A0A087Y0L5_POEFO Loading...

TBC1 domain family member 15

Acts as a GTPase activating protein for RAB7A. Does not act on RAB4, RAB5 or RAB6.

AlphaFold DB , UniProt , Accession A0A087Y0L5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 625 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
1M36.6Very low58.7Low243 Ų243128.5 Ų128.5100%1.19768%0.676SS**  0128.30-71.6150.5173.800105.8
2G36Very low61.1Low78 Ų78120.3 Ų120.380%0.80463%0.63SS**  trans-84.4137.1172.200000108.9
3E38.5Very low63.2Low190 Ų190117.9 Ų117.989%0.88861%0.614SS**  trans-77.7131.1171.8-66.5172.6137.700108.3V5E3-V5 PolarHBondContact O-N 2.71Å; E3-V5 VanDerWaalsContact O-N 3.08Å
4N39.2Very low64.5Low159 Ų159113.4 Ų113.485%0.8559%0.587SS**  trans-68.7106.4169.7-84.6-5.8000107.7E6N4-E6 PolarHBondContact O-N 2.74Å; N4-E6 VanDerWaalsContact O-N 3.13Å
5V45.5Very low65.7Low139 Ų139111.6 Ų111.684%0.84258%0.575SS**  trans-67.4107.5161.9-179.10000106.3E3 D7E3-V5 PolarHBondContact O-N 2.71Å; E3-V5 VanDerWaalsContact O-N 3.08Å; V5-D7 PolarHBondContact O-N 2.96Å
6E55Low66.2Low156 Ų156104.8 Ų104.873%0.72954%0.541SS*.  trans-61.8130.6172.4-68.2-167.8158.900109.2N4 Y8N4-E6 PolarHBondContact O-N 2.74Å; N4-E6 VanDerWaalsContact O-N 3.13Å; E6-Y8 PolarHBondContact O-N 3.12Å
7D62.8Low67Low127 Ų12798.6 Ų98.668%0.67951%0.509SS*.  trans-75.978-179-157.512.8000109.1V5 A42V5-D7 PolarHBondContact O-N 2.96Å; D7-A42 PolarHBondContact O-N 2.91Å; D7-A42 VanDerWaalsContact O-N 3.1Å
8Y78.6Confident67.8Low105 Ų10596 Ų9641%0.41249%0.492SS..EExtended strand (participates in β ladder)trans-97.1124.1178.2172.9-87.3000109.9E6 L10 V39 R41E6-Y8 PolarHBondContact O-N 3.12Å; Y8-L10 HydrophobicContact CE1-CB 4.39Å; Y8-V39 HydrophobicContact CE2-CB 3.87Å; Y8-V39 HydrophobicContact CE2-CG1 3.78Å; Y8-V39 HydrophobicContact CE2-CG2 4.45Å; Y8-V39 WeakPolarHBondContact OH-CG1 3.48Å; Y8-R41 HydrophobicContact CD2-CG 4.1Å
9K83Confident68.4Low110 Ų11091 Ų9148%0.47847%0.466SS..EExtended strand (participates in β ladder)trans-136.3115.2-175.8178.1177.9154.5-148.80110.3I11 E40K9-I11 HydrophobicContact CD-CD1 4.14Å; K9-I11 HydrophobicContact CG-CD1 3.84Å; K9-E40 HydrophobicContact CB-CB 4.3Å; K9-E40 WeakPolarHBondContact CD-OE2 3.33Å; K9-E40 WeakPolarHBondContact CE-OE2 3.01Å; K9-E40 PolarHBondContact N-O 3.49Å; K9-E40 IonicContact NZ-OE2 3.31Å; K9-E40 PolarHBondContact NZ-OE2 3.2Å; K9-E40 PolarHBondContact O-N 2.71Å
10L85.6Confident68.6Low78 Ų7889.2 Ų89.241%0.40846%0.456SS..EExtended strand (participates in β ladder)trans-76.6121.4175.5-174.663.6000109.6Y8 F12 E13 R37 V39Y8-L10 HydrophobicContact CE1-CB 4.39Å; L10-F12 WeakPolarHBondContact CD1-O 3.22Å; L10-E13 HydrophobicContact CD1-CB 4.35Å; L10-E13 HydrophobicContact CD2-CB 4.14Å; L10-R37 HydrophobicContact CD1-CB 4.1Å; L10-R37 HydrophobicContact CD1-CG 4.16Å; L10-V39 HydrophobicContact CD1-CG1 3.96Å
11I84.8Confident68.4Low28 Ų2885.7 Ų85.714%0.14444%0.439CS..EExtended strand (participates in β ladder)trans-99.7-33.4-177-50.2-63.7000111.4K9 I38 E40 Y161K9-I11 HydrophobicContact CD-CD1 4.14Å; K9-I11 HydrophobicContact CG-CD1 3.84Å; I11-I38 HydrophobicContact CB-CB 4.18Å; I11-I38 HydrophobicContact CB-CG2 4.02Å; I11-I38 WeakPolarHBondContact CB-O 3.49Å; I11-I38 HydrophobicContact CG1-CG2 4.32Å; I11-I38 HydrophobicContact CG2-CG2 4.48Å; I11-I38 PolarHBondContact N-O 3.04Å; I11-E40 HydrophobicContact CD1-CB 4.06Å; I11-E40 HydrophobicContact CG1-CB 4.06Å; I11-Y161 WeakPolarHBondContact CD1-OH 3.37Å; I11-Y161 HydrophobicContact CG1-CE2 4.47Å; I11-Y161 WeakPolarHBondContact CG1-OH 3.47Å; I11-Y161 HydrophobicContact CG2-CE2 4.18Å
12F88.1Confident69.1Low30 Ų3081.4 Ų81.413%0.13242%0.421CS..EExtended strand (participates in β ladder)trans-155.5146178.6177.3-101.7000110L10 K14 I36 R37 I38 E153 L154 A157L10-F12 WeakPolarHBondContact CD1-O 3.22Å; F12-K14 HydrophobicContact CE1-CB 3.63Å; F12-K14 HydrophobicContact CZ-CB 3.56Å; F12-K14 HydrophobicContact CZ-CG 4.4Å; F12-I36 HydrophobicContact CE1-CG2 4.12Å; F12-R37 CarbonylContact O-C 3.6Å; F12-R37 WeakPolarHBondContact O-CA 3.42Å; F12-I38 HydrophobicContact CB-CB 4.11Å; F12-I38 HydrophobicContact CB-CD1 4.2Å; F12-I38 HydrophobicContact CB-CG1 4.22Å; F12-I38 PolarHBondContact N-O 3.39Å; F12-I38 PolarHBondContact O-N 3.4Å; F12-E153 HydrophobicContact CE2-CB 3.71Å; F12-E153 HydrophobicContact CZ-CB 4.28Å; F12-L154 HydrophobicContact CD1-CB 4.28Å; F12-L154 HydrophobicContact CD1-CD1 3.55Å; F12-L154 HydrophobicContact CE1-CB 3.58Å; F12-L154 HydrophobicContact CE1-CD1 3.54Å; F12-L154 HydrophobicContact CE1-CG 4.12Å; F12-L154 HydrophobicContact CZ-CB 3.76Å; F12-A157 HydrophobicContact CB-CB 3.73Å; F12-A157 HydrophobicContact CD2-CB 4.26Å; F12-A157 HydrophobicContact CG-CB 4.09Å
13E87.6Confident69.6Low90 Ų9080.3 Ų80.342%0.42140%0.404SS..EExtended strand (participates in β ladder)trans-143.7142.1169.1177.6171.7-118.900109.7L10 F35 I36 R37L10-E13 HydrophobicContact CD1-CB 4.35Å; L10-E13 HydrophobicContact CD2-CB 4.14Å; E13-F35 HydrophobicContact CG-CD1 4.1Å; E13-I36 CarbonylContact C-O 3.57Å; E13-I36 WeakPolarHBondContact CA-O 3.43Å; E13-R37 HydrophobicContact CB-CG 4.23Å; E13-R37 HydrophobicContact CG-CG 4.07Å; E13-R37 IonicContact OE1-CZ 2.71Å; E13-R37 IonicContact OE1-NE 3.93Å; E13-R37 PolarHBondContact OE1-NE 3.33Å; E13-R37 IonicContact OE1-NH2 2.66Å; E13-R37 PolarHBondContact OE1-NH2 3.41Å
14K81.8Confident69.7Low55 Ų5578.7 Ų78.724%0.23939%0.394CS..EExtended strand (participates in β ladder)trans-148.6117.6173.8176.661.6176.9-173.10112F12 V17 F35 I36 R148 G149F12-K14 HydrophobicContact CE1-CB 3.63Å; F12-K14 HydrophobicContact CZ-CB 3.56Å; F12-K14 HydrophobicContact CZ-CG 4.4Å; K14-V17 HydrophobicContact CG-CG2 3.99Å; K14-F35 WeakPolarHBondContact O-CA 3.21Å; K14-I36 HydrophobicContact CB-CG2 4.03Å; K14-I36 PolarHBondContact N-O 2.99Å; K14-I36 PolarHBondContact O-N 2.78Å; K14-R148 WeakPolarHBondContact CE-O 3.31Å; K14-R148 PolarHBondContact NZ-O 2.79Å; K14-G149 WeakPolarHBondContact CE-O 3.49Å
15E82.1Confident69.5Low86 Ų8681.8 Ų81.840%0.40239%0.394SS..EExtended strand (participates in β ladder)trans-75.5158167.1-165.5-138.9116.600111.4F35 R148E15-F35 HydrophobicContact CB-CD1 3.83Å; E15-F35 HydrophobicContact CB-CE1 3.72Å; E15-F35 HydrophobicContact CG-CD1 4.19Å; E15-F35 HydrophobicContact CG-CE1 3.78Å; E15-F35 HydrophobicContact CG-CZ 4.16Å; E15-R148 IonicContact OE1-CZ 3.37Å; E15-R148 IonicContact OE1-NH1 3.12Å; E15-R148 PolarHBondContact OE1-NH1 3.31Å
16G74.8Confident69.1Low3 Ų380 Ų803%0.03139%0.388CS..EExtended strand (participates in β ladder)trans84.423177.200000113.7Y18 G34 H147G16-Y18 WeakPolarHBondContact O-CD2 3.38Å; G16-G34 PolarHBondContact N-O 3.01Å; G16-H147 PolarHBondContact O-N 2.83Å
17V78.8Confident68.4Low0 Ų081.1 Ų81.10%040%0.396CS..EExtended strand (participates in β ladder)trans-104.2112.5173.4-1760000108.2K14 G34 I36 W49 L144 H145 F146K14-V17 HydrophobicContact CG-CG2 3.99Å; V17-G34 PolarHBondContact N-O 3.23Å; V17-G34 CarbonylContact O-C 3.37Å; V17-G34 PolarHBondContact O-N 2.75Å; V17-I36 HydrophobicContact CB-CB 4.46Å; V17-I36 HydrophobicContact CB-CG2 4.36Å; V17-I36 HydrophobicContact CG1-CB 4.44Å; V17-I36 HydrophobicContact CG2-CB 4.4Å; V17-I36 HydrophobicContact CG2-CG2 3.77Å; V17-W49 PolarHBondContact O-NE1 2.69Å; V17-L144 HydrophobicContact CG1-CB 4.18Å; V17-L144 HydrophobicContact CG1-CD2 4.08Å; V17-H145 WeakPolarHBondContact CA-O 3.49Å; V17-F146 HydrophobicContact CB-CE1 4.43Å; V17-F146 HydrophobicContact CG1-CD1 4.28Å; V17-F146 HydrophobicContact CG1-CD2 4.4Å; V17-F146 HydrophobicContact CG1-CE1 3.95Å; V17-F146 HydrophobicContact CG1-CE2 4.06Å; V17-F146 HydrophobicContact CG1-CG 4.49Å; V17-F146 HydrophobicContact CG1-CZ 3.82Å; V17-F146 HydrophobicContact CG2-CD1 3.61Å; V17-F146 HydrophobicContact CG2-CE1 3.55Å; V17-F146 HydrophobicContact CG2-CG 4.39Å; V17-F146 HydrophobicContact CG2-CZ 4.28Å
18Y81.6Confident67.4Low51 Ų5182.7 Ų82.720%0.240%0.4CS..EExtended strand (participates in β ladder)trans-96.7130.6-172.6-65.6-108.1000110.7G16 I32 P33 H145 H147G16-Y18 WeakPolarHBondContact O-CD2 3.38Å; Y18-I32 CarbonylContact C-O 3.43Å; Y18-I32 VanDerWaalsContact CA-O 3.24Å; Y18-I32 WeakPolarHBondContact CA-O 3.31Å; Y18-P33 HydrophobicContact CD1-CB 3.98Å; Y18-P33 HydrophobicContact CE1-CB 3.69Å; Y18-P33 HydrophobicContact CE1-CG 4.5Å; Y18-H145 PolarHBondContact N-O 3.16Å; Y18-H145 PolarHBondContact O-N 3.43Å; Y18-H147 HydrophobicContact CD2-CB 4Å; Y18-H147 AromaticContact CD2-CD2 3.88Å; Y18-H147 AromaticContact CD2-CG 3.65Å; Y18-H147 AromaticContact CD2-ND1 3.83Å; Y18-H147 HydrophobicContact CE2-CB 3.75Å; Y18-H147 AromaticContact CE2-CG 3.72Å; Y18-H147 AromaticContact CE2-ND1 3.73Å
19L80.2Confident65.8Low1 Ų185.2 Ų85.21%0.00542%0.415CS..EExtended strand (participates in β ladder)trans-93.2119.6175.1-175.2139.6000109.5T21 I32 W49 W107 F109 P142 L144L19-T21 HydrophobicContact CD2-CG2 3.69Å; L19-I32 PolarHBondContact N-O 2.73Å; L19-I32 PolarHBondContact O-N 3.37Å; L19-W49 HydrophobicContact CB-CD2 4.16Å; L19-W49 HydrophobicContact CB-CE3 4.22Å; L19-W49 HydrophobicContact CB-CH2 3.62Å; L19-W49 HydrophobicContact CB-CZ2 3.51Å; L19-W49 HydrophobicContact CB-CZ3 3.97Å; L19-W49 HydrophobicContact CD1-CD2 4.02Å; L19-W49 HydrophobicContact CD1-CE3 3.79Å; L19-W49 HydrophobicContact CD1-CZ3 4.1Å; L19-W49 HydrophobicContact CG-CZ3 4.48Å; L19-W107 HydrophobicContact CD2-CD2 4.4Å; L19-W107 HydrophobicContact CD2-CE3 3.73Å; L19-W107 HydrophobicContact CD2-CZ3 4.32Å; L19-F109 HydrophobicContact CD1-CD1 4.21Å; L19-F109 HydrophobicContact CD1-CE1 4.06Å; L19-P142 HydrophobicContact CD1-CB 4.03Å; L19-P142 HydrophobicContact CD1-CG 4.29Å; L19-P142 HydrophobicContact CD2-CB 3.96Å; L19-P142 HydrophobicContact CD2-CG 4.35Å; L19-P142 HydrophobicContact CG-CB 3.85Å; L19-P142 HydrophobicContact CG-CG 4.5Å; L19-L144 HydrophobicContact CD1-CD2 4.4Å
20H71.6Confident64.8Low54 Ų5483.5 Ų83.525%0.2541%0.414CS..EExtended strand (participates in β ladder)trans-87136.5-179.2-168.252.4000111.3T30 P143 H145H20-T30 PolarHBondContact CE1-OG1 2.94Å; H20-T30 PolarHBondContact ND1-O 3.09Å; H20-P143 HydrophobicContact CB-CB 4.34Å; H20-P143 PolarHBondContact N-O 3.2Å; H20-H145 AromaticContact CG-NE2 3.97Å
21T64.9Low64Low16 Ų1680.6 Ų80.610%0.09840%0.4CS..  trans-122.5134-177.274.80000111.7L19 A23 T30 I32 W107L19-T21 HydrophobicContact CD2-CG2 3.69Å; T21-A23 PolarHBondContact O-N 3.22Å; T21-T30 PolarHBondContact N-O 3.04Å; T21-T30 VanDerWaalsContact N-O 3.08Å; T21-I32 HydrophobicContact CG2-CD1 3.77Å; T21-I32 HydrophobicContact CG2-CG1 4.26Å; T21-W107 HydrophobicContact CG2-CD2 3.9Å; T21-W107 HydrophobicContact CG2-CE3 3.7Å; T21-W107 HydrophobicContact CG2-CH2 3.52Å; T21-W107 HydrophobicContact CG2-CZ2 3.71Å; T21-W107 HydrophobicContact CG2-CZ3 3.51Å
22N51Low63.7Low154 Ų15481 Ų8182%0.82440%0.402SS*.  trans-78.226.7173.3-73.2-3.5000112.4K24N22-K24 PolarHBondContact O-N 2.8Å; N22-K24 VanDerWaalsContact O-N 3.14Å
23A45.4Very low63.4Low54 Ų5481.5 Ų81.545%0.44641%0.409SS..  trans-80.894.7-17300000111.4T21 R25T21-A23 PolarHBondContact O-N 3.22Å; A23-R25 PolarHBondContact O-N 3.24Å
24K41.1Very low63.4Low156 Ų15677.3 Ų77.368%0.67839%0.39SS*.  trans-68.869.8170.6-71.2-171.6176.9-174.80112.6N22 D85N22-K24 PolarHBondContact O-N 2.8Å; N22-K24 VanDerWaalsContact O-N 3.14Å; K24-D85 IonicContact NZ-OD1 2.78Å; K24-D85 PolarHBondContact NZ-OD1 3.14Å; K24-D85 IonicContact NZ-OD2 2.75Å; K24-D85 PolarHBondContact NZ-OD2 2.94Å
25R36.2Very low63.6Low225 Ų22576.8 Ų76.885%0.84939%0.387SS*.  trans-145.3122169.9-74.3-167.7173.5-177.5-1.1112A23A23-R25 PolarHBondContact O-N 3.24Å
26S36.2Very low63.9Low102 Ų10272.7 Ų72.771%0.71337%0.368SS*.SBendtrans69.7169169.8-156.50000116.3Q28S26-Q28 VanDerWaalsContact C-N 3.26Å; S26-Q28 PolarHBondContact O-N 2.9Å
27I40.3Very low64.7Low178 Ų17874.6 Ų74.691%0.91338%0.375SS*.SBendtrans-92.457.7-175.8-53.4167.1000108.2
28Q41Very low65.2Low161 Ų16174.6 Ų74.675%0.75238%0.375SS*.SBendtrans-133.1160.4179.7-73.6-178.1-52.300110.4S26 T30S26-Q28 VanDerWaalsContact C-N 3.26Å; S26-Q28 PolarHBondContact O-N 2.9Å; Q28-T30 PolarHBondContact O-N 2.88Å
29E46.5Very low65.6Low157 Ų15772.2 Ų72.273%0.73437%0.365SS*.  trans-63.4130.7-162-57.3-174.5144.600112.9S31E29-S31 PolarHBondContact O-N 2.9Å; E29-S31 VanDerWaalsContact O-N 3.13Å
30T61.7Low65.9Low74 Ų7473.6 Ų73.645%0.45437%0.372SS..SBendtrans-74.61.5-179.354.80000113.7H20 T21 Q28H20-T30 PolarHBondContact CE1-OG1 2.94Å; H20-T30 PolarHBondContact ND1-O 3.09Å; T21-T30 PolarHBondContact N-O 3.04Å; T21-T30 VanDerWaalsContact N-O 3.08Å; Q28-T30 PolarHBondContact O-N 2.88Å
31S69Low66.4Low17 Ų1775.6 Ų75.612%0.11938%0.377CS..EExtended strand (participates in β ladder)trans-132.8109.9-175.153.50000110.4E29E29-S31 PolarHBondContact O-N 2.9Å; E29-S31 VanDerWaalsContact O-N 3.13Å
32I78.7Confident67.1Low36 Ų3679.1 Ų79.119%0.18541%0.408CS..EExtended strand (participates in β ladder)trans-86.4122.6-176-52.6176.4000108.8Y18 L19 T21 W49 P51 W107Y18-I32 CarbonylContact C-O 3.43Å; Y18-I32 VanDerWaalsContact CA-O 3.24Å; Y18-I32 WeakPolarHBondContact CA-O 3.31Å; L19-I32 PolarHBondContact N-O 2.73Å; L19-I32 PolarHBondContact O-N 3.37Å; T21-I32 HydrophobicContact CG2-CD1 3.77Å; T21-I32 HydrophobicContact CG2-CG1 4.26Å; I32-W49 HydrophobicContact CB-CH2 4.09Å; I32-W49 HydrophobicContact CG2-CH2 3.88Å; I32-W49 WeakPolarHBondContact O-CZ2 3.44Å; I32-P51 HydrophobicContact CG2-CB 4.14Å; I32-W107 HydrophobicContact CD1-CB 3.92Å; I32-W107 HydrophobicContact CD1-CD2 3.78Å; I32-W107 HydrophobicContact CD1-CG 3.38Å
33P81.1Confident68.3Low42 Ų4274.6 Ų74.627%0.27340%0.397SS..EExtended strand (participates in β ladder)trans-69.6145.6175.628.7-34.1000111.4Y18 P51 L52Y18-P33 HydrophobicContact CD1-CB 3.98Å; Y18-P33 HydrophobicContact CE1-CB 3.69Å; Y18-P33 HydrophobicContact CE1-CG 4.5Å; P33-P51 WeakPolarHBondContact O-CA 3.34Å; P33-L52 HydrophobicContact CB-CB 4.49Å; P33-L52 PolarHBondContact O-N 3.38Å
34G86.5Confident70.1Confident2 Ų279 Ų792%0.02141%0.408CS..EExtended strand (participates in β ladder)trans-170.9-172.1177.500000115.4G16 V17 S50G16-G34 PolarHBondContact N-O 3.01Å; V17-G34 PolarHBondContact N-O 3.23Å; V17-G34 CarbonylContact O-C 3.37Å; V17-G34 PolarHBondContact O-N 2.75Å; G34-S50 CarbonylContact C-O 3.58Å; G34-S50 WeakPolarHBondContact CA-O 3.46Å
35F86.3Confident72.4Confident43 Ų4372.9 Ų72.919%0.18939%0.385CS..EExtended strand (participates in β ladder)trans-107.6137.6177.4-59.8-94.2000109.8E13 K14 E15 R37 W49 S50 L52E13-F35 HydrophobicContact CG-CD1 4.1Å; K14-F35 WeakPolarHBondContact O-CA 3.21Å; E15-F35 HydrophobicContact CB-CD1 3.83Å; E15-F35 HydrophobicContact CB-CE1 3.72Å; E15-F35 HydrophobicContact CG-CD1 4.19Å; E15-F35 HydrophobicContact CG-CE1 3.78Å; E15-F35 HydrophobicContact CG-CZ 4.16Å; F35-R37 VanDerWaalsContact CG-NH2 3.27Å; F35-W49 VanDerWaalsContact O-CA 3.29Å; F35-W49 WeakPolarHBondContact O-CA 3.48Å; F35-W49 VanDerWaalsContact O-CD1 3.25Å; F35-S50 PolarHBondContact N-O 3.31Å; F35-S50 PolarHBondContact O-N 3.17Å; F35-L52 HydrophobicContact CE2-CD1 3.54Å; F35-L52 HydrophobicContact CZ-CD1 3.81Å
36I89.6Confident74.9Confident0 Ų062.7 Ų62.70%035%0.349CS..EExtended strand (participates in β ladder)trans-103.2138.9159.8-161.4162.5000109.7F12 E13 K14 V17 L47 E48 L144 F146 L154F12-I36 HydrophobicContact CE1-CG2 4.12Å; E13-I36 CarbonylContact C-O 3.57Å; E13-I36 WeakPolarHBondContact CA-O 3.43Å; K14-I36 HydrophobicContact CB-CG2 4.03Å; K14-I36 PolarHBondContact N-O 2.99Å; K14-I36 PolarHBondContact O-N 2.78Å; V17-I36 HydrophobicContact CB-CB 4.46Å; V17-I36 HydrophobicContact CB-CG2 4.36Å; V17-I36 HydrophobicContact CG1-CB 4.44Å; V17-I36 HydrophobicContact CG2-CB 4.4Å; V17-I36 HydrophobicContact CG2-CG2 3.77Å; I36-L47 HydrophobicContact CD1-CD1 3.94Å; I36-L47 HydrophobicContact CD1-CG 4.37Å; I36-L47 HydrophobicContact CG1-CD1 3.82Å; I36-L47 HydrophobicContact CG1-CG 4.43Å; I36-E48 CarbonylContact C-O 3.59Å; I36-E48 WeakPolarHBondContact CA-O 3.33Å; I36-L144 HydrophobicContact CD1-CD1 3.79Å; I36-F146 HydrophobicContact CD1-CZ 4.39Å; I36-F146 HydrophobicContact CG2-CE1 4.35Å; I36-L154 HydrophobicContact CD1-CD2 3.93Å; I36-L154 HydrophobicContact CG2-CD1 4.5Å; I36-L154 HydrophobicContact CG2-CD2 4.43Å
37R91.3Very high77.5Confident44 Ų4457.8 Ų57.817%0.16632%0.315CS..EExtended strand (participates in β ladder)trans-133.8148.6-177.5-63-179-178.690.611.6111.1L10 F12 E13 F35 V39 L47 E48 S50L10-R37 HydrophobicContact CD1-CB 4.1Å; L10-R37 HydrophobicContact CD1-CG 4.16Å; F12-R37 CarbonylContact O-C 3.6Å; F12-R37 WeakPolarHBondContact O-CA 3.42Å; E13-R37 HydrophobicContact CB-CG 4.23Å; E13-R37 HydrophobicContact CG-CG 4.07Å; E13-R37 IonicContact OE1-CZ 2.71Å; E13-R37 IonicContact OE1-NE 3.93Å; E13-R37 PolarHBondContact OE1-NE 3.33Å; E13-R37 IonicContact OE1-NH2 2.66Å; E13-R37 PolarHBondContact OE1-NH2 3.41Å; F35-R37 VanDerWaalsContact CG-NH2 3.27Å; R37-V39 HydrophobicContact CB-CG1 4.1Å; R37-L47 WeakPolarHBondContact O-CA 3.22Å; R37-E48 HydrophobicContact CB-CB 4.5Å; R37-E48 PolarHBondContact N-O 2.69Å; R37-E48 PolarHBondContact O-N 2.72Å; R37-S50 PolarHBondContact NH1-OG 3.2Å
38I89.5Confident79.8Confident0 Ų050.3 Ų50.30%028%0.276CS..EExtended strand (participates in β ladder)trans-110.2121.9158.1-58.3171.3000106.6I11 F12 A46 L47 L113 L154 A157 L158 Y161I11-I38 HydrophobicContact CB-CB 4.18Å; I11-I38 HydrophobicContact CB-CG2 4.02Å; I11-I38 WeakPolarHBondContact CB-O 3.49Å; I11-I38 HydrophobicContact CG1-CG2 4.32Å; I11-I38 HydrophobicContact CG2-CG2 4.48Å; I11-I38 PolarHBondContact N-O 3.04Å; F12-I38 HydrophobicContact CB-CB 4.11Å; F12-I38 HydrophobicContact CB-CD1 4.2Å; F12-I38 HydrophobicContact CB-CG1 4.22Å; F12-I38 PolarHBondContact N-O 3.39Å; F12-I38 PolarHBondContact O-N 3.4Å; I38-A46 WeakPolarHBondContact CA-O 3.23Å; I38-L47 HydrophobicContact CG1-CD1 3.81Å; I38-L113 HydrophobicContact CG2-CD1 4.42Å; I38-L154 HydrophobicContact CD1-CD1 3.92Å; I38-L154 HydrophobicContact CG1-CD1 4.07Å; I38-A157 HydrophobicContact CD1-CB 3.63Å; I38-L158 HydrophobicContact CD1-CB 4.49Å; I38-L158 HydrophobicContact CD1-CD2 3.7Å; I38-L158 HydrophobicContact CD1-CG 3.8Å; I38-L158 HydrophobicContact CG1-CD2 4.33Å; I38-Y161 HydrophobicContact CG2-CE2 4.2Å
39V88.8Confident82.1Confident0 Ų042.7 Ų42.70%024%0.24CC..EExtended strand (participates in β ladder)trans-120.4146.4179.5-550000109.5Y8 L10 R37 R41 P45 A46 E48Y8-V39 HydrophobicContact CE2-CB 3.87Å; Y8-V39 HydrophobicContact CE2-CG1 3.78Å; Y8-V39 HydrophobicContact CE2-CG2 4.45Å; Y8-V39 WeakPolarHBondContact OH-CG1 3.48Å; L10-V39 HydrophobicContact CD1-CG1 3.96Å; R37-V39 HydrophobicContact CB-CG1 4.1Å; V39-R41 HydrophobicContact CG2-CG 4.13Å; V39-P45 CarbonylContact O-C 3.58Å; V39-P45 WeakPolarHBondContact O-CA 3.35Å; V39-A46 HydrophobicContact CG2-CB 4.31Å; V39-A46 PolarHBondContact N-O 3.41Å; V39-A46 PolarHBondContact O-N 2.74Å; V39-E48 VanDerWaalsContact CG2-CD 3.44Å; V39-E48 HydrophobicContact CG2-CG 3.84Å
40E86.4Confident84Confident31 Ų3136.6 Ų36.615%0.14522%0.215CC..EExtended strand (participates in β ladder)trans-113.9117.4172.5-173.7168-10500106.7K9 I11 Q44 Y161K9-E40 HydrophobicContact CB-CB 4.3Å; K9-E40 WeakPolarHBondContact CD-OE2 3.33Å; K9-E40 WeakPolarHBondContact CE-OE2 3.01Å; K9-E40 PolarHBondContact N-O 3.49Å; K9-E40 IonicContact NZ-OE2 3.31Å; K9-E40 PolarHBondContact NZ-OE2 3.2Å; K9-E40 PolarHBondContact O-N 2.71Å; I11-E40 HydrophobicContact CD1-CB 4.06Å; I11-E40 HydrophobicContact CG1-CB 4.06Å; E40-Q44 WeakPolarHBondContact CA-O 3.38Å; E40-Y161 WeakPolarHBondContact OE1-CE1 3.34Å; E40-Y161 PolarHBondContact OE1-OH 2.82Å
41R83.7Confident85Confident96 Ų9634.9 Ų34.936%0.36221%0.205SC..EExtended strand (participates in β ladder)trans-119.4117.1-179.6-57.6-176.9-170.4-1123.8108Y8 V39 G43 Q44 E48Y8-R41 HydrophobicContact CD2-CG 4.1Å; V39-R41 HydrophobicContact CG2-CG 4.13Å; R41-G43 PolarHBondContact O-N 3.28Å; R41-G43 VanDerWaalsContact O-N 3.13Å; R41-Q44 PolarHBondContact N-O 3Å; R41-Q44 PolarHBondContact O-N 3.49Å; R41-E48 IonicContact CZ-OE1 2.88Å; R41-E48 IonicContact CZ-OE2 2.86Å; R41-E48 IonicContact NE-OE1 2.61Å; R41-E48 PolarHBondContact NE-OE1 2.76Å; R41-E48 VanDerWaalsContact NH2-CD 3.28Å; R41-E48 IonicContact NH2-OE1 3.3Å; R41-E48 PolarHBondContact NH2-OE1 2.79Å; R41-E48 IonicContact NH2-OE2 3.5Å; R41-E48 PolarHBondContact NH2-OE2 3.06Å
42A79.4Confident85.4Confident90 Ų9038.2 Ų38.274%0.74422%0.221SC*.THydrogen-bonded Turntrans49.738.4-177.900000113.9D7 Q44D7-A42 PolarHBondContact O-N 2.91Å; D7-A42 VanDerWaalsContact O-N 3.1Å; A42-Q44 VanDerWaalsContact C-N 3.33Å; A42-Q44 PolarHBondContact O-N 2.91Å
43G75.5Confident84.8Confident58 Ų5841.5 Ų41.560%0.59824%0.236SC*.THydrogen-bonded Turntrans79.21.9-178.400000116R41R41-G43 PolarHBondContact O-N 3.28Å; R41-G43 VanDerWaalsContact O-N 3.13Å
44Q83.2Confident82.9Confident146 Ų14647 Ų4768%0.68226%0.263SS*.EExtended strand (participates in β ladder)trans-100.1120.8173.2-64.7-168.5-9.800110.9E40 R41 A42E40-Q44 WeakPolarHBondContact CA-O 3.38Å; R41-Q44 PolarHBondContact N-O 3Å; R41-Q44 PolarHBondContact O-N 3.49Å; A42-Q44 VanDerWaalsContact C-N 3.33Å; A42-Q44 PolarHBondContact O-N 2.91Å
45P89.4Confident80.6Confident29 Ų2956.4 Ų56.419%0.18831%0.306CS..EExtended strand (participates in β ladder)trans-86.6132.517834.4-35.1000111.8V39 L113 Y161V39-P45 CarbonylContact O-C 3.58Å; V39-P45 WeakPolarHBondContact O-CA 3.35Å; P45-L113 HydrophobicContact CB-CD1 3.96Å; P45-L113 HydrophobicContact CB-CG 4.32Å; P45-L113 HydrophobicContact CG-CB 4.34Å; P45-L113 HydrophobicContact CG-CD1 4.3Å; P45-L113 PolarHBondContact O-N 2.67Å; P45-Y161 HydrophobicContact CB-CD1 3.77Å; P45-Y161 HydrophobicContact CB-CD2 4.06Å; P45-Y161 HydrophobicContact CB-CE1 3.74Å; P45-Y161 HydrophobicContact CB-CE2 4.04Å; P45-Y161 HydrophobicContact CB-CG 3.91Å; P45-Y161 HydrophobicContact CG-CD1 3.57Å; P45-Y161 HydrophobicContact CG-CE1 3.92Å; P45-Y161 HydrophobicContact CG-CG 3.89Å
46A88.9Confident78.4Confident10 Ų1057.2 Ų57.28%0.08333%0.327CS..EExtended strand (participates in β ladder)trans-130.9146.7177.300000111.7I38 V39 E48 L111I38-A46 WeakPolarHBondContact CA-O 3.23Å; V39-A46 HydrophobicContact CG2-CB 4.31Å; V39-A46 PolarHBondContact N-O 3.41Å; V39-A46 PolarHBondContact O-N 2.74Å; A46-E48 HydrophobicContact CB-CG 4.49Å; A46-L111 CarbonylContact C-O 3.55Å; A46-L111 WeakPolarHBondContact CA-O 3.47Å
47L90.6Very high75.7Confident0 Ų067.9 Ų67.90%037%0.367CS..EExtended strand (participates in β ladder)trans-95.7116.7170-17769.3000108.7I36 R37 I38 L111 L113 L133 L154I36-L47 HydrophobicContact CD1-CD1 3.94Å; I36-L47 HydrophobicContact CD1-CG 4.37Å; I36-L47 HydrophobicContact CG1-CD1 3.82Å; I36-L47 HydrophobicContact CG1-CG 4.43Å; R37-L47 WeakPolarHBondContact O-CA 3.22Å; I38-L47 HydrophobicContact CG1-CD1 3.81Å; L47-L111 PolarHBondContact N-O 3.35Å; L47-L111 PolarHBondContact O-N 3.29Å; L47-L113 HydrophobicContact CB-CD2 3.77Å; L47-L133 HydrophobicContact CD2-CD1 3.47Å; L47-L133 VanDerWaalsContact CD2-CD1 3.47Å; L47-L154 HydrophobicContact CD1-CD1 3.83Å
