; E42-K52 PolarHBondContact OE1-NZ 3.21Å
43E88.8Confident86.7Confident39 Ų3960 Ų6018%0.18233%0.329CS..Hα-helixtrans-65.6-44.1175.7173.164.617100111.2T29 L31 E39 L40 R45 T46 M47 R127T29-E43 HydrophobicContact CG2-CG 4Å; T29-E43 PolarHBondContact OG1-OE1 2.89Å; L31-E43 HydrophobicContact CD1-CG 4.34Å; L31-E43 HydrophobicContact CD2-CG 4.25Å; E39-E43 PolarHBondContact O-N 3.03Å; L40-E43 PolarHBondContact O-N 2.85Å; E43-R45 PolarHBondContact O-N 2.95Å; E43-T46 CarbonylContact O-C 3.48Å; E43-T46 WeakPolarHBondContact O-CA 3.28Å; E43-T46 WeakPolarHBondContact O-CB 3.32Å; E43-T46 PolarHBondContact O-N 2.85Å; E43-M47 HydrophobicContact CG-CG 4.12Å; E43-M47 HydrophobicContact CG-SD 3.87Å; E43-M47 WeakPolarHBondContact O-CB 3.44Å; E43-M47 VanDerWaalsContact O-CG 3.26Å; E43-M47 WeakPolarHBondContact O-CG 3.2Å; E43-M47 PolarHBondContact O-N 3.05Å; E43-R127 WeakPolarHBondContact OE1-CD 3.41Å; E43-R127 IonicContact OE1-NE 2.67Å; E43-R127 IonicContact OE2-NE 3.5Å
44V88.9Confident86.9Confident0 Ų061.8 Ų61.80%033%0.332CS..Hα-helixtrans-66.3-39.5179.7177.50000111.9V18 A20 L40 T46 M47 C48 I56 L58 L93 V95V18-V44 HydrophobicContact CG1-CG2 4.48Å; A20-V44 HydrophobicContact CB-CG1 4.13Å; L40-V44 HydrophobicContact CD1-CG2 3.87Å; L40-V44 HydrophobicContact CG-CG2 4.31Å; L40-V44 WeakPolarHBondContact O-CB 3.49Å; L40-V44 VanDerWaalsContact O-CG2 3.24Å; L40-V44 WeakPolarHBondContact O-CG2 3.37Å; L40-V44 PolarHBondContact O-N 2.99Å; V44-T46 VanDerWaalsContact C-N 3.26Å; V44-T46 PolarHBondContact O-N 2.85Å; V44-M47 HydrophobicContact CG2-SD 4.48Å; V44-M47 PolarHBondContact O-N 3.38Å; V44-C48 VanDerWaalsContact O-CB 3.3Å; V44-C48 WeakPolarHBondContact O-CB 3.12Å; V44-C48 PolarHBondContact O-N 2.85Å; V44-C48 PolarHBondContact O-SG 3.05Å; V44-I56 HydrophobicContact CG1-CD1 4.06Å; V44-L58 HydrophobicContact CB-CD2 4.33Å; V44-L58 HydrophobicContact CG1-CD2 3.73Å; V44-L93 HydrophobicContact CG2-CD1 4.36Å; V44-V95 HydrophobicContact CG1-CB 4.5Å; V44-V95 HydrophobicContact CG1-CG1 4.07Å; V44-V95 HydrophobicContact CG1-CG2 3.57Å
45R88.4Confident86.9Confident60 Ų6059 Ų5923%0.22632%0.316CS..Hα-helixtrans-57.4-43.5169-78.9-178.8-169.6101.4-7.1111.3C41 E43 C48 S49 V50 I56C41-R45 WeakPolarHBondContact O-CB 3.41Å; C41-R45 WeakPolarHBondContact O-CG 3.38Å; C41-R45 PolarHBondContact O-N 2.84Å; C41-R45 PolarHBondContact O-NH1 2.82Å; E43-R45 PolarHBondContact O-N 2.95Å; R45-C48 PolarHBondContact O-N 2.88Å; R45-S49 WeakPolarHBondContact O-CA 3.26Å; R45-S49 PolarHBondContact O-N 3.21Å; R45-V50 HydrophobicContact CB-CB 4.37Å; R45-V50 HydrophobicContact CG-CB 4.26Å; R45-V50 HydrophobicContact CG-CG1 4.3Å; R45-V50 PolarHBondContact O-N 3.44Å; R45-I56 HydrophobicContact CG-CD1 3.73Å; R45-I56 HydrophobicContact CG-CG2 4.25Å
46T85.3Confident87Confident61 Ų6159.4 Ų59.437%0.37432%0.317SS..Hα-helixtrans-72-29.9-176.7-65.30000113.2E42 E43 V44 R127E42-T46 WeakPolarHBondContact O-CB 3.45Å; E42-T46 PolarHBondContact O-N 2.87Å; E42-T46 PolarHBondContact O-OG1 2.77Å; E43-T46 CarbonylContact O-C 3.48Å; E43-T46 WeakPolarHBondContact O-CA 3.28Å; E43-T46 WeakPolarHBondContact O-CB 3.32Å; E43-T46 PolarHBondContact O-N 2.85Å; V44-T46 VanDerWaalsContact C-N 3.26Å; V44-T46 PolarHBondContact O-N 2.85Å; T46-R127 PolarHBondContact O-NH1 3.06Å
47M85.4Confident86.9Confident4 Ų458.4 Ų58.42%0.0231%0.31CS..Hα-helixtrans-70.5-46.3169-71.8168.775.200111.5A20 L27 T29 E43 V44 S49A20-M47 HydrophobicContact CB-CE 4.05Å; L27-M47 VanDerWaalsContact C-CE 3.4Å; L27-M47 HydrophobicContact CB-CB 4.48Å; L27-M47 HydrophobicContact CB-CE 3.7Å; L27-M47 HydrophobicContact CD1-CB 4.46Å; L27-M47 VanDerWaalsContact O-CE 3.27Å; L27-M47 WeakPolarHBondContact O-CE 3.36Å; T29-M47 HydrophobicContact CG2-CE 3.82Å; T29-M47 HydrophobicContact CG2-SD 3.43Å; T29-M47 WeakPolarHBondContact CG2-SD 3.42Å; E43-M47 HydrophobicContact CG-CG 4.12Å; E43-M47 HydrophobicContact CG-SD 3.87Å; E43-M47 WeakPolarHBondContact O-CB 3.44Å; E43-M47 VanDerWaalsContact O-CG 3.26Å; E43-M47 WeakPolarHBondContact O-CG 3.2Å; E43-M47 PolarHBondContact O-N 3.05Å; V44-M47 HydrophobicContact CG2-SD 4.48Å; V44-M47 PolarHBondContact O-N 3.38Å; M47-S49 VanDerWaalsContact C-N 3.32Å
48C85.8Confident86.9Confident6 Ų656.6 Ų56.64%0.04130%0.302CS..Hα-helixtrans-86.1-0.2-173.7-58.10000113.7Y22 L27 V44 R45 V50Y22-C48 HydrophobicContact CD1-CB 3.63Å; Y22-C48 HydrophobicContact CD2-CB 4.24Å; Y22-C48 HydrophobicContact CE1-CB 3.86Å; Y22-C48 WeakPolarHBondContact CE1-O 3.37Å; Y22-C48 HydrophobicContact CE2-CB 4.47Å; Y22-C48 HydrophobicContact CG-CB 3.82Å; L27-C48 HydrophobicContact CD1-CB 4.34Å; V44-C48 VanDerWaalsContact O-CB 3.3Å; V44-C48 WeakPolarHBondContact O-CB 3.12Å; V44-C48 PolarHBondContact O-N 2.85Å; V44-C48 PolarHBondContact O-SG 3.05Å; R45-C48 PolarHBondContact O-N 2.88Å; C48-V50 HydrophobicContact CB-CG2 3.81Å; C48-V50 PolarHBondContact O-N 3.45Å
49S85Confident86.8Confident108 Ų10852.5 Ų52.576%0.75528%0.276SS*.THydrogen-bonded Turntrans52.537.9-173-58.40000113.5R45 M47R45-S49 WeakPolarHBondContact O-CA 3.26Å; R45-S49 PolarHBondContact O-N 3.21Å; M47-S49 VanDerWaalsContact C-N 3.32Å
50V85.3Confident86.7Confident10 Ų1048.6 Ų48.66%0.06126%0.257CS..  trans-84.8133.1176.1175.30000109Y22 R45 C48 Q54 P97Y22-V50 HydrophobicContact CE2-CG2 4.15Å; R45-V50 HydrophobicContact CB-CB 4.37Å; R45-V50 HydrophobicContact CG-CB 4.26Å; R45-V50 HydrophobicContact CG-CG1 4.3Å; R45-V50 PolarHBondContact O-N 3.44Å; C48-V50 HydrophobicContact CB-CG2 3.81Å; C48-V50 PolarHBondContact O-N 3.45Å; V50-Q54 HydrophobicContact CG1-CB 3.88Å; V50-Q54 HydrophobicContact CG1-CG 4.12Å; V50-P97 HydrophobicContact CG2-CB 4.22Å
51A84Confident86.1Confident58 Ų5849.7 Ų49.748%0.47926%0.262SS..  trans-63.3143.5-177.700000111.8Q53 Q54A51-Q53 PolarHBondContact O-N 3.23Å; A51-Q54 HydrophobicContact CB-CB 4.31Å; A51-Q54 WeakPolarHBondContact O-CB 3.32Å; A51-Q54 PolarHBondContact O-N 3.47Å
52K79.7Confident85.2Confident156 Ų15651 Ų5168%0.67827%0.269SS*.THydrogen-bonded Turntrans-57.3-27.2-177-73.9-155.6173.3-142.70114.5E42E42-K52 IonicContact OE1-NZ 2.69Å; E42-K52 PolarHBondContact OE1-NZ 3.21Å
53Q79.9Confident84.1Confident198 Ų19850.5 Ų50.593%0.92527%0.269SS*.THydrogen-bonded Turntrans-88.5-9.8178.3-66.1179-8.400113.8A51A51-Q53 PolarHBondContact O-N 3.23Å
54Q83.8Confident82.8Confident73 Ų7357.3 Ų57.334%0.34130%0.301SS..SBendtrans-82.4134.5-179.5-171.51679.200110V50 A51 P97V50-Q54 HydrophobicContact CG1-CB 3.88Å; V50-Q54 HydrophobicContact CG1-CG 4.12Å; A51-Q54 HydrophobicContact CB-CB 4.31Å; A51-Q54 WeakPolarHBondContact O-CB 3.32Å; A51-Q54 PolarHBondContact O-N 3.47Å; Q54-P97 PolarHBondContact NE2-O 2.88Å
55P85.1Confident81.7Confident70 Ų7058.6 Ų58.646%0.45531%0.314SS..  trans-60.6150.1171.825.4-34.4000110.7P97 S98 A99P55-P97 CarbonylContact O-C 3.55Å; P55-S98 PolarHBondContact O-N 3.32Å; P55-A99 HydrophobicContact CB-CB 4.35Å
56I89.7Confident80.9Confident25 Ų2560.5 Ų60.513%0.12833%0.328CS..  trans-137.1128.3178-169.1170000108.3V44 R45 L58 V95 F96V44-I56 HydrophobicContact CG1-CD1 4.06Å; R45-I56 HydrophobicContact CG-CD1 3.73Å; R45-I56 HydrophobicContact CG-CG2 4.25Å; I56-L58 HydrophobicContact CD1-CD2 4.1Å; I56-L58 HydrophobicContact CG1-CD2 4.08Å; I56-V95 HydrophobicContact CD1-CG1 3.7Å; I56-V95 HydrophobicContact CG1-CG1 3.81Å; I56-F96 WeakPolarHBondContact CA-O 3.16Å
57T90Very high80.6Confident13 Ų1359.4 Ų59.48%0.0832%0.323CS..EExtended strand (participates in β ladder)trans-110.1128.1171.5-54.10000108.2K59 T69 F96 S98T57-K59 HydrophobicContact CG2-CG 4.26Å; T57-T69 HydrophobicContact CG2-CG2 3.71Å; T57-F96 PolarHBondContact N-O 2.82Å; T57-F96 PolarHBondContact O-N 2.62Å; T57-S98 WeakPolarHBondContact CB-O 3.33Å; T57-S98 PolarHBondContact N-O 3.38Å; T57-S98 PolarHBondContact OG1-O 2.86Å
58L91.4Very high80.4Confident2 Ų261.5 Ų61.51%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-104.8119.8176.2-55.9-179.1000107.9F37 L40 V44 I56 T69 I70 L93 V95F37-L58 HydrophobicContact CE2-CD1 4.3Å; L40-L58 HydrophobicContact CD2-CD1 4.16Å; L40-L58 HydrophobicContact CG-CD1 4.26Å; V44-L58 HydrophobicContact CB-CD2 4.33Å; V44-L58 HydrophobicContact CG1-CD2 3.73Å; I56-L58 HydrophobicContact CD1-CD2 4.1Å; I56-L58 HydrophobicContact CG1-CD2 4.08Å; L58-T69 WeakPolarHBondContact O-CA 3.42Å; L58-I70 PolarHBondContact O-N 2.84Å; L58-L93 HydrophobicContact CD1-CD1 4.44Å; L58-V95 HydrophobicContact CD2-CG1 4.29Å; L58-V95 HydrophobicContact CD2-CG2 4.02Å
59K88.1Confident80.5Confident13 Ų1363.9 Ų63.96%0.05735%0.351CS..EExtended strand (participates in β ladder)trans-115.5125.9175.8-76.6-176162.2-173.70111.5T57 P67 C68 T69 L93 H94 F96 E110 Y115T57-K59 HydrophobicContact CG2-CG 4.26Å; K59-P67 HydrophobicContact CD-CB 4.34Å; K59-C68 CarbonylContact C-O 3.55Å; K59-C68 VanDerWaalsContact CA-O 3.29Å; K59-C68 WeakPolarHBondContact CA-O 3.48Å; K59-T69 WeakPolarHBondContact CE-OG1 3.29Å; K59-L93 CarbonylContact O-C 3.6Å; K59-L93 WeakPolarHBondContact O-CA 3.43Å; K59-H94 HydrophobicContact CB-CB 4.47Å; K59-H94 PolarHBondContact N-O 3.09Å; K59-H94 PolarHBondContact O-N 3.2Å; K59-F96 HydrophobicContact CB-CE2 4.3Å; K59-F96 HydrophobicContact CD-CD2 4.46Å; K59-F96 HydrophobicContact CD-CE2 4.14Å; K59-E110 WeakPolarHBondContact CD-OE1 3.27Å; K59-E110 IonicContact NZ-OE1 3.26Å; K59-E110 PolarHBondContact NZ-OE1 3.03Å; K59-E110 IonicContact NZ-OE2 2.96Å; K59-E110 PolarHBondContact NZ-OE2 2.73Å; K59-Y115 VanDerWaalsContact CD-OH 3.24Å; K59-Y115 WeakPolarHBondContact CD-OH 3.42Å
60W86.4Confident80.7Confident25 Ų2559 Ų5910%0.09532%0.317CS..EExtended strand (participates in β ladder)trans-101.3160.1172.9170.268.8000109.1D62 P67 C68 I70 A79 I82 L91 L93W60-D62 HydrophobicContact CE3-CB 4.47Å; W60-D62 HydrophobicContact CH2-CB 3.97Å; W60-D62 HydrophobicContact CZ3-CB 3.79Å; W60-P67 CarbonylContact O-C 3.43Å; W60-P67 WeakPolarHBondContact O-CA 3.44Å; W60-C68 HydrophobicContact CE3-CB 4.19Å; W60-C68 PolarHBondContact N-O 2.74Å; W60-C68 PolarHBondContact O-N 2.81Å; W60-I70 HydrophobicContact CB-CD1 3.96Å; W60-I70 HydrophobicContact CB-CG1 4.25Å; W60-A79 HydrophobicContact CD2-CB 4.2Å; W60-A79 HydrophobicContact CE3-CB 4.25Å; W60-I82 HydrophobicContact CH2-CB 3.97Å; W60-I82 HydrophobicContact CH2-CD1 3.67Å; W60-I82 HydrophobicContact CH2-CG1 4.44Å; W60-I82 HydrophobicContact CH2-CG2 3.73Å; W60-I82 HydrophobicContact CZ2-CB 4.18Å; W60-I82 HydrophobicContact CZ2-CG2 3.84Å; W60-I82 HydrophobicContact CZ3-CD1 4.14Å; W60-L91 HydrophobicContact CG-CD1 4.34Å; W60-L93 HydrophobicContact CB-CD2 4.19Å
61I77.8Confident80.8Confident24 Ų2462.1 Ų62.112%0.12334%0.339CS..EExtended strand (participates in β ladder)trans-108.8123.4176-63.8-53.6000108.7P67 Y115I61-P67 HydrophobicContact CD1-CB 3.81Å; I61-Y115 HydrophobicContact CD1-CD1 3.52Å; I61-Y115 HydrophobicContact CD1-CE1 4.08Å; I61-Y115 HydrophobicContact CD1-CG 3.78Å; I61-Y115 HydrophobicContact CG1-CD1 4.16Å
62D71.5Confident81Confident37 Ų3761.2 Ų61.220%0.19833%0.329CS..  trans-74.5-179.2179.165.526.9000113.6W60 E64 G65 D66 R117W60-D62 HydrophobicContact CE3-CB 4.47Å; W60-D62 HydrophobicContact CH2-CB 3.97Å; W60-D62 HydrophobicContact CZ3-CB 3.79Å; D62-E64 VanDerWaalsContact C-N 3.27Å; D62-E64 PolarHBondContact O-N 2.95Å; D62-E64 PolarHBondContact OD1-N 2.86Å; D62-G65 PolarHBondContact O-N 3.42Å; D62-G65 PolarHBondContact OD1-N 2.93Å; D62-D66 PolarHBondContact N-O 3.08Å; D62-D66 PolarHBondContact OD1-N 2.91Å; D62-R117 PolarHBondContact O-NH2 2.9Å
63D66.2Low81.6Confident78 Ų7857.1 Ų57.142%0.41731%0.312SS..SBendtrans-62.6-33.7179.9-71.3-27.5000111.3R85 R117D63-R85 IonicContact OD2-CZ 3.21Å; D63-R85 IonicContact OD2-NH2 2.66Å; D63-R85 PolarHBondContact OD2-NH2 2.89Å; D63-R117 VanDerWaalsContact C-NH2 3.34Å; D63-R117 PolarHBondContact O-NH1 3.32Å; D63-R117 PolarHBondContact O-NH2 2.84Å
64E61.8Low81.9Confident183 Ų18354.6 Ų54.686%0.85530%0.302SS*.SBendtrans-78.4-32.3-178.3-61.4-171.4-167.200112.5D62D62-E64 VanDerWaalsContact C-N 3.27Å; D62-E64 PolarHBondContact O-N 2.95Å; D62-E64 PolarHBondContact OD1-N 2.86Å
65G64.4Low82.1Confident26 Ų2654.5 Ų54.527%0.26830%0.302SS..SBendtrans124.73.7174.100000115.2D62D62-G65 PolarHBondContact O-N 3.42Å; D62-G65 PolarHBondContact OD1-N 2.93Å
66D72.9Confident82.2Confident100 Ų10051.2 Ų51.254%0.53528%0.28SS..  trans-93.2153.3-174.5-90.8-43.3000113.1D62 C68D62-D66 PolarHBondContact N-O 3.08Å; D62-D66 PolarHBondContact OD1-N 2.91Å; D66-C68 PolarHBondContact O-N 2.91Å
67P78.1Confident82.1Confident39 Ų3955.1 Ų55.125%0.25330%0.298SS..EExtended strand (participates in β ladder)trans-8992.5-172.934.5-35.7000113.8K59 W60 I61 Y115K59-P67 HydrophobicContact CD-CB 4.34Å; W60-P67 CarbonylContact O-C 3.43Å; W60-P67 WeakPolarHBondContact O-CA 3.44Å; I61-P67 HydrophobicContact CD1-CB 3.81Å; P67-Y115 HydrophobicContact CB-CD1 4.48Å; P67-Y115 HydrophobicContact CB-CD2 4.04Å; P67-Y115 HydrophobicContact CB-CE1 4.03Å; P67-Y115 HydrophobicContact CB-CE2 3.56Å; P67-Y115 HydrophobicContact CB-CG 4.46Å; P67-Y115 HydrophobicContact CG-CD2 4.12Å; P67-Y115 HydrophobicContact CG-CE2 3.71Å
68C81.8Confident81.8Confident48 Ų4858.4 Ų58.432%0.32431%0.313SS..EExtended strand (participates in β ladder)trans-73.7130.6172.9-510000111.9K59 W60 D66K59-C68 CarbonylContact C-O 3.55Å; K59-C68 VanDerWaalsContact CA-O 3.29Å; K59-C68 WeakPolarHBondContact CA-O 3.48Å; W60-C68 HydrophobicContact CE3-CB 4.19Å; W60-C68 PolarHBondContact N-O 2.74Å; W60-C68 PolarHBondContact O-N 2.81Å; D66-C68 PolarHBondContact O-N 2.91Å
69T87.5Confident81.4Confident55 Ų5558.4 Ų58.434%0.33731%0.313SS..EExtended strand (participates in β ladder)trans-76.5133.3168.2-57.30000110.5T57 L58 K59T57-T69 HydrophobicContact CG2-CG2 3.71Å; L58-T69 WeakPolarHBondContact O-CA 3.42Å; K59-T69 WeakPolarHBondContact CE-OG1 3.29Å
70I88.3Confident81.1Confident6 Ų658.7 Ų58.73%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-95.6112164.7-53.9-178.2000107.5F37 L58 W60 E75 L76 A79 L93F37-I70 HydrophobicContact CD2-CG2 3.85Å; F37-I70 HydrophobicContact CE2-CB 4.46Å; F37-I70 HydrophobicContact CE2-CG2 3.78Å; F37-I70 WeakPolarHBondContact CE2-O 3.23Å; L58-I70 PolarHBondContact O-N 2.84Å; W60-I70 HydrophobicContact CB-CD1 3.96Å; W60-I70 HydrophobicContact CB-CG1 4.25Å; I70-E75 HydrophobicContact CG2-CB 4.14Å; I70-L76 HydrophobicContact CG2-CB 3.91Å; I70-A79 HydrophobicContact CD1-CB 3.74Å; I70-L93 HydrophobicContact CD1-CD2 3.8Å
71S87.8Confident80.9Confident76 Ų7663.4 Ų63.453%0.53133%0.333SS..  trans-121-8.9-176.776.60000114F37 E75F37-S71 VanDerWaalsContact CE1-C 3.49Å; F37-S71 WeakPolarHBondContact CE1-O 3.31Å; F37-S71 WeakPolarHBondContact CZ-O 3.4Å; S71-E75 VanDerWaalsContact CA-OE2 3.3Å; S71-E75 WeakPolarHBondContact CA-OE2 3.37Å; S71-E75 WeakPolarHBondContact CB-OE2 3.33Å; S71-E75 PolarHBondContact N-OE2 2.81Å; S71-E75 PolarHBondContact OG-OE1 3.24Å; S71-E75 PolarHBondContact OG-OE2 3.29Å
72S89.7Confident80.7Confident38 Ų3863.2 Ų63.227%0.26633%0.332SS..SBendtrans-146.4165.5-171.467.90000112.8M74 E75 L76S72-M74 VanDerWaalsContact C-N 3.31Å; S72-M74 PolarHBondContact O-N 2.81Å; S72-E75 WeakPolarHBondContact CB-OE2 3.16Å; S72-E75 PolarHBondContact N-OE2 3.49Å; S72-E75 PolarHBondContact O-N 2.87Å; S72-E75 VanDerWaalsContact OG-CD 3.22Å; S72-E75 WeakPolarHBondContact OG-CG 3.33Å; S72-E75 PolarHBondContact OG-N 2.81Å; S72-E75 PolarHBondContact OG-OE2 3.45Å; S72-L76 PolarHBondContact O-N 2.95Å; S72-L76 VanDerWaalsContact O-N 3.12Å
73Q90.5Very high80.7Confident70 Ų7063.4 Ų63.433%0.32733%0.33SS..Hα-helixtrans-58.5-41.1174.8-176.462.228.500112.4S36 L76 E77S36-Q73 VanDerWaalsContact CA-OE1 3.3Å; Q73-L76 PolarHBondContact O-N 2.91Å; Q73-E77 VanDerWaalsContact CG-OE1 3.29Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.38Å; Q73-E77 PolarHBondContact NE2-OE1 2.84Å; Q73-E77 WeakPolarHBondContact O-CG 3.37Å; Q73-E77 PolarHBondContact O-N 3.33Å
74M86.6Confident80.8Confident145 Ų14563.3 Ų63.371%0.71434%0.335SS*.Hα-helixtrans-68-39.1-177.9-173.4179.870.900112.3S72 L76 E77 E78S72-M74 VanDerWaalsContact C-N 3.31Å; S72-M74 PolarHBondContact O-N 2.81Å; M74-L76 VanDerWaalsContact C-N 3.35Å; M74-E77 PolarHBondContact O-N 3.05Å; M74-E78 WeakPolarHBondContact O-CB 3.37Å; M74-E78 PolarHBondContact O-N 3.23Å
75E87.9Confident81Confident71 Ų7161.7 Ų61.733%0.33232%0.321SS..Hα-helixtrans-69.3-33.8174.9-68.2158.6147.900111.7I70 S71 S72 A79I70-E75 HydrophobicContact CG2-CB 4.14Å; S71-E75 VanDerWaalsContact CA-OE2 3.3Å; S71-E75 WeakPolarHBondContact CA-OE2 3.37Å; S71-E75 WeakPolarHBondContact CB-OE2 3.33Å; S71-E75 PolarHBondContact N-OE2 2.81Å; S71-E75 PolarHBondContact OG-OE1 3.24Å; S71-E75 PolarHBondContact OG-OE2 3.29Å; S72-E75 WeakPolarHBondContact CB-OE2 3.16Å; S72-E75 PolarHBondContact N-OE2 3.49Å; S72-E75 PolarHBondContact O-N 2.87Å; S72-E75 VanDerWaalsContact OG-CD 3.22Å; S72-E75 WeakPolarHBondContact OG-CG 3.33Å; S72-E75 PolarHBondContact OG-N 2.81Å; S72-E75 PolarHBondContact OG-OE2 3.45Å; E75-A79 VanDerWaalsContact O-CB 3.32Å; E75-A79 WeakPolarHBondContact O-CB 3.35Å; E75-A79 PolarHBondContact O-N 2.69Å
76L88.6Confident80.7Confident1 Ų162.4 Ų62.41%0.00532%0.323CS..Hα-helixtrans-66.8-47.9172.8176.657.8000111.1F37 L40 I70 S72 Q73 M74 E78 A79 L80 L91F37-L76 HydrophobicContact CB-CD2 4.1Å; L40-L76 HydrophobicContact CB-CD2 4.31Å; L40-L76 HydrophobicContact CD2-CD1 3.56Å; L40-L76 HydrophobicContact CD2-CD2 3.8Å; L40-L76 HydrophobicContact CD2-CG 4.31Å; I70-L76 HydrophobicContact CG2-CB 3.91Å; S72-L76 PolarHBondContact O-N 2.95Å; S72-L76 VanDerWaalsContact O-N 3.12Å; Q73-L76 PolarHBondContact O-N 2.91Å; M74-L76 VanDerWaalsContact C-N 3.35Å; L76-E78 VanDerWaalsContact C-N 3.28Å; L76-E78 PolarHBondContact O-N 2.71Å; L76-A79 PolarHBondContact O-N 3.08Å; L76-L80 HydrophobicContact CD1-CD1 4.11Å; L76-L80 HydrophobicContact CD1-CD2 4.49Å; L76-L80 HydrophobicContact CD1-CG 3.98Å; L76-L80 HydrophobicContact CG-CD1 4.07Å; L76-L80 HydrophobicContact CG-CG 4.36Å; L76-L80 WeakPolarHBondContact O-CB 3.38Å; L76-L80 VanDerWaalsContact O-CG 3.24Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 2.67Å; L76-L91 HydrophobicContact CD1-CD2 4.3Å
77E87.1Confident79.9Confident107 Ų10763.7 Ų63.750%0.532%0.323SS..Hα-helixtrans-58.7-39.9176.9-75.7168.2-171.200111.8Q73 M74 L80 R81Q73-E77 VanDerWaalsContact CG-OE1 3.29Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.38Å; Q73-E77 PolarHBondContact NE2-OE1 2.84Å; Q73-E77 WeakPolarHBondContact O-CG 3.37Å; Q73-E77 PolarHBondContact O-N 3.33Å; M74-E77 PolarHBondContact O-N 3.05Å; E77-L80 PolarHBondContact O-N 3.19Å; E77-R81 VanDerWaalsContact O-CB 3.29Å; E77-R81 WeakPolarHBondContact O-CB 3.43Å; E77-R81 PolarHBondContact O-N 3.49Å
78E83.9Confident78.9Confident83 Ų8365.2 Ų65.239%0.38833%0.332SS..Hα-helixtrans-68.5-44.2175.1-178.761.6-176.100112.5M74 L76 L80 R81 I82M74-E78 WeakPolarHBondContact O-CB 3.37Å; M74-E78 PolarHBondContact O-N 3.23Å; L76-E78 VanDerWaalsContact C-N 3.28Å; L76-E78 PolarHBondContact O-N 2.71Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.29Å; E78-R81 VanDerWaalsContact CD-NH2 3.31Å; E78-R81 PolarHBondContact O-N 3.04Å; E78-R81 VanDerWaalsContact O-N 3.16Å; E78-R81 IonicContact OE1-CZ 2.66Å; E78-R81 IonicContact OE1-NE 2.69Å; E78-R81 IonicContact OE1-NH2 2.71Å; E78-R81 PolarHBondContact OE1-NH2 3.49Å; E78-R81 IonicContact OE2-CZ 3.24Å; E78-R81 IonicContact OE2-NE 3.17Å; E78-R81 PolarHBondContact OE2-NE 3.45Å; E78-R81 IonicContact OE2-NH2 2.68Å; E78-R81 PolarHBondContact OE2-NH2 3.27Å; E78-I82 HydrophobicContact CG-CD1 4.01Å; E78-I82 WeakPolarHBondContact O-CG1 3.49Å; E78-I82 PolarHBondContact O-N 2.98Å
79A82.6Confident77.8Confident2 Ų267.3 Ų67.32%0.01735%0.347CS..Hα-helixtrans-62.2-37175.200000112.2W60 I70 E75 L76 Y83 L91W60-A79 HydrophobicContact CD2-CB 4.2Å; W60-A79 HydrophobicContact CE3-CB 4.25Å; I70-A79 HydrophobicContact CD1-CB 3.74Å; E75-A79 VanDerWaalsContact O-CB 3.32Å; E75-A79 WeakPolarHBondContact O-CB 3.35Å; E75-A79 PolarHBondContact O-N 2.69Å; L76-A79 PolarHBondContact O-N 3.08Å; A79-Y83 VanDerWaalsContact O-CB 3.26Å; A79-Y83 WeakPolarHBondContact O-CB 3.43Å; A79-Y83 PolarHBondContact O-N 3.26Å; A79-L91 HydrophobicContact CB-CD1 4.31Å
80L82.3Confident77.2Confident19 Ų1964.8 Ų64.810%0.09933%0.332CS..Hα-helixtrans-67.1-42.1172.4-70.2179.1000111.9V16 L76 E77 E78 I82 Y83 S84 L91V16-L80 HydrophobicContact CB-CD2 4.28Å; V16-L80 HydrophobicContact CG1-CD2 3.69Å; V16-L80 HydrophobicContact CG2-CD2 3.84Å; L76-L80 HydrophobicContact CD1-CD1 4.11Å; L76-L80 HydrophobicContact CD1-CD2 4.49Å; L76-L80 HydrophobicContact CD1-CG 3.98Å; L76-L80 HydrophobicContact CG-CD1 4.07Å; L76-L80 HydrophobicContact CG-CG 4.36Å; L76-L80 WeakPolarHBondContact O-CB 3.38Å; L76-L80 VanDerWaalsContact O-CG 3.24Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 2.67Å; E77-L80 PolarHBondContact O-N 3.19Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.29Å; L80-I82 PolarHBondContact O-N 3.29Å; L80-Y83 WeakPolarHBondContact O-CB 3.35Å; L80-Y83 PolarHBondContact O-N 2.92Å; L80-S84 PolarHBondContact O-N 2.9Å; L80-S84 PolarHBondContact O-OG 3.47Å; L80-L91 HydrophobicContact CD2-CD2 4.07Å
81R81.8Confident77Confident124 Ų12464.6 Ų64.647%0.46833%0.331SS..Hα-helixtrans-64.4-38.8176.8-166.9-165.265.973.1-0.1112E77 E78 R85E77-R81 VanDerWaalsContact O-CB 3.29Å; E77-R81 WeakPolarHBondContact O-CB 3.43Å; E77-R81 PolarHBondContact O-N 3.49Å; E78-R81 VanDerWaalsContact CD-NH2 3.31Å; E78-R81 PolarHBondContact O-N 3.04Å; E78-R81 VanDerWaalsContact O-N 3.16Å; E78-R81 IonicContact OE1-CZ 2.66Å; E78-R81 IonicContact OE1-NE 2.69Å; E78-R81 IonicContact OE1-NH2 2.71Å; E78-R81 PolarHBondContact OE1-NH2 3.49Å; E78-R81 IonicContact OE2-CZ 3.24Å; E78-R81 IonicContact OE2-NE 3.17Å; E78-R81 PolarHBondContact OE2-NE 3.45Å; E78-R81 IonicContact OE2-NH2 2.68Å; E78-R81 PolarHBondContact OE2-NH2 3.27Å; R81-R85 PolarHBondContact O-N 3.01Å
82I73.8Confident77Confident19 Ų1963.7 Ų63.710%0.09732%0.32CS..Hα-helixtrans-71.5-41.3174.8-62.3166.6000110.4W60 E78 L80 S84 R85 S86W60-I82 HydrophobicContact CH2-CB 3.97Å; W60-I82 HydrophobicContact CH2-CD1 3.67Å; W60-I82 HydrophobicContact CH2-CG1 4.44Å; W60-I82 HydrophobicContact CH2-CG2 3.73Å; W60-I82 HydrophobicContact CZ2-CB 4.18Å; W60-I82 HydrophobicContact CZ2-CG2 3.84Å; W60-I82 HydrophobicContact CZ3-CD1 4.14Å; E78-I82 HydrophobicContact CG-CD1 4.01Å; E78-I82 WeakPolarHBondContact O-CG1 3.49Å; E78-I82 PolarHBondContact O-N 2.98Å; L80-I82 PolarHBondContact O-N 3.29Å; I82-S84 PolarHBondContact O-N 3.28Å; I82-R85 CarbonylContact O-C 3.44Å; I82-R85 WeakPolarHBondContact O-CA 3.32Å; I82-R85 WeakPolarHBondContact O-CB 3.49Å; I82-R85 PolarHBondContact O-N 2.96Å; I82-S86 PolarHBondContact O-N 2.93Å; I82-S86 PolarHBondContact O-OG 3.06Å
83Y71Confident76.9Confident42 Ų4261.9 Ų61.917%0.16531%0.307CS..Hα-helixtrans-53.5-48.2172157.3-96.5000112.5V16 A79 L80 R85 S86 K87 T88V16-Y83 HydrophobicContact CG1-CE1 4.15Å; V16-Y83 HydrophobicContact CG2-CE1 4.21Å; A79-Y83 VanDerWaalsContact O-CB 3.26Å; A79-Y83 WeakPolarHBondContact O-CB 3.43Å; A79-Y83 PolarHBondContact O-N 3.26Å; L80-Y83 WeakPolarHBondContact O-CB 3.35Å; L80-Y83 PolarHBondContact O-N 2.92Å; Y83-R85 PolarHBondContact O-N 3.25Å; Y83-S86 PolarHBondContact O-N 2.94Å; Y83-S86 PolarHBondContact O-OG 3.46Å; Y83-K87 PolarHBondContact O-N 3.35Å; Y83-K87 VanDerWaalsContact O-N 3.17Å; Y83-T88 VanDerWaalsContact CE2-O 3.3Å; Y83-T88 WeakPolarHBondContact CE2-O 3.37Å
84S68.8Low76.8Confident76 Ų7659 Ų5953%0.53129%0.294SS..Hα-helixtrans-65.7-17.9177.4-63.10000113.5L80 I82L80-S84 PolarHBondContact O-N 2.9Å; L80-S84 PolarHBondContact O-OG 3.47Å; I82-S84 PolarHBondContact O-N 3.28Å
85R64.9Low76.9Confident148 Ų14852.4 Ų52.456%0.55826%0.262SS*.Hα-helixtrans-89.8-38.3173.1-171.9-176.970.5178.10.6112.8D63 R81 I82 Y83D63-R85 IonicContact OD2-CZ 3.21Å; D63-R85 IonicContact OD2-NH2 2.66Å; D63-R85 PolarHBondContact OD2-NH2 2.89Å; R81-R85 PolarHBondContact O-N 3.01Å; I82-R85 CarbonylContact O-C 3.44Å; I82-R85 WeakPolarHBondContact O-CA 3.32Å; I82-R85 WeakPolarHBondContact O-CB 3.49Å; I82-R85 PolarHBondContact O-N 2.96Å; Y83-R85 PolarHBondContact O-N 3.25Å
86S58.2Low77Confident42 Ų4249.8 Ų49.829%0.29425%0.249SC..Hα-helixtrans-85.7-7.9-173.7650000114.4I82 Y83 T88I82-S86 PolarHBondContact O-N 2.93Å; I82-S86 PolarHBondContact O-OG 3.06Å; Y83-S86 PolarHBondContact O-N 2.94Å; Y83-S86 PolarHBondContact O-OG 3.46Å; S86-T88 PolarHBondContact O-N 3.44Å
87K56.2Low77Confident127 Ų12751.4 Ų51.455%0.55226%0.26SS*.THydrogen-bonded Turntrans5424177.8-72.3-164.9162.3-156.40114.6Y83 P466 D467Y83-K87 PolarHBondContact O-N 3.35Å; Y83-K87 VanDerWaalsContact O-N 3.17Å; K87-P466 HydrophobicContact CD-CB 4.4Å; K87-D467 IonicContact NZ-OD1 3.31Å; K87-D467 PolarHBondContact NZ-OD1 3.42Å
88T57.3Low76.9Confident70 Ų7047.1 Ų47.143%0.42924%0.242SC..  trans-65.9153.4177.256.40000111.2Y83 S86 G90Y83-T88 VanDerWaalsContact CE2-O 3.3Å; Y83-T88 WeakPolarHBondContact CE2-O 3.37Å; S86-T88 PolarHBondContact O-N 3.44Å; T88-G90 PolarHBondContact O-N 3.05Å
89S58.5Low76.9Confident92 Ų9245.7 Ų45.764%0.64324%0.244SC*.SBendtrans-74.323.4-169.560.60000115.8K19K19-S89 WeakPolarHBondContact CE-O 3.47Å; K19-S89 PolarHBondContact NZ-O 3.1Å; K19-S89 PolarHBondContact NZ-OG 2.97Å
90G74.8Confident76.8Confident2 Ų247.3 Ų47.32%0.02125%0.254CS..SBendtrans131.7141.5-178.100000112.2K17 K19 T88 L92K17-G90 CarbonylContact O-C 3.56Å; K17-G90 VanDerWaalsContact O-C 3.24Å; K17-G90 WeakPolarHBondContact O-CA 3.33Å; K19-G90 PolarHBondContact NZ-O 2.96Å; K19-G90 VanDerWaalsContact NZ-O 3.17Å; T88-G90 PolarHBondContact O-N 3.05Å; G90-L92 PolarHBondContact O-N 3.22Å
91L85.4Confident76.7Confident2 Ų254.8 Ų54.81%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-55.3112.8179-178.271.4000110.5V16 K17 V18 K19 W60 L76 A79 L80 L93V16-L91 HydrophobicContact CG1-CB 4.12Å; K17-L91 PolarHBondContact O-N 3.25Å; V18-L91 HydrophobicContact CG2-CD2 4.41Å; K19-L91 PolarHBondContact N-O 2.69Å; W60-L91 HydrophobicContact CG-CD1 4.34Å; L76-L91 HydrophobicContact CD1-CD2 4.3Å; A79-L91 HydrophobicContact CB-CD1 4.31Å; L80-L91 HydrophobicContact CD2-CD2 4.07Å; L91-L93 HydrophobicContact CD2-CD1 4.36Å; L91-L93 HydrophobicContact CD2-CD2 4.12Å; L91-L93 HydrophobicContact CD2-CG 4.33Å; L91-L93 HydrophobicContact CG-CD2 4.05Å; L91-L93 HydrophobicContact CG-CG 4.26Å
92L86.4Confident76.3Confident58 Ų5855.2 Ų55.230%0.30430%0.296SS..EExtended strand (participates in β ladder)trans-90.9121.9179.3179.262.5000110.3K19 M26 G90K19-L92 HydrophobicContact CB-CD1 4.08Å; M26-L92 HydrophobicContact CE-CD1 3.91Å; M26-L92 HydrophobicContact SD-CD1 3.86Å; G90-L92 PolarHBondContact O-N 3.22Å
93L89.1Confident76.2Confident0 Ų060.6 Ų60.60%033%0.333CS..EExtended strand (participates in β ladder)trans-121.4123.3178.8-58.7178.9000109.5V18 K19 A20 H21 L40 V44 L58 K59 W60 I70 L91V18-L93 HydrophobicContact CG1-CD1 3.78Å; V18-L93 HydrophobicContact CG1-CG 4.4Å; K19-L93 PolarHBondContact O-N 3.11Å; A20-L93 CarbonylContact C-O 3.58Å; A20-L93 WeakPolarHBondContact CA-O 3.42Å; H21-L93 PolarHBondContact N-O 2.75Å; L40-L93 HydrophobicContact CD1-CD1 4.13Å; L40-L93 HydrophobicContact CD2-CD1 4.19Å; L40-L93 HydrophobicContact CG-CD1 4.49Å; V44-L93 HydrophobicContact CG2-CD1 4.36Å; L58-L93 HydrophobicContact CD1-CD1 4.44Å; K59-L93 CarbonylContact O-C 3.6Å; K59-L93 WeakPolarHBondContact O-CA 3.43Å; W60-L93 HydrophobicContact CB-CD2 4.19Å; I70-L93 HydrophobicContact CD1-CD2 3.8Å; L91-L93 HydrophobicContact CD2-CD1 4.36Å; L91-L93 HydrophobicContact CD2-CD2 4.12Å; L91-L93 HydrophobicContact CD2-CG 4.33Å; L91-L93 HydrophobicContact CG-CD2 4.05Å; L91-L93 HydrophobicContact CG-CG 4.26Å
94H87.2Confident75.9Confident8 Ų862.8 Ų62.84%0.03737%0.367CS..EExtended strand (participates in β ladder)trans-87.4123.8168.3-65.6-109.7000107.8H21 K59 F96 V114 Y115H21-H94 AromaticContact ND1-ND1 3.54Å; K59-H94 HydrophobicContact CB-CB 4.47Å; K59-H94 PolarHBondContact N-O 3.09Å; K59-H94 PolarHBondContact O-N 3.2Å; H94-F96 HydrophobicContact CB-CE2 3.93Å; H94-F96 HydrophobicContact CB-CZ 4.33Å; H94-V114 PolarHBondContact CE1-O 2.95Å; H94-V114 VanDerWaalsContact ND1-CG1 3.31Å; H94-V114 WeakPolarHBondContact ND1-CG1 3.45Å; H94-Y115 HydrophobicContact CB-CE1 3.77Å; H94-Y115 AromaticContact CD2-CD1 4Å; H94-Y115 AromaticContact CE1-CD1 3.76Å; H94-Y115 AromaticContact CG-CD1 3.83Å; H94-Y115 AromaticContact CG-CE1 3.55Å; H94-Y115 AromaticContact ND1-CD1 3.67Å; H94-Y115 AromaticContact ND1-CE1 3.72Å; H94-Y115 AromaticContact NE2-CD1 3.99Å
95V90.2Very high76.3Confident8 Ų863.9 Ų63.95%0.04837%0.365CS..EExtended strand (participates in β ladder)trans-109.1118.2-168.9-176.50000110.3A20 H21 Y22 V44 I56 L58A20-V95 HydrophobicContact CB-CG2 3.82Å; H21-V95 PolarHBondContact O-N 2.86Å; Y22-V95 HydrophobicContact CD2-CB 4.12Å; Y22-V95 HydrophobicContact CD2-CG1 4.09Å; Y22-V95 WeakPolarHBondContact CD2-O 3.36Å; V44-V95 HydrophobicContact CG1-CB 4.5Å; V44-V95 HydrophobicContact CG1-CG1 4.07Å; V44-V95 HydrophobicContact CG1-CG2 3.57Å; I56-V95 HydrophobicContact CD1-CG1 3.7Å; I56-V95 HydrophobicContact CG1-CG1 3.81Å; L58-V95 HydrophobicContact CD2-CG1 4.29Å; L58-V95 HydrophobicContact CD2-CG2 4.02Å
96F89.6Confident76.9Confident15 Ų1560.2 Ų60.27%0.06636%0.361CS..EExtended strand (participates in β ladder)trans-109.4125.2176-59.4-83.4000109.5I56 T57 K59 H94 S98 C107 E110 V114 Y115I56-F96 WeakPolarHBondContact CA-O 3.16Å; T57-F96 PolarHBondContact N-O 2.82Å; T57-F96 PolarHBondContact O-N 2.62Å; K59-F96 HydrophobicContact CB-CE2 4.3Å; K59-F96 HydrophobicContact CD-CD2 4.46Å; K59-F96 HydrophobicContact CD-CE2 4.14Å; H94-F96 HydrophobicContact CB-CE2 3.93Å; H94-F96 HydrophobicContact CB-CZ 4.33Å; F96-S98 PolarHBondContact O-N 3.32Å; F96-C107 HydrophobicContact CB-CB 3.78Å; F96-C107 HydrophobicContact CD1-CB 4.01Å; F96-C107 HydrophobicContact CD2-CB 4.36Å; F96-C107 HydrophobicContact CG-CB 3.77Å; F96-E110 HydrophobicContact CD1-CB 4.14Å; F96-E110 HydrophobicContact CE1-CB 3.57Å; F96-E110 HydrophobicContact CE1-CG 4.02Å; F96-E110 HydrophobicContact CE2-CG 4.29Å; F96-E110 HydrophobicContact CZ-CB 3.79Å; F96-E110 HydrophobicContact CZ-CG 3.69Å; F96-V114 HydrophobicContact CZ-CG1 4.29Å; F96-Y115 WeakPolarHBondContact CE2-OH 3.17Å; F96-Y115 WeakPolarHBondContact CZ-OH 3.45Å
97P87.7Confident78Confident35 Ų3558.5 Ų58.523%0.22735%0.349CS..SBendtrans-84.744.2-176.838.6-37000111.1Y22 V50 Q54 P55Y22-P97 HydrophobicContact CE2-CB 4.08Å; Y22-P97 HydrophobicContact CE2-CG 3.96Å; V50-P97 HydrophobicContact CG2-CB 4.22Å; Q54-P97 PolarHBondContact NE2-O 2.88Å; P55-P97 CarbonylContact O-C 3.55Å
98S85.8Confident79Confident17 Ų1756.3 Ų56.312%0.11935%0.347CS..SBendtrans-160.8159.7-167.351.90000109P55 T57 F96P55-S98 PolarHBondContact O-N 3.32Å; T57-S98 WeakPolarHBondContact CB-O 3.33Å; T57-S98 PolarHBondContact N-O 3.38Å; T57-S98 PolarHBondContact OG1-O 2.86Å; F96-S98 PolarHBondContact O-N 3.32Å
99A83.2Confident79.6Confident54 Ų5456.3 Ų56.345%0.44636%0.362SS..  trans-99.2153.1162.700000109.6P55 P108P55-A99 HydrophobicContact CB-CB 4.35Å; A99-P108 WeakPolarHBondContact O-CD 3.47Å
100P81.5Confident80.6Confident35 Ų3553.2 Ų53.223%0.22734%0.337CS..  trans-68150.2165.431.8-35.3000110Q102 M105P100-Q102 PolarHBondContact O-N 2.78Å; P100-M105 HydrophobicContact CB-CB 4.37Å; P100-M105 WeakPolarHBondContact CB-O 3.48Å
101E79Confident80.5Confident176 Ų17656.9 Ų56.982%0.82236%0.356SS*.SBendtrans-65.1-29.3-177.1-62-174.3164.800113
102Q74.8Confident79.2Confident134 Ų13465.8 Ų65.863%0.62640%0.395SS*.SBendtrans-143.4153.2175.4-59.7-173.918.200110.1P100 G104 M105P100-Q102 PolarHBondContact O-N 2.78Å; Q102-G104 PolarHBondContact O-N 3.09Å; Q102-M105 HydrophobicContact CB-CG 4.07Å; Q102-M105 WeakPolarHBondContact O-CB 3.4Å; Q102-M105 PolarHBondContact O-N 3.3Å; Q102-M105 VanDerWaalsContact O-N 3.13Å
103P71Confident77.9Confident132 Ų13264.3 Ų64.386%0.85739%0.39SS*.THydrogen-bonded Turntrans-54.7133.1172.5-24.935000111.7M105P103-M105 VanDerWaalsContact C-N 3.34Å
104G65.3Low76.6Confident87 Ų8765.3 Ų65.390%0.89740%0.396SS*.THydrogen-bonded Turntrans86.3-10.9-177.500000115.6Q102Q102-G104 PolarHBondContact O-N 3.09Å
105M76.2Confident75.4Confident99 Ų9966.2 Ų66.249%0.48840%0.399SS..SBendtrans-80.5156.8172.7-68.5-67.5-78.300112P100 Q102 P103P100-M105 HydrophobicContact CB-CB 4.37Å; P100-M105 WeakPolarHBondContact CB-O 3.48Å; Q102-M105 HydrophobicContact CB-CG 4.07Å; Q102-M105 WeakPolarHBondContact O-CB 3.4Å; Q102-M105 PolarHBondContact O-N 3.3Å; Q102-M105 VanDerWaalsContact O-N 3.13Å; P103-M105 VanDerWaalsContact C-N 3.34Å
106P76.9Confident73.8Confident72 Ų7274 Ų7447%0.46843%0.427SS..PPolyproline II helixtrans-65.2154.5167.528.5-34.9000111.6E110P106-E110 WeakPolarHBondContact CA-OE2 3.35Å; P106-E110 HydrophobicContact CB-CB 4.06Å; P106-E110 HydrophobicContact CB-CG 4.17Å
107C82.1Confident71.7Confident6 Ų681.5 Ų81.54%0.04146%0.455CS..PPolyproline II helixtrans-74155170.7-54.80000110.8F96 G109 E110F96-C107 HydrophobicContact CB-CB 3.78Å; F96-C107 HydrophobicContact CD1-CB 4.01Å; F96-C107 HydrophobicContact CD2-CB 4.36Å; F96-C107 HydrophobicContact CG-CB 3.77Å; C107-G109 PolarHBondContact O-N 2.89Å; C107-G109 VanDerWaalsContact O-N 3.11Å; C107-E110 HydrophobicContact CB-CB 4.08Å; C107-E110 PolarHBondContact N-OE2 2.82Å; C107-E110 VanDerWaalsContact O-CB 3.23Å; C107-E110 WeakPolarHBondContact O-CB 3.49Å; C107-E110 PolarHBondContact O-N 3.38Å; C107-E110 PolarHBondContact SG-OE2 2.77Å; C107-E110 VanDerWaalsContact SG-OE2 3.37Å
108P76.8Confident69.6Low80 Ų8082.2 Ų82.252%0.51947%0.469SS..THydrogen-bonded Turntrans-53.4117.9165.7-27.535.7000111.6A99A99-P108 WeakPolarHBondContact O-CD 3.47Å
109G71.3Confident67.2Low71 Ų7186.5 Ų86.573%0.73251%0.505SS*.THydrogen-bonded Turntrans85.414.8-174.500000115.5C107C107-G109 PolarHBondContact O-N 2.89Å; C107-G109 VanDerWaalsContact O-N 3.11Å
110E79.4Confident65.4Low27 Ų2789.6 Ų89.613%0.12651%0.505CS..  trans-98.6123.7171.1-178.2-179.8173.400111.5K59 F96 P106 C107 Y115K59-E110 WeakPolarHBondContact CD-OE1 3.27Å; K59-E110 IonicContact NZ-OE1 3.26Å; K59-E110 PolarHBondContact NZ-OE1 3.03Å; K59-E110 IonicContact NZ-OE2 2.96Å; K59-E110 PolarHBondContact NZ-OE2 2.73Å; F96-E110 HydrophobicContact CD1-CB 4.14Å; F96-E110 HydrophobicContact CE1-CB 3.57Å; F96-E110 HydrophobicContact CE1-CG 4.02Å; F96-E110 HydrophobicContact CE2-CG 4.29Å; F96-E110 HydrophobicContact CZ-CB 3.79Å; F96-E110 HydrophobicContact CZ-CG 3.69Å; P106-E110 WeakPolarHBondContact CA-OE2 3.35Å; P106-E110 HydrophobicContact CB-CB 4.06Å; P106-E110 HydrophobicContact CB-CG 4.17Å; C107-E110 HydrophobicContact CB-CB 4.08Å; C107-E110 PolarHBondContact N-OE2 2.82Å; C107-E110 VanDerWaalsContact O-CB 3.23Å; C107-E110 WeakPolarHBondContact O-CB 3.49Å; C107-E110 PolarHBondContact O-N 3.38Å; C107-E110 PolarHBondContact SG-OE2 2.77Å; C107-E110 VanDerWaalsContact SG-OE2 3.37Å; E110-Y115 HydrophobicContact CG-CE2 3.94Å; E110-Y115 WeakPolarHBondContact CG-OH 3.42Å; E110-Y115 WeakPolarHBondContact OE1-CE2 3.48Å; E110-Y115 PolarHBondContact OE1-OH 3.19Å
111D71.4Confident63.7Low79 Ų7998.7 Ų98.742%0.42254%0.535SS..  trans-133.4160.9174.275.875.5000111.8S113 V114D111-S113 PolarHBondContact O-N 3.1Å; D111-S113 VanDerWaalsContact O-N 3.16Å; D111-S113 WeakPolarHBondContact OD1-CA 3.32Å; D111-S113 WeakPolarHBondContact OD1-CB 3.21Å; D111-S113 PolarHBondContact OD1-N 2.82Å; D111-S113 PolarHBondContact OD1-OG 2.98Å; D111-V114 VanDerWaalsContact O-CB 3.3Å; D111-V114 WeakPolarHBondContact O-CB 3.19Å; D111-V114 WeakPolarHBondContact O-CG2 3.12Å; D111-V114 PolarHBondContact O-N 2.82Å; D111-V114 VanDerWaalsContact O-N 3.14Å; D111-V114 PolarHBondContact OD1-N 3.27Å; D111-V114 WeakPolarHBondContact OD2-CG2 3.22Å
112K59.5Low62.7Low188 Ų18893.3 Ų93.382%0.81751%0.508SS*.THydrogen-bonded Turntrans-68.1-11.5-176.6-66.4-163.7175.6-160.80114.4
113S59.1Low62.3Low28 Ų2893.2 Ų93.220%0.19650%0.502CS..THydrogen-bonded Turntrans-77.3-25.7172.990.60000113.1D111 Y115 R116 R120D111-S113 PolarHBondContact O-N 3.1Å; D111-S113 VanDerWaalsContact O-N 3.16Å; D111-S113 WeakPolarHBondContact OD1-CA 3.32Å; D111-S113 WeakPolarHBondContact OD1-CB 3.21Å; D111-S113 PolarHBondContact OD1-N 2.82Å; D111-S113 PolarHBondContact OD1-OG 2.98Å; S113-Y115 PolarHBondContact O-N 2.8Å; S113-Y115 VanDerWaalsContact O-N 3.15Å; S113-R116 PolarHBondContact O-N 2.93Å; S113-R120 PolarHBondContact O-NH1 3.42Å
114V61.2Low62.5Low21 Ų2192.3 Ų92.313%0.12748%0.484CS..THydrogen-bonded Turntrans-56.7-29.8178.3174.30000111.7H94 F96 D111H94-V114 PolarHBondContact CE1-O 2.95Å; H94-V114 VanDerWaalsContact ND1-CG1 3.31Å; H94-V114 WeakPolarHBondContact ND1-CG1 3.45Å; F96-V114 HydrophobicContact CZ-CG1 4.29Å; D111-V114 VanDerWaalsContact O-CB 3.3Å; D111-V114 WeakPolarHBondContact O-CB 3.19Å; D111-V114 WeakPolarHBondContact O-CG2 3.12Å; D111-V114 PolarHBondContact O-N 2.82Å; D111-V114 VanDerWaalsContact O-N 3.14Å; D111-V114 PolarHBondContact OD1-N 3.27Å; D111-V114 WeakPolarHBondContact OD2-CG2 3.22Å
115Y62.6Low63.3Low27 Ų2788.4 Ų88.411%0.10644%0.443CS..THydrogen-bonded Turntrans-104.2-0.1-170.8-54.5-55.2000115.4K59 I61 P67 H94 F96 E110 S113 R117K59-Y115 VanDerWaalsContact CD-OH 3.24Å; K59-Y115 WeakPolarHBondContact CD-OH 3.42Å; I61-Y115 HydrophobicContact CD1-CD1 3.52Å; I61-Y115 HydrophobicContact CD1-CE1 4.08Å; I61-Y115 HydrophobicContact CD1-CG 3.78Å; I61-Y115 HydrophobicContact CG1-CD1 4.16Å; P67-Y115 HydrophobicContact CB-CD1 4.48Å; P67-Y115 HydrophobicContact CB-CD2 4.04Å; P67-Y115 HydrophobicContact CB-CE1 4.03Å; P67-Y115 HydrophobicContact CB-CE2 3.56Å; P67-Y115 HydrophobicContact CB-CG 4.46Å; P67-Y115 HydrophobicContact CG-CD2 4.12Å; P67-Y115 HydrophobicContact CG-CE2 3.71Å; H94-Y115 HydrophobicContact CB-CE1 3.77Å; H94-Y115 AromaticContact CD2-CD1 4Å; H94-Y115 AromaticContact CE1-CD1 3.76Å; H94-Y115 AromaticContact CG-CD1 3.83Å; H94-Y115 AromaticContact CG-CE1 3.55Å; H94-Y115 AromaticContact ND1-CD1 3.67Å; H94-Y115 AromaticContact ND1-CE1 3.72Å; H94-Y115 AromaticContact NE2-CD1 3.99Å; F96-Y115 WeakPolarHBondContact CE2-OH 3.17Å; F96-Y115 WeakPolarHBondContact CZ-OH 3.45Å; E110-Y115 HydrophobicContact CG-CE2 3.94Å; E110-Y115 WeakPolarHBondContact CG-OH 3.42Å; E110-Y115 WeakPolarHBondContact OE1-CE2 3.48Å; E110-Y115 PolarHBondContact OE1-OH 3.19Å; S113-Y115 PolarHBondContact O-N 2.8Å; S113-Y115 VanDerWaalsContact O-N 3.15Å; Y115-R117 PolarHBondContact O-N 2.99Å
116R56.6Low63.6Low170 Ų17086 Ų8664%0.64243%0.428SS*.  trans-60.5121.8-177.4-65.9178.4-165.7160.88.6110.9S113 G118S113-R116 PolarHBondContact O-N 2.93Å; R116-G118 PolarHBondContact O-N 2.85Å
117R44.3Very low63.9Low173 Ų17384.7 Ų84.765%0.65341%0.414SS*.  trans-69.638.7178.8-61.4-179.5177.7170.5-3.1114.2D62 D63 Y115D62-R117 PolarHBondContact O-NH2 2.9Å; D63-R117 VanDerWaalsContact C-NH2 3.34Å; D63-R117 PolarHBondContact O-NH1 3.32Å; D63-R117 PolarHBondContact O-NH2 2.84Å; Y115-R117 PolarHBondContact O-N 2.99Å
118G43.6Very low64Low50 Ų5085.3 Ų85.352%0.51542%0.418SS..SBendtrans-92.8164.317700000113.3R116 R120R116-G118 PolarHBondContact O-N 2.85Å; G118-R120 PolarHBondContact O-N 2.83Å
119A36.5Very low64.1Low107 Ų10785.4 Ų85.488%0.88441%0.414SS*.  trans-74.845.7-176.500000114.7R121A119-R121 PolarHBondContact O-N 2.74Å
120R44.9Very low64.4Low119 Ų11983 Ų8345%0.44939%0.389SS..  trans-58.6124174.5-88.4-177.7161.4161.9-9110.4S113 G118 W122S113-R120 PolarHBondContact O-NH1 3.42Å; G118-R120 PolarHBondContact O-N 2.83Å; R120-W122 HydrophobicContact CB-CD2 4.12Å; R120-W122 HydrophobicContact CB-CH2 4.47Å; R120-W122 HydrophobicContact CB-CZ2 3.8Å; R120-W122 HydrophobicContact CG-CZ2 4.3Å; R120-W122 PolarHBondContact O-N 2.66Å; R120-W122 PolarHBondContact O-NE1 2.87Å
121R45Very low64.6Low226 Ų22682 Ų8285%0.85339%0.385SS*.  trans-81.455.6-175.7-156.1-177.5-160.3-175.59.1112.6A119A119-R121 PolarHBondContact O-N 2.74Å
122W58.1Low65.3Low64 Ų6479.6 Ų79.624%0.24237%0.371CS..  trans-49141.6-174.1-50.1100000113.8H21 M26 R120 K124H21-W122 AromaticContact CD2-CE3 3.85Å; H21-W122 AromaticContact CD2-CZ3 3.71Å; H21-W122 AromaticContact NE2-CE3 3.86Å; H21-W122 AromaticContact NE2-CH2 3.88Å; H21-W122 AromaticContact NE2-CZ3 3.31Å; H21-W122 VanDerWaalsContact NE2-CZ3 3.31Å; H21-W122 WeakPolarHBondContact NE2-CZ3 3.35Å; M26-W122 HydrophobicContact CB-CB 3.73Å; M26-W122 HydrophobicContact CB-CG 4.47Å; M26-W122 HydrophobicContact CE-CB 4.21Å; M26-W122 HydrophobicContact CE-CD2 4.08Å; M26-W122 HydrophobicContact CE-CG 3.73Å; M26-W122 HydrophobicContact CG-CB 4.49Å; R120-W122 HydrophobicContact CB-CD2 4.12Å; R120-W122 HydrophobicContact CB-CH2 4.47Å; R120-W122 HydrophobicContact CB-CZ2 3.8Å; R120-W122 HydrophobicContact CG-CZ2 4.3Å; R120-W122 PolarHBondContact O-N 2.66Å; R120-W122 PolarHBondContact O-NE1 2.87Å; W122-K124 PolarHBondContact O-N 3.24Å
123R65.8Low66.5Low132 Ų13270.6 Ų70.650%0.49833%0.332SS..EExtended strand (participates in β ladder)trans-69.595174.6-174.3175179.1-178.31.9110.7L25 M26L25-R123 HydrophobicContact CD2-CB 4Å; L25-R123 HydrophobicContact CD2-CG 4.16Å; M26-R123 PolarHBondContact N-O 3.28Å
124K75.9Confident67.6Low112 Ų11271 Ų7149%0.48733%0.331SS..EExtended strand (participates in β ladder)trans-73.3126.9179.9-65.5169.8-171.6172.40111.8M26 I28 W122 Y126M26-K124 HydrophobicContact CB-CG 4.24Å; M26-K124 HydrophobicContact CG-CG 4.27Å; M26-K124 WeakPolarHBondContact O-CA 3.38Å; I28-K124 HydrophobicContact CD1-CB 4.21Å; I28-K124 HydrophobicContact CD1-CD 4.47Å; I28-K124 HydrophobicContact CD1-CG 4.14Å; W122-K124 PolarHBondContact O-N 3.24Å; K124-Y126 HydrophobicContact CB-CE2 3.96Å
125L81.4Confident68.5Low6 Ų671.8 Ų71.83%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-129.5123.3174.8-66.5177000109.4L25 M26 L27 I28 F133 Q134 I162L25-L125 HydrophobicContact CD1-CD1 4.24Å; M26-L125 PolarHBondContact O-N 3.37Å; L27-L125 CarbonylContact C-O 3.38Å; L27-L125 WeakPolarHBondContact CA-O 3.4Å; L27-L125 HydrophobicContact CD2-CB 4.17Å; L27-L125 HydrophobicContact CD2-CD1 4.22Å; I28-L125 PolarHBondContact N-O 3.15Å; L125-F133 WeakPolarHBondContact CA-O 2.94Å; L125-Q134 HydrophobicContact CD2-CB 3.68Å; L125-Q134 HydrophobicContact CD2-CG 3.99Å; L125-I162 HydrophobicContact CD1-CD1 4.2Å; L125-I162 HydrophobicContact CD2-CD1 4.37Å; L125-I162 HydrophobicContact CD2-CG2 4.11Å
126Y83Confident69Low48 Ų4875.3 Ų75.319%0.18836%0.355CS..EExtended strand (participates in β ladder)trans-100.8124.1-175.6-61.5-102.2000109.8I28 K124 F133 Y159I28-Y126 HydrophobicContact CB-CD1 3.97Å; I28-Y126 HydrophobicContact CB-CE1 4.27Å; I28-Y126 HydrophobicContact CB-CG 4.44Å; I28-Y126 HydrophobicContact CD1-CD1 4.28Å; I28-Y126 HydrophobicContact CD1-CE1 3.76Å; I28-Y126 HydrophobicContact CD1-CE2 4.38Å; I28-Y126 HydrophobicContact CG2-CD1 3.94Å; I28-Y126 HydrophobicContact CG2-CE1 4.08Å; I28-Y126 CarbonylContact O-C 3.53Å; I28-Y126 WeakPolarHBondContact O-CA 3.28Å; K124-Y126 HydrophobicContact CB-CE2 3.96Å; Y126-F133 PolarHBondContact N-O 3.48Å; Y126-F133 WeakPolarHBondContact O-CB 3.43Å; Y126-F133 PolarHBondContact O-N 2.71Å; Y126-Y159 HydrophobicContact CD2-CD1 4.19Å; Y126-Y159 AromaticContact CD2-CE1 3.42Å; Y126-Y159 HydrophobicContact CD2-CE1 3.42Å; Y126-Y159 VanDerWaalsContact CD2-CE1 3.42Å; Y126-Y159 AromaticContact CD2-CZ 3.88Å; Y126-Y159 WeakPolarHBondContact CE1-OH 3.26Å; Y126-Y159 AromaticContact CE2-CE1 3.58Å; Y126-Y159 HydrophobicContact CE2-CE1 3.58Å; Y126-Y159 AromaticContact CG-CE1 3.99Å; Y126-Y159 HydrophobicContact CG-CE1 3.99Å
127R84.5Confident69.6Low45 Ų4571.6 Ų71.617%0.1735%0.352CS..EExtended strand (participates in β ladder)trans-94.4122.4179.8-172.1178.517998.18.4110.1I28 E43 T46 H131 L132I28-R127 PolarHBondContact O-N 3.32Å; E43-R127 WeakPolarHBondContact OE1-CD 3.41Å; E43-R127 IonicContact OE1-NE 2.67Å; E43-R127 IonicContact OE2-NE 3.5Å; T46-R127 PolarHBondContact O-NH1 3.06Å; R127-H131 WeakPolarHBondContact CA-O 3.43Å; R127-L132 HydrophobicContact CB-CD2 4.15Å; R127-L132 HydrophobicContact CG-CD2 4.25Å
128V82.9Confident70.6Confident18 Ų1864.9 Ų64.911%0.10933%0.328CS..EExtended strand (participates in β ladder)trans-145.4126.7172.1-177.70000109.6G130 H131 F133 H173V128-G130 PolarHBondContact O-N 2.94Å; V128-G130 VanDerWaalsContact O-N 3.1Å; V128-H131 PolarHBondContact N-O 2.93Å; V128-H131 VanDerWaalsContact N-O 3.08Å; V128-H131 WeakPolarHBondContact O-CB 3.45Å; V128-H131 PolarHBondContact O-CD2 3.42Å; V128-H131 PolarHBondContact O-N 3.37Å; V128-F133 HydrophobicContact CB-CD2 4.45Å; V128-F133 HydrophobicContact CB-CE2 4.42Å; V128-H173 WeakPolarHBondContact CG1-O 3.39Å
129N80.1Confident71.2Confident83 Ų8368.8 Ų68.844%0.44434%0.337SS..THydrogen-bonded Turntrans4841.5174.8-61.2-10.1000113.7H131 L176 T179 C180N129-H131 VanDerWaalsContact C-N 3.27Å; N129-H131 PolarHBondContact O-CD2 3.3Å; N129-H131 PolarHBondContact O-N 3.07Å; N129-L176 PolarHBondContact ND2-O 2.96Å; N129-T179 WeakPolarHBondContact O-CA 3.47Å; N129-C180 PolarHBondContact O-N 3.43Å
130G76.9Confident72.1Confident21 Ų2173 Ų7322%0.21633%0.329CS..THydrogen-bonded Turntrans78.7-6-178.200000115.6V128 C180 L183V128-G130 PolarHBondContact O-N 2.94Å; V128-G130 VanDerWaalsContact O-N 3.1Å; G130-C180 VanDerWaalsContact C-CB 3.48Å; G130-C180 VanDerWaalsContact O-CB 3.28Å; G130-C180 WeakPolarHBondContact O-CB 3.45Å; G130-L183 VanDerWaalsContact O-CD1 3.29Å; G130-L183 WeakPolarHBondContact O-CD1 3.37Å
131H83.6Confident73Confident6 Ų675.8 Ų75.83%0.02835%0.345CS..EExtended strand (participates in β ladder)trans-81.5142171.7-59.5-92.9000110.5R127 V128 N129 F133 C161 C164 L178 C180R127-H131 WeakPolarHBondContact CA-O 3.43Å; V128-H131 PolarHBondContact N-O 2.93Å; V128-H131 VanDerWaalsContact N-O 3.08Å; V128-H131 WeakPolarHBondContact O-CB 3.45Å; V128-H131 PolarHBondContact O-CD2 3.42Å; V128-H131 PolarHBondContact O-N 3.37Å; N129-H131 VanDerWaalsContact C-N 3.27Å; N129-H131 PolarHBondContact O-CD2 3.3Å; N129-H131 PolarHBondContact O-N 3.07Å; H131-F133 HydrophobicContact CB-CD2 3.8Å; H131-F133 HydrophobicContact CB-CE1 4.38Å; H131-F133 HydrophobicContact CB-CE2 3.32Å; H131-F133 HydrophobicContact CB-CZ 3.63Å; H131-F133 AromaticContact CG-CE2 3.88Å; H131-F133 AromaticContact CG-CZ 3.83Å; H131-C161 HydrophobicContact CB-CB 4.27Å; H131-C164 PolarHBondContact ND1-SG 3.07Å; H131-L178 PolarHBondContact NE2-O 3.28Å; H131-C180 HydrophobicContact CB-CB 4.44Å; H131-C180 PolarHBondContact NE2-N 2.65Å
132L85.4Confident74.5Confident27 Ų2765.4 Ų65.414%0.14131%0.307CS..EExtended strand (participates in β ladder)trans-108.397.3170.7-73.4174.3000109R127 C161 I162R127-L132 HydrophobicContact CB-CD2 4.15Å; R127-L132 HydrophobicContact CG-CD2 4.25Å; L132-C161 CarbonylContact O-C 3.41Å; L132-C161 WeakPolarHBondContact O-CA 3.45Å; L132-I162 HydrophobicContact CB-CD1 3.92Å; L132-I162 HydrophobicContact CB-CG1 3.83Å; L132-I162 HydrophobicContact CD1-CD1 4.23Å; L132-I162 PolarHBondContact O-N 3Å
133F85.6Confident75.7Confident0 Ų069.1 Ų69.10%032%0.322CS..EExtended strand (participates in β ladder)trans-88.8118.1-172.8-79.5-62000112.5L125 Y126 V128 H131 Y159 C161 L166 V168 H173 L176L125-F133 WeakPolarHBondContact CA-O 2.94Å; Y126-F133 PolarHBondContact N-O 3.48Å; Y126-F133 WeakPolarHBondContact O-CB 3.43Å; Y126-F133 PolarHBondContact O-N 2.71Å; V128-F133 HydrophobicContact CB-CD2 4.45Å; V128-F133 HydrophobicContact CB-CE2 4.42Å; H131-F133 HydrophobicContact CB-CD2 3.8Å; H131-F133 HydrophobicContact CB-CE1 4.38Å; H131-F133 HydrophobicContact CB-CE2 3.32Å; H131-F133 HydrophobicContact CB-CZ 3.63Å; H131-F133 AromaticContact CG-CE2 3.88Å; H131-F133 AromaticContact CG-CZ 3.83Å; F133-Y159 HydrophobicContact CB-CD1 4.17Å; F133-Y159 HydrophobicContact CB-CG 4.02Å; F133-Y159 HydrophobicContact CG-CG 4.41Å; F133-C161 HydrophobicContact CD1-CB 3.92Å; F133-C161 HydrophobicContact CE1-CB 3.67Å; F133-C161 HydrophobicContact CZ-CB 4.31Å; F133-L166 HydrophobicContact CZ-CD2 4.33Å; F133-V168 HydrophobicContact CD1-CG2 4.29Å; F133-V168 HydrophobicContact CE1-CG2 3.72Å; F133-V168 HydrophobicContact CZ-CG2 3.92Å; F133-H173 HydrophobicContact CD2-CB 4.28Å; F133-H173 HydrophobicContact CE2-CB 4.2Å; F133-L176 HydrophobicContact CE2-CD1 3.8Å; F133-L176 HydrophobicContact CZ-CD1 3.44Å; F133-L176 VanDerWaalsContact CZ-CD1 3.44Å
134Q82.6Confident76.7Confident37 Ų3763 Ų6317%0.17330%0.3CS..EExtended strand (participates in β ladder)trans-93.2135.9166.6-166.5169.9-2.200109.6L125 K136 Y159 K160 I162L125-Q134 HydrophobicContact CD2-CB 3.68Å; L125-Q134 HydrophobicContact CD2-CG 3.99Å; Q134-K136 PolarHBondContact O-N 2.88Å; Q134-Y159 WeakPolarHBondContact O-CA 3.47Å; Q134-K160 PolarHBondContact N-O 3.23Å; Q134-K160 PolarHBondContact O-N 2.75Å; Q134-I162 HydrophobicContact CB-CG2 3.84Å
135A78.6Confident77Confident36 Ų3660 Ų6030%0.29830%0.301SS..EExtended strand (participates in β ladder)trans-64.1129.6169.900000109.6Y159A135-Y159 HydrophobicContact CB-CD1 4.18Å; A135-Y159 HydrophobicContact CB-CE1 4.01Å
136K73.7Confident77.3Confident101 Ų10163.1 Ų63.144%0.43932%0.315SS..EExtended strand (participates in β ladder)trans-141.2139.8176.6-78.9-63.7-173.6178.40110.9Q134 F138 G156 Q157 G158 K160Q134-K136 PolarHBondContact O-N 2.88Å; K136-F138 HydrophobicContact CB-CD1 4.39Å; K136-F138 HydrophobicContact CB-CE1 3.75Å; K136-F138 HydrophobicContact CB-CZ 3.93Å; K136-F138 WeakPolarHBondContact O-CE2 3.14Å; K136-G156 CarbonylContact O-C 3.24Å; K136-Q157 PolarHBondContact O-N 2.74Å; K136-Q157 VanDerWaalsContact O-N 3.12Å; K136-G158 PolarHBondContact N-O 3Å; K136-G158 PolarHBondContact O-N 3.09Å; K136-K160 HydrophobicContact CG-CB 4.43Å
137T68.8Low77.4Confident93 Ų9363 Ų6357%0.57132%0.32SS*.  trans-75.6144160.7-56.80000107.5G156 Q157T137-G156 PolarHBondContact OG1-N 3.17Å; T137-Q157 HydrophobicContact CG2-CG 4.22Å
138F65.4Low77.4Confident32 Ų3265.4 Ų65.414%0.1434%0.344CS..  trans-121152.3-177.5-59.5-64000110.7K136 A142 I151 Q157 K160 L167K136-F138 HydrophobicContact CB-CD1 4.39Å; K136-F138 HydrophobicContact CB-CE1 3.75Å; K136-F138 HydrophobicContact CB-CZ 3.93Å; K136-F138 WeakPolarHBondContact O-CE2 3.14Å; F138-A142 HydrophobicContact CB-CB 3.52Å; F138-A142 HydrophobicContact CD1-CB 4.48Å; F138-A142 HydrophobicContact CD2-CB 4.13Å; F138-A142 HydrophobicContact CG-CB 3.81Å; F138-I151 HydrophobicContact CD2-CB 4.26Å; F138-I151 HydrophobicContact CD2-CD1 4.34Å; F138-I151 HydrophobicContact CD2-CG2 3.74Å; F138-I151 HydrophobicContact CE2-CD1 4.06Å; F138-I151 HydrophobicContact CE2-CG2 4.01Å; F138-Q157 HydrophobicContact CD2-CB 4.38Å; F138-Q157 PolarHBondContact O-OE1 3.48Å; F138-K160 HydrophobicContact CE1-CB 4.11Å; F138-K160 HydrophobicContact CE1-CD 4.39Å; F138-K160 HydrophobicContact CZ-CB 4.05Å; F138-L167 HydrophobicContact CE1-CD1 4.37Å; F138-L167 HydrophobicContact CE1-CD2 3.69Å; F138-L167 HydrophobicContact CZ-CD2 3.86Å
139N56.2Low77.4Confident132 Ų13269 Ų6971%0.70636%0.36SS*.  trans-70.4172.8171.769.923.3000110.7K141 A142N139-K141 PolarHBondContact O-N 3.28Å; N139-A142 PolarHBondContact O-N 3.06Å
140R55.4Low77.4Confident194 Ų19470.7 Ų70.773%0.73236%0.36SS*.THydrogen-bonded Turntrans-62.77.7-166-63-178.4178.91761.7116.1R150 D435R140-R150 PolarHBondContact O-NE 3.22Å; R140-R150 PolarHBondContact O-NH2 3.22Å; R140-D435 IonicContact NH2-OD2 2.69Å; R140-D435 PolarHBondContact NH2-OD2 3.03Å
141K63.5Low77.3Confident178 Ų17869.9 Ų69.977%0.77435%0.351SS*.THydrogen-bonded Turntrans-128.319.2-176.8-66.6-172.6177.2-179.50116.5N139 Y143N139-K141 PolarHBondContact O-N 3.28Å; K141-Y143 VanDerWaalsContact O-CD2 3.31Å; K141-Y143 WeakPolarHBondContact O-CD2 3.23Å; K141-Y143 WeakPolarHBondContact O-CE2 3.27Å
142A77.1Confident76.5Confident8 Ų878.5 Ų78.57%0.06638%0.383CS..  trans-80.9144.6176.700000114.4F138 N139 R150 I151 L167F138-A142 HydrophobicContact CB-CB 3.52Å; F138-A142 HydrophobicContact CD1-CB 4.48Å; F138-A142 HydrophobicContact CD2-CB 4.13Å; F138-A142 HydrophobicContact CG-CB 3.81Å; N139-A142 PolarHBondContact O-N 3.06Å; A142-R150 CarbonylContact O-C 3.59Å; A142-R150 WeakPolarHBondContact O-CA 3.27Å; A142-R150 WeakPolarHBondContact O-CG 3.5Å; A142-I151 HydrophobicContact CB-CB 4.27Å; A142-I151 PolarHBondContact O-N 2.56Å; A142-L167 HydrophobicContact CB-CD1 4.18Å
143Y82.6Confident75Confident143 Ų14378.5 Ų78.556%0.56139%0.39SS*.BIsolated β-bridgetrans-131.7152.5178.1-67.3-96.6000111K141 S148 E149 R150K141-Y143 VanDerWaalsContact O-CD2 3.31Å; K141-Y143 WeakPolarHBondContact O-CD2 3.23Å; K141-Y143 WeakPolarHBondContact O-CE2 3.27Å; Y143-S148 WeakPolarHBondContact CD1-O 3.15Å; Y143-E149 WeakPolarHBondContact CA-O 3.46Å; Y143-R150 HydrophobicContact CD1-CB 4.3Å; Y143-R150 HydrophobicContact CE1-CB 4.19Å
144C86.4Confident72.9Confident3 Ų382.2 Ų82.22%0.0241%0.409CS..  trans-89.7118.1-176.4178.40000111.5H146 C147 S148 E149 I151 V168 H169C144-H146 PolarHBondContact O-N 2.7Å; C144-C147 VanDerWaalsContact SG-SG 3.6Å; C144-S148 VanDerWaalsContact O-CA 3.22Å; C144-S148 WeakPolarHBondContact O-CA 3.33Å; C144-S148 PolarHBondContact O-N 3.34Å; C144-E149 WeakPolarHBondContact CB-O 3.3Å; C144-E149 PolarHBondContact N-O 3.27Å; C144-I151 HydrophobicContact CB-CD1 4.28Å; C144-I151 HydrophobicContact CB-CG1 3.92Å; C144-V168 VanDerWaalsContact SG-CA 3.58Å; C144-H169 WeakPolarHBondContact CB-CE1 3.48Å; C144-H169 WeakPolarHBondContact CB-ND1 3.12Å; C144-H169 PolarHBondContact SG-N 3.12Å; C144-H169 PolarHBondContact SG-ND1 3.1Å
145G84.2Confident71.1Confident49 Ų4983.2 Ų83.251%0.50543%0.429SS..THydrogen-bonded Turntrans-71.530.8176.700000115.2L167G145-L167 PolarHBondContact N-O 3.44Å
146H86.1Confident69.9Low71 Ų7181.9 Ų81.933%0.32942%0.42SS..THydrogen-bonded Turntrans-132-56.9173.2172.276.5000111.1C144 V168 C172 L175 L176C144-H146 PolarHBondContact O-N 2.7Å; H146-V168 HydrophobicContact CB-CG1 4.33Å; H146-C172 HydrophobicContact CB-CB 4.11Å; H146-L175 VanDerWaalsContact CE1-CB 3.41Å; H146-L175 WeakPolarHBondContact CE1-CB 3.32Å; H146-L175 PolarHBondContact CE1-O 3.07Å; H146-L175 PolarHBondContact ND1-O 3.29Å; H146-L175 WeakPolarHBondContact NE2-CB 3.49Å; H146-L176 HydrophobicContact CB-CD2 4.03Å
147C85.9Confident69.4Low45 Ų4579.2 Ų79.230%0.30441%0.408SS..THydrogen-bonded Turntrans-98.7-3178.260.50000114.3C144 E149 H169C144-C147 VanDerWaalsContact SG-SG 3.6Å; C147-E149 HydrophobicContact CB-CG 4.27Å; C147-E149 PolarHBondContact O-N 3Å; C147-E149 PolarHBondContact SG-OE2 3.11Å; C147-H169 VanDerWaalsContact SG-CE1 3.5Å
148S84.7Confident69.6Low97 Ų9774.8 Ų74.868%0.67838%0.381SS*.  trans59.71.1-175.2-58.80000116.2Y143 C144Y143-S148 WeakPolarHBondContact CD1-O 3.15Å; C144-S148 VanDerWaalsContact O-CA 3.22Å; C144-S148 WeakPolarHBondContact O-CA 3.33Å; C144-S148 PolarHBondContact O-N 3.34Å
149E82.4Confident70.5Confident92 Ų9274 Ų7443%0.4338%0.378SS..PPolyproline II helixtrans-71.4157172.6-53.8167.912300111.6Y143 C144 C147 H169 R171Y143-E149 WeakPolarHBondContact CA-O 3.46Å; C144-E149 WeakPolarHBondContact CB-O 3.3Å; C144-E149 PolarHBondContact N-O 3.27Å; C147-E149 HydrophobicContact CB-CG 4.27Å; C147-E149 PolarHBondContact O-N 3Å; C147-E149 PolarHBondContact SG-OE2 3.11Å; E149-H169 IonicContact OE2-CE1 2.72Å; E149-R171 IonicContact OE1-NH2 3.78Å; E149-R171 PolarHBondContact OE1-NH2 2.97Å; E149-R171 IonicContact OE2-CZ 2.78Å; E149-R171 IonicContact OE2-NH2 2.65Å; E149-R171 PolarHBondContact OE2-NH2 2.92Å
150R80.4Confident71.9Confident119 Ų11971.8 Ų71.845%0.44936%0.362SS..BIsolated β-bridgetrans-60139.9173.2-168-175.9-170.3-167.35.5110.8R140 A142 Y143 W152 H169R140-R150 PolarHBondContact O-NE 3.22Å; R140-R150 PolarHBondContact O-NH2 3.22Å; A142-R150 CarbonylContact O-C 3.59Å; A142-R150 WeakPolarHBondContact O-CA 3.27Å; A142-R150 WeakPolarHBondContact O-CG 3.5Å; Y143-R150 HydrophobicContact CD1-CB 4.3Å; Y143-R150 HydrophobicContact CE1-CB 4.19Å; R150-W152 VanDerWaalsContact O-CD1 3.26Å; R150-H169 PolarHBondContact O-NE2 2.77Å
151I75Confident73.3Confident5 Ų562.5 Ų62.53%0.02633%0.327CS..PPolyproline II helixtrans-87.2118.9169.3-56.6172.7000108.2F138 A142 C144 Q157 L167F138-I151 HydrophobicContact CD2-CB 4.26Å; F138-I151 HydrophobicContact CD2-CD1 4.34Å; F138-I151 HydrophobicContact CD2-CG2 3.74Å; F138-I151 HydrophobicContact CE2-CD1 4.06Å; F138-I151 HydrophobicContact CE2-CG2 4.01Å; A142-I151 HydrophobicContact CB-CB 4.27Å; A142-I151 PolarHBondContact O-N 2.56Å; C144-I151 HydrophobicContact CB-CD1 4.28Å; C144-I151 HydrophobicContact CB-CG1 3.92Å; I151-Q157 HydrophobicContact CG2-CB 4.02Å; I151-Q157 WeakPolarHBondContact CG2-O 3.44Å; I151-L167 HydrophobicContact CD1-CB 3.8Å
152W65.9Low74.2Confident186 Ų18656.6 Ų56.671%0.70530%0.303SS*.  trans-148.8162.3178.159.7-83.7000109.4R150R150-W152 VanDerWaalsContact O-CD1 3.26Å
153G54Low74.4Confident27 Ų2757.8 Ų57.828%0.27831%0.311SS..  trans134.2-150.1-176.300000112.1Q157G153-Q157 VanDerWaalsContact O-CG 3.3Å; G153-Q157 WeakPolarHBondContact O-CG 3.25Å; G153-Q157 PolarHBondContact O-NE2 2.99Å
154L42.4Very low74.4Confident78 Ų7853.3 Ų53.341%0.40830%0.3SS..SBendtrans-123.7151.5-163.4-46.3174.8000111.6L431 R432 L479L154-L431 WeakPolarHBondContact CD1-O 3.43Å; L154-L431 WeakPolarHBondContact CD2-O 3.16Å; L154-R432 WeakPolarHBondContact CD2-O 3.46Å; L154-L479 HydrophobicContact CD1-CD1 4.47Å
155G44.8Very low74.4Confident58 Ų5859.1 Ų59.160%0.59833%0.325SS*.SBendtrans43.573.2167.400000115.7K170G155-K170 PolarHBondContact O-NZ 3.01Å
156G52.6Low74.5Confident9 Ų959 Ų599%0.09331%0.312CS..SBendtrans7470.3-171.700000111.1K136 T137 G158 K170K136-G156 CarbonylContact O-C 3.24Å; T137-G156 PolarHBondContact OG1-N 3.17Å; G156-G158 PolarHBondContact O-N 3.35Å; G156-K170 WeakPolarHBondContact O-CE 3.47Å; G156-K170 PolarHBondContact O-NZ 3.14Å
157Q64.1Low74.6Confident44 Ų4457.6 Ų57.621%0.20631%0.307CS..  trans-55.2-28.5-168.5-64173.3-3600114.7K136 T137 F138 I151 G153K136-Q157 PolarHBondContact O-N 2.74Å; K136-Q157 VanDerWaalsContact O-N 3.12Å; T137-Q157 HydrophobicContact CG2-CG 4.22Å; F138-Q157 HydrophobicContact CD2-CB 4.38Å; F138-Q157 PolarHBondContact O-OE1 3.48Å; I151-Q157 HydrophobicContact CG2-CB 4.02Å; I151-Q157 WeakPolarHBondContact CG2-O 3.44Å; G153-Q157 VanDerWaalsContact O-CG 3.3Å; G153-Q157 WeakPolarHBondContact O-CG 3.25Å; G153-Q157 PolarHBondContact O-NE2 2.99Å
158G72.8Confident74.7Confident0 Ų055.5 Ų55.50%029%0.293CS..EExtended strand (participates in β ladder)trans-157-164.1168.600000111.5K136 G156 V168K136-G158 PolarHBondContact N-O 3Å; K136-G158 PolarHBondContact O-N 3.09Å; G156-G158 PolarHBondContact O-N 3.35Å; G158-V168 CarbonylContact C-O 3.47Å; G158-V168 VanDerWaalsContact CA-O 3.3Å; G158-V168 WeakPolarHBondContact CA-O 3.21Å
159Y85.1Confident74.6Confident16 Ų1651.6 Ų51.66%0.06326%0.264CS..EExtended strand (participates in β ladder)trans-110136.4-179.2-71.4-52.6000110.6Y126 F133 Q134 A135 L167 V168 K170 H173Y126-Y159 HydrophobicContact CD2-CD1 4.19Å; Y126-Y159 AromaticContact CD2-CE1 3.42Å; Y126-Y159 HydrophobicContact CD2-CE1 3.42Å; Y126-Y159 VanDerWaalsContact CD2-CE1 3.42Å; Y126-Y159 AromaticContact CD2-CZ 3.88Å; Y126-Y159 WeakPolarHBondContact CE1-OH 3.26Å; Y126-Y159 AromaticContact CE2-CE1 3.58Å; Y126-Y159 HydrophobicContact CE2-CE1 3.58Å; Y126-Y159 AromaticContact CG-CE1 3.99Å; Y126-Y159 HydrophobicContact CG-CE1 3.99Å; F133-Y159 HydrophobicContact CB-CD1 4.17Å; F133-Y159 HydrophobicContact CB-CG 4.02Å; F133-Y159 HydrophobicContact CG-CG 4.41Å; Q134-Y159 WeakPolarHBondContact O-CA 3.47Å; A135-Y159 HydrophobicContact CB-CD1 4.18Å; A135-Y159 HydrophobicContact CB-CE1 4.01Å; Y159-L167 WeakPolarHBondContact O-CA 3.49Å; Y159-V168 PolarHBondContact N-O 2.86Å; Y159-V168 PolarHBondContact O-N 3.44Å; Y159-K170 HydrophobicContact CD2-CG 4.34Å; Y159-K170 HydrophobicContact CE2-CB 4.21Å; Y159-K170 HydrophobicContact CE2-CG 3.89Å; Y159-H173 HydrophobicContact CD2-CB 3.82Å; Y159-H173 AromaticContact CD2-CD2 3.8Å; Y159-H173 AromaticContact CD2-CG 3.6Å; Y159-H173 AromaticContact CD2-ND1 3.94Å; Y159-H173 HydrophobicContact CE2-CB 4.43Å; Y159-H173 AromaticContact CE2-CD2 3.65Å; Y159-H173 AromaticContact CE2-CE1 3.65Å; Y159-H173 AromaticContact CE2-CG 3.71Å; Y159-H173 AromaticContact CE2-ND1 3.69Å; Y159-H173 AromaticContact CE2-NE2 3.62Å
160K84.9Confident74.6Confident85 Ų8551.6 Ų51.637%0.3726%0.262SS..EExtended strand (participates in β ladder)trans-114.1121.1170.8179164.7-170.5173.50109Q134 K136 F138 I162 L166 L167Q134-K160 PolarHBondContact N-O 3.23Å; Q134-K160 PolarHBondContact O-N 2.75Å; K136-K160 HydrophobicContact CG-CB 4.43Å; F138-K160 HydrophobicContact CE1-CB 4.11Å; F138-K160 HydrophobicContact CE1-CD 4.39Å; F138-K160 HydrophobicContact CZ-CB 4.05Å; K160-I162 PolarHBondContact O-N 2.7Å; K160-L166 CarbonylContact C-O 3.59Å; K160-L166 WeakPolarHBondContact CA-O 3.27Å; K160-L167 HydrophobicContact CB-CD2 3.75Å; K160-L167 HydrophobicContact CD-CD2 3.72Å; K160-L167 HydrophobicContact CG-CD2 3.59Å
161C85.4Confident74.6Confident0 Ų053.7 Ų53.70%027%0.27CS..EExtended strand (participates in β ladder)trans-66.3124.7173.9-179.20000109.1H131 L132 F133 S163 C164 K165 L166H131-C161 HydrophobicContact CB-CB 4.27Å; L132-C161 CarbonylContact O-C 3.41Å; L132-C161 WeakPolarHBondContact O-CA 3.45Å; F133-C161 HydrophobicContact CD1-CB 3.92Å; F133-C161 HydrophobicContact CE1-CB 3.67Å; F133-C161 HydrophobicContact CZ-CB 4.31Å; C161-S163 PolarHBondContact O-N 2.92Å; C161-C164 VanDerWaalsContact CB-SG 3.5Å; C161-C164 PolarHBondContact SG-SG 2.69Å; C161-K165 WeakPolarHBondContact O-CA 3.16Å; C161-K165 PolarHBondContact O-N 3.03Å; C161-L166 HydrophobicContact CB-CB 4.26Å; C161-L166 PolarHBondContact N-O 3.01Å
162I81.9Confident75Confident54 Ų5453.7 Ų53.728%0.27727%0.271SS..THydrogen-bonded Turntrans-66.9-27.5-177.767.9-177.9000111.7L125 L132 Q134 K160 K165L125-I162 HydrophobicContact CD1-CD1 4.2Å; L125-I162 HydrophobicContact CD2-CD1 4.37Å; L125-I162 HydrophobicContact CD2-CG2 4.11Å; L132-I162 HydrophobicContact CB-CD1 3.92Å; L132-I162 HydrophobicContact CB-CG1 3.83Å; L132-I162 HydrophobicContact CD1-CD1 4.23Å; L132-I162 PolarHBondContact O-N 3Å; Q134-I162 HydrophobicContact CB-CG2 3.84Å; K160-I162 PolarHBondContact O-N 2.7Å; I162-K165 WeakPolarHBondContact O-CE 3.46Å; I162-K165 PolarHBondContact O-NZ 2.92Å
163S81Confident75.8Confident33 Ų3345.5 Ų45.523%0.23124%0.24CC..THydrogen-bonded Turntrans-84.1-62.1-176.9-42.50000112.7C161C161-S163 PolarHBondContact O-N 2.92Å
164C82.3Confident77.1Confident49 Ų4950.9 Ų50.933%0.33125%0.252SS..THydrogen-bonded Turntrans-94.6-2-176690000114.3H131 C161 L166H131-C164 PolarHBondContact ND1-SG 3.07Å; C161-C164 VanDerWaalsContact CB-SG 3.5Å; C161-C164 PolarHBondContact SG-SG 2.69Å; C164-L166 PolarHBondContact O-N 2.93Å; C164-L166 VanDerWaalsContact O-N 3.07Å; C164-L166 VanDerWaalsContact SG-CB 3.51Å
165K85.8Confident79Confident124 Ų12452.2 Ų52.254%0.53926%0.259SS..  trans63.24-179.6-41.9-54.3-179-174.30116C161 I162 L167C161-K165 WeakPolarHBondContact O-CA 3.16Å; C161-K165 PolarHBondContact O-N 3.03Å; I162-K165 WeakPolarHBondContact O-CE 3.46Å; I162-K165 PolarHBondContact O-NZ 2.92Å; K165-L167 WeakPolarHBondContact O-CD2 3.32Å
166L87.4Confident80.7Confident46 Ų4649.8 Ų49.824%0.24123%0.232CC..  trans-48.4134.2172.7176.463.1000111.9F133 K160 C161 C164 V168 L176F133-L166 HydrophobicContact CZ-CD2 4.33Å; K160-L166 CarbonylContact C-O 3.59Å; K160-L166 WeakPolarHBondContact CA-O 3.27Å; C161-L166 HydrophobicContact CB-CB 4.26Å; C161-L166 PolarHBondContact N-O 3.01Å; C164-L166 PolarHBondContact O-N 2.93Å; C164-L166 VanDerWaalsContact O-N 3.07Å; C164-L166 VanDerWaalsContact SG-CB 3.51Å; L166-V168 HydrophobicContact CG-CG1 4.39Å; L166-L176 HydrophobicContact CD2-CD1 3.87Å; L166-L176 HydrophobicContact CD2-CD2 4.07Å
167L88.6Confident81.4Confident43 Ų4354.7 Ų54.723%0.22526%0.262CS..EExtended strand (participates in β ladder)trans-109133.5178.8-49.1-174.7000110.5F138 A142 G145 I151 Y159 K160 K165F138-L167 HydrophobicContact CE1-CD1 4.37Å; F138-L167 HydrophobicContact CE1-CD2 3.69Å; F138-L167 HydrophobicContact CZ-CD2 3.86Å; A142-L167 HydrophobicContact CB-CD1 4.18Å; G145-L167 PolarHBondContact N-O 3.44Å; I151-L167 HydrophobicContact CD1-CB 3.8Å; Y159-L167 WeakPolarHBondContact O-CA 3.49Å; K160-L167 HydrophobicContact CB-CD2 3.75Å; K160-L167 HydrophobicContact CD-CD2 3.72Å; K160-L167 HydrophobicContact CG-CD2 3.59Å; K165-L167 WeakPolarHBondContact O-CD2 3.32Å
168V87.2Confident81.8Confident0 Ų058.2 Ų58.20%028%0.282CS..EExtended strand (participates in β ladder)trans-146.3155.6175.6-70.50000112F133 C144 H146 G158 Y159 L166 C172 H173 L176F133-V168 HydrophobicContact CD1-CG2 4.29Å; F133-V168 HydrophobicContact CE1-CG2 3.72Å; F133-V168 HydrophobicContact CZ-CG2 3.92Å; C144-V168 VanDerWaalsContact SG-CA 3.58Å; H146-V168 HydrophobicContact CB-CG1 4.33Å; G158-V168 CarbonylContact C-O 3.47Å; G158-V168 VanDerWaalsContact CA-O 3.3Å; G158-V168 WeakPolarHBondContact CA-O 3.21Å; Y159-V168 PolarHBondContact N-O 2.86Å; Y159-V168 PolarHBondContact O-N 3.44Å; L166-V168 HydrophobicContact CG-CG1 4.39Å; V168-C172 HydrophobicContact CB-CB 4.37Å; V168-H173 HydrophobicContact CG2-CB 3.66Å; V168-L176 HydrophobicContact CG1-CD1 4.06Å; V168-L176 HydrophobicContact CG1-CD2 4.02Å; V168-L176 HydrophobicContact CG1-CG 4.31Å; V168-L176 HydrophobicContact CG2-CD1 4.45Å
169H82.8Confident81.9Confident16 Ų1663 Ų637%0.07431%0.312CS..EExtended strand (participates in β ladder)trans-64.1156.5168.6-55.995.3000111.7C144 C147 E149 R150 R171 C172 H173C144-H169 WeakPolarHBondContact CB-CE1 3.48Å; C144-H169 WeakPolarHBondContact CB-ND1 3.12Å; C144-H169 PolarHBondContact SG-N 3.12Å; C144-H169 PolarHBondContact SG-ND1 3.1Å; C147-H169 VanDerWaalsContact SG-CE1 3.5Å; E149-H169 IonicContact OE2-CE1 2.72Å; R150-H169 PolarHBondContact O-NE2 2.77Å; H169-R171 HydrophobicContact CB-CG 3.91Å; H169-R171 PolarHBondContact O-N 2.93Å; H169-C172 HydrophobicContact CB-CB 4.28Å; H169-C172 PolarHBondContact O-N 2.81Å; H169-H173 PolarHBondContact O-N 2.94Å
170K81.7Confident81.6Confident91 Ų9162.6 Ų62.640%0.39631%0.311SS..THydrogen-bonded Turntrans-49.7-37165.6-77.5169.8169.7158.10112.6G155 G156 Y159 H173G155-K170 PolarHBondContact O-NZ 3.01Å; G156-K170 WeakPolarHBondContact O-CE 3.47Å; G156-K170 PolarHBondContact O-NZ 3.14Å; Y159-K170 HydrophobicContact CD2-CG 4.34Å; Y159-K170 HydrophobicContact CE2-CB 4.21Å; Y159-K170 HydrophobicContact CE2-CG 3.89Å; K170-H173 PolarHBondContact O-CE1 2.94Å; K170-H173 PolarHBondContact O-ND1 3.43Å
171R81.6Confident80.5Confident164 Ų16467.1 Ų67.162%0.61933%0.334SS*.THydrogen-bonded Turntrans-73-28.4176.272.8-176.7-178.7-178.62.6114.7E149 H169E149-R171 IonicContact OE1-NH2 3.78Å; E149-R171 PolarHBondContact OE1-NH2 2.97Å; E149-R171 IonicContact OE2-CZ 2.78Å; E149-R171 IonicContact OE2-NH2 2.65Å; E149-R171 PolarHBondContact OE2-NH2 2.92Å; H169-R171 HydrophobicContact CB-CG 3.91Å; H169-R171 PolarHBondContact O-N 2.93Å
172C82.3Confident79Confident5 Ų576.5 Ų76.53%0.03437%0.369CS..THydrogen-bonded Turntrans-95.6-19-169.2-64.60000114.8H146 V168 H169 R174 L175H146-C172 HydrophobicContact CB-CB 4.11Å; V168-C172 HydrophobicContact CB-CB 4.37Å; H169-C172 HydrophobicContact CB-CB 4.28Å; H169-C172 PolarHBondContact O-N 2.81Å; C172-R174 VanDerWaalsContact C-N 3.3Å; C172-R174 PolarHBondContact O-N 2.72Å; C172-L175 WeakPolarHBondContact O-CB 3.36Å; C172-L175 PolarHBondContact O-N 3.24Å
173H83.8Confident77.3Confident13 Ų1378.7 Ų78.76%0.0638%0.381CS..G310 helixtrans-57.9-37.2-174.174.3-54.6000114.4V128 F133 Y159 V168 H169 K170 L175V128-H173 WeakPolarHBondContact CG1-O 3.39Å; F133-H173 HydrophobicContact CD2-CB 4.28Å; F133-H173 HydrophobicContact CE2-CB 4.2Å; Y159-H173 HydrophobicContact CD2-CB 3.82Å; Y159-H173 AromaticContact CD2-CD2 3.8Å; Y159-H173 AromaticContact CD2-CG 3.6Å; Y159-H173 AromaticContact CD2-ND1 3.94Å; Y159-H173 HydrophobicContact CE2-CB 4.43Å; Y159-H173 AromaticContact CE2-CD2 3.65Å; Y159-H173 AromaticContact CE2-CE1 3.65Å; Y159-H173 AromaticContact CE2-CG 3.71Å; Y159-H173 AromaticContact CE2-ND1 3.69Å; Y159-H173 AromaticContact CE2-NE2 3.62Å; V168-H173 HydrophobicContact CG2-CB 3.66Å; H169-H173 PolarHBondContact O-N 2.94Å; K170-H173 PolarHBondContact O-CE1 2.94Å; K170-H173 PolarHBondContact O-ND1 3.43Å; H173-L175 PolarHBondContact O-N 3.34Å
174R81.2Confident75.3Confident141 Ų14185.4 Ų85.453%0.53241%0.41SS..G310 helixtrans-69.9-13.8174.9-71.8178.3178.7171.4-3.6114.5D30 C172D30-R174 IonicContact OD1-NH2 2.71Å; D30-R174 PolarHBondContact OD1-NH2 2.95Å; D30-R174 IonicContact OD2-CZ 3.72Å; D30-R174 VanDerWaalsContact OD2-CZ 3.26Å; D30-R174 IonicContact OD2-NE 3.78Å; D30-R174 PolarHBondContact OD2-NE 3.31Å; D30-R174 VanDerWaalsContact OD2-NE 3.1Å; D30-R174 IonicContact OD2-NH2 2.72Å; D30-R174 PolarHBondContact OD2-NH2 2.99Å; C172-R174 VanDerWaalsContact C-N 3.3Å; C172-R174 PolarHBondContact O-N 2.72Å
175L82.3Confident72.9Confident106 Ų10690.5 Ų90.556%0.55544%0.435SS*.G310 helixtrans-99.88.2-175.9-54.9178.4000113H146 C172 H173 P177H146-L175 VanDerWaalsContact CE1-CB 3.41Å; H146-L175 WeakPolarHBondContact CE1-CB 3.32Å; H146-L175 PolarHBondContact CE1-O 3.07Å; H146-L175 PolarHBondContact ND1-O 3.29Å; H146-L175 WeakPolarHBondContact NE2-CB 3.49Å; C172-L175 WeakPolarHBondContact O-CB 3.36Å; C172-L175 PolarHBondContact O-N 3.24Å; H173-L175 PolarHBondContact O-N 3.34Å; L175-P177 VanDerWaalsContact O-CD 3.27Å; L175-P177 WeakPolarHBondContact O-CD 3.16Å
176L80.4Confident70.9Confident6 Ų690.6 Ų90.63%0.03145%0.448CS..  trans-76.1114.5-177.6-77.2170.7000112.1N129 F133 H146 L166 V168 L178N129-L176 PolarHBondContact ND2-O 2.96Å; F133-L176 HydrophobicContact CE2-CD1 3.8Å; F133-L176 HydrophobicContact CZ-CD1 3.44Å; F133-L176 VanDerWaalsContact CZ-CD1 3.44Å; H146-L176 HydrophobicContact CB-CD2 4.03Å; L166-L176 HydrophobicContact CD2-CD1 3.87Å; L166-L176 HydrophobicContact CD2-CD2 4.07Å; V168-L176 HydrophobicContact CG1-CD1 4.06Å; V168-L176 HydrophobicContact CG1-CD2 4.02Å; V168-L176 HydrophobicContact CG1-CG 4.31Å; V168-L176 HydrophobicContact CG2-CD1 4.45Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-L178 PolarHBondContact O-N 3.07Å
177P67.3Low68.2Low112 Ų11294.7 Ų94.773%0.72747%0.474SS*.  trans-79.5-13.8177.733.8-36.1000113.2L175L175-P177 VanDerWaalsContact O-CD 3.27Å; L175-P177 WeakPolarHBondContact O-CD 3.16Å
178L71.4Confident65.4Low118 Ų118101.3 Ų101.362%0.61851%0.506SS*.SBendtrans-95.7122.3-175.2-72.9165.2000111.2H131 L176H131-L178 PolarHBondContact NE2-O 3.28Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-L178 PolarHBondContact O-N 3.07Å
179T76.3Confident62.7Low101 Ų101107.2 Ų107.262%0.6255%0.545SS*.  trans-68.3154.5171.148.80000111.7N129 Q181N129-T179 WeakPolarHBondContact O-CA 3.47Å; T179-Q181 PolarHBondContact O-N 2.88Å
180C79Confident60.2Low8 Ų8112.1 Ų112.15%0.05458%0.581CS.*  trans-70.699.7-179.7-176.50000111.8N129 G130 H131 R182 L183N129-C180 PolarHBondContact O-N 3.43Å; G130-C180 VanDerWaalsContact C-CB 3.48Å; G130-C180 VanDerWaalsContact O-CB 3.28Å; G130-C180 WeakPolarHBondContact O-CB 3.45Å; H131-C180 HydrophobicContact CB-CB 4.44Å; H131-C180 PolarHBondContact NE2-N 2.65Å; C180-R182 PolarHBondContact O-N 2.99Å; C180-L183 PolarHBondContact O-N 2.9Å
181Q61.8Low57.8Low180 Ų180117 Ų11784%0.84161%0.605SS**THydrogen-bonded Turntrans-589.9-178.4-66.5-179.7-25.800116.8T179T179-Q181 PolarHBondContact O-N 2.88Å
182R52.6Low55.2Low197 Ų197117.8 Ų117.874%0.74362%0.616SS**THydrogen-bonded Turntrans-123.519.9178.4-135.7176.9-170.4174.43.5113.6C180C180-R182 PolarHBondContact O-N 2.99Å
183L46.4Very low53.1Low100 Ų100123 Ų12352%0.52465%0.649SS.*  trans-124.134.5175.1-96167.7000112.6G130 C180G130-L183 VanDerWaalsContact O-CD1 3.29Å; G130-L183 WeakPolarHBondContact O-CD1 3.37Å; C180-L183 PolarHBondContact O-N 2.9Å
184M39.3Very low51.1Low173 Ų173128 Ų12885%0.85268%0.683SS**  trans-125.875.5162.7-62.6-161.177.800109.2
185D31.3Very low48.5Very low157 Ų157126.1 Ų126.184%0.8470%0.698SS**  trans-173.2133.8130.8-94.4-23.9000110.6
186P44.5Very low45.9Very low126 Ų126128.7 Ų128.782%0.81871%0.712SS**  trans-106.370.8-172.539.8-34.4000113.8
187V31.3Very low43.5Very low132 Ų132132.4 Ų132.480%0.874%0.743SS**  trans-134.8125.7168.7-175.20000111
188M29.2Very low41.6Very low181 Ų181135.9 Ų135.989%0.89275%0.747SS**  trans-100.9129.4169.2-70.8-90.1-84.700109.1
189P29.5Very low39.5Very low124 Ų124140.4 Ų140.481%0.80576%0.756SS**  trans-80.3132.3157.9-8.226.1000109.9
190S31.6Very low37.2Very low120 Ų120142.2 Ų142.284%0.83976%0.757SS**  trans-93.5-175.8173.651.20000112.3
191Q31.1Very low34.6Very low192 Ų192150 Ų15090%0.89779%0.793SS**  trans-66.3169-160-68.9159.9-48.500117.5
192E26.6Very low33Very low182 Ų182147.3 Ų147.385%0.8579%0.788SS**  trans-48.8-175.4-178.6-54.7176.3166.800118.4
193P38Very low31.7Very low113 Ų113144.7 Ų144.773%0.73479%0.789SS**  -129.6-143.2-55.640.2-22.7000109.3
194P42.3Very low30.7Very low119 Ų119145.9 Ų145.977%0.77380%0.801SS**  cis-120-178-38.840.8-27.2000113
195A26.3Very low31.1Very low102 Ų102142.9 Ų142.984%0.84379%0.794SS**  trans168.1161.6141.300000114.9
196D28.3Very low32Very low160 Ų160140.7 Ų140.786%0.85679%0.788SS**  trans-64.9150.8-178.7-65.1-84.4000117.5
197A29.5Very low31.4Very low83 Ų83141.4 Ų141.469%0.68679%0.785SS**  155126.9100.300000116.4
198K28.2Very low31.4Very low186 Ų186142.1 Ų142.181%0.80978%0.784SS**  trans61.1125.8146.8-63.3176.4-177.3175.20119.6
199R27.2Very low31.5Very low213 Ų213138.1 Ų138.180%0.80477%0.77SS**  66.1150101-58.7-161.3-172-174.7-6.6115.7
200E26.8Very low31.6Very low138 Ų138140.2 Ų140.265%0.64577%0.769SS**  cis-136.3141.26.9-107.1123-145.400107.2
201E25.8Very low31.5Very low173 Ų173140.6 Ų140.681%0.80876%0.762SS**  67.4124.588.7-79.4-173.118000118.6
202V27.7Very low31.3Very low122 Ų122136.6 Ų136.674%0.73975%0.751SS**  trans76.8143.2135.7171.70000118
203D24.1Very low31.2Very low143 Ų143134.5 Ų134.577%0.76575%0.745SS**  cis-145.8-178.511.3-142.9-24.5000114.9
204V25.9Very low30.5Very low125 Ų125137 Ų13776%0.75875%0.745SS**  trans-100.6-148.6166.7-129.70000109.2
205P48.6Very low29.7Very low110 Ų110138.5 Ų138.571%0.71474%0.74SS**  cis-116.1-141.2-29.537.6-16.5000109.2
206P48.8Very low29.6Very low110 Ų110138.1 Ų138.171%0.71474%0.737SS**  cis-112.9156.1-21.510.815.7000113.9
207D33.4Very low29.3Very low141 Ų141136.5 Ų136.575%0.75473%0.732SS**  70.9150.885.1-127.61.7000112.3
208D30Very low29Very low147 Ų147136.9 Ų136.979%0.78673%0.73SS**  cis-110.4178.516.7-10.8-106000112.9
209T31.9Very low28.6Very low97 Ų97136.6 Ų136.660%0.59573%0.729SS**  cis-171.7150-24.628.90000110.4
210E31.3Very low28.4Very low169 Ų169133.6 Ų133.679%0.7973%0.728SS**  trans63147.1142.6-66.8168.7-178.200121.8
211D29Very low28.6Very low127 Ų127132 Ų13268%0.67973%0.729SS**  cis-157.6151.710-145-4.3000116.1
212T27.1Very low28.5Very low108 Ų108132.8 Ų132.866%0.66373%0.733SS**  trans51.5155.4161.762.60000121.6
213D24.4Very low28.3Very low138 Ų138134.9 Ų134.974%0.73874%0.74SS**  cis-170.8155.1-21.6-101.3-13.6000108
214F23.9Very low28.3Very low167 Ų167134.3 Ų134.373%0.73275%0.746SS**  cis-156.2150.9-24.1-163-96000109.6
215F24.8Very low28Very low150 Ų150132.6 Ų132.666%0.65874%0.744SS**  trans-23.9150176.8-66.5-102.6000119.3V217F215-V217 HydrophobicContact CB-CG2 4.42Å; F215-V217 HydrophobicContact CD1-CG2 4.2Å
216A24.4Very low26.9Very low94 Ų94133.7 Ų133.778%0.77775%0.749SS**  61.4157.758.800000112.8
217V23.6Very low25.6Very low125 Ų125135.1 Ų135.176%0.75875%0.75SS**  cis-153.2174.749.7179.10000111.7F215F215-V217 HydrophobicContact CB-CG2 4.42Å; F215-V217 HydrophobicContact CD1-CG2 4.2Å
218S21.6Very low25.1Very low91 Ų91136.9 Ų136.964%0.63675%0.751SS**  trans-94178-170.3-47.10000117.3
219F21.3Very low24.8Very low181 Ų181141.7 Ų141.779%0.79476%0.758SS**  trans88109.6149.5-64.8-60.3000123
220L21.9Very low24.4Very low150 Ų150140.3 Ų140.379%0.78576%0.763SS**  trans64.7-178131.3-61.2168.4000117.5
221P31.6Very low24.1Very low104 Ų104139.8 Ų139.868%0.67577%0.766SS**  -129149.1-84.337.8-22000113.3
222H22.7Very low24Very low190 Ų190140.6 Ų140.688%0.8878%0.775SS**  trans-135.3127.7175.2-95.936.7000113.8
223N24.4Very low24Very low165 Ų165143.5 Ų143.588%0.88278%0.781SS**  trans-73.8141.7158.4-72.7-27.3000109.4
224C23.3Very low24.1Very low132 Ų132141.8 Ų141.889%0.89278%0.776SS**  trans-149.5151.6154.2-102.30000109.4
225A20.4Very low24.2Very low88 Ų88142.2 Ų142.273%0.72778%0.78SS**  trans-143.7165178.500000109.6
226V24.7Very low24.2Very low134 Ų134142.2 Ų142.281%0.81279%0.787SS**  trans74.2141.7175.9-168.30000111.7
227D22.1Very low24.4Very low139 Ų139145.1 Ų145.174%0.74379%0.788SS**  cis-137.4-170.614.6-143.9-26.8000114.6
228K22.6Very low24.4Very low179 Ų179149.3 Ų149.378%0.77880%0.796SS**  trans-97.2174.3-167-61.5168.3177.4177.80115.8
229R23.2Very low24.6Very low247 Ų247149.4 Ų149.493%0.93280%0.803SS**  trans107.7141.7156.5-58.9174.3-163.8-96.93.6114.2
230G25.1Very low25Very low68 Ų68147.7 Ų147.770%0.70181%0.807SS**  cis-155.1173.85.100000114.1
231D24Very low25.4Very low159 Ų159147.2 Ų147.285%0.8581%0.81SS**  trans-88.1149.9-162.4-40.3-96.8000113.9
232V27.2Very low25.2Very low143 Ų143150.6 Ų150.687%0.86782%0.822SS**  trans-139.3129.5144.2-1760000109.2
233E27.6Very low25.5Very low169 Ų169145.2 Ų145.279%0.7982%0.818SS**  trans-40.1163.8168.5-74.6158.1175.600116.5
234T25.8Very low25.8Very low103 Ų103144.9 Ų144.963%0.63282%0.815SS**  cis-157.9165.720.6-10.60000111.2
235E24.9Very low26.2Very low175 Ų175147 Ų14782%0.81882%0.817SS**  trans37.5127.2147.9-71.6152.8-166.500119.4
236D25.7Very low26.6Very low151 Ų151146.2 Ų146.281%0.80782%0.818SS**  -162.4-177.264.1-151.2-20.6000113.1
237I28.4Very low26.8Very low155 Ų155146.3 Ų146.380%0.79581%0.812SS**  trans66.979174.2-41.3177.9000115.8
238K24.1Very low27Very low212 Ų212149.4 Ų149.492%0.92282%0.819SS**  trans-144.668.5155.3-164.1-178.7178.7-179.70112.6
239A26.3Very low27.5Very low94 Ų94148.1 Ų148.178%0.77782%0.82SS**  trans-148.633-173.100000116.9
240V29.6Very low28.1Very low144 Ų144141.4 Ų141.487%0.87381%0.811SS**  trans-144.568.8159.4-165.30000111
241V30Very low28.5Very low141 Ų141147.3 Ų147.386%0.85582%0.82SS**  trans-140.877.5164.6-172.50000109.1
242D26.6Very low29.5Very low174 Ų174143 Ų14393%0.9381%0.814SS**  trans-155.5109.3165.5-95.4-44.3000106.1
243G28.5Very low30.9Very low78 Ų78142 Ų14280%0.80481%0.808SS**SBendtrans1490.7178.200000119.7
244I31.2Very low33.1Very low157 Ų157139.1 Ų139.181%0.80580%0.802SS**  trans-130.958.5173.9-42.3-179.1000111.4
245D31.5Very low36Very low177 Ų177135.8 Ų135.895%0.94778%0.78SS**  trans-109.199.8160.9-101.8-45.5000108
246G29.6Very low39.3Very low72 Ų72128.4 Ų128.474%0.74275%0.752SS**  trans173.7-35.1-178.600000116.4K248G246-K248 PolarHBondContact O-N 2.99Å
247I29.3Very low42.5Very low135 Ų135123.9 Ų123.969%0.69273%0.727SS**  trans-8596.5176.9-53.6-179.6000109.2L249I247-L249 HydrophobicContact CG2-CD1 4.04Å; I247-L249 PolarHBondContact O-N 3.37Å; I247-L249 VanDerWaalsContact O-N 3.11Å
248K26.8Very low45.6Very low205 Ų205119.3 Ų119.389%0.89172%0.718SS**  trans-71.197.3160.2-71.5-177.3178.2-179.80108.1G246 S250G246-K248 PolarHBondContact O-N 2.99Å; K248-S250 PolarHBondContact O-N 3.37Å
249L33Very low49Very low152 Ų152112.4 Ų112.480%0.79669%0.692SS**PPolyproline II helixtrans-56.4122.9164.8-78.983.6000107.9I247I247-L249 HydrophobicContact CG2-CD1 4.04Å; I247-L249 PolarHBondContact O-N 3.37Å; I247-L249 VanDerWaalsContact O-N 3.11Å