48E89.5Confident73Confident20 Ų2071.9 Ų71.99%0.09340%0.402CS..EExtended strand (participates in β ladder)trans-114.8143-177.2-50.2-164.3144.900110.5I36 R37 V39 R41 A46 F109 S110I36-E48 CarbonylContact C-O 3.59Å; I36-E48 WeakPolarHBondContact CA-O 3.33Å; R37-E48 HydrophobicContact CB-CB 4.5Å; R37-E48 PolarHBondContact N-O 2.69Å; R37-E48 PolarHBondContact O-N 2.72Å; V39-E48 VanDerWaalsContact CG2-CD 3.44Å; V39-E48 HydrophobicContact CG2-CG 3.84Å; R41-E48 IonicContact CZ-OE1 2.88Å; R41-E48 IonicContact CZ-OE2 2.86Å; R41-E48 IonicContact NE-OE1 2.61Å; R41-E48 PolarHBondContact NE-OE1 2.76Å; R41-E48 VanDerWaalsContact NH2-CD 3.28Å; R41-E48 IonicContact NH2-OE1 3.3Å; R41-E48 PolarHBondContact NH2-OE1 2.79Å; R41-E48 IonicContact NH2-OE2 3.5Å; R41-E48 PolarHBondContact NH2-OE2 3.06Å; A46-E48 HydrophobicContact CB-CG 4.49Å; E48-F109 CarbonylContact C-O 3.59Å; E48-F109 VanDerWaalsContact CA-O 3.26Å; E48-F109 WeakPolarHBondContact CA-O 3.46Å; E48-S110 WeakPolarHBondContact CG-OG 3.2Å; E48-S110 PolarHBondContact OE1-OG 2.87Å
49W89.3Confident70.2Confident1 Ų175 Ų750%0.00443%0.428CS..EExtended strand (participates in β ladder)trans-124.8136.7165.2-173.593.8000109.5V17 L19 I32 F35 P51 W107 A108 F109 L144V17-W49 PolarHBondContact O-NE1 2.69Å; L19-W49 HydrophobicContact CB-CD2 4.16Å; L19-W49 HydrophobicContact CB-CE3 4.22Å; L19-W49 HydrophobicContact CB-CH2 3.62Å; L19-W49 HydrophobicContact CB-CZ2 3.51Å; L19-W49 HydrophobicContact CB-CZ3 3.97Å; L19-W49 HydrophobicContact CD1-CD2 4.02Å; L19-W49 HydrophobicContact CD1-CE3 3.79Å; L19-W49 HydrophobicContact CD1-CZ3 4.1Å; L19-W49 HydrophobicContact CG-CZ3 4.48Å; I32-W49 HydrophobicContact CB-CH2 4.09Å; I32-W49 HydrophobicContact CG2-CH2 3.88Å; I32-W49 WeakPolarHBondContact O-CZ2 3.44Å; F35-W49 VanDerWaalsContact O-CA 3.29Å; F35-W49 WeakPolarHBondContact O-CA 3.48Å; F35-W49 VanDerWaalsContact O-CD1 3.25Å; W49-P51 HydrophobicContact CH2-CB 4.1Å; W49-P51 HydrophobicContact CZ3-CB 4.24Å; W49-W107 VanDerWaalsContact CE3-O 3.25Å; W49-W107 HydrophobicContact CZ3-CB 4.15Å; W49-W107 VanDerWaalsContact CZ3-O 3.24Å; W49-W107 WeakPolarHBondContact CZ3-O 3.27Å; W49-A108 CarbonylContact O-C 3.5Å; W49-A108 WeakPolarHBondContact O-CA 3.32Å; W49-A108 WeakPolarHBondContact O-CB 3.21Å; W49-F109 HydrophobicContact CB-CD1 3.89Å; W49-F109 HydrophobicContact CB-CE1 3.44Å; W49-F109 VanDerWaalsContact CB-CE1 3.44Å; W49-F109 HydrophobicContact CB-CE2 4.18Å; W49-F109 HydrophobicContact CB-CG 4.44Å; W49-F109 HydrophobicContact CB-CZ 3.59Å; W49-F109 HydrophobicContact CG-CE1 4.22Å; W49-F109 PolarHBondContact N-O 3.16Å; W49-F109 PolarHBondContact O-N 2.79Å; W49-L144 HydrophobicContact CG-CD2 4.15Å
50S85.4Confident67.5Low30 Ų3079.9 Ų79.921%0.2146%0.459CS..EExtended strand (participates in β ladder)trans-132.9148173.578.10000110.6G34 F35 R37G34-S50 CarbonylContact C-O 3.58Å; G34-S50 WeakPolarHBondContact CA-O 3.46Å; F35-S50 PolarHBondContact N-O 3.31Å; F35-S50 PolarHBondContact O-N 3.17Å; R37-S50 PolarHBondContact NH1-OG 3.2Å
51P82.1Confident64.9Low37 Ų3781.5 Ų81.524%0.2448%0.477CS..EExtended strand (participates in β ladder)trans-62.1162.3170.329.2-35.6000111.3I32 P33 W49 E53I32-P51 HydrophobicContact CG2-CB 4.14Å; P33-P51 WeakPolarHBondContact O-CA 3.34Å; W49-P51 HydrophobicContact CH2-CB 4.1Å; W49-P51 HydrophobicContact CZ3-CB 4.24Å; P51-E53 PolarHBondContact O-N 2.78Å
52L77.4Confident62.5Low88 Ų8879.7 Ų79.746%0.46148%0.477SS..  trans-80.6102.7165.9-179.864.3000107.8P33 F35P33-L52 HydrophobicContact CB-CB 4.49Å; P33-L52 PolarHBondContact O-N 3.38Å; F35-L52 HydrophobicContact CE2-CD1 3.54Å; F35-L52 HydrophobicContact CZ-CD1 3.81Å
53E66.9Low60Low105 Ų10582.6 Ų82.649%0.49148%0.479SS..  trans-70.4132178.2-72.4-176.5-170.900111.3P51P51-E53 PolarHBondContact O-N 2.78Å
54D40.8Very low57.8Low157 Ų15787.7 Ų87.784%0.8448%0.482SS*.  trans-75.2154.8159.8-164.76.9000109.1G56D54-G56 PolarHBondContact O-N 3.48Å
55E38.3Very low55.1Low200 Ų20086 Ų8694%0.93549%0.486SS*.SBendtrans-56.598.3-153.7-73.1-16215300116.1
56G39.9Very low52.1Low60 Ų6091.2 Ų91.262%0.61951%0.506SS*.  trans109.388.7145.400000117.9D54D54-G56 PolarHBondContact O-N 3.48Å
57R32.5Very low49.2Very low224 Ų224100 Ų10085%0.84554%0.542SS*.  trans-170.698.5143.1-100.1148.5-168.9-142.67.3111.5A59R57-A59 PolarHBondContact O-N 3.27Å
58S35.2Very low46.4Very low128 Ų128105.8 Ų105.890%0.89557%0.573SS**  trans-52.8112.3177.9-50.20000112.9
59A31.2Very low43.5Very low66 Ų66107.8 Ų107.855%0.54560%0.599SS.*PPolyproline II helixtrans-92.5145.3176.600000112.5R57R57-A59 PolarHBondContact O-N 3.27Å
60P32.4Very low40.5Very low101 Ų101117 Ų11766%0.65664%0.642SS**PPolyproline II helixtrans-78.6144175.632.2-34.4000112
61A32.1Very low38Very low65 Ų65119.8 Ų119.854%0.53768%0.675SS.*PPolyproline II helixtrans-70.2142.4174.100000111.8
62V31.8Very low35.4Very low58 Ų58121.8 Ų121.835%0.35270%0.703SS.*  trans-88.9112.8174.8179.10000109.2Y64V62-Y64 HydrophobicContact CG1-CE2 4.49Å
63L27.7Very low33.1Very low152 Ų152126.8 Ų126.880%0.79672%0.724SS**BIsolated β-bridgetrans-80.3117.5169.2-77.9162.6000109.7S65L63-S65 PolarHBondContact O-N 3.34Å
64Y28.8Very low31.2Very low165 Ų165130.2 Ų130.265%0.64774%0.739SS**  trans-73.9114.3163-87.5-96.6000108.9V62V62-Y64 HydrophobicContact CG1-CE2 4.49Å
65S26.8Very low30.4Very low110 Ų110129.9 Ų129.977%0.76974%0.738SS**  trans-98.2132.7168.7-1770000109.7L63L63-S65 PolarHBondContact O-N 3.34Å
66K26.2Very low30.1Very low138 Ų138126.7 Ų126.760%0.673%0.732SS**  trans-51.1138.9167.8-170.9165.6178-83.70110.5D68K66-D68 IonicContact NZ-OD1 3.78Å; K66-D68 PolarHBondContact NZ-OD1 2.78Å; K66-D68 IonicContact NZ-OD2 3.13Å
67K28Very low29.5Very low195 Ų195131.6 Ų131.685%0.84874%0.744SS**  trans-116.3111.1174.3-174-171.4176.5-165.70108.5
68D31.6Very low29.2Very low122 Ų122130.2 Ų130.265%0.65275%0.745SS**  trans-87.1145.5-179.1-67.6-54.5000112.5K66K66-D68 IonicContact NZ-OD1 3.78Å; K66-D68 PolarHBondContact NZ-OD1 2.78Å; K66-D68 IonicContact NZ-OD2 3.13Å
69G28.4Very low28.7Very low61 Ų61130.2 Ų130.263%0.62974%0.735SS**  trans81.1145.1172.400000116.1
70E27.9Very low28.7Very low196 Ų196132.9 Ų132.992%0.91675%0.746SS**  cis-153156.2-8.5-72.6-173.7116.300109.3
71G32.7Very low28.4Very low88 Ų88130.9 Ų130.991%0.90774%0.744SS**  trans56.3108.1150.600000120.4
72G26Very low28.2Very low79 Ų79133.2 Ų133.281%0.81474%0.74SS**  trans175.3100.9164.500000114.4
73E29.7Very low28.2Very low193 Ų193136.4 Ų136.490%0.90275%0.751SS**  trans-75.8159.6154.4-59.5164.8136.500107.1
74E26.2Very low28.6Very low176 Ų176133.7 Ų133.782%0.82274%0.742SS**  cis-146.8-172.530.3-66172.7115.100112.2
75D25.5Very low28.9Very low150 Ų150131.7 Ų131.780%0.80274%0.743SS**  trans63.697.5155.2-77.66.3000121.5
76T32.1Very low29.3Very low134 Ų134137.4 Ų137.482%0.82275%0.747SS**  trans-73.5114155.751.60000112
77N27.1Very low29.4Very low163 Ų163135.5 Ų135.587%0.87276%0.757SS**  trans-162.1123153-99.7-43.2000110.8
78F25.3Very low29.3Very low195 Ų195132.6 Ų132.686%0.85576%0.756SS**  trans-149128.8158.2-163.7-100.2000112
79D26.3Very low29.1Very low128 Ų128134.4 Ų134.468%0.68476%0.764SS**  trans-101.8123.9-176.1174.723.6000109.9G81D79-G81 PolarHBondContact O-N 2.89Å
80P30.7Very low28.8Very low122 Ų122136.1 Ų136.179%0.79277%0.766SS**  trans-79.660.2-173.933.3-36.6000113.8
81G25.2Very low28.7Very low58 Ų58133.5 Ų133.560%0.59876%0.764SS**  trans-10487.1-174.900000117.2D79D79-G81 PolarHBondContact O-N 2.89Å
82Y29Very low28.3Very low115 Ų115135.7 Ų135.745%0.45176%0.759SS.*  trans54.4103.2139.1-157.7-102.8000122.6
83E32Very low28.3Very low125 Ų125139 Ų13958%0.58475%0.751SS**  trans63179.7135-96.9-175.6-144.200121.5
84P35.8Very low28.1Very low94 Ų94139.7 Ų139.761%0.6175%0.751SS**  cis-129.5-177-32.732-13.2000114W86P84-W86 PolarHBondContact O-N 3.25Å
85D34.9Very low28.2Very low124 Ų124136.8 Ų136.866%0.66374%0.741SS**  trans-91.486.3-178.7-91.4-58.9000115.7K24K24-D85 IonicContact NZ-OD1 2.78Å; K24-D85 PolarHBondContact NZ-OD1 3.14Å; K24-D85 IonicContact NZ-OD2 2.75Å; K24-D85 PolarHBondContact NZ-OD2 2.94Å
86W35.9Very low28.3Very low229 Ų229141 Ų14187%0.86775%0.746SS**  trans-170.9117.7145.847.8-88.5000114P84P84-W86 PolarHBondContact O-N 3.25Å
87A27Very low27.9Very low98 Ų98144 Ų14481%0.8175%0.75SS**  trans-174.6145.5153.700000110
88V26.2Very low27.8Very low135 Ų135145.3 Ų145.382%0.81875%0.751SS**  trans-144.8144.1176.4-1620000109.4
89I26.8Very low27.8Very low159 Ų159140.1 Ų140.182%0.81574%0.744SS**  trans72125177-46.1-174.6000112.9
90S23.6Very low27.7Very low97 Ų97140 Ų14068%0.67875%0.75SS**  cis-166.7154.1-9.4530000111.3
91T24.6Very low27.5Very low141 Ų141142.6 Ų142.687%0.86575%0.754SS**  trans-158.5134.7133.8160000113.2
92V24.3Very low27.4Very low134 Ų134149 Ų14981%0.81277%0.765SS**  trans-6.9117.7168.2-172.10000119.5
93K27.3Very low27.7Very low150 Ų150151.4 Ų151.465%0.65279%0.786SS**  trans10.3137.7142.9-76.6170.3164.2-84.80119.4D95K93-D95 IonicContact NZ-OD1 2.65Å; K93-D95 PolarHBondContact NZ-OD1 3.15Å; K93-D95 IonicContact NZ-OD2 2.69Å; K93-D95 PolarHBondContact NZ-OD2 2.75Å
94K25.1Very low27.8Very low207 Ų207149.4 Ų149.490%0.979%0.786SS**  -131.9117.7123.1-156.7170.1-170.4174.80109.5
95D27.9Very low28.3Very low114 Ų114148.9 Ų148.961%0.6180%0.797SS**  trans-70.1137.6-174.4-65.2-63.1000111.9K93K93-D95 IonicContact NZ-OD1 2.65Å; K93-D95 PolarHBondContact NZ-OD1 3.15Å; K93-D95 IonicContact NZ-OD2 2.69Å; K93-D95 PolarHBondContact NZ-OD2 2.75Å
96R26.6Very low29.4Very low240 Ų240147.3 Ų147.391%0.90679%0.786SS**  trans-134.3149.1158.7-101.1-177.4165.9172.2-4.9108.6
97E25.2Very low30.9Very low196 Ų196142 Ų14292%0.91677%0.766SS**  trans-76.9150.3-154.2-63.7169.2130.800113.4A99E97-A99 PolarHBondContact O-N 3Å
98H25.1Very low33.2Very low190 Ų190139.2 Ų139.288%0.8874%0.743SS**  trans-75.5111.4177.6-75.243.4000110.5
99A24.2Very low35.9Very low86 Ų86133.8 Ų133.871%0.71171%0.709SS**PPolyproline II helixtrans-66.2143.7153.600000109.1E97E97-A99 PolarHBondContact O-N 3Å
100P25Very low38.7Very low125 Ų125126.7 Ų126.781%0.81267%0.673SS**PPolyproline II helixtrans-67139.2-174.326.7-34.6000112
101M25.8Very low41.7Very low178 Ų178122.7 Ų122.788%0.87764%0.644SS**PPolyproline II helixtrans-58.8137.1172.6-73.2176.9165.900111.2
102K24.1Very low44.8Very low192 Ų192117.6 Ų117.684%0.83561%0.613SS**  trans-114.9114.4152.1-79.3-171.8174-1760108.1S104K102-S104 PolarHBondContact O-N 3.11Å
103D35.3Very low47.8Very low166 Ų166111.4 Ų111.489%0.88858%0.576SS**  trans-60.3132.5161.4-79.1-50.1000109.2
104S33.1Very low50.5Low82 Ų82108 Ų10857%0.57357%0.57SS**  trans-149.3102172390000109.2K102 Q106K102-S104 PolarHBondContact O-N 3.11Å; S104-Q106 PolarHBondContact O-N 3.46Å
105G46.9Very low53.3Low83 Ų83100.7 Ų100.786%0.85654%0.54SS*.  trans-75.359171.600000111.4
106Q57.3Low56.1Low92 Ų9295.3 Ų95.343%0.4351%0.511SS..  trans-116.287.8-173.6-69.2-176.5-7400110.6S104 A108S104-Q106 PolarHBondContact O-N 3.46Å; Q106-A108 VanDerWaalsContact C-N 3.32Å
107W66.5Low58.8Low116 Ų11689.5 Ų89.544%0.43949%0.49SS..  trans-905.3171.8-74107.2000113.6L19 T21 I32 W49L19-W107 HydrophobicContact CD2-CD2 4.4Å; L19-W107 HydrophobicContact CD2-CE3 3.73Å; L19-W107 HydrophobicContact CD2-CZ3 4.32Å; T21-W107 HydrophobicContact CG2-CD2 3.9Å; T21-W107 HydrophobicContact CG2-CE3 3.7Å; T21-W107 HydrophobicContact CG2-CH2 3.52Å; T21-W107 HydrophobicContact CG2-CZ2 3.71Å; T21-W107 HydrophobicContact CG2-CZ3 3.51Å; I32-W107 HydrophobicContact CD1-CB 3.92Å; I32-W107 HydrophobicContact CD1-CD2 3.78Å; I32-W107 HydrophobicContact CD1-CG 3.38Å; W49-W107 VanDerWaalsContact CE3-O 3.25Å; W49-W107 HydrophobicContact CZ3-CB 4.15Å; W49-W107 VanDerWaalsContact CZ3-O 3.24Å; W49-W107 WeakPolarHBondContact CZ3-O 3.27Å
108A76.6Confident61.6Low41 Ų4180.4 Ų80.434%0.33945%0.448SS..  trans-81.5148.2177.200000112.3W49 Q106W49-A108 CarbonylContact O-C 3.5Å; W49-A108 WeakPolarHBondContact O-CA 3.32Å; W49-A108 WeakPolarHBondContact O-CB 3.21Å; Q106-A108 VanDerWaalsContact C-N 3.32Å
109F83.3Confident64.4Low21 Ų2171.5 Ų71.59%0.09241%0.407CS..EExtended strand (participates in β ladder)trans-136.4157.3171.570.1-105000111.8L19 E48 W49 L111 L141 L144L19-F109 HydrophobicContact CD1-CD1 4.21Å; L19-F109 HydrophobicContact CD1-CE1 4.06Å; E48-F109 CarbonylContact C-O 3.59Å; E48-F109 VanDerWaalsContact CA-O 3.26Å; E48-F109 WeakPolarHBondContact CA-O 3.46Å; W49-F109 HydrophobicContact CB-CD1 3.89Å; W49-F109 HydrophobicContact CB-CE1 3.44Å; W49-F109 VanDerWaalsContact CB-CE1 3.44Å; W49-F109 HydrophobicContact CB-CE2 4.18Å; W49-F109 HydrophobicContact CB-CG 4.44Å; W49-F109 HydrophobicContact CB-CZ 3.59Å; W49-F109 HydrophobicContact CG-CE1 4.22Å; W49-F109 PolarHBondContact N-O 3.16Å; W49-F109 PolarHBondContact O-N 2.79Å; F109-L111 HydrophobicContact CD2-CB 4.47Å; F109-L141 HydrophobicContact CD2-CD1 3.94Å; F109-L141 HydrophobicContact CE1-CD1 4.3Å; F109-L141 HydrophobicContact CE2-CD1 3.73Å; F109-L141 HydrophobicContact CG-CD1 4.35Å; F109-L141 HydrophobicContact CZ-CD1 3.93Å; F109-L144 HydrophobicContact CE1-CD2 4.33Å; F109-L144 HydrophobicContact CZ-CD1 4.27Å
110S85.9Confident66.9Low10 Ų1073.1 Ų73.17%0.0740%0.395CS..EExtended strand (participates in β ladder)trans-132.8121.8167.2-175.40000108.1E48E48-S110 WeakPolarHBondContact CG-OG 3.2Å; E48-S110 PolarHBondContact OE1-OG 2.87Å
111L86.6Confident69.1Low12 Ų1269 Ų696%0.06336%0.363CS..EExtended strand (participates in β ladder)trans-119.4114.1-179.2176.467.5000109.2A46 L47 F109 L113 E115 L116 L141A46-L111 CarbonylContact C-O 3.55Å; A46-L111 WeakPolarHBondContact CA-O 3.47Å; L47-L111 PolarHBondContact N-O 3.35Å; L47-L111 PolarHBondContact O-N 3.29Å; F109-L111 HydrophobicContact CD2-CB 4.47Å; L111-L113 PolarHBondContact O-N 2.8Å; L111-E115 HydrophobicContact CD1-CB 4.01Å; L111-L116 HydrophobicContact CD2-CB 4.19Å; L111-L116 HydrophobicContact CD2-CD1 3.76Å; L111-L141 HydrophobicContact CB-CD1 4.48Å; L111-L141 HydrophobicContact CD2-CD1 3.98Å
112P88.8Confident70.6Confident34 Ų3461.7 Ų61.722%0.22133%0.33CS..EExtended strand (participates in β ladder)trans-57135.3171.3-2333.9000110.8S114 E115 L116P112-S114 PolarHBondContact O-N 3.02Å; P112-E115 HydrophobicContact CB-CB 4.45Å; P112-E115 HydrophobicContact CB-CG 4.26Å; P112-E115 HydrophobicContact CG-CG 4.44Å; P112-E115 WeakPolarHBondContact O-CA 2.95Å; P112-E115 PolarHBondContact O-N 3.06Å; P112-L116 PolarHBondContact O-N 2.65Å
113L88.2Confident71.4Confident5 Ų557.7 Ų57.73%0.02631%0.31CS..G310 helixtrans-65.7-22.6-177.4-64.3-172.4000112.9I38 P45 L47 L111 E115 L116 L158 Y161 I162I38-L113 HydrophobicContact CG2-CD1 4.42Å; P45-L113 HydrophobicContact CB-CD1 3.96Å; P45-L113 HydrophobicContact CB-CG 4.32Å; P45-L113 HydrophobicContact CG-CB 4.34Å; P45-L113 HydrophobicContact CG-CD1 4.3Å; P45-L113 PolarHBondContact O-N 2.67Å; L47-L113 HydrophobicContact CB-CD2 3.77Å; L111-L113 PolarHBondContact O-N 2.8Å; L113-E115 VanDerWaalsContact C-N 3.25Å; L113-E115 PolarHBondContact O-N 3.12Å; L113-L116 PolarHBondContact O-N 3.45Å; L113-L158 HydrophobicContact CD1-CD2 3.9Å; L113-L158 HydrophobicContact CD2-CD2 3.5Å; L113-L158 VanDerWaalsContact CD2-CD2 3.5Å; L113-L158 HydrophobicContact CG-CD2 4.39Å; L113-Y161 HydrophobicContact CD1-CD2 3.67Å; L113-Y161 HydrophobicContact CD1-CG 3.89Å; L113-I162 HydrophobicContact CB-CG2 4.26Å
114S84.1Confident71.7Confident77 Ų7754.6 Ų54.654%0.53829%0.289SS..G310 helixtrans-66.4-22.4169.649.50000114P112 R136P112-S114 PolarHBondContact O-N 3.02Å; S114-R136 WeakPolarHBondContact O-CD 3.46Å; S114-R136 PolarHBondContact O-NE 2.97Å
115E83.9Confident71.9Confident55 Ų5556.2 Ų56.226%0.25730%0.3SS..G310 helixtrans-98.3-3.4178.1-65.5-162.5156.100113.4L111 P112 L113 S135 R136L111-E115 HydrophobicContact CD1-CB 4.01Å; P112-E115 HydrophobicContact CB-CB 4.45Å; P112-E115 HydrophobicContact CB-CG 4.26Å; P112-E115 HydrophobicContact CG-CG 4.44Å; P112-E115 WeakPolarHBondContact O-CA 2.95Å; P112-E115 PolarHBondContact O-N 3.06Å; L113-E115 VanDerWaalsContact C-N 3.25Å; L113-E115 PolarHBondContact O-N 3.12Å; E115-S135 CarbonylContact O-C 3.49Å; E115-S135 VanDerWaalsContact O-CA 3.24Å; E115-S135 WeakPolarHBondContact O-CA 3.23Å; E115-R136 WeakPolarHBondContact O-CG 3.37Å; E115-R136 PolarHBondContact O-N 3.43Å
116L85.3Confident71.5Confident0 Ų059.6 Ų59.60%030%0.298CS..EExtended strand (participates in β ladder)trans-71.7133.5170.8-17463.2000109.7L111 P112 L113 L133 R136 I162 V176L111-L116 HydrophobicContact CD2-CB 4.19Å; L111-L116 HydrophobicContact CD2-CD1 3.76Å; P112-L116 PolarHBondContact O-N 2.65Å; L113-L116 PolarHBondContact O-N 3.45Å; L116-L133 HydrophobicContact CD1-CB 4Å; L116-L133 HydrophobicContact CD1-CD2 3.94Å; L116-L133 HydrophobicContact CD2-CD2 4.39Å; L116-R136 PolarHBondContact O-NE 3.27Å; L116-R136 VanDerWaalsContact O-NE 3.11Å; L116-I162 HydrophobicContact CD2-CD1 4.01Å; L116-V176 HydrophobicContact CB-CG1 4.06Å; L116-V176 HydrophobicContact CD2-CG1 4.06Å; L116-V176 HydrophobicContact CD2-CG2 3.98Å; L116-V176 HydrophobicContact CG-CB 4.22Å; L116-V176 HydrophobicContact CG-CG1 3.95Å; L116-V176 HydrophobicContact CG-CG2 3.87Å
117Y82.9Confident70.8Confident118 Ų11857.7 Ų57.746%0.46330%0.303SS..EExtended strand (participates in β ladder)trans-112.2-44.2-178.2176.4-117.5000112.5T134 R136 V176Y117-T134 WeakPolarHBondContact CB-O 3.22Å; Y117-T134 PolarHBondContact N-O 3.37Å; Y117-R136 HydrophobicContact CD2-CG 4.27Å; Y117-R136 HydrophobicContact CG-CG 4.39Å; Y117-V176 WeakPolarHBondContact O-CB 3.21Å; Y117-V176 PolarHBondContact O-N 3.43Å
118S85.1Confident69.9Low5 Ų558.1 Ų58.14%0.03530%0.304CS..EExtended strand (participates in β ladder)trans-154.5158.3179.367.60000112.9T134 F174S118-T134 PolarHBondContact N-O 3.25Å; S118-T134 PolarHBondContact O-N 3.35Å; S118-T134 WeakPolarHBondContact OG-CB 3.41Å; S118-T134 PolarHBondContact OG-OG1 3.08Å; S118-F174 CarbonylContact C-O 3.59Å; S118-F174 WeakPolarHBondContact CA-O 3.27Å; S118-F174 VanDerWaalsContact CB-O 3.28Å; S118-F174 WeakPolarHBondContact CB-O 3.48Å
119L83.2Confident68.9Low3 Ų359.3 Ų59.32%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-126.1108.5178.4-175165000106.9R121 M131 L133 L155 L164 F174L119-R121 HydrophobicContact CD2-CG 3.78Å; L119-M131 HydrophobicContact CD1-CG 4.45Å; L119-M131 HydrophobicContact CD1-SD 3.66Å; L119-M131 HydrophobicContact CD2-CG 3.85Å; L119-M131 HydrophobicContact CD2-SD 3.95Å; L119-M131 HydrophobicContact CG-CG 3.88Å; L119-M131 HydrophobicContact CG-SD 3.77Å; L119-L133 HydrophobicContact CB-CD2 4.24Å; L119-L133 HydrophobicContact CD1-CD2 4.1Å; L119-L133 HydrophobicContact CG-CD2 3.93Å; L119-L155 HydrophobicContact CD1-CD2 3.89Å; L119-L164 HydrophobicContact CD1-CD1 4.45Å; L119-F174 HydrophobicContact CB-CB 4.48Å; L119-F174 PolarHBondContact N-O 3.29Å; L119-F174 PolarHBondContact O-N 3.11Å
120R78.2Confident68.2Low121 Ų12162 Ų6246%0.45732%0.317SS..EExtended strand (participates in β ladder)trans-96.1125.7174-177.2174.7-86.9149-5.3109.7V132 D170 L173R120-V132 HydrophobicContact CB-CB 4.48Å; R120-V132 PolarHBondContact N-O 2.76Å; R120-V132 PolarHBondContact O-N 2.89Å; R120-D170 IonicContact CZ-OD2 2.67Å; R120-D170 IonicContact NE-OD2 3.15Å; R120-D170 PolarHBondContact NE-OD2 2.83Å; R120-D170 VanDerWaalsContact NE-OD2 3.14Å; R120-D170 IonicContact NH2-OD2 2.69Å; R120-D170 PolarHBondContact NH2-OD2 2.79Å; R120-L173 HydrophobicContact CB-CD1 3.88Å
121R69.7Low67.9Low38 Ų3861.8 Ų61.814%0.14332%0.315CS..EExtended strand (participates in β ladder)trans-90.9154.8171.4-64.1164.961.6-147.7-6.4109.2L119 R172 I195 L196L119-R121 HydrophobicContact CD2-CG 3.78Å; R121-R172 PolarHBondContact N-O 3.27Å; R121-R172 WeakPolarHBondContact O-CB 3.47Å; R121-I195 PolarHBondContact NH2-O 2.98Å; R121-L196 HydrophobicContact CG-CD1 4.49Å
122A57.2Low67.7Low24 Ų2462.5 Ų62.520%0.19832%0.319CS..EExtended strand (participates in β ladder)trans-131.3135.7169.900000110.9F130A122-F130 HydrophobicContact CB-CD1 3.91Å; A122-F130 HydrophobicContact CB-CD2 4.02Å; A122-F130 HydrophobicContact CB-CE1 3.45Å; A122-F130 VanDerWaalsContact CB-CE1 3.45Å; A122-F130 HydrophobicContact CB-CE2 3.57Å; A122-F130 HydrophobicContact CB-CG 4.19Å; A122-F130 HydrophobicContact CB-CZ 3.27Å; A122-F130 PolarHBondContact N-O 3.06Å
123R41.7Very low67.4Low108 Ų10860.9 Ų60.941%0.40831%0.309SS..  trans-105.2125.1162.2-98-171.2169.9-174.6-3.8108.8
124F41.7Very low67.1Low102 Ų10261.8 Ų61.845%0.44731%0.314SS..  trans38.8119.4153.5-88.6-115.3000120.1G127F124-G127 VanDerWaalsContact CE1-CA 3.48Å
125S37.3Very low67.1Low115 Ų11559 Ų5980%0.80430%0.295SS*.SBendtrans-117.7-36.1130.758.60000111.6
126L38Very low66.8Low155 Ų15562.4 Ų62.481%0.81231%0.306SS*.SBendtrans-141.159.2-172.5-67.2172.5000114R128L126-R128 PolarHBondContact O-N 3.23Å
127G42.2Very low66.1Low51 Ų5165.1 Ų65.153%0.52633%0.333SS..SBendtrans7615.7157.900000118.6F124F124-G127 VanDerWaalsContact CE1-CA 3.48Å
128R48.8Very low65.3Low126 Ų12662 Ų6248%0.47534%0.337SS..  trans-137.5128.1-179.9-57.3-176.1-170.6-174.80.9112.3L126L126-R128 PolarHBondContact O-N 3.23Å
129N55.7Low64.6Low65 Ų6568.3 Ų68.335%0.34837%0.366SS..  trans-75.2136.4169.1-70.1-24.8000110
130F68.3Low64.3Low78 Ų7872.3 Ų72.334%0.34239%0.392SS..EExtended strand (participates in β ladder)trans-145.1156.1172.669.9-92.1000113.7A122 V132 P143 L144 H145A122-F130 HydrophobicContact CB-CD1 3.91Å; A122-F130 HydrophobicContact CB-CD2 4.02Å; A122-F130 HydrophobicContact CB-CE1 3.45Å; A122-F130 VanDerWaalsContact CB-CE1 3.45Å; A122-F130 HydrophobicContact CB-CE2 3.57Å; A122-F130 HydrophobicContact CB-CG 4.19Å; A122-F130 HydrophobicContact CB-CZ 3.27Å; A122-F130 PolarHBondContact N-O 3.06Å; F130-V132 HydrophobicContact CD2-CG2 3.91Å; F130-V132 HydrophobicContact CE2-CG2 3.87Å; F130-P143 HydrophobicContact CB-CB 4.46Å; F130-P143 HydrophobicContact CD2-CB 3.97Å; F130-P143 HydrophobicContact CG-CB 4.45Å; F130-L144 CarbonylContact C-O 3.58Å; F130-L144 VanDerWaalsContact CA-O 3.27Å; F130-L144 WeakPolarHBondContact CA-O 3.29Å; F130-H145 AromaticContact CD1-CE1 3.98Å
131M79Confident64.3Low6 Ų668.1 Ų68.13%0.0338%0.378CS..EExtended strand (participates in β ladder)trans-123.4131.8179.2-1751757200109.2L119 L133 L144 F146 L154L119-M131 HydrophobicContact CD1-CG 4.45Å; L119-M131 HydrophobicContact CD1-SD 3.66Å; L119-M131 HydrophobicContact CD2-CG 3.85Å; L119-M131 HydrophobicContact CD2-SD 3.95Å; L119-M131 HydrophobicContact CG-CG 3.88Å; L119-M131 HydrophobicContact CG-SD 3.77Å; M131-L133 HydrophobicContact CE-CD1 4.13Å; M131-L133 HydrophobicContact CE-CD2 4.02Å; M131-L133 HydrophobicContact CE-CG 4.14Å; M131-L133 HydrophobicContact CG-CD2 4.41Å; M131-L133 HydrophobicContact SD-CD2 4.27Å; M131-L144 HydrophobicContact CE-CD1 3.96Å; M131-L144 PolarHBondContact N-O 2.85Å; M131-L144 PolarHBondContact O-N 3.49Å; M131-F146 HydrophobicContact CB-CE2 4.2Å; M131-F146 HydrophobicContact CE-CE2 3.95Å; M131-F146 HydrophobicContact CE-CZ 3.91Å; M131-L154 HydrophobicContact CE-CD2 3.99Å
132V82.1Confident64.7Low26 Ų2668.5 Ų68.516%0.15839%0.385CS..EExtended strand (participates in β ladder)trans-112.7126.1172.2-178.80000108.1R120 F130 P140 P143R120-V132 HydrophobicContact CB-CB 4.48Å; R120-V132 PolarHBondContact N-O 2.76Å; R120-V132 PolarHBondContact O-N 2.89Å; F130-V132 HydrophobicContact CD2-CG2 3.91Å; F130-V132 HydrophobicContact CE2-CG2 3.87Å; V132-P140 HydrophobicContact CG1-CB 3.88Å; V132-P143 HydrophobicContact CG2-CB 4.42Å; V132-P143 HydrophobicContact CG2-CG 4.34Å
133L83.4Confident65.8Low1 Ų169 Ų691%0.00539%0.387CS..EExtended strand (participates in β ladder)trans-103137177.6-62.4166.2000108.4L47 L116 L119 M131 P140 L141 L144L47-L133 HydrophobicContact CD2-CD1 3.47Å; L47-L133 VanDerWaalsContact CD2-CD1 3.47Å; L116-L133 HydrophobicContact CD1-CB 4Å; L116-L133 HydrophobicContact CD1-CD2 3.94Å; L116-L133 HydrophobicContact CD2-CD2 4.39Å; L119-L133 HydrophobicContact CB-CD2 4.24Å; L119-L133 HydrophobicContact CD1-CD2 4.1Å; L119-L133 HydrophobicContact CG-CD2 3.93Å; M131-L133 HydrophobicContact CE-CD1 4.13Å; M131-L133 HydrophobicContact CE-CD2 4.02Å; M131-L133 HydrophobicContact CE-CG 4.14Å; M131-L133 HydrophobicContact CG-CD2 4.41Å; M131-L133 HydrophobicContact SD-CD2 4.27Å; L133-P140 CarbonylContact O-C 3.59Å; L133-P140 WeakPolarHBondContact O-CA 3.41Å; L133-L141 HydrophobicContact CB-CB 4.42Å; L133-L141 HydrophobicContact CB-CD1 4.18Å; L133-L141 HydrophobicContact CD1-CD1 4.44Å; L133-L141 PolarHBondContact O-N 2.84Å; L133-L144 HydrophobicContact CD1-CD1 3.77Å
134T82.5Confident67.6Low23 Ų2363.9 Ų63.914%0.14137%0.368CS..EExtended strand (participates in β ladder)trans-118.7129.7177.5-41.80000109.2Y117 S118Y117-T134 WeakPolarHBondContact CB-O 3.22Å; Y117-T134 PolarHBondContact N-O 3.37Å; S118-T134 PolarHBondContact N-O 3.25Å; S118-T134 PolarHBondContact O-N 3.35Å; S118-T134 WeakPolarHBondContact OG-CB 3.41Å; S118-T134 PolarHBondContact OG-OG1 3.08Å
135S83.2Confident69.2Low20 Ų2059.7 Ų59.714%0.1435%0.349CS..EExtended strand (participates in β ladder)trans-79.4165.3174.373.70000111.8E115 G137 G138 H139E115-S135 CarbonylContact O-C 3.49Å; E115-S135 VanDerWaalsContact O-CA 3.24Å; E115-S135 WeakPolarHBondContact O-CA 3.23Å; S135-G137 PolarHBondContact O-N 3.47Å; S135-G137 VanDerWaalsContact O-N 3.16Å; S135-G137 PolarHBondContact OG-N 3.26Å; S135-G138 PolarHBondContact O-N 3Å; S135-H139 PolarHBondContact N-O 2.93Å
136R77.8Confident71Confident126 Ų12655 Ų5548%0.47531%0.314SS..THydrogen-bonded Turntrans-65.2-11174.6-71.2178176.9-136.8-15.8113.6S114 E115 L116 Y117 V176S114-R136 WeakPolarHBondContact O-CD 3.46Å; S114-R136 PolarHBondContact O-NE 2.97Å; E115-R136 WeakPolarHBondContact O-CG 3.37Å; E115-R136 PolarHBondContact O-N 3.43Å; L116-R136 PolarHBondContact O-NE 3.27Å; L116-R136 VanDerWaalsContact O-NE 3.11Å; Y117-R136 HydrophobicContact CD2-CG 4.27Å; Y117-R136 HydrophobicContact CG-CG 4.39Å; R136-V176 PolarHBondContact NH2-O 3.05Å
137G71.5Confident72.2Confident56 Ų5651.8 Ų51.858%0.57730%0.295SS*.THydrogen-bonded Turntrans-80.75.4165.900000114.5S135 H139S135-G137 PolarHBondContact O-N 3.47Å; S135-G137 VanDerWaalsContact O-N 3.16Å; S135-G137 PolarHBondContact OG-N 3.26Å; G137-H139 PolarHBondContact O-N 3.43Å
138G65.3Low73.1Confident52 Ų5256.9 Ų56.954%0.53630%0.298SS..SBendtrans76.90.8179.200000115S135 P140S135-G138 PolarHBondContact O-N 3Å; G138-P140 WeakPolarHBondContact O-CD 3.29Å
139H69.8Low73.9Confident139 Ų13951.2 Ų51.264%0.64428%0.28SS*.PPolyproline II helixtrans-87.2123-179.2-61.6-45.3000111.4S135 G137S135-H139 PolarHBondContact N-O 2.93Å; G137-H139 PolarHBondContact O-N 3.43Å
140P76.4Confident74.4Confident86 Ų8648.5 Ų48.556%0.55827%0.267SS*.BIsolated β-bridgetrans-76.2134.4169.731.1-32.8000110.7V132 L133 G138V132-P140 HydrophobicContact CG1-CB 3.88Å; L133-P140 CarbonylContact O-C 3.59Å; L133-P140 WeakPolarHBondContact O-CA 3.41Å; G138-P140 WeakPolarHBondContact O-CD 3.29Å
141L78.7Confident74.7Confident34 Ų3445.4 Ų45.418%0.17825%0.254CS..PPolyproline II helixtrans-74.7158.4168.6-65.9-177.7000110.9F109 L111 L133F109-L141 HydrophobicContact CD2-CD1 3.94Å; F109-L141 HydrophobicContact CE1-CD1 4.3Å; F109-L141 HydrophobicContact CE2-CD1 3.73Å; F109-L141 HydrophobicContact CG-CD1 4.35Å; F109-L141 HydrophobicContact CZ-CD1 3.93Å; L111-L141 HydrophobicContact CB-CD1 4.48Å; L111-L141 HydrophobicContact CD2-CD1 3.98Å; L133-L141 HydrophobicContact CB-CB 4.42Å; L133-L141 HydrophobicContact CB-CD1 4.18Å; L133-L141 HydrophobicContact CD1-CD1 4.44Å; L133-L141 PolarHBondContact O-N 2.84Å
142P77.7Confident74.2Confident45 Ų4549.9 Ų49.929%0.29227%0.271SS..PPolyproline II helixtrans-55.7146.8176.6-2635.6000113L19 L144L19-P142 HydrophobicContact CD1-CB 4.03Å; L19-P142 HydrophobicContact CD1-CG 4.29Å; L19-P142 HydrophobicContact CD2-CB 3.96Å; L19-P142 HydrophobicContact CD2-CG 4.35Å; L19-P142 HydrophobicContact CG-CB 3.85Å; L19-P142 HydrophobicContact CG-CG 4.5Å; P142-L144 PolarHBondContact O-N 2.79Å
143P80.9Confident73.9Confident35 Ų3551.6 Ų51.623%0.22728%0.277CS..PPolyproline II helixtrans-60.1129.4-179.5-24.134.3000113.1H20 F130 V132H20-P143 HydrophobicContact CB-CB 4.34Å; H20-P143 PolarHBondContact N-O 3.2Å; F130-P143 HydrophobicContact CB-CB 4.46Å; F130-P143 HydrophobicContact CD2-CB 3.97Å; F130-P143 HydrophobicContact CG-CB 4.45Å; V132-P143 HydrophobicContact CG2-CB 4.42Å; V132-P143 HydrophobicContact CG2-CG 4.34Å
144L79.8Confident73.8Confident1 Ų151.5 Ų51.51%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-99.3118.2175.9-66166.5000109.8V17 L19 I36 W49 F109 F130 M131 L133 P142 F146V17-L144 HydrophobicContact CG1-CB 4.18Å; V17-L144 HydrophobicContact CG1-CD2 4.08Å; L19-L144 HydrophobicContact CD1-CD2 4.4Å; I36-L144 HydrophobicContact CD1-CD1 3.79Å; W49-L144 HydrophobicContact CG-CD2 4.15Å; F109-L144 HydrophobicContact CE1-CD2 4.33Å; F109-L144 HydrophobicContact CZ-CD1 4.27Å; F130-L144 CarbonylContact C-O 3.58Å; F130-L144 VanDerWaalsContact CA-O 3.27Å; F130-L144 WeakPolarHBondContact CA-O 3.29Å; M131-L144 HydrophobicContact CE-CD1 3.96Å; M131-L144 PolarHBondContact N-O 2.85Å; M131-L144 PolarHBondContact O-N 3.49Å; L133-L144 HydrophobicContact CD1-CD1 3.77Å; P142-L144 PolarHBondContact O-N 2.79Å; L144-F146 HydrophobicContact CB-CE2 3.85Å
145H75.8Confident73.7Confident14 Ų1450.7 Ų50.77%0.06527%0.271CS..EExtended strand (participates in β ladder)trans-104.2125180-64.6-103.2000111.2V17 Y18 H20 F130V17-H145 WeakPolarHBondContact CA-O 3.49Å; Y18-H145 PolarHBondContact N-O 3.16Å; Y18-H145 PolarHBondContact O-N 3.43Å; H20-H145 AromaticContact CG-NE2 3.97Å; F130-H145 AromaticContact CD1-CE1 3.98Å
146F75.3Confident73.5Confident15 Ų1555.9 Ų55.97%0.06629%0.288CS..EExtended strand (participates in β ladder)trans-101.690.4-176.2-68.8-103.5000109.8V17 I36 M131 L144 T151 L154V17-F146 HydrophobicContact CB-CE1 4.43Å; V17-F146 HydrophobicContact CG1-CD1 4.28Å; V17-F146 HydrophobicContact CG1-CD2 4.4Å; V17-F146 HydrophobicContact CG1-CE1 3.95Å; V17-F146 HydrophobicContact CG1-CE2 4.06Å; V17-F146 HydrophobicContact CG1-CG 4.49Å; V17-F146 HydrophobicContact CG1-CZ 3.82Å; V17-F146 HydrophobicContact CG2-CD1 3.61Å; V17-F146 HydrophobicContact CG2-CE1 3.55Å; V17-F146 HydrophobicContact CG2-CG 4.39Å; V17-F146 HydrophobicContact CG2-CZ 4.28Å; I36-F146 HydrophobicContact CD1-CZ 4.39Å; I36-F146 HydrophobicContact CG2-CE1 4.35Å; M131-F146 HydrophobicContact CB-CE2 4.2Å; M131-F146 HydrophobicContact CE-CE2 3.95Å; M131-F146 HydrophobicContact CE-CZ 3.91Å; L144-F146 HydrophobicContact CB-CE2 3.85Å; F146-T151 WeakPolarHBondContact CG-OG1 3.25Å; F146-L154 HydrophobicContact CE1-CD2 3.93Å; F146-L154 HydrophobicContact CZ-CD2 3.71Å
147H61.7Low73.7Confident88 Ų8850.1 Ų50.141%0.40727%0.267SS..THydrogen-bonded Turntrans-84.2-23.1-173.8-72.6-153.4000113.3G16 Y18G16-H147 PolarHBondContact O-N 2.83Å; Y18-H147 HydrophobicContact CD2-CB 4Å; Y18-H147 AromaticContact CD2-CD2 3.88Å; Y18-H147 AromaticContact CD2-CG 3.65Å; Y18-H147 AromaticContact CD2-ND1 3.83Å; Y18-H147 HydrophobicContact CE2-CB 3.75Å; Y18-H147 AromaticContact CE2-CG 3.72Å; Y18-H147 AromaticContact CE2-ND1 3.73Å
148R60.8Low74.2Confident158 Ų15847.5 Ų47.560%0.59624%0.24SC*.THydrogen-bonded Turntrans-116.930.6175.9-63.1-179179.6162-0.5111.4K14 E15K14-R148 WeakPolarHBondContact CE-O 3.31Å; K14-R148 PolarHBondContact NZ-O 2.79Å; E15-R148 IonicContact OE1-CZ 3.37Å; E15-R148 IonicContact OE1-NH1 3.12Å; E15-R148 PolarHBondContact OE1-NH1 3.31Å
149G65.9Low74.9Confident8 Ų848.4 Ų48.48%0.08223%0.23CC..  trans60.1-149.5-177.100000114.8K14 D198K14-G149 WeakPolarHBondContact CE-O 3.49Å; G149-D198 WeakPolarHBondContact CA-OD1 3.37Å; G149-D198 WeakPolarHBondContact CA-OD2 3.34Å
150G67.8Low75.5Confident7 Ų749.3 Ų49.37%0.07223%0.228CC..  trans92.93.8-178.800000114.5R152 E153 L154 D198G150-R152 VanDerWaalsContact C-N 3.35Å; G150-E153 PolarHBondContact O-N 2.93Å; G150-L154 WeakPolarHBondContact O-CB 3.49Å; G150-L154 PolarHBondContact O-N 3.36Å; G150-D198 PolarHBondContact N-OD2 2.72Å
151T73.4Confident75.8Confident13 Ų1347.4 Ų47.48%0.0821%0.21CC..Hα-helixtrans-66.5-39.4-177.3-39.50000111.3F146 L155 L196 D198F146-T151 WeakPolarHBondContact CG-OG1 3.25Å; T151-L155 HydrophobicContact CG2-CD1 4.43Å; T151-L155 WeakPolarHBondContact O-CB 3.29Å; T151-L155 WeakPolarHBondContact O-CG 3.38Å; T151-L155 PolarHBondContact O-N 2.79Å; T151-L196 HydrophobicContact CG2-CD1 4.16Å; T151-L196 HydrophobicContact CG2-CD2 4.26Å; T151-D198 PolarHBondContact N-OD2 3.02Å
152R69Low76Confident101 Ų10145.9 Ų45.938%0.38120%0.202SC..Hα-helixtrans-65.8-43.1178-169.7-178.364.2163.88.3111.7G150 L155 R156 D197G150-R152 VanDerWaalsContact C-N 3.35Å; R152-L155 PolarHBondContact O-N 2.76Å; R152-R156 VanDerWaalsContact CZ-NH2 3.33Å; R152-R156 VanDerWaalsContact NE-NH2 3.18Å; R152-R156 WeakPolarHBondContact O-CG 3.45Å; R152-R156 PolarHBondContact O-N 3.16Å; R152-D197 IonicContact CZ-OD1 3.14Å; R152-D197 IonicContact NE-OD1 2.82Å; R152-D197 IonicContact NH1-OD1 4Å; R152-D197 PolarHBondContact NH1-OD1 3.3Å
153E74.8Confident76.2Confident61 Ų6145.8 Ų45.829%0.28520%0.2SC..Hα-helixtrans-69-39.6178.4-69.860-134.400111.6F12 G150 R156 A157F12-E153 HydrophobicContact CE2-CB 3.71Å; F12-E153 HydrophobicContact CZ-CB 4.28Å; G150-E153 PolarHBondContact O-N 2.93Å; E153-R156 PolarHBondContact O-N 3.13Å; E153-R156 IonicContact OE1-CZ 2.74Å; E153-R156 IonicContact OE1-NH1 3.85Å; E153-R156 PolarHBondContact OE1-NH1 3.44Å; E153-R156 IonicContact OE1-NH2 3.7Å; E153-A157 PolarHBondContact O-N 3.08Å; E153-A157 VanDerWaalsContact O-N 3.11Å
154L81.5Confident76.1Confident0 Ų044.3 Ų44.30%019%0.191CC..Hα-helixtrans-57.6-47.1170.2175.265.1000111.3F12 I36 I38 L47 M131 F146 G150 A157 L158F12-L154 HydrophobicContact CD1-CB 4.28Å; F12-L154 HydrophobicContact CD1-CD1 3.55Å; F12-L154 HydrophobicContact CE1-CB 3.58Å; F12-L154 HydrophobicContact CE1-CD1 3.54Å; F12-L154 HydrophobicContact CE1-CG 4.12Å; F12-L154 HydrophobicContact CZ-CB 3.76Å; I36-L154 HydrophobicContact CD1-CD2 3.93Å; I36-L154 HydrophobicContact CG2-CD1 4.5Å; I36-L154 HydrophobicContact CG2-CD2 4.43Å; I38-L154 HydrophobicContact CD1-CD1 3.92Å; I38-L154 HydrophobicContact CG1-CD1 4.07Å; L47-L154 HydrophobicContact CD1-CD1 3.83Å; M131-L154 HydrophobicContact CE-CD2 3.99Å; F146-L154 HydrophobicContact CE1-CD2 3.93Å; F146-L154 HydrophobicContact CZ-CD2 3.71Å; G150-L154 WeakPolarHBondContact O-CB 3.49Å; G150-L154 PolarHBondContact O-N 3.36Å; L154-A157 PolarHBondContact O-N 2.64Å; L154-A157 VanDerWaalsContact O-N 3.17Å; L154-L158 HydrophobicContact CG-CD1 4.32Å; L154-L158 WeakPolarHBondContact O-CG 3.46Å; L154-L158 PolarHBondContact O-N 3.32Å
155L80.4Confident75.8Confident5 Ų547.9 Ų47.93%0.02621%0.209CC..Hα-helixtrans-66.7-38.5179.7-76.9168.5000113.3L119 T151 R152 A157 L158 H159 L164 F190 L196L119-L155 HydrophobicContact CD1-CD2 3.89Å; T151-L155 HydrophobicContact CG2-CD1 4.43Å; T151-L155 WeakPolarHBondContact O-CB 3.29Å; T151-L155 WeakPolarHBondContact O-CG 3.38Å; T151-L155 PolarHBondContact O-N 2.79Å; R152-L155 PolarHBondContact O-N 2.76Å; L155-A157 PolarHBondContact O-N 3.25Å; L155-L158 HydrophobicContact CD2-CD1 4.07Å; L155-L158 PolarHBondContact O-N 3.38Å; L155-H159 WeakPolarHBondContact O-CB 3.32Å; L155-H159 PolarHBondContact O-N 3.41Å; L155-L164 HydrophobicContact CD2-CD1 3.68Å; L155-F190 HydrophobicContact CB-CE1 3.97Å; L155-F190 HydrophobicContact CB-CZ 4.15Å; L155-F190 HydrophobicContact CD2-CZ 4.41Å; L155-L196 HydrophobicContact CD1-CD1 3.32Å
156R78.6Confident75.7Confident129 Ų12951.5 Ų51.549%0.48723%0.227SC..Hα-helixtrans-60.4-34.8171.2-70.9-165.3-15896.8-5.3112.3R152 E153R152-R156 VanDerWaalsContact CZ-NH2 3.33Å; R152-R156 VanDerWaalsContact NE-NH2 3.18Å; R152-R156 WeakPolarHBondContact O-CG 3.45Å; R152-R156 PolarHBondContact O-N 3.16Å; E153-R156 PolarHBondContact O-N 3.13Å; E153-R156 IonicContact OE1-CZ 2.74Å; E153-R156 IonicContact OE1-NH1 3.85Å; E153-R156 PolarHBondContact OE1-NH1 3.44Å; E153-R156 IonicContact OE1-NH2 3.7Å
157A82.2Confident75.5Confident6 Ų651.6 Ų51.65%0.0523%0.229CC..Hα-helixtrans-75.7-38.1177.100000112.1F12 I38 E153 L154 L155 R160F12-A157 HydrophobicContact CB-CB 3.73Å; F12-A157 HydrophobicContact CD2-CB 4.26Å; F12-A157 HydrophobicContact CG-CB 4.09Å; I38-A157 HydrophobicContact CD1-CB 3.63Å; E153-A157 PolarHBondContact O-N 3.08Å; E153-A157 VanDerWaalsContact O-N 3.11Å; L154-A157 PolarHBondContact O-N 2.64Å; L154-A157 VanDerWaalsContact O-N 3.17Å; L155-A157 PolarHBondContact O-N 3.25Å; A157-R160 WeakPolarHBondContact O-CB 3.33Å; A157-R160 PolarHBondContact O-N 3.49Å
158L83.2Confident75.3Confident1 Ų153.7 Ų53.71%0.00525%0.25CS..Hα-helixtrans-61.2-41171.7-75.1174.4000112.6I38 L113 L154 L155 R160 Y161 I162I38-L158 HydrophobicContact CD1-CB 4.49Å; I38-L158 HydrophobicContact CD1-CD2 3.7Å; I38-L158 HydrophobicContact CD1-CG 3.8Å; I38-L158 HydrophobicContact CG1-CD2 4.33Å; L113-L158 HydrophobicContact CD1-CD2 3.9Å; L113-L158 HydrophobicContact CD2-CD2 3.5Å; L113-L158 VanDerWaalsContact CD2-CD2 3.5Å; L113-L158 HydrophobicContact CG-CD2 4.39Å; L154-L158 HydrophobicContact CG-CD1 4.32Å; L154-L158 WeakPolarHBondContact O-CG 3.46Å; L154-L158 PolarHBondContact O-N 3.32Å; L155-L158 HydrophobicContact CD2-CD1 4.07Å; L155-L158 PolarHBondContact O-N 3.38Å; L158-R160 PolarHBondContact O-N 2.67Å; L158-Y161 PolarHBondContact O-N 3.23Å; L158-I162 HydrophobicContact CB-CD1 4.09Å; L158-I162 HydrophobicContact CB-CG1 4.09Å; L158-I162 HydrophobicContact CD2-CD1 4.42Å; L158-I162 WeakPolarHBondContact O-CG1 3.47Å; L158-I162 PolarHBondContact O-N 3.25Å
159H79.9Confident75.2Confident70 Ų7052.8 Ų52.832%0.32426%0.262SS..THydrogen-bonded Turntrans-59.2-16.1-178.3179.8-128.8000114.4L155 Y161 I162 R179 F190L155-H159 WeakPolarHBondContact O-CB 3.32Å; L155-H159 PolarHBondContact O-N 3.41Å; H159-Y161 PolarHBondContact O-N 3.37Å; H159-I162 WeakPolarHBondContact CA-O 3.37Å; H159-R179 PolarHBondContact CD2-NH1 3.49Å; H159-R179 PolarHBondContact CE1-NH1 3.13Å; H159-R179 PolarHBondContact NE2-NH1 3.24Å; H159-R179 PolarHBondContact O-NH1 2.86Å; H159-F190 HydrophobicContact CB-CE2 3.97Å; H159-F190 HydrophobicContact CB-CZ 4.43Å; H159-F190 AromaticContact CD2-CE2 3.99Å; H159-F190 AromaticContact CG-CE2 3.99Å
160R80.9Confident75.2Confident159 Ų15954.3 Ų54.360%0.627%0.268SS*.THydrogen-bonded Turntrans-64.3-24.6170.8-62.3179.6177176.5-0.3113A157 L158A157-R160 WeakPolarHBondContact O-CB 3.33Å; A157-R160 PolarHBondContact O-N 3.49Å; L158-R160 PolarHBondContact O-N 2.67Å
161Y82.8Confident75Confident46 Ų4656 Ų5618%0.1829%0.285CS..THydrogen-bonded Turntrans-124-25.1-170.5-56.9-71.8000114I11 I38 E40 P45 L113 L158 H159 R179I11-Y161 WeakPolarHBondContact CD1-OH 3.37Å; I11-Y161 HydrophobicContact CG1-CE2 4.47Å; I11-Y161 WeakPolarHBondContact CG1-OH 3.47Å; I11-Y161 HydrophobicContact CG2-CE2 4.18Å; I38-Y161 HydrophobicContact CG2-CE2 4.2Å; E40-Y161 WeakPolarHBondContact OE1-CE1 3.34Å; E40-Y161 PolarHBondContact OE1-OH 2.82Å; P45-Y161 HydrophobicContact CB-CD1 3.77Å; P45-Y161 HydrophobicContact CB-CD2 4.06Å; P45-Y161 HydrophobicContact CB-CE1 3.74Å; P45-Y161 HydrophobicContact CB-CE2 4.04Å; P45-Y161 HydrophobicContact CB-CG 3.91Å; P45-Y161 HydrophobicContact CG-CD1 3.57Å; P45-Y161 HydrophobicContact CG-CE1 3.92Å; P45-Y161 HydrophobicContact CG-CG 3.89Å; L113-Y161 HydrophobicContact CD1-CD2 3.67Å; L113-Y161 HydrophobicContact CD1-CG 3.89Å; L158-Y161 PolarHBondContact O-N 3.23Å; H159-Y161 PolarHBondContact O-N 3.37Å; Y161-R179 WeakPolarHBondContact O-CB 3.45Å; Y161-R179 PolarHBondContact O-N 3.24Å; Y161-R179 VanDerWaalsContact O-N 3.08Å
162I84.1Confident74.8Confident2 Ų262.1 Ų62.11%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-132155.6-178.459.9166.2000112.7L113 L116 L158 H159 L164 V176 Y177L113-I162 HydrophobicContact CB-CG2 4.26Å; L116-I162 HydrophobicContact CD2-CD1 4.01Å; L158-I162 HydrophobicContact CB-CD1 4.09Å; L158-I162 HydrophobicContact CB-CG1 4.09Å; L158-I162 HydrophobicContact CD2-CD1 4.42Å; L158-I162 WeakPolarHBondContact O-CG1 3.47Å; L158-I162 PolarHBondContact O-N 3.25Å; H159-I162 WeakPolarHBondContact CA-O 3.37Å; I162-L164 HydrophobicContact CD1-CD2 4Å; I162-L164 HydrophobicContact CD1-CG 4.49Å; I162-V176 HydrophobicContact CB-CG1 4Å; I162-V176 HydrophobicContact CD1-CG1 3.75Å; I162-V176 HydrophobicContact CG1-CG1 4.49Å; I162-V176 HydrophobicContact CG2-CG1 3.87Å; I162-Y177 CarbonylContact C-O 3.04Å; I162-Y177 VanDerWaalsContact CA-O 3.32Å; I162-Y177 WeakPolarHBondContact CA-O 3.44Å
163V81.2Confident75.1Confident42 Ų4258.5 Ų58.526%0.25530%0.295SS..EExtended strand (participates in β ladder)trans-104.2144.7166.4-177.90000108.6Y177V163-Y177 PolarHBondContact N-O 3.23Å; V163-Y177 PolarHBondContact O-N 3.11Å
164L80.3Confident75.4Confident5 Ų555.8 Ų55.83%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-119.8125.3176-66.1-178.3000110.1L119 L155 I162 L175 V176 S189 F190 L193L119-L164 HydrophobicContact CD1-CD1 4.45Å; L155-L164 HydrophobicContact CD2-CD1 3.68Å; I162-L164 HydrophobicContact CD1-CD2 4Å; I162-L164 HydrophobicContact CD1-CG 4.49Å; L164-L175 WeakPolarHBondContact CA-O 3.43Å; L164-V176 HydrophobicContact CD2-CB 4.31Å; L164-V176 HydrophobicContact CD2-CG2 3.43Å; L164-V176 VanDerWaalsContact CD2-CG2 3.43Å; L164-S189 PolarHBondContact O-OG 3.38Å; L164-F190 HydrophobicContact CD1-CE2 4.38Å; L164-F190 HydrophobicContact CD1-CZ 3.9Å; L164-L193 HydrophobicContact CB-CD1 4.35Å; L164-L193 HydrophobicContact CD1-CD1 4.29Å
165D72.8Confident75.4Confident75 Ų7557.5 Ų57.540%0.40129%0.292SS..EExtended strand (participates in β ladder)trans-118.3138.2170.8-69.2-58.8000110.6F174 L175 Y177D165-F174 CarbonylContact O-C 3.55Å; D165-F174 VanDerWaalsContact O-CA 3.29Å; D165-F174 WeakPolarHBondContact O-CA 3.32Å; D165-L175 PolarHBondContact N-O 2.89Å; D165-L175 VanDerWaalsContact N-O 3.13Å; D165-L175 PolarHBondContact O-N 3.2Å; D165-Y177 HydrophobicContact CB-CE2 4.2Å
166Q74.1Confident75.6Confident91 Ų9157.4 Ų57.443%0.42529%0.291SS..EExtended strand (participates in β ladder)trans-71.4134.3178.5-167.617522.600110.1G171 F174Q166-G171 PolarHBondContact NE2-O 2.89Å; Q166-F174 HydrophobicContact CB-CD1 4.1Å; Q166-F174 HydrophobicContact CB-CE1 3.66Å; Q166-F174 HydrophobicContact CB-CZ 4.13Å; Q166-F174 HydrophobicContact CG-CD1 4.49Å; Q166-F174 HydrophobicContact CG-CE1 3.85Å; Q166-F174 HydrophobicContact CG-CE2 4.38Å; Q166-F174 HydrophobicContact CG-CZ 3.76Å
167S69.9Low75.8Confident17 Ų1756.4 Ų56.412%0.11929%0.288CS..  trans-63.9132.7175.7170.30000110.5V169 D170 L173S167-V169 PolarHBondContact O-N 3.3Å; S167-V169 PolarHBondContact OG-N 3.43Å; S167-D170 WeakPolarHBondContact CB-O 3.2Å; S167-D170 PolarHBondContact OG-N 3.43Å; S167-L173 WeakPolarHBondContact CB-O 3.33Å; S167-L173 PolarHBondContact N-O 3.27Å
168P58.1Low75.6Confident131 Ų13159 Ų5985%0.85131%0.305SS*.SBendtrans-71.7-5.8177.330.1-35.2000113.5
169V59.2Low75.1Confident139 Ų13964.7 Ų64.784%0.84233%0.326SS*.SBendtrans-112.6-32.6-178.3-173.50000112.4S167S167-V169 PolarHBondContact O-N 3.3Å; S167-V169 PolarHBondContact OG-N 3.43Å
170D64.4Low74.2Confident40 Ų4066.9 Ų66.921%0.21434%0.34CS..  trans-128.396.9178.3175.22.9000108.4R120 S167 R172 L173R120-D170 IonicContact CZ-OD2 2.67Å; R120-D170 IonicContact NE-OD2 3.15Å; R120-D170 PolarHBondContact NE-OD2 2.83Å; R120-D170 VanDerWaalsContact NE-OD2 3.14Å; R120-D170 IonicContact NH2-OD2 2.69Å; R120-D170 PolarHBondContact NH2-OD2 2.79Å; S167-D170 WeakPolarHBondContact CB-O 3.2Å; S167-D170 PolarHBondContact OG-N 3.43Å; D170-R172 PolarHBondContact O-N 2.98Å; D170-R172 WeakPolarHBondContact OD1-CA 3.41Å; D170-R172 VanDerWaalsContact OD1-CB 3.24Å; D170-R172 WeakPolarHBondContact OD1-CB 3.41Å; D170-R172 PolarHBondContact OD1-N 3.3Å; D170-L173 HydrophobicContact CB-CB 3.87Å; D170-L173 WeakPolarHBondContact O-CB 3.32Å; D170-L173 PolarHBondContact O-N 2.8Å; D170-L173 WeakPolarHBondContact OD2-CB 3.39Å
171G63.8Low72.6Confident42 Ų4265.9 Ų65.943%0.43336%0.357SS..THydrogen-bonded Turntrans-60.9-6.1179.500000114.8Q166Q166-G171 PolarHBondContact NE2-O 2.89Å
172R69.3Low70.7Confident143 Ų14369 Ų6954%0.5439%0.386SS..THydrogen-bonded Turntrans-96.1-11.8173.8-46.7179.7176.6-161.3-4.3112.6R121 D170R121-R172 PolarHBondContact N-O 3.27Å; R121-R172 WeakPolarHBondContact O-CB 3.47Å; D170-R172 PolarHBondContact O-N 2.98Å; D170-R172 WeakPolarHBondContact OD1-CA 3.41Å; D170-R172 VanDerWaalsContact OD1-CB 3.24Å; D170-R172 WeakPolarHBondContact OD1-CB 3.41Å; D170-R172 PolarHBondContact OD1-N 3.3Å
173L76.6Confident68.6Low25 Ų2573.4 Ų73.413%0.13142%0.417CS..EExtended strand (participates in β ladder)trans-100.1134.5179.3-176.669.3000111.3R120 S167 D170 L175R120-L173 HydrophobicContact CB-CD1 3.88Å; S167-L173 WeakPolarHBondContact CB-O 3.33Å; S167-L173 PolarHBondContact N-O 3.27Å; D170-L173 HydrophobicContact CB-CB 3.87Å; D170-L173 WeakPolarHBondContact O-CB 3.32Å; D170-L173 PolarHBondContact O-N 2.8Å; D170-L173 WeakPolarHBondContact OD2-CB 3.39Å; L173-L175 HydrophobicContact CD2-CD2 4.37Å
174F80.3Confident66.7Low4 Ų476.1 Ų76.12%0.01844%0.444CS..EExtended strand (participates in β ladder)trans-121.1127176.3-67.9-100.5000108.8S118 L119 D165 Q166 L193S118-F174 CarbonylContact C-O 3.59Å; S118-F174 WeakPolarHBondContact CA-O 3.27Å; S118-F174 VanDerWaalsContact CB-O 3.28Å; S118-F174 WeakPolarHBondContact CB-O 3.48Å; L119-F174 HydrophobicContact CB-CB 4.48Å; L119-F174 PolarHBondContact N-O 3.29Å; L119-F174 PolarHBondContact O-N 3.11Å; D165-F174 CarbonylContact O-C 3.55Å; D165-F174 VanDerWaalsContact O-CA 3.29Å; D165-F174 WeakPolarHBondContact O-CA 3.32Å; Q166-F174 HydrophobicContact CB-CD1 4.1Å; Q166-F174 HydrophobicContact CB-CE1 3.66Å; Q166-F174 HydrophobicContact CB-CZ 4.13Å; Q166-F174 HydrophobicContact CG-CD1 4.49Å; Q166-F174 HydrophobicContact CG-CE1 3.85Å; Q166-F174 HydrophobicContact CG-CE2 4.38Å; Q166-F174 HydrophobicContact CG-CZ 3.76Å; F174-L193 HydrophobicContact CD1-CD1 4.01Å; F174-L193 HydrophobicContact CD1-CD2 4.15Å; F174-L193 HydrophobicContact CD1-CG 4.24Å; F174-L193 HydrophobicContact CE1-CD1 3.91Å; F174-L193 HydrophobicContact CE1-CD2 3.63Å; F174-L193 HydrophobicContact CE1-CG 3.66Å; F174-L193 HydrophobicContact CE2-CD2 4.38Å; F174-L193 HydrophobicContact CZ-CD2 3.78Å; F174-L193 HydrophobicContact CZ-CG 4.23Å