250S33.9Very low52.3Low106 Ų106108.2 Ų108.274%0.74166%0.656SS**PPolyproline II helixtrans-62.5149168.8430000109.9K248 G252K248-S250 PolarHBondContact O-N 3.37Å; S250-G252 PolarHBondContact O-N 3.37Å
251Q35.3Very low55.5Low191 Ų191106 Ų10689%0.89364%0.636SS**SBendtrans-54.6134.8177.9-66.2165.1-82.200110.1T253Q251-T253 PolarHBondContact O-N 3.01Å
252G43.7Very low58.7Low69 Ų69101.8 Ų101.871%0.71161%0.608SS**PPolyproline II helixtrans-60.4127.6-159.500000114.6S250 T254S250-G252 PolarHBondContact O-N 3.37Å; G252-T254 PolarHBondContact O-N 2.87Å; G252-T254 VanDerWaalsContact O-N 3.1Å
253T57.3Low61.9Low123 Ų12394.6 Ų94.676%0.75557%0.569SS**  trans-73.592.5166.242.90000110Q251 L255 I589Q251-T253 PolarHBondContact O-N 3.01Å; T253-L255 PolarHBondContact O-N 3.48Å; T253-I589 WeakPolarHBondContact O-CD1 3.43Å
254T72.8Confident65.1Low108 Ų10895.1 Ų95.166%0.66355%0.547SS*.  trans-66.7118.3163.849.90000109.3G252G252-T254 PolarHBondContact O-N 2.87Å; G252-T254 VanDerWaalsContact O-N 3.1Å
255L87.9Confident68Low32 Ų3287.7 Ų87.717%0.16851%0.509CS..  trans-63.1145.2172.6-71.2167.2000110.7T253 D259 L279 F328 I589T253-L255 PolarHBondContact O-N 3.48Å; L255-D259 WeakPolarHBondContact CA-OD2 3.17Å; L255-D259 HydrophobicContact CD2-CB 4.13Å; L255-L279 HydrophobicContact CD2-CD1 4.04Å; L255-F328 WeakPolarHBondContact O-CB 3.28Å; L255-I589 HydrophobicContact CD1-CD1 4.05Å; L255-I589 HydrophobicContact CD1-CG1 4.28Å; L255-I589 HydrophobicContact CD1-CG2 4.42Å; L255-I589 HydrophobicContact CG-CD1 4.02Å
256G92.9Very high70.8Confident21 Ų2179.9 Ų79.922%0.21647%0.467CS..  trans-142.7177.2175.100000112.8G258 D259 F260G256-G258 PolarHBondContact O-N 3.28Å; G256-D259 PolarHBondContact N-OD2 2.66Å; G256-D259 WeakPolarHBondContact O-CB 3.27Å; G256-D259 PolarHBondContact O-N 2.64Å; G256-F260 WeakPolarHBondContact O-CD2 3.44Å
257L93.7Very high73.5Confident55 Ų5577 Ų7729%0.28844%0.438SS..G310 helixtrans-58.1-26.1-175.4-171.460.2000113.5D259 F260 L262 M288 F328 F335 L567L257-D259 VanDerWaalsContact C-N 3.28Å; L257-D259 PolarHBondContact O-N 2.98Å; L257-F260 PolarHBondContact O-N 2.68Å; L257-L262 HydrophobicContact CD1-CD2 4.29Å; L257-M288 HydrophobicContact CD1-CE 4.41Å; L257-M288 HydrophobicContact CD1-SD 4.16Å; L257-F328 HydrophobicContact CB-CE2 3.9Å; L257-F328 HydrophobicContact CB-CZ 4.36Å; L257-F328 HydrophobicContact CD1-CZ 4.42Å; L257-F328 VanDerWaalsContact N-CE2 3.29Å; L257-F335 HydrophobicContact CD1-CD1 4.31Å; L257-F335 HydrophobicContact CD1-CE1 3.82Å; L257-F335 HydrophobicContact CD1-CZ 4.34Å; L257-F335 HydrophobicContact CD2-CE1 4.24Å; L257-F335 HydrophobicContact CD2-CZ 4.01Å; L257-L567 HydrophobicContact CD2-CD1 3.83Å
258G94.1Very high76Confident60 Ų6077.5 Ų77.562%0.61943%0.431SS*.G310 helixtrans-65.8-25.5176.700000114.5G256 F260 K280G256-G258 PolarHBondContact O-N 3.28Å; G258-F260 VanDerWaalsContact C-N 3.29Å; G258-F260 PolarHBondContact O-N 3.17Å; G258-K280 PolarHBondContact O-NZ 3.34Å
259D95.3Very high78Confident67 Ų6769.7 Ų69.736%0.35841%0.409SS..G310 helixtrans-79.8-12.2-178-55.9-52.4000112.9L255 G256 L257 L279 K280L255-D259 WeakPolarHBondContact CA-OD2 3.17Å; L255-D259 HydrophobicContact CD2-CB 4.13Å; G256-D259 PolarHBondContact N-OD2 2.66Å; G256-D259 WeakPolarHBondContact O-CB 3.27Å; G256-D259 PolarHBondContact O-N 2.64Å; L257-D259 VanDerWaalsContact C-N 3.28Å; L257-D259 PolarHBondContact O-N 2.98Å; D259-L279 HydrophobicContact CB-CD1 4.11Å; D259-K280 WeakPolarHBondContact O-CB 3.46Å; D259-K280 WeakPolarHBondContact O-CD 3.25Å; D259-K280 VanDerWaalsContact O-CG 3.3Å; D259-K280 WeakPolarHBondContact O-CG 3.38Å; D259-K280 PolarHBondContact O-N 2.95Å
260F96.3Very high79.5Confident6 Ų667.8 Ų67.83%0.02641%0.408CS..EExtended strand (participates in β ladder)trans-106.9143.5-177.7-64.4-89.3000112.4G256 L257 G258 V277 R278 L279 K280 F286 M288 F328 V337G256-F260 WeakPolarHBondContact O-CD2 3.44Å; L257-F260 PolarHBondContact O-N 2.68Å; G258-F260 VanDerWaalsContact C-N 3.29Å; G258-F260 PolarHBondContact O-N 3.17Å; F260-V277 HydrophobicContact CB-CB 4.45Å; F260-V277 HydrophobicContact CD1-CB 4.24Å; F260-V277 HydrophobicContact CD1-CG2 3.81Å; F260-V277 HydrophobicContact CE1-CG2 4.37Å; F260-R278 CarbonylContact C-O 3.52Å; F260-R278 VanDerWaalsContact CA-O 3.28Å; F260-R278 WeakPolarHBondContact CA-O 3.46Å; F260-L279 HydrophobicContact CD1-CB 4.24Å; F260-L279 HydrophobicContact CD1-CD1 4.41Å; F260-L279 HydrophobicContact CE1-CB 3.95Å; F260-L279 HydrophobicContact CE1-CD1 3.98Å; F260-L279 HydrophobicContact CE1-CG 4.45Å; F260-L279 HydrophobicContact CE2-CD1 4.4Å; F260-L279 HydrophobicContact CZ-CD1 3.96Å; F260-K280 VanDerWaalsContact O-CE 3.32Å; F260-K280 WeakPolarHBondContact O-CE 3.49Å; F260-K280 PolarHBondContact O-NZ 3.14Å; F260-F286 HydrophobicContact CE1-CD2 4.46Å; F260-M288 HydrophobicContact CB-CE 3.92Å; F260-M288 HydrophobicContact CD1-CE 3.96Å; F260-M288 HydrophobicContact CD2-CE 3.72Å; F260-M288 HydrophobicContact CE1-CE 4.45Å; F260-M288 HydrophobicContact CE2-CE 4.25Å; F260-M288 HydrophobicContact CG-CE 3.57Å; F260-F328 AromaticContact CD2-CE1 3.94Å; F260-F328 HydrophobicContact CD2-CE1 3.94Å; F260-F328 HydrophobicContact CD2-CZ 4.11Å; F260-F328 HydrophobicContact CE2-CD1 4.33Å; F260-F328 AromaticContact CE2-CE1 3.5Å; F260-F328 HydrophobicContact CE2-CE1 3.5Å; F260-F328 HydrophobicContact CE2-CZ 4.14Å; F260-F328 HydrophobicContact CZ-CE1 4.3Å; F260-V337 HydrophobicContact CE1-CG1 3.92Å; F260-V337 HydrophobicContact CE1-CG2 4.18Å; F260-V337 HydrophobicContact CE2-CG2 4.28Å; F260-V337 HydrophobicContact CZ-CG1 4.16Å; F260-V337 HydrophobicContact CZ-CG2 3.8Å
261E96.5Very high81.1Confident98 Ų9868.8 Ų68.846%0.45840%0.396SS..EExtended strand (participates in β ladder)trans-93.1139159.7179.7171.3-154.300109.3I263 V277 R278E261-I263 HydrophobicContact CG-CG1 4.32Å; E261-V277 CarbonylContact O-C 3.54Å; E261-V277 WeakPolarHBondContact O-CA 3.46Å; E261-V277 WeakPolarHBondContact O-CB 3.24Å; E261-R278 HydrophobicContact CB-CB 4.44Å; E261-R278 PolarHBondContact N-O 2.84Å; E261-R278 PolarHBondContact O-N 3.05Å
262L96.5Very high83.2Confident52 Ų5260.3 Ų60.327%0.27236%0.359SS..EExtended strand (participates in β ladder)trans-99.8114.9178.7-49.5-177.4000108.8L257 L275 V277 M288 V565L257-L262 HydrophobicContact CD1-CD2 4.29Å; L262-L275 HydrophobicContact CD1-CD1 4.11Å; L262-L275 HydrophobicContact CD2-CD1 4.01Å; L262-L275 HydrophobicContact CG-CD1 4.5Å; L262-V277 HydrophobicContact CD2-CG1 3.57Å; L262-M288 HydrophobicContact CD2-SD 4.36Å; L262-V565 HydrophobicContact CB-CG1 3.85Å; L262-V565 WeakPolarHBondContact O-CG1 3.33Å
263I94.8Very high85.4Confident22 Ų2258.4 Ų58.411%0.11333%0.331CS..EExtended strand (participates in β ladder)trans-101.6-40.4-168.2-64.9177.3000112.4E261 L276 R278 Y551E261-I263 HydrophobicContact CG-CG1 4.32Å; I263-L276 HydrophobicContact CB-CB 4.48Å; I263-L276 HydrophobicContact CB-CD2 4.44Å; I263-L276 HydrophobicContact CB-CG 4.23Å; I263-L276 HydrophobicContact CG2-CD2 4.01Å; I263-L276 HydrophobicContact CG2-CG 4.35Å; I263-L276 PolarHBondContact N-O 2.71Å; I263-R278 HydrophobicContact CD1-CB 3.61Å; I263-Y551 HydrophobicContact CD1-CE1 3.83Å; I263-Y551 HydrophobicContact CG2-CE1 4.16Å; I263-Y551 HydrophobicContact CG2-CE2 4.23Å
264R94.6Very high87Confident90 Ų9054.1 Ų54.134%0.3431%0.305SS..EExtended strand (participates in β ladder)trans-156.8160.3-176.2-155.648.340.5153.82.4112.1I266 L275 L276 L553 T561R264-I266 HydrophobicContact CB-CG2 4.24Å; R264-I266 HydrophobicContact CG-CG2 4.38Å; R264-L275 CarbonylContact O-C 3.51Å; R264-L275 VanDerWaalsContact O-CA 3.28Å; R264-L275 WeakPolarHBondContact O-CA 3.31Å; R264-L276 HydrophobicContact CB-CB 3.85Å; R264-L276 HydrophobicContact CB-CD2 4.18Å; R264-L276 PolarHBondContact N-O 3.35Å; R264-L276 PolarHBondContact O-N 3.1Å; R264-L553 HydrophobicContact CB-CD1 4.37Å; R264-L553 HydrophobicContact CB-CD2 4.19Å; R264-L553 HydrophobicContact CG-CD1 3.93Å; R264-L553 HydrophobicContact CG-CD2 3.77Å; R264-T561 WeakPolarHBondContact CD-O 3.48Å; R264-T561 HydrophobicContact CG-CG2 4.2Å; R264-T561 PolarHBondContact NH1-O 2.76Å
265V93.1Very high88.1Confident0 Ų049 Ų490%027%0.273CS..EExtended strand (participates in β ladder)trans-94.6125161.4-175.30000107.3K273 L275 F560 T561 E563V265-K273 HydrophobicContact CG1-CD 4.41Å; V265-K273 VanDerWaalsContact CG1-CE 3.4Å; V265-K273 HydrophobicContact CG1-CG 4.19Å; V265-L275 HydrophobicContact CB-CD2 4.34Å; V265-L275 HydrophobicContact CG2-CD2 3.82Å; V265-F560 WeakPolarHBondContact CB-O 3.47Å; V265-F560 HydrophobicContact CG1-CB 4.41Å; V265-F560 CarbonylContact O-C 3.58Å; V265-F560 VanDerWaalsContact O-C 3.32Å; V265-T561 WeakPolarHBondContact O-CA 3.22Å; V265-T561 PolarHBondContact O-N 2.86Å; V265-E563 HydrophobicContact CB-CB 3.92Å; V265-E563 HydrophobicContact CG1-CB 4.12Å; V265-E563 HydrophobicContact CG2-CB 3.73Å
266I90.2Very high88.5Confident14 Ų1447.5 Ų47.57%0.07227%0.265CS..EExtended strand (participates in β ladder)trans-116.3-11.4-175.256.9174.2000113.5R264 V274 L276 A287 Y340 L553 F556R264-I266 HydrophobicContact CB-CG2 4.24Å; R264-I266 HydrophobicContact CG-CG2 4.38Å; I266-V274 HydrophobicContact CD1-CG1 3.98Å; I266-V274 HydrophobicContact CG1-CB 4.19Å; I266-V274 HydrophobicContact CG1-CG1 3.8Å; I266-V274 PolarHBondContact N-O 3.12Å; I266-L276 HydrophobicContact CD1-CB 4.34Å; I266-L276 HydrophobicContact CG2-CB 3.84Å; I266-A287 HydrophobicContact CD1-CB 4.02Å; I266-Y340 HydrophobicContact CD1-CD2 4.09Å; I266-Y340 HydrophobicContact CD1-CE2 3.82Å; I266-L553 HydrophobicContact CG2-CD2 3.88Å; I266-F556 HydrophobicContact CB-CD1 3.79Å; I266-F556 HydrophobicContact CB-CE1 4Å; I266-F556 HydrophobicContact CB-CG 4.42Å; I266-F556 HydrophobicContact CD1-CE1 4.36Å; I266-F556 HydrophobicContact CG2-CD1 4.25Å; I266-F556 HydrophobicContact CG2-CE1 4.46Å; I266-F556 HydrophobicContact CG2-CG 4.45Å
267G85.6Confident88.7Confident12 Ų1246.5 Ų46.512%0.12426%0.255CS..EExtended strand (participates in β ladder)trans-173.3170.8174.200000115.2V274G267-V274 PolarHBondContact N-O 3.39Å; G267-V274 PolarHBondContact O-N 3.2Å
268R82.3Confident88.8Confident145 Ų14545.5 Ų45.555%0.54725%0.247SC..EExtended strand (participates in β ladder)trans-134.7133.7167-76.5-175.4175.8-105.1-2.4110.4A272 F560 E563R268-A272 WeakPolarHBondContact CA-O 3.3Å; R268-F560 HydrophobicContact CB-CE1 3.98Å; R268-F560 HydrophobicContact CG-CD1 4.34Å; R268-F560 HydrophobicContact CG-CE1 4.19Å; R268-E563 IonicContact CZ-OE1 3.62Å; R268-E563 IonicContact NE-OE1 3.69Å; R268-E563 PolarHBondContact NE-OE1 2.99Å; R268-E563 IonicContact NH2-OE1 2.85Å; R268-E563 PolarHBondContact NH2-OE1 3.17Å; R268-E563 IonicContact NH2-OE2 2.7Å; R268-E563 PolarHBondContact NH2-OE2 3.1Å
269G68.2Low88.9Confident41 Ų4142.7 Ų42.742%0.42322%0.218SC..  trans-101179.2158.300000110.9Y271 A272G269-Y271 PolarHBondContact O-N 3.5Å; G269-A272 PolarHBondContact N-O 3.19Å
270S64.7Low88.8Confident112 Ų11244.8 Ų44.878%0.78322%0.224SC*.SBendtrans-58.5-29.1178.4-57.80000114.1
271Y67.6Low88.5Confident126 Ų12651 Ų5149%0.49425%0.251SS..SBendtrans-123.3-5.3-174.5-52.4-78.8000113.7G269 L295G269-Y271 PolarHBondContact O-N 3.5Å; Y271-L295 HydrophobicContact CD1-CD1 4.49Å
272A79.8Confident88.1Confident13 Ų1349 Ų4911%0.10724%0.244CC..EExtended strand (participates in β ladder)trans-135.1143.9-168.200000113.2R268 G269 K289 V290 V291R268-A272 WeakPolarHBondContact CA-O 3.3Å; G269-A272 PolarHBondContact N-O 3.19Å; A272-K289 HydrophobicContact CB-CG 3.8Å; A272-V290 VanDerWaalsContact CA-O 3.27Å; A272-V290 WeakPolarHBondContact CA-O 3.13Å; A272-V291 HydrophobicContact CB-CG2 4.06Å
273K89.1Confident87.9Confident29 Ų2951.4 Ų51.413%0.12625%0.254CS..EExtended strand (participates in β ladder)trans-103.4131.3162.7-177.8169.9177.5171.40108V265 L275 V290 E563 P564 Q566V265-K273 HydrophobicContact CG1-CD 4.41Å; V265-K273 VanDerWaalsContact CG1-CE 3.4Å; V265-K273 HydrophobicContact CG1-CG 4.19Å; K273-L275 HydrophobicContact CD-CD2 4.36Å; K273-L275 HydrophobicContact CG-CD2 4.26Å; K273-V290 PolarHBondContact N-O 2.87Å; K273-V290 WeakPolarHBondContact O-CB 3.43Å; K273-V290 PolarHBondContact O-N 3.37Å; K273-E563 VanDerWaalsContact CE-OE2 3.3Å; K273-E563 WeakPolarHBondContact CE-OE2 3.45Å; K273-E563 IonicContact NZ-OE2 3.65Å; K273-E563 PolarHBondContact NZ-OE2 3.03Å; K273-P564 PolarHBondContact NZ-O 3.46Å; K273-Q566 PolarHBondContact NZ-O 3Å
274V92.1Very high87.7Confident34 Ų3454.7 Ų54.721%0.20627%0.269CS..EExtended strand (participates in β ladder)trans-104.6124179.4-167.70000109.3I266 G267 A287 M288I266-V274 HydrophobicContact CD1-CG1 3.98Å; I266-V274 HydrophobicContact CG1-CB 4.19Å; I266-V274 HydrophobicContact CG1-CG1 3.8Å; I266-V274 PolarHBondContact N-O 3.12Å; G267-V274 PolarHBondContact N-O 3.39Å; G267-V274 PolarHBondContact O-N 3.2Å; V274-A287 HydrophobicContact CG1-CB 4.31Å; V274-M288 WeakPolarHBondContact CA-O 3.42Å
275L95.4Very high87.7Confident0 Ų052.2 Ų52.20%026%0.263CS..EExtended strand (participates in β ladder)trans-109.8144.1179.6-59.3178.9000110.6L262 R264 V265 K273 V277 A287 M288 V290 L567L262-L275 HydrophobicContact CD1-CD1 4.11Å; L262-L275 HydrophobicContact CD2-CD1 4.01Å; L262-L275 HydrophobicContact CG-CD1 4.5Å; R264-L275 CarbonylContact O-C 3.51Å; R264-L275 VanDerWaalsContact O-CA 3.28Å; R264-L275 WeakPolarHBondContact O-CA 3.31Å; V265-L275 HydrophobicContact CB-CD2 4.34Å; V265-L275 HydrophobicContact CG2-CD2 3.82Å; K273-L275 HydrophobicContact CD-CD2 4.36Å; K273-L275 HydrophobicContact CG-CD2 4.26Å; L275-V277 HydrophobicContact CB-CG1 3.92Å; L275-A287 CarbonylContact O-C 3.57Å; L275-A287 WeakPolarHBondContact O-CA 3.07Å; L275-M288 HydrophobicContact CB-CB 4.41Å; L275-M288 PolarHBondContact N-O 2.87Å; L275-M288 PolarHBondContact O-N 3.22Å; L275-V290 HydrophobicContact CD1-CG2 4.17Å; L275-V290 HydrophobicContact CG-CG2 4.41Å; L275-L567 HydrophobicContact CD1-CD2 3.94Å
276L96Very high87.9Confident0 Ų052.5 Ų52.50%027%0.265CS..EExtended strand (participates in β ladder)trans-81127.9159.2-176.859.2000108I263 R264 I266 V285 Y340 Y551 L553I263-L276 HydrophobicContact CB-CB 4.48Å; I263-L276 HydrophobicContact CB-CD2 4.44Å; I263-L276 HydrophobicContact CB-CG 4.23Å; I263-L276 HydrophobicContact CG2-CD2 4.01Å; I263-L276 HydrophobicContact CG2-CG 4.35Å; I263-L276 PolarHBondContact N-O 2.71Å; R264-L276 HydrophobicContact CB-CB 3.85Å; R264-L276 HydrophobicContact CB-CD2 4.18Å; R264-L276 PolarHBondContact N-O 3.35Å; R264-L276 PolarHBondContact O-N 3.1Å; I266-L276 HydrophobicContact CD1-CB 4.34Å; I266-L276 HydrophobicContact CG2-CB 3.84Å; L276-V285 HydrophobicContact CD1-CG1 3.36Å; L276-V285 HydrophobicContact CG-CG1 4.23Å; L276-Y340 HydrophobicContact CD1-CD1 3.62Å; L276-Y340 HydrophobicContact CD1-CD2 3.69Å; L276-Y340 HydrophobicContact CD1-CE1 3.51Å; L276-Y340 HydrophobicContact CD1-CE2 3.62Å; L276-Y340 HydrophobicContact CD1-CG 3.7Å; L276-Y340 HydrophobicContact CD2-CE1 4.38Å; L276-Y551 HydrophobicContact CD2-CD1 3.68Å; L276-Y551 HydrophobicContact CD2-CE1 4.43Å; L276-Y551 HydrophobicContact CD2-CG 3.86Å; L276-L553 HydrophobicContact CD2-CD2 4.06Å
277V96.9Very high88.1Confident0 Ų052.2 Ų52.20%026%0.264CS..EExtended strand (participates in β ladder)trans-134.6159.6-176.3-570000111.7F260 E261 L262 L275 V285 F286 M288F260-V277 HydrophobicContact CB-CB 4.45Å; F260-V277 HydrophobicContact CD1-CB 4.24Å; F260-V277 HydrophobicContact CD1-CG2 3.81Å; F260-V277 HydrophobicContact CE1-CG2 4.37Å; E261-V277 CarbonylContact O-C 3.54Å; E261-V277 WeakPolarHBondContact O-CA 3.46Å; E261-V277 WeakPolarHBondContact O-CB 3.24Å; L262-V277 HydrophobicContact CD2-CG1 3.57Å; L275-V277 HydrophobicContact CB-CG1 3.92Å; V277-V285 WeakPolarHBondContact O-CA 3.16Å; V277-F286 HydrophobicContact CG2-CB 3.92Å; V277-F286 WeakPolarHBondContact CG2-O 3.37Å; V277-F286 PolarHBondContact N-O 2.86Å; V277-F286 PolarHBondContact O-N 2.88Å; V277-M288 HydrophobicContact CB-CB 4.46Å; V277-M288 HydrophobicContact CB-CE 4.45Å; V277-M288 HydrophobicContact CG1-CB 3.66Å; V277-M288 HydrophobicContact CG1-CE 4.04Å; V277-M288 HydrophobicContact CG1-CG 4.45Å; V277-M288 HydrophobicContact CG1-SD 3.99Å; V277-M288 HydrophobicContact CG2-CB 3.9Å; V277-M288 HydrophobicContact CG2-CE 4.18Å
278R96.2Very high88.6Confident34 Ų3451.6 Ų51.613%0.12826%0.258CS..EExtended strand (participates in β ladder)trans-124.5133.9172.1178.5-177.1-61.8-153.9-2.3110.2F260 E261 I263 E283 Q284 E550 Y551F260-R278 CarbonylContact C-O 3.52Å; F260-R278 VanDerWaalsContact CA-O 3.28Å; F260-R278 WeakPolarHBondContact CA-O 3.46Å; E261-R278 HydrophobicContact CB-CB 4.44Å; E261-R278 PolarHBondContact N-O 2.84Å; E261-R278 PolarHBondContact O-N 3.05Å; I263-R278 HydrophobicContact CD1-CB 3.61Å; R278-E283 VanDerWaalsContact CD-OE2 3.26Å; R278-E283 WeakPolarHBondContact CD-OE2 3.44Å; R278-E283 WeakPolarHBondContact CG-O 3.31Å; R278-E283 IonicContact CZ-OE2 3.56Å; R278-E283 IonicContact NE-OE2 2.74Å; R278-E283 IonicContact NH1-OE2 3.7Å; R278-E283 PolarHBondContact NH1-OE2 2.94Å; R278-Q284 CarbonylContact C-O 3.57Å; R278-Q284 WeakPolarHBondContact CA-O 3.49Å; R278-E550 IonicContact CZ-OE1 3.44Å; R278-E550 IonicContact NH2-OE1 2.73Å; R278-E550 PolarHBondContact NH2-OE1 3.48Å; R278-Y551 PolarHBondContact NH2-OH 2.88Å
279L94.9Very high89Confident1 Ų145.4 Ų45.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-83.1115.7175.4176.557.8000109.7L255 D259 F260 K281 N282 E283 Q284 F286L255-L279 HydrophobicContact CD2-CD1 4.04Å; D259-L279 HydrophobicContact CB-CD1 4.11Å; F260-L279 HydrophobicContact CD1-CB 4.24Å; F260-L279 HydrophobicContact CD1-CD1 4.41Å; F260-L279 HydrophobicContact CE1-CB 3.95Å; F260-L279 HydrophobicContact CE1-CD1 3.98Å; F260-L279 HydrophobicContact CE1-CG 4.45Å; F260-L279 HydrophobicContact CE2-CD1 4.4Å; F260-L279 HydrophobicContact CZ-CD1 3.96Å; L279-K281 HydrophobicContact CD1-CB 4.41Å; L279-K281 HydrophobicContact CG-CB 4.13Å; L279-K281 PolarHBondContact O-N 2.8Å; L279-N282 WeakPolarHBondContact CB-OD1 3.46Å; L279-N282 WeakPolarHBondContact CG-OD1 3.33Å; L279-N282 PolarHBondContact O-N 3.03Å; L279-N282 PolarHBondContact O-OD1 3.01Å; L279-E283 WeakPolarHBondContact O-CA 3.5Å; L279-E283 PolarHBondContact O-N 3.16Å; L279-Q284 PolarHBondContact N-O 2.9Å; L279-F286 HydrophobicContact CB-CD2 4.21Å; L279-F286 HydrophobicContact CB-CE2 3.87Å; L279-F286 HydrophobicContact CD2-CE2 4.15Å
280K94.4Very high90.2Very high111 Ų11143.8 Ų43.848%0.48322%0.217SC..THydrogen-bonded Turntrans-66.4-9.8-172.7-65.4164.3178.8147.50114.7G258 D259 F260G258-K280 PolarHBondContact O-NZ 3.34Å; D259-K280 WeakPolarHBondContact O-CB 3.46Å; D259-K280 WeakPolarHBondContact O-CD 3.25Å; D259-K280 VanDerWaalsContact O-CG 3.3Å; D259-K280 WeakPolarHBondContact O-CG 3.38Å; D259-K280 PolarHBondContact O-N 2.95Å; F260-K280 VanDerWaalsContact O-CE 3.32Å; F260-K280 WeakPolarHBondContact O-CE 3.49Å; F260-K280 PolarHBondContact O-NZ 3.14Å
281K89.7Confident91.3Very high136 Ų13638.7 Ų38.759%0.59118%0.181SC*.THydrogen-bonded Turntrans-75.2-38.3178-179.7-166.8164.5-1570111.9L279 E597L279-K281 HydrophobicContact CD1-CB 4.41Å; L279-K281 HydrophobicContact CG-CB 4.13Å; L279-K281 PolarHBondContact O-N 2.8Å; K281-E597 IonicContact NZ-OE2 2.76Å; K281-E597 PolarHBondContact NZ-OE2 2.84Å
282N88.3Confident92.3Very high57 Ų5734.8 Ų34.831%0.30517%0.167SC..THydrogen-bonded Turntrans-137.76.4-169.560.5-1.9000113.9L279 Q284 E597L279-N282 WeakPolarHBondContact CB-OD1 3.46Å; L279-N282 WeakPolarHBondContact CG-OD1 3.33Å; L279-N282 PolarHBondContact O-N 3.03Å; L279-N282 PolarHBondContact O-OD1 3.01Å; N282-Q284 PolarHBondContact O-N 2.95Å; N282-Q284 VanDerWaalsContact O-N 3.09Å; N282-Q284 WeakPolarHBondContact OD1-CB 3.43Å; N282-Q284 PolarHBondContact OD1-N 3.45Å; N282-E597 PolarHBondContact ND2-OE1 2.9Å
283E91.6Very high92.6Very high102 Ų10234.3 Ų34.348%0.47716%0.162SC..THydrogen-bonded Turntrans58.213.7-174.8-61.5-67.498.100114.7R278 L279R278-E283 VanDerWaalsContact CD-OE2 3.26Å; R278-E283 WeakPolarHBondContact CD-OE2 3.44Å; R278-E283 WeakPolarHBondContact CG-O 3.31Å; R278-E283 IonicContact CZ-OE2 3.56Å; R278-E283 IonicContact NE-OE2 2.74Å; R278-E283 IonicContact NH1-OE2 3.7Å; R278-E283 PolarHBondContact NH1-OE2 2.94Å; L279-E283 WeakPolarHBondContact O-CA 3.5Å; L279-E283 PolarHBondContact O-N 3.16Å
284Q92.1Very high92.3Very high92 Ų9235.6 Ų35.643%0.4317%0.169SC..EExtended strand (participates in β ladder)trans-75.4139.7-178.1-173.2169.1-2300111.6R278 L279 N282 F286R278-Q284 CarbonylContact C-O 3.57Å; R278-Q284 WeakPolarHBondContact CA-O 3.49Å; L279-Q284 PolarHBondContact N-O 2.9Å; N282-Q284 PolarHBondContact O-N 2.95Å; N282-Q284 VanDerWaalsContact O-N 3.09Å; N282-Q284 WeakPolarHBondContact OD1-CB 3.43Å; N282-Q284 PolarHBondContact OD1-N 3.45Å; Q284-F286 HydrophobicContact CB-CE2 3.79Å; Q284-F286 HydrophobicContact CB-CZ 4.13Å; Q284-F286 HydrophobicContact CG-CD2 4.45Å; Q284-F286 HydrophobicContact CG-CE1 4.35Å; Q284-F286 HydrophobicContact CG-CE2 3.71Å; Q284-F286 HydrophobicContact CG-CZ 3.65Å; Q284-F286 WeakPolarHBondContact O-CD2 3.18Å
285V94.3Very high91.5Very high38 Ų3837 Ų3723%0.2317%0.174CC..EExtended strand (participates in β ladder)trans-97.6134.3-174.51790000110.9L276 V277 Y340 Y551L276-V285 HydrophobicContact CD1-CG1 3.36Å; L276-V285 HydrophobicContact CG-CG1 4.23Å; V277-V285 WeakPolarHBondContact O-CA 3.16Å; V285-Y340 HydrophobicContact CG1-CD1 3.69Å; V285-Y340 HydrophobicContact CG1-CE1 4.27Å; V285-Y340 HydrophobicContact CG1-CG 4.26Å; V285-Y551 HydrophobicContact CG1-CD1 4.42Å; V285-Y551 HydrophobicContact CG2-CE1 4.21Å
286F95.8Very high90.4Very high6 Ų637.5 Ų37.53%0.02618%0.178CC..EExtended strand (participates in β ladder)trans-137162.4-177.7-61.5-84.7000111.2F260 V277 L279 Q284 H325 V337F260-F286 HydrophobicContact CE1-CD2 4.46Å; V277-F286 HydrophobicContact CG2-CB 3.92Å; V277-F286 WeakPolarHBondContact CG2-O 3.37Å; V277-F286 PolarHBondContact N-O 2.86Å; V277-F286 PolarHBondContact O-N 2.88Å; L279-F286 HydrophobicContact CB-CD2 4.21Å; L279-F286 HydrophobicContact CB-CE2 3.87Å; L279-F286 HydrophobicContact CD2-CE2 4.15Å; Q284-F286 HydrophobicContact CB-CE2 3.79Å; Q284-F286 HydrophobicContact CB-CZ 4.13Å; Q284-F286 HydrophobicContact CG-CD2 4.45Å; Q284-F286 HydrophobicContact CG-CE1 4.35Å; Q284-F286 HydrophobicContact CG-CE2 3.71Å; Q284-F286 HydrophobicContact CG-CZ 3.65Å; Q284-F286 WeakPolarHBondContact O-CD2 3.18Å; F286-H325 HydrophobicContact CD1-CB 4.05Å; F286-H325 HydrophobicContact CE1-CB 3.79Å; F286-H325 AromaticContact CE1-CD2 3.49Å; F286-H325 VanDerWaalsContact CE1-CD2 3.49Å; F286-H325 WeakPolarHBondContact CE1-CD2 3.48Å; F286-H325 AromaticContact CE1-CG 3.66Å; F286-H325 HydrophobicContact CZ-CB 4.49Å; F286-H325 AromaticContact CZ-CD2 3.41Å; F286-H325 VanDerWaalsContact CZ-CD2 3.41Å; F286-H325 WeakPolarHBondContact CZ-CD2 3.43Å; F286-H325 AromaticContact CZ-CG 3.87Å; F286-H325 AromaticContact CZ-NE2 3.75Å; F286-V337 HydrophobicContact CB-CG1 3.54Å; F286-V337 HydrophobicContact CD1-CG1 4.11Å; F286-V337 HydrophobicContact CD2-CG1 4.26Å; F286-V337 HydrophobicContact CG-CG1 3.73Å
287A95.4Very high89Confident7 Ų744 Ų446%0.05821%0.208CC..EExtended strand (participates in β ladder)trans-94.3140.1162.700000109.4I266 V274 L275 V337 I338 Y340I266-A287 HydrophobicContact CD1-CB 4.02Å; V274-A287 HydrophobicContact CG1-CB 4.31Å; L275-A287 CarbonylContact O-C 3.57Å; L275-A287 WeakPolarHBondContact O-CA 3.07Å; A287-V337 WeakPolarHBondContact O-CA 3.01Å; A287-I338 HydrophobicContact CB-CD1 4.39Å; A287-I338 HydrophobicContact CB-CG1 3.89Å; A287-I338 PolarHBondContact N-O 3.5Å; A287-I338 WeakPolarHBondContact O-CG1 3.35Å; A287-I338 PolarHBondContact O-N 2.83Å; A287-Y340 HydrophobicContact CB-CD2 4.3Å
288M95.4Very high87.3Confident0 Ų049.5 Ų49.50%024%0.237CC..EExtended strand (participates in β ladder)trans-121.1106.7-179.9-178-174.6-79.900109L257 F260 L262 V274 L275 V277 V290 F328 F335 L336 V337L257-M288 HydrophobicContact CD1-CE 4.41Å; L257-M288 HydrophobicContact CD1-SD 4.16Å; F260-M288 HydrophobicContact CB-CE 3.92Å; F260-M288 HydrophobicContact CD1-CE 3.96Å; F260-M288 HydrophobicContact CD2-CE 3.72Å; F260-M288 HydrophobicContact CE1-CE 4.45Å; F260-M288 HydrophobicContact CE2-CE 4.25Å; F260-M288 HydrophobicContact CG-CE 3.57Å; L262-M288 HydrophobicContact CD2-SD 4.36Å; V274-M288 WeakPolarHBondContact CA-O 3.42Å; L275-M288 HydrophobicContact CB-CB 4.41Å; L275-M288 PolarHBondContact N-O 2.87Å; L275-M288 PolarHBondContact O-N 3.22Å; V277-M288 HydrophobicContact CB-CB 4.46Å; V277-M288 HydrophobicContact CB-CE 4.45Å; V277-M288 HydrophobicContact CG1-CB 3.66Å; V277-M288 HydrophobicContact CG1-CE 4.04Å; V277-M288 HydrophobicContact CG1-CG 4.45Å; V277-M288 HydrophobicContact CG1-SD 3.99Å; V277-M288 HydrophobicContact CG2-CB 3.9Å; V277-M288 HydrophobicContact CG2-CE 4.18Å; M288-V290 HydrophobicContact CG-CG2 3.91Å; M288-V290 HydrophobicContact SD-CG2 4.2Å; M288-F328 HydrophobicContact CE-CE1 3.97Å; M288-F328 HydrophobicContact CE-CZ 3.64Å; M288-F328 HydrophobicContact SD-CZ 4.38Å; M288-F335 HydrophobicContact CG-CB 4.48Å; M288-F335 HydrophobicContact CG-CD1 4.14Å; M288-F335 HydrophobicContact SD-CD1 3.62Å; M288-F335 HydrophobicContact SD-CE1 4.27Å; M288-L336 CarbonylContact C-O 3.6Å; M288-L336 WeakPolarHBondContact CA-O 3.47Å; M288-V337 HydrophobicContact CE-CG2 3.98Å; M288-V337 HydrophobicContact CG-CG2 4.45Å
289K92.3Very high85.4Confident14 Ų1454.2 Ų54.26%0.06127%0.265CS..EExtended strand (participates in β ladder)trans-80.7114.3173.3-171.5-173.5-167.4-175.10108.1A272 E308 L336 D402A272-K289 HydrophobicContact CB-CG 3.8Å; K289-E308 IonicContact NZ-OE1 3.41Å; K289-E308 PolarHBondContact NZ-OE1 3.09Å; K289-E308 IonicContact NZ-OE2 2.67Å; K289-E308 PolarHBondContact NZ-OE2 3.02Å; K289-L336 HydrophobicContact CB-CB 4.31Å; K289-L336 PolarHBondContact N-O 2.74Å; K289-L336 PolarHBondContact O-N 3.25Å; K289-D402 WeakPolarHBondContact CE-OD1 3.49Å; K289-D402 IonicContact NZ-OD1 2.7Å; K289-D402 PolarHBondContact NZ-OD1 2.94Å
290V92.4Very high83.8Confident8 Ų861.6 Ų61.65%0.04830%0.299CS..EExtended strand (participates in β ladder)trans-108.6110.8-176.5-169.90000110.1A272 K273 L275 M288 R333 F335 L567A272-V290 VanDerWaalsContact CA-O 3.27Å; A272-V290 WeakPolarHBondContact CA-O 3.13Å; K273-V290 PolarHBondContact N-O 2.87Å; K273-V290 WeakPolarHBondContact O-CB 3.43Å; K273-V290 PolarHBondContact O-N 3.37Å; L275-V290 HydrophobicContact CD1-CG2 4.17Å; L275-V290 HydrophobicContact CG-CG2 4.41Å; M288-V290 HydrophobicContact CG-CG2 3.91Å; M288-V290 HydrophobicContact SD-CG2 4.2Å; V290-R333 HydrophobicContact CG1-CB 4.34Å; V290-R333 HydrophobicContact CG1-CG 4.35Å; V290-F335 HydrophobicContact CB-CD1 4.33Å; V290-F335 HydrophobicContact CB-CE1 4.41Å; V290-F335 HydrophobicContact CG1-CD1 3.86Å; V290-F335 HydrophobicContact CG1-CE1 3.58Å; V290-F335 HydrophobicContact CG1-CZ 4.14Å; V290-F335 HydrophobicContact CG2-CD1 3.75Å; V290-F335 HydrophobicContact CG2-CE1 3.96Å; V290-L567 HydrophobicContact CB-CD2 4.47Å; V290-L567 HydrophobicContact CG1-CD2 4Å; V290-L567 HydrophobicContact CG2-CD2 4.24Å
291V87.6Confident82.5Confident4 Ų458.8 Ų58.82%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-101.7142.7176.2-177.90000109.1A272 R333 L334A272-V291 HydrophobicContact CB-CG2 4.06Å; V291-R333 CarbonylContact O-C 3.54Å; V291-R333 VanDerWaalsContact O-CA 3.27Å; V291-R333 WeakPolarHBondContact O-CA 3.34Å; V291-R333 WeakPolarHBondContact O-CB 3.38Å; V291-L334 HydrophobicContact CB-CB 4.4Å; V291-L334 PolarHBondContact N-O 3.25Å; V291-L334 PolarHBondContact O-N 3.41Å
292K88.2Confident81.5Confident45 Ų4553.4 Ų53.420%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-89.3130.1174.7-86.9168.5154.9-760110.1E294 L295 R333 T568K292-E294 HydrophobicContact CB-CG 3.84Å; K292-E294 HydrophobicContact CD-CG 4.11Å; K292-E294 WeakPolarHBondContact CD-OE1 3.45Å; K292-E294 WeakPolarHBondContact CE-OE1 3.31Å; K292-E294 HydrophobicContact CG-CG 4.32Å; K292-E294 IonicContact NZ-OE1 2.71Å; K292-E294 PolarHBondContact NZ-OE1 3.2Å; K292-E294 PolarHBondContact O-N 3.31Å; K292-L295 HydrophobicContact CB-CD1 4.08Å; K292-L295 HydrophobicContact CB-CG 4.01Å; K292-L295 PolarHBondContact O-N 2.84Å; K292-L295 VanDerWaalsContact O-N 3.07Å; K292-R333 HydrophobicContact CG-CG 4.38Å; K292-T568 WeakPolarHBondContact CE-OG1 3.35Å
293K87Confident80.4Confident3 Ų355.5 Ų55.51%0.01328%0.278CS..G310 helixtrans-61.5-29172.5-73.4179170.21750112L295 V296 Q329 T330 S332 L334 I578 F583K293-L295 PolarHBondContact O-N 2.78Å; K293-V296 PolarHBondContact O-N 3.27Å; K293-Q329 VanDerWaalsContact CE-OE1 3.23Å; K293-T330 WeakPolarHBondContact CE-O 3.36Å; K293-T330 PolarHBondContact NZ-O 3.26Å; K293-S332 PolarHBondContact N-O 3.41Å; K293-L334 HydrophobicContact CD-CD2 4.48Å; K293-L334 HydrophobicContact CG-CD2 4.19Å; K293-L334 HydrophobicContact CG-CG 4.08Å; K293-I578 HydrophobicContact CB-CD1 3.81Å; K293-I578 HydrophobicContact CB-CG2 3.87Å; K293-I578 HydrophobicContact CD-CG2 4.07Å; K293-F583 HydrophobicContact CB-CE2 4.34Å; K293-F583 HydrophobicContact CB-CZ 4.18Å; K293-F583 HydrophobicContact CD-CD2 3.86Å; K293-F583 HydrophobicContact CD-CE2 3.89Å; K293-F583 HydrophobicContact CD-CG 4.24Å; K293-F583 HydrophobicContact CD-CZ 4.28Å; K293-F583 HydrophobicContact CG-CD1 4.44Å; K293-F583 HydrophobicContact CG-CD2 4.33Å; K293-F583 HydrophobicContact CG-CE1 4.1Å; K293-F583 HydrophobicContact CG-CE2 4Å; K293-F583 HydrophobicContact CG-CZ 3.88Å
294E82.8Confident79.3Confident56 Ų5653.4 Ų53.426%0.26227%0.266SS..G310 helixtrans-64.32.6171.971.1155.6159.300115.5K292 H297 V574K292-E294 HydrophobicContact CB-CG 3.84Å; K292-E294 HydrophobicContact CD-CG 4.11Å; K292-E294 WeakPolarHBondContact CD-OE1 3.45Å; K292-E294 WeakPolarHBondContact CE-OE1 3.31Å; K292-E294 HydrophobicContact CG-CG 4.32Å; K292-E294 IonicContact NZ-OE1 2.71Å; K292-E294 PolarHBondContact NZ-OE1 3.2Å; K292-E294 PolarHBondContact O-N 3.31Å; E294-H297 PolarHBondContact O-CE1 3.17Å; E294-V574 HydrophobicContact CB-CG1 3.5Å; E294-V574 HydrophobicContact CG-CG1 4.46Å
295L75.6Confident78.3Confident62 Ų6249.6 Ų49.633%0.32525%0.249SC..G310 helixtrans-114.8-2.6175.3-57.6178.7000113Y271 K292 K293Y271-L295 HydrophobicContact CD1-CD1 4.49Å; K292-L295 HydrophobicContact CB-CD1 4.08Å; K292-L295 HydrophobicContact CB-CG 4.01Å; K292-L295 PolarHBondContact O-N 2.84Å; K292-L295 VanDerWaalsContact O-N 3.07Å; K293-L295 PolarHBondContact O-N 2.78Å
296V72.6Confident77.2Confident12 Ų1253.3 Ų53.37%0.07326%0.264CS..  trans-97.5124170.5-179.40000105.7K293 D301 I302 V305 F583K293-V296 PolarHBondContact O-N 3.27Å; V296-D301 HydrophobicContact CB-CB 4.2Å; V296-D301 HydrophobicContact CG1-CB 3.67Å; V296-I302 HydrophobicContact CG1-CG1 3.76Å; V296-V305 HydrophobicContact CG2-CG2 4.44Å; V296-F583 HydrophobicContact CB-CE1 4.25Å; V296-F583 HydrophobicContact CB-CZ 4.02Å; V296-F583 HydrophobicContact CG1-CE1 3.99Å; V296-F583 HydrophobicContact CG1-CZ 3.89Å; V296-F583 HydrophobicContact CG2-CE1 4.25Å; V296-F583 HydrophobicContact CG2-CZ 4.44Å
297H65.1Low76.1Confident136 Ų13653.7 Ų53.763%0.6327%0.267SS*.  trans-137.8-37.4-168.9-72.3-20.3000114.8E294 D301E294-H297 PolarHBondContact O-CE1 3.17Å; H297-D301 PolarHBondContact N-OD2 3.1Å
298D61.6Low75.1Confident116 Ų11653.5 Ų53.562%0.6227%0.265SS*.SBendtrans-120.5161-178.5-64.9-17.6000109.4E300 D301D298-E300 PolarHBondContact O-N 3.27Å; D298-D301 PolarHBondContact N-OD2 2.88Å; D298-D301 VanDerWaalsContact N-OD2 3.16Å; D298-D301 WeakPolarHBondContact O-CB 3.46Å; D298-D301 PolarHBondContact O-N 3.16Å
299D56.9Low74Confident133 Ų13354.9 Ų54.971%0.71127%0.271SS*.Hα-helixtrans-50.8-34179.5-53.4-58.3000113.2D301 I302 D303D299-D301 PolarHBondContact O-N 3.04Å; D299-I302 PolarHBondContact O-N 2.84Å; D299-I302 VanDerWaalsContact O-N 3.11Å; D299-D303 PolarHBondContact O-N 3.3Å
300E61Low73.5Confident155 Ų15557.7 Ų57.772%0.72428%0.284SS*.Hα-helixtrans-60-29.1177.2-66.3-173.5-171.700112.9D298 W304D298-E300 PolarHBondContact O-N 3.27Å; E300-W304 WeakPolarHBondContact O-CB 3.37Å; E300-W304 PolarHBondContact O-N 3.37Å
301D66.8Low73.1Confident53 Ų5357.3 Ų57.328%0.28328%0.282SS..Hα-helixtrans-80.7-27.6177.3-58.3-44.6000111.9V296 H297 D298 D299 W304 V305V296-D301 HydrophobicContact CB-CB 4.2Å; V296-D301 HydrophobicContact CG1-CB 3.67Å; H297-D301 PolarHBondContact N-OD2 3.1Å; D298-D301 PolarHBondContact N-OD2 2.88Å; D298-D301 VanDerWaalsContact N-OD2 3.16Å; D298-D301 WeakPolarHBondContact O-CB 3.46Å; D298-D301 PolarHBondContact O-N 3.16Å; D299-D301 PolarHBondContact O-N 3.04Å; D301-W304 WeakPolarHBondContact O-CB 3.47Å; D301-V305 WeakPolarHBondContact O-CG2 3.08Å; D301-V305 PolarHBondContact O-N 3.02Å
302I68.6Low72.8Confident22 Ų2257.2 Ų57.211%0.11328%0.281CS..Hα-helixtrans-77.1-47.2177.2-56.3169.4000109.6V296 D299 W304 V305 Q306 E582V296-I302 HydrophobicContact CG1-CG1 3.76Å; D299-I302 PolarHBondContact O-N 2.84Å; D299-I302 VanDerWaalsContact O-N 3.11Å; I302-W304 PolarHBondContact O-N 3.32Å; I302-V305 PolarHBondContact O-N 3.11Å; I302-V305 VanDerWaalsContact O-N 3.09Å; I302-Q306 WeakPolarHBondContact O-CG 3.5Å; I302-Q306 PolarHBondContact O-N 2.91Å; I302-E582 HydrophobicContact CD1-CB 3.86Å; I302-E582 HydrophobicContact CD1-CG 3.8Å
303D66.4Low72.4Confident101 Ų10157.8 Ų57.854%0.5428%0.284SS..Hα-helixtrans-52.1-37.9170.2-93.88.7000111.3D299 T307D299-D303 PolarHBondContact O-N 3.3Å; D303-T307 VanDerWaalsContact O-CB 3.25Å; D303-T307 WeakPolarHBondContact O-CB 3.45Å; D303-T307 PolarHBondContact O-N 2.87Å; D303-T307 PolarHBondContact O-OG1 2.69Å
304W68.7Low72.1Confident58 Ų5859.7 Ų59.722%0.2229%0.293CS..Hα-helixtrans-65-46.5176.4176.893.5000112.4E300 D301 I302 E308 G404E300-W304 WeakPolarHBondContact O-CB 3.37Å; E300-W304 PolarHBondContact O-N 3.37Å; D301-W304 WeakPolarHBondContact O-CB 3.47Å; I302-W304 PolarHBondContact O-N 3.32Å; W304-E308 WeakPolarHBondContact O-CB 3.44Å; W304-E308 PolarHBondContact O-N 2.78Å; W304-G404 PolarHBondContact NE1-O 3.43Å
305V69.1Low72.1Confident12 Ų1257 Ų577%0.07328%0.281CS..Hα-helixtrans-61.7-44.7175.7172.30000111.2V296 D301 I302 E308 K309 L334 F586V296-V305 HydrophobicContact CG2-CG2 4.44Å; D301-V305 WeakPolarHBondContact O-CG2 3.08Å; D301-V305 PolarHBondContact O-N 3.02Å; I302-V305 PolarHBondContact O-N 3.11Å; I302-V305 VanDerWaalsContact O-N 3.09Å; V305-E308 PolarHBondContact O-N 3.28Å; V305-K309 PolarHBondContact O-N 3.47Å; V305-L334 HydrophobicContact CG1-CD1 3.81Å; V305-L334 HydrophobicContact CG2-CD1 3.85Å; V305-F586 HydrophobicContact CG1-CD2 3.68Å; V305-F586 HydrophobicContact CG1-CE2 3.46Å; V305-F586 VanDerWaalsContact CG1-CE2 3.46Å
306Q71.9Confident72.1Confident116 Ų11655.6 Ų55.654%0.54228%0.276SS..Hα-helixtrans-68.9-41.5-178.6-65-174.219.100111.8I302 K309 H310I302-Q306 WeakPolarHBondContact O-CG 3.5Å; I302-Q306 PolarHBondContact O-N 2.91Å; Q306-K309 PolarHBondContact O-N 3.35Å; Q306-H310 PolarHBondContact O-N 2.96Å
307T72.6Confident72.5Confident15 Ų1559.3 Ų59.39%0.09230%0.299CS..Hα-helixtrans-59.5-46.7172-590000111.1D303 K309 H310 V311 C406 E408D303-T307 VanDerWaalsContact O-CB 3.25Å; D303-T307 WeakPolarHBondContact O-CB 3.45Å; D303-T307 PolarHBondContact O-N 2.87Å; D303-T307 PolarHBondContact O-OG1 2.69Å; T307-K309 PolarHBondContact O-N 3.27Å; T307-H310 PolarHBondContact O-N 3.34Å; T307-V311 HydrophobicContact CG2-CG2 4.16Å; T307-V311 VanDerWaalsContact O-CG2 3.3Å; T307-V311 WeakPolarHBondContact O-CG2 3.47Å; T307-V311 PolarHBondContact O-N 3.25Å; T307-C406 HydrophobicContact CG2-CB 4.4Å; T307-E408 HydrophobicContact CG2-CG 3.99Å
308E74.3Confident73.8Confident2 Ų253.3 Ų53.31%0.00927%0.271CS..Hα-helixtrans-60.1-45.5179177.6154-126.300111.3K289 W304 V305 H310 F312 L336 Y403 G404K289-E308 IonicContact NZ-OE1 3.41Å; K289-E308 PolarHBondContact NZ-OE1 3.09Å; K289-E308 IonicContact NZ-OE2 2.67Å; K289-E308 PolarHBondContact NZ-OE2 3.02Å; W304-E308 WeakPolarHBondContact O-CB 3.44Å; W304-E308 PolarHBondContact O-N 2.78Å; V305-E308 PolarHBondContact O-N 3.28Å; E308-H310 PolarHBondContact O-N 3.36Å; E308-F312 HydrophobicContact CG-CD2 3.64Å; E308-F312 HydrophobicContact CG-CE2 3.6Å; E308-F312 WeakPolarHBondContact O-CB 3.43Å; E308-F312 VanDerWaalsContact O-CD2 3.23Å; E308-F312 WeakPolarHBondContact O-CD2 3.47Å; E308-F312 PolarHBondContact O-N 2.85Å; E308-L336 HydrophobicContact CG-CD2 4.01Å; E308-Y403 PolarHBondContact OE1-N 3.23Å; E308-Y403 VanDerWaalsContact OE1-N 3.17Å; E308-G404 PolarHBondContact OE1-N 3.08Å
309K73.4Confident75.3Confident30 Ų3050 Ų5013%0.1326%0.256CS..Hα-helixtrans-56.5-49.6174.4175.3175.21731670111.8V305 Q306 T307 F312 E313 G585 F586 E587V305-K309 PolarHBondContact O-N 3.47Å; Q306-K309 PolarHBondContact O-N 3.35Å; T307-K309 PolarHBondContact O-N 3.27Å; K309-F312 WeakPolarHBondContact O-CB 3.36Å; K309-F312 PolarHBondContact O-N 2.93Å; K309-E313 WeakPolarHBondContact CE-OE1 3.4Å; K309-E313 WeakPolarHBondContact O-CG 3.34Å; K309-E313 PolarHBondContact O-N 3.41Å; K309-G585 PolarHBondContact NZ-O 2.93Å; K309-F586 PolarHBondContact NZ-O 3.12Å; K309-E587 PolarHBondContact NZ-O 3.17Å
310H81.8Confident77.2Confident73 Ų7343.6 Ų43.634%0.33822%0.222SC..Hα-helixtrans-70.7-37.5-175.2-168.551.5000113.3Q306 T307 E308 F312 E313 Q314 E408Q306-H310 PolarHBondContact O-N 2.96Å; T307-H310 PolarHBondContact O-N 3.34Å; E308-H310 PolarHBondContact O-N 3.36Å; H310-F312 VanDerWaalsContact C-N 3.31Å; H310-F312 PolarHBondContact O-N 2.85Å; H310-E313 IonicContact CE1-OE2 3.74Å; H310-E313 IonicContact ND1-OE2 2.72Å; H310-E313 PolarHBondContact ND1-OE2 3.27Å; H310-E313 WeakPolarHBondContact O-CB 3.48Å; H310-E313 PolarHBondContact O-N 2.89Å; H310-Q314 PolarHBondContact NE2-NE2 2.81Å; H310-Q314 PolarHBondContact O-N 3.18Å; H310-E408 IonicContact CD2-OE2 3.89Å; H310-E408 PolarHBondContact CD2-OE2 3.03Å; H310-E408 IonicContact CG-OE2 3.87Å
311V83.4Confident78.8Confident0 Ų036.3 Ų36.30%019%0.188CC..Hα-helixtrans-61.5-41.7172.2175.60000110.6T307 E313 Q314 A315 L375 I380 Y403 C406T307-V311 HydrophobicContact CG2-CG2 4.16Å; T307-V311 VanDerWaalsContact O-CG2 3.3Å; T307-V311 WeakPolarHBondContact O-CG2 3.47Å; T307-V311 PolarHBondContact O-N 3.25Å; V311-E313 PolarHBondContact O-N 2.65Å; V311-Q314 PolarHBondContact O-N 2.84Å; V311-A315 WeakPolarHBondContact O-CB 3.46Å; V311-A315 PolarHBondContact O-N 2.89Å; V311-L375 HydrophobicContact CG1-CD2 4.2Å; V311-I380 HydrophobicContact CG1-CD1 4.36Å; V311-I380 HydrophobicContact CG1-CG2 4.28Å; V311-I380 HydrophobicContact CG2-CD1 4.06Å; V311-I380 HydrophobicContact CG2-CG1 4.34Å; V311-I380 HydrophobicContact CG2-CG2 3.88Å; V311-Y403 HydrophobicContact CB-CG 4.43Å; V311-Y403 HydrophobicContact CG1-CD1 4.1Å; V311-Y403 HydrophobicContact CG1-CD2 3.94Å; V311-Y403 HydrophobicContact CG1-CG 3.66Å; V311-C406 HydrophobicContact CG2-CB 3.92Å