175L81.8Confident64.6Low36 Ų3683.2 Ų83.219%0.18848%0.482CS..EExtended strand (participates in β ladder)trans-86.8145.8177.7-59.2-179.8000109.9L164 D165 L173 Y177L164-L175 WeakPolarHBondContact CA-O 3.43Å; D165-L175 PolarHBondContact N-O 2.89Å; D165-L175 VanDerWaalsContact N-O 3.13Å; D165-L175 PolarHBondContact O-N 3.2Å; L173-L175 HydrophobicContact CD2-CD2 4.37Å; L175-Y177 HydrophobicContact CB-CE2 3.81Å
176V84.2Confident63.2Low3 Ų389.7 Ų89.72%0.01851%0.507CS..EExtended strand (participates in β ladder)trans-116.9117.6-168.4176.10000111.1L116 Y117 R136 I162 L164L116-V176 HydrophobicContact CB-CG1 4.06Å; L116-V176 HydrophobicContact CD2-CG1 4.06Å; L116-V176 HydrophobicContact CD2-CG2 3.98Å; L116-V176 HydrophobicContact CG-CB 4.22Å; L116-V176 HydrophobicContact CG-CG1 3.95Å; L116-V176 HydrophobicContact CG-CG2 3.87Å; Y117-V176 WeakPolarHBondContact O-CB 3.21Å; Y117-V176 PolarHBondContact O-N 3.43Å; R136-V176 PolarHBondContact NH2-O 3.05Å; I162-V176 HydrophobicContact CB-CG1 4Å; I162-V176 HydrophobicContact CD1-CG1 3.75Å; I162-V176 HydrophobicContact CG1-CG1 4.49Å; I162-V176 HydrophobicContact CG2-CG1 3.87Å; L164-V176 HydrophobicContact CD2-CB 4.31Å; L164-V176 HydrophobicContact CD2-CG2 3.43Å; L164-V176 VanDerWaalsContact CD2-CG2 3.43Å
177Y82.4Confident61.3Low107 Ų10788.3 Ų88.342%0.4252%0.517SS..EExtended strand (participates in β ladder)trans-113.9137.9179.3-57.5-81.1000110.4I162 V163 D165 L175I162-Y177 CarbonylContact C-O 3.04Å; I162-Y177 VanDerWaalsContact CA-O 3.32Å; I162-Y177 WeakPolarHBondContact CA-O 3.44Å; V163-Y177 PolarHBondContact N-O 3.23Å; V163-Y177 PolarHBondContact O-N 3.11Å; D165-Y177 HydrophobicContact CB-CE2 4.2Å; L175-Y177 HydrophobicContact CB-CE2 3.81Å
178P78.1Confident59.9Low62 Ų6291.9 Ų91.940%0.40354%0.54SS..EExtended strand (participates in β ladder)trans-63.1148.4172.2-18.833000110.8D180P178-D180 PolarHBondContact O-N 3.3Å
179R72.9Confident59.1Low119 Ų11987 Ų8745%0.44951%0.509SS..  trans-86.996.4176.4-168178.5-165.5112.216.5110.6H159 Y161H159-R179 PolarHBondContact CD2-NH1 3.49Å; H159-R179 PolarHBondContact CE1-NH1 3.13Å; H159-R179 PolarHBondContact NE2-NH1 3.24Å; H159-R179 PolarHBondContact O-NH1 2.86Å; Y161-R179 WeakPolarHBondContact O-CB 3.45Å; Y161-R179 PolarHBondContact O-N 3.24Å; Y161-R179 VanDerWaalsContact O-N 3.08Å
180D60.7Low58.2Low117 Ų11783 Ų8363%0.62648%0.481SS*.  trans-65.3141.2177.4-74.9-27.9000112.4P178 S182P178-D180 PolarHBondContact O-N 3.3Å; D180-S182 PolarHBondContact O-N 2.59Å
181S48.5Very low57.1Low137 Ų13786 Ų8696%0.95850%0.497SS*.THydrogen-bonded Turntrans-7613.5-168-43.30000115.7
182S42.6Very low55.9Low112 Ų11291 Ų9178%0.78351%0.507SS*.THydrogen-bonded Turntrans-130.60.4-163.652.70000115.8D180D180-S182 PolarHBondContact O-N 2.59Å
183S39.3Very low54.6Low94 Ų9484.8 Ų84.866%0.65748%0.484SS*.  trans-117107.1172.647.70000111.3
184A42.3Very low52.8Low99 Ų9989.9 Ų89.982%0.81851%0.507SS*.  trans-11453-179.600000111.4
185D36.1Very low51.1Low154 Ų15494.1 Ų94.182%0.82453%0.529SS*.  trans-131.5161.5175.7-93.4-54.3000111.5
186F42.1Very low49Very low211 Ų21194.1 Ų94.193%0.92553%0.528SS*.  trans-93.4152.7-160.8-68.6-103.7000114.6
187G35.6Very low46.7Very low63 Ų6397 Ų9765%0.64954%0.544SS*.  trans-169.7145.917200000114.6S189G187-S189 VanDerWaalsContact C-N 3.33Å; G187-S189 PolarHBondContact O-N 2.81Å
188P39.3Very low44.5Very low91 Ų9194.7 Ų94.759%0.59154%0.539SS*.  trans-86.156.4-168.236.4-38.5000114
189S42.1Very low42.5Very low30 Ų3092.3 Ų92.321%0.2153%0.525CS..THydrogen-bonded Turntrans-66.3-42.9177.9154.70000112.3L164 G187L164-S189 PolarHBondContact O-OG 3.38Å; G187-S189 VanDerWaalsContact C-N 3.33Å; G187-S189 PolarHBondContact O-N 2.81Å
190F40.6Very low40.8Very low55 Ų5587.9 Ų87.924%0.24151%0.513CS..THydrogen-bonded Turntrans-89.6-15.4-171.7-104.1-86.3000115.9L155 H159 L164 K192 L193L155-F190 HydrophobicContact CB-CE1 3.97Å; L155-F190 HydrophobicContact CB-CZ 4.15Å; L155-F190 HydrophobicContact CD2-CZ 4.41Å; H159-F190 HydrophobicContact CB-CE2 3.97Å; H159-F190 HydrophobicContact CB-CZ 4.43Å; H159-F190 AromaticContact CD2-CE2 3.99Å; H159-F190 AromaticContact CG-CE2 3.99Å; L164-F190 HydrophobicContact CD1-CE2 4.38Å; L164-F190 HydrophobicContact CD1-CZ 3.9Å; F190-K192 PolarHBondContact O-N 2.8Å; F190-L193 HydrophobicContact CD1-CB 3.83Å; F190-L193 HydrophobicContact CD1-CD1 3.89Å; F190-L193 HydrophobicContact CD1-CG 4.49Å; F190-L193 HydrophobicContact CE1-CB 4.24Å; F190-L193 HydrophobicContact CE1-CD1 3.74Å; F190-L193 HydrophobicContact CE2-CD1 4.42Å; F190-L193 HydrophobicContact CG-CD1 4.31Å; F190-L193 HydrophobicContact CZ-CD1 4.04Å; F190-L193 WeakPolarHBondContact O-CA 3.48Å; F190-L193 VanDerWaalsContact O-CB 3.3Å; F190-L193 WeakPolarHBondContact O-CB 3.22Å; F190-L193 PolarHBondContact O-N 2.88Å
191D41.2Very low39.7Very low102 Ų10286.3 Ų86.355%0.54550%0.504SS..G310 helixtrans-69.1-23.2171-68.7-70.9000112.1L193 H194D191-L193 PolarHBondContact O-N 3.37Å; D191-H194 PolarHBondContact O-CD2 3.29Å; D191-H194 IonicContact OD1-CD2 3.02Å; D191-H194 IonicContact OD1-CE1 3.53Å; D191-H194 IonicContact OD1-NE2 2.72Å; D191-H194 PolarHBondContact OD1-NE2 3.14Å
192K39.1Very low39.1Very low148 Ų14882.2 Ų82.264%0.64347%0.471SS*.G310 helixtrans-72.1-2.6167.4-61.5-177.4-179.6179.70113.3F190F190-K192 PolarHBondContact O-N 2.8Å
193L40.8Very low38.7Very low12 Ų1277.5 Ų77.56%0.06344%0.437CS..G310 helixtrans-112.915.7-177-93.8159.3000114.1L164 F174 F190 D191 I195 L196L164-L193 HydrophobicContact CB-CD1 4.35Å; L164-L193 HydrophobicContact CD1-CD1 4.29Å; F174-L193 HydrophobicContact CD1-CD1 4.01Å; F174-L193 HydrophobicContact CD1-CD2 4.15Å; F174-L193 HydrophobicContact CD1-CG 4.24Å; F174-L193 HydrophobicContact CE1-CD1 3.91Å; F174-L193 HydrophobicContact CE1-CD2 3.63Å; F174-L193 HydrophobicContact CE1-CG 3.66Å; F174-L193 HydrophobicContact CE2-CD2 4.38Å; F174-L193 HydrophobicContact CZ-CD2 3.78Å; F174-L193 HydrophobicContact CZ-CG 4.23Å; F190-L193 HydrophobicContact CD1-CB 3.83Å; F190-L193 HydrophobicContact CD1-CD1 3.89Å; F190-L193 HydrophobicContact CD1-CG 4.49Å; F190-L193 HydrophobicContact CE1-CB 4.24Å; F190-L193 HydrophobicContact CE1-CD1 3.74Å; F190-L193 HydrophobicContact CE2-CD1 4.42Å; F190-L193 HydrophobicContact CG-CD1 4.31Å; F190-L193 HydrophobicContact CZ-CD1 4.04Å; F190-L193 WeakPolarHBondContact O-CA 3.48Å; F190-L193 VanDerWaalsContact O-CB 3.3Å; F190-L193 WeakPolarHBondContact O-CB 3.22Å; F190-L193 PolarHBondContact O-N 2.88Å; D191-L193 PolarHBondContact O-N 3.37Å; L193-I195 PolarHBondContact O-N 3.4Å; L193-L196 HydrophobicContact CD2-CD1 4.36Å
194H39.7Very low38.4Very low132 Ų13273.9 Ų73.961%0.61141%0.411SS*.  trans-61.621.9174.8-78.1-47000116.2D191D191-H194 PolarHBondContact O-CD2 3.29Å; D191-H194 IonicContact OD1-CD2 3.02Å; D191-H194 IonicContact OD1-CE1 3.53Å; D191-H194 IonicContact OD1-NE2 2.72Å; D191-H194 PolarHBondContact OD1-NE2 3.14Å
195I43.9Very low38.2Very low93 Ų9375.8 Ų75.848%0.47740%0.397SS..SBendtrans-124.930.6-175.7-39.5177.8000110.9R121 L193R121-I195 PolarHBondContact NH2-O 2.98Å; L193-I195 PolarHBondContact O-N 3.4Å
196L37.4Very low38.2Very low35 Ų3568.5 Ų68.518%0.18336%0.358CS..  trans-133.328.5171-74.2177000112.2R121 T151 L155 L193R121-L196 HydrophobicContact CG-CD1 4.49Å; T151-L196 HydrophobicContact CG2-CD1 4.16Å; T151-L196 HydrophobicContact CG2-CD2 4.26Å; L155-L196 HydrophobicContact CD1-CD1 3.32Å; L193-L196 HydrophobicContact CD2-CD1 4.36Å
197D36.2Very low37.9Very low64 Ų6460.6 Ų60.634%0.34233%0.326SS..  trans-76.6139.9173.1-169.272000112.1R152 G199 S200R152-D197 IonicContact CZ-OD1 3.14Å; R152-D197 IonicContact NE-OD1 2.82Å; R152-D197 IonicContact NH1-OD1 4Å; R152-D197 PolarHBondContact NH1-OD1 3.3Å; D197-G199 VanDerWaalsContact C-N 3.3Å; D197-G199 PolarHBondContact O-N 2.73Å; D197-G199 WeakPolarHBondContact OD2-CA 3.38Å; D197-G199 PolarHBondContact OD2-N 3.43Å; D197-S200 WeakPolarHBondContact O-CB 3.28Å; D197-S200 PolarHBondContact O-N 2.72Å; D197-S200 PolarHBondContact O-OG 3.06Å
198D36.1Very low37.9Very low58 Ų5862.1 Ų62.131%0.3132%0.315SS..THydrogen-bonded Turntrans-88.79.6-178.2-70.4-59.1000114.1G149 G150 T151G149-D198 WeakPolarHBondContact CA-OD1 3.37Å; G149-D198 WeakPolarHBondContact CA-OD2 3.34Å; G150-D198 PolarHBondContact N-OD2 2.72Å; T151-D198 PolarHBondContact N-OD2 3.02Å
199G35.7Very low38Very low12 Ų1259.4 Ų59.412%0.12430%0.296CS..THydrogen-bonded Turntrans-72.5-14.1150.700000113.1D197 D201 I202 V203D197-G199 VanDerWaalsContact C-N 3.3Å; D197-G199 PolarHBondContact O-N 2.73Å; D197-G199 WeakPolarHBondContact OD2-CA 3.38Å; D197-G199 PolarHBondContact OD2-N 3.43Å; G199-D201 PolarHBondContact O-N 2.67Å; G199-D201 VanDerWaalsContact O-N 3.15Å; G199-I202 PolarHBondContact O-N 3.29Å; G199-V203 PolarHBondContact O-N 3.38Å
200S37.6Very low37.8Very low26 Ų2658.5 Ų58.518%0.18229%0.289CS..Hα-helixtrans-61.5-22.8-175.463.10000115D197 I202 T204D197-S200 WeakPolarHBondContact O-CB 3.28Å; D197-S200 PolarHBondContact O-N 2.72Å; D197-S200 PolarHBondContact O-OG 3.06Å; S200-I202 PolarHBondContact O-N 3.38Å; S200-T204 WeakPolarHBondContact O-CA 3.37Å; S200-T204 WeakPolarHBondContact O-CB 3.26Å; S200-T204 PolarHBondContact O-N 3.39Å; S200-T204 PolarHBondContact O-OG1 2.95Å
201D36.9Very low37.8Very low85 Ų8557.8 Ų57.846%0.45529%0.285SS..Hα-helixtrans-73.3-17176.7-165.429.4000112.8G199 R205G199-D201 PolarHBondContact O-N 2.67Å; G199-D201 VanDerWaalsContact O-N 3.15Å; D201-R205 WeakPolarHBondContact O-CD 3.49Å; D201-R205 WeakPolarHBondContact O-CG 3.46Å; D201-R205 PolarHBondContact O-NE 3.05Å; D201-R205 IonicContact OD1-CZ 3.78Å; D201-R205 IonicContact OD1-NE 3.33Å; D201-R205 PolarHBondContact OD1-NE 3.42Å; D201-R205 IonicContact OD1-NH2 3.68Å; D201-R205 PolarHBondContact OD1-NH2 2.72Å; D201-R205 IonicContact OD2-CZ 3.48Å; D201-R205 IonicContact OD2-NE 3.36Å; D201-R205 IonicContact OD2-NH2 3.64Å; D201-R205 PolarHBondContact OD2-NH2 2.72Å
202I36.8Very low37.8Very low51 Ų5155.1 Ų55.126%0.26228%0.277SS..Hα-helixtrans-97.9-44.2167.3-52.9-178.6000110.1G199 S200 T204 R205 F206 T213 K220 V221G199-I202 PolarHBondContact O-N 3.29Å; S200-I202 PolarHBondContact O-N 3.38Å; I202-T204 PolarHBondContact O-N 2.74Å; I202-R205 PolarHBondContact O-N 3.3Å; I202-F206 WeakPolarHBondContact O-CB 3.22Å; I202-F206 PolarHBondContact O-N 3.23Å; I202-T213 HydrophobicContact CG2-CG2 3.83Å; I202-K220 HydrophobicContact CD1-CD 4.31Å; I202-V221 HydrophobicContact CB-CG2 4.34Å; I202-V221 HydrophobicContact CG2-CG2 3.55Å
203V33.2Very low37.9Very low12 Ų1248.8 Ų48.87%0.07325%0.251CS..Hα-helixtrans-66.9-39.3-177.7178.10000112.3G199 F206 I207 V221 F224G199-V203 PolarHBondContact O-N 3.38Å; V203-F206 CarbonylContact O-C 3.5Å; V203-F206 WeakPolarHBondContact O-CB 3.28Å; V203-F206 PolarHBondContact O-N 2.9Å; V203-I207 HydrophobicContact CG1-CD1 3.95Å; V203-I207 VanDerWaalsContact O-CG1 3.27Å; V203-I207 WeakPolarHBondContact O-CG1 3.24Å; V203-I207 PolarHBondContact O-N 2.92Å; V203-V221 HydrophobicContact CG2-CG2 4.23Å; V203-F224 HydrophobicContact CG1-CD1 3.82Å; V203-F224 HydrophobicContact CG1-CE1 3.99Å; V203-F224 HydrophobicContact CG1-CG 4.1Å; V203-F224 HydrophobicContact CG1-CZ 4.42Å; V203-F224 HydrophobicContact CG2-CB 4.19Å; V203-F224 HydrophobicContact CG2-CG 4.38Å
204T35Very low38Very low18 Ų1848.6 Ų48.611%0.1125%0.25CS..Hα-helixtrans-74.6-30.3177.2-44.10000111.6S200 I202 I207 H208S200-T204 WeakPolarHBondContact O-CA 3.37Å; S200-T204 WeakPolarHBondContact O-CB 3.26Å; S200-T204 PolarHBondContact O-N 3.39Å; S200-T204 PolarHBondContact O-OG1 2.95Å; I202-T204 PolarHBondContact O-N 2.74Å; T204-I207 PolarHBondContact O-N 2.76Å; T204-H208 PolarHBondContact O-CD2 3.36Å; T204-H208 PolarHBondContact O-N 3.43Å
205R37.8Very low37.9Very low139 Ų13949.4 Ų49.453%0.52525%0.253SS..Hα-helixtrans-68-38.1167.7-70.6-179-155.9-174.84.4111.2D201 I202 I207 H208 D209 T213D201-R205 WeakPolarHBondContact O-CD 3.49Å; D201-R205 WeakPolarHBondContact O-CG 3.46Å; D201-R205 PolarHBondContact O-NE 3.05Å; D201-R205 IonicContact OD1-CZ 3.78Å; D201-R205 IonicContact OD1-NE 3.33Å; D201-R205 PolarHBondContact OD1-NE 3.42Å; D201-R205 IonicContact OD1-NH2 3.68Å; D201-R205 PolarHBondContact OD1-NH2 2.72Å; D201-R205 IonicContact OD2-CZ 3.48Å; D201-R205 IonicContact OD2-NE 3.36Å; D201-R205 IonicContact OD2-NH2 3.64Å; D201-R205 PolarHBondContact OD2-NH2 2.72Å; I202-R205 PolarHBondContact O-N 3.3Å; R205-I207 VanDerWaalsContact C-N 3.33Å; R205-I207 PolarHBondContact O-N 2.81Å; R205-H208 PolarHBondContact O-N 3.05Å; R205-D209 CarbonylContact O-C 3.53Å; R205-D209 WeakPolarHBondContact O-CA 3.46Å; R205-D209 WeakPolarHBondContact O-CB 3.17Å; R205-D209 PolarHBondContact O-N 3.44Å; R205-T213 VanDerWaalsContact C-OG1 3.29Å; R205-T213 PolarHBondContact O-OG1 3.12Å
206F35.9Very low37.6Very low1 Ų148.3 Ų48.30%0.00426%0.264CS..Hα-helixtrans-66.9-32.2173-179.5-100.3000112.8I202 V203 P210 T213 F218 V221 F225 F486I202-F206 WeakPolarHBondContact O-CB 3.22Å; I202-F206 PolarHBondContact O-N 3.23Å; V203-F206 CarbonylContact O-C 3.5Å; V203-F206 WeakPolarHBondContact O-CB 3.28Å; V203-F206 PolarHBondContact O-N 2.9Å; F206-P210 HydrophobicContact CD2-CB 3.84Å; F206-P210 HydrophobicContact CE2-CB 3.71Å; F206-P210 HydrophobicContact CG-CB 4.46Å; F206-P210 HydrophobicContact CZ-CB 4.26Å; F206-P210 VanDerWaalsContact O-CA 3.22Å; F206-P210 WeakPolarHBondContact O-CA 3.17Å; F206-P210 WeakPolarHBondContact O-CB 3.42Å; F206-P210 WeakPolarHBondContact O-CD 3.13Å; F206-P210 VanDerWaalsContact O-N 3.13Å; F206-T213 HydrophobicContact CB-CG2 4.02Å; F206-T213 PolarHBondContact N-OG1 2.74Å; F206-F218 HydrophobicContact CD2-CE1 4.29Å; F206-F218 HydrophobicContact CD2-CE2 4.22Å; F206-F218 AromaticContact CD2-CZ 3.53Å; F206-F218 HydrophobicContact CD2-CZ 3.53Å; F206-F218 HydrophobicContact CE2-CE1 4.01Å; F206-F218 AromaticContact CE2-CZ 3.48Å; F206-F218 HydrophobicContact CE2-CZ 3.48Å; F206-F218 VanDerWaalsContact CE2-CZ 3.48Å; F206-F218 HydrophobicContact CZ-CZ 4.45Å; F206-V221 HydrophobicContact CD1-CG1 4.36Å; F206-F225 HydrophobicContact CD1-CE2 4.16Å; F206-F225 HydrophobicContact CD1-CZ 4.45Å; F206-F225 AromaticContact CE1-CE2 3.72Å; F206-F225 HydrophobicContact CE1-CE2 3.72Å; F206-F225 AromaticContact CE1-CZ 3.77Å; F206-F225 HydrophobicContact CE1-CZ 3.77Å; F206-F486 HydrophobicContact CE1-CD2 4.16Å; F206-F486 HydrophobicContact CE1-CE1 4.42Å; F206-F486 AromaticContact CE1-CE2 3.99Å; F206-F486 HydrophobicContact CE1-CE2 3.99Å; F206-F486 HydrophobicContact CE1-CG 4.44Å; F206-F486 HydrophobicContact CE1-CZ 4.14Å; F206-F486 AromaticContact CE2-CD1 3.99Å; F206-F486 HydrophobicContact CE2-CD1 3.99Å; F206-F486 HydrophobicContact CE2-CE1 4.3Å; F206-F486 HydrophobicContact CE2-CG 4.23Å; F206-F486 HydrophobicContact CZ-CB 4.09Å; F206-F486 AromaticContact CZ-CD1 3.59Å; F206-F486 HydrophobicContact CZ-CD1 3.59Å; F206-F486 AromaticContact CZ-CD2 3.65Å; F206-F486 HydrophobicContact CZ-CD2 3.65Å; F206-F486 AromaticContact CZ-CE1 3.81Å; F206-F486 HydrophobicContact CZ-CE1 3.81Å; F206-F486 AromaticContact CZ-CE2 3.85Å; F206-F486 HydrophobicContact CZ-CE2 3.85Å; F206-F486 AromaticContact CZ-CG 3.51Å; F206-F486 HydrophobicContact CZ-CG 3.51Å; F206-F486 AromaticContact CZ-CZ 3.94Å; F206-F486 HydrophobicContact CZ-CZ 3.94Å
207I34.9Very low37.8Very low46 Ų4648.3 Ų48.324%0.23627%0.272CS..Hα-helixtrans-72.3-40.5176.3-71.6162.7000112V203 T204 R205V203-I207 HydrophobicContact CG1-CD1 3.95Å; V203-I207 VanDerWaalsContact O-CG1 3.27Å; V203-I207 WeakPolarHBondContact O-CG1 3.24Å; V203-I207 PolarHBondContact O-N 2.92Å; T204-I207 PolarHBondContact O-N 2.76Å; R205-I207 VanDerWaalsContact C-N 3.33Å; R205-I207 PolarHBondContact O-N 2.81Å
208H35.3Very low37.9Very low94 Ų9445.2 Ų45.244%0.43526%0.256SS..Hα-helixtrans-93.6-18.5-179.9-62.6-49.7000114.9T204 R205T204-H208 PolarHBondContact O-CD2 3.36Å; T204-H208 PolarHBondContact O-N 3.43Å; R205-H208 PolarHBondContact O-N 3.05Å
209D41.3Very low38Very low34 Ų3445.8 Ų45.818%0.18226%0.264CS..  trans-152.867.6-177.9-170.2-14.8000110.2R205 Y211 A212 T213 R370 Q411R205-D209 CarbonylContact O-C 3.53Å; R205-D209 WeakPolarHBondContact O-CA 3.46Å; R205-D209 WeakPolarHBondContact O-CB 3.17Å; R205-D209 PolarHBondContact O-N 3.44Å; D209-Y211 PolarHBondContact O-N 3.09Å; D209-A212 VanDerWaalsContact CG-CB 3.48Å; D209-A212 WeakPolarHBondContact OD1-CB 3.02Å; D209-A212 PolarHBondContact OD1-N 3.48Å; D209-A212 WeakPolarHBondContact OD2-CB 3.49Å; D209-T213 WeakPolarHBondContact O-CB 3.35Å; D209-T213 PolarHBondContact O-N 2.89Å; D209-T213 PolarHBondContact O-OG1 3.1Å; D209-R370 IonicContact OD2-NH2 2.67Å; D209-Q411 VanDerWaalsContact CG-NE2 3.31Å; D209-Q411 PolarHBondContact OD1-NE2 3.31Å; D209-Q411 PolarHBondContact OD2-OE1 2.68Å
210P38.7Very low38Very low11 Ų1151.2 Ų51.27%0.07129%0.285CS..Hα-helixtrans-61.7-30.9178.122-30.4000112.1F206 T214 F486 L490F206-P210 HydrophobicContact CD2-CB 3.84Å; F206-P210 HydrophobicContact CE2-CB 3.71Å; F206-P210 HydrophobicContact CG-CB 4.46Å; F206-P210 HydrophobicContact CZ-CB 4.26Å; F206-P210 VanDerWaalsContact O-CA 3.22Å; F206-P210 WeakPolarHBondContact O-CA 3.17Å; F206-P210 WeakPolarHBondContact O-CB 3.42Å; F206-P210 WeakPolarHBondContact O-CD 3.13Å; F206-P210 VanDerWaalsContact O-N 3.13Å; P210-T214 PolarHBondContact O-N 3.2Å; P210-T214 PolarHBondContact O-OG1 3.37Å; P210-F486 HydrophobicContact CB-CD1 4.01Å; P210-F486 HydrophobicContact CB-CE1 3.49Å; P210-F486 VanDerWaalsContact CB-CE1 3.49Å; P210-F486 HydrophobicContact CB-CZ 4.37Å; P210-F486 HydrophobicContact CG-CE1 3.88Å; P210-L490 HydrophobicContact CG-CD2 3.86Å
211Y41.1Very low38Very low40 Ų4050 Ų5016%0.15728%0.276CS..Hα-helixtrans-66.4-48.6-176.6177.6-67.6000113D209 T214 R374 D415 R495D209-Y211 PolarHBondContact O-N 3.09Å; Y211-T214 PolarHBondContact O-OG1 2.84Å; Y211-R374 VanDerWaalsContact CD1-NH1 3.32Å; Y211-D415 WeakPolarHBondContact CE2-OD2 3.19Å; Y211-R495 HydrophobicContact CE2-CG 4.24Å; Y211-R495 PolarHBondContact OH-NE 2.76Å; Y211-R495 PolarHBondContact OH-NH2 3.21Å
212A41Very low38Very low46 Ų4646.2 Ų46.238%0.3826%0.256SS..Hα-helixtrans-78.8-34179.700000110.3D209 T214 F215D209-A212 VanDerWaalsContact CG-CB 3.48Å; D209-A212 WeakPolarHBondContact OD1-CB 3.02Å; D209-A212 PolarHBondContact OD1-N 3.48Å; D209-A212 WeakPolarHBondContact OD2-CB 3.49Å; A212-T214 PolarHBondContact O-N 3.2Å; A212-F215 PolarHBondContact O-N 3.48Å; A212-F215 VanDerWaalsContact O-N 3.13Å
213T40.7Very low37.9Very low16 Ų1647.8 Ų47.810%0.09827%0.265CS..Hα-helixtrans-62.9-28.9179.6-52.40000112.1I202 R205 F206 D209 F215 G216 F218I202-T213 HydrophobicContact CG2-CG2 3.83Å; R205-T213 VanDerWaalsContact C-OG1 3.29Å; R205-T213 PolarHBondContact O-OG1 3.12Å; F206-T213 HydrophobicContact CB-CG2 4.02Å; F206-T213 PolarHBondContact N-OG1 2.74Å; D209-T213 WeakPolarHBondContact O-CB 3.35Å; D209-T213 PolarHBondContact O-N 2.89Å; D209-T213 PolarHBondContact O-OG1 3.1Å; T213-F215 PolarHBondContact O-N 2.95Å; T213-F215 VanDerWaalsContact O-N 3.08Å; T213-G216 PolarHBondContact O-N 2.86Å; T213-F218 HydrophobicContact CG2-CE2 4.11Å; T213-F218 WeakPolarHBondContact O-CE2 3.48Å
214T42.6Very low38Very low7 Ų752.1 Ų52.14%0.04328%0.283CS..THydrogen-bonded Turntrans-60.6-16.5175.315.20000114.5P210 Y211 A212 F218P210-T214 PolarHBondContact O-N 3.2Å; P210-T214 PolarHBondContact O-OG1 3.37Å; Y211-T214 PolarHBondContact O-OG1 2.84Å; A212-T214 PolarHBondContact O-N 3.2Å; T214-F218 HydrophobicContact CG2-CE2 4.02Å; T214-F218 HydrophobicContact CG2-CZ 3.8Å
215F37.7Very low37.9Very low150 Ų15051.7 Ų51.766%0.65828%0.279SS*.THydrogen-bonded Turntrans-96.3-4.4173.3-65.5-88.9000113.9A212 T213A212-F215 PolarHBondContact O-N 3.48Å; A212-F215 VanDerWaalsContact O-N 3.13Å; T213-F215 PolarHBondContact O-N 2.95Å; T213-F215 VanDerWaalsContact O-N 3.08Å
216G38Very low37.9Very low69 Ų6949.1 Ų49.171%0.71127%0.27SS*.THydrogen-bonded Turntrans-105.8-12.8-165.400000117.6T213T213-G216 PolarHBondContact O-N 2.86Å
217G40.7Very low37.8Very low35 Ų3552.4 Ų52.436%0.36130%0.297SS..  trans112.9126.6177.300000114.4
218F38.9Very low37.7Very low0 Ų053.2 Ų53.20%031%0.311CS..  trans-117.1-5-162-104.8-125.2000116.1F206 T213 T214 K220 V221 F541 L545F206-F218 HydrophobicContact CD2-CE1 4.29Å; F206-F218 HydrophobicContact CD2-CE2 4.22Å; F206-F218 AromaticContact CD2-CZ 3.53Å; F206-F218 HydrophobicContact CD2-CZ 3.53Å; F206-F218 HydrophobicContact CE2-CE1 4.01Å; F206-F218 AromaticContact CE2-CZ 3.48Å; F206-F218 HydrophobicContact CE2-CZ 3.48Å; F206-F218 VanDerWaalsContact CE2-CZ 3.48Å; F206-F218 HydrophobicContact CZ-CZ 4.45Å; T213-F218 HydrophobicContact CG2-CE2 4.11Å; T213-F218 WeakPolarHBondContact O-CE2 3.48Å; T214-F218 HydrophobicContact CG2-CE2 4.02Å; T214-F218 HydrophobicContact CG2-CZ 3.8Å; F218-K220 PolarHBondContact O-N 3.24Å; F218-V221 HydrophobicContact CD1-CB 4.21Å; F218-V221 HydrophobicContact CD1-CG1 4.48Å; F218-V221 HydrophobicContact CE1-CG1 4.42Å; F218-V221 PolarHBondContact O-N 2.96Å; F218-F541 HydrophobicContact CB-CD1 4.41Å; F218-F541 HydrophobicContact CB-CE1 3.35Å; F218-F541 HydrophobicContact CB-CZ 3.75Å; F218-F541 HydrophobicContact CD1-CE1 4.48Å; F218-F541 HydrophobicContact CD1-CZ 4.01Å; F218-F541 HydrophobicContact CG-CE1 4.34Å; F218-F541 HydrophobicContact CG-CZ 4.32Å; F218-L545 HydrophobicContact CB-CD2 3.59Å; F218-L545 HydrophobicContact CD1-CD2 4.28Å; F218-L545 HydrophobicContact CD2-CD2 4.03Å; F218-L545 HydrophobicContact CG-CD2 3.73Å
219S38.5Very low37.5Very low69 Ų6952 Ų5248%0.48331%0.307SS..THydrogen-bonded Turntrans-51.2-11.5-175.5148.40000116.5
220K34.8Very low37.2Very low127 Ų12757.3 Ų57.355%0.55233%0.325SS*.THydrogen-bonded Turntrans-107.5-17.4176-62.1-178.8-179.4177.70114.7I202 F218I202-K220 HydrophobicContact CD1-CD 4.31Å; F218-K220 PolarHBondContact O-N 3.24Å
221V37.6Very low36.7Very low0 Ų059.7 Ų59.70%034%0.34CS..Hα-helixtrans-81.4-36.6-174.1-178.60000111.3I202 V203 F206 F218 N223 F224 F225I202-V221 HydrophobicContact CB-CG2 4.34Å; I202-V221 HydrophobicContact CG2-CG2 3.55Å; V203-V221 HydrophobicContact CG2-CG2 4.23Å; F206-V221 HydrophobicContact CD1-CG1 4.36Å; F218-V221 HydrophobicContact CD1-CB 4.21Å; F218-V221 HydrophobicContact CD1-CG1 4.48Å; F218-V221 HydrophobicContact CE1-CG1 4.42Å; F218-V221 PolarHBondContact O-N 2.96Å; V221-N223 VanDerWaalsContact C-N 3.3Å; V221-N223 PolarHBondContact O-N 3.16Å; V221-F224 WeakPolarHBondContact O-CB 3.07Å; V221-F224 PolarHBondContact O-N 2.98Å; V221-F224 VanDerWaalsContact O-N 3.07Å; V221-F225 HydrophobicContact CG1-CD2 3.88Å; V221-F225 HydrophobicContact CG1-CE2 3.84Å; V221-F225 PolarHBondContact O-N 2.86Å
222T38Very low36.1Very low6 Ų664 Ų644%0.03737%0.373CS..Hα-helixtrans-54.2-44.6175.948.20000112.5F224 F225 R226 F541T222-F224 VanDerWaalsContact C-N 3.27Å; T222-F224 PolarHBondContact O-N 2.87Å; T222-F225 PolarHBondContact O-N 2.83Å; T222-R226 WeakPolarHBondContact O-CB 3.43Å; T222-R226 PolarHBondContact O-N 3.33Å; T222-F541 HydrophobicContact CG2-CD1 4.47Å; T222-F541 HydrophobicContact CG2-CD2 3.43Å; T222-F541 VanDerWaalsContact CG2-CD2 3.43Å; T222-F541 HydrophobicContact CG2-CE1 4.4Å; T222-F541 HydrophobicContact CG2-CE2 3.27Å; T222-F541 HydrophobicContact CG2-CG 4.08Å; T222-F541 HydrophobicContact CG2-CZ 3.83Å
223N34.1Very low35.6Very low83 Ų8368.8 Ų68.844%0.44439%0.388SS..Hα-helixtrans-62.7-30.3178.6-76.6-56.7000113.6V221 A227V221-N223 VanDerWaalsContact C-N 3.3Å; V221-N223 PolarHBondContact O-N 3.16Å; N223-A227 WeakPolarHBondContact O-CB 3.32Å; N223-A227 PolarHBondContact O-N 2.9Å; N223-A227 VanDerWaalsContact O-N 3.08Å
224F34.5Very low35.1Very low103 Ų10372.3 Ų72.345%0.45242%0.418SS..Hα-helixtrans-71.2-46.5173.8179.7-98.7000111.4V203 V221 T222 R226 A227 A228V203-F224 HydrophobicContact CG1-CD1 3.82Å; V203-F224 HydrophobicContact CG1-CE1 3.99Å; V203-F224 HydrophobicContact CG1-CG 4.1Å; V203-F224 HydrophobicContact CG1-CZ 4.42Å; V203-F224 HydrophobicContact CG2-CB 4.19Å; V203-F224 HydrophobicContact CG2-CG 4.38Å; V221-F224 WeakPolarHBondContact O-CB 3.07Å; V221-F224 PolarHBondContact O-N 2.98Å; V221-F224 VanDerWaalsContact O-N 3.07Å; T222-F224 VanDerWaalsContact C-N 3.27Å; T222-F224 PolarHBondContact O-N 2.87Å; F224-R226 PolarHBondContact O-N 3.07Å; F224-A227 PolarHBondContact O-N 2.69Å; F224-A228 WeakPolarHBondContact O-CB 3.5Å; F224-A228 PolarHBondContact O-N 3.18Å
225F34.6Very low34.4Very low9 Ų976.6 Ų76.64%0.03946%0.455CS..Hα-helixtrans-64-39.5174.5-81.2-85.4000112.2F206 V221 T222 A227 A228 L229 K453F206-F225 HydrophobicContact CD1-CE2 4.16Å; F206-F225 HydrophobicContact CD1-CZ 4.45Å; F206-F225 AromaticContact CE1-CE2 3.72Å; F206-F225 HydrophobicContact CE1-CE2 3.72Å; F206-F225 AromaticContact CE1-CZ 3.77Å; F206-F225 HydrophobicContact CE1-CZ 3.77Å; V221-F225 HydrophobicContact CG1-CD2 3.88Å; V221-F225 HydrophobicContact CG1-CE2 3.84Å; V221-F225 PolarHBondContact O-N 2.86Å; T222-F225 PolarHBondContact O-N 2.83Å; F225-A227 VanDerWaalsContact C-N 3.3Å; F225-A227 PolarHBondContact O-N 3.26Å; F225-A228 PolarHBondContact O-N 3.33Å; F225-L229 VanDerWaalsContact O-CB 3.28Å; F225-L229 WeakPolarHBondContact O-CB 3.36Å; F225-L229 WeakPolarHBondContact O-CG 3.26Å; F225-L229 PolarHBondContact O-N 3Å; F225-K453 HydrophobicContact CE1-CG 4.2Å
226R37.9Very low33.9Very low86 Ų8675.8 Ų75.833%0.32546%0.462SS..Hα-helixtrans-61.9-35.7175.3-162.5-171.7-142.6162.412.2112.5T222 F224 R230 D478T222-R226 WeakPolarHBondContact O-CB 3.43Å; T222-R226 PolarHBondContact O-N 3.33Å; F224-R226 PolarHBondContact O-N 3.07Å; R226-R230 WeakPolarHBondContact O-CG 3.44Å; R226-R230 PolarHBondContact O-N 3.44Å; R226-D478 IonicContact CZ-OD1 2.71Å; R226-D478 IonicContact NH1-OD1 3.59Å; R226-D478 PolarHBondContact NH1-OD1 3.4Å; R226-D478 IonicContact NH1-OD2 3.44Å; R226-D478 PolarHBondContact NH1-OD2 3.49Å; R226-D478 IonicContact NH2-OD1 2.8Å; R226-D478 PolarHBondContact NH2-OD1 3.47Å
227A33Very low33.4Very low69 Ų6981 Ų8157%0.5747%0.47SS*.Hα-helixtrans-74.1-39.8174.400000112.2N223 F224 F225 L229 R230N223-A227 WeakPolarHBondContact O-CB 3.32Å; N223-A227 PolarHBondContact O-N 2.9Å; N223-A227 VanDerWaalsContact O-N 3.08Å; F224-A227 PolarHBondContact O-N 2.69Å; F225-A227 VanDerWaalsContact C-N 3.3Å; F225-A227 PolarHBondContact O-N 3.26Å; A227-L229 VanDerWaalsContact C-N 3.32Å; A227-L229 PolarHBondContact O-N 2.83Å; A227-R230 PolarHBondContact O-N 3.45Å
228A32.2Very low33Very low64 Ų6491 Ų9153%0.52950%0.497SS..Hα-helixtrans-72.2-22.9177.800000113.9F224 F225F224-A228 WeakPolarHBondContact O-CB 3.5Å; F224-A228 PolarHBondContact O-N 3.18Å; F225-A228 PolarHBondContact O-N 3.33Å
229L32.5Very low32.4Very low69 Ų6994.4 Ų94.436%0.36153%0.531SS..THydrogen-bonded Turntrans-95.94.6176.9-65.3168.5000113.2F225 A227F225-L229 VanDerWaalsContact O-CB 3.28Å; F225-L229 WeakPolarHBondContact O-CB 3.36Å; F225-L229 WeakPolarHBondContact O-CG 3.26Å; F225-L229 PolarHBondContact O-N 3Å; A227-L229 VanDerWaalsContact C-N 3.32Å; A227-L229 PolarHBondContact O-N 2.83Å
230R33.4Very low32Very low144 Ų14496.2 Ų96.254%0.54355%0.55SS.*PPolyproline II helixtrans-97137.2173.7-91.4-171.1-174.4-173.25.7111.8R226 A227 E233R226-R230 WeakPolarHBondContact O-CG 3.44Å; R226-R230 PolarHBondContact O-N 3.44Å; A227-R230 PolarHBondContact O-N 3.45Å; R230-E233 IonicContact CZ-OE1 3.36Å; R230-E233 IonicContact NE-OE1 3.68Å; R230-E233 IonicContact NH1-OE1 2.64Å; R230-E233 PolarHBondContact NH1-OE1 3.45Å
231P28.4Very low31.8Very low62 Ų6299.6 Ų99.640%0.40357%0.568SS.*PPolyproline II helixtrans-65.8166.5161.4-16.731.1000112E233 F255P231-E233 PolarHBondContact O-N 3.02Å; P231-F255 HydrophobicContact CB-CE2 4.36Å; P231-F255 HydrophobicContact CG-CD2 4.1Å; P231-F255 HydrophobicContact CG-CE1 4.24Å; P231-F255 HydrophobicContact CG-CE2 3.24Å; P231-F255 HydrophobicContact CG-CZ 3.33Å
232P29.4Very low31.4Very low131 Ų131106.9 Ų106.985%0.85161%0.607SS**PPolyproline II helixtrans-61.8123.8168.6-18.532.1000111.3A234P232-A234 PolarHBondContact O-N 3.09Å; P232-A234 VanDerWaalsContact O-N 3.14Å
233E30.7Very low31.3Very low146 Ų146112.6 Ų112.668%0.68264%0.644SS**  trans-74103177.6-72.6174.8-158.100111R230 P231 A235R230-E233 IonicContact CZ-OE1 3.36Å; R230-E233 IonicContact NE-OE1 3.68Å; R230-E233 IonicContact NH1-OE1 2.64Å; R230-E233 PolarHBondContact NH1-OE1 3.45Å; P231-E233 PolarHBondContact O-N 3.02Å; E233-A235 PolarHBondContact O-N 3.43Å
234A28.9Very low31.5Very low90 Ų90111.7 Ų111.774%0.74466%0.655SS**  trans-66.2120.1172.500000110.8P232 V236P232-A234 PolarHBondContact O-N 3.09Å; P232-A234 VanDerWaalsContact O-N 3.14Å; A234-V236 PolarHBondContact O-N 2.54Å
235A28.1Very low31.2Very low97 Ų97115 Ų11580%0.80268%0.676SS**  trans-73.698.2-172.500000112.7E233 M237E233-A235 PolarHBondContact O-N 3.43Å; A235-M237 PolarHBondContact O-N 2.95Å
236V28.4Very low31Very low133 Ų133120.2 Ų120.281%0.80671%0.711SS**  trans-71.488.3178.9-175.20000111.7A234 R238A234-V236 PolarHBondContact O-N 2.54Å; V236-R238 PolarHBondContact O-N 3.32Å
237M27.2Very low30.5Very low179 Ų179121.7 Ų121.788%0.88273%0.734SS**  trans-70.1121.8162.1-87.7-70.2170.600110.1A235 G239A235-M237 PolarHBondContact O-N 2.95Å; M237-G239 PolarHBondContact O-N 3.28Å; M237-G239 VanDerWaalsContact O-N 3.07Å
238R32Very low30.3Very low245 Ų245126.5 Ų126.593%0.92575%0.745SS**  trans-74.297.1178.5-73.6-174.1174.1-169-1.8111.8V236V236-R238 PolarHBondContact O-N 3.32Å
239G26.8Very low30.2Very low71 Ų71129 Ų12973%0.73276%0.756SS**PPolyproline II helixtrans-80.9161.3158.800000112.2M237M237-G239 PolarHBondContact O-N 3.28Å; M237-G239 VanDerWaalsContact O-N 3.07Å
240A29.6Very low30Very low106 Ų106132.9 Ų132.988%0.87678%0.777SS**PPolyproline II helixtrans-79.3154.3179.400000112.7
241Q31.6Very low30Very low198 Ų198133.9 Ų133.993%0.92579%0.793SS**PPolyproline II helixtrans-75.6141.8176.6-65.8174.5-42.100111.9
242D29.3Very low29.9Very low153 Ų153138.8 Ų138.882%0.81881%0.811SS**  trans-129.9115.5163.1-165.18.7000108.8G244D242-G244 PolarHBondContact O-N 3.31Å
243P35.1Very low30Very low126 Ų126139 Ų13982%0.81881%0.812SS**  trans-92.387.4-165.434.5-34.5000112.8
244G37.7Very low29.9Very low65 Ų65134.4 Ų134.467%0.6780%0.804SS**  trans-163.516-171.700000122D242D242-G244 PolarHBondContact O-N 3.31Å
245L29.5Very low30.2Very low171 Ų171138.2 Ų138.290%0.89580%0.804SS**  trans-143.1149.8171.2-88.5112.3000113.3
246P28.6Very low30.4Very low119 Ų119141 Ų14177%0.77380%0.8SS**PPolyproline II helixtrans-77.2136.8170.132.6-33.1000111.2
247S28.7Very low30.8Very low117 Ų117141.3 Ų141.382%0.81880%0.797SS**PPolyproline II helixtrans-73.1135.7176.650.30000112.2
248Q29Very low31.6Very low171 Ų171135.2 Ų135.280%0.79977%0.767SS**PPolyproline II helixtrans-78.9159.6160.2-69.1-165.8-16.700110.1
249P29.9Very low32Very low115 Ų115129 Ų12975%0.74776%0.757SS**PPolyproline II helixtrans-78.7117.6169.631.3-30.9000110
250D27.9Very low33Very low151 Ų151126.6 Ų126.681%0.80773%0.729SS**  trans-86113166.7-71.9-52.7000109.1E252D250-E252 VanDerWaalsContact C-N 3.25Å; D250-E252 PolarHBondContact O-N 3.01Å
251D32.4Very low34Very low166 Ų166125.2 Ų125.289%0.88873%0.725SS**  trans-77.469.1176-78.5-50.4000111.7
252E26.4Very low35.4Very low165 Ų165117.7 Ų117.777%0.77169%0.692SS**  trans-92.1143.1155.1-75.7-162143.500110D250 G254D250-E252 VanDerWaalsContact C-N 3.25Å; D250-E252 PolarHBondContact O-N 3.01Å; E252-G254 PolarHBondContact O-N 3.4Å
253P32.7Very low37.5Very low134 Ų134119.3 Ų119.387%0.8770%0.695SS**  trans-73.660.6166.133.6-35.2000110.1
254G27.5Very low39.7Very low50 Ų50115.2 Ų115.252%0.51567%0.666SS.*  trans-64.6158-178.700000112.1E252 E256E252-G254 PolarHBondContact O-N 3.4Å; G254-E256 PolarHBondContact O-N 3.42Å
255F34.9Very low42Very low171 Ų171113.6 Ų113.675%0.7565%0.65SS**  trans-71.196.3-179.2-81.3-115.5000110P231 L257P231-F255 HydrophobicContact CB-CE2 4.36Å; P231-F255 HydrophobicContact CG-CD2 4.1Å; P231-F255 HydrophobicContact CG-CE1 4.24Å; P231-F255 HydrophobicContact CG-CE2 3.24Å; P231-F255 HydrophobicContact CG-CZ 3.33Å; F255-L257 VanDerWaalsContact C-N 3.29Å; F255-L257 PolarHBondContact O-N 2.88Å
256E32.4Very low44.8Very low154 Ų154111.5 Ų111.572%0.7265%0.646SS**  trans-55.2100.9154.3-81.2-161.8134.400107.6G254 I258G254-E256 PolarHBondContact O-N 3.42Å; E256-I258 PolarHBondContact O-N 2.87Å
257L37.6Very low47.8Very low141 Ų141110.4 Ų110.474%0.73863%0.626SS**  trans-53.5114168.2-177.574.1000106.9F255 T259F255-L257 VanDerWaalsContact C-N 3.29Å; F255-L257 PolarHBondContact O-N 2.88Å; L257-T259 HydrophobicContact CD2-CG2 3.96Å; L257-T259 HydrophobicContact CG-CG2 4.19Å; L257-T259 PolarHBondContact O-N 2.83Å; L257-T259 PolarHBondContact O-OG1 3.11Å
258I43.5Very low50.9Low50 Ų50106.8 Ų106.826%0.25660%0.6SS.*  trans-67.782.3-177.3-53.4178.3000108.6E256 C260 I461 K464 Q580E256-I258 PolarHBondContact O-N 2.87Å; I258-C260 HydrophobicContact CG2-CB 4.21Å; I258-C260 WeakPolarHBondContact CG2-SG 3.31Å; I258-C260 PolarHBondContact O-N 3.43Å; I258-I461 HydrophobicContact CD1-CG1 4.24Å; I258-K464 HydrophobicContact CB-CG 4.49Å; I258-K464 HydrophobicContact CG2-CG 4.31Å; I258-Q580 VanDerWaalsContact CD1-OE1 3.26Å
259T40.8Very low53.9Low115 Ų115108.3 Ų108.371%0.70660%0.604SS**  trans-79.364.9176.541.50000108.3L257 G261L257-T259 HydrophobicContact CD2-CG2 3.96Å; L257-T259 HydrophobicContact CG-CG2 4.19Å; L257-T259 PolarHBondContact O-N 2.83Å; L257-T259 PolarHBondContact O-OG1 3.11Å; T259-G261 PolarHBondContact O-N 2.91Å
260C47.9Very low56.8Low21 Ų21103.5 Ų103.514%0.14257%0.573CS.*  trans-69.562.4174.7-90.70000111.9I258 V262I258-C260 HydrophobicContact CG2-CB 4.21Å; I258-C260 WeakPolarHBondContact CG2-SG 3.31Å; I258-C260 PolarHBondContact O-N 3.43Å; C260-V262 PolarHBondContact O-N 2.99Å
261G50.1Low59.8Low77 Ų77101.5 Ų101.579%0.79457%0.566SS**  trans-77.529.815000000111.5T259 E263T259-G261 PolarHBondContact O-N 2.91Å; G261-E263 PolarHBondContact O-N 2.85Å
262V61.6Low62.7Low40 Ų4095.7 Ų95.724%0.24253%0.532CS..  trans-80.1103.3178.8176.20000107.2C260 L264 C574 P578C260-V262 PolarHBondContact O-N 2.99Å; V262-L264 HydrophobicContact CG1-CD2 4.3Å; V262-L264 PolarHBondContact O-N 3.22Å; V262-C574 WeakPolarHBondContact CG1-SG 3.43Å; V262-P578 HydrophobicContact CG2-CG 4.34Å
263E72.8Confident65.8Low186 Ų18689.6 Ų89.687%0.86951%0.514SS*.  trans-65.397173.1-69.3-17016400109.7G261 G265G261-E263 PolarHBondContact O-N 2.85Å; E263-G265 PolarHBondContact O-N 3.29Å
264L82.9Confident68.7Low40 Ų4091.5 Ų91.521%0.20951%0.511CS..PPolyproline II helixtrans-61.6130.2171.7-66.7-174.9000109.8V262 A465 L466 Q570 L571 C574V262-L264 HydrophobicContact CG1-CD2 4.3Å; V262-L264 PolarHBondContact O-N 3.22Å; L264-A465 WeakPolarHBondContact CD1-O 3.37Å; L264-L466 HydrophobicContact CD1-CD2 3.95Å; L264-Q570 HydrophobicContact CB-CG 4.31Å; L264-L571 HydrophobicContact CD1-CD2 4.4Å; L264-L571 HydrophobicContact CD2-CD2 4.04Å; L264-C574 HydrophobicContact CD2-CB 4.2Å
265G84.2Confident71.9Confident32 Ų3290.9 Ų90.933%0.3350%0.501SS..PPolyproline II helixtrans-60.5167.2176.200000112.7E263 R267 Q570E263-G265 PolarHBondContact O-N 3.29Å; G265-R267 PolarHBondContact O-N 2.95Å; G265-Q570 WeakPolarHBondContact O-CG 3.4Å; G265-Q570 PolarHBondContact O-NE2 3.13Å
266P89.8Confident74.8Confident126 Ų12683 Ų8382%0.81847%0.467SS*.PPolyproline II helixtrans-59.1139.3-178.525.8-35.3000111.8P268P266-P268 WeakPolarHBondContact O-CD 3.4Å; P266-P268 VanDerWaalsContact O-N 3.16Å
267R91.8Very high77.7Confident96 Ų9679.9 Ų79.936%0.36246%0.458SS..PPolyproline II helixtrans-53.2119.8178.9-84.2-170.7-176.2-134.3-8.8110.9G265 E528 E563 V566 Q570G265-R267 PolarHBondContact O-N 2.95Å; R267-E528 IonicContact CZ-OE1 2.79Å; R267-E528 IonicContact CZ-OE2 2.65Å; R267-E528 IonicContact NH1-OE2 3.74Å; R267-E528 PolarHBondContact NH1-OE2 2.87Å; R267-E528 IonicContact NH2-OE1 3.85Å; R267-E528 PolarHBondContact NH2-OE1 2.91Å; R267-E528 IonicContact NH2-OE2 2.91Å; R267-E528 PolarHBondContact NH2-OE2 2.75Å; R267-E563 IonicContact CZ-OE2 2.76Å; R267-E563 IonicContact NH1-OE2 2.8Å; R267-E563 PolarHBondContact NH1-OE2 3.33Å; R267-V566 HydrophobicContact CB-CG1 3.64Å; R267-V566 HydrophobicContact CG-CG1 3.62Å; R267-Q570 VanDerWaalsContact CG-OE1 3.29Å
268P93.1Very high80.2Confident42 Ų4278.4 Ų78.427%0.27345%0.447SS..PPolyproline II helixtrans-71.8147.7-17827.7-33.4000110.9P266 V270 R569P266-P268 WeakPolarHBondContact O-CD 3.4Å; P266-P268 VanDerWaalsContact O-N 3.16Å; P268-V270 PolarHBondContact O-N 3.12Å; P268-R569 HydrophobicContact CB-CB 4.44Å; P268-R569 HydrophobicContact CG-CB 3.47Å; P268-R569 VanDerWaalsContact CG-CB 3.47Å
269K90.9Very high82.7Confident203 Ų20376.5 Ų76.588%0.88344%0.437SS*.PPolyproline II helixtrans-71.5127.3174.5-67.1-171.3177.6-174.80110.6
270V92.4Very high85.2Confident14 Ų1477 Ų779%0.08543%0.431CS..  trans-125.3150177.1179.20000109P268 L562 E565 V566P268-V270 PolarHBondContact O-N 3.12Å; V270-L562 HydrophobicContact CB-CG 4.5Å; V270-E565 HydrophobicContact CG1-CB 4.09Å; V270-E565 HydrophobicContact CG1-CG 3.98Å; V270-E565 WeakPolarHBondContact CG1-OE2 3.4Å; V270-E565 HydrophobicContact CG2-CG 4.39Å; V270-V566 HydrophobicContact CB-CG2 3.76Å; V270-V566 HydrophobicContact CG2-CB 4.39Å; V270-V566 HydrophobicContact CG2-CG2 3.58Å
271T91.3Very high87.4Confident109 Ų10981.9 Ų81.967%0.66945%0.452SS*.  trans-136133.2173.852.60000109.5
272R93.1Very high89.6Confident43 Ų4379.3 Ų79.316%0.16242%0.419CS..  trans-65.5154.1166.1-55.1-62-65.3146.87.7109.7F300 R301 L562R272-F300 VanDerWaalsContact CZ-O 3.25Å; R272-F300 PolarHBondContact NH1-O 3.38Å; R272-F300 PolarHBondContact NH2-O 3.28Å; R272-R301 PolarHBondContact NE-O 3.15Å; R272-R301 PolarHBondContact NH2-O 2.89Å; R272-R301 VanDerWaalsContact NH2-O 3.12Å; R272-L562 HydrophobicContact CG-CB 4.36Å; R272-L562 HydrophobicContact CG-CD1 4.46Å
273G91.5Very high91.3Very high38 Ų3879.1 Ų79.139%0.39242%0.416SS..  trans-98-173.7175.600000112.7R301G273-R301 PolarHBondContact N-O 3.05Å
274Q92.9Very high92.5Very high174 Ų17472.3 Ų72.381%0.81339%0.386SS*.PPolyproline II helixtrans-84151.6166.3-65.6-178.2-3.100109.9
275A94.4Very high93.1Very high37 Ų3776.5 Ų76.531%0.30642%0.418SS..PPolyproline II helixtrans-60.4156.6173.900000111.9V277 G302 G303A275-V277 WeakPolarHBondContact O-CG2 3.47Å; A275-V277 PolarHBondContact O-N 3.03Å; A275-G302 VanDerWaalsContact CA-O 3.25Å; A275-G302 WeakPolarHBondContact CA-O 3.47Å; A275-G302 VanDerWaalsContact CB-O 3.29Å; A275-G302 WeakPolarHBondContact CB-O 3.4Å; A275-G303 WeakPolarHBondContact CA-O 3.13Å
276L95.3Very high93.7Very high6 Ų680 Ų803%0.03143%0.426CS..BIsolated β-bridgetrans-64.1122.1172.2-17763.5000110.2W279 F282 V295 L298 V299 G303 T305 V312L276-W279 HydrophobicContact CD2-CE3 4.12Å; L276-F282 HydrophobicContact CD1-CD2 4.27Å; L276-F282 HydrophobicContact CD1-CE2 3.77Å; L276-F282 HydrophobicContact CD1-CZ 4.34Å; L276-V295 HydrophobicContact CD2-CG1 4.18Å; L276-L298 HydrophobicContact CD1-CD1 4.3Å; L276-V299 HydrophobicContact CD2-CG2 4.09Å; L276-G303 PolarHBondContact N-O 3.03Å; L276-T305 VanDerWaalsContact O-CB 3.27Å; L276-T305 WeakPolarHBondContact O-CB 3.43Å; L276-T305 PolarHBondContact O-N 3.45Å; L276-T305 VanDerWaalsContact O-N 3.17Å; L276-T305 PolarHBondContact O-OG1 3.26Å; L276-V312 HydrophobicContact CD2-CG1 4.35Å; L276-V312 HydrophobicContact CD2-CG2 4.15Å
277V93.2Very high94Very high88 Ų8874.4 Ų74.453%0.53339%0.391SS..  trans-119.8-40.2179.6-170.60000113.2A275 W279 L308A275-V277 WeakPolarHBondContact O-CG2 3.47Å; A275-V277 PolarHBondContact O-N 3.03Å; V277-W279 PolarHBondContact O-N 3.49Å; V277-L308 WeakPolarHBondContact O-CD1 3.44Å
278Q91Very high94.3Very high109 Ų10973.4 Ų73.451%0.50939%0.387SS..  trans-100.465.4-171.3-69.2159.8-90.700111.4E280 E281 F282Q278-E280 VanDerWaalsContact C-N 3.32Å; Q278-E280 PolarHBondContact O-N 2.82Å; Q278-E281 HydrophobicContact CB-CG 4.18Å; Q278-E281 VanDerWaalsContact NE2-CD 3.35Å; Q278-E281 PolarHBondContact NE2-OE1 2.85Å; Q278-E281 PolarHBondContact NE2-OE2 3.09Å; Q278-E281 PolarHBondContact O-N 3.31Å; Q278-F282 WeakPolarHBondContact O-CD2 3.34Å; Q278-F282 WeakPolarHBondContact O-CE2 3.47Å
279W94.8Very high94.6Very high11 Ų1171.4 Ų71.44%0.04237%0.374CS..G310 helixtrans-60.1-40.2-174.4175.6-127.5000113.2L276 V277 E281 F282 L283 V289 V295 L308 V312 F315L276-W279 HydrophobicContact CD2-CE3 4.12Å; V277-W279 PolarHBondContact O-N 3.49Å; W279-E281 PolarHBondContact O-N 3.32Å; W279-F282 WeakPolarHBondContact O-CB 3.17Å; W279-F282 PolarHBondContact O-N 3.09Å; W279-L283 HydrophobicContact CZ2-CD2 4.01Å; W279-V289 HydrophobicContact CH2-CG2 3.69Å; W279-V289 HydrophobicContact CZ2-CG2 4.23Å; W279-V289 HydrophobicContact CZ3-CG2 4.48Å; W279-V295 HydrophobicContact CZ3-CG1 4.01Å; W279-V295 HydrophobicContact CZ3-CG2 4.11Å; W279-L308 HydrophobicContact CB-CD1 3.89Å; W279-L308 HydrophobicContact CB-CD2 3.67Å; W279-L308 HydrophobicContact CB-CG 4.4Å; W279-L308 HydrophobicContact CG-CD2 4.24Å; W279-V312 HydrophobicContact CD2-CG2 4.01Å; W279-V312 HydrophobicContact CE3-CG2 4.01Å; W279-V312 HydrophobicContact CH2-CG2 4.47Å; W279-V312 HydrophobicContact CZ2-CG2 4.48Å; W279-V312 HydrophobicContact CZ3-CG2 4.25Å; W279-F315 HydrophobicContact CH2-CD2 4.12Å; W279-F315 HydrophobicContact CH2-CE2 4.28Å; W279-F315 AromaticContact CZ2-CD2 3.9Å; W279-F315 HydrophobicContact CZ2-CD2 3.9Å; W279-F315 AromaticContact CZ2-CE2 3.68Å; W279-F315 HydrophobicContact CZ2-CE2 3.68Å; W279-F315 HydrophobicContact CZ2-CZ 4.31Å
280E94.3Very high94.8Very high126 Ų12667.2 Ų67.259%0.58936%0.356SS*.G310 helixtrans-62.5-28.4-175-63.168.3-150.500112.2Q278 F282 L283Q278-E280 VanDerWaalsContact C-N 3.32Å; Q278-E280 PolarHBondContact O-N 2.82Å; E280-F282 PolarHBondContact O-N 3.12Å; E280-L283 PolarHBondContact O-N 3.48Å; E280-L283 VanDerWaalsContact O-N 3.14Å
281E95.1Very high94.9Very high122 Ų12270 Ų7057%0.5737%0.37SS*.G310 helixtrans-67.6-24.6177.2-65.9-174.9-16900112.6Q278 W279 L283 K290Q278-E281 HydrophobicContact CB-CG 4.18Å; Q278-E281 VanDerWaalsContact NE2-CD 3.35Å; Q278-E281 PolarHBondContact NE2-OE1 2.85Å; Q278-E281 PolarHBondContact NE2-OE2 3.09Å; Q278-E281 PolarHBondContact O-N 3.31Å; W279-E281 PolarHBondContact O-N 3.32Å; E281-L283 VanDerWaalsContact C-N 3.35Å; E281-K290 PolarHBondContact O-NZ 3.14Å
282F96.1Very high95.2Very high23 Ų2365.4 Ų65.410%0.10134%0.342CS..G310 helixtrans-83.6-10.3175.9-60.5-90.8000112.8L276 Q278 W279 E280 V289 K290 K294 V295 L298L276-F282 HydrophobicContact CD1-CD2 4.27Å; L276-F282 HydrophobicContact CD1-CE2 3.77Å; L276-F282 HydrophobicContact CD1-CZ 4.34Å; Q278-F282 WeakPolarHBondContact O-CD2 3.34Å; Q278-F282 WeakPolarHBondContact O-CE2 3.47Å; W279-F282 WeakPolarHBondContact O-CB 3.17Å; W279-F282 PolarHBondContact O-N 3.09Å; E280-F282 PolarHBondContact O-N 3.12Å; F282-V289 HydrophobicContact CB-CG1 4.45Å; F282-V289 WeakPolarHBondContact O-CA 3.42Å; F282-K290 WeakPolarHBondContact O-CB 3.24Å; F282-K290 WeakPolarHBondContact O-CG 3.42Å; F282-K290 PolarHBondContact O-N 3.09Å; F282-K294 HydrophobicContact CE1-CD 4.04Å; F282-K294 HydrophobicContact CE1-CG 4.16Å; F282-V295 HydrophobicContact CB-CG2 3.95Å; F282-V295 HydrophobicContact CD1-CG2 3.47Å; F282-V295 VanDerWaalsContact CD1-CG2 3.47Å; F282-V295 HydrophobicContact CD2-CG2 4.47Å; F282-V295 HydrophobicContact CE1-CG2 4.12Å; F282-V295 HydrophobicContact CG-CG2 3.69Å; F282-L298 HydrophobicContact CE1-CD1 3.81Å; F282-L298 HydrophobicContact CE2-CD1 4.27Å; F282-L298 HydrophobicContact CZ-CD1 3.35Å
283L97.1Very high95.4Very high36 Ų3668.2 Ų68.219%0.18836%0.357CS..BIsolated β-bridgetrans-93.5135.9-179.4-57.7-177.8000112.3W279 E280 E281 R288 V289 K290W279-L283 HydrophobicContact CZ2-CD2 4.01Å; E280-L283 PolarHBondContact O-N 3.48Å; E280-L283 VanDerWaalsContact O-N 3.14Å; E281-L283 VanDerWaalsContact C-N 3.35Å; L283-R288 CarbonylContact C-O 3.58Å; L283-R288 WeakPolarHBondContact CA-O 3.42Å; L283-V289 HydrophobicContact CD2-CG2 4.02Å; L283-K290 VanDerWaalsContact C-CE 3.43Å; L283-K290 WeakPolarHBondContact O-CE 3.39Å; L283-K290 PolarHBondContact O-NZ 3.1Å
284D96.7Very high95.7Very high44 Ų4471.9 Ų71.924%0.23536%0.362CS..  trans-79178.5168.580.73.4000112.5E286 G287 R288 K290D284-E286 PolarHBondContact O-N 2.72Å; D284-E286 VanDerWaalsContact O-N 3.12Å; D284-E286 WeakPolarHBondContact OD1-CA 3.23Å; D284-E286 PolarHBondContact OD1-N 3.37Å; D284-G287 PolarHBondContact O-N 2.85Å; D284-G287 PolarHBondContact OD1-N 2.9Å; D284-R288 PolarHBondContact N-O 3.17Å; D284-R288 PolarHBondContact OD1-N 2.89Å; D284-R288 IonicContact OD1-NE 3.88Å; D284-R288 IonicContact OD1-NH2 3.11Å; D284-R288 IonicContact OD2-CZ 2.69Å; D284-R288 IonicContact OD2-NE 2.83Å; D284-R288 PolarHBondContact OD2-NE 2.95Å; D284-R288 IonicContact OD2-NH2 3.37Å; D284-R288 PolarHBondContact OD2-NH2 2.67Å; D284-K290 HydrophobicContact CB-CG 4.26Å
285S96.8Very high95.9Very high128 Ų12863.6 Ų63.690%0.89532%0.324SS*.THydrogen-bonded Turntrans-64.9-11.9-177.852.60000114.9
286E96.9Very high96.1Very high106 Ų10663.8 Ų63.850%0.49532%0.318SS..THydrogen-bonded Turntrans-108.55.5174.6-57.1-170.7102.100111.6D284 R288 T325 S326D284-E286 PolarHBondContact O-N 2.72Å; D284-E286 VanDerWaalsContact O-N 3.12Å; D284-E286 WeakPolarHBondContact OD1-CA 3.23Å; D284-E286 PolarHBondContact OD1-N 3.37Å; E286-R288 IonicContact OE2-CZ 3.21Å; E286-R288 IonicContact OE2-NH1 2.69Å; E286-R288 PolarHBondContact OE2-NH1 3.24Å; E286-R288 IonicContact OE2-NH2 2.75Å; E286-R288 PolarHBondContact OE2-NH2 2.92Å; E286-T325 HydrophobicContact CB-CG2 3.78Å; E286-T325 CarbonylContact O-C 3.52Å; E286-T325 WeakPolarHBondContact O-CA 3.4Å; E286-T325 VanDerWaalsContact O-CB 3.23Å; E286-T325 WeakPolarHBondContact O-CB 3.45Å; E286-S326 PolarHBondContact O-N 3.35Å