312F81.9Confident80.1Confident1 Ų133.8 Ų33.80%0.00418%0.175CC..Hα-helixtrans-60.1-41.4174.8-99.3-55.1000113.7E308 K309 H310 Q314 A315 S316 V322 L324 L336 I338 Y403E308-F312 HydrophobicContact CG-CD2 3.64Å; E308-F312 HydrophobicContact CG-CE2 3.6Å; E308-F312 WeakPolarHBondContact O-CB 3.43Å; E308-F312 VanDerWaalsContact O-CD2 3.23Å; E308-F312 WeakPolarHBondContact O-CD2 3.47Å; E308-F312 PolarHBondContact O-N 2.85Å; K309-F312 WeakPolarHBondContact O-CB 3.36Å; K309-F312 PolarHBondContact O-N 2.93Å; H310-F312 VanDerWaalsContact C-N 3.31Å; H310-F312 PolarHBondContact O-N 2.85Å; F312-Q314 VanDerWaalsContact C-N 3.35Å; F312-Q314 PolarHBondContact O-N 3.49Å; F312-A315 PolarHBondContact O-N 2.96Å; F312-S316 PolarHBondContact O-N 2.77Å; F312-S316 PolarHBondContact O-OG 3.46Å; F312-V322 HydrophobicContact CE1-CG1 4.23Å; F312-L324 HydrophobicContact CB-CB 3.64Å; F312-L324 HydrophobicContact CB-CD2 3.8Å; F312-L324 HydrophobicContact CB-CG 4.19Å; F312-L324 HydrophobicContact CD1-CB 3.81Å; F312-L324 HydrophobicContact CG-CB 3.87Å; F312-L324 HydrophobicContact CG-CD1 4.39Å; F312-L324 HydrophobicContact CG-CD2 4.47Å; F312-L324 HydrophobicContact CG-CG 4.47Å; F312-L336 HydrophobicContact CD2-CD2 3.98Å; F312-L336 HydrophobicContact CE2-CD2 3.96Å; F312-I338 HydrophobicContact CD1-CG2 4.14Å; F312-I338 HydrophobicContact CE1-CB 4.37Å; F312-I338 HydrophobicContact CE1-CG2 3.56Å; F312-I338 HydrophobicContact CE2-CG2 4.26Å; F312-I338 HydrophobicContact CZ-CD1 4.41Å; F312-I338 HydrophobicContact CZ-CG2 3.65Å; F312-Y403 HydrophobicContact CB-CD2 4.43Å; F312-Y403 AromaticContact CD1-CD2 3.52Å; F312-Y403 HydrophobicContact CD1-CD2 3.52Å; F312-Y403 AromaticContact CD1-CE2 3.45Å; F312-Y403 HydrophobicContact CD1-CE2 3.45Å; F312-Y403 VanDerWaalsContact CD1-CE2 3.45Å; F312-Y403 AromaticContact CD2-CD2 3.9Å; F312-Y403 HydrophobicContact CD2-CD2 3.9Å; F312-Y403 AromaticContact CE1-CD2 3.54Å; F312-Y403 HydrophobicContact CE1-CD2 3.54Å; F312-Y403 AromaticContact CE1-CE2 3.4Å; F312-Y403 HydrophobicContact CE1-CE2 3.4Å; F312-Y403 VanDerWaalsContact CE1-CE2 3.4Å; F312-Y403 AromaticContact CE2-CD2 3.92Å; F312-Y403 HydrophobicContact CE2-CD2 3.92Å; F312-Y403 AromaticContact CG-CD2 3.69Å; F312-Y403 HydrophobicContact CG-CD2 3.69Å; F312-Y403 HydrophobicContact CG-CE2 4.08Å; F312-Y403 AromaticContact CZ-CD2 3.72Å; F312-Y403 HydrophobicContact CZ-CD2 3.72Å; F312-Y403 HydrophobicContact CZ-CE2 4.01Å
313E78.4Confident81.1Confident58 Ų5833.3 Ų33.327%0.27118%0.175SC..Hα-helixtrans-59.1-45.1175.3-70.7169.4174.900111.3K309 H310 V311 Y588K309-E313 WeakPolarHBondContact CE-OE1 3.4Å; K309-E313 WeakPolarHBondContact O-CG 3.34Å; K309-E313 PolarHBondContact O-N 3.41Å; H310-E313 IonicContact CE1-OE2 3.74Å; H310-E313 IonicContact ND1-OE2 2.72Å; H310-E313 PolarHBondContact ND1-OE2 3.27Å; H310-E313 WeakPolarHBondContact O-CB 3.48Å; H310-E313 PolarHBondContact O-N 2.89Å; V311-E313 PolarHBondContact O-N 2.65Å; E313-Y588 HydrophobicContact CG-CD2 4.46Å; E313-Y588 HydrophobicContact CG-CE1 4.36Å; E313-Y588 HydrophobicContact CG-CE2 3.8Å; E313-Y588 WeakPolarHBondContact OE1-CD2 3.34Å; E313-Y588 WeakPolarHBondContact OE1-CE2 3.44Å
314Q82.1Confident82.2Confident43 Ų4328.5 Ų28.520%0.20115%0.149CC..Hα-helixtrans-72.9-40178.4-60.8-164.636.300112.9H310 V311 F312 S316 T317 F374 K378H310-Q314 PolarHBondContact NE2-NE2 2.81Å; H310-Q314 PolarHBondContact O-N 3.18Å; V311-Q314 PolarHBondContact O-N 2.84Å; F312-Q314 VanDerWaalsContact C-N 3.35Å; F312-Q314 PolarHBondContact O-N 3.49Å; Q314-S316 PolarHBondContact O-N 3.14Å; Q314-T317 PolarHBondContact O-OG1 3.29Å; Q314-T317 VanDerWaalsContact O-OG1 3.05Å; Q314-F374 WeakPolarHBondContact O-CZ 3.49Å; Q314-K378 VanDerWaalsContact OE1-CB 3.28Å; Q314-K378 VanDerWaalsContact OE1-CD 3.23Å
315A81.3Confident83.2Confident0 Ų026 Ų260%014%0.14CC..Hα-helixtrans-58.6-31.3-178.400000113.1V311 F312 T317 N318 L321 Y403V311-A315 WeakPolarHBondContact O-CB 3.46Å; V311-A315 PolarHBondContact O-N 2.89Å; F312-A315 PolarHBondContact O-N 2.96Å; A315-T317 PolarHBondContact O-N 3Å; A315-N318 PolarHBondContact O-N 3.4Å; A315-L321 HydrophobicContact CB-CB 3.96Å; A315-L321 HydrophobicContact CB-CD1 3.72Å; A315-L321 HydrophobicContact CB-CG 4.45Å; A315-Y403 HydrophobicContact CB-CE2 3.76Å
316S76.4Confident84.2Confident32 Ų3225.4 Ų25.422%0.22414%0.137CC..THydrogen-bonded Turntrans-62.30.2-176.3-60.70000115.6F312 Q314 L324F312-S316 PolarHBondContact O-N 2.77Å; F312-S316 PolarHBondContact O-OG 3.46Å; Q314-S316 PolarHBondContact O-N 3.14Å; S316-L324 PolarHBondContact OG-N 3.17Å; S316-L324 VanDerWaalsContact OG-N 3.08Å
317T81.9Confident85.1Confident89 Ų8920.1 Ų20.155%0.54611%0.112SC..THydrogen-bonded Turntrans-105.5-4.9173.955.70000114.4Q314 A315 F374 L592Q314-T317 PolarHBondContact O-OG1 3.29Å; Q314-T317 VanDerWaalsContact O-OG1 3.05Å; A315-T317 PolarHBondContact O-N 3Å; T317-F374 VanDerWaalsContact OG1-CZ 3.32Å; T317-F374 WeakPolarHBondContact OG1-CZ 3.4Å; T317-L592 HydrophobicContact CG2-CD1 4.19Å
318N90.4Very high86.1Confident11 Ų1119.6 Ų19.66%0.05911%0.109CC..  trans-107.4131.6-179.2-171.7-72.5000111.6A315 F320 L321 F374A315-N318 PolarHBondContact O-N 3.4Å; N318-F320 PolarHBondContact O-N 3.14Å; N318-F320 WeakPolarHBondContact OD1-CB 3.37Å; N318-F320 PolarHBondContact OD1-N 2.6Å; N318-L321 HydrophobicContact CB-CB 4.23Å; N318-L321 HydrophobicContact CB-CD1 3.85Å; N318-L321 HydrophobicContact CB-CG 3.94Å; N318-L321 PolarHBondContact O-N 3.15Å; N318-F374 HydrophobicContact CB-CD1 4.03Å; N318-F374 HydrophobicContact CB-CD2 4.3Å; N318-F374 HydrophobicContact CB-CE1 4.12Å; N318-F374 HydrophobicContact CB-CE2 4.37Å; N318-F374 HydrophobicContact CB-CG 4.13Å; N318-F374 HydrophobicContact CB-CZ 4.29Å; N318-F374 WeakPolarHBondContact ND2-CB 3.36Å; N318-F374 WeakPolarHBondContact ND2-CG 3.41Å
319P93.3Very high86.9Confident45 Ų4521.6 Ų21.629%0.29212%0.118SC..THydrogen-bonded Turntrans-71.6-12-174.330.2-36.6000114.6K399 K537P319-K399 WeakPolarHBondContact O-CE 3.18Å; P319-K537 HydrophobicContact CB-CD 4.38Å; P319-K537 WeakPolarHBondContact O-CE 3.34Å; P319-K537 PolarHBondContact O-NZ 3.21Å
320F97.1Very high87.9Confident0 Ų022.4 Ų22.40%013%0.126CC..THydrogen-bonded Turntrans-107.911.6179.6-55.7-56.2000113.5N318 E367 I370 A371 H397 I398 K399 L400 L534 K537N318-F320 PolarHBondContact O-N 3.14Å; N318-F320 WeakPolarHBondContact OD1-CB 3.37Å; N318-F320 PolarHBondContact OD1-N 2.6Å; F320-E367 HydrophobicContact CD1-CB 3.98Å; F320-E367 HydrophobicContact CD1-CG 4.21Å; F320-E367 HydrophobicContact CD2-CB 4.4Å; F320-E367 HydrophobicContact CE1-CB 3.93Å; F320-E367 VanDerWaalsContact CE1-CD 3.42Å; F320-E367 HydrophobicContact CE1-CG 3.65Å; F320-E367 WeakPolarHBondContact CE1-OE1 3.44Å; F320-E367 HydrophobicContact CE2-CB 4.34Å; F320-E367 HydrophobicContact CE2-CG 4.35Å; F320-E367 HydrophobicContact CG-CB 4.22Å; F320-E367 HydrophobicContact CZ-CB 4.1Å; F320-E367 HydrophobicContact CZ-CG 3.72Å; F320-I370 HydrophobicContact CD2-CB 4.06Å; F320-I370 HydrophobicContact CD2-CG2 3.87Å; F320-I370 HydrophobicContact CE2-CB 4.21Å; F320-I370 HydrophobicContact CE2-CD1 3.87Å; F320-I370 HydrophobicContact CE2-CG2 4.07Å; F320-A371 HydrophobicContact CB-CB 3.92Å; F320-H397 HydrophobicContact CE1-CB 4.23Å; F320-I398 WeakPolarHBondContact CA-O 3.47Å; F320-I398 HydrophobicContact CB-CD1 3.92Å; F320-I398 HydrophobicContact CD1-CG1 4.38Å; F320-I398 WeakPolarHBondContact CD1-O 3.47Å; F320-K399 WeakPolarHBondContact O-CA 3.17Å; F320-L400 PolarHBondContact O-N 3.38Å; F320-L534 HydrophobicContact CZ-CG 4.39Å; F320-L534 VanDerWaalsContact CZ-O 3.27Å; F320-L534 WeakPolarHBondContact CZ-O 3.39Å; F320-K537 HydrophobicContact CE1-CD 4.34Å; F320-K537 VanDerWaalsContact CE1-CE 3.47Å; F320-K537 HydrophobicContact CE1-CG 3.91Å; F320-K537 HydrophobicContact CZ-CG 4.12Å
321L95.8Very high88.3Confident1 Ų125 Ų251%0.00514%0.138CC..BIsolated β-bridgetrans-113.7160.4169.8-63-177.4000109.7A315 N318 A371 F374 L375 K399 L400 Y403A315-L321 HydrophobicContact CB-CB 3.96Å; A315-L321 HydrophobicContact CB-CD1 3.72Å; A315-L321 HydrophobicContact CB-CG 4.45Å; N318-L321 HydrophobicContact CB-CB 4.23Å; N318-L321 HydrophobicContact CB-CD1 3.85Å; N318-L321 HydrophobicContact CB-CG 3.94Å; N318-L321 PolarHBondContact O-N 3.15Å; L321-A371 HydrophobicContact CD2-CB 3.92Å; L321-A371 HydrophobicContact CG-CB 4.49Å; L321-F374 HydrophobicContact CD1-CD1 3.72Å; L321-F374 HydrophobicContact CD1-CE1 3.99Å; L321-L375 HydrophobicContact CD1-CD2 3.93Å; L321-L375 HydrophobicContact CD1-CG 4.15Å; L321-L375 HydrophobicContact CD2-CD1 4.3Å; L321-K399 PolarHBondContact O-NZ 3.01Å; L321-L400 HydrophobicContact CD2-CB 3.86Å; L321-L400 HydrophobicContact CD2-CD1 4.16Å; L321-L400 HydrophobicContact CD2-CG 4.27Å; L321-Y403 WeakPolarHBondContact CB-OH 3.48Å; L321-Y403 HydrophobicContact CD2-CE1 4.37Å
322V93.4Very high88.7Confident1 Ų125.4 Ų25.41%0.00614%0.14CC..PPolyproline II helixtrans-87.7120.4175.7171.70000108.7F312 I338 E339 V341 L391 K399 L400 Y403F312-V322 HydrophobicContact CE1-CG1 4.23Å; V322-I338 HydrophobicContact CG1-CB 3.99Å; V322-I338 HydrophobicContact CG1-CD1 4.18Å; V322-I338 HydrophobicContact CG1-CG1 4.41Å; V322-E339 HydrophobicContact CG1-CB 4.15Å; V322-V341 HydrophobicContact CG2-CG2 4.25Å; V322-L391 HydrophobicContact CG2-CD1 4.32Å; V322-K399 HydrophobicContact CG2-CB 3.92Å; V322-L400 WeakPolarHBondContact CG2-O 3.42Å; V322-L400 PolarHBondContact N-O 2.7Å; V322-Y403 PolarHBondContact N-OH 3.16Å
323G90.1Very high89.2Confident12 Ų1225.9 Ų25.912%0.12414%0.142CC..PPolyproline II helixtrans-73.4149.2178.500000113.5I338 E339G323-I338 WeakPolarHBondContact O-CA 3.3Å; G323-E339 PolarHBondContact N-OE2 3.13Å; G323-E339 VanDerWaalsContact N-OE2 3.1Å; G323-E339 PolarHBondContact O-N 3.14Å
324L89.7Confident89.7Confident0 Ų023.2 Ų23.20%013%0.13CC..EExtended strand (participates in β ladder)trans-95.5131169.5176.374.7000110.2F312 S316 L336 V337 I338 Y588 N590F312-L324 HydrophobicContact CB-CB 3.64Å; F312-L324 HydrophobicContact CB-CD2 3.8Å; F312-L324 HydrophobicContact CB-CG 4.19Å; F312-L324 HydrophobicContact CD1-CB 3.81Å; F312-L324 HydrophobicContact CG-CB 3.87Å; F312-L324 HydrophobicContact CG-CD1 4.39Å; F312-L324 HydrophobicContact CG-CD2 4.47Å; F312-L324 HydrophobicContact CG-CG 4.47Å; S316-L324 PolarHBondContact OG-N 3.17Å; S316-L324 VanDerWaalsContact OG-N 3.08Å; L324-L336 HydrophobicContact CD1-CB 4.23Å; L324-V337 WeakPolarHBondContact CD1-O 3.46Å; L324-I338 HydrophobicContact CD1-CG2 3.77Å; L324-Y588 HydrophobicContact CD2-CD1 3.54Å; L324-Y588 HydrophobicContact CD2-CE1 3.63Å; L324-Y588 HydrophobicContact CD2-CG 4.44Å; L324-Y588 HydrophobicContact CG-CD1 4.13Å; L324-Y588 HydrophobicContact CG-CE1 4.11Å; L324-N590 WeakPolarHBondContact O-CB 3.4Å; L324-N590 PolarHBondContact O-ND2 3.05Å
325H89.8Confident90.2Very high5 Ų521.2 Ų21.22%0.02312%0.12CC..EExtended strand (participates in β ladder)trans-90.2-54.2173.3174.8-87.3000111.6F286 V337 N590 L593 E597F286-H325 HydrophobicContact CD1-CB 4.05Å; F286-H325 HydrophobicContact CE1-CB 3.79Å; F286-H325 AromaticContact CE1-CD2 3.49Å; F286-H325 VanDerWaalsContact CE1-CD2 3.49Å; F286-H325 WeakPolarHBondContact CE1-CD2 3.48Å; F286-H325 AromaticContact CE1-CG 3.66Å; F286-H325 HydrophobicContact CZ-CB 4.49Å; F286-H325 AromaticContact CZ-CD2 3.41Å; F286-H325 VanDerWaalsContact CZ-CD2 3.41Å; F286-H325 WeakPolarHBondContact CZ-CD2 3.43Å; F286-H325 AromaticContact CZ-CG 3.87Å; F286-H325 AromaticContact CZ-NE2 3.75Å; H325-V337 WeakPolarHBondContact CA-O 3.46Å; H325-V337 HydrophobicContact CB-CB 4.4Å; H325-V337 HydrophobicContact CB-CG1 4.14Å; H325-V337 WeakPolarHBondContact CB-O 3.49Å; H325-V337 PolarHBondContact N-O 2.85Å; H325-N590 WeakPolarHBondContact O-CB 3.39Å; H325-N590 PolarHBondContact O-N 2.75Å; H325-L593 HydrophobicContact CB-CD1 4.24Å; H325-E597 IonicContact NE2-OE1 2.81Å
326S90.3Very high90.7Very high0 Ų021.5 Ų21.50%012%0.122CC..EExtended strand (participates in β ladder)trans-162.2148.7-175.256.50000112.9V337 Y588S326-V337 PolarHBondContact N-O 2.97Å; S326-V337 WeakPolarHBondContact O-CB 3.21Å; S326-V337 PolarHBondContact O-N 2.86Å; S326-V337 WeakPolarHBondContact OG-CB 3.47Å; S326-Y588 CarbonylContact C-O 3.44Å; S326-Y588 WeakPolarHBondContact CA-O 3.24Å; S326-Y588 WeakPolarHBondContact CB-O 3.21Å
327C90.6Very high91.5Very high4 Ų420 Ų203%0.02711%0.111CC..EExtended strand (participates in β ladder)trans-113139.6167.9-65.80000110.3F335 F586 E587 Y588C327-F335 WeakPolarHBondContact CA-O 3.16Å; C327-F586 HydrophobicContact CB-CD1 4.09Å; C327-F586 HydrophobicContact CB-CE1 3.64Å; C327-F586 HydrophobicContact CB-CE2 4.39Å; C327-F586 HydrophobicContact CB-CZ 3.8Å; C327-F586 VanDerWaalsContact CB-O 3.26Å; C327-F586 WeakPolarHBondContact CB-O 3.41Å; C327-E587 WeakPolarHBondContact O-CA 3.32Å; C327-Y588 PolarHBondContact N-O 2.67Å; C327-Y588 PolarHBondContact O-N 3.41Å
328F92.2Very high92Very high5 Ų516.2 Ų16.22%0.0229%0.088CC..EExtended strand (participates in β ladder)trans-152.2169.9171.266.9-98.5000110.7L255 L257 F260 M288 F335 V337 F586L255-F328 WeakPolarHBondContact O-CB 3.28Å; L257-F328 HydrophobicContact CB-CE2 3.9Å; L257-F328 HydrophobicContact CB-CZ 4.36Å; L257-F328 HydrophobicContact CD1-CZ 4.42Å; L257-F328 VanDerWaalsContact N-CE2 3.29Å; F260-F328 AromaticContact CD2-CE1 3.94Å; F260-F328 HydrophobicContact CD2-CE1 3.94Å; F260-F328 HydrophobicContact CD2-CZ 4.11Å; F260-F328 HydrophobicContact CE2-CD1 4.33Å; F260-F328 AromaticContact CE2-CE1 3.5Å; F260-F328 HydrophobicContact CE2-CE1 3.5Å; F260-F328 HydrophobicContact CE2-CZ 4.14Å; F260-F328 HydrophobicContact CZ-CE1 4.3Å; M288-F328 HydrophobicContact CE-CE1 3.97Å; M288-F328 HydrophobicContact CE-CZ 3.64Å; M288-F328 HydrophobicContact SD-CZ 4.38Å; F328-F335 HydrophobicContact CD1-CB 4.25Å; F328-F335 HydrophobicContact CD2-CB 3.86Å; F328-F335 AromaticContact CD2-CD2 3.7Å; F328-F335 HydrophobicContact CD2-CD2 3.7Å; F328-F335 HydrophobicContact CD2-CE2 4.48Å; F328-F335 AromaticContact CD2-CG 3.92Å; F328-F335 HydrophobicContact CD2-CG 3.92Å; F328-F335 HydrophobicContact CE1-CB 3.97Å; F328-F335 HydrophobicContact CE2-CB 3.53Å; F328-F335 AromaticContact CE2-CD1 3.9Å; F328-F335 HydrophobicContact CE2-CD1 3.9Å; F328-F335 AromaticContact CE2-CD2 3.42Å; F328-F335 HydrophobicContact CE2-CD2 3.42Å; F328-F335 VanDerWaalsContact CE2-CD2 3.42Å; F328-F335 HydrophobicContact CE2-CE1 4.46Å; F328-F335 HydrophobicContact CE2-CE2 4.06Å; F328-F335 AromaticContact CE2-CG 3.34Å; F328-F335 HydrophobicContact CE2-CG 3.34Å; F328-F335 HydrophobicContact CG-CB 4.2Å; F328-F335 HydrophobicContact CZ-CB 3.59Å; F328-F335 HydrophobicContact CZ-CD1 4.04Å; F328-F335 HydrophobicContact CZ-CD2 4.28Å; F328-F335 AromaticContact CZ-CG 3.74Å; F328-F335 HydrophobicContact CZ-CG 3.74Å; F328-F335 PolarHBondContact N-O 3.09Å; F328-F335 WeakPolarHBondContact O-CB 3.38Å; F328-F335 PolarHBondContact O-N 2.91Å; F328-V337 HydrophobicContact CD1-CG2 4.33Å; F328-V337 HydrophobicContact CE1-CG2 3.72Å; F328-F586 VanDerWaalsContact O-CE1 3.29Å; F328-F586 WeakPolarHBondContact O-CE1 3.25Å
329Q92.3Very high92.1Very high43 Ų4319 Ų1920%0.20110%0.1CC..EExtended strand (participates in β ladder)trans-138.3165.9-174.557.6-176.4-38.300113.9K293 R333 L334 F583 F586 E587K293-Q329 VanDerWaalsContact CE-OE1 3.23Å; Q329-R333 CarbonylContact C-O 3.54Å; Q329-R333 WeakPolarHBondContact CA-O 3.3Å; Q329-R333 WeakPolarHBondContact CB-O 3.46Å; Q329-L334 HydrophobicContact CB-CD2 3.87Å; Q329-F583 PolarHBondContact NE2-O 3.11Å; Q329-F586 HydrophobicContact CB-CD1 4.19Å; Q329-E587 VanDerWaalsContact CG-OE1 3.23Å; Q329-E587 WeakPolarHBondContact CG-OE1 3.3Å; Q329-E587 PolarHBondContact NE2-OE1 2.86Å; Q329-E587 PolarHBondContact NE2-OE2 2.61Å
330T93.2Very high92.1Very high48 Ų4818.5 Ų18.529%0.2949%0.093SC..  trans-123.6177.416061.60000108.8K293 S332 R333 F335K293-T330 WeakPolarHBondContact CE-O 3.36Å; K293-T330 PolarHBondContact NZ-O 3.26Å; T330-S332 PolarHBondContact O-N 3.16Å; T330-S332 PolarHBondContact OG1-OG 2.99Å; T330-R333 PolarHBondContact N-O 2.82Å; T330-R333 PolarHBondContact O-N 3.21Å; T330-R333 PolarHBondContact OG1-N 3.03Å; T330-F335 HydrophobicContact CG2-CE2 3.84Å; T330-F335 HydrophobicContact CG2-CZ 4.36Å
331E91.6Very high92Very high127 Ų12718.9 Ų18.959%0.59310%0.095SC*.SBendtrans-54-26.3175-58.3176.2174.700113.2I575 Q580E331-I575 HydrophobicContact CB-CG2 3.93Å; E331-Q580 PolarHBondContact O-NE2 3.46Å; E331-Q580 PolarHBondContact O-OE1 3.23Å
332S90.4Very high91.8Very high8 Ų820.2 Ų20.26%0.05610%0.103CC..SBendtrans-112.3-16-172.853.20000115.8K293 T330 D570K293-S332 PolarHBondContact N-O 3.41Å; T330-S332 PolarHBondContact O-N 3.16Å; T330-S332 PolarHBondContact OG1-OG 2.99Å; S332-D570 VanDerWaalsContact CB-CG 3.42Å; S332-D570 WeakPolarHBondContact CB-OD1 3.04Å; S332-D570 WeakPolarHBondContact CB-OD2 3.29Å; S332-D570 VanDerWaalsContact OG-CG 3.25Å; S332-D570 PolarHBondContact OG-OD1 3.41Å; S332-D570 PolarHBondContact OG-OD2 2.71Å
333R92.4Very high91.7Very high12 Ų1220.2 Ų20.25%0.04510%0.102CC..EExtended strand (participates in β ladder)trans-147.9154.4-166.6-66.6-180-170.976.917.2113.7V290 V291 K292 Q329 T330 F335 T568 D570V290-R333 HydrophobicContact CG1-CB 4.34Å; V290-R333 HydrophobicContact CG1-CG 4.35Å; V291-R333 CarbonylContact O-C 3.54Å; V291-R333 VanDerWaalsContact O-CA 3.27Å; V291-R333 WeakPolarHBondContact O-CA 3.34Å; V291-R333 WeakPolarHBondContact O-CB 3.38Å; K292-R333 HydrophobicContact CG-CG 4.38Å; Q329-R333 CarbonylContact C-O 3.54Å; Q329-R333 WeakPolarHBondContact CA-O 3.3Å; Q329-R333 WeakPolarHBondContact CB-O 3.46Å; T330-R333 PolarHBondContact N-O 2.82Å; T330-R333 PolarHBondContact O-N 3.21Å; T330-R333 PolarHBondContact OG1-N 3.03Å; R333-F335 HydrophobicContact CB-CD2 4.27Å; R333-F335 HydrophobicContact CB-CE2 3.5Å; R333-F335 VanDerWaalsContact CB-CE2 3.5Å; R333-F335 HydrophobicContact CB-CZ 3.73Å; R333-F335 HydrophobicContact CG-CZ 4.46Å; R333-T568 PolarHBondContact NH2-O 3.35Å; R333-T568 PolarHBondContact NH2-OG1 3.2Å; R333-D570 IonicContact CZ-OD1 3.56Å; R333-D570 IonicContact CZ-OD2 3.13Å; R333-D570 VanDerWaalsContact NH1-CG 3.27Å; R333-D570 IonicContact NH1-OD1 3.54Å; R333-D570 PolarHBondContact NH1-OD1 3.21Å; R333-D570 VanDerWaalsContact NH1-OD1 3.08Å; R333-D570 IonicContact NH1-OD2 2.68Å; R333-D570 PolarHBondContact NH1-OD2 2.79Å; R333-D570 IonicContact NH2-OD1 2.8Å; R333-D570 PolarHBondContact NH2-OD1 2.66Å; R333-D570 IonicContact NH2-OD2 2.71Å
334L90.3Very high91.8Very high1 Ų119.7 Ų19.71%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-111140.2167.8-55.3177.9000108.8V291 K293 V305 Q329 F583 F586V291-L334 HydrophobicContact CB-CB 4.4Å; V291-L334 PolarHBondContact N-O 3.25Å; V291-L334 PolarHBondContact O-N 3.41Å; K293-L334 HydrophobicContact CD-CD2 4.48Å; K293-L334 HydrophobicContact CG-CD2 4.19Å; K293-L334 HydrophobicContact CG-CG 4.08Å; V305-L334 HydrophobicContact CG1-CD1 3.81Å; V305-L334 HydrophobicContact CG2-CD1 3.85Å; Q329-L334 HydrophobicContact CB-CD2 3.87Å; L334-F583 HydrophobicContact CD1-CD1 3.89Å; L334-F583 HydrophobicContact CD1-CE1 3.95Å; L334-F583 HydrophobicContact CD2-CB 4.39Å; L334-F583 HydrophobicContact CD2-CD1 3.79Å; L334-F583 HydrophobicContact CD2-CE1 4.45Å; L334-F583 HydrophobicContact CD2-CG 4.27Å; L334-F583 HydrophobicContact CG-CD1 4.3Å; L334-F586 HydrophobicContact CB-CD1 4.49Å; L334-F586 HydrophobicContact CB-CE1 3.85Å; L334-F586 HydrophobicContact CB-CE2 4.47Å; L334-F586 HydrophobicContact CB-CZ 3.85Å; L334-F586 HydrophobicContact CD1-CE2 4.3Å; L334-F586 HydrophobicContact CD1-CZ 4.48Å; L334-F586 HydrophobicContact CD2-CD1 3.82Å; L334-F586 HydrophobicContact CD2-CD2 4.36Å; L334-F586 HydrophobicContact CD2-CE1 4.05Å; L334-F586 HydrophobicContact CD2-CG 3.98Å; L334-F586 HydrophobicContact CD2-CZ 4.44Å; L334-F586 HydrophobicContact CG-CE1 4.46Å; L334-F586 HydrophobicContact CG-CZ 4.49Å
335F92.3Very high91.9Very high1 Ų121.5 Ų21.50%0.00411%0.107CC..EExtended strand (participates in β ladder)trans-126.8120.6-177.9-58.3-100.3000109.3L257 M288 V290 C327 F328 T330 R333 L567L257-F335 HydrophobicContact CD1-CD1 4.31Å; L257-F335 HydrophobicContact CD1-CE1 3.82Å; L257-F335 HydrophobicContact CD1-CZ 4.34Å; L257-F335 HydrophobicContact CD2-CE1 4.24Å; L257-F335 HydrophobicContact CD2-CZ 4.01Å; M288-F335 HydrophobicContact CG-CB 4.48Å; M288-F335 HydrophobicContact CG-CD1 4.14Å; M288-F335 HydrophobicContact SD-CD1 3.62Å; M288-F335 HydrophobicContact SD-CE1 4.27Å; V290-F335 HydrophobicContact CB-CD1 4.33Å; V290-F335 HydrophobicContact CB-CE1 4.41Å; V290-F335 HydrophobicContact CG1-CD1 3.86Å; V290-F335 HydrophobicContact CG1-CE1 3.58Å; V290-F335 HydrophobicContact CG1-CZ 4.14Å; V290-F335 HydrophobicContact CG2-CD1 3.75Å; V290-F335 HydrophobicContact CG2-CE1 3.96Å; C327-F335 WeakPolarHBondContact CA-O 3.16Å; F328-F335 HydrophobicContact CD1-CB 4.25Å; F328-F335 HydrophobicContact CD2-CB 3.86Å; F328-F335 AromaticContact CD2-CD2 3.7Å; F328-F335 HydrophobicContact CD2-CD2 3.7Å; F328-F335 HydrophobicContact CD2-CE2 4.48Å; F328-F335 AromaticContact CD2-CG 3.92Å; F328-F335 HydrophobicContact CD2-CG 3.92Å; F328-F335 HydrophobicContact CE1-CB 3.97Å; F328-F335 HydrophobicContact CE2-CB 3.53Å; F328-F335 AromaticContact CE2-CD1 3.9Å; F328-F335 HydrophobicContact CE2-CD1 3.9Å; F328-F335 AromaticContact CE2-CD2 3.42Å; F328-F335 HydrophobicContact CE2-CD2 3.42Å; F328-F335 VanDerWaalsContact CE2-CD2 3.42Å; F328-F335 HydrophobicContact CE2-CE1 4.46Å; F328-F335 HydrophobicContact CE2-CE2 4.06Å; F328-F335 AromaticContact CE2-CG 3.34Å; F328-F335 HydrophobicContact CE2-CG 3.34Å; F328-F335 HydrophobicContact CG-CB 4.2Å; F328-F335 HydrophobicContact CZ-CB 3.59Å; F328-F335 HydrophobicContact CZ-CD1 4.04Å; F328-F335 HydrophobicContact CZ-CD2 4.28Å; F328-F335 AromaticContact CZ-CG 3.74Å; F328-F335 HydrophobicContact CZ-CG 3.74Å; F328-F335 PolarHBondContact N-O 3.09Å; F328-F335 WeakPolarHBondContact O-CB 3.38Å; F328-F335 PolarHBondContact O-N 2.91Å; T330-F335 HydrophobicContact CG2-CE2 3.84Å; T330-F335 HydrophobicContact CG2-CZ 4.36Å; R333-F335 HydrophobicContact CB-CD2 4.27Å; R333-F335 HydrophobicContact CB-CE2 3.5Å; R333-F335 VanDerWaalsContact CB-CE2 3.5Å; R333-F335 HydrophobicContact CB-CZ 3.73Å; R333-F335 HydrophobicContact CG-CZ 4.46Å; F335-L567 HydrophobicContact CE1-CD1 3.98Å; F335-L567 HydrophobicContact CZ-CD1 4.03Å
336L90.8Very high92.1Very high6 Ų621.3 Ų21.33%0.03111%0.106CC..EExtended strand (participates in β ladder)trans-108.5114.6170.5-58.682.7000107.8M288 K289 E308 F312 L324 I338 F586M288-L336 CarbonylContact C-O 3.6Å; M288-L336 WeakPolarHBondContact CA-O 3.47Å; K289-L336 HydrophobicContact CB-CB 4.31Å; K289-L336 PolarHBondContact N-O 2.74Å; K289-L336 PolarHBondContact O-N 3.25Å; E308-L336 HydrophobicContact CG-CD2 4.01Å; F312-L336 HydrophobicContact CD2-CD2 3.98Å; F312-L336 HydrophobicContact CE2-CD2 3.96Å; L324-L336 HydrophobicContact CD1-CB 4.23Å; L336-I338 HydrophobicContact CB-CG2 4.49Å; L336-F586 HydrophobicContact CD1-CZ 3.95Å; L336-F586 HydrophobicContact CG-CZ 4.05Å
337V93.4Very high92.1Very high0 Ų023.7 Ų23.70%012%0.118CC..EExtended strand (participates in β ladder)trans-93.5116.8175.8-173.70000107.8F260 F286 A287 M288 L324 H325 S326 F328F260-V337 HydrophobicContact CE1-CG1 3.92Å; F260-V337 HydrophobicContact CE1-CG2 4.18Å; F260-V337 HydrophobicContact CE2-CG2 4.28Å; F260-V337 HydrophobicContact CZ-CG1 4.16Å; F260-V337 HydrophobicContact CZ-CG2 3.8Å; F286-V337 HydrophobicContact CB-CG1 3.54Å; F286-V337 HydrophobicContact CD1-CG1 4.11Å; F286-V337 HydrophobicContact CD2-CG1 4.26Å; F286-V337 HydrophobicContact CG-CG1 3.73Å; A287-V337 WeakPolarHBondContact O-CA 3.01Å; M288-V337 HydrophobicContact CE-CG2 3.98Å; M288-V337 HydrophobicContact CG-CG2 4.45Å; L324-V337 WeakPolarHBondContact CD1-O 3.46Å; H325-V337 WeakPolarHBondContact CA-O 3.46Å; H325-V337 HydrophobicContact CB-CB 4.4Å; H325-V337 HydrophobicContact CB-CG1 4.14Å; H325-V337 WeakPolarHBondContact CB-O 3.49Å; H325-V337 PolarHBondContact N-O 2.85Å; S326-V337 PolarHBondContact N-O 2.97Å; S326-V337 WeakPolarHBondContact O-CB 3.21Å; S326-V337 PolarHBondContact O-N 2.86Å; S326-V337 WeakPolarHBondContact OG-CB 3.47Å; F328-V337 HydrophobicContact CD1-CG2 4.33Å; F328-V337 HydrophobicContact CE1-CG2 3.72Å
338I92.8Very high91.9Very high11 Ų1125.3 Ų25.36%0.05613%0.125CC..EExtended strand (participates in β ladder)trans-127.2162.1-171.358.2174.3000110.1A287 F312 V322 G323 L324 L336 Y340A287-I338 HydrophobicContact CB-CD1 4.39Å; A287-I338 HydrophobicContact CB-CG1 3.89Å; A287-I338 PolarHBondContact N-O 3.5Å; A287-I338 WeakPolarHBondContact O-CG1 3.35Å; A287-I338 PolarHBondContact O-N 2.83Å; F312-I338 HydrophobicContact CD1-CG2 4.14Å; F312-I338 HydrophobicContact CE1-CB 4.37Å; F312-I338 HydrophobicContact CE1-CG2 3.56Å; F312-I338 HydrophobicContact CE2-CG2 4.26Å; F312-I338 HydrophobicContact CZ-CD1 4.41Å; F312-I338 HydrophobicContact CZ-CG2 3.65Å; V322-I338 HydrophobicContact CG1-CB 3.99Å; V322-I338 HydrophobicContact CG1-CD1 4.18Å; V322-I338 HydrophobicContact CG1-CG1 4.41Å; G323-I338 WeakPolarHBondContact O-CA 3.3Å; L324-I338 HydrophobicContact CD1-CG2 3.77Å; L336-I338 HydrophobicContact CB-CG2 4.49Å; I338-Y340 PolarHBondContact O-N 3.09Å
339E92.3Very high91.7Very high68 Ų6825.6 Ų25.632%0.31813%0.126SC..EExtended strand (participates in β ladder)trans-51.6132.2175.3-178.2-173.8176.500111.9V322 G323 V341 K399V322-E339 HydrophobicContact CG1-CB 4.15Å; G323-E339 PolarHBondContact N-OE2 3.13Å; G323-E339 VanDerWaalsContact N-OE2 3.1Å; G323-E339 PolarHBondContact O-N 3.14Å; E339-V341 HydrophobicContact CG-CG2 4.26Å; E339-K399 WeakPolarHBondContact OE1-CE 3.23Å; E339-K399 IonicContact OE1-NZ 3.88Å; E339-K399 PolarHBondContact OE1-NZ 3.41Å; E339-K399 IonicContact OE2-NZ 2.74Å; E339-K399 PolarHBondContact OE2-NZ 3.11Å
340Y94.3Very high91.6Very high35 Ų3524.3 Ų24.314%0.13712%0.12CC..  trans-85123.5174.3-178.4-131.9000110.8I266 L276 V285 A287 I338 N342 Y551 F556I266-Y340 HydrophobicContact CD1-CD2 4.09Å; I266-Y340 HydrophobicContact CD1-CE2 3.82Å; L276-Y340 HydrophobicContact CD1-CD1 3.62Å; L276-Y340 HydrophobicContact CD1-CD2 3.69Å; L276-Y340 HydrophobicContact CD1-CE1 3.51Å; L276-Y340 HydrophobicContact CD1-CE2 3.62Å; L276-Y340 HydrophobicContact CD1-CG 3.7Å; L276-Y340 HydrophobicContact CD2-CE1 4.38Å; V285-Y340 HydrophobicContact CG1-CD1 3.69Å; V285-Y340 HydrophobicContact CG1-CE1 4.27Å; V285-Y340 HydrophobicContact CG1-CG 4.26Å; A287-Y340 HydrophobicContact CB-CD2 4.3Å; I338-Y340 PolarHBondContact O-N 3.09Å; Y340-N342 HydrophobicContact CD1-CB 4.21Å; Y340-N342 HydrophobicContact CE1-CB 3.61Å; Y340-N342 HydrophobicContact CE2-CB 4.4Å; Y340-Y551 VanDerWaalsContact CE1-O 3.32Å; Y340-Y551 WeakPolarHBondContact CE1-O 3.4Å; Y340-Y551 PolarHBondContact OH-O 3.5Å; Y340-Y551 VanDerWaalsContact OH-O 3.09Å; Y340-F556 HydrophobicContact CE2-CE1 4.33Å; Y340-F556 HydrophobicContact CE2-CE2 4.07Å; Y340-F556 AromaticContact CE2-CZ 3.54Å; Y340-F556 HydrophobicContact CE2-CZ 3.54Å; Y340-F556 AromaticContact CZ-CE2 3.97Å; Y340-F556 AromaticContact CZ-CZ 3.93Å; Y340-F556 WeakPolarHBondContact OH-CE2 3.46Å
341V94.2Very high91.3Very high8 Ų828.2 Ų28.25%0.04814%0.135CC..  trans-119.5113.8-178-1770000107.9V322 E339 L391 L392 D393 K399 F556V322-V341 HydrophobicContact CG2-CG2 4.25Å; E339-V341 HydrophobicContact CG-CG2 4.26Å; V341-L391 HydrophobicContact CB-CB 4.19Å; V341-L391 HydrophobicContact CB-CD1 3.88Å; V341-L391 HydrophobicContact CG1-CB 3.62Å; V341-L391 HydrophobicContact CG1-CD1 4.27Å; V341-L391 HydrophobicContact CG2-CD1 4.32Å; V341-L392 WeakPolarHBondContact CG1-O 3.44Å; V341-D393 HydrophobicContact CG1-CB 4.31Å; V341-K399 HydrophobicContact CG1-CD 4.47Å; V341-K399 HydrophobicContact CG2-CB 4.44Å; V341-K399 HydrophobicContact CG2-CD 3.69Å; V341-F556 WeakPolarHBondContact O-CZ 3.37Å
342N91.7Very high91Very high30 Ų3029.3 Ų29.316%0.1613%0.133CC..  trans-1155.9-159.669.2-19.1000116.4Y340 G344 Y551 N555Y340-N342 HydrophobicContact CD1-CB 4.21Å; Y340-N342 HydrophobicContact CE1-CB 3.61Å; Y340-N342 HydrophobicContact CE2-CB 4.4Å; N342-G344 PolarHBondContact O-N 2.98Å; N342-Y551 WeakPolarHBondContact CB-O 3.44Å; N342-Y551 PolarHBondContact ND2-O 3.29Å; N342-N555 PolarHBondContact O-ND2 3.28Å
343G91.9Very high90.8Very high0 Ų034.2 Ų34.20%016%0.156CC..SBendtrans-72.3-16.117200000113.9H349 L392 N555G343-H349 PolarHBondContact O-CE1 3.15Å; G343-H349 PolarHBondContact O-NE2 3.08Å; G343-H349 VanDerWaalsContact O-NE2 3.17Å; G343-L392 WeakPolarHBondContact CA-O 3.11Å; G343-L392 PolarHBondContact N-O 3.1Å; G343-N555 VanDerWaalsContact O-CB 3.31Å; G343-N555 WeakPolarHBondContact O-CB 3.49Å; G343-N555 VanDerWaalsContact O-CG 3.28Å
344G91.7Very high90.7Very high2 Ų243.4 Ų43.42%0.02119%0.19CC..  trans99.4-163.6-170.400000111.7N342 L391 L392 N555N342-G344 PolarHBondContact O-N 2.98Å; G344-L391 CarbonylContact O-C 3.32Å; G344-L391 WeakPolarHBondContact O-CA 3.2Å; G344-L392 PolarHBondContact O-N 2.92Å; G344-N555 WeakPolarHBondContact CA-O 3.39Å
345D91.8Very high90.8Very high37 Ų3749.4 Ų49.420%0.19822%0.216CC..BIsolated β-bridgetrans-119.5160.6178.36570.8000112.5M347 F348 H349 V390 L391D345-M347 PolarHBondContact O-N 3.37Å; D345-M347 VanDerWaalsContact OD1-CA 3.27Å; D345-M347 WeakPolarHBondContact OD1-CA 3.28Å; D345-M347 WeakPolarHBondContact OD1-CB 3.35Å; D345-M347 PolarHBondContact OD1-N 3.38Å; D345-F348 PolarHBondContact O-N 3.41Å; D345-F348 PolarHBondContact OD1-N 3.35Å; D345-H349 PolarHBondContact O-CD2 3.43Å; D345-H349 PolarHBondContact O-N 3.46Å; D345-V390 WeakPolarHBondContact CA-O 3.44Å; D345-L391 HydrophobicContact CB-CD2 3.87Å
346L93.6Very high91Very high1 Ų150.2 Ų50.21%0.00522%0.221CC..Hα-helixtrans-64.6-22.2-180-75.2-171.1000113.2M350 Y364 L387 V390 L392 L448 M452L346-M350 WeakPolarHBondContact O-CB 3.31Å; L346-M350 WeakPolarHBondContact O-CG 3.24Å; L346-M350 PolarHBondContact O-N 3.45Å; L346-Y364 HydrophobicContact CD1-CD2 4.34Å; L346-Y364 HydrophobicContact CD2-CD2 3.96Å; L346-Y364 HydrophobicContact CD2-CE2 3.86Å; L346-L387 HydrophobicContact CB-CD2 3.94Å; L346-L387 PolarHBondContact N-O 2.84Å; L346-V390 HydrophobicContact CB-CB 4.29Å; L346-V390 HydrophobicContact CD1-CB 3.8Å; L346-V390 HydrophobicContact CD1-CG1 3.54Å; L346-V390 HydrophobicContact CD1-CG2 4.44Å; L346-V390 HydrophobicContact CG-CB 3.98Å; L346-V390 HydrophobicContact CG-CG1 3.88Å; L346-V390 PolarHBondContact N-O 3.33Å; L346-L392 HydrophobicContact CD2-CD1 4.29Å; L346-L392 HydrophobicContact CD2-CD2 3.97Å; L346-L392 HydrophobicContact CD2-CG 4.16Å; L346-L448 HydrophobicContact CD1-CD2 4.41Å; L346-M452 HydrophobicContact CD1-SD 4.2Å
347M90.6Very high91.3Very high51 Ų5153.3 Ų53.325%0.25124%0.241SC..Hα-helixtrans-68-49.3173.3176.967.779.700110.1D345 H349 M350 Q351 L387 D388D345-M347 PolarHBondContact O-N 3.37Å; D345-M347 VanDerWaalsContact OD1-CA 3.27Å; D345-M347 WeakPolarHBondContact OD1-CA 3.28Å; D345-M347 WeakPolarHBondContact OD1-CB 3.35Å; D345-M347 PolarHBondContact OD1-N 3.38Å; M347-H349 PolarHBondContact O-N 3.01Å; M347-M350 PolarHBondContact O-N 2.76Å; M347-Q351 WeakPolarHBondContact O-CG 3.48Å; M347-Q351 PolarHBondContact O-N 3.18Å; M347-L387 HydrophobicContact CB-CB 3.87Å; M347-L387 HydrophobicContact CE-CB 4.13Å; M347-L387 HydrophobicContact CE-CD1 4.25Å; M347-L387 PolarHBondContact N-O 2.76Å; M347-L387 HydrophobicContact SD-CD1 4.32Å; M347-D388 HydrophobicContact CB-CB 4.43Å; M347-D388 WeakPolarHBondContact CE-OD1 3.5Å; M347-D388 WeakPolarHBondContact CG-OD1 3.05Å
348F87Confident91.5Very high38 Ų3855.2 Ų55.217%0.16725%0.25CS..Hα-helixtrans-60.5-42.7175.6-179.6-109.4000112.1D345 Q351 R352 E554 N555D345-F348 PolarHBondContact O-N 3.41Å; D345-F348 PolarHBondContact OD1-N 3.35Å; F348-Q351 PolarHBondContact O-N 2.77Å; F348-R352 WeakPolarHBondContact O-CG 3.18Å; F348-R352 PolarHBondContact O-N 2.88Å; F348-E554 WeakPolarHBondContact CZ-O 3.34Å; F348-N555 HydrophobicContact CE1-CB 4.29Å
349H87.4Confident91.7Very high11 Ų1159.3 Ų59.35%0.05127%0.272CS..Hα-helixtrans-63.9-40.5173.6-62.8-48.6000112.5G343 D345 M347 R352 Q353 L392 F543G343-H349 PolarHBondContact O-CE1 3.15Å; G343-H349 PolarHBondContact O-NE2 3.08Å; G343-H349 VanDerWaalsContact O-NE2 3.17Å; D345-H349 PolarHBondContact O-CD2 3.43Å; D345-H349 PolarHBondContact O-N 3.46Å; M347-H349 PolarHBondContact O-N 3.01Å; H349-R352 PolarHBondContact O-N 3.2Å; H349-Q353 WeakPolarHBondContact O-CB 3.27Å; H349-Q353 PolarHBondContact O-N 3.2Å; H349-L392 VanDerWaalsContact CD2-CD1 3.47Å; H349-L392 WeakPolarHBondContact CD2-CD1 3.33Å; H349-L392 WeakPolarHBondContact NE2-CD1 3.4Å; H349-F543 AromaticContact CE1-CE1 3.69Å; H349-F543 AromaticContact ND1-CE1 3.75Å
350M89.2Confident92Very high15 Ų1558.5 Ų58.57%0.07427%0.268CS..Hα-helixtrans-66.1-38.4175.8-81.6-64.2-65.600112.8L346 M347 R352 R354 L356 L387 E451L346-M350 WeakPolarHBondContact O-CB 3.31Å; L346-M350 WeakPolarHBondContact O-CG 3.24Å; L346-M350 PolarHBondContact O-N 3.45Å; M347-M350 PolarHBondContact O-N 2.76Å; M350-R352 VanDerWaalsContact C-N 3.28Å; M350-R352 PolarHBondContact O-N 3.37Å; M350-R354 WeakPolarHBondContact O-CA 3.14Å; M350-R354 PolarHBondContact O-N 2.9Å; M350-L356 HydrophobicContact SD-CD1 4.39Å; M350-L356 HydrophobicContact SD-CD2 4.37Å; M350-L356 HydrophobicContact SD-CG 3.82Å; M350-L387 HydrophobicContact CB-CD1 4.49Å; M350-L387 HydrophobicContact CG-CD1 4.24Å; M350-L387 HydrophobicContact CG-CD2 4.1Å; M350-E451 WeakPolarHBondContact CE-O 3.16Å
351Q87.4Confident92.1Very high131 Ų13156.8 Ų56.861%0.61226%0.262SS*.Hα-helixtrans-61-38174.6-71.6174.721.800111.8M347 F348M347-Q351 WeakPolarHBondContact O-CG 3.48Å; M347-Q351 PolarHBondContact O-N 3.18Å; F348-Q351 PolarHBondContact O-N 2.77Å
352R85Confident92.3Very high149 Ų14957.5 Ų57.556%0.56226%0.263SS*.Hα-helixtrans-76.8-44.4179.3-65.5173.378.81753.1112.9F348 H349 M350F348-R352 WeakPolarHBondContact O-CG 3.18Å; F348-R352 PolarHBondContact O-N 2.88Å; H349-R352 PolarHBondContact O-N 3.2Å; M350-R352 VanDerWaalsContact C-N 3.28Å; M350-R352 PolarHBondContact O-N 3.37Å
353Q86.8Confident92.7Very high112 Ų11256.6 Ų56.652%0.52326%0.258SS..Hα-helixtrans-85.2-19.9-178.1-65.6-66.2-1000114H349 K355 L356H349-Q353 WeakPolarHBondContact O-CB 3.27Å; H349-Q353 PolarHBondContact O-N 3.2Å; Q353-K355 PolarHBondContact O-N 3.37Å; Q353-L356 HydrophobicContact CB-CD2 4.18Å; Q353-L356 HydrophobicContact CG-CD2 4.28Å
354R90.1Very high93Very high204 Ų20456.8 Ų56.877%0.7726%0.259SS*.SBendtrans62-33.6-168.2-55.2-176.3178.4-161.2-2.4115.8M350 G455M350-R354 WeakPolarHBondContact O-CA 3.14Å; M350-R354 PolarHBondContact O-N 2.9Å; R354-G455 WeakPolarHBondContact O-CA 3.37Å
355K93.4Very high93.3Very high127 Ų12756.7 Ų56.755%0.55226%0.258SS*.SBendtrans-159.6154.6172.159.6169.7-172.71670110.3Q353Q353-K355 PolarHBondContact O-N 3.37Å
356L95.9Very high93.6Very high18 Ų1855 Ų559%0.09425%0.248CC..  trans-99.6151.7175.6-56.6-176000111.6M350 Q353 H360 Y364 M452M350-L356 HydrophobicContact SD-CD1 4.39Å; M350-L356 HydrophobicContact SD-CD2 4.37Å; M350-L356 HydrophobicContact SD-CG 3.82Å; Q353-L356 HydrophobicContact CB-CD2 4.18Å; Q353-L356 HydrophobicContact CG-CD2 4.28Å; L356-H360 HydrophobicContact CB-CB 4.16Å; L356-H360 HydrophobicContact CD1-CB 4.48Å; L356-Y364 HydrophobicContact CD1-CD2 3.89Å; L356-Y364 HydrophobicContact CD1-CE2 3.79Å; L356-M452 HydrophobicContact CD1-CB 4.18Å; L356-M452 HydrophobicContact CD1-CG 3.96Å; L356-M452 HydrophobicContact CD1-SD 3.85Å; L356-M452 PolarHBondContact N-O 2.88Å
357P96.8Very high93.9Very high71 Ų7154.9 Ų54.946%0.46125%0.248SC..  trans-62.3151.8164.2-18.931.8000111.5D359 H360 A361P357-D359 PolarHBondContact O-N 3.19Å; P357-D359 VanDerWaalsContact O-N 3.1Å; P357-H360 PolarHBondContact O-N 2.8Å; P357-A361 PolarHBondContact O-N 2.63Å
358E97.6Very high94.3Very high41 Ų4152.5 Ų52.519%0.19224%0.236CC..Hα-helixtrans-57.3-29180-65-170-166.400113.3R362 M453 L489 S490 A493 F525E358-R362 VanDerWaalsContact O-CB 3.28Å; E358-R362 WeakPolarHBondContact O-CB 3.41Å; E358-R362 PolarHBondContact O-N 3.38Å; E358-M453 HydrophobicContact CB-SD 4.32Å; E358-M453 HydrophobicContact CG-CG 4.46Å; E358-M453 HydrophobicContact CG-SD 3.9Å; E358-L489 WeakPolarHBondContact OE1-CA 3.37Å; E358-S490 WeakPolarHBondContact OE1-CB 3.23Å; E358-S490 PolarHBondContact OE1-N 2.8Å; E358-S490 PolarHBondContact OE1-OG 2.94Å; E358-S490 VanDerWaalsContact OE2-CB 3.24Å; E358-S490 WeakPolarHBondContact OE2-CB 3.34Å; E358-S490 PolarHBondContact OE2-OG 2.82Å; E358-A493 HydrophobicContact CG-CB 4.38Å; E358-A493 WeakPolarHBondContact OE2-CB 3.45Å; E358-F525 HydrophobicContact CB-CE2 4.34Å
359D97.3Very high94.8Very high97 Ų9750.7 Ų50.752%0.51923%0.228SC..Hα-helixtrans-72-35.4178.5-61.1-33.6000112.5P357 R362 F363P357-D359 PolarHBondContact O-N 3.19Å; P357-D359 VanDerWaalsContact O-N 3.1Å; D359-R362 IonicContact OD1-CZ 3.1Å; D359-R362 IonicContact OD1-NH1 2.69Å; D359-R362 PolarHBondContact OD1-NH1 3.49Å; D359-R362 IonicContact OD1-NH2 3.75Å; D359-R362 PolarHBondContact OD1-NH2 2.67Å; D359-F363 PolarHBondContact O-N 3.13Å
360H97.5Very high95.3Very high50 Ų5050.3 Ų50.323%0.23123%0.227CC..Hα-helixtrans-71.8-46.4173.9-65.6-129.8000110.1L356 P357 R362 F363 Y364 P542L356-H360 HydrophobicContact CB-CB 4.16Å; L356-H360 HydrophobicContact CD1-CB 4.48Å; P357-H360 PolarHBondContact O-N 2.8Å; H360-R362 PolarHBondContact O-N 2.84Å; H360-F363 PolarHBondContact O-N 3.22Å; H360-F363 VanDerWaalsContact O-N 3.13Å; H360-Y364 PolarHBondContact O-N 3.33Å; H360-Y364 VanDerWaalsContact O-N 3.14Å; H360-P542 HydrophobicContact CB-CB 4.36Å; H360-P542 HydrophobicContact CB-CG 4.15Å; H360-P542 PolarHBondContact CE1-O 3.47Å
361A98.1Very high95.7Very high0 Ų049.6 Ų49.60%022%0.223CC..Hα-helixtrans-61-31.9176.700000112.4P357 A365 M452 M453P357-A361 PolarHBondContact O-N 2.63Å; A361-A365 WeakPolarHBondContact O-CB 3.28Å; A361-A365 PolarHBondContact O-N 2.76Å; A361-A365 VanDerWaalsContact O-N 3.09Å; A361-M452 HydrophobicContact CB-CB 3.97Å; A361-M452 HydrophobicContact CB-CE 4.05Å; A361-M452 HydrophobicContact CB-SD 4.36Å; A361-M453 HydrophobicContact CB-CG 3.49Å; A361-M453 VanDerWaalsContact CB-CG 3.49Å; A361-M453 HydrophobicContact CB-SD 4.16Å
362R98.6Very high96.2Very high22 Ų2243.4 Ų43.48%0.08319%0.194CC..Hα-helixtrans-67.7-43.9172.6-174.2-165.1-55.4114.218.3112.7E358 D359 H360 A366 F525 F526 I529E358-R362 VanDerWaalsContact O-CB 3.28Å; E358-R362 WeakPolarHBondContact O-CB 3.41Å; E358-R362 PolarHBondContact O-N 3.38Å; D359-R362 IonicContact OD1-CZ 3.1Å; D359-R362 IonicContact OD1-NH1 2.69Å; D359-R362 PolarHBondContact OD1-NH1 3.49Å; D359-R362 IonicContact OD1-NH2 3.75Å; D359-R362 PolarHBondContact OD1-NH2 2.67Å; H360-R362 PolarHBondContact O-N 2.84Å; R362-A366 WeakPolarHBondContact O-CB 3.39Å; R362-A366 PolarHBondContact O-N 3.45Å; R362-F525 HydrophobicContact CB-CD1 4.39Å; R362-F525 HydrophobicContact CB-CE1 3.6Å; R362-F525 HydrophobicContact CB-CZ 3.74Å; R362-F525 VanDerWaalsContact CD-O 3.24Å; R362-F525 WeakPolarHBondContact CD-O 3.29Å; R362-F525 HydrophobicContact CG-CD1 4.08Å; R362-F525 HydrophobicContact CG-CE1 3.77Å; R362-F525 HydrophobicContact CG-CZ 4.31Å; R362-F525 PolarHBondContact NE-O 3.47Å; R362-F526 HydrophobicContact CG-CD1 3.75Å; R362-F526 HydrophobicContact CG-CE1 4.19Å; R362-I529 HydrophobicContact CG-CD1 4.03Å; R362-I529 HydrophobicContact CG-CG1 3.95Å
363F98.5Very high96.7Very high12 Ų1237.3 Ų37.35%0.05317%0.173CC..Hα-helixtrans-60.8-58.5-179.7-174-86.4000110.4D359 H360 A365 A366 E367 H397 L534 M539 A541 P542D359-F363 PolarHBondContact O-N 3.13Å; H360-F363 PolarHBondContact O-N 3.22Å; H360-F363 VanDerWaalsContact O-N 3.13Å; F363-A365 VanDerWaalsContact C-N 3.33Å; F363-A365 PolarHBondContact O-N 3.41Å; F363-A366 WeakPolarHBondContact O-CB 3.44Å; F363-A366 PolarHBondContact O-N 3.29Å; F363-E367 HydrophobicContact CD1-CG 4.42Å; F363-E367 HydrophobicContact CE1-CG 4.19Å; F363-E367 WeakPolarHBondContact CE1-OE1 3.23Å; F363-E367 WeakPolarHBondContact CE1-OE2 3.26Å; F363-E367 WeakPolarHBondContact CZ-OE1 3.38Å; F363-E367 PolarHBondContact O-N 3.02Å; F363-E367 VanDerWaalsContact O-N 3.11Å; F363-H397 AromaticContact CZ-CE1 3.95Å; F363-H397 AromaticContact CZ-ND1 3.79Å; F363-L534 HydrophobicContact CD2-CD1 4.23Å; F363-L534 HydrophobicContact CE1-CD1 4.43Å; F363-L534 HydrophobicContact CE2-CD1 3.63Å; F363-L534 HydrophobicContact CZ-CD1 3.74Å; F363-M539 HydrophobicContact CE2-CB 4Å; F363-A541 HydrophobicContact CE1-CB 3.96Å; F363-A541 HydrophobicContact CZ-CB 4.09Å; F363-P542 HydrophobicContact CB-CG 4.01Å; F363-P542 HydrophobicContact CD1-CG 4.05Å; F363-P542 HydrophobicContact CG-CG 4.05Å
364Y98.6Very high97.2Very high4 Ų433.6 Ų33.62%0.01616%0.155CC..Hα-helixtrans-60.4-40.2179-57-34.8000112.4L346 L356 H360 A366 E367 I368 L392 G396 I398 M452 P542L346-Y364 HydrophobicContact CD1-CD2 4.34Å; L346-Y364 HydrophobicContact CD2-CD2 3.96Å; L346-Y364 HydrophobicContact CD2-CE2 3.86Å; L356-Y364 HydrophobicContact CD1-CD2 3.89Å; L356-Y364 HydrophobicContact CD1-CE2 3.79Å; H360-Y364 PolarHBondContact O-N 3.33Å; H360-Y364 VanDerWaalsContact O-N 3.14Å; Y364-A366 VanDerWaalsContact C-N 3.28Å; Y364-A366 PolarHBondContact O-N 3.18Å; Y364-E367 PolarHBondContact O-N 2.84Å; Y364-I368 WeakPolarHBondContact O-CB 3.38Å; Y364-I368 WeakPolarHBondContact O-CD1 3.39Å; Y364-I368 WeakPolarHBondContact O-CG1 3.34Å; Y364-I368 PolarHBondContact O-N 3.2Å; Y364-L392 HydrophobicContact CD1-CD2 4.46Å; Y364-L392 HydrophobicContact CE1-CD2 4.09Å; Y364-G396 WeakPolarHBondContact CE1-O 3.12Å; Y364-I398 HydrophobicContact CD1-CG2 3.66Å; Y364-I398 HydrophobicContact CE1-CG2 4.49Å; Y364-I398 HydrophobicContact CG-CG2 4.01Å; Y364-M452 HydrophobicContact CD2-SD 4.04Å; Y364-P542 HydrophobicContact CE1-CG 4.07Å
365A98.6Very high97.4Very high0 Ų023.9 Ų23.90%012%0.118CC..Hα-helixtrans-63.8-32.317600000113.1A361 F363 C369 L445 M449 M452 F526A361-A365 WeakPolarHBondContact O-CB 3.28Å; A361-A365 PolarHBondContact O-N 2.76Å; A361-A365 VanDerWaalsContact O-N 3.09Å; F363-A365 VanDerWaalsContact C-N 3.33Å; F363-A365 PolarHBondContact O-N 3.41Å; A365-C369 WeakPolarHBondContact O-CB 3.42Å; A365-C369 PolarHBondContact O-N 2.62Å; A365-C369 PolarHBondContact O-SG 2.85Å; A365-L445 HydrophobicContact CB-CD1 4.23Å; A365-M449 HydrophobicContact CB-CE 3.8Å; A365-M449 HydrophobicContact CB-CG 3.75Å; A365-M449 HydrophobicContact CB-SD 3.69Å; A365-M452 HydrophobicContact CB-CE 4.43Å; A365-F526 HydrophobicContact CB-CE1 3.99Å; A365-F526 HydrophobicContact CB-CZ 4.11Å
366A98.6Very high97.5Very high0 Ų018.7 Ų18.70%010%0.096CC..Hα-helixtrans-72.7-38.9176.800000112.1R362 F363 Y364 C369 I370 F526 I529 W531 L534R362-A366 WeakPolarHBondContact O-CB 3.39Å; R362-A366 PolarHBondContact O-N 3.45Å; F363-A366 WeakPolarHBondContact O-CB 3.44Å; F363-A366 PolarHBondContact O-N 3.29Å; Y364-A366 VanDerWaalsContact C-N 3.28Å; Y364-A366 PolarHBondContact O-N 3.18Å; A366-C369 WeakPolarHBondContact O-CB 3.49Å; A366-C369 PolarHBondContact O-N 2.72Å; A366-I370 WeakPolarHBondContact O-CG1 3.41Å; A366-I370 PolarHBondContact O-N 2.78Å; A366-I370 VanDerWaalsContact O-N 3.08Å; A366-F526 HydrophobicContact CB-CD1 4.1Å; A366-F526 HydrophobicContact CB-CE1 4.12Å; A366-I529 HydrophobicContact CB-CD1 4.31Å; A366-I529 HydrophobicContact CB-CG1 4.02Å; A366-I529 HydrophobicContact CB-CG2 4.09Å; A366-W531 HydrophobicContact CB-CE3 4.49Å; A366-W531 HydrophobicContact CB-CH2 3.76Å; A366-W531 HydrophobicContact CB-CZ2 4.4Å; A366-W531 HydrophobicContact CB-CZ3 3.81Å; A366-W531 WeakPolarHBondContact O-CZ3 3.26Å; A366-L534 HydrophobicContact CB-CD2 3.45Å; A366-L534 VanDerWaalsContact CB-CD2 3.45Å
367E98.6Very high97.4Very high0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-65.4-44.7173.1-62.1-174.2142.600111.7F320 F363 Y364 C369 I370 A371 H397 I398 L534F320-E367 HydrophobicContact CD1-CB 3.98Å; F320-E367 HydrophobicContact CD1-CG 4.21Å; F320-E367 HydrophobicContact CD2-CB 4.4Å; F320-E367 HydrophobicContact CE1-CB 3.93Å; F320-E367 VanDerWaalsContact CE1-CD 3.42Å; F320-E367 HydrophobicContact CE1-CG 3.65Å; F320-E367 WeakPolarHBondContact CE1-OE1 3.44Å; F320-E367 HydrophobicContact CE2-CB 4.34Å; F320-E367 HydrophobicContact CE2-CG 4.35Å; F320-E367 HydrophobicContact CG-CB 4.22Å; F320-E367 HydrophobicContact CZ-CB 4.1Å; F320-E367 HydrophobicContact CZ-CG 3.72Å; F363-E367 HydrophobicContact CD1-CG 4.42Å; F363-E367 HydrophobicContact CE1-CG 4.19Å; F363-E367 WeakPolarHBondContact CE1-OE1 3.23Å; F363-E367 WeakPolarHBondContact CE1-OE2 3.26Å; F363-E367 WeakPolarHBondContact CZ-OE1 3.38Å; F363-E367 PolarHBondContact O-N 3.02Å; F363-E367 VanDerWaalsContact O-N 3.11Å; Y364-E367 PolarHBondContact O-N 2.84Å; E367-C369 VanDerWaalsContact C-N 3.26Å; E367-C369 PolarHBondContact O-N 3.37Å; E367-I370 PolarHBondContact O-N 2.73Å; E367-I370 VanDerWaalsContact O-N 3.09Å; E367-A371 PolarHBondContact O-N 3.27Å; E367-H397 IonicContact OE1-CE1 3.61Å; E367-H397 IonicContact OE1-CG 3.18Å; E367-H397 IonicContact OE1-ND1 3.67Å; E367-H397 PolarHBondContact OE1-ND1 3.47Å; E367-I398 HydrophobicContact CB-CD1 4.24Å; E367-I398 HydrophobicContact CB-CG1 3.42Å; E367-I398 VanDerWaalsContact CB-CG1 3.42Å; E367-I398 HydrophobicContact CG-CG1 4.46Å; E367-I398 PolarHBondContact OE2-N 2.75Å; E367-L534 HydrophobicContact CG-CD1 3.76Å; E367-L534 HydrophobicContact CG-CD2 3.94Å; E367-L534 HydrophobicContact CG-CG 3.97Å
368I98.7Very high97.2Very high0 Ų026.2 Ų26.20%012%0.123CC..Hα-helixtrans-60.5-37.3173.1-62.2162.5000110.7Y364 I370 A371 L372 L385 V390 I398 L400 L445 L448Y364-I368 WeakPolarHBondContact O-CB 3.38Å; Y364-I368 WeakPolarHBondContact O-CD1 3.39Å; Y364-I368 WeakPolarHBondContact O-CG1 3.34Å; Y364-I368 PolarHBondContact O-N 3.2Å; I368-I370 VanDerWaalsContact C-N 3.35Å; I368-I370 PolarHBondContact O-N 3.31Å; I368-A371 PolarHBondContact O-N 3.49Å; I368-L372 HydrophobicContact CG2-CD1 3.99Å; I368-L372 HydrophobicContact CG2-CG 4.11Å; I368-L372 WeakPolarHBondContact O-CB 3.49Å; I368-L372 WeakPolarHBondContact O-CG 3.24Å; I368-L372 PolarHBondContact O-N 3.43Å; I368-L385 HydrophobicContact CG2-CD1 4.12Å; I368-L385 HydrophobicContact CG2-CD2 3.8Å; I368-V390 HydrophobicContact CD1-CG1 4.15Å; I368-V390 HydrophobicContact CD1-CG2 4.15Å; I368-V390 HydrophobicContact CG1-CG1 4.36Å; I368-I398 HydrophobicContact CG1-CD1 3.81Å; I368-I398 HydrophobicContact CG1-CG1 4.05Å; I368-L400 HydrophobicContact CG1-CD2 4.23Å; I368-L400 HydrophobicContact CG2-CD2 4.4Å; I368-L445 HydrophobicContact CB-CD1 4.21Å; I368-L445 HydrophobicContact CD1-CD1 4.38Å; I368-L445 HydrophobicContact CG2-CD1 3.89Å; I368-L448 HydrophobicContact CD1-CD2 4.23Å
369C98.5Very high97Very high0 Ų024.7 Ų24.70%012%0.118CC..Hα-helixtrans-62-38.7174-75.30000112.8A365 A366 E367 N373 W442 L445 F517 I520 W531A365-C369 WeakPolarHBondContact O-CB 3.42Å; A365-C369 PolarHBondContact O-N 2.62Å; A365-C369 PolarHBondContact O-SG 2.85Å; A366-C369 WeakPolarHBondContact O-CB 3.49Å; A366-C369 PolarHBondContact O-N 2.72Å; E367-C369 VanDerWaalsContact C-N 3.26Å; E367-C369 PolarHBondContact O-N 3.37Å; C369-N373 VanDerWaalsContact O-CB 3.25Å; C369-N373 WeakPolarHBondContact O-CB 3.38Å; C369-N373 PolarHBondContact O-N 2.69Å; C369-W442 HydrophobicContact CB-CZ3 4.24Å; C369-L445 WeakPolarHBondContact SG-CD2 3.1Å; C369-F517 HydrophobicContact CB-CE2 4.11Å; C369-F517 WeakPolarHBondContact O-CE2 3.34Å; C369-I520 HydrophobicContact CB-CG2 4.32Å; C369-W531 HydrophobicContact CB-CH2 4.06Å; C369-W531 HydrophobicContact CB-CZ3 3.97Å
370I97.9Very high96.8Very high4 Ų420.1 Ų20.12%0.0219%0.094CC..Hα-helixtrans-67.4-47.1175.4-65.6163.5000110.1F320 A366 E367 I368 L372 N373 F374 F517 W531 L534 E535F320-I370 HydrophobicContact CD2-CB 4.06Å; F320-I370 HydrophobicContact CD2-CG2 3.87Å; F320-I370 HydrophobicContact CE2-CB 4.21Å; F320-I370 HydrophobicContact CE2-CD1 3.87Å; F320-I370 HydrophobicContact CE2-CG2 4.07Å; A366-I370 WeakPolarHBondContact O-CG1 3.41Å; A366-I370 PolarHBondContact O-N 2.78Å; A366-I370 VanDerWaalsContact O-N 3.08Å; E367-I370 PolarHBondContact O-N 2.73Å; E367-I370 VanDerWaalsContact O-N 3.09Å; I368-I370 VanDerWaalsContact C-N 3.35Å; I368-I370 PolarHBondContact O-N 3.31Å; I370-L372 PolarHBondContact O-N 3.44Å; I370-N373 PolarHBondContact O-N 3.41Å; I370-F374 WeakPolarHBondContact O-CB 3.23Å; I370-F374 PolarHBondContact O-N 3.42Å; I370-F517 HydrophobicContact CG1-CZ 4.47Å; I370-W531 HydrophobicContact CD1-CE3 4.1Å; I370-W531 HydrophobicContact CD1-CZ3 4.49Å; I370-W531 HydrophobicContact CG1-CE3 4Å; I370-W531 HydrophobicContact CG1-CZ3 4.12Å; I370-L534 HydrophobicContact CD1-CB 4.29Å; I370-L534 HydrophobicContact CD1-CD2 3.94Å; I370-L534 HydrophobicContact CD1-CG 4.04Å; I370-E535 HydrophobicContact CD1-CB 4.13Å; I370-E535 HydrophobicContact CG2-CG 4.21Å
371A97.9Very high96.7Very high0 Ų017.7 Ų17.70%08%0.083CC..Hα-helixtrans-59.6-45.8178.800000112.7F320 L321 E367 I368 L375 L400F320-A371 HydrophobicContact CB-CB 3.92Å; L321-A371 HydrophobicContact CD2-CB 3.92Å; L321-A371 HydrophobicContact CG-CB 4.49Å; E367-A371 PolarHBondContact O-N 3.27Å; I368-A371 PolarHBondContact O-N 3.49Å; A371-L375 PolarHBondContact O-N 3.12Å; A371-L400 HydrophobicContact CB-CD1 3.64Å; A371-L400 HydrophobicContact CB-CG 4.04Å
372L97.7Very high96.6Very high0 Ų017.7 Ų17.70%08%0.083CC..Hα-helixtrans-65.9-46.4176-72.7179.7000112.1I368 I370 F374 L375 H376 Y382 L385 L400 D441 W442I368-L372 HydrophobicContact CG2-CD1 3.99Å; I368-L372 HydrophobicContact CG2-CG 4.11Å; I368-L372 WeakPolarHBondContact O-CB 3.49Å; I368-L372 WeakPolarHBondContact O-CG 3.24Å; I368-L372 PolarHBondContact O-N 3.43Å; I370-L372 PolarHBondContact O-N 3.44Å; L372-F374 VanDerWaalsContact C-N 3.29Å; L372-F374 PolarHBondContact O-N 3.43Å; L372-L375 PolarHBondContact O-N 2.71Å; L372-L375 VanDerWaalsContact O-N 3.12Å; L372-H376 PolarHBondContact O-CD2 2.93Å; L372-H376 PolarHBondContact O-N 2.91Å; L372-Y382 HydrophobicContact CD2-CD1 3.93Å; L372-Y382 HydrophobicContact CD2-CG 4.35Å; L372-L385 HydrophobicContact CD1-CD2 4.12Å; L372-L400 HydrophobicContact CD2-CD1 4.29Å; L372-D441 HydrophobicContact CD1-CB 4.03Å; L372-D441 HydrophobicContact CD2-CB 3.9Å; L372-W442 HydrophobicContact CB-CH2 3.89Å; L372-W442 HydrophobicContact CB-CZ2 4.44Å; L372-W442 HydrophobicContact CB-CZ3 4.16Å; L372-W442 HydrophobicContact CD1-CE3 4.08Å; L372-W442 HydrophobicContact CD1-CH2 4.41Å; L372-W442 HydrophobicContact CD1-CZ3 3.87Å
373N95.9Very high96.4Very high22 Ų2218 Ų1812%0.1188%0.084CC..Hα-helixtrans-61.3-39.8-179.8-177.283.1000111.8C369 I370 L375 H376 E377 F517C369-N373 VanDerWaalsContact O-CB 3.25Å; C369-N373 WeakPolarHBondContact O-CB 3.38Å; C369-N373 PolarHBondContact O-N 2.69Å; I370-N373 PolarHBondContact O-N 3.41Å; N373-L375 PolarHBondContact O-N 2.92Å; N373-H376 PolarHBondContact O-N 3.01Å; N373-E377 VanDerWaalsContact ND2-CD 3.26Å; N373-E377 PolarHBondContact ND2-OE1 3.21Å; N373-E377 WeakPolarHBondContact O-CB 3.47Å; N373-E377 WeakPolarHBondContact O-CG 3.31Å; N373-E377 PolarHBondContact O-N 3.44Å; N373-F517 HydrophobicContact CB-CD1 3.98Å; N373-F517 HydrophobicContact CB-CD2 3.82Å; N373-F517 HydrophobicContact CB-CE1 3.78Å; N373-F517 HydrophobicContact CB-CE2 3.63Å; N373-F517 HydrophobicContact CB-CG 4Å; N373-F517 HydrophobicContact CB-CZ 3.6Å; N373-F517 VanDerWaalsContact CG-CE1 3.4Å; N373-F517 WeakPolarHBondContact ND2-CD1 3.28Å; N373-F517 WeakPolarHBondContact ND2-CE1 3.34Å; N373-F517 VanDerWaalsContact OD1-CB 3.31Å; N373-F517 WeakPolarHBondContact OD1-CB 3.4Å; N373-F517 WeakPolarHBondContact OD1-CD1 3.48Å; N373-F517 WeakPolarHBondContact OD1-CG 3.36Å
374F95.9Very high96.2Very high33 Ų3317.8 Ų17.815%0.1458%0.083CC..Hα-helixtrans-57.3-46.7173.3175.5-89.1000111.8Q314 T317 N318 L321 I370 L372 E377 K378Q314-F374 WeakPolarHBondContact O-CZ 3.49Å; T317-F374 VanDerWaalsContact OG1-CZ 3.32Å; T317-F374 WeakPolarHBondContact OG1-CZ 3.4Å; N318-F374 HydrophobicContact CB-CD1 4.03Å; N318-F374 HydrophobicContact CB-CD2 4.3Å; N318-F374 HydrophobicContact CB-CE1 4.12Å; N318-F374 HydrophobicContact CB-CE2 4.37Å; N318-F374 HydrophobicContact CB-CG 4.13Å; N318-F374 HydrophobicContact CB-CZ 4.29Å; N318-F374 WeakPolarHBondContact ND2-CB 3.36Å; N318-F374 WeakPolarHBondContact ND2-CG 3.41Å; L321-F374 HydrophobicContact CD1-CD1 3.72Å; L321-F374 HydrophobicContact CD1-CE1 3.99Å; I370-F374 WeakPolarHBondContact O-CB 3.23Å; I370-F374 PolarHBondContact O-N 3.42Å; L372-F374 VanDerWaalsContact C-N 3.29Å; L372-F374 PolarHBondContact O-N 3.43Å; F374-E377 PolarHBondContact O-N 3.46Å; F374-K378 HydrophobicContact CE1-CG 4.34Å; F374-K378 WeakPolarHBondContact O-CG 3.32Å; F374-K378 PolarHBondContact O-N 3.47Å
375L95.3Very high96.2Very high0 Ų017.6 Ų17.60%08%0.083CC..Hα-helixtrans-63.3-41.2175.3-67.5174000111.8V311 L321 A371 L372 N373 E377 K378 G379 I380 Y382V311-L375 HydrophobicContact CG1-CD2 4.2Å; L321-L375 HydrophobicContact CD1-CD2 3.93Å; L321-L375 HydrophobicContact CD1-CG 4.15Å; L321-L375 HydrophobicContact CD2-CD1 4.3Å; A371-L375 PolarHBondContact O-N 3.12Å; L372-L375 PolarHBondContact O-N 2.71Å; L372-L375 VanDerWaalsContact O-N 3.12Å; N373-L375 PolarHBondContact O-N 2.92Å; L375-E377 PolarHBondContact O-N 2.94Å; L375-K378 CarbonylContact O-C 3.53Å; L375-K378 WeakPolarHBondContact O-CB 3.48Å; L375-K378 PolarHBondContact O-N 3.2Å; L375-K378 VanDerWaalsContact O-N 3.15Å; L375-G379 PolarHBondContact O-N 2.82Å; L375-I380 CarbonylContact C-O 3.55Å; L375-I380 VanDerWaalsContact C-O 3.3Å; L375-I380 HydrophobicContact CB-CB 4.17Å; L375-I380 HydrophobicContact CB-CG2 4.45Å; L375-I380 HydrophobicContact CD2-CB 4.36Å; L375-I380 HydrophobicContact CD2-CD1 4.07Å; L375-I380 HydrophobicContact CD2-CG2 4.24Å; L375-I380 WeakPolarHBondContact O-CA 3.31Å; L375-I380 WeakPolarHBondContact O-CB 3.39Å; L375-I380 PolarHBondContact O-N 3.39Å; L375-Y382 HydrophobicContact CD1-CD2 4.43Å; L375-Y382 HydrophobicContact CD1-CG 4.39Å
376H94.8Very high96Very high18 Ų1818.9 Ų18.98%0.0839%0.088CC..Hα-helixtrans-64.9-40.3179.5-62.3176.2000112.1L372 N373 K378 G379 I380 F438 D441 W442L372-H376 PolarHBondContact O-CD2 2.93Å; L372-H376 PolarHBondContact O-N 2.91Å; N373-H376 PolarHBondContact O-N 3.01Å; H376-K378 PolarHBondContact O-N 2.96Å; H376-G379 PolarHBondContact O-N 2.86Å; H376-I380 PolarHBondContact CD2-O 2.74Å; H376-F438 HydrophobicContact CB-CD1 3.84Å; H376-F438 HydrophobicContact CB-CE1 4.16Å; H376-F438 HydrophobicContact CB-CG 4.06Å; H376-F438 AromaticContact CD2-CD1 3.38Å; H376-F438 WeakPolarHBondContact CD2-CD1 2.98Å; H376-F438 AromaticContact CD2-CG 3.98Å; H376-F438 AromaticContact CG-CD1 3.57Å; H376-F438 AromaticContact CG-CG 3.8Å; H376-F438 AromaticContact NE2-CD1 3.99Å; H376-D441 IonicContact CD2-OD2 2.76Å; H376-D441 IonicContact CE1-OD2 3.94Å; H376-D441 IonicContact NE2-OD2 3.9Å; H376-D441 PolarHBondContact NE2-OD2 3.29Å; H376-W442 AromaticContact CE1-CE2 3.57Å; H376-W442 AromaticContact CE1-CZ2 3.68Å; H376-W442 AromaticContact CE1-NE1 3.52Å; H376-W442 AromaticContact ND1-CE2 3.63Å; H376-W442 AromaticContact ND1-CZ2 3.46Å; H376-W442 WeakPolarHBondContact ND1-CZ2 3.48Å; H376-W442 AromaticContact ND1-NE1 3.5Å
377E93.3Very high95.7Very high145 Ų14519.2 Ų19.268%0.6789%0.09SC*.Hα-helixtrans-65-26.3173.9-75.6178.9-174.400113.2N373 F374 L375 G379N373-E377 VanDerWaalsContact ND2-CD 3.26Å; N373-E377 PolarHBondContact ND2-OE1 3.21Å; N373-E377 WeakPolarHBondContact O-CB 3.47Å; N373-E377 WeakPolarHBondContact O-CG 3.31Å; N373-E377 PolarHBondContact O-N 3.44Å; F374-E377 PolarHBondContact O-N 3.46Å; L375-E377 PolarHBondContact O-N 2.94Å; E377-G379 VanDerWaalsContact C-N 3.33Å
378K93.1Very high95.4Very high103 Ų10322.4 Ų22.445%0.44811%0.107SC..THydrogen-bonded Turntrans-82.4-5.7170.9-63.8-58.1-171.5172.90114.1Q314 F374 L375 H376 I380Q314-K378 VanDerWaalsContact OE1-CB 3.28Å; Q314-K378 VanDerWaalsContact OE1-CD 3.23Å; F374-K378 HydrophobicContact CE1-CG 4.34Å; F374-K378 WeakPolarHBondContact O-CG 3.32Å; F374-K378 PolarHBondContact O-N 3.47Å; L375-K378 CarbonylContact O-C 3.53Å; L375-K378 WeakPolarHBondContact O-CB 3.48Å; L375-K378 PolarHBondContact O-N 3.2Å; L375-K378 VanDerWaalsContact O-N 3.15Å; H376-K378 PolarHBondContact O-N 2.96Å; K378-I380 HydrophobicContact CB-CD1 3.79Å; K378-I380 HydrophobicContact CB-CG1 4.17Å
379G93.4Very high95.2Very high9 Ų922.9 Ų22.99%0.09311%0.109CC..THydrogen-bonded Turntrans78.628.9-175.400000114.2L375 H376 E377 E408 G409 I410L375-G379 PolarHBondContact O-N 2.82Å; H376-G379 PolarHBondContact O-N 2.86Å; E377-G379 VanDerWaalsContact C-N 3.33Å; G379-E408 CarbonylContact O-C 3.58Å; G379-E408 WeakPolarHBondContact O-CA 3.3Å; G379-G409 PolarHBondContact O-N 3.44Å; G379-G409 VanDerWaalsContact O-N 3.14Å; G379-I410 WeakPolarHBondContact CA-O 3.31Å; G379-I410 WeakPolarHBondContact O-CB 3.2Å; G379-I410 PolarHBondContact O-N 3.29Å
380I94.3Very high95.2Very high0 Ų022.9 Ų22.90%011%0.109CC..  trans-112.9121.9-179.5-56.9161.5000109.3V311 L375 H376 K378 C406 K407 E408V311-I380 HydrophobicContact CG1-CD1 4.36Å; V311-I380 HydrophobicContact CG1-CG2 4.28Å; V311-I380 HydrophobicContact CG2-CD1 4.06Å; V311-I380 HydrophobicContact CG2-CG1 4.34Å; V311-I380 HydrophobicContact CG2-CG2 3.88Å; L375-I380 CarbonylContact C-O 3.55Å; L375-I380 VanDerWaalsContact C-O 3.3Å; L375-I380 HydrophobicContact CB-CB 4.17Å; L375-I380 HydrophobicContact CB-CG2 4.45Å; L375-I380 HydrophobicContact CD2-CB 4.36Å; L375-I380 HydrophobicContact CD2-CD1 4.07Å; L375-I380 HydrophobicContact CD2-CG2 4.24Å; L375-I380 WeakPolarHBondContact O-CA 3.31Å; L375-I380 WeakPolarHBondContact O-CB 3.39Å; L375-I380 PolarHBondContact O-N 3.39Å; H376-I380 PolarHBondContact CD2-O 2.74Å; K378-I380 HydrophobicContact CB-CD1 3.79Å; K378-I380 HydrophobicContact CB-CG1 4.17Å; I380-C406 HydrophobicContact CG2-CB 3.93Å; I380-K407 CarbonylContact C-O 3.56Å; I380-K407 WeakPolarHBondContact CA-O 3.48Å; I380-E408 HydrophobicContact CG1-CB 4.11Å
381I95.3Very high95.1Very high0 Ų024.2 Ų24.20%012%0.116CC..BIsolated β-bridgetrans-91.4134166.9-44.9167.4000107.8R383 C406 K407 I410 T416 Y436 F438 V440 D441I381-R383 HydrophobicContact CB-CG 3.94Å; I381-R383 HydrophobicContact CG2-CG 3.47Å; I381-R383 VanDerWaalsContact CG2-CG 3.47Å; I381-C406 CarbonylContact O-C 3.54Å; I381-C406 WeakPolarHBondContact O-CA 3.35Å; I381-K407 PolarHBondContact N-O 2.92Å; I381-K407 PolarHBondContact O-N 2.91Å; I381-I410 HydrophobicContact CD1-CD1 4.47Å; I381-I410 HydrophobicContact CD1-CG1 3.91Å; I381-I410 HydrophobicContact CD1-CG2 4.44Å; I381-I410 HydrophobicContact CG1-CG1 4.07Å; I381-T416 HydrophobicContact CD1-CG2 3.97Å; I381-Y436 HydrophobicContact CD1-CD2 4.49Å; I381-Y436 HydrophobicContact CD1-CE2 4.4Å; I381-F438 HydrophobicContact CB-CD1 4.43Å; I381-F438 HydrophobicContact CG1-CD1 3.68Å; I381-F438 HydrophobicContact CG1-CE1 3.83Å; I381-V440 HydrophobicContact CG2-CG2 3.65Å; I381-D441 WeakPolarHBondContact CG2-OD2 3.36Å
382Y95.9Very high95Very high0 Ų024.2 Ų24.20%012%0.116CC..  trans-84.7-39.7-173.5177.2-131.2000113.8L372 L375 D384 L385 N389 L400 T401 Y403 M405 D441L372-Y382 HydrophobicContact CD2-CD1 3.93Å; L372-Y382 HydrophobicContact CD2-CG 4.35Å; L375-Y382 HydrophobicContact CD1-CD2 4.43Å; L375-Y382 HydrophobicContact CD1-CG 4.39Å; Y382-D384 PolarHBondContact O-N 3.1Å; Y382-L385 HydrophobicContact CD1-CB 3.87Å; Y382-L385 HydrophobicContact CE1-CB 3.77Å; Y382-L385 HydrophobicContact CE1-CD1 4.06Å; Y382-N389 WeakPolarHBondContact OH-CB 3.05Å; Y382-L400 HydrophobicContact CD1-CD1 4.35Å; Y382-L400 HydrophobicContact CE1-CD1 4.11Å; Y382-T401 WeakPolarHBondContact CE2-O 3.26Å; Y382-T401 PolarHBondContact OH-O 3.05Å; Y382-Y403 HydrophobicContact CD2-CD1 4.16Å; Y382-Y403 AromaticContact CE2-CD1 3.82Å; Y382-Y403 HydrophobicContact CE2-CD1 3.82Å; Y382-Y403 HydrophobicContact CE2-CE1 4.14Å; Y382-M405 CarbonylContact O-C 3.45Å; Y382-D441 PolarHBondContact N-OD1 2.92Å; Y382-D441 PolarHBondContact N-OD2 2.9Å
383R94.6Very high94.9Very high28 Ų2825 Ų2511%0.10612%0.121CC..  trans63-6.8169-50.2-169.4-62.4-179.9-1.1119I381 M405 C406 T418 C420 G421 Y436 V440 D441I381-R383 HydrophobicContact CB-CG 3.94Å; I381-R383 HydrophobicContact CG2-CG 3.47Å; I381-R383 VanDerWaalsContact CG2-CG 3.47Å; R383-M405 VanDerWaalsContact CZ-O 3.26Å; R383-M405 PolarHBondContact NE-O 2.68Å; R383-M405 PolarHBondContact NH2-O 3.02Å; R383-C406 PolarHBondContact NH2-O 2.96Å; R383-T418 PolarHBondContact NH1-OG1 2.71Å; R383-C420 VanDerWaalsContact CZ-SG 3.53Å; R383-G421 WeakPolarHBondContact O-CA 3.4Å; R383-Y436 WeakPolarHBondContact CD-OH 3.44Å; R383-Y436 PolarHBondContact NH1-OH 3.04Å; R383-Y436 VanDerWaalsContact NH1-OH 3.09Å; R383-V440 HydrophobicContact CG-CG2 4.3Å; R383-D441 WeakPolarHBondContact CA-OD1 3.47Å; R383-D441 PolarHBondContact N-OD1 3.03Å
384D94Very high94.7Very high7 Ų728.8 Ų28.84%0.03714%0.137CC..  trans-136.545.9174.7-158.345.7000113.7Y382 K386 N389 M405 T422Y382-D384 PolarHBondContact O-N 3.1Å; D384-K386 PolarHBondContact O-N 3.05Å; D384-K386 IonicContact OD2-NZ 3.44Å; D384-K386 PolarHBondContact OD2-NZ 3.32Å; D384-N389 PolarHBondContact O-ND2 2.91Å; D384-N389 PolarHBondContact OD2-ND2 2.88Å; D384-M405 HydrophobicContact CB-CB 3.59Å; D384-M405 HydrophobicContact CB-CG 3.74Å; D384-T422 VanDerWaalsContact OD1-CB 3.23Å; D384-T422 WeakPolarHBondContact OD1-CB 3.2Å; D384-T422 PolarHBondContact OD1-N 3.38Å; D384-T422 PolarHBondContact OD1-OG1 2.87Å
385L97.5Very high94.6Very high1 Ų131.6 Ų31.61%0.00515%0.151CC..  trans-69.6114.3168.4-179.462.4000110.4I368 L372 Y382 V390 L400 Y425 A444 L445 L448I368-L385 HydrophobicContact CG2-CD1 4.12Å; I368-L385 HydrophobicContact CG2-CD2 3.8Å; L372-L385 HydrophobicContact CD1-CD2 4.12Å; Y382-L385 HydrophobicContact CD1-CB 3.87Å; Y382-L385 HydrophobicContact CE1-CB 3.77Å; Y382-L385 HydrophobicContact CE1-CD1 4.06Å; L385-V390 HydrophobicContact CD1-CG2 3.7Å; L385-L400 HydrophobicContact CD1-CD2 3.84Å; L385-Y425 VanDerWaalsContact O-CD1 3.29Å; L385-Y425 WeakPolarHBondContact O-CD1 3.46Å; L385-A444 HydrophobicContact CB-CB 3.95Å; L385-A444 HydrophobicContact CD2-CB 4.46Å; L385-L445 HydrophobicContact CD2-CB 3.89Å; L385-L445 HydrophobicContact CD2-CD1 4.42Å; L385-L448 HydrophobicContact CD1-CD1 3.73Å; L385-L448 HydrophobicContact CD2-CD1 4.42Å; L385-L448 HydrophobicContact CG-CD1 3.79Å
386K94.6Very high94.6Very high27 Ų2731.6 Ų31.612%0.11715%0.151CC..  trans-146.8161.8177.362.8-176.2-171.5-80.20110D384 D388 N389 T422 Y425D384-K386 PolarHBondContact O-N 3.05Å; D384-K386 IonicContact OD2-NZ 3.44Å; D384-K386 PolarHBondContact OD2-NZ 3.32Å; K386-D388 HydrophobicContact CD-CB 4.43Å; K386-D388 HydrophobicContact CG-CB 4.31Å; K386-D388 PolarHBondContact O-N 2.78Å; K386-N389 WeakPolarHBondContact CE-OD1 3.42Å; K386-N389 HydrophobicContact CG-CB 3.88Å; K386-N389 PolarHBondContact NZ-ND2 3.24Å; K386-N389 PolarHBondContact NZ-OD1 2.83Å; K386-N389 PolarHBondContact O-N 2.78Å; K386-T422 HydrophobicContact CD-CG2 4.14Å; K386-T422 WeakPolarHBondContact CD-OG1 3.26Å; K386-Y425 HydrophobicContact CB-CD2 3.74Å; K386-Y425 HydrophobicContact CB-CE1 4.4Å; K386-Y425 HydrophobicContact CB-CE2 3.33Å; K386-Y425 HydrophobicContact CB-CG 4.41Å
387L93.5Very high94.8Very high7 Ų731 Ų314%0.03715%0.148CC..G310 helixtrans-54.4-38-178.6-72.4169.8000113.1L346 M347 M350 N389 V390 Y425 L448 E451 M452L346-L387 HydrophobicContact CB-CD2 3.94Å; L346-L387 PolarHBondContact N-O 2.84Å; M347-L387 HydrophobicContact CB-CB 3.87Å; M347-L387 HydrophobicContact CE-CB 4.13Å; M347-L387 HydrophobicContact CE-CD1 4.25Å; M347-L387 PolarHBondContact N-O 2.76Å; M347-L387 HydrophobicContact SD-CD1 4.32Å; M350-L387 HydrophobicContact CB-CD1 4.49Å; M350-L387 HydrophobicContact CG-CD1 4.24Å; M350-L387 HydrophobicContact CG-CD2 4.1Å; L387-N389 VanDerWaalsContact C-N 3.27Å; L387-N389 PolarHBondContact O-N 3.17Å; L387-V390 PolarHBondContact O-N 2.88Å; L387-Y425 PolarHBondContact N-OH 3.38Å; L387-L448 HydrophobicContact CD2-CD2 3.91Å; L387-L448 HydrophobicContact CD2-CG 3.85Å; L387-L448 HydrophobicContact CG-CG 4.27Å; L387-E451 HydrophobicContact CD1-CB 4.19Å; L387-M452 HydrophobicContact CD2-CG 4.35Å
388D91.5Very high95Very high66 Ų6624.1 Ų24.135%0.35312%0.116SC..G310 helixtrans-69.1-23.2-179.1-32.8-108.3000113M347 K386M347-D388 HydrophobicContact CB-CB 4.43Å; M347-D388 WeakPolarHBondContact CE-OD1 3.5Å; M347-D388 WeakPolarHBondContact CG-OD1 3.05Å; K386-D388 HydrophobicContact CD-CB 4.43Å; K386-D388 HydrophobicContact CG-CB 4.31Å; K386-D388 PolarHBondContact O-N 2.78Å
389N95.3Very high95.2Very high11 Ų1119.9 Ų19.96%0.05910%0.098CC..G310 helixtrans-94.50.7-179.4-81.610.9000113.3Y382 D384 K386 L387 L400 T401Y382-N389 WeakPolarHBondContact OH-CB 3.05Å; D384-N389 PolarHBondContact O-ND2 2.91Å; D384-N389 PolarHBondContact OD2-ND2 2.88Å; K386-N389 WeakPolarHBondContact CE-OD1 3.42Å; K386-N389 HydrophobicContact CG-CB 3.88Å; K386-N389 PolarHBondContact NZ-ND2 3.24Å; K386-N389 PolarHBondContact NZ-OD1 2.83Å; K386-N389 PolarHBondContact O-N 2.78Å; L387-N389 VanDerWaalsContact C-N 3.27Å; L387-N389 PolarHBondContact O-N 3.17Å; N389-L400 WeakPolarHBondContact O-CA 3.28Å; N389-T401 PolarHBondContact O-N 3.15Å; N389-T401 VanDerWaalsContact O-N 3.07Å
390V97.6Very high95.4Very high0 Ų019.5 Ų19.50%09%0.093CC..EExtended strand (participates in β ladder)trans-106.397.1174.4-170.80000108.5D345 L346 I368 L385 L387 I398 L400 L448D345-V390 WeakPolarHBondContact CA-O 3.44Å; L346-V390 HydrophobicContact CB-CB 4.29Å; L346-V390 HydrophobicContact CD1-CB 3.8Å; L346-V390 HydrophobicContact CD1-CG1 3.54Å; L346-V390 HydrophobicContact CD1-CG2 4.44Å; L346-V390 HydrophobicContact CG-CB 3.98Å; L346-V390 HydrophobicContact CG-CG1 3.88Å; L346-V390 PolarHBondContact N-O 3.33Å; I368-V390 HydrophobicContact CD1-CG1 4.15Å; I368-V390 HydrophobicContact CD1-CG2 4.15Å; I368-V390 HydrophobicContact CG1-CG1 4.36Å; L385-V390 HydrophobicContact CD1-CG2 3.7Å; L387-V390 PolarHBondContact O-N 2.88Å; V390-I398 HydrophobicContact CG1-CB 3.63Å; V390-I398 HydrophobicContact CG1-CD1 4.48Å; V390-I398 HydrophobicContact CG1-CG1 4.47Å; V390-I398 HydrophobicContact CG1-CG2 3.65Å; V390-L400 HydrophobicContact CB-CD2 4.46Å; V390-L400 HydrophobicContact CG1-CD2 4.35Å; V390-L400 HydrophobicContact CG2-CD2 3.77Å; V390-L448 HydrophobicContact CG2-CD1 3.82Å
391L96.6Very high95.3Very high32 Ų3220.5 Ų20.517%0.16810%0.099CC..EExtended strand (participates in β ladder)trans-79.4154.5177.3-49.9-175.2000110.1V322 V341 G344 D345 I398 K399 T401V322-L391 HydrophobicContact CG2-CD1 4.32Å; V341-L391 HydrophobicContact CB-CB 4.19Å; V341-L391 HydrophobicContact CB-CD1 3.88Å; V341-L391 HydrophobicContact CG1-CB 3.62Å; V341-L391 HydrophobicContact CG1-CD1 4.27Å; V341-L391 HydrophobicContact CG2-CD1 4.32Å; G344-L391 CarbonylContact O-C 3.32Å; G344-L391 WeakPolarHBondContact O-CA 3.2Å; D345-L391 HydrophobicContact CB-CD2 3.87Å; L391-I398 CarbonylContact O-C 3.38Å; L391-I398 VanDerWaalsContact O-CA 3.24Å; L391-I398 WeakPolarHBondContact O-CA 3.39Å; L391-K399 PolarHBondContact N-O 3.48Å; L391-K399 PolarHBondContact O-N 2.96Å; L391-T401 HydrophobicContact CD1-CG2 3.94Å; L391-T401 HydrophobicContact CD2-CG2 4.11Å; L391-T401 HydrophobicContact CG-CG2 3.87Å
392L95.8Very high94.9Very high0 Ų022.7 Ų22.70%011%0.111CC..EExtended strand (participates in β ladder)trans-107.3134.6165.5-64.4-164.8000110.7V341 G343 G344 L346 H349 Y364 H397 I398 F543 P545V341-L392 WeakPolarHBondContact CG1-O 3.44Å; G343-L392 WeakPolarHBondContact CA-O 3.11Å; G343-L392 PolarHBondContact N-O 3.1Å; G344-L392 PolarHBondContact O-N 2.92Å; L346-L392 HydrophobicContact CD2-CD1 4.29Å; L346-L392 HydrophobicContact CD2-CD2 3.97Å; L346-L392 HydrophobicContact CD2-CG 4.16Å; H349-L392 VanDerWaalsContact CD2-CD1 3.47Å; H349-L392 WeakPolarHBondContact CD2-CD1 3.33Å; H349-L392 WeakPolarHBondContact NE2-CD1 3.4Å; Y364-L392 HydrophobicContact CD1-CD2 4.46Å; Y364-L392 HydrophobicContact CE1-CD2 4.09Å; L392-H397 WeakPolarHBondContact CA-O 3.47Å; L392-I398 HydrophobicContact CD2-CB 4.43Å; L392-I398 HydrophobicContact CD2-CG2 3.77Å; L392-F543 HydrophobicContact CD1-CD1 3.92Å; L392-F543 HydrophobicContact CD1-CE1 4.19Å; L392-P545 HydrophobicContact CB-CG 4.11Å; L392-P545 HydrophobicContact CD1-CG 4.38Å
393D94.2Very high94.5Very high16 Ų1622.7 Ų22.79%0.08611%0.111CC..  trans-76172.7169.970.724.7000112.7V341 E395 G396 H397 K537 P545V341-D393 HydrophobicContact CG1-CB 4.31Å; D393-E395 PolarHBondContact O-N 3.4Å; D393-E395 WeakPolarHBondContact OD1-CA 3.4Å; D393-E395 PolarHBondContact OD1-N 3.31Å; D393-G396 PolarHBondContact O-N 2.93Å; D393-G396 PolarHBondContact OD1-N 2.58Å; D393-H397 PolarHBondContact N-O 3.03Å; D393-H397 IonicContact OD1-CD2 3.08Å; D393-H397 PolarHBondContact OD1-N 2.92Å; D393-K537 IonicContact OD2-NZ 3.27Å; D393-K537 PolarHBondContact OD2-NZ 2.81Å; D393-P545 WeakPolarHBondContact O-CG 3.14Å
394H91.9Very high93.9Very high101 Ų10121.5 Ų21.547%0.46811%0.108SC..THydrogen-bonded Turntrans-60.2-12.8-178.377.6-69.6000114.6K544 I547H394-K544 WeakPolarHBondContact O-CE 3.44Å; H394-I547 HydrophobicContact CB-CD1 3.61Å
395E94.4Very high93.3Very high92 Ų9224 Ų2443%0.4312%0.12SC..THydrogen-bonded Turntrans-99.3-25.6176-55.9-133.678.700112.5D393 K544D393-E395 PolarHBondContact O-N 3.4Å; D393-E395 WeakPolarHBondContact OD1-CA 3.4Å; D393-E395 PolarHBondContact OD1-N 3.31Å; E395-K544 WeakPolarHBondContact O-CG 3.02Å; E395-K544 IonicContact OE1-NZ 3.58Å; E395-K544 PolarHBondContact OE1-NZ 3.34Å
396G95.5Very high92.9Very high0 Ų024.2 Ų24.20%012%0.121CC..SBendtrans115.29176.100000114.7Y364 D393 A541 F543Y364-G396 WeakPolarHBondContact CE1-O 3.12Å; D393-G396 PolarHBondContact O-N 2.93Å; D393-G396 PolarHBondContact OD1-N 2.58Å; G396-A541 VanDerWaalsContact C-CB 3.49Å; G396-A541 WeakPolarHBondContact O-CB 3.44Å; G396-F543 WeakPolarHBondContact CA-O 3.33Å
397H98Very high92.5Very high7 Ų726.2 Ų26.23%0.03213%0.13CC..  trans-83.1151.2174.9-60.6-88.9000111F320 F363 E367 L392 D393 K537 M539F320-H397 HydrophobicContact CE1-CB 4.23Å; F363-H397 AromaticContact CZ-CE1 3.95Å; F363-H397 AromaticContact CZ-ND1 3.79Å; E367-H397 IonicContact OE1-CE1 3.61Å; E367-H397 IonicContact OE1-CG 3.18Å; E367-H397 IonicContact OE1-ND1 3.67Å; E367-H397 PolarHBondContact OE1-ND1 3.47Å; L392-H397 WeakPolarHBondContact CA-O 3.47Å; D393-H397 PolarHBondContact N-O 3.03Å; D393-H397 IonicContact OD1-CD2 3.08Å; D393-H397 PolarHBondContact OD1-N 2.92Å; H397-K537 HydrophobicContact CB-CD 4.12Å; H397-K537 VanDerWaalsContact CB-CE 3.47Å; H397-M539 PolarHBondContact CE1-O 2.87Å; H397-M539 VanDerWaalsContact CE1-O 3.23Å
398I98Very high92.2Very high0 Ų028.5 Ų28.50%014%0.14CC..EExtended strand (participates in β ladder)trans-74.1151.9179.572.596.8000113.1F320 Y364 E367 I368 V390 L391 L392 L400F320-I398 WeakPolarHBondContact CA-O 3.47Å; F320-I398 HydrophobicContact CB-CD1 3.92Å; F320-I398 HydrophobicContact CD1-CG1 4.38Å; F320-I398 WeakPolarHBondContact CD1-O 3.47Å; Y364-I398 HydrophobicContact CD1-CG2 3.66Å; Y364-I398 HydrophobicContact CE1-CG2 4.49Å; Y364-I398 HydrophobicContact CG-CG2 4.01Å; E367-I398 HydrophobicContact CB-CD1 4.24Å; E367-I398 HydrophobicContact CB-CG1 3.42Å; E367-I398 VanDerWaalsContact CB-CG1 3.42Å; E367-I398 HydrophobicContact CG-CG1 4.46Å; E367-I398 PolarHBondContact OE2-N 2.75Å; I368-I398 HydrophobicContact CG1-CD1 3.81Å; I368-I398 HydrophobicContact CG1-CG1 4.05Å; V390-I398 HydrophobicContact CG1-CB 3.63Å; V390-I398 HydrophobicContact CG1-CD1 4.48Å; V390-I398 HydrophobicContact CG1-CG1 4.47Å; V390-I398 HydrophobicContact CG1-CG2 3.65Å; L391-I398 CarbonylContact O-C 3.38Å; L391-I398 VanDerWaalsContact O-CA 3.24Å; L391-I398 WeakPolarHBondContact O-CA 3.39Å; L392-I398 HydrophobicContact CD2-CB 4.43Å; L392-I398 HydrophobicContact CD2-CG2 3.77Å; I398-L400 HydrophobicContact CD1-CD2 4.08Å; I398-L400 HydrophobicContact CD1-CG 4.11Å
399K97.5Very high91.9Very high14 Ų1428 Ų286%0.06115%0.151CC..EExtended strand (participates in β ladder)trans-134.7122.6160.3-81176.8170.5-94.60110.6P319 F320 L321 V322 E339 V341 L391P319-K399 WeakPolarHBondContact O-CE 3.18Å; F320-K399 WeakPolarHBondContact O-CA 3.17Å; L321-K399 PolarHBondContact O-NZ 3.01Å; V322-K399 HydrophobicContact CG2-CB 3.92Å; E339-K399 WeakPolarHBondContact OE1-CE 3.23Å; E339-K399 IonicContact OE1-NZ 3.88Å; E339-K399 PolarHBondContact OE1-NZ 3.41Å; E339-K399 IonicContact OE2-NZ 2.74Å; E339-K399 PolarHBondContact OE2-NZ 3.11Å; V341-K399 HydrophobicContact CG1-CD 4.47Å; V341-K399 HydrophobicContact CG2-CB 4.44Å; V341-K399 HydrophobicContact CG2-CD 3.69Å; L391-K399 PolarHBondContact N-O 3.48Å; L391-K399 PolarHBondContact O-N 2.96Å
400L97.1Very high91.6Very high0 Ų028 Ų280%015%0.151CC..EExtended strand (participates in β ladder)trans-76136.5173.3-56.8-175.3000110.5F320 L321 V322 I368 A371 L372 Y382 L385 N389 V390 I398 Y403F320-L400 PolarHBondContact O-N 3.38Å; L321-L400 HydrophobicContact CD2-CB 3.86Å; L321-L400 HydrophobicContact CD2-CD1 4.16Å; L321-L400 HydrophobicContact CD2-CG 4.27Å; V322-L400 WeakPolarHBondContact CG2-O 3.42Å; V322-L400 PolarHBondContact N-O 2.7Å; I368-L400 HydrophobicContact CG1-CD2 4.23Å; I368-L400 HydrophobicContact CG2-CD2 4.4Å; A371-L400 HydrophobicContact CB-CD1 3.64Å; A371-L400 HydrophobicContact CB-CG 4.04Å; L372-L400 HydrophobicContact CD2-CD1 4.29Å; Y382-L400 HydrophobicContact CD1-CD1 4.35Å; Y382-L400 HydrophobicContact CE1-CD1 4.11Å; L385-L400 HydrophobicContact CD1-CD2 3.84Å; N389-L400 WeakPolarHBondContact O-CA 3.28Å; V390-L400 HydrophobicContact CB-CD2 4.46Å; V390-L400 HydrophobicContact CG1-CD2 4.35Å; V390-L400 HydrophobicContact CG2-CD2 3.77Å; I398-L400 HydrophobicContact CD1-CD2 4.08Å; I398-L400 HydrophobicContact CD1-CG 4.11Å; L400-Y403 PolarHBondContact O-OH 3.37Å
401T92.8Very high91.1Very high21 Ų2136.9 Ų36.913%0.12918%0.184CC..  trans-126.4-176.2-178.7-164.20000113Y382 N389 L391Y382-T401 WeakPolarHBondContact CE2-O 3.26Å; Y382-T401 PolarHBondContact OH-O 3.05Å; N389-T401 PolarHBondContact O-N 3.15Å; N389-T401 VanDerWaalsContact O-N 3.07Å; L391-T401 HydrophobicContact CD1-CG2 3.94Å; L391-T401 HydrophobicContact CD2-CG2 4.11Å; L391-T401 HydrophobicContact CG-CG2 3.87Å
402D87.4Confident90.4Very high46 Ų4641.7 Ų41.725%0.24622%0.217CC..  trans5471.6175.1-161.528.3000114.6K289 G404K289-D402 WeakPolarHBondContact CE-OD1 3.49Å; K289-D402 IonicContact NZ-OD1 2.7Å; K289-D402 PolarHBondContact NZ-OD1 2.94Å; D402-G404 VanDerWaalsContact C-N 3.29Å; D402-G404 PolarHBondContact O-N 3.45Å
403Y87.6Confident89.7Confident0 Ų045.3 Ų45.30%026%0.255CS..G310 helixtrans-77.9-3.9-174.8-57.4-43.8000115.2E308 V311 F312 A315 L321 V322 Y382 L400 M405 C406E308-Y403 PolarHBondContact OE1-N 3.23Å; E308-Y403 VanDerWaalsContact OE1-N 3.17Å; V311-Y403 HydrophobicContact CB-CG 4.43Å; V311-Y403 HydrophobicContact CG1-CD1 4.1Å; V311-Y403 HydrophobicContact CG1-CD2 3.94Å; V311-Y403 HydrophobicContact CG1-CG 3.66Å; F312-Y403 HydrophobicContact CB-CD2 4.43Å; F312-Y403 AromaticContact CD1-CD2 3.52Å; F312-Y403 HydrophobicContact CD1-CD2 3.52Å; F312-Y403 AromaticContact CD1-CE2 3.45Å; F312-Y403 HydrophobicContact CD1-CE2 3.45Å; F312-Y403 VanDerWaalsContact CD1-CE2 3.45Å; F312-Y403 AromaticContact CD2-CD2 3.9Å; F312-Y403 HydrophobicContact CD2-CD2 3.9Å; F312-Y403 AromaticContact CE1-CD2 3.54Å; F312-Y403 HydrophobicContact CE1-CD2 3.54Å; F312-Y403 AromaticContact CE1-CE2 3.4Å; F312-Y403 HydrophobicContact CE1-CE2 3.4Å; F312-Y403 VanDerWaalsContact CE1-CE2 3.4Å; F312-Y403 AromaticContact CE2-CD2 3.92Å; F312-Y403 HydrophobicContact CE2-CD2 3.92Å; F312-Y403 AromaticContact CG-CD2 3.69Å; F312-Y403 HydrophobicContact CG-CD2 3.69Å; F312-Y403 HydrophobicContact CG-CE2 4.08Å; F312-Y403 AromaticContact CZ-CD2 3.72Å; F312-Y403 HydrophobicContact CZ-CD2 3.72Å; F312-Y403 HydrophobicContact CZ-CE2 4.01Å; A315-Y403 HydrophobicContact CB-CE2 3.76Å; L321-Y403 WeakPolarHBondContact CB-OH 3.48Å; L321-Y403 HydrophobicContact CD2-CE1 4.37Å; V322-Y403 PolarHBondContact N-OH 3.16Å; Y382-Y403 HydrophobicContact CD2-CD1 4.16Å; Y382-Y403 AromaticContact CE2-CD1 3.82Å; Y382-Y403 HydrophobicContact CE2-CD1 3.82Å; Y382-Y403 HydrophobicContact CE2-CE1 4.14Å; L400-Y403 PolarHBondContact O-OH 3.37Å; Y403-M405 PolarHBondContact O-N 2.87Å; Y403-C406 WeakPolarHBondContact O-CB 3.48Å; Y403-C406 PolarHBondContact O-N 3.18Å; Y403-C406 PolarHBondContact O-SG 3.39Å
404G80.7Confident89.4Confident3 Ų348.2 Ų48.23%0.03127%0.271CS..G310 helixtrans-51.7-32178.900000114.9W304 E308 D402 C406W304-G404 PolarHBondContact NE1-O 3.43Å; E308-G404 PolarHBondContact OE1-N 3.08Å; D402-G404 VanDerWaalsContact C-N 3.29Å; D402-G404 PolarHBondContact O-N 3.45Å; G404-C406 VanDerWaalsContact C-N 3.26Å; G404-C406 PolarHBondContact O-N 3.31Å
405M82.3Confident89.3Confident61 Ų6147.2 Ų47.230%0.327%0.272SS..G310 helixtrans-78.3-3.1177.6-71.2-68.6166.600114.5Y382 R383 D384 Y403 C420Y382-M405 CarbonylContact O-C 3.45Å; R383-M405 VanDerWaalsContact CZ-O 3.26Å; R383-M405 PolarHBondContact NE-O 2.68Å; R383-M405 PolarHBondContact NH2-O 3.02Å; D384-M405 HydrophobicContact CB-CB 3.59Å; D384-M405 HydrophobicContact CB-CG 3.74Å; Y403-M405 PolarHBondContact O-N 2.87Å; M405-C420 HydrophobicContact SD-CB 4.2Å
406C88.5Confident88.7Confident4 Ų443.9 Ų43.93%0.02726%0.258CS..  trans-61.5162.8-176.3-69.20000113.8T307 V311 I380 I381 R383 Y403 G404T307-C406 HydrophobicContact CG2-CB 4.4Å; V311-C406 HydrophobicContact CG2-CB 3.92Å; I380-C406 HydrophobicContact CG2-CB 3.93Å; I381-C406 CarbonylContact O-C 3.54Å; I381-C406 WeakPolarHBondContact O-CA 3.35Å; R383-C406 PolarHBondContact NH2-O 2.96Å; Y403-C406 WeakPolarHBondContact O-CB 3.48Å; Y403-C406 PolarHBondContact O-N 3.18Å; Y403-C406 PolarHBondContact O-SG 3.39Å; G404-C406 VanDerWaalsContact C-N 3.26Å; G404-C406 PolarHBondContact O-N 3.31Å
407K86.2Confident88Confident69 Ų6947.5 Ų47.530%0.328%0.283SS..BIsolated β-bridgetrans-134.3112.4159.4-17658.2-174167.10111.2I380 I381 I410 T416I380-K407 CarbonylContact C-O 3.56Å; I380-K407 WeakPolarHBondContact CA-O 3.48Å; I381-K407 PolarHBondContact N-O 2.92Å; I381-K407 PolarHBondContact O-N 2.91Å; K407-I410 HydrophobicContact CG-CD1 4.05Å; K407-I410 HydrophobicContact CG-CG1 4.25Å; K407-T416 HydrophobicContact CG-CG2 4.37Å
408E87.6Confident87.1Confident55 Ų5550.5 Ų50.526%0.25730%0.302SS..  trans-83.2174.8173.363.8175.7-131.100113.7T307 H310 G379 I380 I410T307-E408 HydrophobicContact CG2-CG 3.99Å; H310-E408 IonicContact CD2-OE2 3.89Å; H310-E408 PolarHBondContact CD2-OE2 3.03Å; H310-E408 IonicContact CG-OE2 3.87Å; G379-E408 CarbonylContact O-C 3.58Å; G379-E408 WeakPolarHBondContact O-CA 3.3Å; I380-E408 HydrophobicContact CG1-CB 4.11Å; E408-I410 VanDerWaalsContact C-N 3.3Å; E408-I410 PolarHBondContact O-N 3.19Å
409G85.2Confident86.2Confident56 Ų5654.9 Ų54.958%0.57732%0.321SS*.  trans79.94.5174.300000115G379 R411G379-G409 PolarHBondContact O-N 3.44Å; G379-G409 VanDerWaalsContact O-N 3.14Å; G409-R411 PolarHBondContact O-N 3.08Å
410I88.9Confident85.3Confident12 Ų1255.1 Ų55.16%0.06233%0.325CS..  trans-80.5107.1-175.6-55-59.3000109.9G379 I381 K407 E408 D414 F438G379-I410 WeakPolarHBondContact CA-O 3.31Å; G379-I410 WeakPolarHBondContact O-CB 3.2Å; G379-I410 PolarHBondContact O-N 3.29Å; I381-I410 HydrophobicContact CD1-CD1 4.47Å; I381-I410 HydrophobicContact CD1-CG1 3.91Å; I381-I410 HydrophobicContact CD1-CG2 4.44Å; I381-I410 HydrophobicContact CG1-CG1 4.07Å; K407-I410 HydrophobicContact CG-CD1 4.05Å; K407-I410 HydrophobicContact CG-CG1 4.25Å; E408-I410 VanDerWaalsContact C-N 3.3Å; E408-I410 PolarHBondContact O-N 3.19Å; I410-D414 HydrophobicContact CG2-CB 4.08Å; I410-F438 HydrophobicContact CB-CE1 4.31Å; I410-F438 HydrophobicContact CB-CZ 4.05Å; I410-F438 HydrophobicContact CG2-CE1 4.18Å; I410-F438 HydrophobicContact CG2-CE2 4.2Å; I410-F438 HydrophobicContact CG2-CZ 3.71Å