287G96.4Very high96.2Very high7 Ų766.6 Ų66.67%0.07233%0.333CS..SBendtrans8219.8177.400000115D284 R329D284-G287 PolarHBondContact O-N 2.85Å; D284-G287 PolarHBondContact OD1-N 2.9Å; G287-R329 PolarHBondContact O-NH1 2.84Å; G287-R329 PolarHBondContact O-NH2 3.46Å
288R97.6Very high96.4Very high75 Ų7565 Ų6528%0.28332%0.321SS..  trans-84.8144.8174.1-59.1-179.9-72.8-108.1-12.9111.1L283 D284 E286 K290 K323 S324 T325L283-R288 CarbonylContact C-O 3.58Å; L283-R288 WeakPolarHBondContact CA-O 3.42Å; D284-R288 PolarHBondContact N-O 3.17Å; D284-R288 PolarHBondContact OD1-N 2.89Å; D284-R288 IonicContact OD1-NE 3.88Å; D284-R288 IonicContact OD1-NH2 3.11Å; D284-R288 IonicContact OD2-CZ 2.69Å; D284-R288 IonicContact OD2-NE 2.83Å; D284-R288 PolarHBondContact OD2-NE 2.95Å; D284-R288 IonicContact OD2-NH2 3.37Å; D284-R288 PolarHBondContact OD2-NH2 2.67Å; E286-R288 IonicContact OE2-CZ 3.21Å; E286-R288 IonicContact OE2-NH1 2.69Å; E286-R288 PolarHBondContact OE2-NH1 3.24Å; E286-R288 IonicContact OE2-NH2 2.75Å; E286-R288 PolarHBondContact OE2-NH2 2.92Å; R288-K290 PolarHBondContact O-N 2.71Å; R288-K323 WeakPolarHBondContact CD-O 3.31Å; R288-K323 VanDerWaalsContact CG-O 3.31Å; R288-K323 WeakPolarHBondContact CG-O 3.24Å; R288-S324 WeakPolarHBondContact CA-O 3.33Å; R288-S324 WeakPolarHBondContact CG-O 3.19Å; R288-T325 HydrophobicContact CG-CG2 3.74Å
289V97.9Very high96.7Very high0 Ų059.8 Ų59.80%030%0.296CS..BIsolated β-bridgetrans-74.3113.2174.9-172.40000109.4W279 F282 L283 P292 V295 F315 W322 K323W279-V289 HydrophobicContact CH2-CG2 3.69Å; W279-V289 HydrophobicContact CZ2-CG2 4.23Å; W279-V289 HydrophobicContact CZ3-CG2 4.48Å; F282-V289 HydrophobicContact CB-CG1 4.45Å; F282-V289 WeakPolarHBondContact O-CA 3.42Å; L283-V289 HydrophobicContact CD2-CG2 4.02Å; V289-P292 HydrophobicContact CB-CG 4.38Å; V289-P292 HydrophobicContact CG1-CG 4.22Å; V289-V295 HydrophobicContact CG1-CG2 3.94Å; V289-F315 HydrophobicContact CG2-CD1 4.42Å; V289-F315 HydrophobicContact CG2-CE1 4.19Å; V289-W322 HydrophobicContact CB-CE3 4.26Å; V289-W322 VanDerWaalsContact CB-O 3.29Å; V289-W322 WeakPolarHBondContact CB-O 3.49Å; V289-W322 HydrophobicContact CG1-CE3 4.17Å; V289-W322 HydrophobicContact CG2-CE3 4.06Å; V289-W322 PolarHBondContact N-O 3.15Å; V289-W322 VanDerWaalsContact N-O 3.15Å; V289-K323 PolarHBondContact O-NZ 3.05Å
290K95.8Very high96.9Very high116 Ų11659.4 Ų59.450%0.50430%0.295SS..SBendtrans-55.6-53.4-178.6-67.8164.4-175.1147.80111.3E281 F282 L283 D284 R288 K323E281-K290 PolarHBondContact O-NZ 3.14Å; F282-K290 WeakPolarHBondContact O-CB 3.24Å; F282-K290 WeakPolarHBondContact O-CG 3.42Å; F282-K290 PolarHBondContact O-N 3.09Å; L283-K290 VanDerWaalsContact C-CE 3.43Å; L283-K290 WeakPolarHBondContact O-CE 3.39Å; L283-K290 PolarHBondContact O-NZ 3.1Å; D284-K290 HydrophobicContact CB-CG 4.26Å; R288-K290 PolarHBondContact O-N 2.71Å; K290-K323 PolarHBondContact O-NZ 3.17Å
291D95.6Very high97Very high71 Ų7155.8 Ų55.838%0.3828%0.276SS..  trans-134.388-173.2-173.7-11.9000110.2E293 K294 V295D291-E293 VanDerWaalsContact C-N 3.33Å; D291-E293 PolarHBondContact O-N 3.16Å; D291-E293 PolarHBondContact OD1-N 3.24Å; D291-K294 HydrophobicContact CB-CB 4.1Å; D291-K294 WeakPolarHBondContact OD1-CB 3.49Å; D291-K294 PolarHBondContact OD1-N 2.88Å; D291-K294 WeakPolarHBondContact OD2-CB 3.39Å; D291-V295 WeakPolarHBondContact O-CG2 3.21Å; D291-V295 PolarHBondContact O-N 3.4Å
292P97.2Very high97Very high13 Ų1350.6 Ų50.68%0.08426%0.255CS..Hα-helixtrans-65.1-33-179.3-24.136.4000113.4V289 V295 K296 W322V289-P292 HydrophobicContact CB-CG 4.38Å; V289-P292 HydrophobicContact CG1-CG 4.22Å; P292-V295 WeakPolarHBondContact O-CB 3.49Å; P292-V295 PolarHBondContact O-N 3.41Å; P292-K296 WeakPolarHBondContact O-CG 3.3Å; P292-K296 PolarHBondContact O-N 3.33Å; P292-W322 HydrophobicContact CB-CB 4.02Å; P292-W322 HydrophobicContact CB-CD2 3.85Å; P292-W322 HydrophobicContact CB-CE3 3.78Å; P292-W322 HydrophobicContact CB-CG 3.97Å; P292-W322 HydrophobicContact CG-CB 3.76Å; P292-W322 HydrophobicContact CG-CD2 4.49Å; P292-W322 HydrophobicContact CG-CE3 4.4Å; P292-W322 HydrophobicContact CG-CG 4.27Å
293E97.4Very high97Very high103 Ų10349.6 Ų49.648%0.48125%0.251SS..Hα-helixtrans-74.7-35.3-176.7-53.3-48118.800111.2D291 V295 K296 D297D291-E293 VanDerWaalsContact C-N 3.33Å; D291-E293 PolarHBondContact O-N 3.16Å; D291-E293 PolarHBondContact OD1-N 3.24Å; E293-V295 VanDerWaalsContact C-N 3.35Å; E293-K296 PolarHBondContact O-N 2.97Å; E293-K296 WeakPolarHBondContact OE1-CE 3.42Å; E293-K296 IonicContact OE1-NZ 2.76Å; E293-K296 PolarHBondContact OE1-NZ 3.44Å; E293-K296 WeakPolarHBondContact OE2-CD 3.12Å; E293-K296 IonicContact OE2-NZ 2.63Å; E293-K296 PolarHBondContact OE2-NZ 3.24Å; E293-D297 PolarHBondContact O-N 3.39Å
294K96.3Very high97.1Very high114 Ų11448.1 Ų48.150%0.49624%0.244SC..Hα-helixtrans-65.9-35168.1-175.4-178.9175.4-170.40112.8F282 D291 L298F282-K294 HydrophobicContact CE1-CD 4.04Å; F282-K294 HydrophobicContact CE1-CG 4.16Å; D291-K294 HydrophobicContact CB-CB 4.1Å; D291-K294 WeakPolarHBondContact OD1-CB 3.49Å; D291-K294 PolarHBondContact OD1-N 2.88Å; D291-K294 WeakPolarHBondContact OD2-CB 3.39Å; K294-L298 HydrophobicContact CG-CD1 4.35Å; K294-L298 VanDerWaalsContact O-CG 3.31Å; K294-L298 WeakPolarHBondContact O-CG 3.34Å; K294-L298 PolarHBondContact O-N 3.08Å; K294-L298 VanDerWaalsContact O-N 3.09Å
295V97.7Very high97.1Very high0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-62.8-46.3171.1171.20000110.1L276 W279 F282 V289 D291 P292 E293 L298 V299 W322L276-V295 HydrophobicContact CD2-CG1 4.18Å; W279-V295 HydrophobicContact CZ3-CG1 4.01Å; W279-V295 HydrophobicContact CZ3-CG2 4.11Å; F282-V295 HydrophobicContact CB-CG2 3.95Å; F282-V295 HydrophobicContact CD1-CG2 3.47Å; F282-V295 VanDerWaalsContact CD1-CG2 3.47Å; F282-V295 HydrophobicContact CD2-CG2 4.47Å; F282-V295 HydrophobicContact CE1-CG2 4.12Å; F282-V295 HydrophobicContact CG-CG2 3.69Å; V289-V295 HydrophobicContact CG1-CG2 3.94Å; D291-V295 WeakPolarHBondContact O-CG2 3.21Å; D291-V295 PolarHBondContact O-N 3.4Å; P292-V295 WeakPolarHBondContact O-CB 3.49Å; P292-V295 PolarHBondContact O-N 3.41Å; E293-V295 VanDerWaalsContact C-N 3.35Å; V295-L298 PolarHBondContact O-N 3.14Å; V295-V299 HydrophobicContact CG1-CG2 4.33Å; V295-V299 WeakPolarHBondContact O-CG2 3.47Å; V295-V299 PolarHBondContact O-N 3.4Å; V295-W322 HydrophobicContact CB-CZ3 4.32Å; V295-W322 HydrophobicContact CG1-CH2 4.17Å; V295-W322 HydrophobicContact CG1-CZ3 3.89Å
296K98.3Very high97.1Very high42 Ų4245.4 Ų45.418%0.18323%0.225CC..Hα-helixtrans-59.9-45.4176.5-71.4173.1-170.7166.40112.7P292 E293 L298 V299 F300 T511 L513P292-K296 WeakPolarHBondContact O-CG 3.3Å; P292-K296 PolarHBondContact O-N 3.33Å; E293-K296 PolarHBondContact O-N 2.97Å; E293-K296 WeakPolarHBondContact OE1-CE 3.42Å; E293-K296 IonicContact OE1-NZ 2.76Å; E293-K296 PolarHBondContact OE1-NZ 3.44Å; E293-K296 WeakPolarHBondContact OE2-CD 3.12Å; E293-K296 IonicContact OE2-NZ 2.63Å; E293-K296 PolarHBondContact OE2-NZ 3.24Å; K296-L298 PolarHBondContact O-N 3.44Å; K296-V299 PolarHBondContact O-N 3.18Å; K296-F300 VanDerWaalsContact O-CB 3.22Å; K296-F300 WeakPolarHBondContact O-CB 3.24Å; K296-F300 PolarHBondContact O-N 3Å; K296-T511 HydrophobicContact CB-CG2 4.38Å; K296-T511 WeakPolarHBondContact O-CG2 3.36Å; K296-L513 HydrophobicContact CB-CD1 3.89Å
297D97.4Very high97.1Very high65 Ų6547.6 Ų47.635%0.34824%0.24SC..Hα-helixtrans-61-44.5175.6175.468.6000110.9E293 V299 F300 R301 L513E293-D297 PolarHBondContact O-N 3.39Å; D297-V299 PolarHBondContact O-N 3.31Å; D297-F300 PolarHBondContact O-N 3.46Å; D297-R301 VanDerWaalsContact O-CB 3.23Å; D297-R301 WeakPolarHBondContact O-CB 3.4Å; D297-R301 WeakPolarHBondContact O-CG 3.32Å; D297-R301 PolarHBondContact O-N 2.84Å; D297-R301 WeakPolarHBondContact OD1-CG 3.48Å; D297-R301 IonicContact OD1-CZ 3.04Å; D297-R301 IonicContact OD1-NE 3.65Å; D297-R301 PolarHBondContact OD1-NE 2.89Å; D297-R301 IonicContact OD1-NH2 2.69Å; D297-L513 HydrophobicContact CB-CD1 4.43Å
298L97.3Very high97.1Very high53 Ų5348.3 Ų48.328%0.27724%0.242SC..Hα-helixtrans-60.3-42.9177.3-71169.1000112.8L276 F282 K294 V295 K296 R301 G302L276-L298 HydrophobicContact CD1-CD1 4.3Å; F282-L298 HydrophobicContact CE1-CD1 3.81Å; F282-L298 HydrophobicContact CE2-CD1 4.27Å; F282-L298 HydrophobicContact CZ-CD1 3.35Å; K294-L298 HydrophobicContact CG-CD1 4.35Å; K294-L298 VanDerWaalsContact O-CG 3.31Å; K294-L298 WeakPolarHBondContact O-CG 3.34Å; K294-L298 PolarHBondContact O-N 3.08Å; K294-L298 VanDerWaalsContact O-N 3.09Å; V295-L298 PolarHBondContact O-N 3.14Å; K296-L298 PolarHBondContact O-N 3.44Å; L298-R301 PolarHBondContact O-N 3.02Å; L298-G302 PolarHBondContact O-N 3.44Å
299V98.3Very high97.1Very high0 Ų045.4 Ų45.40%023%0.231CC..Hα-helixtrans-66.2-43.4174.8175.30000111.1L276 V295 K296 D297 R301 G302 G303 V304 V312 L316 E507 T511L276-V299 HydrophobicContact CD2-CG2 4.09Å; V295-V299 HydrophobicContact CG1-CG2 4.33Å; V295-V299 WeakPolarHBondContact O-CG2 3.47Å; V295-V299 PolarHBondContact O-N 3.4Å; K296-V299 PolarHBondContact O-N 3.18Å; D297-V299 PolarHBondContact O-N 3.31Å; V299-R301 VanDerWaalsContact C-N 3.27Å; V299-R301 PolarHBondContact O-N 2.99Å; V299-G302 PolarHBondContact O-N 3.35Å; V299-G303 WeakPolarHBondContact O-CA 3.44Å; V299-G303 PolarHBondContact O-N 3.49Å; V299-V304 HydrophobicContact CG1-CG2 4Å; V299-V304 HydrophobicContact CG2-CG2 3.8Å; V299-V312 HydrophobicContact CG2-CG1 4.5Å; V299-L316 HydrophobicContact CG1-CD1 4.16Å; V299-E507 HydrophobicContact CG1-CB 3.99Å; V299-E507 VanDerWaalsContact CG1-O 3.28Å; V299-E507 WeakPolarHBondContact CG1-O 3.49Å; V299-T511 HydrophobicContact CB-CG2 3.87Å; V299-T511 HydrophobicContact CG1-CG2 3.71Å
300F98.4Very high97.1Very high3 Ų349.2 Ų49.21%0.01325%0.247CC..Hα-helixtrans-59.9-38.8175.5171.9-96.9000111.7R272 K296 D297 V508 T511 L513 P514 F518 E565R272-F300 VanDerWaalsContact CZ-O 3.25Å; R272-F300 PolarHBondContact NH1-O 3.38Å; R272-F300 PolarHBondContact NH2-O 3.28Å; K296-F300 VanDerWaalsContact O-CB 3.22Å; K296-F300 WeakPolarHBondContact O-CB 3.24Å; K296-F300 PolarHBondContact O-N 3Å; D297-F300 PolarHBondContact O-N 3.46Å; F300-V508 HydrophobicContact CD2-CG1 3.62Å; F300-V508 HydrophobicContact CE2-CG1 3.98Å; F300-V508 HydrophobicContact CG-CG1 4.48Å; F300-T511 HydrophobicContact CB-CG2 4.11Å; F300-L513 HydrophobicContact CB-CB 4.09Å; F300-L513 HydrophobicContact CB-CD1 4.02Å; F300-L513 HydrophobicContact CD1-CB 4.46Å; F300-L513 HydrophobicContact CD2-CB 3.64Å; F300-L513 VanDerWaalsContact CD2-O 3.32Å; F300-L513 WeakPolarHBondContact CD2-O 3.47Å; F300-L513 HydrophobicContact CE2-CB 4.26Å; F300-L513 WeakPolarHBondContact CE2-O 3.39Å; F300-L513 HydrophobicContact CG-CB 3.78Å; F300-L513 HydrophobicContact CG-CD1 4.39Å; F300-P514 HydrophobicContact CZ-CG 4.34Å; F300-F518 HydrophobicContact CE2-CD1 4.1Å; F300-F518 AromaticContact CE2-CE1 3.68Å; F300-F518 HydrophobicContact CE2-CE1 3.68Å; F300-F518 AromaticContact CE2-CZ 3.95Å; F300-F518 HydrophobicContact CE2-CZ 3.95Å; F300-F518 HydrophobicContact CZ-CE1 4.42Å; F300-F518 HydrophobicContact CZ-CZ 4.25Å; F300-E565 HydrophobicContact CE1-CG 4.33Å; F300-E565 HydrophobicContact CZ-CB 4.33Å; F300-E565 HydrophobicContact CZ-CG 4.11Å
301R96.3Very high97.1Very high51 Ų5146.3 Ų46.319%0.19224%0.236CC..Hα-helixtrans-72.6-38.7-178.7-69.2-86.8158.6-129.6-19.4113.1R272 G273 D297 L298 V299 E565R272-R301 PolarHBondContact NE-O 3.15Å; R272-R301 PolarHBondContact NH2-O 2.89Å; R272-R301 VanDerWaalsContact NH2-O 3.12Å; G273-R301 PolarHBondContact N-O 3.05Å; D297-R301 VanDerWaalsContact O-CB 3.23Å; D297-R301 WeakPolarHBondContact O-CB 3.4Å; D297-R301 WeakPolarHBondContact O-CG 3.32Å; D297-R301 PolarHBondContact O-N 2.84Å; D297-R301 WeakPolarHBondContact OD1-CG 3.48Å; D297-R301 IonicContact OD1-CZ 3.04Å; D297-R301 IonicContact OD1-NE 3.65Å; D297-R301 PolarHBondContact OD1-NE 2.89Å; D297-R301 IonicContact OD1-NH2 2.69Å; L298-R301 PolarHBondContact O-N 3.02Å; V299-R301 VanDerWaalsContact C-N 3.27Å; V299-R301 PolarHBondContact O-N 2.99Å; R301-E565 IonicContact CZ-OE1 2.88Å; R301-E565 VanDerWaalsContact CZ-OE1 3.27Å; R301-E565 IonicContact CZ-OE2 3.9Å; R301-E565 IonicContact NH1-OE1 2.95Å; R301-E565 PolarHBondContact NH1-OE1 3.44Å; R301-E565 IonicContact NH1-OE2 2.72Å; R301-E565 PolarHBondContact NH1-OE2 3.01Å; R301-E565 IonicContact NH2-OE1 2.73Å; R301-E565 PolarHBondContact NH2-OE1 2.84Å; R301-E565 IonicContact NH2-OE2 3.8Å
302G94.9Very high97.3Very high13 Ų1343 Ų4313%0.13422%0.218CC..Hα-helixtrans-146.6-0.3-16800000117.5A275 L298 V299A275-G302 VanDerWaalsContact CA-O 3.25Å; A275-G302 WeakPolarHBondContact CA-O 3.47Å; A275-G302 VanDerWaalsContact CB-O 3.29Å; A275-G302 WeakPolarHBondContact CB-O 3.4Å; L298-G302 PolarHBondContact O-N 3.44Å; V299-G302 PolarHBondContact O-N 3.35Å
303G97.4Very high97.3Very high1 Ų142.3 Ų42.31%0.0121%0.214CC..  trans76.9-165.1-176.300000114A275 L276 V299A275-G303 WeakPolarHBondContact CA-O 3.13Å; L276-G303 PolarHBondContact N-O 3.03Å; V299-G303 WeakPolarHBondContact O-CA 3.44Å; V299-G303 PolarHBondContact O-N 3.49Å
304V98.1Very high97.4Very high5 Ų537.7 Ų37.73%0.0319%0.192CC..BIsolated β-bridgetrans-117.8133.9-177.7-174.50000110.3V299 L308 R309 V312 E507V299-V304 HydrophobicContact CG1-CG2 4Å; V299-V304 HydrophobicContact CG2-CG2 3.8Å; V304-L308 HydrophobicContact CG1-CB 3.67Å; V304-R309 HydrophobicContact CB-CG 4.19Å; V304-R309 HydrophobicContact CG1-CG 4.1Å; V304-V312 HydrophobicContact CG1-CB 4.12Å; V304-V312 HydrophobicContact CG1-CG1 4.44Å; V304-V312 HydrophobicContact CG1-CG2 4.19Å; V304-V312 HydrophobicContact CG2-CB 4.42Å; V304-V312 HydrophobicContact CG2-CG1 3.91Å; V304-E507 HydrophobicContact CB-CG 4.3Å; V304-E507 HydrophobicContact CG2-CB 4.44Å; V304-E507 HydrophobicContact CG2-CG 3.92Å; V304-E507 PolarHBondContact N-OE2 3.47Å
305T97.2Very high97.5Very high37 Ų3732.3 Ų32.323%0.22717%0.168CC..  trans-60.9136.2173.9-61.20000110.3L276 N307 L308 R309L276-T305 VanDerWaalsContact O-CB 3.27Å; L276-T305 WeakPolarHBondContact O-CB 3.43Å; L276-T305 PolarHBondContact O-N 3.45Å; L276-T305 VanDerWaalsContact O-N 3.17Å; L276-T305 PolarHBondContact O-OG1 3.26Å; T305-N307 VanDerWaalsContact C-N 3.26Å; T305-N307 PolarHBondContact O-N 3.1Å; T305-L308 PolarHBondContact O-N 3.3Å; T305-R309 PolarHBondContact O-N 2.9Å
306P96.6Very high97.5Very high78 Ų7833.2 Ų33.251%0.50617%0.173SC..Hα-helixtrans-46.3-42-172.4-33.535.5000115.8L308 R309P306-L308 PolarHBondContact O-N 3.08Å; P306-R309 WeakPolarHBondContact O-CB 3.44Å; P306-R309 PolarHBondContact O-N 3.14Å
307N96.2Very high97.6Very high152 Ų15231.3 Ų31.381%0.81317%0.165SC*.Hα-helixtrans-63.1-25.4179.8-61.2-7.8000114.1T305T305-N307 VanDerWaalsContact C-N 3.26Å; T305-N307 PolarHBondContact O-N 3.1Å
308L97.6Very high97.6Very high22 Ų2230.8 Ų30.812%0.11518%0.175CC..Hα-helixtrans-95-17.8-178.4-67.3177.1000113.1V277 W279 V304 T305 P306 K310 E311 V312V277-L308 WeakPolarHBondContact O-CD1 3.44Å; W279-L308 HydrophobicContact CB-CD1 3.89Å; W279-L308 HydrophobicContact CB-CD2 3.67Å; W279-L308 HydrophobicContact CB-CG 4.4Å; W279-L308 HydrophobicContact CG-CD2 4.24Å; V304-L308 HydrophobicContact CG1-CB 3.67Å; T305-L308 PolarHBondContact O-N 3.3Å; P306-L308 PolarHBondContact O-N 3.08Å; L308-K310 VanDerWaalsContact C-N 3.29Å; L308-K310 PolarHBondContact O-N 3.34Å; L308-E311 PolarHBondContact O-N 2.65Å; L308-V312 HydrophobicContact CB-CG2 4.14Å; L308-V312 WeakPolarHBondContact O-CG2 3.48Å; L308-V312 PolarHBondContact O-N 2.92Å
309R98.1Very high97.6Very high15 Ų1529 Ų296%0.05717%0.165CC..Hα-helixtrans-48.9-50.9-176.2-69.6-173.7169.8143.3-6.3111.6V304 T305 P306 E311 V312 W313 V423 E500 L503 T504 E507V304-R309 HydrophobicContact CB-CG 4.19Å; V304-R309 HydrophobicContact CG1-CG 4.1Å; T305-R309 PolarHBondContact O-N 2.9Å; P306-R309 WeakPolarHBondContact O-CB 3.44Å; P306-R309 PolarHBondContact O-N 3.14Å; R309-E311 VanDerWaalsContact C-N 3.26Å; R309-E311 PolarHBondContact O-N 2.93Å; R309-E311 VanDerWaalsContact O-N 3.14Å; R309-V312 PolarHBondContact O-N 3.32Å; R309-W313 WeakPolarHBondContact O-CB 3.31Å; R309-W313 PolarHBondContact O-N 3.02Å; R309-V423 HydrophobicContact CB-CG1 3.71Å; R309-V423 HydrophobicContact CB-CG2 4.41Å; R309-E500 IonicContact CZ-OE2 2.87Å; R309-E500 IonicContact NH1-OE1 3.06Å; R309-E500 IonicContact NH1-OE2 3.66Å; R309-E500 PolarHBondContact NH1-OE2 3.06Å; R309-E500 IonicContact NH2-OE2 3.81Å; R309-E500 PolarHBondContact NH2-OE2 3.43Å; R309-L503 VanDerWaalsContact NH1-CD1 3.25Å; R309-T504 PolarHBondContact NH2-OG1 3.26Å; R309-E507 VanDerWaalsContact CD-OE1 3.22Å; R309-E507 WeakPolarHBondContact CD-OE1 3.43Å; R309-E507 VanDerWaalsContact CG-OE1 3.24Å; R309-E507 WeakPolarHBondContact CG-OE1 3.39Å; R309-E507 IonicContact CZ-OE1 2.72Å; R309-E507 IonicContact NE-OE1 2.74Å; R309-E507 PolarHBondContact NE-OE1 3.34Å
310K97.1Very high97.6Very high79 Ų7929.6 Ų29.634%0.34317%0.167SC..Hα-helixtrans-53.2-37.6-178.6175.2164.7174.6149.30113.9L308 K314 V423 T424 E429L308-K310 VanDerWaalsContact C-N 3.29Å; L308-K310 PolarHBondContact O-N 3.34Å; K310-K314 WeakPolarHBondContact O-CE 3.44Å; K310-V423 HydrophobicContact CB-CG1 4.34Å; K310-T424 WeakPolarHBondContact CE-O 3.38Å; K310-T424 PolarHBondContact NZ-O 2.88Å; K310-E429 WeakPolarHBondContact CE-OE2 3.28Å; K310-E429 IonicContact NZ-OE2 2.65Å; K310-E429 PolarHBondContact NZ-OE2 3.02Å
311E96.7Very high97.6Very high56 Ų5632.7 Ų32.726%0.26219%0.188SC..Hα-helixtrans-88.8-46.5-179.9-169.962.1-165.300111.9L308 R309 W313 K314 F315L308-E311 PolarHBondContact O-N 2.65Å; R309-E311 VanDerWaalsContact C-N 3.26Å; R309-E311 PolarHBondContact O-N 2.93Å; R309-E311 VanDerWaalsContact O-N 3.14Å; E311-W313 PolarHBondContact O-N 2.89Å; E311-K314 PolarHBondContact O-N 2.89Å; E311-K314 WeakPolarHBondContact OE2-CE 3.32Å; E311-K314 IonicContact OE2-NZ 3.27Å; E311-K314 PolarHBondContact OE2-NZ 3.18Å; E311-F315 HydrophobicContact CG-CE2 4.31Å; E311-F315 WeakPolarHBondContact O-CD2 3.47Å
312V98.3Very high97.7Very high0 Ų032.7 Ų32.70%019%0.188CC..Hα-helixtrans-66.1-36.9-176.4178.40000112L276 W279 V299 V304 L308 R309 K314 F315 L316L276-V312 HydrophobicContact CD2-CG1 4.35Å; L276-V312 HydrophobicContact CD2-CG2 4.15Å; W279-V312 HydrophobicContact CD2-CG2 4.01Å; W279-V312 HydrophobicContact CE3-CG2 4.01Å; W279-V312 HydrophobicContact CH2-CG2 4.47Å; W279-V312 HydrophobicContact CZ2-CG2 4.48Å; W279-V312 HydrophobicContact CZ3-CG2 4.25Å; V299-V312 HydrophobicContact CG2-CG1 4.5Å; V304-V312 HydrophobicContact CG1-CB 4.12Å; V304-V312 HydrophobicContact CG1-CG1 4.44Å; V304-V312 HydrophobicContact CG1-CG2 4.19Å; V304-V312 HydrophobicContact CG2-CB 4.42Å; V304-V312 HydrophobicContact CG2-CG1 3.91Å; L308-V312 HydrophobicContact CB-CG2 4.14Å; L308-V312 WeakPolarHBondContact O-CG2 3.48Å; L308-V312 PolarHBondContact O-N 2.92Å; R309-V312 PolarHBondContact O-N 3.32Å; V312-K314 PolarHBondContact O-N 2.98Å; V312-F315 PolarHBondContact O-N 3.47Å; V312-L316 HydrophobicContact CG1-CD1 4.05Å; V312-L316 HydrophobicContact CG1-CG 4.28Å; V312-L316 PolarHBondContact O-N 3Å; V312-L316 VanDerWaalsContact O-N 3.11Å
313W98.6Very high97.8Very high0 Ų037.7 Ų37.70%021%0.206CC..Hα-helixtrans-58.4-33.4177.5-76.730.1000112.3R309 E311 F315 L316 L317 I420 V423 L503 E507 W510R309-W313 WeakPolarHBondContact O-CB 3.31Å; R309-W313 PolarHBondContact O-N 3.02Å; E311-W313 PolarHBondContact O-N 2.89Å; W313-F315 PolarHBondContact O-N 3.31Å; W313-L316 PolarHBondContact O-N 3.38Å; W313-L317 WeakPolarHBondContact O-CB 3.26Å; W313-L317 PolarHBondContact O-N 2.68Å; W313-I420 HydrophobicContact CE3-CG1 4.35Å; W313-I420 HydrophobicContact CZ3-CG1 3.92Å; W313-V423 HydrophobicContact CD2-CB 4.37Å; W313-V423 HydrophobicContact CD2-CG1 3.83Å; W313-V423 HydrophobicContact CD2-CG2 4.38Å; W313-V423 HydrophobicContact CE3-CB 3.98Å; W313-V423 HydrophobicContact CE3-CG1 3.86Å; W313-V423 HydrophobicContact CE3-CG2 4.15Å; W313-V423 HydrophobicContact CG-CG1 4.23Å; W313-V423 HydrophobicContact CH2-CG2 3.93Å; W313-V423 HydrophobicContact CZ2-CG2 4.08Å; W313-V423 HydrophobicContact CZ3-CB 4.1Å; W313-V423 HydrophobicContact CZ3-CG1 4.44Å; W313-V423 HydrophobicContact CZ3-CG2 3.91Å; W313-L503 HydrophobicContact CH2-CB 4.33Å; W313-L503 HydrophobicContact CH2-CD2 3.33Å; W313-L503 HydrophobicContact CH2-CG 4.43Å; W313-L503 HydrophobicContact CZ2-CB 3.92Å; W313-L503 HydrophobicContact CZ2-CD2 3.7Å; W313-L503 HydrophobicContact CZ2-CG 4.41Å; W313-L503 HydrophobicContact CZ3-CD2 4.31Å; W313-E507 HydrophobicContact CZ2-CG 4.09Å; W313-E507 PolarHBondContact NE1-OE1 2.76Å; W313-W510 HydrophobicContact CD2-CH2 4.27Å; W313-W510 AromaticContact CD2-CZ3 3.62Å; W313-W510 HydrophobicContact CD2-CZ3 3.62Å; W313-W510 AromaticContact CE2-CZ3 3.76Å; W313-W510 AromaticContact CE3-CH2 3.79Å; W313-W510 HydrophobicContact CE3-CH2 3.79Å; W313-W510 AromaticContact CE3-CZ3 3.62Å; W313-W510 HydrophobicContact CE3-CZ3 3.62Å; W313-W510 HydrophobicContact CG-CZ3 4.2Å; W313-W510 AromaticContact CH2-CH2 3.68Å; W313-W510 HydrophobicContact CH2-CH2 3.68Å; W313-W510 AromaticContact CH2-CZ3 3.76Å; W313-W510 HydrophobicContact CH2-CZ3 3.76Å; W313-W510 HydrophobicContact CZ2-CH2 4.23Å; W313-W510 AromaticContact CZ2-CZ3 3.83Å; W313-W510 HydrophobicContact CZ2-CZ3 3.83Å; W313-W510 AromaticContact CZ3-CH2 3.48Å; W313-W510 HydrophobicContact CZ3-CH2 3.48Å; W313-W510 VanDerWaalsContact CZ3-CH2 3.48Å; W313-W510 AromaticContact CZ3-CZ3 3.7Å; W313-W510 HydrophobicContact CZ3-CZ3 3.7Å
314K98.6Very high97.9Very high6 Ų638 Ų383%0.02621%0.208CC..Hα-helixtrans-68-22.1178.8-62.5-175.2-72.1-176.50113.1K310 E311 V312 F319 Y320 E429K310-K314 WeakPolarHBondContact O-CE 3.44Å; E311-K314 PolarHBondContact O-N 2.89Å; E311-K314 WeakPolarHBondContact OE2-CE 3.32Å; E311-K314 IonicContact OE2-NZ 3.27Å; E311-K314 PolarHBondContact OE2-NZ 3.18Å; V312-K314 PolarHBondContact O-N 2.98Å; K314-F319 HydrophobicContact CB-CB 4.49Å; K314-F319 HydrophobicContact CB-CD1 3.96Å; K314-F319 HydrophobicContact CD-CD1 3.73Å; K314-F319 HydrophobicContact CD-CE1 3.77Å; K314-F319 HydrophobicContact CG-CD1 3.78Å; K314-F319 HydrophobicContact CG-CE1 4.33Å; K314-F319 PolarHBondContact O-N 3.36Å; K314-F319 VanDerWaalsContact O-N 3.1Å; K314-Y320 HydrophobicContact CB-CD2 3.63Å; K314-Y320 HydrophobicContact CB-CE2 4.08Å; K314-Y320 HydrophobicContact CB-CG 4.14Å; K314-Y320 HydrophobicContact CD-CD2 4.24Å; K314-Y320 HydrophobicContact CD-CE2 3.79Å; K314-Y320 VanDerWaalsContact CE-CE2 3.43Å; K314-Y320 PolarHBondContact O-N 3.37Å; K314-E429 HydrophobicContact CD-CG 4.48Å; K314-E429 WeakPolarHBondContact CD-OE1 3.35Å; K314-E429 WeakPolarHBondContact CE-OE1 3.39Å; K314-E429 IonicContact NZ-OE1 2.79Å; K314-E429 PolarHBondContact NZ-OE1 2.87Å
315F98.6Very high97.9Very high0 Ų038.5 Ų38.50%021%0.211CC..Hα-helixtrans-87.5-40171.7-65.4-87.6000112.2W279 V289 E311 V312 W313 L317 G318 Y320 W322W279-F315 HydrophobicContact CH2-CD2 4.12Å; W279-F315 HydrophobicContact CH2-CE2 4.28Å; W279-F315 AromaticContact CZ2-CD2 3.9Å; W279-F315 HydrophobicContact CZ2-CD2 3.9Å; W279-F315 AromaticContact CZ2-CE2 3.68Å; W279-F315 HydrophobicContact CZ2-CE2 3.68Å; W279-F315 HydrophobicContact CZ2-CZ 4.31Å; V289-F315 HydrophobicContact CG2-CD1 4.42Å; V289-F315 HydrophobicContact CG2-CE1 4.19Å; E311-F315 HydrophobicContact CG-CE2 4.31Å; E311-F315 WeakPolarHBondContact O-CD2 3.47Å; V312-F315 PolarHBondContact O-N 3.47Å; W313-F315 PolarHBondContact O-N 3.31Å; F315-L317 VanDerWaalsContact C-N 3.34Å; F315-L317 PolarHBondContact O-N 3.47Å; F315-G318 PolarHBondContact O-N 3.09Å; F315-Y320 WeakPolarHBondContact CD1-O 3.37Å; F315-Y320 HydrophobicContact CD2-CD2 4.49Å; F315-Y320 AromaticContact CE2-CD2 4Å; F315-Y320 HydrophobicContact CE2-CD2 4Å; F315-Y320 HydrophobicContact CZ-CD2 4.08Å; F315-W322 HydrophobicContact CB-CD2 4Å; F315-W322 HydrophobicContact CB-CE3 3.86Å; F315-W322 HydrophobicContact CB-CH2 3.64Å; F315-W322 HydrophobicContact CB-CZ2 3.77Å; F315-W322 HydrophobicContact CB-CZ3 3.68Å; F315-W322 HydrophobicContact CD1-CD2 4.38Å; F315-W322 HydrophobicContact CD1-CE3 4.22Å; F315-W322 HydrophobicContact CG-CE3 4.3Å; F315-W322 HydrophobicContact CG-CZ3 4.36Å; F315-W322 WeakPolarHBondContact O-CZ2 3.43Å; F315-W322 PolarHBondContact O-NE1 3.34Å
316L98.6Very high97.9Very high19 Ų1939.3 Ų39.310%0.09922%0.219CC..Hα-helixtrans-61.3-41.5175.4-67.7171.7000111.9V299 V312 W313 G318 W322 W510 T511V299-L316 HydrophobicContact CG1-CD1 4.16Å; V312-L316 HydrophobicContact CG1-CD1 4.05Å; V312-L316 HydrophobicContact CG1-CG 4.28Å; V312-L316 PolarHBondContact O-N 3Å; V312-L316 VanDerWaalsContact O-N 3.11Å; W313-L316 PolarHBondContact O-N 3.38Å; L316-G318 VanDerWaalsContact C-N 3.31Å; L316-G318 PolarHBondContact O-N 2.88Å; L316-W322 HydrophobicContact CD2-CH2 4.06Å; L316-W322 HydrophobicContact CD2-CZ2 4.11Å; L316-W322 HydrophobicContact CG-CH2 4.45Å; L316-W510 HydrophobicContact CB-CB 4.02Å; L316-W510 HydrophobicContact CB-CE3 4.45Å; L316-T511 HydrophobicContact CD2-CG2 4.31Å
317L98.6Very high98Very high3 Ų342 Ų422%0.01622%0.222CC..THydrogen-bonded Turntrans-9017.8177.6-66.5172.1000113.5W313 F315 F319 I420 C433 G436 F437 W510W313-L317 WeakPolarHBondContact O-CB 3.26Å; W313-L317 PolarHBondContact O-N 2.68Å; F315-L317 VanDerWaalsContact C-N 3.34Å; F315-L317 PolarHBondContact O-N 3.47Å; L317-F319 PolarHBondContact O-N 2.85Å; L317-I420 HydrophobicContact CD1-CD1 3.93Å; L317-I420 HydrophobicContact CD1-CG1 4.26Å; L317-C433 HydrophobicContact CB-CB 4.46Å; L317-C433 HydrophobicContact CD1-CB 3.68Å; L317-G436 WeakPolarHBondContact O-CA 3.3Å; L317-F437 HydrophobicContact CD2-CB 3.81Å; L317-F437 HydrophobicContact CD2-CG 4.35Å; L317-W510 HydrophobicContact CD1-CE3 4.34Å; L317-W510 HydrophobicContact CD1-CH2 3.84Å; L317-W510 HydrophobicContact CD1-CZ2 4.1Å; L317-W510 HydrophobicContact CD1-CZ3 3.98Å; L317-W510 HydrophobicContact CD2-CD2 3.65Å; L317-W510 VanDerWaalsContact CD2-CE2 3.48Å; L317-W510 HydrophobicContact CD2-CE3 4.16Å; L317-W510 HydrophobicContact CD2-CG 3.97Å; L317-W510 HydrophobicContact CD2-CH2 4.33Å; L317-W510 HydrophobicContact CD2-CZ2 3.85Å; L317-W510 HydrophobicContact CD2-CZ3 4.49Å; L317-W510 HydrophobicContact CG-CD2 4.08Å; L317-W510 HydrophobicContact CG-CE3 4.08Å; L317-W510 HydrophobicContact CG-CH2 4.36Å; L317-W510 HydrophobicContact CG-CZ2 4.37Å; L317-W510 HydrophobicContact CG-CZ3 4.23Å
318G97.8Very high98.1Very high54 Ų5439.2 Ų39.256%0.55720%0.204SC*.SBendtrans68.6-8.2169.500000117.8F315 L316 Y320F315-G318 PolarHBondContact O-N 3.09Å; L316-G318 VanDerWaalsContact C-N 3.31Å; L316-G318 PolarHBondContact O-N 2.88Å; G318-Y320 PolarHBondContact O-N 3.07Å
319F98.3Very high98.1Very high16 Ų1639 Ų397%0.0720%0.202CC..SBendtrans-55.3-35.4177.2173.2-146.6000112.3K314 L317 I332 L333 K336 E429 W432K314-F319 HydrophobicContact CB-CB 4.49Å; K314-F319 HydrophobicContact CB-CD1 3.96Å; K314-F319 HydrophobicContact CD-CD1 3.73Å; K314-F319 HydrophobicContact CD-CE1 3.77Å; K314-F319 HydrophobicContact CG-CD1 3.78Å; K314-F319 HydrophobicContact CG-CE1 4.33Å; K314-F319 PolarHBondContact O-N 3.36Å; K314-F319 VanDerWaalsContact O-N 3.1Å; L317-F319 PolarHBondContact O-N 2.85Å; F319-I332 HydrophobicContact CE2-CG2 4.25Å; F319-L333 HydrophobicContact CZ-CD1 4.01Å; F319-K336 HydrophobicContact CE2-CB 3.97Å; F319-K336 HydrophobicContact CE2-CG 4.01Å; F319-E429 HydrophobicContact CE1-CB 4.23Å; F319-E429 HydrophobicContact CE1-CG 4.07Å; F319-W432 HydrophobicContact CB-CB 4.36Å; F319-W432 HydrophobicContact CD1-CB 4.35Å; F319-W432 HydrophobicContact CD2-CB 3.54Å; F319-W432 HydrophobicContact CD2-CG 4.18Å; F319-W432 HydrophobicContact CE2-CB 3.86Å; F319-W432 HydrophobicContact CE2-CG 4.14Å; F319-W432 HydrophobicContact CG-CB 3.84Å; F319-W432 HydrophobicContact CZ-CB 4.41Å
320Y98.4Very high98.1Very high11 Ų1144.5 Ų44.54%0.04323%0.228CC..SBendtrans-113.7122.2170.1-67.6-23.9000111.5K314 F315 G318 W322 R329 I332K314-Y320 HydrophobicContact CB-CD2 3.63Å; K314-Y320 HydrophobicContact CB-CE2 4.08Å; K314-Y320 HydrophobicContact CB-CG 4.14Å; K314-Y320 HydrophobicContact CD-CD2 4.24Å; K314-Y320 HydrophobicContact CD-CE2 3.79Å; K314-Y320 VanDerWaalsContact CE-CE2 3.43Å; K314-Y320 PolarHBondContact O-N 3.37Å; F315-Y320 WeakPolarHBondContact CD1-O 3.37Å; F315-Y320 HydrophobicContact CD2-CD2 4.49Å; F315-Y320 AromaticContact CE2-CD2 4Å; F315-Y320 HydrophobicContact CE2-CD2 4Å; F315-Y320 HydrophobicContact CZ-CD2 4.08Å; G318-Y320 PolarHBondContact O-N 3.07Å; Y320-W322 PolarHBondContact O-N 2.93Å; Y320-R329 HydrophobicContact CD1-CB 4.33Å; Y320-R329 HydrophobicContact CD1-CG 3.91Å; Y320-R329 HydrophobicContact CD2-CG 4.13Å; Y320-R329 HydrophobicContact CE1-CB 4.03Å; Y320-R329 HydrophobicContact CE1-CG 4.12Å; Y320-R329 HydrophobicContact CE2-CB 4.4Å; Y320-R329 HydrophobicContact CE2-CG 4.28Å; Y320-R329 HydrophobicContact CG-CG 3.91Å; Y320-I332 HydrophobicContact CD1-CG2 4.31Å; Y320-I332 HydrophobicContact CE1-CG2 4.39Å
321P98.2Very high98.2Very high69 Ų6944.4 Ų44.445%0.44823%0.229SC..  trans-61.2132.8171.4-23.233.7000111.3K323 S324 I332P321-K323 PolarHBondContact O-N 2.82Å; P321-S324 VanDerWaalsContact O-CB 3.27Å; P321-S324 WeakPolarHBondContact O-CB 3.37Å; P321-S324 PolarHBondContact O-N 3.02Å; P321-S324 PolarHBondContact O-OG 3.17Å; P321-I332 HydrophobicContact CG-CD1 4.41Å
322W97.9Very high98.3Very high50 Ų5043.8 Ų43.819%0.18923%0.227CC..THydrogen-bonded Turntrans-52.7-27.2-179.3-67.195.6000115.3V289 P292 V295 F315 L316 Y320V289-W322 HydrophobicContact CB-CE3 4.26Å; V289-W322 VanDerWaalsContact CB-O 3.29Å; V289-W322 WeakPolarHBondContact CB-O 3.49Å; V289-W322 HydrophobicContact CG1-CE3 4.17Å; V289-W322 HydrophobicContact CG2-CE3 4.06Å; V289-W322 PolarHBondContact N-O 3.15Å; V289-W322 VanDerWaalsContact N-O 3.15Å; P292-W322 HydrophobicContact CB-CB 4.02Å; P292-W322 HydrophobicContact CB-CD2 3.85Å; P292-W322 HydrophobicContact CB-CE3 3.78Å; P292-W322 HydrophobicContact CB-CG 3.97Å; P292-W322 HydrophobicContact CG-CB 3.76Å; P292-W322 HydrophobicContact CG-CD2 4.49Å; P292-W322 HydrophobicContact CG-CE3 4.4Å; P292-W322 HydrophobicContact CG-CG 4.27Å; V295-W322 HydrophobicContact CB-CZ3 4.32Å; V295-W322 HydrophobicContact CG1-CH2 4.17Å; V295-W322 HydrophobicContact CG1-CZ3 3.89Å; F315-W322 HydrophobicContact CB-CD2 4Å; F315-W322 HydrophobicContact CB-CE3 3.86Å; F315-W322 HydrophobicContact CB-CH2 3.64Å; F315-W322 HydrophobicContact CB-CZ2 3.77Å; F315-W322 HydrophobicContact CB-CZ3 3.68Å; F315-W322 HydrophobicContact CD1-CD2 4.38Å; F315-W322 HydrophobicContact CD1-CE3 4.22Å; F315-W322 HydrophobicContact CG-CE3 4.3Å; F315-W322 HydrophobicContact CG-CZ3 4.36Å; F315-W322 WeakPolarHBondContact O-CZ2 3.43Å; F315-W322 PolarHBondContact O-NE1 3.34Å; L316-W322 HydrophobicContact CD2-CH2 4.06Å; L316-W322 HydrophobicContact CD2-CZ2 4.11Å; L316-W322 HydrophobicContact CG-CH2 4.45Å; Y320-W322 PolarHBondContact O-N 2.93Å
323K97.3Very high98.3Very high118 Ų11846.4 Ų46.451%0.51324%0.241SC..THydrogen-bonded Turntrans-101.17.4179.4-59.8-58.3-175.2179.60114.4R288 V289 K290 P321R288-K323 WeakPolarHBondContact CD-O 3.31Å; R288-K323 VanDerWaalsContact CG-O 3.31Å; R288-K323 WeakPolarHBondContact CG-O 3.24Å; V289-K323 PolarHBondContact O-NZ 3.05Å; K290-K323 PolarHBondContact O-NZ 3.17Å; P321-K323 PolarHBondContact O-N 2.82Å
324S98.1Very high98.2Very high7 Ų753 Ų535%0.04927%0.266CS..  trans-66.3142.4171.561.10000111.9R288 P321 R329R288-S324 WeakPolarHBondContact CA-O 3.33Å; R288-S324 WeakPolarHBondContact CG-O 3.19Å; P321-S324 VanDerWaalsContact O-CB 3.27Å; P321-S324 WeakPolarHBondContact O-CB 3.37Å; P321-S324 PolarHBondContact O-N 3.02Å; P321-S324 PolarHBondContact O-OG 3.17Å; S324-R329 PolarHBondContact O-NH1 3.23Å; S324-R329 VanDerWaalsContact OG-CG 3.32Å; S324-R329 WeakPolarHBondContact OG-CG 3.39Å; S324-R329 PolarHBondContact OG-NH1 2.87Å; S324-R329 VanDerWaalsContact OG-NH1 3.11Å
325T98.5Very high98.2Very high17 Ų1758.4 Ų58.410%0.10429%0.29CS..  trans-76.7164.8165.1600000110.8E286 R288 K327 E328 R329E286-T325 HydrophobicContact CB-CG2 3.78Å; E286-T325 CarbonylContact O-C 3.52Å; E286-T325 WeakPolarHBondContact O-CA 3.4Å; E286-T325 VanDerWaalsContact O-CB 3.23Å; E286-T325 WeakPolarHBondContact O-CB 3.45Å; R288-T325 HydrophobicContact CG-CG2 3.74Å; T325-K327 VanDerWaalsContact C-N 3.26Å; T325-K327 PolarHBondContact O-N 2.88Å; T325-E328 VanDerWaalsContact CB-OE2 3.32Å; T325-E328 WeakPolarHBondContact CB-OE2 3.47Å; T325-E328 WeakPolarHBondContact CG2-OE2 3.2Å; T325-E328 PolarHBondContact N-OE2 2.99Å; T325-E328 PolarHBondContact O-N 3.34Å; T325-E328 WeakPolarHBondContact OG1-CB 3.46Å; T325-E328 VanDerWaalsContact OG1-CD 3.3Å; T325-E328 VanDerWaalsContact OG1-CG 3.29Å; T325-E328 WeakPolarHBondContact OG1-CG 3.42Å; T325-E328 PolarHBondContact OG1-N 3.47Å; T325-E328 VanDerWaalsContact OG1-N 3.16Å; T325-E328 PolarHBondContact OG1-OE2 2.92Å; T325-R329 PolarHBondContact O-N 2.82Å; T325-R329 PolarHBondContact O-NH1 3.4Å
326S97.6Very high98.2Very high54 Ų5460.7 Ų60.738%0.37830%0.299SS..Hα-helixtrans-57.6-39.4173-62.80000112.3E286 R329 E330E286-S326 PolarHBondContact O-N 3.35Å; S326-R329 WeakPolarHBondContact O-CB 3.27Å; S326-R329 PolarHBondContact O-N 3.29Å; S326-R329 PolarHBondContact OG-NH2 3.47Å; S326-E330 PolarHBondContact O-N 2.93Å; S326-E330 VanDerWaalsContact O-N 3.08Å
327K98Very high98.2Very high134 Ų13461.7 Ų61.758%0.58331%0.306SS*.Hα-helixtrans-65.2-44.1177.8-175.3177.5-179.2-80.60112.1T325 R329 E330 E331T325-K327 VanDerWaalsContact C-N 3.26Å; T325-K327 PolarHBondContact O-N 2.88Å; K327-R329 VanDerWaalsContact C-N 3.25Å; K327-R329 PolarHBondContact O-N 3.22Å; K327-E330 WeakPolarHBondContact O-CB 3.37Å; K327-E330 PolarHBondContact O-N 3.24Å; K327-E331 IonicContact NZ-OE1 3.84Å; K327-E331 PolarHBondContact NZ-OE1 2.75Å; K327-E331 WeakPolarHBondContact O-CG 3.18Å; K327-E331 PolarHBondContact O-N 3.34Å; K327-E331 VanDerWaalsContact O-N 3.11Å
328E98.5Very high98.2Very high94 Ų9466.6 Ų66.644%0.43933%0.332SS..Hα-helixtrans-62.4-34.9175.3-72.3160.6135.800111.4T325 E331 I332T325-E328 VanDerWaalsContact CB-OE2 3.32Å; T325-E328 WeakPolarHBondContact CB-OE2 3.47Å; T325-E328 WeakPolarHBondContact CG2-OE2 3.2Å; T325-E328 PolarHBondContact N-OE2 2.99Å; T325-E328 PolarHBondContact O-N 3.34Å; T325-E328 WeakPolarHBondContact OG1-CB 3.46Å; T325-E328 VanDerWaalsContact OG1-CD 3.3Å; T325-E328 VanDerWaalsContact OG1-CG 3.29Å; T325-E328 WeakPolarHBondContact OG1-CG 3.42Å; T325-E328 PolarHBondContact OG1-N 3.47Å; T325-E328 VanDerWaalsContact OG1-N 3.16Å; T325-E328 PolarHBondContact OG1-OE2 2.92Å; E328-E331 PolarHBondContact O-N 2.89Å; E328-I332 WeakPolarHBondContact O-CB 3.33Å; E328-I332 WeakPolarHBondContact O-CD1 3.25Å; E328-I332 WeakPolarHBondContact O-CG1 3.44Å; E328-I332 PolarHBondContact O-N 3Å
329R98.4Very high98.3Very high16 Ų1665.7 Ų65.76%0.0631%0.314CS..Hα-helixtrans-65.9-37.3173.7-70.5-169-68.7-82.66.2113.5G287 Y320 S324 T325 S326 K327 E331 I332 L333G287-R329 PolarHBondContact O-NH1 2.84Å; G287-R329 PolarHBondContact O-NH2 3.46Å; Y320-R329 HydrophobicContact CD1-CB 4.33Å; Y320-R329 HydrophobicContact CD1-CG 3.91Å; Y320-R329 HydrophobicContact CD2-CG 4.13Å; Y320-R329 HydrophobicContact CE1-CB 4.03Å; Y320-R329 HydrophobicContact CE1-CG 4.12Å; Y320-R329 HydrophobicContact CE2-CB 4.4Å; Y320-R329 HydrophobicContact CE2-CG 4.28Å; Y320-R329 HydrophobicContact CG-CG 3.91Å; S324-R329 PolarHBondContact O-NH1 3.23Å; S324-R329 VanDerWaalsContact OG-CG 3.32Å; S324-R329 WeakPolarHBondContact OG-CG 3.39Å; S324-R329 PolarHBondContact OG-NH1 2.87Å; S324-R329 VanDerWaalsContact OG-NH1 3.11Å; T325-R329 PolarHBondContact O-N 2.82Å; T325-R329 PolarHBondContact O-NH1 3.4Å; S326-R329 WeakPolarHBondContact O-CB 3.27Å; S326-R329 PolarHBondContact O-N 3.29Å; S326-R329 PolarHBondContact OG-NH2 3.47Å; K327-R329 VanDerWaalsContact C-N 3.25Å; K327-R329 PolarHBondContact O-N 3.22Å; R329-E331 VanDerWaalsContact C-N 3.31Å; R329-E331 PolarHBondContact O-N 3.28Å; R329-I332 PolarHBondContact O-N 3.41Å; R329-L333 VanDerWaalsContact O-CB 3.26Å; R329-L333 WeakPolarHBondContact O-CB 3.2Å; R329-L333 PolarHBondContact O-N 2.84Å
330E98.2Very high98.3Very high131 Ų13165 Ų6561%0.61231%0.311SS*.Hα-helixtrans-62.6-38.3171.8-68.5170.1-153.300111.9S326 K327 R334S326-E330 PolarHBondContact O-N 2.93Å; S326-E330 VanDerWaalsContact O-N 3.08Å; K327-E330 WeakPolarHBondContact O-CB 3.37Å; K327-E330 PolarHBondContact O-N 3.24Å; E330-R334 WeakPolarHBondContact O-CB 3.46Å; E330-R334 PolarHBondContact O-N 2.98Å; E330-R334 VanDerWaalsContact O-N 3.13Å
331E98.3Very high98.3Very high77 Ų7769 Ų6936%0.3633%0.329SS..Hα-helixtrans-72.8-40.3177.7-63.2-175.4-159.800112.4K327 E328 R329 R334 F335K327-E331 IonicContact NZ-OE1 3.84Å; K327-E331 PolarHBondContact NZ-OE1 2.75Å; K327-E331 WeakPolarHBondContact O-CG 3.18Å; K327-E331 PolarHBondContact O-N 3.34Å; K327-E331 VanDerWaalsContact O-N 3.11Å; E328-E331 PolarHBondContact O-N 2.89Å; R329-E331 VanDerWaalsContact C-N 3.31Å; R329-E331 PolarHBondContact O-N 3.28Å; E331-R334 PolarHBondContact O-N 3.36Å; E331-F335 PolarHBondContact O-N 3.45Å
332I98.5Very high98.3Very high43 Ų4372.8 Ų72.822%0.22133%0.334CS..Hα-helixtrans-60.1-51.5171.3-71.1162.8000110.2F319 Y320 P321 E328 R329 R334 F335 K336F319-I332 HydrophobicContact CE2-CG2 4.25Å; Y320-I332 HydrophobicContact CD1-CG2 4.31Å; Y320-I332 HydrophobicContact CE1-CG2 4.39Å; P321-I332 HydrophobicContact CG-CD1 4.41Å; E328-I332 WeakPolarHBondContact O-CB 3.33Å; E328-I332 WeakPolarHBondContact O-CD1 3.25Å; E328-I332 WeakPolarHBondContact O-CG1 3.44Å; E328-I332 PolarHBondContact O-N 3Å; R329-I332 PolarHBondContact O-N 3.41Å; I332-R334 VanDerWaalsContact C-N 3.3Å; I332-R334 PolarHBondContact O-N 3.48Å; I332-F335 PolarHBondContact O-N 3.41Å; I332-K336 HydrophobicContact CG2-CG 4.03Å; I332-K336 WeakPolarHBondContact O-CB 3.46Å; I332-K336 VanDerWaalsContact O-CG 3.24Å; I332-K336 WeakPolarHBondContact O-CG 3.33Å; I332-K336 PolarHBondContact O-N 2.88Å
333L98.3Very high98.4Very high55 Ų5571 Ų7129%0.28833%0.328SS..Hα-helixtrans-58.9-40.9-178.6177.461.5000111.6F319 R329 T337 E429F319-L333 HydrophobicContact CZ-CD1 4.01Å; R329-L333 VanDerWaalsContact O-CB 3.26Å; R329-L333 WeakPolarHBondContact O-CB 3.2Å; R329-L333 PolarHBondContact O-N 2.84Å; L333-T337 VanDerWaalsContact O-CB 3.31Å; L333-T337 WeakPolarHBondContact O-CB 3.2Å; L333-T337 PolarHBondContact O-N 3.43Å; L333-T337 PolarHBondContact O-OG1 3.33Å; L333-E429 HydrophobicContact CD1-CG 4.45Å
334R98.4Very high98.4Very high138 Ų13866.6 Ų66.652%0.52131%0.309SS..Hα-helixtrans-61.7-55.5174.8-177.1177.864.3-105-0.9111.6E330 E331 I332 K336 T337 D338E330-R334 WeakPolarHBondContact O-CB 3.46Å; E330-R334 PolarHBondContact O-N 2.98Å; E330-R334 VanDerWaalsContact O-N 3.13Å; E331-R334 PolarHBondContact O-N 3.36Å; I332-R334 VanDerWaalsContact C-N 3.3Å; I332-R334 PolarHBondContact O-N 3.48Å; R334-K336 VanDerWaalsContact C-N 3.27Å; R334-K336 PolarHBondContact O-N 3.22Å; R334-T337 WeakPolarHBondContact O-CB 3.22Å; R334-T337 PolarHBondContact O-N 3.05Å; R334-T337 VanDerWaalsContact O-N 3.1Å; R334-D338 PolarHBondContact O-N 3.07Å
335F98.6Very high98.4Very high121 Ų12170.2 Ų70.253%0.53133%0.331SS..Hα-helixtrans-56.6-42.7178.4176.8-90.7000112E331 I332 T337 D338 E339E331-F335 PolarHBondContact O-N 3.45Å; I332-F335 PolarHBondContact O-N 3.41Å; F335-T337 VanDerWaalsContact C-N 3.33Å; F335-T337 PolarHBondContact O-N 3.05Å; F335-D338 PolarHBondContact O-N 2.9Å; F335-E339 HydrophobicContact CE1-CB 4.49Å; F335-E339 VanDerWaalsContact O-CB 3.3Å; F335-E339 WeakPolarHBondContact O-CB 3.32Å; F335-E339 PolarHBondContact O-N 2.87Å
336K98.4Very high98.4Very high47 Ų4773.6 Ų73.620%0.20435%0.345CS..Hα-helixtrans-71.6-25-179.7-72.8-76.7166.6-163.80113.3F319 I332 R334 E339 Y340 W432F319-K336 HydrophobicContact CE2-CB 3.97Å; F319-K336 HydrophobicContact CE2-CG 4.01Å; I332-K336 HydrophobicContact CG2-CG 4.03Å; I332-K336 WeakPolarHBondContact O-CB 3.46Å; I332-K336 VanDerWaalsContact O-CG 3.24Å; I332-K336 WeakPolarHBondContact O-CG 3.33Å; I332-K336 PolarHBondContact O-N 2.88Å; R334-K336 VanDerWaalsContact C-N 3.27Å; R334-K336 PolarHBondContact O-N 3.22Å; K336-E339 IonicContact NZ-OE2 2.72Å; K336-E339 PolarHBondContact NZ-OE2 3.25Å; K336-Y340 VanDerWaalsContact O-CB 3.26Å; K336-Y340 WeakPolarHBondContact O-CB 3.25Å; K336-Y340 PolarHBondContact O-N 3.07Å; K336-W432 HydrophobicContact CB-CG 4.43Å; K336-W432 HydrophobicContact CD-CD2 3.47Å; K336-W432 VanDerWaalsContact CD-CD2 3.47Å; K336-W432 HydrophobicContact CD-CE3 3.88Å; K336-W432 HydrophobicContact CD-CG 3.97Å; K336-W432 HydrophobicContact CD-CH2 3.97Å; K336-W432 HydrophobicContact CD-CZ2 3.53Å; K336-W432 HydrophobicContact CD-CZ3 4.13Å; K336-W432 PolarHBondContact O-NE1 2.96Å
337T98.7Very high98.4Very high40 Ų4071.3 Ų71.325%0.24533%0.328CS..Hα-helixtrans-70.7-49.8169.2-61.60000111L333 R334 F335 E339 Y340 F341 V428L333-T337 VanDerWaalsContact O-CB 3.31Å; L333-T337 WeakPolarHBondContact O-CB 3.2Å; L333-T337 PolarHBondContact O-N 3.43Å; L333-T337 PolarHBondContact O-OG1 3.33Å; R334-T337 WeakPolarHBondContact O-CB 3.22Å; R334-T337 PolarHBondContact O-N 3.05Å; R334-T337 VanDerWaalsContact O-N 3.1Å; F335-T337 VanDerWaalsContact C-N 3.33Å; F335-T337 PolarHBondContact O-N 3.05Å; T337-E339 VanDerWaalsContact C-N 3.32Å; T337-E339 PolarHBondContact O-N 2.85Å; T337-Y340 PolarHBondContact O-N 3.09Å; T337-F341 HydrophobicContact CG2-CD2 3.81Å; T337-F341 HydrophobicContact CG2-CE2 3.81Å; T337-F341 WeakPolarHBondContact O-CD2 3.35Å; T337-F341 PolarHBondContact O-N 3.41Å; T337-V428 HydrophobicContact CG2-CG2 4.28Å
338D98.5Very high98.4Very high106 Ų10670 Ų7057%0.56732%0.323SS*.Hα-helixtrans-61.3-43178.2-63.4-32.2000111R334 F335 R342R334-D338 PolarHBondContact O-N 3.07Å; F335-D338 PolarHBondContact O-N 2.9Å; D338-R342 WeakPolarHBondContact O-CB 3.44Å; D338-R342 PolarHBondContact O-N 3.32Å
339E98.7Very high98.4Very high36 Ų3669.4 Ų69.417%0.16833%0.329CS..Hα-helixtrans-63.3-43176-176.4162.2-119.900112.6F335 K336 T337 R342 M343 W432F335-E339 HydrophobicContact CE1-CB 4.49Å; F335-E339 VanDerWaalsContact O-CB 3.3Å; F335-E339 WeakPolarHBondContact O-CB 3.32Å; F335-E339 PolarHBondContact O-N 2.87Å; K336-E339 IonicContact NZ-OE2 2.72Å; K336-E339 PolarHBondContact NZ-OE2 3.25Å; T337-E339 VanDerWaalsContact C-N 3.32Å; T337-E339 PolarHBondContact O-N 2.85Å; E339-R342 PolarHBondContact O-N 2.77Å; E339-R342 IonicContact OE1-NH2 3.29Å; E339-R342 PolarHBondContact OE1-NH2 3.3Å; E339-R342 VanDerWaalsContact OE1-NH2 3.09Å; E339-M343 HydrophobicContact CG-CE 4.2Å; E339-M343 PolarHBondContact O-N 3.09Å; E339-W432 HydrophobicContact CB-CZ2 4.13Å; E339-W432 HydrophobicContact CG-CH2 4.04Å; E339-W432 HydrophobicContact CG-CZ2 3.75Å; E339-W432 WeakPolarHBondContact OE2-CH2 3.45Å; E339-W432 VanDerWaalsContact OE2-CZ2 3.32Å; E339-W432 WeakPolarHBondContact OE2-CZ2 3.48Å
340Y98.8Very high98.3Very high0 Ų070.4 Ų70.40%034%0.337CS..Hα-helixtrans-60.5-52.5176.2178.8-102.7000111.9K336 T337 R342 M343 K344 D395 T399 E427 V428 F431K336-Y340 VanDerWaalsContact O-CB 3.26Å; K336-Y340 WeakPolarHBondContact O-CB 3.25Å; K336-Y340 PolarHBondContact O-N 3.07Å; T337-Y340 PolarHBondContact O-N 3.09Å; Y340-R342 VanDerWaalsContact C-N 3.29Å; Y340-R342 PolarHBondContact O-N 3.04Å; Y340-M343 PolarHBondContact O-N 3.11Å; Y340-K344 HydrophobicContact CE1-CB 4.27Å; Y340-K344 HydrophobicContact CE1-CD 3.79Å; Y340-K344 PolarHBondContact O-N 3.15Å; Y340-D395 PolarHBondContact OH-O 3.18Å; Y340-T399 HydrophobicContact CD2-CG2 3.77Å; Y340-T399 HydrophobicContact CE2-CG2 3.38Å; Y340-T399 PolarHBondContact OH-OG1 3.33Å; Y340-E427 HydrophobicContact CE1-CG 3.97Å; Y340-E427 VanDerWaalsContact CE1-OE1 3.28Å; Y340-E427 WeakPolarHBondContact CE1-OE1 3.16Å; Y340-E427 VanDerWaalsContact CZ-OE1 3.29Å; Y340-E427 PolarHBondContact OH-OE1 3.05Å; Y340-V428 HydrophobicContact CD1-CG2 3.73Å; Y340-V428 HydrophobicContact CE1-CG2 4.47Å; Y340-V428 HydrophobicContact CG-CG2 4.11Å; Y340-F431 HydrophobicContact CD2-CB 3.63Å; Y340-F431 AromaticContact CD2-CD1 3.62Å; Y340-F431 HydrophobicContact CD2-CD1 3.62Å; Y340-F431 AromaticContact CD2-CD2 3.76Å; Y340-F431 HydrophobicContact CD2-CD2 3.76Å; Y340-F431 HydrophobicContact CD2-CE1 4.24Å; Y340-F431 HydrophobicContact CD2-CE2 4.32Å; Y340-F431 AromaticContact CD2-CG 3.36Å; Y340-F431 HydrophobicContact CD2-CG 3.36Å; Y340-F431 HydrophobicContact CE2-CB 3.48Å; Y340-F431 VanDerWaalsContact CE2-CB 3.48Å; Y340-F431 HydrophobicContact CE2-CD1 4.15Å; Y340-F431 AromaticContact CE2-CD2 3.46Å; Y340-F431 HydrophobicContact CE2-CD2 3.46Å; Y340-F431 VanDerWaalsContact CE2-CD2 3.46Å; Y340-F431 HydrophobicContact CE2-CE2 4.23Å; Y340-F431 AromaticContact CE2-CG 3.41Å; Y340-F431 HydrophobicContact CE2-CG 3.41Å; Y340-F431 VanDerWaalsContact CE2-CG 3.41Å
341F98.5Very high98.2Very high97 Ų9766.8 Ų66.843%0.42533%0.326SS..Hα-helixtrans-67.7-29.9-178.3-74.9-65.2000112.7T337 M343 K344 V345 V428T337-F341 HydrophobicContact CG2-CD2 3.81Å; T337-F341 HydrophobicContact CG2-CE2 3.81Å; T337-F341 WeakPolarHBondContact O-CD2 3.35Å; T337-F341 PolarHBondContact O-N 3.41Å; F341-M343 VanDerWaalsContact C-N 3.26Å; F341-M343 PolarHBondContact O-N 2.84Å; F341-K344 HydrophobicContact CD1-CD 4.16Å; F341-K344 HydrophobicContact CE1-CD 4.14Å; F341-K344 PolarHBondContact O-N 3.36Å; F341-V345 WeakPolarHBondContact O-CB 3.45Å; F341-V345 WeakPolarHBondContact O-CG1 3.37Å; F341-V345 PolarHBondContact O-N 2.88Å; F341-V428 HydrophobicContact CE2-CG2 3.99Å; F341-V428 HydrophobicContact CZ-CG2 4.42Å
342R98.6Very high98Very high147 Ų14771.3 Ų71.356%0.55535%0.347SS*.Hα-helixtrans-63.3-26.2169.3-177.7-174.466.5157.5-2.8113.3D338 E339 Y340 Q346D338-R342 WeakPolarHBondContact O-CB 3.44Å; D338-R342 PolarHBondContact O-N 3.32Å; E339-R342 PolarHBondContact O-N 2.77Å; E339-R342 IonicContact OE1-NH2 3.29Å; E339-R342 PolarHBondContact OE1-NH2 3.3Å; E339-R342 VanDerWaalsContact OE1-NH2 3.09Å; Y340-R342 VanDerWaalsContact C-N 3.29Å; Y340-R342 PolarHBondContact O-N 3.04Å; R342-Q346 WeakPolarHBondContact O-CG 3.42Å; R342-Q346 PolarHBondContact O-NE2 3.43Å