411R87.3Confident84.4Confident185 Ų18556.1 Ų56.170%0.69833%0.334SS*.  trans-82.1165.1176.5-50.8173.9177.6-158.4-4.4110.6G409 G413 D414G409-R411 PolarHBondContact O-N 3.08Å; R411-G413 PolarHBondContact O-N 3.32Å; R411-D414 WeakPolarHBondContact CB-OD2 3.35Å; R411-D414 VanDerWaalsContact CG-OD2 3.26Å; R411-D414 WeakPolarHBondContact CG-OD2 3.33Å; R411-D414 PolarHBondContact N-OD2 3.46Å; R411-D414 WeakPolarHBondContact O-CB 3.42Å; R411-D414 PolarHBondContact O-N 3.4Å
412P82.3Confident84Confident133 Ų13357 Ų5786%0.86434%0.34SS*.THydrogen-bonded Turntrans-56.8107.7175.5-27.236.6000112.5
413G79.4Confident84Confident77 Ų7756.7 Ų56.779%0.79434%0.34SS*.THydrogen-bonded Turntrans104.2-11.2-176.900000115.2R411R411-G413 PolarHBondContact O-N 3.32Å
414D88.1Confident84Confident76 Ų7659.2 Ų59.241%0.40635%0.354SS..  trans-72.7159.4170.6-68.9-21.7000111.1I410 R411I410-D414 HydrophobicContact CG2-CB 4.08Å; R411-D414 WeakPolarHBondContact CB-OD2 3.35Å; R411-D414 VanDerWaalsContact CG-OD2 3.26Å; R411-D414 WeakPolarHBondContact CG-OD2 3.33Å; R411-D414 PolarHBondContact N-OD2 3.46Å; R411-D414 WeakPolarHBondContact O-CB 3.42Å; R411-D414 PolarHBondContact O-N 3.4Å
415T89.9Confident84.7Confident81 Ų8159.8 Ų59.850%0.49736%0.355SS..  trans-144.5162-179.647.10000111.4Y436T415-Y436 CarbonylContact C-O 3.3Å; T415-Y436 WeakPolarHBondContact CA-O 3.4Å; T415-Y436 VanDerWaalsContact CB-O 3.31Å; T415-Y436 WeakPolarHBondContact CB-O 3.44Å
416T82.9Confident85.2Confident21 Ų2157.1 Ų57.113%0.12934%0.342CS..BIsolated β-bridgetrans-131.6167.3173.8-166.20000110.8I381 K407 D435 Y436I381-T416 HydrophobicContact CD1-CG2 3.97Å; K407-T416 HydrophobicContact CG-CG2 4.37Å; T416-D435 CarbonylContact O-C 3.48Å; T416-D435 WeakPolarHBondContact O-CA 3.47Å; T416-Y436 HydrophobicContact CG2-CD2 4.06Å; T416-Y436 HydrophobicContact CG2-CE1 4.2Å; T416-Y436 HydrophobicContact CG2-CE2 3.48Å; T416-Y436 VanDerWaalsContact CG2-CE2 3.48Å; T416-Y436 PolarHBondContact N-O 2.86Å; T416-Y436 WeakPolarHBondContact O-CD1 3.46Å; T416-Y436 PolarHBondContact O-N 3.4Å
417S81.2Confident85.5Confident77 Ų7757 Ų5754%0.53834%0.341SS..  trans-139.917-174.449.60000114.5F419 D435S417-F419 PolarHBondContact O-N 3.35Å; S417-D435 WeakPolarHBondContact CB-OD1 3.49Å
418T77.6Confident85.9Confident69 Ų6953.8 Ų53.842%0.42333%0.327SS..  trans-61.6128.2170.8-41.50000110.4R383 C420 Y436R383-T418 PolarHBondContact NH1-OG1 2.71Å; T418-C420 HydrophobicContact CG2-CB 4.37Å; T418-C420 PolarHBondContact O-N 3.41Å; T418-Y436 VanDerWaalsContact O-CE1 3.3Å; T418-Y436 WeakPolarHBondContact O-CE1 3.37Å; T418-Y436 PolarHBondContact O-OH 2.89Å
419F78.9Confident86.2Confident93 Ų9351.2 Ų51.241%0.40832%0.316SS..  trans-84.7106.1172-172.1-81.6000109.7S417 I426 I430 L431 F475S417-F419 PolarHBondContact O-N 3.35Å; F419-I426 HydrophobicContact CE1-CD1 4.4Å; F419-I426 HydrophobicContact CZ-CD1 4.34Å; F419-I430 HydrophobicContact CD2-CG2 3.92Å; F419-I430 HydrophobicContact CE2-CG2 4.34Å; F419-I430 HydrophobicContact CG-CG2 4.42Å; F419-L431 HydrophobicContact CE2-CD2 3.93Å; F419-L431 HydrophobicContact CZ-CD2 3.98Å; F419-F475 HydrophobicContact CZ-CE2 4.38Å; F419-F475 HydrophobicContact CZ-CZ 4.41Å
420C78.5Confident86.2Confident19 Ų1949 Ų4913%0.12829%0.29CS..  trans-153-179.9-173.959.20000111.6R383 M405 T418R383-C420 VanDerWaalsContact CZ-SG 3.53Å; M405-C420 HydrophobicContact SD-CB 4.2Å; T418-C420 HydrophobicContact CG2-CB 4.37Å; T418-C420 PolarHBondContact O-N 3.41Å
421G79.9Confident85.7Confident20 Ų2048.7 Ų48.721%0.20629%0.289CS..SBendtrans94158.7-177.700000113.8R383 I426R383-G421 WeakPolarHBondContact O-CA 3.4Å; G421-I426 WeakPolarHBondContact O-CD1 3.3Å
422T84.3Confident85.5Confident39 Ų3943.9 Ų43.924%0.23927%0.27CS..  trans-71129.9-178.7-67.50000112.1D384 K386 N424 Y425 I426D384-T422 VanDerWaalsContact OD1-CB 3.23Å; D384-T422 WeakPolarHBondContact OD1-CB 3.2Å; D384-T422 PolarHBondContact OD1-N 3.38Å; D384-T422 PolarHBondContact OD1-OG1 2.87Å; K386-T422 HydrophobicContact CD-CG2 4.14Å; K386-T422 WeakPolarHBondContact CD-OG1 3.26Å; T422-N424 VanDerWaalsContact C-N 3.35Å; T422-N424 PolarHBondContact O-N 2.8Å; T422-Y425 HydrophobicContact CG2-CD2 3.89Å; T422-Y425 HydrophobicContact CG2-CE2 4.22Å; T422-Y425 PolarHBondContact O-N 2.95Å; T422-I426 WeakPolarHBondContact O-CG1 3.45Å; T422-I426 PolarHBondContact O-N 3.14Å
423P86.9Confident85.3Confident40 Ų4040.2 Ų40.226%0.2626%0.257SS..THydrogen-bonded Turntrans-48-38.5-165.9-3536.9000118.4Y425 L474 F475P423-Y425 VanDerWaalsContact C-N 3.29Å; P423-Y425 PolarHBondContact O-N 3.35Å; P423-L474 HydrophobicContact CB-CD2 3.86Å; P423-F475 HydrophobicContact CB-CE1 4Å; P423-F475 HydrophobicContact CB-CZ 4.35Å
424N88.3Confident85.5Confident54 Ų5440.3 Ų40.329%0.28924%0.237SC..THydrogen-bonded Turntrans-69.8-23.3178.8-80.1-41.8000113.9T422 F459 L474T422-N424 VanDerWaalsContact C-N 3.35Å; T422-N424 PolarHBondContact O-N 2.8Å; N424-F459 WeakPolarHBondContact O-CD2 3.48Å; N424-F459 VanDerWaalsContact O-CE2 3.31Å; N424-F459 WeakPolarHBondContact O-CE2 3.45Å; N424-L474 WeakPolarHBondContact OD1-CD2 3.4Å
425Y95.2Very high85.4Confident14 Ų1440.7 Ų40.76%0.05524%0.239CC..THydrogen-bonded Turntrans-104.6-6.4-173.8-56.8-88.1000113.1L385 K386 L387 T422 P423 A427 W443 V447 L448 E451L385-Y425 VanDerWaalsContact O-CD1 3.29Å; L385-Y425 WeakPolarHBondContact O-CD1 3.46Å; K386-Y425 HydrophobicContact CB-CD2 3.74Å; K386-Y425 HydrophobicContact CB-CE1 4.4Å; K386-Y425 HydrophobicContact CB-CE2 3.33Å; K386-Y425 HydrophobicContact CB-CG 4.41Å; L387-Y425 PolarHBondContact N-OH 3.38Å; T422-Y425 HydrophobicContact CG2-CD2 3.89Å; T422-Y425 HydrophobicContact CG2-CE2 4.22Å; T422-Y425 PolarHBondContact O-N 2.95Å; P423-Y425 VanDerWaalsContact C-N 3.29Å; P423-Y425 PolarHBondContact O-N 3.35Å; Y425-A427 PolarHBondContact O-N 2.68Å; Y425-W443 VanDerWaalsContact O-CD1 3.23Å; Y425-V447 HydrophobicContact CD1-CB 3.76Å; Y425-V447 HydrophobicContact CD1-CG1 3.53Å; Y425-V447 HydrophobicContact CE1-CB 4.15Å; Y425-V447 HydrophobicContact CE1-CG1 3.63Å; Y425-V447 HydrophobicContact CG-CG1 4.34Å; Y425-L448 HydrophobicContact CE1-CB 4.24Å; Y425-E451 VanDerWaalsContact CE1-OE2 3.26Å; Y425-E451 WeakPolarHBondContact CE1-OE2 3.44Å; Y425-E451 VanDerWaalsContact CZ-OE2 3.23Å; Y425-E451 PolarHBondContact OH-OE2 2.86Å
426I92.1Very high85.4Confident6 Ų637 Ų373%0.03122%0.216CC..  trans-62.7128.8-177.4-53.7-176000110.8F419 G421 T422 I430 L431 W443 F475F419-I426 HydrophobicContact CE1-CD1 4.4Å; F419-I426 HydrophobicContact CZ-CD1 4.34Å; G421-I426 WeakPolarHBondContact O-CD1 3.3Å; T422-I426 WeakPolarHBondContact O-CG1 3.45Å; T422-I426 PolarHBondContact O-N 3.14Å; I426-I430 HydrophobicContact CG2-CB 3.66Å; I426-I430 HydrophobicContact CG2-CD1 4.08Å; I426-I430 HydrophobicContact CG2-CG1 4.43Å; I426-I430 HydrophobicContact CG2-CG2 3.71Å; I426-L431 HydrophobicContact CB-CD2 4.16Å; I426-L431 HydrophobicContact CB-CG 4.38Å; I426-L431 HydrophobicContact CG2-CD2 3.64Å; I426-L431 HydrophobicContact CG2-CG 3.82Å; I426-W443 PolarHBondContact O-NE1 3.43Å; I426-F475 HydrophobicContact CD1-CE1 3.99Å; I426-F475 HydrophobicContact CD1-CZ 4.32Å
427A95.2Very high85.9Confident0 Ų036.6 Ų36.60%022%0.216CC..  trans-73.3149.1-177.900000113.3Y425 E429 I430 L431 V440 W443Y425-A427 PolarHBondContact O-N 2.68Å; A427-E429 HydrophobicContact CB-CG 4.34Å; A427-E429 PolarHBondContact O-N 2.95Å; A427-E429 VanDerWaalsContact O-N 3.14Å; A427-I430 HydrophobicContact CB-CD1 4.32Å; A427-I430 HydrophobicContact CB-CG1 4.33Å; A427-I430 PolarHBondContact O-N 3.06Å; A427-L431 PolarHBondContact O-N 3.06Å; A427-V440 HydrophobicContact CB-CB 3.89Å; A427-V440 HydrophobicContact CB-CG1 3.84Å; A427-W443 HydrophobicContact CB-CB 3.99Å; A427-W443 HydrophobicContact CB-CG 3.85Å
428P94.4Very high86.6Confident2 Ų235.2 Ų35.21%0.01320%0.2CC..Hα-helixtrans-58.7-27.5-178.2-28.337000114.8R432 W443 I478 L479 K503P428-R432 WeakPolarHBondContact O-CB 3.47Å; P428-R432 VanDerWaalsContact O-CG 3.23Å; P428-R432 WeakPolarHBondContact O-CG 3.48Å; P428-R432 PolarHBondContact O-N 2.68Å; P428-R432 PolarHBondContact O-NE 2.86Å; P428-W443 HydrophobicContact CG-CD2 4.3Å; P428-W443 HydrophobicContact CG-CE3 4.05Å; P428-W443 HydrophobicContact CG-CH2 3.47Å; P428-W443 VanDerWaalsContact CG-CH2 3.47Å; P428-W443 HydrophobicContact CG-CZ2 3.75Å; P428-W443 HydrophobicContact CG-CZ3 3.64Å; P428-I478 HydrophobicContact CG-CG2 4.05Å; P428-L479 HydrophobicContact CB-CD2 4.23Å; P428-K503 HydrophobicContact CB-CB 4.33Å; P428-K503 HydrophobicContact CG-CB 4.16Å; P428-K503 HydrophobicContact CG-CG 4.18Å
429E93.4Very high87.6Confident2 Ų232.7 Ų32.71%0.00919%0.185CC..Hα-helixtrans-70.5-42173.257.8-91.1-14600113.1A427 L431 R432 G433 E434 S439 V440 P505 R508A427-E429 HydrophobicContact CB-CG 4.34Å; A427-E429 PolarHBondContact O-N 2.95Å; A427-E429 VanDerWaalsContact O-N 3.14Å; E429-L431 VanDerWaalsContact C-N 3.32Å; E429-L431 PolarHBondContact O-N 2.97Å; E429-R432 CarbonylContact O-C 3.58Å; E429-R432 PolarHBondContact O-N 2.91Å; E429-R432 VanDerWaalsContact O-N 3.14Å; E429-G433 PolarHBondContact O-N 3.08Å; E429-G433 VanDerWaalsContact O-N 3.08Å; E429-E434 HydrophobicContact CB-CB 4.3Å; E429-E434 PolarHBondContact O-N 2.76Å; E429-S439 WeakPolarHBondContact OE1-CB 3.3Å; E429-S439 PolarHBondContact OE1-OG 2.74Å; E429-V440 HydrophobicContact CG-CG1 4.03Å; E429-P505 HydrophobicContact CB-CG 4.45Å; E429-R508 IonicContact OE1-CZ 2.82Å; E429-R508 IonicContact OE1-NH1 2.66Å; E429-R508 PolarHBondContact OE1-NH1 3.06Å; E429-R508 IonicContact OE1-NH2 2.73Å; E429-R508 IonicContact OE2-CZ 2.75Å; E429-R508 IonicContact OE2-NH1 2.82Å; E429-R508 PolarHBondContact OE2-NH1 3.22Å; E429-R508 IonicContact OE2-NH2 3.88Å; E429-R508 PolarHBondContact OE2-NH2 3.29Å
430I85.5Confident88.5Confident9 Ų928.5 Ų28.55%0.04617%0.167CC..Hα-helixtrans-61.5-45.8173.4-54.8175.5000109.1F419 I426 A427 R432 G433 Y436 V440F419-I430 HydrophobicContact CD2-CG2 3.92Å; F419-I430 HydrophobicContact CE2-CG2 4.34Å; F419-I430 HydrophobicContact CG-CG2 4.42Å; I426-I430 HydrophobicContact CG2-CB 3.66Å; I426-I430 HydrophobicContact CG2-CD1 4.08Å; I426-I430 HydrophobicContact CG2-CG1 4.43Å; I426-I430 HydrophobicContact CG2-CG2 3.71Å; A427-I430 HydrophobicContact CB-CD1 4.32Å; A427-I430 HydrophobicContact CB-CG1 4.33Å; A427-I430 PolarHBondContact O-N 3.06Å; I430-R432 VanDerWaalsContact C-N 3.3Å; I430-R432 PolarHBondContact O-N 2.79Å; I430-G433 PolarHBondContact O-N 3.34Å; I430-Y436 HydrophobicContact CD1-CE1 4.44Å; I430-Y436 HydrophobicContact CD1-CE2 4.43Å; I430-Y436 HydrophobicContact CG1-CD1 3.78Å; I430-Y436 HydrophobicContact CG1-CD2 4.39Å; I430-Y436 HydrophobicContact CG1-CE1 3.82Å; I430-Y436 HydrophobicContact CG1-CE2 4.43Å; I430-Y436 HydrophobicContact CG1-CG 4.07Å; I430-Y436 HydrophobicContact CG2-CE1 4.43Å; I430-V440 HydrophobicContact CD1-CB 3.93Å; I430-V440 HydrophobicContact CD1-CG1 3.75Å; I430-V440 HydrophobicContact CD1-CG2 4.38Å; I430-V440 HydrophobicContact CG1-CB 4.48Å; I430-V440 HydrophobicContact CG1-CG1 3.76Å
431L79.3Confident89.4Confident5 Ų527.6 Ų27.63%0.02616%0.161CC..Hα-helixtrans-61.9-36.8175.8-66.4-174.6000112.2L154 F419 I426 A427 E429 G433 F475 I478 L479L154-L431 WeakPolarHBondContact CD1-O 3.43Å; L154-L431 WeakPolarHBondContact CD2-O 3.16Å; F419-L431 HydrophobicContact CE2-CD2 3.93Å; F419-L431 HydrophobicContact CZ-CD2 3.98Å; I426-L431 HydrophobicContact CB-CD2 4.16Å; I426-L431 HydrophobicContact CB-CG 4.38Å; I426-L431 HydrophobicContact CG2-CD2 3.64Å; I426-L431 HydrophobicContact CG2-CG 3.82Å; A427-L431 PolarHBondContact O-N 3.06Å; E429-L431 VanDerWaalsContact C-N 3.32Å; E429-L431 PolarHBondContact O-N 2.97Å; L431-G433 PolarHBondContact O-N 3Å; L431-F475 HydrophobicContact CD1-CB 4Å; L431-F475 HydrophobicContact CD1-CD1 4.04Å; L431-F475 HydrophobicContact CD1-CG 4.33Å; L431-F475 HydrophobicContact CD2-CB 4.08Å; L431-F475 HydrophobicContact CD2-CD1 3.47Å; L431-F475 VanDerWaalsContact CD2-CD1 3.47Å; L431-F475 HydrophobicContact CD2-CD2 4.34Å; L431-F475 HydrophobicContact CD2-CE1 3.96Å; L431-F475 HydrophobicContact CD2-CG 3.7Å; L431-F475 HydrophobicContact CG-CD1 4.43Å; L431-I478 HydrophobicContact CD1-CB 3.68Å; L431-I478 HydrophobicContact CD1-CD1 4.1Å; L431-I478 HydrophobicContact CD1-CG1 4.5Å; L431-I478 HydrophobicContact CD1-CG2 3.46Å; L431-I478 VanDerWaalsContact CD1-CG2 3.46Å; L431-L479 HydrophobicContact CB-CD1 4.27Å; L431-L479 HydrophobicContact CB-CD2 3.84Å; L431-L479 HydrophobicContact CB-CG 4.11Å; L431-L479 HydrophobicContact CD1-CD2 4.5Å; L431-L479 HydrophobicContact CD1-CG 4.18Å
432R82.5Confident90.3Very high84 Ų8427 Ų2732%0.31715%0.153SC..Hα-helixtrans-73.1-5.8173.4-77.7173.8-68.3141.6-4114.2L154 P428 E429 I430 E434 L479 K503L154-R432 WeakPolarHBondContact CD2-O 3.46Å; P428-R432 WeakPolarHBondContact O-CB 3.47Å; P428-R432 VanDerWaalsContact O-CG 3.23Å; P428-R432 WeakPolarHBondContact O-CG 3.48Å; P428-R432 PolarHBondContact O-N 2.68Å; P428-R432 PolarHBondContact O-NE 2.86Å; E429-R432 CarbonylContact O-C 3.58Å; E429-R432 PolarHBondContact O-N 2.91Å; E429-R432 VanDerWaalsContact O-N 3.14Å; I430-R432 VanDerWaalsContact C-N 3.3Å; I430-R432 PolarHBondContact O-N 2.79Å; R432-E434 HydrophobicContact CB-CG 3.95Å; R432-E434 WeakPolarHBondContact CB-OE1 3.38Å; R432-E434 WeakPolarHBondContact CD-OE1 3.34Å; R432-E434 IonicContact CZ-OE1 3.79Å; R432-E434 IonicContact CZ-OE2 3.86Å; R432-E434 VanDerWaalsContact CZ-OE2 3.27Å; R432-E434 IonicContact NE-OE1 3.96Å; R432-E434 IonicContact NH1-OE1 2.7Å; R432-E434 PolarHBondContact NH1-OE1 2.7Å; R432-E434 IonicContact NH1-OE2 3.59Å; R432-E434 PolarHBondContact NH1-OE2 3.14Å; R432-E434 IonicContact NH2-OE2 3.38Å; R432-E434 PolarHBondContact O-N 3.47Å; R432-L479 HydrophobicContact CG-CD2 3.75Å; R432-K503 PolarHBondContact NH2-O 3.41Å; R432-K503 VanDerWaalsContact NH2-O 3.09Å
433G78.5Confident91Very high57 Ų5725.1 Ų25.159%0.58814%0.141SC*.THydrogen-bonded Turntrans63.531.6-176.500000112.3E429 I430 L431E429-G433 PolarHBondContact O-N 3.08Å; E429-G433 VanDerWaalsContact O-N 3.08Å; I430-G433 PolarHBondContact O-N 3.34Å; L431-G433 PolarHBondContact O-N 3Å
434E83.4Confident91.5Very high79 Ų7923.4 Ų23.437%0.36913%0.131SC..  trans-87.1152.1174.2-70.6169.6-160.400110E429 R432 Y436E429-E434 HydrophobicContact CB-CB 4.3Å; E429-E434 PolarHBondContact O-N 2.76Å; R432-E434 HydrophobicContact CB-CG 3.95Å; R432-E434 WeakPolarHBondContact CB-OE1 3.38Å; R432-E434 WeakPolarHBondContact CD-OE1 3.34Å; R432-E434 IonicContact CZ-OE1 3.79Å; R432-E434 IonicContact CZ-OE2 3.86Å; R432-E434 VanDerWaalsContact CZ-OE2 3.27Å; R432-E434 IonicContact NE-OE1 3.96Å; R432-E434 IonicContact NH1-OE1 2.7Å; R432-E434 PolarHBondContact NH1-OE1 2.7Å; R432-E434 IonicContact NH1-OE2 3.59Å; R432-E434 PolarHBondContact NH1-OE2 3.14Å; R432-E434 IonicContact NH2-OE2 3.38Å; R432-E434 PolarHBondContact O-N 3.47Å; E434-Y436 PolarHBondContact O-N 3.06Å
435D84.6Confident92Very high83 Ų8320.9 Ų20.944%0.44412%0.117SC..  trans-69.4125.6173-49.5-63.8000108.5R140 T416 S417R140-D435 IonicContact NH2-OD2 2.69Å; R140-D435 PolarHBondContact NH2-OD2 3.03Å; T416-D435 CarbonylContact O-C 3.48Å; T416-D435 WeakPolarHBondContact O-CA 3.47Å; S417-D435 WeakPolarHBondContact CB-OD1 3.49Å
436Y90.2Very high92.2Very high5 Ų520.2 Ų20.22%0.0211%0.114CC..BIsolated β-bridgetrans-127163.1-168.667.8-96.4000113.3I381 R383 T415 T416 T418 I430 E434 V440I381-Y436 HydrophobicContact CD1-CD2 4.49Å; I381-Y436 HydrophobicContact CD1-CE2 4.4Å; R383-Y436 WeakPolarHBondContact CD-OH 3.44Å; R383-Y436 PolarHBondContact NH1-OH 3.04Å; R383-Y436 VanDerWaalsContact NH1-OH 3.09Å; T415-Y436 CarbonylContact C-O 3.3Å; T415-Y436 WeakPolarHBondContact CA-O 3.4Å; T415-Y436 VanDerWaalsContact CB-O 3.31Å; T415-Y436 WeakPolarHBondContact CB-O 3.44Å; T416-Y436 HydrophobicContact CG2-CD2 4.06Å; T416-Y436 HydrophobicContact CG2-CE1 4.2Å; T416-Y436 HydrophobicContact CG2-CE2 3.48Å; T416-Y436 VanDerWaalsContact CG2-CE2 3.48Å; T416-Y436 PolarHBondContact N-O 2.86Å; T416-Y436 WeakPolarHBondContact O-CD1 3.46Å; T416-Y436 PolarHBondContact O-N 3.4Å; T418-Y436 VanDerWaalsContact O-CE1 3.3Å; T418-Y436 WeakPolarHBondContact O-CE1 3.37Å; T418-Y436 PolarHBondContact O-OH 2.89Å; I430-Y436 HydrophobicContact CD1-CE1 4.44Å; I430-Y436 HydrophobicContact CD1-CE2 4.43Å; I430-Y436 HydrophobicContact CG1-CD1 3.78Å; I430-Y436 HydrophobicContact CG1-CD2 4.39Å; I430-Y436 HydrophobicContact CG1-CE1 3.82Å; I430-Y436 HydrophobicContact CG1-CE2 4.43Å; I430-Y436 HydrophobicContact CG1-CG 4.07Å; I430-Y436 HydrophobicContact CG2-CE1 4.43Å; E434-Y436 PolarHBondContact O-N 3.06Å; Y436-V440 HydrophobicContact CD2-CB 4.42Å; Y436-V440 HydrophobicContact CD2-CG1 3.47Å; Y436-V440 VanDerWaalsContact CD2-CG1 3.47Å; Y436-V440 HydrophobicContact CD2-CG2 4.05Å; Y436-V440 HydrophobicContact CE2-CG1 4.19Å; Y436-V440 HydrophobicContact CE2-CG2 4.15Å; Y436-V440 HydrophobicContact CG-CG1 3.83Å
437G94.2Very high92.5Very high12 Ų1219.9 Ų19.912%0.12411%0.113CC..  trans-132.6-147.7176.200000111.8S439 V440G437-S439 PolarHBondContact O-N 3.43Å; G437-V440 PolarHBondContact O-N 2.8Å
438F96.1Very high92.7Very high47 Ų4719.9 Ų19.921%0.20611%0.113CC..THydrogen-bonded Turntrans-54.6-15.4179.1-50.6-60.2000115.6H376 I381 I410 V440 D441H376-F438 HydrophobicContact CB-CD1 3.84Å; H376-F438 HydrophobicContact CB-CE1 4.16Å; H376-F438 HydrophobicContact CB-CG 4.06Å; H376-F438 AromaticContact CD2-CD1 3.38Å; H376-F438 WeakPolarHBondContact CD2-CD1 2.98Å; H376-F438 AromaticContact CD2-CG 3.98Å; H376-F438 AromaticContact CG-CD1 3.57Å; H376-F438 AromaticContact CG-CG 3.8Å; H376-F438 AromaticContact NE2-CD1 3.99Å; I381-F438 HydrophobicContact CB-CD1 4.43Å; I381-F438 HydrophobicContact CG1-CD1 3.68Å; I381-F438 HydrophobicContact CG1-CE1 3.83Å; I410-F438 HydrophobicContact CB-CE1 4.31Å; I410-F438 HydrophobicContact CB-CZ 4.05Å; I410-F438 HydrophobicContact CG2-CE1 4.18Å; I410-F438 HydrophobicContact CG2-CE2 4.2Å; I410-F438 HydrophobicContact CG2-CZ 3.71Å; F438-V440 PolarHBondContact O-N 2.91Å; F438-V440 VanDerWaalsContact O-N 3.12Å; F438-D441 PolarHBondContact O-N 3.37Å
439S97.3Very high92.9Very high16 Ų1619.8 Ų19.811%0.11211%0.112CC..Hα-helixtrans-56.5-27.9179.6600000114.2E429 G437 W442 W443 R508 C511E429-S439 WeakPolarHBondContact OE1-CB 3.3Å; E429-S439 PolarHBondContact OE1-OG 2.74Å; G437-S439 PolarHBondContact O-N 3.43Å; S439-W442 PolarHBondContact O-N 2.95Å; S439-W443 PolarHBondContact O-N 3.12Å; S439-R508 PolarHBondContact O-NH1 3.32Å; S439-C511 VanDerWaalsContact CA-SG 3.57Å
440V97.9Very high93.1Very high5 Ų519.9 Ų19.93%0.0311%0.113CC..Hα-helixtrans-71.7-33.4-175.1-53.70000112.3I381 R383 A427 E429 I430 Y436 G437 F438 W443 A444I381-V440 HydrophobicContact CG2-CG2 3.65Å; R383-V440 HydrophobicContact CG-CG2 4.3Å; A427-V440 HydrophobicContact CB-CB 3.89Å; A427-V440 HydrophobicContact CB-CG1 3.84Å; E429-V440 HydrophobicContact CG-CG1 4.03Å; I430-V440 HydrophobicContact CD1-CB 3.93Å; I430-V440 HydrophobicContact CD1-CG1 3.75Å; I430-V440 HydrophobicContact CD1-CG2 4.38Å; I430-V440 HydrophobicContact CG1-CB 4.48Å; I430-V440 HydrophobicContact CG1-CG1 3.76Å; Y436-V440 HydrophobicContact CD2-CB 4.42Å; Y436-V440 HydrophobicContact CD2-CG1 3.47Å; Y436-V440 VanDerWaalsContact CD2-CG1 3.47Å; Y436-V440 HydrophobicContact CD2-CG2 4.05Å; Y436-V440 HydrophobicContact CE2-CG1 4.19Å; Y436-V440 HydrophobicContact CE2-CG2 4.15Å; Y436-V440 HydrophobicContact CG-CG1 3.83Å; G437-V440 PolarHBondContact O-N 2.8Å; F438-V440 PolarHBondContact O-N 2.91Å; F438-V440 VanDerWaalsContact O-N 3.12Å; V440-W443 WeakPolarHBondContact O-CB 3.46Å; V440-W443 PolarHBondContact O-N 3.16Å; V440-A444 PolarHBondContact O-N 2.96Å
441D98.4Very high93.6Very high1 Ų120.1 Ų20.11%0.00511%0.113CC..Hα-helixtrans-71.3-38.9177.4-61-25.6000110.8L372 H376 I381 Y382 R383 F438 W443 A444 L445L372-D441 HydrophobicContact CD1-CB 4.03Å; L372-D441 HydrophobicContact CD2-CB 3.9Å; H376-D441 IonicContact CD2-OD2 2.76Å; H376-D441 IonicContact CE1-OD2 3.94Å; H376-D441 IonicContact NE2-OD2 3.9Å; H376-D441 PolarHBondContact NE2-OD2 3.29Å; I381-D441 WeakPolarHBondContact CG2-OD2 3.36Å; Y382-D441 PolarHBondContact N-OD1 2.92Å; Y382-D441 PolarHBondContact N-OD2 2.9Å; R383-D441 WeakPolarHBondContact CA-OD1 3.47Å; R383-D441 PolarHBondContact N-OD1 3.03Å; F438-D441 PolarHBondContact O-N 3.37Å; D441-W443 VanDerWaalsContact C-N 3.28Å; D441-W443 PolarHBondContact O-N 3.41Å; D441-A444 PolarHBondContact O-N 3.4Å; D441-L445 PolarHBondContact O-N 2.9Å
442W98.6Very high94.5Very high6 Ų619.9 Ų19.92%0.02311%0.112CC..Hα-helixtrans-65.1-30.7174-61.1125.6000112.9C369 L372 H376 S439 L445 G446 F500 G510 F517 I520C369-W442 HydrophobicContact CB-CZ3 4.24Å; L372-W442 HydrophobicContact CB-CH2 3.89Å; L372-W442 HydrophobicContact CB-CZ2 4.44Å; L372-W442 HydrophobicContact CB-CZ3 4.16Å; L372-W442 HydrophobicContact CD1-CE3 4.08Å; L372-W442 HydrophobicContact CD1-CH2 4.41Å; L372-W442 HydrophobicContact CD1-CZ3 3.87Å; H376-W442 AromaticContact CE1-CE2 3.57Å; H376-W442 AromaticContact CE1-CZ2 3.68Å; H376-W442 AromaticContact CE1-NE1 3.52Å; H376-W442 AromaticContact ND1-CE2 3.63Å; H376-W442 AromaticContact ND1-CZ2 3.46Å; H376-W442 WeakPolarHBondContact ND1-CZ2 3.48Å; H376-W442 AromaticContact ND1-NE1 3.5Å; S439-W442 PolarHBondContact O-N 2.95Å; W442-L445 HydrophobicContact CE3-CD2 3.93Å; W442-L445 HydrophobicContact CZ3-CD2 4.01Å; W442-G446 PolarHBondContact O-N 2.82Å; W442-F500 HydrophobicContact CB-CD1 4.09Å; W442-F500 HydrophobicContact CB-CE1 4.31Å; W442-F500 HydrophobicContact CD2-CE1 4.44Å; W442-F500 AromaticContact CE3-CE1 3.91Å; W442-F500 HydrophobicContact CE3-CE1 3.91Å; W442-F500 HydrophobicContact CE3-CZ 4.48Å; W442-F500 WeakPolarHBondContact O-CB 2.95Å; W442-F500 WeakPolarHBondContact O-CD1 3.43Å; W442-G510 PolarHBondContact NE1-O 3.06Å; W442-F517 HydrophobicContact CH2-CD2 4.41Å; W442-I520 HydrophobicContact CD2-CD1 3.89Å; W442-I520 HydrophobicContact CE3-CD1 3.58Å; W442-I520 HydrophobicContact CH2-CD1 3.67Å; W442-I520 HydrophobicContact CZ2-CD1 3.93Å; W442-I520 HydrophobicContact CZ3-CD1 3.47Å; W442-I520 VanDerWaalsContact CZ3-CD1 3.47Å
443W98.7Very high95.2Very high0 Ų016.1 Ų16.10%010%0.099CC..Hα-helixtrans-69.2-48.1169.5169.5-86.1000111.9Y425 I426 A427 P428 S439 V440 D441 L445 G446 V447 F459 I478 I483 L501 K503Y425-W443 VanDerWaalsContact O-CD1 3.23Å; I426-W443 PolarHBondContact O-NE1 3.43Å; A427-W443 HydrophobicContact CB-CB 3.99Å; A427-W443 HydrophobicContact CB-CG 3.85Å; P428-W443 HydrophobicContact CG-CD2 4.3Å; P428-W443 HydrophobicContact CG-CE3 4.05Å; P428-W443 HydrophobicContact CG-CH2 3.47Å; P428-W443 VanDerWaalsContact CG-CH2 3.47Å; P428-W443 HydrophobicContact CG-CZ2 3.75Å; P428-W443 HydrophobicContact CG-CZ3 3.64Å; S439-W443 PolarHBondContact O-N 3.12Å; V440-W443 WeakPolarHBondContact O-CB 3.46Å; V440-W443 PolarHBondContact O-N 3.16Å; D441-W443 VanDerWaalsContact C-N 3.28Å; D441-W443 PolarHBondContact O-N 3.41Å; W443-L445 VanDerWaalsContact C-N 3.28Å; W443-L445 PolarHBondContact O-N 3.33Å; W443-G446 WeakPolarHBondContact O-CA 3.38Å; W443-G446 PolarHBondContact O-N 2.96Å; W443-V447 PolarHBondContact O-N 3.06Å; W443-F459 HydrophobicContact CH2-CZ 4.2Å; W443-F459 HydrophobicContact CZ2-CE1 4.27Å; W443-F459 HydrophobicContact CZ2-CE2 4.31Å; W443-F459 AromaticContact CZ2-CZ 3.51Å; W443-F459 HydrophobicContact CZ2-CZ 3.51Å; W443-I478 HydrophobicContact CZ2-CG2 3.85Å; W443-I483 HydrophobicContact CH2-CD1 3.99Å; W443-L501 HydrophobicContact CD2-CD2 4.2Å; W443-L501 HydrophobicContact CE3-CD2 4.22Å; W443-L501 HydrophobicContact CH2-CD2 4.37Å; W443-L501 HydrophobicContact CZ2-CD2 4.34Å; W443-L501 VanDerWaalsContact CZ3-C 3.5Å; W443-L501 HydrophobicContact CZ3-CB 4.23Å; W443-L501 HydrophobicContact CZ3-CD2 4.32Å; W443-L501 WeakPolarHBondContact CZ3-O 3.42Å; W443-K503 HydrophobicContact CH2-CG 4.28Å; W443-K503 HydrophobicContact CZ3-CG 4.16Å
444A98.6Very high96Very high5 Ų514.4 Ų14.44%0.0418%0.078CC..Hα-helixtrans-60.3-38.6179.300000111.8L385 V440 D441 G446 V447 L448L385-A444 HydrophobicContact CB-CB 3.95Å; L385-A444 HydrophobicContact CD2-CB 4.46Å; V440-A444 PolarHBondContact O-N 2.96Å; D441-A444 PolarHBondContact O-N 3.4Å; A444-G446 VanDerWaalsContact C-N 3.32Å; A444-G446 PolarHBondContact O-N 2.94Å; A444-V447 WeakPolarHBondContact O-CB 3.32Å; A444-V447 PolarHBondContact O-N 2.78Å; A444-V447 VanDerWaalsContact O-N 3.15Å; A444-L448 WeakPolarHBondContact O-CB 3.31Å; A444-L448 PolarHBondContact O-N 2.74Å
445L98.8Very high96.5Very high0 Ų012.3 Ų12.30%08%0.079CC..Hα-helixtrans-59.7-41.917017763000111.7A365 I368 C369 L385 D441 W442 W443 V447 L448 M449 F500A365-L445 HydrophobicContact CB-CD1 4.23Å; I368-L445 HydrophobicContact CB-CD1 4.21Å; I368-L445 HydrophobicContact CD1-CD1 4.38Å; I368-L445 HydrophobicContact CG2-CD1 3.89Å; C369-L445 WeakPolarHBondContact SG-CD2 3.1Å; L385-L445 HydrophobicContact CD2-CB 3.89Å; L385-L445 HydrophobicContact CD2-CD1 4.42Å; D441-L445 PolarHBondContact O-N 2.9Å; W442-L445 HydrophobicContact CE3-CD2 3.93Å; W442-L445 HydrophobicContact CZ3-CD2 4.01Å; W443-L445 VanDerWaalsContact C-N 3.28Å; W443-L445 PolarHBondContact O-N 3.33Å; L445-V447 VanDerWaalsContact C-N 3.28Å; L445-V447 PolarHBondContact O-N 3.42Å; L445-L448 PolarHBondContact O-N 2.97Å; L445-M449 HydrophobicContact CD1-CG 3.94Å; L445-M449 HydrophobicContact CD1-SD 4.26Å; L445-M449 HydrophobicContact CG-CG 4.21Å; L445-M449 HydrophobicContact CG-SD 4.06Å; L445-M449 VanDerWaalsContact O-CB 3.28Å; L445-M449 WeakPolarHBondContact O-CB 2.95Å; L445-M449 VanDerWaalsContact O-CG 3.23Å; L445-M449 WeakPolarHBondContact O-CG 3.24Å; L445-M449 PolarHBondContact O-N 2.89Å; L445-F500 HydrophobicContact CD2-CE1 4.21Å; L445-F500 HydrophobicContact CD2-CE2 3.98Å; L445-F500 HydrophobicContact CD2-CZ 3.75Å; L445-F500 HydrophobicContact CG-CE2 4.44Å
446G98.7Very high96.8Very high0 Ų014.4 Ų14.40%08%0.08CC..Hα-helixtrans-58.1-38.2173.700000113.5W442 W443 A444 F450W442-G446 PolarHBondContact O-N 2.82Å; W443-G446 WeakPolarHBondContact O-CA 3.38Å; W443-G446 PolarHBondContact O-N 2.96Å; A444-G446 VanDerWaalsContact C-N 3.32Å; A444-G446 PolarHBondContact O-N 2.94Å; G446-F450 PolarHBondContact O-N 3.07Å; G446-F450 VanDerWaalsContact O-N 3.1Å
447V98.5Very high96.9Very high0 Ų014.4 Ų14.40%08%0.081CC..Hα-helixtrans-68.9-50.5176.1177.50000110.2Y425 W443 A444 L445 M449 F450 E451 P458 F459 L501Y425-V447 HydrophobicContact CD1-CB 3.76Å; Y425-V447 HydrophobicContact CD1-CG1 3.53Å; Y425-V447 HydrophobicContact CE1-CB 4.15Å; Y425-V447 HydrophobicContact CE1-CG1 3.63Å; Y425-V447 HydrophobicContact CG-CG1 4.34Å; W443-V447 PolarHBondContact O-N 3.06Å; A444-V447 WeakPolarHBondContact O-CB 3.32Å; A444-V447 PolarHBondContact O-N 2.78Å; A444-V447 VanDerWaalsContact O-N 3.15Å; L445-V447 VanDerWaalsContact C-N 3.28Å; L445-V447 PolarHBondContact O-N 3.42Å; V447-M449 VanDerWaalsContact C-N 3.34Å; V447-M449 PolarHBondContact O-N 3.42Å; V447-F450 WeakPolarHBondContact O-CA 3.29Å; V447-F450 WeakPolarHBondContact O-CB 3.47Å; V447-F450 PolarHBondContact O-N 3.2Å; V447-E451 PolarHBondContact O-N 3.48Å; V447-P458 HydrophobicContact CB-CG 4.39Å; V447-P458 HydrophobicContact CG1-CG 3.92Å; V447-P458 HydrophobicContact CG2-CG 4.3Å; V447-F459 HydrophobicContact CG1-CE2 4.39Å; V447-F459 HydrophobicContact CG2-CE2 3.81Å; V447-F459 HydrophobicContact CG2-CZ 4.21Å; V447-L501 HydrophobicContact CG2-CD2 3.66Å
448L98.4Very high96.9Very high0 Ų014.8 Ų14.80%08%0.081CC..Hα-helixtrans-60.9-41.3179.6-162.9159.8000111.6L346 I368 L385 L387 V390 Y425 A444 L445 F450 E451 M452L346-L448 HydrophobicContact CD1-CD2 4.41Å; I368-L448 HydrophobicContact CD1-CD2 4.23Å; L385-L448 HydrophobicContact CD1-CD1 3.73Å; L385-L448 HydrophobicContact CD2-CD1 4.42Å; L385-L448 HydrophobicContact CG-CD1 3.79Å; L387-L448 HydrophobicContact CD2-CD2 3.91Å; L387-L448 HydrophobicContact CD2-CG 3.85Å; L387-L448 HydrophobicContact CG-CG 4.27Å; V390-L448 HydrophobicContact CG2-CD1 3.82Å; Y425-L448 HydrophobicContact CE1-CB 4.24Å; A444-L448 WeakPolarHBondContact O-CB 3.31Å; A444-L448 PolarHBondContact O-N 2.74Å; L445-L448 PolarHBondContact O-N 2.97Å; L448-F450 PolarHBondContact O-N 2.75Å; L448-E451 PolarHBondContact O-N 3.32Å; L448-M452 HydrophobicContact CD2-CE 3.7Å; L448-M452 HydrophobicContact CD2-CG 4.03Å; L448-M452 HydrophobicContact CD2-SD 3.93Å; L448-M452 WeakPolarHBondContact O-CG 3.37Å; L448-M452 PolarHBondContact O-N 2.58Å
449M98.6Very high96.6Very high0 Ų013 Ų130%07%0.073CC..Hα-helixtrans-62.8-38.2172.3-75.1-175.577.500112.9A365 L445 V447 M452 M453 V496 L497 F500 F525 F526A365-M449 HydrophobicContact CB-CE 3.8Å; A365-M449 HydrophobicContact CB-CG 3.75Å; A365-M449 HydrophobicContact CB-SD 3.69Å; L445-M449 HydrophobicContact CD1-CG 3.94Å; L445-M449 HydrophobicContact CD1-SD 4.26Å; L445-M449 HydrophobicContact CG-CG 4.21Å; L445-M449 HydrophobicContact CG-SD 4.06Å; L445-M449 VanDerWaalsContact O-CB 3.28Å; L445-M449 WeakPolarHBondContact O-CB 2.95Å; L445-M449 VanDerWaalsContact O-CG 3.23Å; L445-M449 WeakPolarHBondContact O-CG 3.24Å; L445-M449 PolarHBondContact O-N 2.89Å; V447-M449 VanDerWaalsContact C-N 3.34Å; V447-M449 PolarHBondContact O-N 3.42Å; M449-M452 HydrophobicContact CG-CE 4.15Å; M449-M453 HydrophobicContact CB-CE 4.06Å; M449-M453 HydrophobicContact CE-CE 4.16Å; M449-M453 WeakPolarHBondContact O-CE 3.13Å; M449-M453 PolarHBondContact O-N 3.12Å; M449-V496 HydrophobicContact CE-CG1 3.66Å; M449-V496 HydrophobicContact CE-CG2 4.28Å; M449-L497 HydrophobicContact CB-CD2 3.69Å; M449-F500 HydrophobicContact SD-CD2 3.78Å; M449-F500 HydrophobicContact SD-CE2 3.65Å; M449-F525 HydrophobicContact CE-CD1 3.9Å; M449-F525 HydrophobicContact CE-CE1 3.34Å; M449-F525 HydrophobicContact CE-CZ 4.01Å; M449-F526 HydrophobicContact CE-CZ 4.06Å; M449-F526 HydrophobicContact SD-CZ 4.42Å
450F98.3Very high95.7Very high4 Ų416.4 Ų16.42%0.0189%0.09CC..Hα-helixtrans-64.4-47.2174.7-174.3-75.8000109.9G446 V447 L448 M453 A454 R456 P458 I483 I485 P486 L497 L501G446-F450 PolarHBondContact O-N 3.07Å; G446-F450 VanDerWaalsContact O-N 3.1Å; V447-F450 WeakPolarHBondContact O-CA 3.29Å; V447-F450 WeakPolarHBondContact O-CB 3.47Å; V447-F450 PolarHBondContact O-N 3.2Å; L448-F450 PolarHBondContact O-N 2.75Å; F450-M453 PolarHBondContact O-N 3.35Å; F450-A454 HydrophobicContact CD1-CB 3.73Å; F450-A454 HydrophobicContact CE1-CB 3.49Å; F450-A454 VanDerWaalsContact CE1-CB 3.49Å; F450-A454 HydrophobicContact CG-CB 4.49Å; F450-A454 HydrophobicContact CZ-CB 4.1Å; F450-A454 WeakPolarHBondContact O-CB 3.34Å; F450-A454 PolarHBondContact O-N 2.73Å; F450-R456 WeakPolarHBondContact CD1-O 3.47Å; F450-P458 HydrophobicContact CB-CB 4.3Å; F450-P458 HydrophobicContact CB-CG 4.24Å; F450-P458 HydrophobicContact CD1-CB 3.72Å; F450-P458 HydrophobicContact CD1-CG 4.14Å; F450-P458 HydrophobicContact CD2-CB 3.89Å; F450-P458 VanDerWaalsContact CE1-CA 3.45Å; F450-P458 HydrophobicContact CE1-CB 3.93Å; F450-P458 HydrophobicContact CE2-CB 4.07Å; F450-P458 HydrophobicContact CG-CB 3.72Å; F450-P458 HydrophobicContact CG-CG 4.14Å; F450-P458 HydrophobicContact CZ-CB 4.1Å; F450-I483 HydrophobicContact CD2-CG2 4.35Å; F450-I483 HydrophobicContact CE2-CG2 4.07Å; F450-I485 HydrophobicContact CD2-CD1 4.13Å; F450-I485 HydrophobicContact CE2-CD1 4.08Å; F450-P486 HydrophobicContact CZ-CG 4.32Å; F450-L497 HydrophobicContact CB-CD2 4Å; F450-L497 HydrophobicContact CD2-CD1 4.13Å; F450-L501 HydrophobicContact CB-CD1 4.37Å; F450-L501 HydrophobicContact CD2-CD1 4.39Å
451E96.6Very high94.2Very high13 Ų1318.9 Ų18.96%0.06110%0.103CC..Hα-helixtrans-59.3-49.6179.4-73173153.700111.8M350 L387 Y425 V447 L448 M453 A454 G455 R456M350-E451 WeakPolarHBondContact CE-O 3.16Å; L387-E451 HydrophobicContact CD1-CB 4.19Å; Y425-E451 VanDerWaalsContact CE1-OE2 3.26Å; Y425-E451 WeakPolarHBondContact CE1-OE2 3.44Å; Y425-E451 VanDerWaalsContact CZ-OE2 3.23Å; Y425-E451 PolarHBondContact OH-OE2 2.86Å; V447-E451 PolarHBondContact O-N 3.48Å; L448-E451 PolarHBondContact O-N 3.32Å; E451-M453 VanDerWaalsContact C-N 3.32Å; E451-M453 PolarHBondContact O-N 3.48Å; E451-A454 PolarHBondContact O-N 2.79Å; E451-G455 WeakPolarHBondContact O-CA 3.4Å; E451-G455 PolarHBondContact O-N 3.46Å; E451-R456 WeakPolarHBondContact CA-O 3.24Å
452M97.7Very high92.2Very high0 Ų026.4 Ų26.40%014%0.141CC..Hα-helixtrans-52.5-47.6175.5-75.4-167.2-64.800112.2L346 L356 A361 Y364 A365 L387 L448 M449L346-M452 HydrophobicContact CD1-SD 4.2Å; L356-M452 HydrophobicContact CD1-CB 4.18Å; L356-M452 HydrophobicContact CD1-CG 3.96Å; L356-M452 HydrophobicContact CD1-SD 3.85Å; L356-M452 PolarHBondContact N-O 2.88Å; A361-M452 HydrophobicContact CB-CB 3.97Å; A361-M452 HydrophobicContact CB-CE 4.05Å; A361-M452 HydrophobicContact CB-SD 4.36Å; Y364-M452 HydrophobicContact CD2-SD 4.04Å; A365-M452 HydrophobicContact CB-CE 4.43Å; L387-M452 HydrophobicContact CD2-CG 4.35Å; L448-M452 HydrophobicContact CD2-CE 3.7Å; L448-M452 HydrophobicContact CD2-CG 4.03Å; L448-M452 HydrophobicContact CD2-SD 3.93Å; L448-M452 WeakPolarHBondContact O-CG 3.37Å; L448-M452 PolarHBondContact O-N 2.58Å; M449-M452 HydrophobicContact CG-CE 4.15Å
453M97.8Very high90Very high6 Ų628.1 Ų28.13%0.0315%0.153CC..Hα-helixtrans-84.8-28.3-174.1-68.7-175.2-82.700114.3E358 A361 M449 F450 E451 L489 A493 L497 F525E358-M453 HydrophobicContact CB-SD 4.32Å; E358-M453 HydrophobicContact CG-CG 4.46Å; E358-M453 HydrophobicContact CG-SD 3.9Å; A361-M453 HydrophobicContact CB-CG 3.49Å; A361-M453 VanDerWaalsContact CB-CG 3.49Å; A361-M453 HydrophobicContact CB-SD 4.16Å; M449-M453 HydrophobicContact CB-CE 4.06Å; M449-M453 HydrophobicContact CE-CE 4.16Å; M449-M453 WeakPolarHBondContact O-CE 3.13Å; M449-M453 PolarHBondContact O-N 3.12Å; F450-M453 PolarHBondContact O-N 3.35Å; E451-M453 VanDerWaalsContact C-N 3.32Å; E451-M453 PolarHBondContact O-N 3.48Å; M453-L489 HydrophobicContact CB-CD1 4.01Å; M453-L489 HydrophobicContact CB-CD2 3.89Å; M453-A493 HydrophobicContact CE-CB 4.36Å; M453-A493 HydrophobicContact SD-CB 3.79Å; M453-L497 HydrophobicContact CE-CD1 3.94Å; M453-L497 HydrophobicContact CE-CD2 3.85Å; M453-L497 HydrophobicContact CE-CG 3.95Å; M453-F525 HydrophobicContact CE-CZ 4.28Å; M453-F525 HydrophobicContact SD-CE2 4.12Å; M453-F525 HydrophobicContact SD-CZ 4.02Å
454A95.2Very high87.8Confident20 Ų2036.1 Ų36.117%0.16520%0.195CC..Hα-helixtrans-100.4-20.9-175.600000114.1F450 E451 P486F450-A454 HydrophobicContact CD1-CB 3.73Å; F450-A454 HydrophobicContact CE1-CB 3.49Å; F450-A454 VanDerWaalsContact CE1-CB 3.49Å; F450-A454 HydrophobicContact CG-CB 4.49Å; F450-A454 HydrophobicContact CZ-CB 4.1Å; F450-A454 WeakPolarHBondContact O-CB 3.34Å; F450-A454 PolarHBondContact O-N 2.73Å; E451-A454 PolarHBondContact O-N 2.79Å; A454-P486 HydrophobicContact CB-CG 4Å
455G93.4Very high85.7Confident36 Ų3639.6 Ų39.637%0.37121%0.213SC..SBendtrans74.922.8-177.800000115.3R354 E451R354-G455 WeakPolarHBondContact O-CA 3.37Å; E451-G455 WeakPolarHBondContact O-CA 3.4Å; E451-G455 PolarHBondContact O-N 3.46Å
456R92.1Very high83.5Confident127 Ų12743 Ų4348%0.47924%0.235SC..SBendtrans-169164.4179.768.1164.2-179.1-96.6-2.7110.9F450 E451 D460F450-R456 WeakPolarHBondContact CD1-O 3.47Å; E451-R456 WeakPolarHBondContact CA-O 3.24Å; R456-D460 WeakPolarHBondContact CB-OD2 3.3Å
457S92.2Very high81.4Confident5 Ų547.4 Ų47.44%0.03526%0.259CS..  trans-64.8146.2176.9163.70000112.1F459 D460S457-F459 PolarHBondContact O-N 3.24Å; S457-F459 PolarHBondContact OG-N 2.81Å; S457-D460 WeakPolarHBondContact CB-OD2 3.36Å; S457-D460 PolarHBondContact N-OD2 3.28Å; S457-D460 PolarHBondContact O-N 3.31Å
458P92.6Very high79.3Confident19 Ų1950 Ų5012%0.12327%0.272CS..THydrogen-bonded Turntrans-63.6-15.1169.425.1-32000113.5V447 F450 I483V447-P458 HydrophobicContact CB-CG 4.39Å; V447-P458 HydrophobicContact CG1-CG 3.92Å; V447-P458 HydrophobicContact CG2-CG 4.3Å; F450-P458 HydrophobicContact CB-CB 4.3Å; F450-P458 HydrophobicContact CB-CG 4.24Å; F450-P458 HydrophobicContact CD1-CB 3.72Å; F450-P458 HydrophobicContact CD1-CG 4.14Å; F450-P458 HydrophobicContact CD2-CB 3.89Å; F450-P458 VanDerWaalsContact CE1-CA 3.45Å; F450-P458 HydrophobicContact CE1-CB 3.93Å; F450-P458 HydrophobicContact CE2-CB 4.07Å; F450-P458 HydrophobicContact CG-CB 3.72Å; F450-P458 HydrophobicContact CG-CG 4.14Å; F450-P458 HydrophobicContact CZ-CB 4.1Å; P458-I483 HydrophobicContact CB-CG2 3.89Å
459F90Very high77.5Confident10 Ų1055.9 Ų55.94%0.04430%0.303CS..THydrogen-bonded Turntrans-106.2-0.5-179.9-47.3-57000113.4N424 W443 V447 S457 I461 L474 V477 I478 I483N424-F459 WeakPolarHBondContact O-CD2 3.48Å; N424-F459 VanDerWaalsContact O-CE2 3.31Å; N424-F459 WeakPolarHBondContact O-CE2 3.45Å; W443-F459 HydrophobicContact CH2-CZ 4.2Å; W443-F459 HydrophobicContact CZ2-CE1 4.27Å; W443-F459 HydrophobicContact CZ2-CE2 4.31Å; W443-F459 AromaticContact CZ2-CZ 3.51Å; W443-F459 HydrophobicContact CZ2-CZ 3.51Å; V447-F459 HydrophobicContact CG1-CE2 4.39Å; V447-F459 HydrophobicContact CG2-CE2 3.81Å; V447-F459 HydrophobicContact CG2-CZ 4.21Å; S457-F459 PolarHBondContact O-N 3.24Å; S457-F459 PolarHBondContact OG-N 2.81Å; F459-I461 WeakPolarHBondContact O-CG1 3.39Å; F459-I461 PolarHBondContact O-N 2.97Å; F459-L474 HydrophobicContact CB-CD1 3.58Å; F459-L474 HydrophobicContact CD2-CD1 4.44Å; F459-L474 HydrophobicContact CG-CD1 4.24Å; F459-V477 HydrophobicContact CB-CG1 3.96Å; F459-V477 HydrophobicContact CD1-CG1 4.11Å; F459-V477 HydrophobicContact CG-CG1 4.45Å; F459-I478 HydrophobicContact CD1-CG1 3.8Å; F459-I478 HydrophobicContact CD2-CD1 4.13Å; F459-I478 HydrophobicContact CD2-CG1 3.67Å; F459-I478 HydrophobicContact CE1-CB 4.49Å; F459-I478 HydrophobicContact CE1-CG1 3.92Å; F459-I478 HydrophobicContact CE2-CD1 4.3Å; F459-I478 HydrophobicContact CE2-CG1 3.79Å; F459-I478 HydrophobicContact CG-CG1 3.71Å; F459-I478 HydrophobicContact CZ-CG1 3.95Å; F459-I483 HydrophobicContact CE1-CD1 3.72Å; F459-I483 HydrophobicContact CE1-CG1 3.84Å; F459-I483 HydrophobicContact CZ-CD1 4.05Å
460D79.3Confident76.3Confident87 Ų8758.8 Ų58.847%0.46532%0.321SS..  trans-61.5110.2174.7-82.6-30.1000111.1R456 S457R456-D460 WeakPolarHBondContact CB-OD2 3.3Å; S457-D460 WeakPolarHBondContact CB-OD2 3.36Å; S457-D460 PolarHBondContact N-OD2 3.28Å; S457-D460 PolarHBondContact O-N 3.31Å
461I65.4Low75.2Confident58 Ų5864.2 Ų64.230%0.29735%0.346SS..  trans-114.499.4174.8-58.2148.2000107.4F459 T463 Y473 V477 K481F459-I461 WeakPolarHBondContact O-CG1 3.39Å; F459-I461 PolarHBondContact O-N 2.97Å; I461-T463 HydrophobicContact CB-CG2 4.46Å; I461-T463 HydrophobicContact CG2-CG2 3.49Å; I461-T463 VanDerWaalsContact CG2-CG2 3.49Å; I461-T463 PolarHBondContact O-N 3.37Å; I461-Y473 HydrophobicContact CD1-CE1 3.82Å; I461-V477 HydrophobicContact CD1-CB 3.98Å; I461-V477 HydrophobicContact CD1-CG1 3.51Å; I461-V477 HydrophobicContact CD1-CG2 3.23Å; I461-K481 HydrophobicContact CD1-CD 4.12Å
462I56.1Low74.1Confident159 Ų15970.3 Ų70.382%0.81538%0.375SS*.  trans-61.4107.5169.2-54.6171.5000107.6
463T53.7Low73.3Confident42 Ų4272.2 Ų72.226%0.25838%0.382SS..  trans-133146.416788.50000109.7I461 N465 M468I461-T463 HydrophobicContact CB-CG2 4.46Å; I461-T463 HydrophobicContact CG2-CG2 3.49Å; I461-T463 VanDerWaalsContact CG2-CG2 3.49Å; I461-T463 PolarHBondContact O-N 3.37Å; T463-N465 PolarHBondContact O-N 3.14Å; T463-N465 PolarHBondContact OG1-N 2.98Å; T463-N465 PolarHBondContact OG1-O 3.26Å; T463-M468 HydrophobicContact CG2-CB 4.37Å; T463-M468 HydrophobicContact CG2-CG 4.23Å
464D52.4Low72.6Confident168 Ų16873.3 Ų73.390%0.89839%0.388SS*.SBendtrans-79.56.7173.7-45.5-69.3000112.8
465N53.6Low72.2Confident78 Ų7874.1 Ų74.142%0.41739%0.388SS..  trans-106.5106.5-175.4-171.613.6000111.3T463 D467 M468T463-N465 PolarHBondContact O-N 3.14Å; T463-N465 PolarHBondContact OG1-N 2.98Å; T463-N465 PolarHBondContact OG1-O 3.26Å; N465-D467 PolarHBondContact O-N 3.02Å; N465-M468 HydrophobicContact CB-CG 4.12Å; N465-M468 WeakPolarHBondContact O-CB 3.34Å; N465-M468 WeakPolarHBondContact O-CG 3.11Å; N465-M468 PolarHBondContact O-N 2.79Å; N465-M468 VanDerWaalsContact O-N 3.1Å
466P52.9Low71.7Confident72 Ų7276.5 Ų76.547%0.46839%0.389SS..G310 helixtrans-58-26.8-171.1-27.335.4000115.1K87 M468 N469K87-P466 HydrophobicContact CD-CB 4.4Å; P466-M468 PolarHBondContact O-N 3.46Å; P466-N469 WeakPolarHBondContact O-CB 3.31Å; P466-N469 PolarHBondContact O-N 3.03Å
467D54.3Low71.5Confident91 Ų9170.7 Ų70.749%0.48737%0.368SS..G310 helixtrans-69.8-14.2-175.5-49.9-13.9000111.9K87 N465 T470K87-D467 IonicContact NZ-OD1 3.31Å; K87-D467 PolarHBondContact NZ-OD1 3.42Å; N465-D467 PolarHBondContact O-N 3.02Å; D467-T470 PolarHBondContact O-OG1 3.42Å
468M55Low71.4Confident55 Ų5570.4 Ų70.427%0.27137%0.366SS..G310 helixtrans-80.8-11.5172.1-52-827300113.1T463 N465 P466 T470 Y473T463-M468 HydrophobicContact CG2-CB 4.37Å; T463-M468 HydrophobicContact CG2-CG 4.23Å; N465-M468 HydrophobicContact CB-CG 4.12Å; N465-M468 WeakPolarHBondContact O-CB 3.34Å; N465-M468 WeakPolarHBondContact O-CG 3.11Å; N465-M468 PolarHBondContact O-N 2.79Å; N465-M468 VanDerWaalsContact O-N 3.1Å; P466-M468 PolarHBondContact O-N 3.46Å; M468-T470 PolarHBondContact O-N 2.85Å; M468-Y473 HydrophobicContact CB-CD1 4.04Å; M468-Y473 HydrophobicContact CB-CE1 3.9Å; M468-Y473 HydrophobicContact CE-CD2 3.56Å; M468-Y473 HydrophobicContact CE-CE2 3.41Å; M468-Y473 VanDerWaalsContact CE-CE2 3.41Å; M468-Y473 HydrophobicContact CE-CG 4.17Å; M468-Y473 HydrophobicContact CG-CE1 4.48Å; M468-Y473 WeakPolarHBondContact O-CD1 3.34Å; M468-Y473 HydrophobicContact SD-CD2 4.19Å; M468-Y473 HydrophobicContact SD-CE1 4.03Å; M468-Y473 HydrophobicContact SD-CE2 3.51Å; M468-Y473 VanDerWaalsContact SD-CE2 3.51Å; M468-Y473 PolarHBondContact SD-OH 3.2Å; M468-Y473 VanDerWaalsContact SD-OH 3.34Å
469N60.3Low71.1Confident124 Ų12471.9 Ų71.966%0.66337%0.372SS*.SBendtrans-91.244.6-178.4-63.3-6.1000111.7P466P466-N469 WeakPolarHBondContact O-CB 3.31Å; P466-N469 PolarHBondContact O-N 3.03Å
470T72.8Confident70.9Confident61 Ų6177.6 Ų77.637%0.37440%0.4SS..SBendtrans-114.6148.7-178.149.70000111.5D467 M468 E472 Y473 L474D467-T470 PolarHBondContact O-OG1 3.42Å; M468-T470 PolarHBondContact O-N 2.85Å; T470-E472 VanDerWaalsContact C-N 3.26Å; T470-E472 PolarHBondContact O-N 3.03Å; T470-Y473 PolarHBondContact O-N 3.19Å; T470-Y473 VanDerWaalsContact O-N 3.09Å; T470-Y473 WeakPolarHBondContact OG1-CB 3.43Å; T470-Y473 PolarHBondContact OG1-N 2.9Å; T470-L474 PolarHBondContact O-N 3.32Å
471E76.2Confident71.2Confident118 Ų11877.2 Ų77.255%0.55139%0.394SS*.Hα-helixtrans-57.4-41.5175.2-68.5-17817300111.1Y473 L474 F475E471-Y473 VanDerWaalsContact C-N 3.28Å; E471-Y473 PolarHBondContact O-N 3Å; E471-L474 WeakPolarHBondContact O-CB 3.49Å; E471-L474 PolarHBondContact O-N 2.73Å; E471-F475 HydrophobicContact CB-CE2 3.91Å; E471-F475 HydrophobicContact CB-CZ 4.04Å; E471-F475 WeakPolarHBondContact O-CD2 3.41Å; E471-F475 WeakPolarHBondContact O-CG 3.46Å; E471-F475 PolarHBondContact O-N 2.93Å
472E73.9Confident72.3Confident141 Ų14179.2 Ų79.266%0.65941%0.41SS*.Hα-helixtrans-60.2-35.8176.4-66.491.5159.700113T470 Q476T470-E472 VanDerWaalsContact C-N 3.26Å; T470-E472 PolarHBondContact O-N 3.03Å; E472-Q476 PolarHBondContact O-N 2.85Å
473Y79.3Confident74Confident40 Ų4073.5 Ų73.516%0.15738%0.381CS..Hα-helixtrans-73.6-41.6174.5-173.1-104.5000112.1I461 M468 T470 E471 F475 Q476 V477 K481I461-Y473 HydrophobicContact CD1-CE1 3.82Å; M468-Y473 HydrophobicContact CB-CD1 4.04Å; M468-Y473 HydrophobicContact CB-CE1 3.9Å; M468-Y473 HydrophobicContact CE-CD2 3.56Å; M468-Y473 HydrophobicContact CE-CE2 3.41Å; M468-Y473 VanDerWaalsContact CE-CE2 3.41Å; M468-Y473 HydrophobicContact CE-CG 4.17Å; M468-Y473 HydrophobicContact CG-CE1 4.48Å; M468-Y473 WeakPolarHBondContact O-CD1 3.34Å; M468-Y473 HydrophobicContact SD-CD2 4.19Å; M468-Y473 HydrophobicContact SD-CE1 4.03Å; M468-Y473 HydrophobicContact SD-CE2 3.51Å; M468-Y473 VanDerWaalsContact SD-CE2 3.51Å; M468-Y473 PolarHBondContact SD-OH 3.2Å; M468-Y473 VanDerWaalsContact SD-OH 3.34Å; T470-Y473 PolarHBondContact O-N 3.19Å; T470-Y473 VanDerWaalsContact O-N 3.09Å; T470-Y473 WeakPolarHBondContact OG1-CB 3.43Å; T470-Y473 PolarHBondContact OG1-N 2.9Å; E471-Y473 VanDerWaalsContact C-N 3.28Å; E471-Y473 PolarHBondContact O-N 3Å; Y473-F475 VanDerWaalsContact C-N 3.28Å; Y473-F475 PolarHBondContact O-N 2.87Å; Y473-Q476 PolarHBondContact O-N 3.46Å; Y473-V477 HydrophobicContact CD1-CG2 3.81Å; Y473-V477 HydrophobicContact CE1-CG2 3.62Å; Y473-V477 HydrophobicContact CG-CG2 4.37Å; Y473-V477 WeakPolarHBondContact O-CB 3.13Å; Y473-V477 WeakPolarHBondContact O-CG2 3.29Å; Y473-V477 PolarHBondContact O-N 2.85Å; Y473-K481 PolarHBondContact OH-NZ 2.9Å
474L84.2Confident75.8Confident29 Ų2981.5 Ų81.515%0.15241%0.407CS..Hα-helixtrans-55.9-44172.7173.760.3000111.1P423 N424 F459 T470 E471 V477 I478P423-L474 HydrophobicContact CB-CD2 3.86Å; N424-L474 WeakPolarHBondContact OD1-CD2 3.4Å; F459-L474 HydrophobicContact CB-CD1 3.58Å; F459-L474 HydrophobicContact CD2-CD1 4.44Å; F459-L474 HydrophobicContact CG-CD1 4.24Å; T470-L474 PolarHBondContact O-N 3.32Å; E471-L474 WeakPolarHBondContact O-CB 3.49Å; E471-L474 PolarHBondContact O-N 2.73Å; L474-V477 WeakPolarHBondContact O-CB 3.46Å; L474-V477 PolarHBondContact O-N 2.81Å; L474-I478 HydrophobicContact CD1-CD1 4Å; L474-I478 HydrophobicContact CD1-CG1 4.28Å; L474-I478 HydrophobicContact CG-CD1 3.99Å; L474-I478 WeakPolarHBondContact O-CG1 3.16Å; L474-I478 PolarHBondContact O-N 2.86Å
475F86.3Confident77.8Confident36 Ų3675.1 Ų75.116%0.15837%0.372CS..Hα-helixtrans-65.1-42.1176-57.9-28.5000112.4F419 P423 I426 L431 E471 Y473 V477 I478 L479F419-F475 HydrophobicContact CZ-CE2 4.38Å; F419-F475 HydrophobicContact CZ-CZ 4.41Å; P423-F475 HydrophobicContact CB-CE1 4Å; P423-F475 HydrophobicContact CB-CZ 4.35Å; I426-F475 HydrophobicContact CD1-CE1 3.99Å; I426-F475 HydrophobicContact CD1-CZ 4.32Å; L431-F475 HydrophobicContact CD1-CB 4Å; L431-F475 HydrophobicContact CD1-CD1 4.04Å; L431-F475 HydrophobicContact CD1-CG 4.33Å; L431-F475 HydrophobicContact CD2-CB 4.08Å; L431-F475 HydrophobicContact CD2-CD1 3.47Å; L431-F475 VanDerWaalsContact CD2-CD1 3.47Å; L431-F475 HydrophobicContact CD2-CD2 4.34Å; L431-F475 HydrophobicContact CD2-CE1 3.96Å; L431-F475 HydrophobicContact CD2-CG 3.7Å; L431-F475 HydrophobicContact CG-CD1 4.43Å; E471-F475 HydrophobicContact CB-CE2 3.91Å; E471-F475 HydrophobicContact CB-CZ 4.04Å; E471-F475 WeakPolarHBondContact O-CD2 3.41Å; E471-F475 WeakPolarHBondContact O-CG 3.46Å; E471-F475 PolarHBondContact O-N 2.93Å; Y473-F475 VanDerWaalsContact C-N 3.28Å; Y473-F475 PolarHBondContact O-N 2.87Å; F475-V477 VanDerWaalsContact C-N 3.26Å; F475-V477 PolarHBondContact O-N 3.28Å; F475-I478 HydrophobicContact CD1-CD1 4.49Å; F475-I478 PolarHBondContact O-N 3.17Å; F475-L479 WeakPolarHBondContact O-CB 3.06Å; F475-L479 VanDerWaalsContact O-CG 3.26Å; F475-L479 WeakPolarHBondContact O-CG 3.33Å; F475-L479 PolarHBondContact O-N 3.2Å
476Q83.2Confident79.7Confident87 Ų8772.6 Ų72.641%0.40736%0.36SS..Hα-helixtrans-59.9-38.7172.1-173-177.1-0.500111.6E472 Y473 L479 E480E472-Q476 PolarHBondContact O-N 2.85Å; Y473-Q476 PolarHBondContact O-N 3.46Å; Q476-L479 PolarHBondContact O-N 3.05Å; Q476-E480 VanDerWaalsContact CG-CD 3.49Å; Q476-E480 HydrophobicContact CG-CG 4.16Å; Q476-E480 WeakPolarHBondContact CG-OE2 3.34Å; Q476-E480 PolarHBondContact NE2-OE2 2.83Å; Q476-E480 WeakPolarHBondContact O-CB 3.19Å; Q476-E480 PolarHBondContact O-N 2.83Å
477V87.7Confident81.6Confident4 Ų481.5 Ų81.52%0.02438%0.384CS..Hα-helixtrans-65.7-47.8179164.50000111.6F459 I461 Y473 L474 F475 L479 K481F459-V477 HydrophobicContact CB-CG1 3.96Å; F459-V477 HydrophobicContact CD1-CG1 4.11Å; F459-V477 HydrophobicContact CG-CG1 4.45Å; I461-V477 HydrophobicContact CD1-CB 3.98Å; I461-V477 HydrophobicContact CD1-CG1 3.51Å; I461-V477 HydrophobicContact CD1-CG2 3.23Å; Y473-V477 HydrophobicContact CD1-CG2 3.81Å; Y473-V477 HydrophobicContact CE1-CG2 3.62Å; Y473-V477 HydrophobicContact CG-CG2 4.37Å; Y473-V477 WeakPolarHBondContact O-CB 3.13Å; Y473-V477 WeakPolarHBondContact O-CG2 3.29Å; Y473-V477 PolarHBondContact O-N 2.85Å; L474-V477 WeakPolarHBondContact O-CB 3.46Å; L474-V477 PolarHBondContact O-N 2.81Å; F475-V477 VanDerWaalsContact C-N 3.26Å; F475-V477 PolarHBondContact O-N 3.28Å; V477-L479 VanDerWaalsContact C-N 3.29Å; V477-L479 PolarHBondContact O-N 3.39Å; V477-K481 HydrophobicContact CB-CD 4.46Å; V477-K481 HydrophobicContact CG1-CB 4.49Å; V477-K481 HydrophobicContact CG1-CD 4.25Å; V477-K481 HydrophobicContact CG2-CD 3.97Å; V477-K481 PolarHBondContact O-N 3.09Å
478I89.8Confident83.6Confident0 Ų081.9 Ų81.90%039%0.394CS..Hα-helixtrans-58.1-42.1174.9-70164.3000110.6P428 L431 W443 F459 L474 F475 K503P428-I478 HydrophobicContact CG-CG2 4.05Å; L431-I478 HydrophobicContact CD1-CB 3.68Å; L431-I478 HydrophobicContact CD1-CD1 4.1Å; L431-I478 HydrophobicContact CD1-CG1 4.5Å; L431-I478 HydrophobicContact CD1-CG2 3.46Å; L431-I478 VanDerWaalsContact CD1-CG2 3.46Å; W443-I478 HydrophobicContact CZ2-CG2 3.85Å; F459-I478 HydrophobicContact CD1-CG1 3.8Å; F459-I478 HydrophobicContact CD2-CD1 4.13Å; F459-I478 HydrophobicContact CD2-CG1 3.67Å; F459-I478 HydrophobicContact CE1-CB 4.49Å; F459-I478 HydrophobicContact CE1-CG1 3.92Å; F459-I478 HydrophobicContact CE2-CD1 4.3Å; F459-I478 HydrophobicContact CE2-CG1 3.79Å; F459-I478 HydrophobicContact CG-CG1 3.71Å; F459-I478 HydrophobicContact CZ-CG1 3.95Å; L474-I478 HydrophobicContact CD1-CD1 4Å; L474-I478 HydrophobicContact CD1-CG1 4.28Å; L474-I478 HydrophobicContact CG-CD1 3.99Å; L474-I478 WeakPolarHBondContact O-CG1 3.16Å; L474-I478 PolarHBondContact O-N 2.86Å; F475-I478 HydrophobicContact CD1-CD1 4.49Å; F475-I478 PolarHBondContact O-N 3.17Å; I478-K503 VanDerWaalsContact O-CE 3.29Å; I478-K503 WeakPolarHBondContact O-CE 3.26Å; I478-K503 PolarHBondContact O-NZ 3.45Å
479L86.9Confident85.6Confident49 Ų4980.4 Ų80.426%0.25739%0.387SS..Hα-helixtrans-71.1-51.2178.8-70.3173.2000113L154 P428 L431 R432 F475 Q476 V477 K503L154-L479 HydrophobicContact CD1-CD1 4.47Å; P428-L479 HydrophobicContact CB-CD2 4.23Å; L431-L479 HydrophobicContact CB-CD1 4.27Å; L431-L479 HydrophobicContact CB-CD2 3.84Å; L431-L479 HydrophobicContact CB-CG 4.11Å; L431-L479 HydrophobicContact CD1-CD2 4.5Å; L431-L479 HydrophobicContact CD1-CG 4.18Å; R432-L479 HydrophobicContact CG-CD2 3.75Å; F475-L479 WeakPolarHBondContact O-CB 3.06Å; F475-L479 VanDerWaalsContact O-CG 3.26Å; F475-L479 WeakPolarHBondContact O-CG 3.33Å; F475-L479 PolarHBondContact O-N 3.2Å; Q476-L479 PolarHBondContact O-N 3.05Å; V477-L479 VanDerWaalsContact C-N 3.29Å; V477-L479 PolarHBondContact O-N 3.39Å; L479-K503 WeakPolarHBondContact O-CD 3.43Å; L479-K503 PolarHBondContact O-NZ 2.84Å
480E85.4Confident87.4Confident131 Ų13176.4 Ų76.461%0.61237%0.368SS*.Hα-helixtrans-97.7-43.6-165.2-62.7-179.9173.900114.1Q476Q476-E480 VanDerWaalsContact CG-CD 3.49Å; Q476-E480 HydrophobicContact CG-CG 4.16Å; Q476-E480 WeakPolarHBondContact CG-OE2 3.34Å; Q476-E480 PolarHBondContact NE2-OE2 2.83Å; Q476-E480 WeakPolarHBondContact O-CB 3.19Å; Q476-E480 PolarHBondContact O-N 2.83Å
481K86.6Confident88.6Confident79 Ų7979.8 Ų79.834%0.34339%0.389SS..SBendtrans-78137.1-166.8-64.9-171-171.9168.60112.5I461 Y473 V477 K503I461-K481 HydrophobicContact CD1-CD 4.12Å; Y473-K481 PolarHBondContact OH-NZ 2.9Å; V477-K481 HydrophobicContact CB-CD 4.46Å; V477-K481 HydrophobicContact CG1-CB 4.49Å; V477-K481 HydrophobicContact CG1-CD 4.25Å; V477-K481 HydrophobicContact CG2-CD 3.97Å; V477-K481 PolarHBondContact O-N 3.09Å; K481-K503 WeakPolarHBondContact O-CE 3.47Å; K481-K503 PolarHBondContact O-NZ 2.7Å
482P88.6Confident89.6Confident100 Ų10078.1 Ų78.165%0.64938%0.38SS*.PPolyproline II helixtrans-74.5129174.529.5-33.5000110.5R484P482-R484 PolarHBondContact O-N 2.95Å
483I91Very high90.8Very high39 Ų3971.4 Ų71.420%0.235%0.349CS..PPolyproline II helixtrans-70.1129.1-176.3-64.1161.8000110.1W443 F450 P458 F459 I485 L501W443-I483 HydrophobicContact CH2-CD1 3.99Å; F450-I483 HydrophobicContact CD2-CG2 4.35Å; F450-I483 HydrophobicContact CE2-CG2 4.07Å; P458-I483 HydrophobicContact CB-CG2 3.89Å; F459-I483 HydrophobicContact CE1-CD1 3.72Å; F459-I483 HydrophobicContact CE1-CG1 3.84Å; F459-I483 HydrophobicContact CZ-CD1 4.05Å; I483-I485 HydrophobicContact CG2-CD1 4.24Å; I483-L501 HydrophobicContact CD1-CB 3.72Å; I483-L501 HydrophobicContact CD1-CD1 4.12Å; I483-L501 HydrophobicContact CD1-CD2 4.3Å; I483-L501 HydrophobicContact CD1-CG 4.27Å; I483-L501 HydrophobicContact CG2-CD1 4.19Å
484R91.6Very high91.7Very high210 Ų21070.5 Ų70.579%0.79235%0.349SS*.  trans-102.790.9-173.1-66.5-177.9178.3178.7-0.8111.1P482P482-R484 PolarHBondContact O-N 2.95Å
485I93.9Very high92.4Very high34 Ų3471.6 Ų71.617%0.17436%0.359CS..  trans-57129.4174.5-47.7-55.5000110.5F450 I483 L489 A494 L497 K498F450-I485 HydrophobicContact CD2-CD1 4.13Å; F450-I485 HydrophobicContact CE2-CD1 4.08Å; I483-I485 HydrophobicContact CG2-CD1 4.24Å; I485-L489 HydrophobicContact CG2-CB 4.4Å; I485-L489 HydrophobicContact CG2-CD1 4.06Å; I485-A494 HydrophobicContact CG2-CB 3.85Å; I485-L497 HydrophobicContact CD1-CB 3.76Å; I485-L497 HydrophobicContact CD1-CD1 4.09Å; I485-L497 HydrophobicContact CG2-CD1 4.32Å; I485-K498 HydrophobicContact CG1-CG 4.45Å
486P94.2Very high93Very high24 Ų2469.9 Ų69.916%0.15635%0.351CS..  trans-61.3138176.4-23.733.7000112.9F450 A454 S488 L489F450-P486 HydrophobicContact CZ-CG 4.32Å; A454-P486 HydrophobicContact CB-CG 4Å; P486-S488 PolarHBondContact O-N 2.76Å; P486-L489 HydrophobicContact CB-CG 4.38Å; P486-L489 HydrophobicContact CG-CD1 4.49Å; P486-L489 PolarHBondContact O-N 2.96Å; P486-L489 VanDerWaalsContact O-N 3.11Å
487R93.4Very high93.7Very high260 Ų26065.7 Ų65.798%0.98133%0.332SS*.THydrogen-bonded Turntrans-64.3-9.6177-65.5-176.1-178.4173.70.3114.6
488S95.2Very high94.2Very high98 Ų9872.2 Ų72.269%0.68536%0.36SS*.THydrogen-bonded Turntrans-82-12.2175.652.90000113.7P486P486-S488 PolarHBondContact O-N 2.76Å
489L97.1Very high94.6Very high24 Ų2473.1 Ų73.113%0.12637%0.369CS..SBendtrans-88.8148.1177.5-57.8-172.5000111E358 M453 I485 P486 A493 L497E358-L489 WeakPolarHBondContact OE1-CA 3.37Å; M453-L489 HydrophobicContact CB-CD1 4.01Å; M453-L489 HydrophobicContact CB-CD2 3.89Å; I485-L489 HydrophobicContact CG2-CB 4.4Å; I485-L489 HydrophobicContact CG2-CD1 4.06Å; P486-L489 HydrophobicContact CB-CG 4.38Å; P486-L489 HydrophobicContact CG-CD1 4.49Å; P486-L489 PolarHBondContact O-N 2.96Å; P486-L489 VanDerWaalsContact O-N 3.11Å; L489-A493 HydrophobicContact CB-CB 4.1Å; L489-L497 HydrophobicContact CD1-CD1 3.81Å
490S98.1Very high95.2Very high40 Ų4070.8 Ų70.828%0.2836%0.357SS..  trans-64.7160.1179.279.50000111.9E358 K492 A493 A494E358-S490 WeakPolarHBondContact OE1-CB 3.23Å; E358-S490 PolarHBondContact OE1-N 2.8Å; E358-S490 PolarHBondContact OE1-OG 2.94Å; E358-S490 VanDerWaalsContact OE2-CB 3.24Å; E358-S490 WeakPolarHBondContact OE2-CB 3.34Å; E358-S490 PolarHBondContact OE2-OG 2.82Å; S490-K492 PolarHBondContact O-N 3.16Å; S490-K492 PolarHBondContact OG-N 2.79Å; S490-A493 PolarHBondContact O-N 2.98Å; S490-A493 PolarHBondContact OG-N 2.85Å; S490-A493 VanDerWaalsContact OG-N 3.12Å; S490-A494 WeakPolarHBondContact O-CB 3.49Å; S490-A494 PolarHBondContact O-N 3.06Å
491V98.1Very high95.8Very high132 Ų13265.1 Ų65.180%0.833%0.331SS*.Hα-helixtrans-58.5-29.8174.2-177.40000111.4S495V491-S495 VanDerWaalsContact O-CB 3.3Å; V491-S495 WeakPolarHBondContact O-CB 3.2Å; V491-S495 PolarHBondContact O-N 3.05Å
492K98Very high96.3Very high84 Ų8464 Ų6437%0.36533%0.329SS..Hα-helixtrans-70.6-49.1176.6-62.9176.9173-171.10111.8S490 A494 S495 V496 T524 F525S490-K492 PolarHBondContact O-N 3.16Å; S490-K492 PolarHBondContact OG-N 2.79Å; K492-A494 VanDerWaalsContact C-N 3.35Å; K492-S495 WeakPolarHBondContact O-CB 3.38Å; K492-S495 PolarHBondContact O-N 3.46Å; K492-S495 VanDerWaalsContact O-N 3.14Å; K492-V496 PolarHBondContact O-N 2.78Å; K492-T524 WeakPolarHBondContact CD-O 3.37Å; K492-F525 HydrophobicContact CB-CB 4.28Å; K492-F525 HydrophobicContact CB-CD2 4.13Å
493A98.4Very high96.7Very high0 Ų061.7 Ų61.70%031%0.308CS..Hα-helixtrans-61.8-43.9175.300000111.1E358 M453 L489 S490 S495 V496 L497 F525E358-A493 HydrophobicContact CG-CB 4.38Å; E358-A493 WeakPolarHBondContact OE2-CB 3.45Å; M453-A493 HydrophobicContact CE-CB 4.36Å; M453-A493 HydrophobicContact SD-CB 3.79Å; L489-A493 HydrophobicContact CB-CB 4.1Å; S490-A493 PolarHBondContact O-N 2.98Å; S490-A493 PolarHBondContact OG-N 2.85Å; S490-A493 VanDerWaalsContact OG-N 3.12Å; A493-S495 PolarHBondContact O-N 3.19Å; A493-V496 WeakPolarHBondContact O-CG1 3.27Å; A493-V496 PolarHBondContact O-N 3.08Å; A493-L497 WeakPolarHBondContact O-CB 3.4Å; A493-L497 VanDerWaalsContact O-CG 3.24Å; A493-L497 WeakPolarHBondContact O-CG 3.35Å; A493-L497 PolarHBondContact O-N 2.71Å; A493-F525 HydrophobicContact CB-CD2 4.23Å; A493-F525 HydrophobicContact CB-CE2 3.96Å
494A98.3Very high96.9Very high20 Ų2063.1 Ų63.117%0.16532%0.316CS..Hα-helixtrans-65.2-22.4174.900000113.9I485 S490 K492 K498I485-A494 HydrophobicContact CG2-CB 3.85Å; S490-A494 WeakPolarHBondContact O-CB 3.49Å; S490-A494 PolarHBondContact O-N 3.06Å; K492-A494 VanDerWaalsContact C-N 3.35Å; A494-K498 VanDerWaalsContact O-CD 3.25Å; A494-K498 WeakPolarHBondContact O-CD 3.12Å; A494-K498 WeakPolarHBondContact O-CG 3.14Å
495S98.4Very high97.2Very high52 Ų5254.2 Ų54.236%0.36429%0.286SS..Hα-helixtrans-78.8-51.2172.6-174.10000111.5V491 K492 A493 L497 K498 G499 H523V491-S495 VanDerWaalsContact O-CB 3.3Å; V491-S495 WeakPolarHBondContact O-CB 3.2Å; V491-S495 PolarHBondContact O-N 3.05Å; K492-S495 WeakPolarHBondContact O-CB 3.38Å; K492-S495 PolarHBondContact O-N 3.46Å; K492-S495 VanDerWaalsContact O-N 3.14Å; A493-S495 PolarHBondContact O-N 3.19Å; S495-L497 PolarHBondContact O-N 3.2Å; S495-K498 PolarHBondContact O-N 2.8Å; S495-G499 PolarHBondContact O-N 2.85Å; S495-H523 PolarHBondContact OG-NE2 2.85Å
496V98.6Very high97.2Very high0 Ų060.2 Ų60.20%031%0.311CS..Hα-helixtrans-64.4-41-176.978.10000111.5M449 K492 A493 K498 G499 F500 L509 H523 F525 F526M449-V496 HydrophobicContact CE-CG1 3.66Å; M449-V496 HydrophobicContact CE-CG2 4.28Å; K492-V496 PolarHBondContact O-N 2.78Å; A493-V496 WeakPolarHBondContact O-CG1 3.27Å; A493-V496 PolarHBondContact O-N 3.08Å; V496-K498 VanDerWaalsContact C-N 3.33Å; V496-K498 PolarHBondContact O-N 2.83Å; V496-G499 PolarHBondContact O-N 3Å; V496-G499 VanDerWaalsContact O-N 3.11Å; V496-F500 HydrophobicContact CG2-CD2 3.88Å; V496-F500 HydrophobicContact CG2-CE2 3.65Å; V496-F500 PolarHBondContact O-N 2.87Å; V496-L509 HydrophobicContact CG2-CD2 3.85Å; V496-H523 VanDerWaalsContact CB-CE1 3.47Å; V496-H523 WeakPolarHBondContact CB-CE1 3.14Å; V496-H523 PolarHBondContact N-CE1 2.7Å; V496-H523 VanDerWaalsContact N-CE1 3.33Å; V496-F525 HydrophobicContact CB-CB 3.86Å; V496-F525 HydrophobicContact CB-CD1 4.29Å; V496-F525 HydrophobicContact CB-CG 4.1Å; V496-F525 HydrophobicContact CG1-CB 4.05Å; V496-F525 HydrophobicContact CG1-CD1 3.81Å; V496-F525 HydrophobicContact CG1-CD2 4.1Å; V496-F525 HydrophobicContact CG1-CE1 4.23Å; V496-F525 HydrophobicContact CG1-CG 3.72Å; V496-F525 HydrophobicContact CG2-CB 4.3Å; V496-F525 HydrophobicContact CG2-CD1 4.31Å; V496-F526 HydrophobicContact CG2-CE2 3.81Å; V496-F526 HydrophobicContact CG2-CZ 4.48Å
497L98.7Very high97.2Very high0 Ų065.6 Ų65.60%033%0.334CS..Hα-helixtrans-62.8-38.3176.8-69.3175.1000111.9M449 F450 M453 I485 L489 A493 S495 G499 L501M449-L497 HydrophobicContact CB-CD2 3.69Å; F450-L497 HydrophobicContact CB-CD2 4Å; F450-L497 HydrophobicContact CD2-CD1 4.13Å; M453-L497 HydrophobicContact CE-CD1 3.94Å; M453-L497 HydrophobicContact CE-CD2 3.85Å; M453-L497 HydrophobicContact CE-CG 3.95Å; I485-L497 HydrophobicContact CD1-CB 3.76Å; I485-L497 HydrophobicContact CD1-CD1 4.09Å; I485-L497 HydrophobicContact CG2-CD1 4.32Å; L489-L497 HydrophobicContact CD1-CD1 3.81Å; A493-L497 WeakPolarHBondContact O-CB 3.4Å; A493-L497 VanDerWaalsContact O-CG 3.24Å; A493-L497 WeakPolarHBondContact O-CG 3.35Å; A493-L497 PolarHBondContact O-N 2.71Å; S495-L497 PolarHBondContact O-N 3.2Å; L497-G499 VanDerWaalsContact C-N 3.34Å; L497-L501 WeakPolarHBondContact O-CB 3.24Å; L497-L501 WeakPolarHBondContact O-CG 3.47Å; L497-L501 PolarHBondContact O-N 2.7Å
498K97.9Very high97.4Very high141 Ų14153.3 Ų53.361%0.61329%0.288SS*.Hα-helixtrans-69.4-31.3174.5-74.9174.2-173.5177.30113I485 A494 S495 V496 N502I485-K498 HydrophobicContact CG1-CG 4.45Å; A494-K498 VanDerWaalsContact O-CD 3.25Å; A494-K498 WeakPolarHBondContact O-CD 3.12Å; A494-K498 WeakPolarHBondContact O-CG 3.14Å; S495-K498 PolarHBondContact O-N 2.8Å; V496-K498 VanDerWaalsContact C-N 3.33Å; V496-K498 PolarHBondContact O-N 2.83Å; K498-N502 PolarHBondContact O-N 3.32Å
499G98.1Very high97.6Very high19 Ų1949.9 Ų49.920%0.19626%0.261CS..Hα-helixtrans-66.7-52.2175.800000112S495 V496 L497 R508 L509S495-G499 PolarHBondContact O-N 2.85Å; V496-G499 PolarHBondContact O-N 3Å; V496-G499 VanDerWaalsContact O-N 3.11Å; L497-G499 VanDerWaalsContact C-N 3.34Å; G499-R508 WeakPolarHBondContact O-CA 3.3Å; G499-R508 WeakPolarHBondContact O-CG 3.36Å; G499-L509 VanDerWaalsContact C-CB 3.49Å; G499-L509 PolarHBondContact O-N 3.48Å
500F98.6Very high97.5Very high0 Ų049.2 Ų49.20%026%0.261CS..Hα-helixtrans-72.3-38.5178.8-72.8-51.4000113.2W442 L445 M449 V496 N502 R508 L509 I520 F526W442-F500 HydrophobicContact CB-CD1 4.09Å; W442-F500 HydrophobicContact CB-CE1 4.31Å; W442-F500 HydrophobicContact CD2-CE1 4.44Å; W442-F500 AromaticContact CE3-CE1 3.91Å; W442-F500 HydrophobicContact CE3-CE1 3.91Å; W442-F500 HydrophobicContact CE3-CZ 4.48Å; W442-F500 WeakPolarHBondContact O-CB 2.95Å; W442-F500 WeakPolarHBondContact O-CD1 3.43Å; L445-F500 HydrophobicContact CD2-CE1 4.21Å; L445-F500 HydrophobicContact CD2-CE2 3.98Å; L445-F500 HydrophobicContact CD2-CZ 3.75Å; L445-F500 HydrophobicContact CG-CE2 4.44Å; M449-F500 HydrophobicContact SD-CD2 3.78Å; M449-F500 HydrophobicContact SD-CE2 3.65Å; V496-F500 HydrophobicContact CG2-CD2 3.88Å; V496-F500 HydrophobicContact CG2-CE2 3.65Å; V496-F500 PolarHBondContact O-N 2.87Å; F500-N502 PolarHBondContact O-N 2.99Å; F500-R508 WeakPolarHBondContact O-CD 3.3Å; F500-R508 VanDerWaalsContact O-CG 3.26Å; F500-R508 WeakPolarHBondContact O-CG 3.45Å; F500-R508 PolarHBondContact O-NE 2.84Å; F500-L509 HydrophobicContact CD1-CB 3.92Å; F500-L509 HydrophobicContact CD1-CD2 4.24Å; F500-L509 HydrophobicContact CD1-CG 4.2Å; F500-L509 HydrophobicContact CD2-CD2 4.24Å; F500-L509 HydrophobicContact CE1-CB 4.12Å; F500-L509 HydrophobicContact CE1-CD2 3.99Å; F500-L509 HydrophobicContact CE1-CG 3.91Å; F500-L509 HydrophobicContact CE2-CD2 4Å; F500-L509 HydrophobicContact CG-CB 4.43Å; F500-L509 HydrophobicContact CG-CD2 4.36Å; F500-L509 HydrophobicContact CZ-CD2 3.87Å; F500-L509 HydrophobicContact CZ-CG 4.23Å; F500-I520 HydrophobicContact CE1-CD1 3.81Å; F500-I520 HydrophobicContact CE1-CG1 3.91Å; F500-I520 HydrophobicContact CZ-CD1 4.01Å; F500-I520 HydrophobicContact CZ-CG1 3.89Å; F500-I520 HydrophobicContact CZ-CG2 4.28Å; F500-F526 HydrophobicContact CE2-CE2 4.27Å; F500-F526 HydrophobicContact CE2-CZ 4.45Å
501L98.4Very high97.4Very high12 Ų1248.7 Ų48.76%0.06326%0.257CS..THydrogen-bonded Turntrans-87.229.9179-58.9168.5000113.1W443 V447 F450 I483 L497W443-L501 HydrophobicContact CD2-CD2 4.2Å; W443-L501 HydrophobicContact CE3-CD2 4.22Å; W443-L501 HydrophobicContact CH2-CD2 4.37Å; W443-L501 HydrophobicContact CZ2-CD2 4.34Å; W443-L501 VanDerWaalsContact CZ3-C 3.5Å; W443-L501 HydrophobicContact CZ3-CB 4.23Å; W443-L501 HydrophobicContact CZ3-CD2 4.32Å; W443-L501 WeakPolarHBondContact CZ3-O 3.42Å; V447-L501 HydrophobicContact CG2-CD2 3.66Å; F450-L501 HydrophobicContact CB-CD1 4.37Å; F450-L501 HydrophobicContact CD2-CD1 4.39Å; I483-L501 HydrophobicContact CD1-CB 3.72Å; I483-L501 HydrophobicContact CD1-CD1 4.12Å; I483-L501 HydrophobicContact CD1-CD2 4.3Å; I483-L501 HydrophobicContact CD1-CG 4.27Å; I483-L501 HydrophobicContact CG2-CD1 4.19Å; L497-L501 WeakPolarHBondContact O-CB 3.24Å; L497-L501 WeakPolarHBondContact O-CG 3.47Å; L497-L501 PolarHBondContact O-N 2.7Å
502N97.8Very high97Very high56 Ų5647.7 Ų47.730%0.29924%0.243SC..  trans-75.8132.3168.8-162.1-13.9000110.2K498 F500 D504 E507 R508K498-N502 PolarHBondContact O-N 3.32Å; F500-N502 PolarHBondContact O-N 2.99Å; N502-D504 PolarHBondContact OD1-N 3.34Å; N502-E507 VanDerWaalsContact ND2-C 3.35Å; N502-E507 WeakPolarHBondContact ND2-CB 3.41Å; N502-E507 PolarHBondContact ND2-O 2.85Å; N502-R508 HydrophobicContact CB-CB 4.19Å; N502-R508 HydrophobicContact CB-CG 4.45Å; N502-R508 PolarHBondContact O-NE 3.11Å; N502-R508 PolarHBondContact O-NH2 2.76Å
503K96.4Very high96.2Very high50 Ų5050.8 Ų50.822%0.21727%0.269CS..SBendtrans-79.5-23.6-175.8-56.2-162.1-171.9-164.40113.4P428 R432 W443 I478 L479 K481P428-K503 HydrophobicContact CB-CB 4.33Å; P428-K503 HydrophobicContact CG-CB 4.16Å; P428-K503 HydrophobicContact CG-CG 4.18Å; R432-K503 PolarHBondContact NH2-O 3.41Å; R432-K503 VanDerWaalsContact NH2-O 3.09Å; W443-K503 HydrophobicContact CH2-CG 4.28Å; W443-K503 HydrophobicContact CZ3-CG 4.16Å; I478-K503 VanDerWaalsContact O-CE 3.29Å; I478-K503 WeakPolarHBondContact O-CE 3.26Å; I478-K503 PolarHBondContact O-NZ 3.45Å; L479-K503 WeakPolarHBondContact O-CD 3.43Å; L479-K503 PolarHBondContact O-NZ 2.84Å; K481-K503 WeakPolarHBondContact O-CE 3.47Å; K481-K503 PolarHBondContact O-NZ 2.7Å
504D96.3Very high95.3Very high69 Ų6959.6 Ų59.637%0.36931%0.31SS..SBendtrans-84.2118.4164.5-167.6-32.5000108.5N502 K506 E507 R508N502-D504 PolarHBondContact OD1-N 3.34Å; D504-K506 PolarHBondContact O-N 3.01Å; D504-K506 WeakPolarHBondContact OD1-CB 3.35Å; D504-K506 PolarHBondContact OD1-N 3.49Å; D504-E507 HydrophobicContact CB-CB 4.42Å; D504-E507 PolarHBondContact O-N 2.84Å; D504-R508 PolarHBondContact O-N 3.22Å
505P96.1Very high94.8Very high23 Ų2361 Ų6115%0.14932%0.316CS..G310 helixtrans-64.3-20.5177.825.8-34.2000113.8E429 R508 C511E429-P505 HydrophobicContact CB-CG 4.45Å; P505-R508 WeakPolarHBondContact O-CB 3.42Å; P505-C511 WeakPolarHBondContact O-CB 3.4Å
506K94.1Very high94.3Very high160 Ų16058.9 Ų58.970%0.69630%0.302SS*.G310 helixtrans-74.1-33.4179.4-61.6173.1-177.2173.80112.6D504 R508D504-K506 PolarHBondContact O-N 3.01Å; D504-K506 WeakPolarHBondContact OD1-CB 3.35Å; D504-K506 PolarHBondContact OD1-N 3.49Å; K506-R508 VanDerWaalsContact C-N 3.33Å
507E95.7Very high94Very high137 Ų13760.7 Ų60.764%0.6431%0.31SS*.G310 helixtrans-95.911.6179.6-59.9-64144.300111.6N502 D504N502-E507 VanDerWaalsContact ND2-C 3.35Å; N502-E507 WeakPolarHBondContact ND2-CB 3.41Å; N502-E507 PolarHBondContact ND2-O 2.85Å; D504-E507 HydrophobicContact CB-CB 4.42Å; D504-E507 PolarHBondContact O-N 2.84Å
508R97.9Very high93.9Very high3 Ų365 Ų651%0.01134%0.337CS..SBendtrans-89.2138.9-178.9-170.5-179.2-62.3147.59.5111E429 S439 G499 F500 N502 D504 P505 K506 C511E429-R508 IonicContact OE1-CZ 2.82Å; E429-R508 IonicContact OE1-NH1 2.66Å; E429-R508 PolarHBondContact OE1-NH1 3.06Å; E429-R508 IonicContact OE1-NH2 2.73Å; E429-R508 IonicContact OE2-CZ 2.75Å; E429-R508 IonicContact OE2-NH1 2.82Å; E429-R508 PolarHBondContact OE2-NH1 3.22Å; E429-R508 IonicContact OE2-NH2 3.88Å; E429-R508 PolarHBondContact OE2-NH2 3.29Å; S439-R508 PolarHBondContact O-NH1 3.32Å; G499-R508 WeakPolarHBondContact O-CA 3.3Å; G499-R508 WeakPolarHBondContact O-CG 3.36Å; F500-R508 WeakPolarHBondContact O-CD 3.3Å; F500-R508 VanDerWaalsContact O-CG 3.26Å; F500-R508 WeakPolarHBondContact O-CG 3.45Å; F500-R508 PolarHBondContact O-NE 2.84Å; N502-R508 HydrophobicContact CB-CB 4.19Å; N502-R508 HydrophobicContact CB-CG 4.45Å; N502-R508 PolarHBondContact O-NE 3.11Å; N502-R508 PolarHBondContact O-NH2 2.76Å; D504-R508 PolarHBondContact O-N 3.22Å; P505-R508 WeakPolarHBondContact O-CB 3.42Å; K506-R508 VanDerWaalsContact C-N 3.33Å; R508-C511 HydrophobicContact CB-CB 4.22Å; R508-C511 VanDerWaalsContact O-CB 3.3Å; R508-C511 WeakPolarHBondContact O-CB 3.2Å; R508-C511 PolarHBondContact O-N 3.17Å; R508-C511 VanDerWaalsContact O-N 3.08Å
509L98.1Very high93.8Very high25 Ų2560.4 Ų60.413%0.13132%0.319CS..THydrogen-bonded Turntrans-57.8138172.9-174.963000109.9V496 G499 F500 C511 D519 I520V496-L509 HydrophobicContact CG2-CD2 3.85Å; G499-L509 VanDerWaalsContact C-CB 3.49Å; G499-L509 PolarHBondContact O-N 3.48Å; F500-L509 HydrophobicContact CD1-CB 3.92Å; F500-L509 HydrophobicContact CD1-CD2 4.24Å; F500-L509 HydrophobicContact CD1-CG 4.2Å; F500-L509 HydrophobicContact CD2-CD2 4.24Å; F500-L509 HydrophobicContact CE1-CB 4.12Å; F500-L509 HydrophobicContact CE1-CD2 3.99Å; F500-L509 HydrophobicContact CE1-CG 3.91Å; F500-L509 HydrophobicContact CE2-CD2 4Å; F500-L509 HydrophobicContact CG-CB 4.43Å; F500-L509 HydrophobicContact CG-CD2 4.36Å; F500-L509 HydrophobicContact CZ-CD2 3.87Å; F500-L509 HydrophobicContact CZ-CG 4.23Å; L509-C511 VanDerWaalsContact C-N 3.32Å; L509-D519 HydrophobicContact CD1-CB 3.94Å; L509-I520 HydrophobicContact CD1-CG1 4.29Å; L509-I520 HydrophobicContact CD2-CG1 4.49Å; L509-I520 HydrophobicContact CG-CG1 3.92Å
510G95.8Very high93.7Very high11 Ų1159.5 Ų59.511%0.11331%0.31CS..THydrogen-bonded Turntrans88.1-15.4-172.100000115.4W442 G516W442-G510 PolarHBondContact NE1-O 3.06Å; G510-G516 WeakPolarHBondContact CA-O 3.41Å; G510-G516 WeakPolarHBondContact O-CA 3.1Å
511C95Very high93.7Very high29 Ų2962.2 Ų62.220%0.19632%0.322CS..  trans-106.51.9-165.6-54.90000115.3S439 P505 R508 L509 V513S439-C511 VanDerWaalsContact CA-SG 3.57Å; P505-C511 WeakPolarHBondContact O-CB 3.4Å; R508-C511 HydrophobicContact CB-CB 4.22Å; R508-C511 VanDerWaalsContact O-CB 3.3Å; R508-C511 WeakPolarHBondContact O-CB 3.2Å; R508-C511 PolarHBondContact O-N 3.17Å; R508-C511 VanDerWaalsContact O-N 3.08Å; L509-C511 VanDerWaalsContact C-N 3.32Å; C511-V513 PolarHBondContact O-N 3.04Å
512Q89.7Confident93.6Very high111 Ų11165.6 Ų65.652%0.51935%0.346SS..  trans-73.7125.5174.2-64.5-15720.800111.1Q514 T515 G516Q512-Q514 PolarHBondContact O-N 3.17Å; Q512-T515 VanDerWaalsContact CB-OG1 3.31Å; Q512-T515 WeakPolarHBondContact CB-OG1 3.38Å; Q512-T515 PolarHBondContact O-N 3.46Å; Q512-T515 PolarHBondContact OE1-OG1 2.78Å; Q512-G516 WeakPolarHBondContact O-CA 3.4Å; Q512-G516 PolarHBondContact O-N 3.41Å
513V81.4Confident93.6Very high148 Ų14864.3 Ų64.390%0.89734%0.338SS*.THydrogen-bonded Turntrans-57.8-27.7-168.4-178.60000114.5C511C511-V513 PolarHBondContact O-N 3.04Å
514Q80.3Confident93.7Very high186 Ų18665.7 Ų65.787%0.86935%0.351SS*.THydrogen-bonded Turntrans-106.4-14.9-178.2-66.7-175.2-13.900114.3Q512Q512-Q514 PolarHBondContact O-N 3.17Å
515T86.9Confident93.8Very high49 Ų4962.4 Ų62.430%0.30133%0.334SS..THydrogen-bonded Turntrans-138.6-5.5-165.653.20000114.5Q512 F517 T518 D519Q512-T515 VanDerWaalsContact CB-OG1 3.31Å; Q512-T515 WeakPolarHBondContact CB-OG1 3.38Å; Q512-T515 PolarHBondContact O-N 3.46Å; Q512-T515 PolarHBondContact OE1-OG1 2.78Å; T515-F517 PolarHBondContact O-N 2.9Å; T515-F517 VanDerWaalsContact O-N 3.14Å; T515-T518 CarbonylContact O-C 3.59Å; T515-T518 VanDerWaalsContact O-CA 3.3Å; T515-T518 WeakPolarHBondContact O-CA 3.25Å; T515-T518 VanDerWaalsContact O-CB 3.25Å; T515-T518 WeakPolarHBondContact O-CB 3.19Å; T515-T518 PolarHBondContact O-N 2.84Å; T515-D519 VanDerWaalsContact CB-OD2 3.26Å; T515-D519 WeakPolarHBondContact CB-OD2 3.45Å; T515-D519 VanDerWaalsContact O-CG 3.32Å; T515-D519 PolarHBondContact O-N 3.38Å; T515-D519 PolarHBondContact OG1-OD2 3.18Å
516G87.9Confident93.9Very high7 Ų761.3 Ų61.37%0.07233%0.327CS..Hα-helixtrans-46.2-52.6-164.700000115.9G510 Q512 D519 I520G510-G516 WeakPolarHBondContact CA-O 3.41Å; G510-G516 WeakPolarHBondContact O-CA 3.1Å; Q512-G516 WeakPolarHBondContact O-CA 3.4Å; Q512-G516 PolarHBondContact O-N 3.41Å; G516-D519 PolarHBondContact O-N 3.38Å; G516-I520 PolarHBondContact O-N 2.98Å
517F93.5Very high94Very high38 Ų3863.5 Ų63.517%0.16733%0.33CS..Hα-helixtrans-71.7-33.6177.7-171-137.1000113C369 I370 N373 W442 T515 D519 I520 K521C369-F517 HydrophobicContact CB-CE2 4.11Å; C369-F517 WeakPolarHBondContact O-CE2 3.34Å; I370-F517 HydrophobicContact CG1-CZ 4.47Å; N373-F517 HydrophobicContact CB-CD1 3.98Å; N373-F517 HydrophobicContact CB-CD2 3.82Å; N373-F517 HydrophobicContact CB-CE1 3.78Å; N373-F517 HydrophobicContact CB-CE2 3.63Å; N373-F517 HydrophobicContact CB-CG 4Å; N373-F517 HydrophobicContact CB-CZ 3.6Å; N373-F517 VanDerWaalsContact CG-CE1 3.4Å; N373-F517 WeakPolarHBondContact ND2-CD1 3.28Å; N373-F517 WeakPolarHBondContact ND2-CE1 3.34Å; N373-F517 VanDerWaalsContact OD1-CB 3.31Å; N373-F517 WeakPolarHBondContact OD1-CB 3.4Å; N373-F517 WeakPolarHBondContact OD1-CD1 3.48Å; N373-F517 WeakPolarHBondContact OD1-CG 3.36Å; W442-F517 HydrophobicContact CH2-CD2 4.41Å; T515-F517 PolarHBondContact O-N 2.9Å; T515-F517 VanDerWaalsContact O-N 3.14Å; F517-D519 VanDerWaalsContact C-N 3.33Å; F517-D519 PolarHBondContact O-N 3Å; F517-I520 HydrophobicContact CD2-CD1 4.43Å; F517-I520 WeakPolarHBondContact O-CB 3.4Å; F517-I520 PolarHBondContact O-N 3.41Å; F517-K521 HydrophobicContact CE1-CD 4.32Å; F517-K521 VanDerWaalsContact CE1-CE 3.41Å; F517-K521 HydrophobicContact CE2-CG 4.49Å; F517-K521 VanDerWaalsContact CZ-CE 3.5Å; F517-K521 HydrophobicContact CZ-CG 4.49Å; F517-K521 WeakPolarHBondContact O-CG 3.43Å; F517-K521 PolarHBondContact O-N 3.18Å
518T95.2Very high93.9Very high92 Ų9262.1 Ų62.156%0.56433%0.327SS*.Hα-helixtrans-64.5-36.2172.2-50.40000112T515 I520 K521 S522T515-T518 CarbonylContact O-C 3.59Å; T515-T518 VanDerWaalsContact O-CA 3.3Å; T515-T518 WeakPolarHBondContact O-CA 3.25Å; T515-T518 VanDerWaalsContact O-CB 3.25Å; T515-T518 WeakPolarHBondContact O-CB 3.19Å; T515-T518 PolarHBondContact O-N 2.84Å; T518-I520 VanDerWaalsContact C-N 3.33Å; T518-K521 PolarHBondContact O-N 3.09Å; T518-S522 VanDerWaalsContact O-CB 3.28Å; T518-S522 WeakPolarHBondContact O-CB 3.29Å; T518-S522 PolarHBondContact O-N 3.37Å; T518-S522 PolarHBondContact O-OG 3.17Å
519D95.9Very high93.9Very high43 Ų4362.9 Ų62.923%0.2333%0.331CS..Hα-helixtrans-67-35.9175-61.4-36000111L509 T515 G516 F517 S522 H523L509-D519 HydrophobicContact CD1-CB 3.94Å; T515-D519 VanDerWaalsContact CB-OD2 3.26Å; T515-D519 WeakPolarHBondContact CB-OD2 3.45Å; T515-D519 VanDerWaalsContact O-CG 3.32Å; T515-D519 PolarHBondContact O-N 3.38Å; T515-D519 PolarHBondContact OG1-OD2 3.18Å; G516-D519 PolarHBondContact O-N 3.38Å; F517-D519 VanDerWaalsContact C-N 3.33Å; F517-D519 PolarHBondContact O-N 3Å; D519-S522 PolarHBondContact O-OG 2.81Å; D519-H523 WeakPolarHBondContact O-CB 3.44Å; D519-H523 PolarHBondContact O-N 2.91Å; D519-H523 VanDerWaalsContact O-N 3.15Å
520I97.8Very high93.9Very high0 Ų064.9 Ų64.90%034%0.342CS..Hα-helixtrans-64.9-55.7169.2-65.7168.7000110.2C369 W442 F500 L509 G516 F517 T518 S522 H523 F526 W531C369-I520 HydrophobicContact CB-CG2 4.32Å; W442-I520 HydrophobicContact CD2-CD1 3.89Å; W442-I520 HydrophobicContact CE3-CD1 3.58Å; W442-I520 HydrophobicContact CH2-CD1 3.67Å; W442-I520 HydrophobicContact CZ2-CD1 3.93Å; W442-I520 HydrophobicContact CZ3-CD1 3.47Å; W442-I520 VanDerWaalsContact CZ3-CD1 3.47Å; F500-I520 HydrophobicContact CE1-CD1 3.81Å; F500-I520 HydrophobicContact CE1-CG1 3.91Å; F500-I520 HydrophobicContact CZ-CD1 4.01Å; F500-I520 HydrophobicContact CZ-CG1 3.89Å; F500-I520 HydrophobicContact CZ-CG2 4.28Å; L509-I520 HydrophobicContact CD1-CG1 4.29Å; L509-I520 HydrophobicContact CD2-CG1 4.49Å; L509-I520 HydrophobicContact CG-CG1 3.92Å; G516-I520 PolarHBondContact O-N 2.98Å; F517-I520 HydrophobicContact CD2-CD1 4.43Å; F517-I520 WeakPolarHBondContact O-CB 3.4Å; F517-I520 PolarHBondContact O-N 3.41Å; T518-I520 VanDerWaalsContact C-N 3.33Å; I520-S522 PolarHBondContact O-N 3.33Å; I520-H523 PolarHBondContact O-N 3.25Å; I520-H523 VanDerWaalsContact O-N 3.08Å; I520-F526 HydrophobicContact CG2-CD2 4.19Å; I520-F526 HydrophobicContact CG2-CE2 3.92Å; I520-F526 WeakPolarHBondContact O-CD2 3.36Å; I520-W531 HydrophobicContact CG2-CH2 4.14Å
521K97.6Very high94Very high57 Ų5765.3 Ų65.325%0.24834%0.341CS..Hα-helixtrans-56.5-35.3-177.1-73.1-159.5168.5-178.30112.7F517 T518 W531F517-K521 HydrophobicContact CE1-CD 4.32Å; F517-K521 VanDerWaalsContact CE1-CE 3.41Å; F517-K521 HydrophobicContact CE2-CG 4.49Å; F517-K521 VanDerWaalsContact CZ-CE 3.5Å; F517-K521 HydrophobicContact CZ-CG 4.49Å; F517-K521 WeakPolarHBondContact O-CG 3.43Å; F517-K521 PolarHBondContact O-N 3.18Å; T518-K521 PolarHBondContact O-N 3.09Å; K521-W531 HydrophobicContact CB-CD2 4.38Å; K521-W531 HydrophobicContact CB-CZ2 4.25Å; K521-W531 HydrophobicContact CD-CB 4.12Å; K521-W531 HydrophobicContact CD-CD2 3.87Å; K521-W531 HydrophobicContact CD-CE3 4.31Å; K521-W531 HydrophobicContact CD-CG 3.76Å; K521-W531 HydrophobicContact CG-CD2 3.67Å; K521-W531 HydrophobicContact CG-CE3 4.09Å; K521-W531 HydrophobicContact CG-CG 4.01Å; K521-W531 HydrophobicContact CG-CH2 4.36Å; K521-W531 HydrophobicContact CG-CZ2 3.99Å; K521-W531 HydrophobicContact CG-CZ3 4.4Å; K521-W531 PolarHBondContact O-NE1 3.38Å
522S96.9Very high94.1Very high83 Ų8369 Ų6958%0.5836%0.358SS*.Hα-helixtrans-89.2-10.5-179.964.40000115.3T518 D519 I520 T524T518-S522 VanDerWaalsContact O-CB 3.28Å; T518-S522 WeakPolarHBondContact O-CB 3.29Å; T518-S522 PolarHBondContact O-N 3.37Å; T518-S522 PolarHBondContact O-OG 3.17Å; D519-S522 PolarHBondContact O-OG 2.81Å; I520-S522 PolarHBondContact O-N 3.33Å; S522-T524 PolarHBondContact O-N 3.48Å
523H98.3Very high94.4Very high29 Ų2967.6 Ų67.613%0.13435%0.352CS..SBendtrans-62.2137.5-177-176.3-89000111.9S495 V496 D519 I520 F525 F526 R527S495-H523 PolarHBondContact OG-NE2 2.85Å; V496-H523 VanDerWaalsContact CB-CE1 3.47Å; V496-H523 WeakPolarHBondContact CB-CE1 3.14Å; V496-H523 PolarHBondContact N-CE1 2.7Å; V496-H523 VanDerWaalsContact N-CE1 3.33Å; D519-H523 WeakPolarHBondContact O-CB 3.44Å; D519-H523 PolarHBondContact O-N 2.91Å; D519-H523 VanDerWaalsContact O-N 3.15Å; I520-H523 PolarHBondContact O-N 3.25Å; I520-H523 VanDerWaalsContact O-N 3.08Å; H523-F525 WeakPolarHBondContact ND1-CB 3.4Å; H523-F525 PolarHBondContact ND1-N 2.8Å; H523-F525 PolarHBondContact O-N 2.69Å; H523-F526 HydrophobicContact CB-CD2 4.38Å; H523-F526 PolarHBondContact O-N 2.94Å; H523-R527 PolarHBondContact O-N 3.35Å
524T97.9Very high95.2Very high79 Ų7960.6 Ų60.649%0.48531%0.309SS..THydrogen-bonded Turntrans-57.6-17.7-170.865.10000116.1K492 S522K492-T524 WeakPolarHBondContact CD-O 3.37Å; S522-T524 PolarHBondContact O-N 3.48Å
525F98.6Very high95.9Very high1 Ų156 Ų560%0.00429%0.288CS..THydrogen-bonded Turntrans-71.3-40.6171.2-177.9-103.9000112.6E358 R362 M449 M453 K492 A493 V496 H523E358-F525 HydrophobicContact CB-CE2 4.34Å; R362-F525 HydrophobicContact CB-CD1 4.39Å; R362-F525 HydrophobicContact CB-CE1 3.6Å; R362-F525 HydrophobicContact CB-CZ 3.74Å; R362-F525 VanDerWaalsContact CD-O 3.24Å; R362-F525 WeakPolarHBondContact CD-O 3.29Å; R362-F525 HydrophobicContact CG-CD1 4.08Å; R362-F525 HydrophobicContact CG-CE1 3.77Å; R362-F525 HydrophobicContact CG-CZ 4.31Å; R362-F525 PolarHBondContact NE-O 3.47Å; M449-F525 HydrophobicContact CE-CD1 3.9Å; M449-F525 HydrophobicContact CE-CE1 3.34Å; M449-F525 HydrophobicContact CE-CZ 4.01Å; M453-F525 HydrophobicContact CE-CZ 4.28Å; M453-F525 HydrophobicContact SD-CE2 4.12Å; M453-F525 HydrophobicContact SD-CZ 4.02Å; K492-F525 HydrophobicContact CB-CB 4.28Å; K492-F525 HydrophobicContact CB-CD2 4.13Å; A493-F525 HydrophobicContact CB-CD2 4.23Å; A493-F525 HydrophobicContact CB-CE2 3.96Å; V496-F525 HydrophobicContact CB-CB 3.86Å; V496-F525 HydrophobicContact CB-CD1 4.29Å; V496-F525 HydrophobicContact CB-CG 4.1Å; V496-F525 HydrophobicContact CG1-CB 4.05Å; V496-F525 HydrophobicContact CG1-CD1 3.81Å; V496-F525 HydrophobicContact CG1-CD2 4.1Å; V496-F525 HydrophobicContact CG1-CE1 4.23Å; V496-F525 HydrophobicContact CG1-CG 3.72Å; V496-F525 HydrophobicContact CG2-CB 4.3Å; V496-F525 HydrophobicContact CG2-CD1 4.31Å; H523-F525 WeakPolarHBondContact ND1-CB 3.4Å; H523-F525 PolarHBondContact ND1-N 2.8Å; H523-F525 PolarHBondContact O-N 2.69Å
526F98.4Very high96.3Very high0 Ų059.8 Ų59.80%030%0.3CS..THydrogen-bonded Turntrans-87.7-0.7-178.1-64.9-71.6000114.2R362 A365 A366 M449 V496 F500 I520 H523 N528 I529 W531R362-F526 HydrophobicContact CG-CD1 3.75Å; R362-F526 HydrophobicContact CG-CE1 4.19Å; A365-F526 HydrophobicContact CB-CE1 3.99Å; A365-F526 HydrophobicContact CB-CZ 4.11Å; A366-F526 HydrophobicContact CB-CD1 4.1Å; A366-F526 HydrophobicContact CB-CE1 4.12Å; M449-F526 HydrophobicContact CE-CZ 4.06Å; M449-F526 HydrophobicContact SD-CZ 4.42Å; V496-F526 HydrophobicContact CG2-CE2 3.81Å; V496-F526 HydrophobicContact CG2-CZ 4.48Å; F500-F526 HydrophobicContact CE2-CE2 4.27Å; F500-F526 HydrophobicContact CE2-CZ 4.45Å; I520-F526 HydrophobicContact CG2-CD2 4.19Å; I520-F526 HydrophobicContact CG2-CE2 3.92Å; I520-F526 WeakPolarHBondContact O-CD2 3.36Å; H523-F526 HydrophobicContact CB-CD2 4.38Å; H523-F526 PolarHBondContact O-N 2.94Å; F526-N528 PolarHBondContact O-N 2.79Å; F526-I529 HydrophobicContact CD1-CG1 4.33Å; F526-I529 WeakPolarHBondContact O-CB 3.3Å; F526-I529 PolarHBondContact O-N 2.72Å; F526-W531 HydrophobicContact CB-CZ2 3.74Å; F526-W531 HydrophobicContact CD1-CH2 4.23Å; F526-W531 HydrophobicContact CD1-CZ2 4.05Å; F526-W531 HydrophobicContact CD2-CZ2 4.41Å; F526-W531 HydrophobicContact CG-CH2 4.34Å; F526-W531 AromaticContact CG-CZ2 3.84Å; F526-W531 HydrophobicContact CG-CZ2 3.84Å
527R95.7Very high96.6Very high205 Ų20562 Ų6277%0.77431%0.308SS*.THydrogen-bonded Turntrans-47.4-23-178.1176172.9174.3-173.5-1.8116.3H523H523-R527 PolarHBondContact O-N 3.35Å
528N93.9Very high96.8Very high108 Ų10865.4 Ų65.458%0.57832%0.324SS*.THydrogen-bonded Turntrans-98.86.7-179.2-67.227000113.5F526F526-N528 PolarHBondContact O-N 2.79Å
529I97.9Very high96.8Very high19 Ų1963.1 Ų63.110%0.09731%0.307CS..  trans-93.5127.3173.4-59.4-59.2000108.6R362 A366 F526 W531 L534 M539R362-I529 HydrophobicContact CG-CD1 4.03Å; R362-I529 HydrophobicContact CG-CG1 3.95Å; A366-I529 HydrophobicContact CB-CD1 4.31Å; A366-I529 HydrophobicContact CB-CG1 4.02Å; A366-I529 HydrophobicContact CB-CG2 4.09Å; F526-I529 HydrophobicContact CD1-CG1 4.33Å; F526-I529 WeakPolarHBondContact O-CB 3.3Å; F526-I529 PolarHBondContact O-N 2.72Å; I529-W531 HydrophobicContact CG2-CD2 3.94Å; I529-W531 HydrophobicContact CG2-CE3 4.41Å; I529-W531 HydrophobicContact CG2-CG 4.11Å; I529-L534 HydrophobicContact CG2-CB 4.33Å; I529-L534 HydrophobicContact CG2-CD2 3.76Å; I529-M539 HydrophobicContact CG2-SD 4.49Å
530D97.6Very high96.8Very high67 Ų6767.4 Ų67.436%0.35834%0.335SS..  trans-88106.3160.4-174-45000107D532 Q533 L534 M539D530-D532 VanDerWaalsContact C-N 3.28Å; D530-D532 PolarHBondContact O-N 3.01Å; D530-D532 PolarHBondContact OD1-N 3.06Å; D530-D532 VanDerWaalsContact OD1-N 3.1Å; D530-Q533 HydrophobicContact CB-CB 4.07Å; D530-Q533 HydrophobicContact CB-CG 4.28Å; D530-Q533 VanDerWaalsContact CG-NE2 3.26Å; D530-Q533 PolarHBondContact OD1-N 2.87Å; D530-Q533 PolarHBondContact OD2-NE2 3.3Å; D530-L534 VanDerWaalsContact O-CB 3.28Å; D530-L534 WeakPolarHBondContact O-CB 3.43Å; D530-L534 PolarHBondContact O-N 2.81Å; D530-M539 HydrophobicContact CB-SD 4.24Å
531W97.4Very high96.8Very high21 Ų2168.1 Ų68.18%0.0834%0.341CS..Hα-helixtrans-69-29.6-173-67.591000112.5A366 C369 I370 I520 K521 F526 I529 E535A366-W531 HydrophobicContact CB-CE3 4.49Å; A366-W531 HydrophobicContact CB-CH2 3.76Å; A366-W531 HydrophobicContact CB-CZ2 4.4Å; A366-W531 HydrophobicContact CB-CZ3 3.81Å; A366-W531 WeakPolarHBondContact O-CZ3 3.26Å; C369-W531 HydrophobicContact CB-CH2 4.06Å; C369-W531 HydrophobicContact CB-CZ3 3.97Å; I370-W531 HydrophobicContact CD1-CE3 4.1Å; I370-W531 HydrophobicContact CD1-CZ3 4.49Å; I370-W531 HydrophobicContact CG1-CE3 4Å; I370-W531 HydrophobicContact CG1-CZ3 4.12Å; I520-W531 HydrophobicContact CG2-CH2 4.14Å; K521-W531 HydrophobicContact CB-CD2 4.38Å; K521-W531 HydrophobicContact CB-CZ2 4.25Å; K521-W531 HydrophobicContact CD-CB 4.12Å; K521-W531 HydrophobicContact CD-CD2 3.87Å; K521-W531 HydrophobicContact CD-CE3 4.31Å; K521-W531 HydrophobicContact CD-CG 3.76Å; K521-W531 HydrophobicContact CG-CD2 3.67Å; K521-W531 HydrophobicContact CG-CE3 4.09Å; K521-W531 HydrophobicContact CG-CG 4.01Å; K521-W531 HydrophobicContact CG-CH2 4.36Å; K521-W531 HydrophobicContact CG-CZ2 3.99Å; K521-W531 HydrophobicContact CG-CZ3 4.4Å; K521-W531 PolarHBondContact O-NE1 3.38Å; F526-W531 HydrophobicContact CB-CZ2 3.74Å; F526-W531 HydrophobicContact CD1-CH2 4.23Å; F526-W531 HydrophobicContact CD1-CZ2 4.05Å; F526-W531 HydrophobicContact CD2-CZ2 4.41Å; F526-W531 HydrophobicContact CG-CH2 4.34Å; F526-W531 AromaticContact CG-CZ2 3.84Å; F526-W531 HydrophobicContact CG-CZ2 3.84Å; I529-W531 HydrophobicContact CG2-CD2 3.94Å; I529-W531 HydrophobicContact CG2-CE3 4.41Å; I529-W531 HydrophobicContact CG2-CG 4.11Å; W531-E535 VanDerWaalsContact O-CB 3.31Å; W531-E535 WeakPolarHBondContact O-CB 3.43Å; W531-E535 PolarHBondContact O-N 3.12Å
532D96.5Very high96.7Very high106 Ų10667.5 Ų67.557%0.56734%0.343SS*.Hα-helixtrans-82.4-29.7-175.7-57.6-3.8000110.6D530 K536D530-D532 VanDerWaalsContact C-N 3.28Å; D530-D532 PolarHBondContact O-N 3.01Å; D530-D532 PolarHBondContact OD1-N 3.06Å; D530-D532 VanDerWaalsContact OD1-N 3.1Å; D532-K536 WeakPolarHBondContact O-CE 3.3Å; D532-K536 WeakPolarHBondContact O-CG 3.32Å; D532-K536 PolarHBondContact O-NZ 2.88Å
533Q97.4Very high96.5Very high82 Ų8266.7 Ų66.738%0.38333%0.329SS..Hα-helixtrans-74.6-39.6166.8-70.6-178.165.600111.7D530 K536 K537 E538 M539D530-Q533 HydrophobicContact CB-CB 4.07Å; D530-Q533 HydrophobicContact CB-CG 4.28Å; D530-Q533 VanDerWaalsContact CG-NE2 3.26Å; D530-Q533 PolarHBondContact OD1-N 2.87Å; D530-Q533 PolarHBondContact OD2-NE2 3.3Å; Q533-K536 PolarHBondContact O-N 3.42Å; Q533-K537 PolarHBondContact O-N 3.37Å; Q533-E538 WeakPolarHBondContact CA-OE2 3.26Å; Q533-E538 HydrophobicContact CB-CB 3.99Å; Q533-E538 HydrophobicContact CG-CB 4.37Å; Q533-E538 WeakPolarHBondContact O-CB 3.34Å; Q533-E538 PolarHBondContact O-N 3.22Å; Q533-M539 HydrophobicContact CB-CG 3.82Å
534L96.8Very high96.3Very high0 Ų070.6 Ų70.60%035%0.346CS..Hα-helixtrans-63.2-46.7178.9-171.165.6000111.3F320 F363 A366 E367 I370 I529 D530 K536 K537 M539F320-L534 HydrophobicContact CZ-CG 4.39Å; F320-L534 VanDerWaalsContact CZ-O 3.27Å; F320-L534 WeakPolarHBondContact CZ-O 3.39Å; F363-L534 HydrophobicContact CD2-CD1 4.23Å; F363-L534 HydrophobicContact CE1-CD1 4.43Å; F363-L534 HydrophobicContact CE2-CD1 3.63Å; F363-L534 HydrophobicContact CZ-CD1 3.74Å; A366-L534 HydrophobicContact CB-CD2 3.45Å; A366-L534 VanDerWaalsContact CB-CD2 3.45Å; E367-L534 HydrophobicContact CG-CD1 3.76Å; E367-L534 HydrophobicContact CG-CD2 3.94Å; E367-L534 HydrophobicContact CG-CG 3.97Å; I370-L534 HydrophobicContact CD1-CB 4.29Å; I370-L534 HydrophobicContact CD1-CD2 3.94Å; I370-L534 HydrophobicContact CD1-CG 4.04Å; I529-L534 HydrophobicContact CG2-CB 4.33Å; I529-L534 HydrophobicContact CG2-CD2 3.76Å; D530-L534 VanDerWaalsContact O-CB 3.28Å; D530-L534 WeakPolarHBondContact O-CB 3.43Å; D530-L534 PolarHBondContact O-N 2.81Å; L534-K536 PolarHBondContact O-N 2.96Å; L534-K536 VanDerWaalsContact O-N 3.09Å; L534-K537 PolarHBondContact O-N 2.99Å; L534-M539 HydrophobicContact CB-SD 4.06Å; L534-M539 HydrophobicContact CD1-CB 4.14Å; L534-M539 HydrophobicContact CD1-SD 4.34Å
535E95.2Very high95.9Very high91 Ų9167.3 Ų67.343%0.42533%0.326SS..THydrogen-bonded Turntrans-58.6-23.8178.9-172.7158.4-148.300113.7I370 W531I370-E535 HydrophobicContact CD1-CB 4.13Å; I370-E535 HydrophobicContact CG2-CG 4.21Å; W531-E535 VanDerWaalsContact O-CB 3.31Å; W531-E535 WeakPolarHBondContact O-CB 3.43Å; W531-E535 PolarHBondContact O-N 3.12Å
536K95.2Very high95.4Very high128 Ų12874.2 Ų74.256%0.55736%0.358SS*.THydrogen-bonded Turntrans-94.62.3175.1-59.6-168.2-135.684.60114.7D532 Q533 L534 E538D532-K536 WeakPolarHBondContact O-CE 3.3Å; D532-K536 WeakPolarHBondContact O-CG 3.32Å; D532-K536 PolarHBondContact O-NZ 2.88Å; Q533-K536 PolarHBondContact O-N 3.42Å; L534-K536 PolarHBondContact O-N 2.96Å; L534-K536 VanDerWaalsContact O-N 3.09Å; K536-E538 HydrophobicContact CB-CG 3.76Å; K536-E538 IonicContact NZ-OE1 2.68Å; K536-E538 IonicContact NZ-OE2 3.35Å; K536-E538 PolarHBondContact NZ-OE2 3.1Å; K536-E538 PolarHBondContact O-N 2.69Å
537K95.8Very high94.8Very high53 Ų5377.2 Ų77.223%0.2337%0.374CS..THydrogen-bonded Turntrans5529-166.8-65.8-172.3169.9-179.50114P319 F320 D393 H397 Q533 L534 M539P319-K537 HydrophobicContact CB-CD 4.38Å; P319-K537 WeakPolarHBondContact O-CE 3.34Å; P319-K537 PolarHBondContact O-NZ 3.21Å; F320-K537 HydrophobicContact CE1-CD 4.34Å; F320-K537 VanDerWaalsContact CE1-CE 3.47Å; F320-K537 HydrophobicContact CE1-CG 3.91Å; F320-K537 HydrophobicContact CZ-CG 4.12Å; D393-K537 IonicContact OD2-NZ 3.27Å; D393-K537 PolarHBondContact OD2-NZ 2.81Å; H397-K537 HydrophobicContact CB-CD 4.12Å; H397-K537 VanDerWaalsContact CB-CE 3.47Å; Q533-K537 PolarHBondContact O-N 3.37Å; L534-K537 PolarHBondContact O-N 2.99Å; K537-M539 VanDerWaalsContact C-N 3.34Å
538E96.3Very high94.1Very high110 Ų11072.7 Ų72.751%0.51437%0.373SS..  trans-76.6-20.9174.8-67.2169.715300112.1Q533 K536Q533-E538 WeakPolarHBondContact CA-OE2 3.26Å; Q533-E538 HydrophobicContact CB-CB 3.99Å; Q533-E538 HydrophobicContact CG-CB 4.37Å; Q533-E538 WeakPolarHBondContact O-CB 3.34Å; Q533-E538 PolarHBondContact O-N 3.22Å; K536-E538 HydrophobicContact CB-CG 3.76Å; K536-E538 IonicContact NZ-OE1 2.68Å; K536-E538 IonicContact NZ-OE2 3.35Å; K536-E538 PolarHBondContact NZ-OE2 3.1Å; K536-E538 PolarHBondContact O-N 2.69Å
539M96.6Very high93.4Very high43 Ų4371 Ų7121%0.21236%0.364CS..SBendtrans-85.6121.2174.9-67.9-168.265.900112.2F363 H397 I529 D530 Q533 L534 K537 A541F363-M539 HydrophobicContact CE2-CB 4Å; H397-M539 PolarHBondContact CE1-O 2.87Å; H397-M539 VanDerWaalsContact CE1-O 3.23Å; I529-M539 HydrophobicContact CG2-SD 4.49Å; D530-M539 HydrophobicContact CB-SD 4.24Å; Q533-M539 HydrophobicContact CB-CG 3.82Å; L534-M539 HydrophobicContact CB-SD 4.06Å; L534-M539 HydrophobicContact CD1-CB 4.14Å; L534-M539 HydrophobicContact CD1-SD 4.34Å; K537-M539 VanDerWaalsContact C-N 3.34Å; M539-A541 PolarHBondContact O-N 3.49Å
540T96Very high92.6Very high133 Ų13376.8 Ų76.882%0.81639%0.391SS*.PPolyproline II helixtrans-61.4129.6178.3-45.30000113.1
541A96.4Very high92.1Very high15 Ų1575.2 Ų75.212%0.12438%0.38CS..PPolyproline II helixtrans-61.9146.1176.800000113.5F363 G396 M539 F543F363-A541 HydrophobicContact CE1-CB 3.96Å; F363-A541 HydrophobicContact CZ-CB 4.09Å; G396-A541 VanDerWaalsContact C-CB 3.49Å; G396-A541 WeakPolarHBondContact O-CB 3.44Å; M539-A541 PolarHBondContact O-N 3.49Å; A541-F543 VanDerWaalsContact C-N 3.3Å; A541-F543 PolarHBondContact O-N 2.87Å
542P95Very high91.5Very high44 Ų4474.2 Ų74.229%0.28638%0.376SS..SBendtrans-80.1-9.1-172.334.9-39.4000113.8H360 F363 Y364H360-P542 HydrophobicContact CB-CB 4.36Å; H360-P542 HydrophobicContact CB-CG 4.15Å; H360-P542 PolarHBondContact CE1-O 3.47Å; F363-P542 HydrophobicContact CB-CG 4.01Å; F363-P542 HydrophobicContact CD1-CG 4.05Å; F363-P542 HydrophobicContact CG-CG 4.05Å; Y364-P542 HydrophobicContact CE1-CG 4.07Å
543F93.5Very high91.1Very high66 Ų6670.3 Ų70.329%0.28936%0.355SS..  trans-149.7123.2172.4161.2-95.4000108.1H349 L392 G396 A541 P545H349-F543 AromaticContact CE1-CE1 3.69Å; H349-F543 AromaticContact ND1-CE1 3.75Å; L392-F543 HydrophobicContact CD1-CD1 3.92Å; L392-F543 HydrophobicContact CD1-CE1 4.19Å; G396-F543 WeakPolarHBondContact CA-O 3.33Å; A541-F543 VanDerWaalsContact C-N 3.3Å; A541-F543 PolarHBondContact O-N 2.87Å; F543-P545 HydrophobicContact CE1-CB 4.34Å; F543-P545 HydrophobicContact CE1-CG 3.98Å
544K93.1Very high90.6Very high112 Ų11269.4 Ų69.449%0.48735%0.351SS..PPolyproline II helixtrans-96.3123.3172.4-173.1150.6-178.7148.10108.7H394 E395H394-K544 WeakPolarHBondContact O-CE 3.44Å; E395-K544 WeakPolarHBondContact O-CG 3.02Å; E395-K544 IonicContact OE1-NZ 3.58Å; E395-K544 PolarHBondContact OE1-NZ 3.34Å
545P90.8Very high90.1Very high10 Ų1069.6 Ų69.67%0.06535%0.352CS..PPolyproline II helixtrans-55.6153176.6-28.636.9000113L392 D393 F543L392-P545 HydrophobicContact CB-CG 4.11Å; L392-P545 HydrophobicContact CD1-CG 4.38Å; D393-P545 WeakPolarHBondContact O-CG 3.14Å; F543-P545 HydrophobicContact CE1-CB 4.34Å; F543-P545 HydrophobicContact CE1-CG 3.98Å
546Q87.4Confident89.6Confident146 Ų14666.6 Ų66.668%0.68234%0.338SS*.PPolyproline II helixtrans-92.7127.5171.3-69.9-175.7-26.300108.7N555Q546-N555 PolarHBondContact O-ND2 2.86Å
547I86.9Confident89Confident63 Ų6363.6 Ų63.632%0.32333%0.328SS..  trans-129.6114.8178.1-67.3157.9000105.4H394H394-I547 HydrophobicContact CB-CD1 3.61Å
548S81Confident88.5Confident109 Ų10965.5 Ų65.576%0.76234%0.344SS*.  trans-120.7-15.7-173.366.30000114.7E554S548-E554 VanDerWaalsContact CB-OE1 3.27Å; S548-E554 WeakPolarHBondContact CB-OE1 3.49Å; S548-E554 PolarHBondContact N-OE1 3.23Å; S548-E554 PolarHBondContact OG-OE1 3.23Å
549D79.6Confident88Confident74 Ų7466.2 Ų66.240%0.39635%0.347SS..SBendtrans-105.6179.2164.878.122.7000112.4Y551 G552 L553D549-Y551 PolarHBondContact O-N 2.89Å; D549-Y551 VanDerWaalsContact O-N 3.11Å; D549-Y551 WeakPolarHBondContact OD1-CA 3.5Å; D549-Y551 PolarHBondContact OD1-N 3.18Å; D549-G552 PolarHBondContact OD1-N 3.28Å; D549-L553 PolarHBondContact OD1-N 3.17Å
550E80.8Confident87.5Confident139 Ų13966 Ų6665%0.6535%0.345SS*.SBendtrans-59.8-18.3-178.2-175.5-176.6-178.500113.5R278R278-E550 IonicContact CZ-OE1 3.44Å; R278-E550 IonicContact NH2-OE1 2.73Å; R278-E550 PolarHBondContact NH2-OE1 3.48Å
551Y86.3Confident87.2Confident34 Ų3460.5 Ų60.513%0.13331%0.312CS..SBendtrans-123.9-25.8-168.3-58.5-73000113.7I263 L276 R278 V285 Y340 N342 D549 L553I263-Y551 HydrophobicContact CD1-CE1 3.83Å; I263-Y551 HydrophobicContact CG2-CE1 4.16Å; I263-Y551 HydrophobicContact CG2-CE2 4.23Å; L276-Y551 HydrophobicContact CD2-CD1 3.68Å; L276-Y551 HydrophobicContact CD2-CE1 4.43Å; L276-Y551 HydrophobicContact CD2-CG 3.86Å; R278-Y551 PolarHBondContact NH2-OH 2.88Å; V285-Y551 HydrophobicContact CG1-CD1 4.42Å; V285-Y551 HydrophobicContact CG2-CE1 4.21Å; Y340-Y551 VanDerWaalsContact CE1-O 3.32Å; Y340-Y551 WeakPolarHBondContact CE1-O 3.4Å; Y340-Y551 PolarHBondContact OH-O 3.5Å; Y340-Y551 VanDerWaalsContact OH-O 3.09Å; N342-Y551 WeakPolarHBondContact CB-O 3.44Å; N342-Y551 PolarHBondContact ND2-O 3.29Å; D549-Y551 PolarHBondContact O-N 2.89Å; D549-Y551 VanDerWaalsContact O-N 3.11Å; D549-Y551 WeakPolarHBondContact OD1-CA 3.5Å; D549-Y551 PolarHBondContact OD1-N 3.18Å; Y551-L553 HydrophobicContact CD2-CD1 4.39Å
552G85.4Confident86.8Confident0 Ų066 Ų660%034%0.339CS..  trans83.628.7-171.700000113.5D549 E554 N555D549-G552 PolarHBondContact OD1-N 3.28Å; G552-E554 VanDerWaalsContact CA-OE2 3.32Å; G552-E554 WeakPolarHBondContact CA-OE2 3.24Å; G552-E554 PolarHBondContact O-N 3.26Å; G552-E554 VanDerWaalsContact O-N 3.17Å; G552-N555 PolarHBondContact O-N 2.97Å; G552-N555 VanDerWaalsContact O-N 3.14Å
553L87.8Confident86.6Confident24 Ų2466 Ų6613%0.12634%0.335CS..G310 helixtrans-67-14.5-172.7-73.9172.2000114.3R264 I266 L276 D549 Y551 N555 F556 T561R264-L553 HydrophobicContact CB-CD1 4.37Å; R264-L553 HydrophobicContact CB-CD2 4.19Å; R264-L553 HydrophobicContact CG-CD1 3.93Å; R264-L553 HydrophobicContact CG-CD2 3.77Å; I266-L553 HydrophobicContact CG2-CD2 3.88Å; L276-L553 HydrophobicContact CD2-CD2 4.06Å; D549-L553 PolarHBondContact OD1-N 3.17Å; Y551-L553 HydrophobicContact CD2-CD1 4.39Å; L553-N555 PolarHBondContact O-N 2.84Å; L553-F556 HydrophobicContact CD2-CD2 4.37Å; L553-F556 PolarHBondContact O-N 2.77Å; L553-T561 HydrophobicContact CD2-CG2 4.12Å
554E86.5Confident86.3Confident64 Ų6466.5 Ų66.530%0.29935%0.345SS..G310 helixtrans-68.9-11.3172.772.4-92.9-127.300114.1F348 S548 G552F348-E554 WeakPolarHBondContact CZ-O 3.34Å; S548-E554 VanDerWaalsContact CB-OE1 3.27Å; S548-E554 WeakPolarHBondContact CB-OE1 3.49Å; S548-E554 PolarHBondContact N-OE1 3.23Å; S548-E554 PolarHBondContact OG-OE1 3.23Å; G552-E554 VanDerWaalsContact CA-OE2 3.32Å; G552-E554 WeakPolarHBondContact CA-OE2 3.24Å; G552-E554 PolarHBondContact O-N 3.26Å; G552-E554 VanDerWaalsContact O-N 3.17Å
555N85.8Confident86.3Confident4 Ų463.5 Ų63.52%0.02134%0.336CS..G310 helixtrans-94.12.3176.8-61.4-47.7000114.1N342 G343 G344 F348 Q546 G552 L553N342-N555 PolarHBondContact O-ND2 3.28Å; G343-N555 VanDerWaalsContact O-CB 3.31Å; G343-N555 WeakPolarHBondContact O-CB 3.49Å; G343-N555 VanDerWaalsContact O-CG 3.28Å; G344-N555 WeakPolarHBondContact CA-O 3.39Å; F348-N555 HydrophobicContact CE1-CB 4.29Å; Q546-N555 PolarHBondContact O-ND2 2.86Å; G552-N555 PolarHBondContact O-N 2.97Å; G552-N555 VanDerWaalsContact O-N 3.14Å; L553-N555 PolarHBondContact O-N 2.84Å
556F85Confident86.1Confident28 Ų2868.6 Ų68.612%0.12336%0.359CS..SBendtrans-111.7150178.1-65.3-95.2000110.6I266 Y340 V341 L553 T558 T561I266-F556 HydrophobicContact CB-CD1 3.79Å; I266-F556 HydrophobicContact CB-CE1 4Å; I266-F556 HydrophobicContact CB-CG 4.42Å; I266-F556 HydrophobicContact CD1-CE1 4.36Å; I266-F556 HydrophobicContact CG2-CD1 4.25Å; I266-F556 HydrophobicContact CG2-CE1 4.46Å; I266-F556 HydrophobicContact CG2-CG 4.45Å; Y340-F556 HydrophobicContact CE2-CE1 4.33Å; Y340-F556 HydrophobicContact CE2-CE2 4.07Å; Y340-F556 AromaticContact CE2-CZ 3.54Å; Y340-F556 HydrophobicContact CE2-CZ 3.54Å; Y340-F556 AromaticContact CZ-CE2 3.97Å; Y340-F556 AromaticContact CZ-CZ 3.93Å; Y340-F556 WeakPolarHBondContact OH-CE2 3.46Å; V341-F556 WeakPolarHBondContact O-CZ 3.37Å; L553-F556 HydrophobicContact CD2-CD2 4.37Å; L553-F556 PolarHBondContact O-N 2.77Å; F556-T558 PolarHBondContact O-N 3.5Å; F556-T561 HydrophobicContact CB-CG2 3.79Å
557D83.1Confident86.2Confident64 Ų6463.1 Ų63.134%0.34233%0.334SS..  trans-64.8127-179.6-168.5-22.7000111.3Q559 F560 T561D557-Q559 HydrophobicContact CB-CG 4.21Å; D557-Q559 PolarHBondContact O-N 3.35Å; D557-Q559 VanDerWaalsContact O-N 3.1Å; D557-Q559 PolarHBondContact OD1-N 3.27Å; D557-Q559 PolarHBondContact OD2-NE2 2.96Å; D557-F560 HydrophobicContact CB-CD2 3.88Å; D557-F560 HydrophobicContact CB-CE2 4.05Å; D557-F560 PolarHBondContact O-N 3.1Å; D557-T561 PolarHBondContact O-N 3.28Å; D557-T561 VanDerWaalsContact O-N 3.16Å
558T85.1Confident86.1Confident93 Ų9363.7 Ų63.757%0.57134%0.341SS*.Hα-helixtrans-55.4-21.4174.261.10000114.3F556 F560 T561 N562F556-T558 PolarHBondContact O-N 3.5Å; T558-F560 PolarHBondContact O-N 2.88Å; T558-T561 WeakPolarHBondContact CA-OG1 3.45Å; T558-N562 WeakPolarHBondContact O-CB 3.4Å; T558-N562 PolarHBondContact O-N 3.02Å; T558-N562 PolarHBondContact O-ND2 3.21Å
559Q86.3Confident86.4Confident125 Ų12564 Ų6458%0.58434%0.34SS*.Hα-helixtrans-63.4-29.3171.281.2178.6-68.600112.3D557D557-Q559 HydrophobicContact CB-CG 4.21Å; D557-Q559 PolarHBondContact O-N 3.35Å; D557-Q559 VanDerWaalsContact O-N 3.1Å; D557-Q559 PolarHBondContact OD1-N 3.27Å; D557-Q559 PolarHBondContact OD2-NE2 2.96Å
560F86.5Confident86.9Confident38 Ų3863.9 Ų63.917%0.16734%0.34CS..Hα-helixtrans-92.7-46.6177-52.1-52.5000111.6V265 R268 D557 T558 N562 E563V265-F560 WeakPolarHBondContact CB-O 3.47Å; V265-F560 HydrophobicContact CG1-CB 4.41Å; V265-F560 CarbonylContact O-C 3.58Å; V265-F560 VanDerWaalsContact O-C 3.32Å; R268-F560 HydrophobicContact CB-CE1 3.98Å; R268-F560 HydrophobicContact CG-CD1 4.34Å; R268-F560 HydrophobicContact CG-CE1 4.19Å; D557-F560 HydrophobicContact CB-CD2 3.88Å; D557-F560 HydrophobicContact CB-CE2 4.05Å; D557-F560 PolarHBondContact O-N 3.1Å; T558-F560 PolarHBondContact O-N 2.88Å; F560-N562 PolarHBondContact O-N 2.83Å; F560-N562 VanDerWaalsContact O-N 3.12Å; F560-E563 WeakPolarHBondContact O-CB 3.33Å; F560-E563 PolarHBondContact O-N 3.27Å
561T88.1Confident87.2Confident19 Ų1961.7 Ų61.712%0.11733%0.332CS..Hα-helixtrans-69-14.8-17461.90000114.2R264 V265 L553 F556 D557 T558R264-T561 WeakPolarHBondContact CD-O 3.48Å; R264-T561 HydrophobicContact CG-CG2 4.2Å; R264-T561 PolarHBondContact NH1-O 2.76Å; V265-T561 WeakPolarHBondContact O-CA 3.22Å; V265-T561 PolarHBondContact O-N 2.86Å; L553-T561 HydrophobicContact CD2-CG2 4.12Å; F556-T561 HydrophobicContact CB-CG2 3.79Å; D557-T561 PolarHBondContact O-N 3.28Å; D557-T561 VanDerWaalsContact O-N 3.16Å; T558-T561 WeakPolarHBondContact CA-OG1 3.45Å
562N89.2Confident87.4Confident131 Ų13165.8 Ų65.870%0.70135%0.353SS*.THydrogen-bonded Turntrans-89.9-5.4168.2-69-57.6000114.7T558 F560T558-N562 WeakPolarHBondContact O-CB 3.4Å; T558-N562 PolarHBondContact O-N 3.02Å; T558-N562 PolarHBondContact O-ND2 3.21Å; F560-N562 PolarHBondContact O-N 2.83Å; F560-N562 VanDerWaalsContact O-N 3.12Å
563E89.5Confident87.5Confident42 Ų4270.1 Ų70.120%0.19638%0.376CS..SBendtrans-64.2146.4171.5-92.7-158-148.200111V265 R268 K273 F560 V565V265-E563 HydrophobicContact CB-CB 3.92Å; V265-E563 HydrophobicContact CG1-CB 4.12Å; V265-E563 HydrophobicContact CG2-CB 3.73Å; R268-E563 IonicContact CZ-OE1 3.62Å; R268-E563 IonicContact NE-OE1 3.69Å; R268-E563 PolarHBondContact NE-OE1 2.99Å; R268-E563 IonicContact NH2-OE1 2.85Å; R268-E563 PolarHBondContact NH2-OE1 3.17Å; R268-E563 IonicContact NH2-OE2 2.7Å; R268-E563 PolarHBondContact NH2-OE2 3.1Å; K273-E563 VanDerWaalsContact CE-OE2 3.3Å; K273-E563 WeakPolarHBondContact CE-OE2 3.45Å; K273-E563 IonicContact NZ-OE2 3.65Å; K273-E563 PolarHBondContact NZ-OE2 3.03Å; F560-E563 WeakPolarHBondContact O-CB 3.33Å; F560-E563 PolarHBondContact O-N 3.27Å; E563-V565 PolarHBondContact O-N 3.25Å
564P88.6Confident87.4Confident77 Ų7770.8 Ų70.850%0.538%0.381SS..  trans-61.3134.7170.927.8-34.6000110.3K273 Q566K273-P564 PolarHBondContact NZ-O 3.46Å; P564-Q566 HydrophobicContact CB-CG 4.1Å; P564-Q566 HydrophobicContact CG-CG 4.27Å; P564-Q566 PolarHBondContact O-N 2.83Å
565V92.3Very high87.4Confident49 Ų4968.8 Ų68.830%0.29737%0.372SS..SBendtrans-79.164.6-176.9-166.10000110.1L262 E563L262-V565 HydrophobicContact CB-CG1 3.85Å; L262-V565 WeakPolarHBondContact O-CG1 3.33Å; E563-V565 PolarHBondContact O-N 3.25Å
566Q87.9Confident87.4Confident117 Ų11775 Ų7555%0.54740%0.399SS..  trans-140.9149.7179.265.6-171.8-4.500110.5K273 P564K273-Q566 PolarHBondContact NZ-O 3Å; P564-Q566 HydrophobicContact CB-CG 4.1Å; P564-Q566 HydrophobicContact CG-CG 4.27Å; P564-Q566 PolarHBondContact O-N 2.83Å
567L88.3Confident87.5Confident32 Ų3283.1 Ų83.117%0.16843%0.429CS..PPolyproline II helixtrans-71.2153.8160.7-58-179.4000108.7L257 L275 V290 F335L257-L567 HydrophobicContact CD2-CD1 3.83Å; L275-L567 HydrophobicContact CD1-CD2 3.94Å; V290-L567 HydrophobicContact CB-CD2 4.47Å; V290-L567 HydrophobicContact CG1-CD2 4Å; V290-L567 HydrophobicContact CG2-CD2 4.24Å; F335-L567 HydrophobicContact CE1-CD1 3.98Å; F335-L567 HydrophobicContact CZ-CD1 4.03Å
568T85.8Confident87.4Confident75 Ų7581.4 Ų81.446%0.4642%0.419SS..PPolyproline II helixtrans-61142.4166.150.40000109.2K292 R333K292-T568 WeakPolarHBondContact CE-OG1 3.35Å; R333-T568 PolarHBondContact NH2-O 3.35Å; R333-T568 PolarHBondContact NH2-OG1 3.2Å
569P87.1Confident87.3Confident116 Ų11681 Ų8175%0.75341%0.413SS*.PPolyproline II helixtrans-52156.4165.9-26.235.6000111.7
570D88.6Confident87.2Confident71 Ų7178.3 Ų78.338%0.3840%0.401SS..PPolyproline II helixtrans-91.5158.5177.1-81.7-37000112.8S332 R333 I575S332-D570 VanDerWaalsContact CB-CG 3.42Å; S332-D570 WeakPolarHBondContact CB-OD1 3.04Å; S332-D570 WeakPolarHBondContact CB-OD2 3.29Å; S332-D570 VanDerWaalsContact OG-CG 3.25Å; S332-D570 PolarHBondContact OG-OD1 3.41Å; S332-D570 PolarHBondContact OG-OD2 2.71Å; R333-D570 IonicContact CZ-OD1 3.56Å; R333-D570 IonicContact CZ-OD2 3.13Å; R333-D570 VanDerWaalsContact NH1-CG 3.27Å; R333-D570 IonicContact NH1-OD1 3.54Å; R333-D570 PolarHBondContact NH1-OD1 3.21Å; R333-D570 VanDerWaalsContact NH1-OD1 3.08Å; R333-D570 IonicContact NH1-OD2 2.68Å; R333-D570 PolarHBondContact NH1-OD2 2.79Å; R333-D570 IonicContact NH2-OD1 2.8Å; R333-D570 PolarHBondContact NH2-OD1 2.66Å; R333-D570 IonicContact NH2-OD2 2.71Å; D570-I575 HydrophobicContact CB-CD1 3.84Å
571D88.6Confident86.8Confident92 Ų9279.8 Ų79.849%0.49242%0.416SS..  trans-114.5108.6175.1-173.5-37.6000107.9D573 V574 I575D571-D573 PolarHBondContact O-N 3.34Å; D571-D573 PolarHBondContact OD1-N 2.95Å; D571-V574 HydrophobicContact CB-CB 4.04Å; D571-V574 HydrophobicContact CB-CG2 3.81Å; D571-V574 WeakPolarHBondContact O-CB 3.43Å; D571-V574 PolarHBondContact O-N 2.72Å; D571-V574 PolarHBondContact OD1-N 3.26Å; D571-I575 PolarHBondContact O-N 3.17Å
572E89.6Confident86.3Confident121 Ų12182.7 Ų82.757%0.56543%0.428SS*.Hα-helixtrans-52-38.3178.7-70.7-68.7144.600112.9V574 K576E572-V574 VanDerWaalsContact C-N 3.3Å; E572-K576 VanDerWaalsContact O-CD 3.22Å; E572-K576 WeakPolarHBondContact O-CD 3.35Å; E572-K576 WeakPolarHBondContact O-CE 3.24Å; E572-K576 WeakPolarHBondContact O-CG 3.4Å; E572-K576 PolarHBondContact O-N 2.86Å
573D88.3Confident85.8Confident90 Ų9076.9 Ų76.948%0.48140%0.397SS..Hα-helixtrans-84.6-8.1-177.5-73.7-8.9000112.4D571 K576 R577D571-D573 PolarHBondContact O-N 3.34Å; D571-D573 PolarHBondContact OD1-N 2.95Å; D573-K576 IonicContact OD1-NZ 2.99Å; D573-K576 PolarHBondContact OD1-NZ 2.87Å; D573-R577 VanDerWaalsContact O-CZ 3.28Å; D573-R577 PolarHBondContact O-NE 3.49Å; D573-R577 PolarHBondContact O-NH2 3.32Å; D573-R577 VanDerWaalsContact O-NH2 3.07Å
574V84.5Confident85.2Confident39 Ų3982.5 Ų82.524%0.23642%0.423CS..Hα-helixtrans-86.1-47.5163.1177.70000110.3E294 D571 E572 K576 R577 I578E294-V574 HydrophobicContact CB-CG1 3.5Å; E294-V574 HydrophobicContact CG-CG1 4.46Å; D571-V574 HydrophobicContact CB-CB 4.04Å; D571-V574 HydrophobicContact CB-CG2 3.81Å; D571-V574 WeakPolarHBondContact O-CB 3.43Å; D571-V574 PolarHBondContact O-N 2.72Å; D571-V574 PolarHBondContact OD1-N 3.26Å; E572-V574 VanDerWaalsContact C-N 3.3Å; V574-K576 VanDerWaalsContact C-N 3.29Å; V574-K576 PolarHBondContact O-N 3.16Å; V574-R577 PolarHBondContact O-N 3.39Å; V574-I578 HydrophobicContact CG1-CD1 4.45Å
575I86.8Confident84.6Confident21 Ų2181.5 Ų81.511%0.10843%0.427CS..Hα-helixtrans-53.7-44.9-179.6-69.8173.3000111.6E331 D570 D571 R577 I578E331-I575 HydrophobicContact CB-CG2 3.93Å; D570-I575 HydrophobicContact CB-CD1 3.84Å; D571-I575 PolarHBondContact O-N 3.17Å; I575-R577 PolarHBondContact O-N 3.5Å; I575-I578 PolarHBondContact O-N 2.85Å
576K86.9Confident84.1Confident136 Ų13679.7 Ų79.759%0.59142%0.415SS*.THydrogen-bonded Turntrans-62.2-6.7178.8-65.8160-154.4159.80115.1E572 D573 V574E572-K576 VanDerWaalsContact O-CD 3.22Å; E572-K576 WeakPolarHBondContact O-CD 3.35Å; E572-K576 WeakPolarHBondContact O-CE 3.24Å; E572-K576 WeakPolarHBondContact O-CG 3.4Å; E572-K576 PolarHBondContact O-N 2.86Å; D573-K576 IonicContact OD1-NZ 2.99Å; D573-K576 PolarHBondContact OD1-NZ 2.87Å; V574-K576 VanDerWaalsContact C-N 3.29Å; V574-K576 PolarHBondContact O-N 3.16Å
577R85.8Confident83.9Confident198 Ų19877.9 Ų77.975%0.74741%0.406SS*.THydrogen-bonded Turntrans-108.7-5.2177.8-54.4-178-146.2-178.911113.3D573 V574 I575D573-R577 VanDerWaalsContact O-CZ 3.28Å; D573-R577 PolarHBondContact O-NE 3.49Å; D573-R577 PolarHBondContact O-NH2 3.32Å; D573-R577 VanDerWaalsContact O-NH2 3.07Å; V574-R577 PolarHBondContact O-N 3.39Å; I575-R577 PolarHBondContact O-N 3.5Å
578I82.3Confident83.7Confident27 Ų2778.3 Ų78.314%0.13841%0.406CS..SBendtrans-87.4118.5178.2-59.9173000107K293 V574 I575 Q580 F583K293-I578 HydrophobicContact CB-CD1 3.81Å; K293-I578 HydrophobicContact CB-CG2 3.87Å; K293-I578 HydrophobicContact CD-CG2 4.07Å; V574-I578 HydrophobicContact CG1-CD1 4.45Å; I575-I578 PolarHBondContact O-N 2.85Å; I578-Q580 PolarHBondContact O-N 2.98Å; I578-Q580 PolarHBondContact O-NE2 3.43Å; I578-F583 HydrophobicContact CG2-CE2 3.82Å
579D82.6Confident83.6Confident85 Ų8577 Ų7746%0.45540%0.396SS..  trans-68.2123.7168.7-161.7-43.1000108.1S581 E582 F583D579-S581 WeakPolarHBondContact OD1-CB 3.37Å; D579-S581 PolarHBondContact OD1-N 2.79Å; D579-S581 PolarHBondContact OD1-OG 2.9Å; D579-E582 HydrophobicContact CB-CG 4.09Å; D579-F583 WeakPolarHBondContact O-CD2 3.29Å; D579-F583 VanDerWaalsContact O-CE2 3.27Å; D579-F583 WeakPolarHBondContact O-CE2 3.26Å
580Q83.3Confident83.3Confident69 Ų6971.7 Ų71.732%0.32236%0.361SS..SBendtrans-84.7-18.1-177.9-58.5-64.3-37.200111.8E331 I578 E582 F583E331-Q580 PolarHBondContact O-NE2 3.46Å; E331-Q580 PolarHBondContact O-OE1 3.23Å; I578-Q580 PolarHBondContact O-N 2.98Å; I578-Q580 PolarHBondContact O-NE2 3.43Å; Q580-E582 VanDerWaalsContact C-N 3.31Å; Q580-E582 PolarHBondContact O-N 3.37Å; Q580-F583 PolarHBondContact O-N 3.48Å
581S78.9Confident82.6Confident69 Ų6972.2 Ų72.248%0.48337%0.368SS..G310 helixtrans-70.7-27.4-179.268.30000112.7D579 F583 E584D579-S581 WeakPolarHBondContact OD1-CB 3.37Å; D579-S581 PolarHBondContact OD1-N 2.79Å; D579-S581 PolarHBondContact OD1-OG 2.9Å; S581-F583 PolarHBondContact O-N 2.77Å; S581-E584 PolarHBondContact O-N 2.77Å
582E77.5Confident81.6Confident79 Ų7972.5 Ų72.537%0.36937%0.369SS..G310 helixtrans-57.8-17.9171.6-67.5177.7169.200113.6I302 D579 Q580I302-E582 HydrophobicContact CD1-CB 3.86Å; I302-E582 HydrophobicContact CD1-CG 3.8Å; D579-E582 HydrophobicContact CB-CG 4.09Å; Q580-E582 VanDerWaalsContact C-N 3.31Å; Q580-E582 PolarHBondContact O-N 3.37Å
583F79.6Confident80.3Confident9 Ų969.9 Ų69.94%0.03936%0.359CS..G310 helixtrans-117.18.5-176.4-50.9-79.8000113.7K293 V296 Q329 L334 I578 D579 Q580 S581 G585 F586K293-F583 HydrophobicContact CB-CE2 4.34Å; K293-F583 HydrophobicContact CB-CZ 4.18Å; K293-F583 HydrophobicContact CD-CD2 3.86Å; K293-F583 HydrophobicContact CD-CE2 3.89Å; K293-F583 HydrophobicContact CD-CG 4.24Å; K293-F583 HydrophobicContact CD-CZ 4.28Å; K293-F583 HydrophobicContact CG-CD1 4.44Å; K293-F583 HydrophobicContact CG-CD2 4.33Å; K293-F583 HydrophobicContact CG-CE1 4.1Å; K293-F583 HydrophobicContact CG-CE2 4Å; K293-F583 HydrophobicContact CG-CZ 3.88Å; V296-F583 HydrophobicContact CB-CE1 4.25Å; V296-F583 HydrophobicContact CB-CZ 4.02Å; V296-F583 HydrophobicContact CG1-CE1 3.99Å; V296-F583 HydrophobicContact CG1-CZ 3.89Å; V296-F583 HydrophobicContact CG2-CE1 4.25Å; V296-F583 HydrophobicContact CG2-CZ 4.44Å; Q329-F583 PolarHBondContact NE2-O 3.11Å; L334-F583 HydrophobicContact CD1-CD1 3.89Å; L334-F583 HydrophobicContact CD1-CE1 3.95Å; L334-F583 HydrophobicContact CD2-CB 4.39Å; L334-F583 HydrophobicContact CD2-CD1 3.79Å; L334-F583 HydrophobicContact CD2-CE1 4.45Å; L334-F583 HydrophobicContact CD2-CG 4.27Å; L334-F583 HydrophobicContact CG-CD1 4.3Å; I578-F583 HydrophobicContact CG2-CE2 3.82Å; D579-F583 WeakPolarHBondContact O-CD2 3.29Å; D579-F583 VanDerWaalsContact O-CE2 3.27Å; D579-F583 WeakPolarHBondContact O-CE2 3.26Å; Q580-F583 PolarHBondContact O-N 3.48Å; S581-F583 PolarHBondContact O-N 2.77Å; F583-G585 PolarHBondContact O-N 2.91Å; F583-F586 VanDerWaalsContact O-CB 3.31Å; F583-F586 WeakPolarHBondContact O-CB 3.31Å; F583-F586 PolarHBondContact O-N 3.06Å
584E77Confident78.5Confident161 Ų16168.3 Ų68.375%0.75235%0.35SS*.THydrogen-bonded Turntrans-63131.7174.9-78.2-178.2-157.400111.2S581 F586S581-E584 PolarHBondContact O-N 2.77Å; E584-F586 VanDerWaalsContact C-N 3.33Å
585G75.8Confident76.6Confident56 Ų5670 Ų7058%0.57736%0.364SS*.THydrogen-bonded Turntrans79.311.5-176.400000114.6K309 F583 E587K309-G585 PolarHBondContact NZ-O 2.93Å; F583-G585 PolarHBondContact O-N 2.91Å; G585-E587 PolarHBondContact O-N 2.89Å
586F81.6Confident74.6Confident11 Ų1173.3 Ų73.35%0.04839%0.385CS..  trans-61.3-31.2168.7-177.8-105.8000111.9V305 K309 C327 F328 Q329 L334 L336 F583 E584V305-F586 HydrophobicContact CG1-CD2 3.68Å; V305-F586 HydrophobicContact CG1-CE2 3.46Å; V305-F586 VanDerWaalsContact CG1-CE2 3.46Å; K309-F586 PolarHBondContact NZ-O 3.12Å; C327-F586 HydrophobicContact CB-CD1 4.09Å; C327-F586 HydrophobicContact CB-CE1 3.64Å; C327-F586 HydrophobicContact CB-CE2 4.39Å; C327-F586 HydrophobicContact CB-CZ 3.8Å; C327-F586 VanDerWaalsContact CB-O 3.26Å; C327-F586 WeakPolarHBondContact CB-O 3.41Å; F328-F586 VanDerWaalsContact O-CE1 3.29Å; F328-F586 WeakPolarHBondContact O-CE1 3.25Å; Q329-F586 HydrophobicContact CB-CD1 4.19Å; L334-F586 HydrophobicContact CB-CD1 4.49Å; L334-F586 HydrophobicContact CB-CE1 3.85Å; L334-F586 HydrophobicContact CB-CE2 4.47Å; L334-F586 HydrophobicContact CB-CZ 3.85Å; L334-F586 HydrophobicContact CD1-CE2 4.3Å; L334-F586 HydrophobicContact CD1-CZ 4.48Å; L334-F586 HydrophobicContact CD2-CD1 3.82Å; L334-F586 HydrophobicContact CD2-CD2 4.36Å; L334-F586 HydrophobicContact CD2-CE1 4.05Å; L334-F586 HydrophobicContact CD2-CG 3.98Å; L334-F586 HydrophobicContact CD2-CZ 4.44Å; L334-F586 HydrophobicContact CG-CE1 4.46Å; L334-F586 HydrophobicContact CG-CZ 4.49Å; L336-F586 HydrophobicContact CD1-CZ 3.95Å; L336-F586 HydrophobicContact CG-CZ 4.05Å; F583-F586 VanDerWaalsContact O-CB 3.31Å; F583-F586 WeakPolarHBondContact O-CB 3.31Å; F583-F586 PolarHBondContact O-N 3.06Å; E584-F586 VanDerWaalsContact C-N 3.33Å
587E83.2Confident72.6Confident78 Ų7868.7 Ų68.736%0.36437%0.365SS..  trans-49.8138.9177.6-69.268.8-153.900112.8K309 C327 Q329 G585K309-E587 PolarHBondContact NZ-O 3.17Å; C327-E587 WeakPolarHBondContact O-CA 3.32Å; Q329-E587 VanDerWaalsContact CG-OE1 3.23Å; Q329-E587 WeakPolarHBondContact CG-OE1 3.3Å; Q329-E587 PolarHBondContact NE2-OE1 2.86Å; Q329-E587 PolarHBondContact NE2-OE2 2.61Å; G585-E587 PolarHBondContact O-N 2.89Å
588Y84Confident70.4Confident42 Ų4267 Ų6717%0.16537%0.366CS..EExtended strand (participates in β ladder)trans-160145.8177.3178.1-101.1000110.7E313 L324 S326 C327 N590E313-Y588 HydrophobicContact CG-CD2 4.46Å; E313-Y588 HydrophobicContact CG-CE1 4.36Å; E313-Y588 HydrophobicContact CG-CE2 3.8Å; E313-Y588 WeakPolarHBondContact OE1-CD2 3.34Å; E313-Y588 WeakPolarHBondContact OE1-CE2 3.44Å; L324-Y588 HydrophobicContact CD2-CD1 3.54Å; L324-Y588 HydrophobicContact CD2-CE1 3.63Å; L324-Y588 HydrophobicContact CD2-CG 4.44Å; L324-Y588 HydrophobicContact CG-CD1 4.13Å; L324-Y588 HydrophobicContact CG-CE1 4.11Å; S326-Y588 CarbonylContact C-O 3.44Å; S326-Y588 WeakPolarHBondContact CA-O 3.24Å; S326-Y588 WeakPolarHBondContact CB-O 3.21Å; C327-Y588 PolarHBondContact N-O 2.67Å; C327-Y588 PolarHBondContact O-N 3.41Å; Y588-N590 HydrophobicContact CE1-CB 3.74Å
589I84.5Confident67.9Low48 Ų4870 Ų7025%0.24639%0.389CS..EExtended strand (participates in β ladder)trans-137.7132.5163.5-49.7178.1000106.8T253 L255 P591 L594T253-I589 WeakPolarHBondContact O-CD1 3.43Å; L255-I589 HydrophobicContact CD1-CD1 4.05Å; L255-I589 HydrophobicContact CD1-CG1 4.28Å; L255-I589 HydrophobicContact CD1-CG2 4.42Å; L255-I589 HydrophobicContact CG-CD1 4.02Å; I589-P591 WeakPolarHBondContact O-CD 3.41Å; I589-L594 HydrophobicContact CB-CD1 4.21Å; I589-L594 HydrophobicContact CG2-CD1 3.69Å; I589-L594 HydrophobicContact CG2-CD2 4.03Å; I589-L594 HydrophobicContact CG2-CG 3.81Å
590N80.3Confident65.4Low4 Ų475.1 Ų75.12%0.02142%0.423CS..  trans-71.7116.1-173.5-171.7-26.5000111.4L324 H325 Y588 L592 L593 L594L324-N590 WeakPolarHBondContact O-CB 3.4Å; L324-N590 PolarHBondContact O-ND2 3.05Å; H325-N590 WeakPolarHBondContact O-CB 3.39Å; H325-N590 PolarHBondContact O-N 2.75Å; Y588-N590 HydrophobicContact CE1-CB 3.74Å; N590-L592 PolarHBondContact O-N 3.1Å; N590-L592 WeakPolarHBondContact OD1-CB 3.27Å; N590-L592 PolarHBondContact OD1-N 3.06Å; N590-L593 HydrophobicContact CB-CB 4.23Å; N590-L593 HydrophobicContact CB-CD1 4.02Å; N590-L593 HydrophobicContact CB-CG 4.24Å; N590-L593 PolarHBondContact O-N 3.31Å; N590-L594 PolarHBondContact O-N 2.93Å; N590-L594 VanDerWaalsContact O-N 3.09Å
591P74.4Confident64.5Low81 Ų8175.4 Ų75.453%0.52643%0.428SS..Hα-helixtrans-66.5-24.2-177.328-35.1000113.3I589 S595I589-P591 WeakPolarHBondContact O-CD 3.41Å; P591-S595 PolarHBondContact O-N 3.49Å; P591-S595 PolarHBondContact O-OG 3.31Å
592L66.9Low63.7Low99 Ų9975.7 Ų75.752%0.51843%0.425SS..Hα-helixtrans-75.5-31178.5-56.3177.5000112.1T317 N590 S595 T596T317-L592 HydrophobicContact CG2-CD1 4.19Å; N590-L592 PolarHBondContact O-N 3.1Å; N590-L592 WeakPolarHBondContact OD1-CB 3.27Å; N590-L592 PolarHBondContact OD1-N 3.06Å; L592-S595 PolarHBondContact O-OG 2.85Å; L592-T596 PolarHBondContact O-OG1 2.78Å
593L61.7Low63Low66 Ų6675.6 Ų75.635%0.34643%0.428SS..Hα-helixtrans-81.5-39.9176.7-66.1173000110.8H325 N590 S595 T596 E597H325-L593 HydrophobicContact CB-CD1 4.24Å; N590-L593 HydrophobicContact CB-CB 4.23Å; N590-L593 HydrophobicContact CB-CD1 4.02Å; N590-L593 HydrophobicContact CB-CG 4.24Å; N590-L593 PolarHBondContact O-N 3.31Å; L593-S595 VanDerWaalsContact C-N 3.31Å; L593-S595 PolarHBondContact O-N 3.24Å; L593-T596 WeakPolarHBondContact O-CA 3.48Å; L593-T596 WeakPolarHBondContact O-CB 3.28Å; L593-T596 PolarHBondContact O-N 2.97Å; L593-E597 PolarHBondContact O-N 3.01Å
594L52Low62Low57 Ų5779.5 Ų79.530%0.29845%0.451SS..Hα-helixtrans-53.1-43.8172.5-78.3170.3000113I589 N590 T596 E597 E598I589-L594 HydrophobicContact CB-CD1 4.21Å; I589-L594 HydrophobicContact CG2-CD1 3.69Å; I589-L594 HydrophobicContact CG2-CD2 4.03Å; I589-L594 HydrophobicContact CG2-CG 3.81Å; N590-L594 PolarHBondContact O-N 2.93Å; N590-L594 VanDerWaalsContact O-N 3.09Å; L594-T596 PolarHBondContact O-N 2.8Å; L594-E597 PolarHBondContact O-N 3.49Å; L594-E597 VanDerWaalsContact O-N 3.11Å; L594-E598 PolarHBondContact O-N 3.14Å
595S43.7Very low61.1Low75 Ų7574.4 Ų74.452%0.52443%0.432SS..Hα-helixtrans-66-18.217856.20000114.2P591 L592 L593P591-S595 PolarHBondContact O-N 3.49Å; P591-S595 PolarHBondContact O-OG 3.31Å; L592-S595 PolarHBondContact O-OG 2.85Å; L593-S595 VanDerWaalsContact C-N 3.31Å; L593-S595 PolarHBondContact O-N 3.24Å
596T43.8Very low60.1Low90 Ų9075.6 Ų75.655%0.55242%0.423SS*.Hα-helixtrans-83.6-41.4171.9-47.70000110.1L592 L593 L594 E598 S599L592-T596 PolarHBondContact O-OG1 2.78Å; L593-T596 WeakPolarHBondContact O-CA 3.48Å; L593-T596 WeakPolarHBondContact O-CB 3.28Å; L593-T596 PolarHBondContact O-N 2.97Å; L594-T596 PolarHBondContact O-N 2.8Å; T596-E598 PolarHBondContact O-N 3.31Å; T596-S599 PolarHBondContact O-N 3.28Å; T596-S599 PolarHBondContact O-OG 3.17Å
597E46Very low58.6Low38 Ų3880.2 Ų80.218%0.17845%0.449CS..Hα-helixtrans-66-32.3177.5-66.2-163.4166.900114.5K281 N282 H325 L593 L594 S599K281-E597 IonicContact NZ-OE2 2.76Å; K281-E597 PolarHBondContact NZ-OE2 2.84Å; N282-E597 PolarHBondContact ND2-OE1 2.9Å; H325-E597 IonicContact NE2-OE1 2.81Å; L593-E597 PolarHBondContact O-N 3.01Å; L594-E597 PolarHBondContact O-N 3.49Å; L594-E597 VanDerWaalsContact O-N 3.11Å; E597-S599 PolarHBondContact O-N 3.26Å
598E38.6Very low56.7Low163 Ų16380.4 Ų80.476%0.76246%0.456SS*.THydrogen-bonded Turntrans-81.54.1178.4-66.8-168.7157.600113.7L594 T596L594-E598 PolarHBondContact O-N 3.14Å; T596-E598 PolarHBondContact O-N 3.31Å
599S30.9Very low54.4Low89 Ų8983.6 Ų83.662%0.62248%0.48SS*.THydrogen-bonded Turntrans-103.612.4-173.574.30000115.8T596 E597T596-S599 PolarHBondContact O-N 3.28Å; T596-S599 PolarHBondContact O-OG 3.17Å; E597-S599 PolarHBondContact O-N 3.26Å
600V29.7Very low51.6Low193 Ų19386.8 Ų86.8100%1.1750%0.502SS*.  trans-116.50-173.6-174.90000112.1

Retrieved 600 of 600 residues in 191.1 ms (Link to these results)

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