343M98.8Very high97.8Very high13 Ų1375 Ų756%0.06436%0.363CS..Hα-helixtrans-87.4-43.4171.6-66.3-177.5-61.100111.6E339 Y340 F341 V345 Q346 T399 M402 Y403 F431 W432E339-M343 HydrophobicContact CG-CE 4.2Å; E339-M343 PolarHBondContact O-N 3.09Å; Y340-M343 PolarHBondContact O-N 3.11Å; F341-M343 VanDerWaalsContact C-N 3.26Å; F341-M343 PolarHBondContact O-N 2.84Å; M343-V345 VanDerWaalsContact C-N 3.28Å; M343-V345 PolarHBondContact O-N 2.91Å; M343-Q346 VanDerWaalsContact O-CB 3.31Å; M343-Q346 WeakPolarHBondContact O-CB 3.32Å; M343-Q346 PolarHBondContact O-N 3.27Å; M343-T399 HydrophobicContact CB-CG2 3.66Å; M343-M402 HydrophobicContact CB-CB 4.27Å; M343-Y403 HydrophobicContact CE-CD2 4.2Å; M343-Y403 HydrophobicContact SD-CD2 3.84Å; M343-Y403 HydrophobicContact SD-CG 4.35Å; M343-F431 HydrophobicContact CE-CE1 3.6Å; M343-F431 HydrophobicContact CE-CE2 4.38Å; M343-F431 HydrophobicContact CE-CZ 3.45Å; M343-F431 VanDerWaalsContact CE-CZ 3.45Å; M343-W432 HydrophobicContact CE-CH2 4Å; M343-W432 HydrophobicContact CE-CZ2 3.89Å
344K98.6Very high97.6Very high25 Ų2577.4 Ų77.411%0.10937%0.373CS..Hα-helixtrans-58.7-37.4178.8-178.9168176.4169.10112.9Y340 F341 Q346 W347 K348 D395 T399 E427Y340-K344 HydrophobicContact CE1-CB 4.27Å; Y340-K344 HydrophobicContact CE1-CD 3.79Å; Y340-K344 PolarHBondContact O-N 3.15Å; F341-K344 HydrophobicContact CD1-CD 4.16Å; F341-K344 HydrophobicContact CE1-CD 4.14Å; F341-K344 PolarHBondContact O-N 3.36Å; K344-Q346 VanDerWaalsContact C-N 3.25Å; K344-Q346 PolarHBondContact O-N 2.93Å; K344-W347 HydrophobicContact CG-CZ2 4.32Å; K344-W347 PolarHBondContact O-NE1 3.18Å; K344-K348 HydrophobicContact CG-CG 4.1Å; K344-K348 VanDerWaalsContact O-CB 3.32Å; K344-K348 WeakPolarHBondContact O-CB 3.4Å; K344-K348 VanDerWaalsContact O-CG 3.28Å; K344-K348 WeakPolarHBondContact O-CG 3.44Å; K344-K348 PolarHBondContact O-N 3.45Å; K344-K348 VanDerWaalsContact O-N 3.11Å; K344-D395 WeakPolarHBondContact CE-OD2 3.44Å; K344-D395 IonicContact NZ-OD2 2.76Å; K344-D395 PolarHBondContact NZ-OD2 2.99Å; K344-T399 HydrophobicContact CB-CG2 4.07Å; K344-T399 WeakPolarHBondContact CB-OG1 3.29Å; K344-E427 VanDerWaalsContact CD-OE1 3.3Å; K344-E427 WeakPolarHBondContact CD-OE1 3.31Å; K344-E427 WeakPolarHBondContact CE-OE1 3.28Å; K344-E427 IonicContact NZ-OE1 2.64Å; K344-E427 PolarHBondContact NZ-OE1 3.18Å; K344-E427 IonicContact NZ-OE2 3.52Å; K344-E427 PolarHBondContact NZ-OE2 3.43Å
345V98.4Very high97.1Very high84 Ų8472 Ų7251%0.50935%0.354SS..Hα-helixtrans-65.8-26.8177.172.40000112.7F341 M343 S349F341-V345 WeakPolarHBondContact O-CB 3.45Å; F341-V345 WeakPolarHBondContact O-CG1 3.37Å; F341-V345 PolarHBondContact O-N 2.88Å; M343-V345 VanDerWaalsContact C-N 3.28Å; M343-V345 PolarHBondContact O-N 2.91Å; V345-S349 WeakPolarHBondContact O-CB 3.47Å; V345-S349 PolarHBondContact O-N 3Å; V345-S349 PolarHBondContact O-OG 2.96Å
346Q98.1Very high96.7Very high87 Ų8771.2 Ų71.241%0.40735%0.353SS..Hα-helixtrans-61.8-59.3-179.4-61.7171.131.600109.8R342 M343 K344 S349 V350 M402R342-Q346 WeakPolarHBondContact O-CG 3.42Å; R342-Q346 PolarHBondContact O-NE2 3.43Å; M343-Q346 VanDerWaalsContact O-CB 3.31Å; M343-Q346 WeakPolarHBondContact O-CB 3.32Å; M343-Q346 PolarHBondContact O-N 3.27Å; K344-Q346 VanDerWaalsContact C-N 3.25Å; K344-Q346 PolarHBondContact O-N 2.93Å; Q346-S349 PolarHBondContact O-N 2.69Å; Q346-S349 PolarHBondContact O-OG 3Å; Q346-V350 WeakPolarHBondContact O-CG2 3.38Å; Q346-M402 HydrophobicContact CB-CG 4.15Å; Q346-M402 HydrophobicContact CB-SD 3.85Å
347W97.9Very high96.4Very high6 Ų675.8 Ų75.82%0.02337%0.369CS..Hα-helixtrans-69.8-33.9178.274.3-99000113.5K344 S349 V350 H394 D395 M398 T399 M402K344-W347 HydrophobicContact CG-CZ2 4.32Å; K344-W347 PolarHBondContact O-NE1 3.18Å; W347-S349 PolarHBondContact O-N 2.96Å; W347-V350 PolarHBondContact O-N 3.07Å; W347-H394 AromaticContact CH2-CE1 3.52Å; W347-H394 AromaticContact CH2-ND1 3.89Å; W347-H394 AromaticContact CZ3-CE1 3.75Å; W347-D395 HydrophobicContact CH2-CB 4.46Å; W347-D395 VanDerWaalsContact CH2-OD1 3.28Å; W347-D395 WeakPolarHBondContact CH2-OD1 3.31Å; W347-D395 HydrophobicContact CZ2-CB 4.02Å; W347-M398 HydrophobicContact CB-CE 4.28Å; W347-M398 HydrophobicContact CD2-CB 3.62Å; W347-M398 HydrophobicContact CD2-CE 4.1Å; W347-M398 HydrophobicContact CD2-CG 4.42Å; W347-M398 VanDerWaalsContact CE2-CB 3.41Å; W347-M398 HydrophobicContact CE3-CB 4.01Å; W347-M398 HydrophobicContact CE3-CE 3.76Å; W347-M398 HydrophobicContact CE3-CG 4.32Å; W347-M398 HydrophobicContact CG-CB 4.09Å; W347-M398 HydrophobicContact CG-CE 4.35Å; W347-M398 HydrophobicContact CH2-CB 3.97Å; W347-M398 HydrophobicContact CH2-CG 4.27Å; W347-M398 HydrophobicContact CZ2-CB 3.62Å; W347-M398 HydrophobicContact CZ2-CG 4.4Å; W347-M398 HydrophobicContact CZ3-CB 4.17Å; W347-M398 HydrophobicContact CZ3-CE 4.36Å; W347-M398 HydrophobicContact CZ3-CG 4.24Å; W347-T399 PolarHBondContact NE1-OG1 2.94Å; W347-M402 HydrophobicContact CB-CE 4.2Å; W347-M402 HydrophobicContact CB-CG 3.84Å; W347-M402 HydrophobicContact CB-SD 3.83Å; W347-M402 HydrophobicContact CG-CG 4.2Å
348K97.7Very high96Very high108 Ų10876.5 Ų76.547%0.4737%0.371SS..Hα-helixtrans-66.1-20.5175.5-76.6-82.4-170.3-169.20113.5K344 D395K344-K348 HydrophobicContact CG-CG 4.1Å; K344-K348 VanDerWaalsContact O-CB 3.32Å; K344-K348 WeakPolarHBondContact O-CB 3.4Å; K344-K348 VanDerWaalsContact O-CG 3.28Å; K344-K348 WeakPolarHBondContact O-CG 3.44Å; K344-K348 PolarHBondContact O-N 3.45Å; K344-K348 VanDerWaalsContact O-N 3.11Å; K348-D395 WeakPolarHBondContact CE-OD2 3.5Å; K348-D395 VanDerWaalsContact NZ-CG 3.34Å; K348-D395 IonicContact NZ-OD1 3.99Å; K348-D395 PolarHBondContact NZ-OD1 3.29Å; K348-D395 VanDerWaalsContact NZ-OD1 3.17Å; K348-D395 IonicContact NZ-OD2 2.92Å; K348-D395 PolarHBondContact NZ-OD2 2.92Å
349S97.6Very high95.5Very high81 Ų8175.1 Ų75.157%0.56637%0.37SS*.THydrogen-bonded Turntrans-96.2-5.3-179.768.10000114.4V345 Q346 W347 S351V345-S349 WeakPolarHBondContact O-CB 3.47Å; V345-S349 PolarHBondContact O-N 3Å; V345-S349 PolarHBondContact O-OG 2.96Å; Q346-S349 PolarHBondContact O-N 2.69Å; Q346-S349 PolarHBondContact O-OG 3Å; W347-S349 PolarHBondContact O-N 2.96Å; S349-S351 PolarHBondContact O-N 3.16Å
350V96.6Very high94.8Very high37 Ų3778 Ų7822%0.22439%0.386CS..  trans-65.7120.6174.3177.50000109.4Q346 W347 Q354 E355 L361Q346-V350 WeakPolarHBondContact O-CG2 3.38Å; W347-V350 PolarHBondContact O-N 3.07Å; V350-Q354 HydrophobicContact CG1-CB 3.69Å; V350-E355 HydrophobicContact CG1-CB 3.91Å; V350-L361 HydrophobicContact CB-CD2 4.49Å; V350-L361 HydrophobicContact CG1-CD2 4.25Å; V350-L361 HydrophobicContact CG2-CD2 3.91Å
351S97.1Very high94.3Very high55 Ų5578.2 Ų78.239%0.38539%0.387SS..  trans-76.1161.5173.775.50000112.1S349 E353 Q354 E355S349-S351 PolarHBondContact O-N 3.16Å; S351-E353 PolarHBondContact O-N 3.46Å; S351-Q354 WeakPolarHBondContact O-CA 3.35Å; S351-Q354 WeakPolarHBondContact O-CB 3.31Å; S351-Q354 PolarHBondContact O-N 3.42Å; S351-Q354 WeakPolarHBondContact OG-CG 3.3Å; S351-Q354 PolarHBondContact OG-N 3.33Å; S351-Q354 PolarHBondContact OG-OE1 3.36Å; S351-E355 PolarHBondContact O-N 2.96Å
352E93Very high94Very high172 Ų17278.3 Ų78.380%0.80439%0.385SS*.Hα-helixtrans-52.9-41.4175.9-62.9177.2-178.600111.9Q354 E355 M356E352-Q354 PolarHBondContact O-N 3.12Å; E352-E355 PolarHBondContact O-N 3.4Å; E352-M356 WeakPolarHBondContact O-CG 3.17Å; E352-M356 PolarHBondContact O-N 2.98Å
353E95.3Very high93.3Very high120 Ų12072.8 Ų72.856%0.56137%0.373SS*.Hα-helixtrans-63.9-36.4174.5-75.9-165.7-133.400113.8S351 R357S351-E353 PolarHBondContact O-N 3.46Å; E353-R357 WeakPolarHBondContact O-CD 3.24Å; E353-R357 VanDerWaalsContact O-CG 3.23Å; E353-R357 WeakPolarHBondContact O-CG 3.44Å; E353-R357 PolarHBondContact O-N 3.37Å; E353-R357 PolarHBondContact O-NE 3.21Å; E353-R357 VanDerWaalsContact O-NE 3.09Å; E353-R357 IonicContact OE2-CZ 3.68Å; E353-R357 IonicContact OE2-NH2 3.09Å; E353-R357 PolarHBondContact OE2-NH2 3.49Å
354Q94.3Very high92.9Very high106 Ų10673.6 Ų73.650%0.49538%0.376SS..Hα-helixtrans-73-36.6177.1-70.3173-59.600110.7V350 S351 E352 R357 N358V350-Q354 HydrophobicContact CG1-CB 3.69Å; S351-Q354 WeakPolarHBondContact O-CA 3.35Å; S351-Q354 WeakPolarHBondContact O-CB 3.31Å; S351-Q354 PolarHBondContact O-N 3.42Å; S351-Q354 WeakPolarHBondContact OG-CG 3.3Å; S351-Q354 PolarHBondContact OG-N 3.33Å; S351-Q354 PolarHBondContact OG-OE1 3.36Å; E352-Q354 PolarHBondContact O-N 3.12Å; Q354-R357 PolarHBondContact O-N 2.84Å; Q354-N358 WeakPolarHBondContact O-CB 3.32Å; Q354-N358 PolarHBondContact O-N 3.25Å
355E87.8Confident92.7Very high25 Ų2574.8 Ų74.812%0.11738%0.38CS..Hα-helixtrans-72.8-31.8176.2-175.8161.4-174.600113.1V350 S351 E352 R357 N358 R362 R365V350-E355 HydrophobicContact CG1-CB 3.91Å; S351-E355 PolarHBondContact O-N 2.96Å; E352-E355 PolarHBondContact O-N 3.4Å; E355-R357 VanDerWaalsContact C-N 3.25Å; E355-R357 PolarHBondContact O-N 3.18Å; E355-N358 CarbonylContact O-C 3.52Å; E355-N358 PolarHBondContact O-N 3.29Å; E355-R362 HydrophobicContact CG-CB 3.77Å; E355-R362 HydrophobicContact CG-CG 3.98Å; E355-R362 PolarHBondContact O-NH1 2.88Å; E355-R362 WeakPolarHBondContact OE1-CA 3.19Å; E355-R365 VanDerWaalsContact CD-NE 3.31Å; E355-R365 WeakPolarHBondContact OE1-CD 3.21Å; E355-R365 IonicContact OE1-CZ 3.81Å; E355-R365 IonicContact OE1-NE 2.71Å; E355-R365 PolarHBondContact OE1-NE 2.55Å; E355-R365 IonicContact OE1-NH2 3.7Å; E355-R365 IonicContact OE2-CZ 3.24Å; E355-R365 VanDerWaalsContact OE2-CZ 3.27Å; E355-R365 IonicContact OE2-NE 3.9Å; E355-R365 PolarHBondContact OE2-NE 2.89Å; E355-R365 VanDerWaalsContact OE2-NE 3.08Å; E355-R365 IonicContact OE2-NH2 3.51Å; E355-R365 PolarHBondContact OE2-NH2 2.92Å
356M88.3Confident92.2Very high103 Ų10373.9 Ų73.951%0.50738%0.377SS..Hα-helixtrans-59.2-39.3168.7-78.1-177.668.700111.4E352 R362E352-M356 WeakPolarHBondContact O-CG 3.17Å; E352-M356 PolarHBondContact O-N 2.98Å; M356-R362 VanDerWaalsContact C-NH1 3.31Å; M356-R362 PolarHBondContact O-NH1 2.73Å
357R92.6Very high91.5Very high143 Ų14371.9 Ų71.954%0.5437%0.369SS..Hα-helixtrans-80.8-31.9-179.7-61.2167.7-146.6-88.38.9112.7E353 Q354 E355 S359E353-R357 WeakPolarHBondContact O-CD 3.24Å; E353-R357 VanDerWaalsContact O-CG 3.23Å; E353-R357 WeakPolarHBondContact O-CG 3.44Å; E353-R357 PolarHBondContact O-N 3.37Å; E353-R357 PolarHBondContact O-NE 3.21Å; E353-R357 VanDerWaalsContact O-NE 3.09Å; E353-R357 IonicContact OE2-CZ 3.68Å; E353-R357 IonicContact OE2-NH2 3.09Å; E353-R357 PolarHBondContact OE2-NH2 3.49Å; Q354-R357 PolarHBondContact O-N 2.84Å; E355-R357 VanDerWaalsContact C-N 3.25Å; E355-R357 PolarHBondContact O-N 3.18Å; R357-S359 PolarHBondContact O-N 3.48Å
358N89.9Confident91.2Very high55 Ų5571.6 Ų71.629%0.29437%0.368SS..  trans-91.284.8175.5-169.7-18.4000111.8Q354 E355 L360 L361 R362Q354-N358 WeakPolarHBondContact O-CB 3.32Å; Q354-N358 PolarHBondContact O-N 3.25Å; E355-N358 CarbonylContact O-C 3.52Å; E355-N358 PolarHBondContact O-N 3.29Å; N358-L360 VanDerWaalsContact C-N 3.31Å; N358-L360 PolarHBondContact O-N 3.25Å; N358-L360 PolarHBondContact OD1-N 2.65Å; N358-L361 HydrophobicContact CB-CB 4.24Å; N358-L361 VanDerWaalsContact CG-CB 3.49Å; N358-L361 PolarHBondContact OD1-N 3.12Å; N358-R362 PolarHBondContact O-N 3.37Å
359S88.3Confident90.9Very high78 Ų7870.4 Ų70.455%0.54536%0.364SS..Hα-helixtrans-62.5-31-179.654.30000114.5R357 G363R357-S359 PolarHBondContact O-N 3.48Å; S359-G363 PolarHBondContact O-N 2.96Å
360L84.8Confident90.5Very high97 Ų9772 Ų7251%0.50836%0.357SS..Hα-helixtrans-69.5-51.7178.3-69.4174.1000111.1N358 R362 G363 Y364 F405N358-L360 VanDerWaalsContact C-N 3.31Å; N358-L360 PolarHBondContact O-N 3.25Å; N358-L360 PolarHBondContact OD1-N 2.65Å; L360-R362 VanDerWaalsContact C-N 3.32Å; L360-R362 PolarHBondContact O-N 2.72Å; L360-G363 CarbonylContact O-C 3.55Å; L360-G363 WeakPolarHBondContact O-CA 3.18Å; L360-G363 PolarHBondContact O-N 2.74Å; L360-Y364 HydrophobicContact CB-CE2 4.34Å; L360-Y364 WeakPolarHBondContact O-CD2 3.3Å; L360-Y364 PolarHBondContact O-N 3.05Å; L360-F405 HydrophobicContact CB-CE1 4.17Å; L360-F405 HydrophobicContact CB-CZ 4.01Å; L360-F405 HydrophobicContact CD1-CE1 4.03Å
361L88.1Confident90.1Very high3 Ų370.2 Ų70.22%0.01635%0.347CS..Hα-helixtrans-60.2-42.3178.7-179.558000111.9V350 N358 G363 Y364 R365 M398 M402 F405V350-L361 HydrophobicContact CB-CD2 4.49Å; V350-L361 HydrophobicContact CG1-CD2 4.25Å; V350-L361 HydrophobicContact CG2-CD2 3.91Å; N358-L361 HydrophobicContact CB-CB 4.24Å; N358-L361 VanDerWaalsContact CG-CB 3.49Å; N358-L361 PolarHBondContact OD1-N 3.12Å; L361-G363 VanDerWaalsContact C-N 3.28Å; L361-G363 PolarHBondContact O-N 2.78Å; L361-Y364 PolarHBondContact O-N 3.4Å; L361-R365 PolarHBondContact O-N 2.69Å; L361-M398 HydrophobicContact CD1-CE 3.84Å; L361-M402 HydrophobicContact CD1-CE 3.7Å; L361-M402 HydrophobicContact CD2-CE 4.44Å; L361-F405 HydrophobicContact CB-CE2 4.23Å; L361-F405 HydrophobicContact CB-CZ 4.41Å
362R91.9Very high89.9Confident100 Ų10068 Ų6838%0.37733%0.331SS..Hα-helixtrans-62.4-36.6174.3-169.1173.767.9-113.813.3112.2E355 M356 N358 L360 S366E355-R362 HydrophobicContact CG-CB 3.77Å; E355-R362 HydrophobicContact CG-CG 3.98Å; E355-R362 PolarHBondContact O-NH1 2.88Å; E355-R362 WeakPolarHBondContact OE1-CA 3.19Å; M356-R362 VanDerWaalsContact C-NH1 3.31Å; M356-R362 PolarHBondContact O-NH1 2.73Å; N358-R362 PolarHBondContact O-N 3.37Å; L360-R362 VanDerWaalsContact C-N 3.32Å; L360-R362 PolarHBondContact O-N 2.72Å; R362-S366 WeakPolarHBondContact O-CB 3.38Å; R362-S366 PolarHBondContact O-N 3.3Å; R362-S366 PolarHBondContact O-OG 3.07Å
363G83.5Confident89.8Confident31 Ų3164.6 Ų64.632%0.3232%0.318SS..Hα-helixtrans-61.3-53.1172.300000111.8S359 L360 L361 R365 S366 L367S359-G363 PolarHBondContact O-N 2.96Å; L360-G363 CarbonylContact O-C 3.55Å; L360-G363 WeakPolarHBondContact O-CA 3.18Å; L360-G363 PolarHBondContact O-N 2.74Å; L361-G363 VanDerWaalsContact C-N 3.28Å; L361-G363 PolarHBondContact O-N 2.78Å; G363-R365 PolarHBondContact O-N 2.72Å; G363-S366 PolarHBondContact O-N 3.01Å; G363-L367 WeakPolarHBondContact O-CG 3.14Å; G363-L367 PolarHBondContact O-N 3.36Å
364Y91.1Very high89.6Confident30 Ų3063 Ų6312%0.11831%0.307CS..Hα-helixtrans-58.2-46.7177.2-58.8-39.3000111.9L360 L361 S366 L367 I368 C401 F405L360-Y364 HydrophobicContact CB-CE2 4.34Å; L360-Y364 WeakPolarHBondContact O-CD2 3.3Å; L360-Y364 PolarHBondContact O-N 3.05Å; L361-Y364 PolarHBondContact O-N 3.4Å; Y364-S366 PolarHBondContact O-N 2.95Å; Y364-L367 PolarHBondContact O-N 2.63Å; Y364-I368 VanDerWaalsContact O-CG1 3.29Å; Y364-I368 WeakPolarHBondContact O-CG1 3.28Å; Y364-I368 PolarHBondContact O-N 3.46Å; Y364-C401 HydrophobicContact CD2-CB 4.39Å; Y364-F405 HydrophobicContact CE2-CD2 4.48Å; Y364-F405 HydrophobicContact CE2-CE2 4.27Å; Y364-F405 HydrophobicContact CE2-CZ 4.31Å; Y364-F405 PolarHBondContact OH-O 2.54Å
365R93.6Very high89.3Confident50 Ų5058.1 Ų58.119%0.18928%0.284CS..Hα-helixtrans-56.4-49175.2-171.1-157.3-72.1-9210111.4E355 L361 G363 L367 I368 E369 M398E355-R365 VanDerWaalsContact CD-NE 3.31Å; E355-R365 WeakPolarHBondContact OE1-CD 3.21Å; E355-R365 IonicContact OE1-CZ 3.81Å; E355-R365 IonicContact OE1-NE 2.71Å; E355-R365 PolarHBondContact OE1-NE 2.55Å; E355-R365 IonicContact OE1-NH2 3.7Å; E355-R365 IonicContact OE2-CZ 3.24Å; E355-R365 VanDerWaalsContact OE2-CZ 3.27Å; E355-R365 IonicContact OE2-NE 3.9Å; E355-R365 PolarHBondContact OE2-NE 2.89Å; E355-R365 VanDerWaalsContact OE2-NE 3.08Å; E355-R365 IonicContact OE2-NH2 3.51Å; E355-R365 PolarHBondContact OE2-NH2 2.92Å; L361-R365 PolarHBondContact O-N 2.69Å; G363-R365 PolarHBondContact O-N 2.72Å; R365-L367 VanDerWaalsContact C-N 3.27Å; R365-L367 PolarHBondContact O-N 3.36Å; R365-I368 PolarHBondContact O-N 3.25Å; R365-E369 VanDerWaalsContact CD-OE1 3.24Å; R365-E369 WeakPolarHBondContact CD-OE1 3.3Å; R365-E369 HydrophobicContact CG-CG 4.26Å; R365-E369 WeakPolarHBondContact CG-OE1 3.43Å; R365-E369 WeakPolarHBondContact O-CB 3.46Å; R365-E369 WeakPolarHBondContact O-CG 3.49Å; R365-E369 PolarHBondContact O-N 2.71Å; R365-M398 HydrophobicContact CB-CE 4.05Å; R365-M398 HydrophobicContact CB-SD 3.83Å; R365-M398 HydrophobicContact CG-CE 4.23Å; R365-M398 HydrophobicContact CG-SD 4.03Å
366S88.6Confident89.5Confident64 Ų6457.8 Ų57.845%0.44828%0.283SS..Hα-helixtrans-61-34.4-179.3-58.70000113R362 G363 Y364 R370R362-S366 WeakPolarHBondContact O-CB 3.38Å; R362-S366 PolarHBondContact O-N 3.3Å; R362-S366 PolarHBondContact O-OG 3.07Å; G363-S366 PolarHBondContact O-N 3.01Å; Y364-S366 PolarHBondContact O-N 2.95Å; S366-R370 WeakPolarHBondContact O-CB 3.46Å; S366-R370 PolarHBondContact O-N 3.45Å
367L83.3Confident89.7Confident45 Ų4557.2 Ų57.224%0.23628%0.276CS..Hα-helixtrans-73.5-44.7174.7-67173.7000111.7G363 Y364 R365 R370 D371 Y409G363-L367 WeakPolarHBondContact O-CG 3.14Å; G363-L367 PolarHBondContact O-N 3.36Å; Y364-L367 PolarHBondContact O-N 2.63Å; R365-L367 VanDerWaalsContact C-N 3.27Å; R365-L367 PolarHBondContact O-N 3.36Å; L367-R370 VanDerWaalsContact CD2-NH2 3.33Å; L367-R370 PolarHBondContact O-N 2.92Å; L367-D371 WeakPolarHBondContact O-CB 3.48Å; L367-D371 PolarHBondContact O-N 3.44Å; L367-Y409 HydrophobicContact CB-CD1 3.61Å; L367-Y409 HydrophobicContact CB-CE1 3.86Å
368I91.4Very high89.5Confident0 Ų057.5 Ų57.50%029%0.288CS..Hα-helixtrans-59.2-49.3176.2-70.1164.2000110.4Y364 R365 R370 D371 V372 H394 L397 M398 Y409Y364-I368 VanDerWaalsContact O-CG1 3.29Å; Y364-I368 WeakPolarHBondContact O-CG1 3.28Å; Y364-I368 PolarHBondContact O-N 3.46Å; R365-I368 PolarHBondContact O-N 3.25Å; I368-R370 VanDerWaalsContact C-N 3.33Å; I368-R370 PolarHBondContact O-N 2.96Å; I368-D371 PolarHBondContact O-N 2.99Å; I368-V372 HydrophobicContact CG2-CG2 3.87Å; I368-V372 WeakPolarHBondContact O-CB 3.43Å; I368-V372 VanDerWaalsContact O-CG2 3.25Å; I368-V372 WeakPolarHBondContact O-CG2 3.39Å; I368-V372 PolarHBondContact O-N 2.83Å; I368-H394 HydrophobicContact CG2-CB 4.42Å; I368-L397 HydrophobicContact CD1-CB 3.81Å; I368-L397 HydrophobicContact CG1-CB 3.97Å; I368-L397 HydrophobicContact CG2-CB 4.02Å; I368-L397 HydrophobicContact CG2-CD1 4.09Å; I368-M398 HydrophobicContact CD1-CG 3.96Å; I368-M398 HydrophobicContact CD1-SD 3.55Å; I368-M398 VanDerWaalsContact CD1-SD 3.55Å; I368-Y409 HydrophobicContact CD1-CD2 4.1Å; I368-Y409 HydrophobicContact CD1-CG 3.98Å; I368-Y409 HydrophobicContact CG1-CD1 3.77Å; I368-Y409 HydrophobicContact CG1-CD2 3.45Å; I368-Y409 VanDerWaalsContact CG1-CD2 3.45Å; I368-Y409 HydrophobicContact CG1-CE1 4.23Å; I368-Y409 HydrophobicContact CG1-CE2 3.93Å; I368-Y409 HydrophobicContact CG1-CG 3.36Å
369E92Very high89.5Confident84 Ų8455.8 Ų55.839%0.39328%0.279SS..Hα-helixtrans-60.1-42.3178.8-73.4176.2178.400111.7R365 D371 N373R365-E369 VanDerWaalsContact CD-OE1 3.24Å; R365-E369 WeakPolarHBondContact CD-OE1 3.3Å; R365-E369 HydrophobicContact CG-CG 4.26Å; R365-E369 WeakPolarHBondContact CG-OE1 3.43Å; R365-E369 WeakPolarHBondContact O-CB 3.46Å; R365-E369 WeakPolarHBondContact O-CG 3.49Å; R365-E369 PolarHBondContact O-N 2.71Å; E369-D371 VanDerWaalsContact C-N 3.32Å; E369-D371 PolarHBondContact O-N 2.83Å; E369-N373 WeakPolarHBondContact O-CB 3.42Å; E369-N373 PolarHBondContact O-N 3.05Å; E369-N373 PolarHBondContact O-ND2 3.32Å
370R88.6Confident89.7Confident114 Ų11457.7 Ų57.743%0.4329%0.287SS..Hα-helixtrans-60.3-42.2175.5-177.5171.276.2-152.113.6112D209 S366 L367 I368 R374D209-R370 IonicContact OD2-NH2 2.67Å; S366-R370 WeakPolarHBondContact O-CB 3.46Å; S366-R370 PolarHBondContact O-N 3.45Å; L367-R370 VanDerWaalsContact CD2-NH2 3.33Å; L367-R370 PolarHBondContact O-N 2.92Å; I368-R370 VanDerWaalsContact C-N 3.33Å; I368-R370 PolarHBondContact O-N 2.96Å; R370-R374 VanDerWaalsContact O-CD 3.29Å; R370-R374 WeakPolarHBondContact O-CD 3.49Å; R370-R374 WeakPolarHBondContact O-CG 3.42Å
371D88.6Confident90Very high0 Ų055.3 Ų55.30%027%0.273CS..Hα-helixtrans-82.3-41.4-174.1-92.432.3000113.9L367 I368 E369 N373 R374 T375 Y409 Q411 G412L367-D371 WeakPolarHBondContact O-CB 3.48Å; L367-D371 PolarHBondContact O-N 3.44Å; I368-D371 PolarHBondContact O-N 2.99Å; E369-D371 VanDerWaalsContact C-N 3.32Å; E369-D371 PolarHBondContact O-N 2.83Å; D371-N373 VanDerWaalsContact C-N 3.33Å; D371-N373 PolarHBondContact O-N 2.75Å; D371-R374 CarbonylContact O-C 3.58Å; D371-R374 VanDerWaalsContact O-CG 3.3Å; D371-R374 WeakPolarHBondContact O-CG 3.5Å; D371-R374 PolarHBondContact O-N 2.94Å; D371-R374 IonicContact OD1-CZ 2.75Å; D371-R374 IonicContact OD1-NE 2.77Å; D371-R374 PolarHBondContact OD1-NE 3.25Å; D371-R374 IonicContact OD1-NH2 2.85Å; D371-R374 PolarHBondContact OD1-NH2 2.67Å; D371-R374 IonicContact OD2-CZ 3.81Å; D371-R374 IonicContact OD2-NH2 3.85Å; D371-R374 PolarHBondContact OD2-NH2 2.87Å; D371-T375 WeakPolarHBondContact O-CB 3.37Å; D371-T375 PolarHBondContact O-N 3.02Å; D371-T375 PolarHBondContact O-OG1 2.91Å; D371-Y409 WeakPolarHBondContact CB-OH 3.38Å; D371-Y409 PolarHBondContact OD2-OH 2.91Å; D371-Y409 VanDerWaalsContact OD2-OH 3.08Å; D371-Q411 VanDerWaalsContact CG-CG 3.49Å; D371-Q411 WeakPolarHBondContact OD1-CG 3.35Å; D371-Q411 WeakPolarHBondContact OD2-CG 3.31Å; D371-G412 PolarHBondContact OD2-N 3.01Å
372V93.5Very high90.2Very high8 Ų855.2 Ų55.25%0.04827%0.272CS..Hα-helixtrans-59.2-45.8175.2169.40000110.4I368 R374 T375 L390 L393 H394 L397I368-V372 HydrophobicContact CG2-CG2 3.87Å; I368-V372 WeakPolarHBondContact O-CB 3.43Å; I368-V372 VanDerWaalsContact O-CG2 3.25Å; I368-V372 WeakPolarHBondContact O-CG2 3.39Å; I368-V372 PolarHBondContact O-N 2.83Å; V372-R374 PolarHBondContact O-N 3.15Å; V372-T375 PolarHBondContact O-N 2.74Å; V372-L390 HydrophobicContact CG1-CB 3.82Å; V372-L390 HydrophobicContact CG1-CD2 4.08Å; V372-L390 HydrophobicContact CG1-CG 4.5Å; V372-L390 VanDerWaalsContact CG1-O 3.27Å; V372-L390 WeakPolarHBondContact CG1-O 3.21Å; V372-L390 WeakPolarHBondContact O-CD2 3.39Å; V372-L393 HydrophobicContact CG1-CB 4.12Å; V372-L393 HydrophobicContact CG1-CD1 4.42Å; V372-L393 HydrophobicContact CG2-CB 3.82Å; V372-H394 HydrophobicContact CG2-CB 4.41Å; V372-L397 HydrophobicContact CG2-CD1 3.99Å
373N90.8Very high90.1Very high101 Ų10152.8 Ų52.854%0.5427%0.271SS..THydrogen-bonded Turntrans-58.4-25179.5-83.9-56.1000114.2E369 D371 R377E369-N373 WeakPolarHBondContact O-CB 3.42Å; E369-N373 PolarHBondContact O-N 3.05Å; E369-N373 PolarHBondContact O-ND2 3.32Å; D371-N373 VanDerWaalsContact C-N 3.33Å; D371-N373 PolarHBondContact O-N 2.75Å; N373-R377 PolarHBondContact O-NH1 2.97Å
374R90.3Very high90.2Very high87 Ų8753.4 Ų53.433%0.32828%0.277SS..THydrogen-bonded Turntrans-109.4-2.8-178.769.3-166.7-170.78514114.5Y211 R370 D371 V372 Q411Y211-R374 VanDerWaalsContact CD1-NH1 3.32Å; R370-R374 VanDerWaalsContact O-CD 3.29Å; R370-R374 WeakPolarHBondContact O-CD 3.49Å; R370-R374 WeakPolarHBondContact O-CG 3.42Å; D371-R374 CarbonylContact O-C 3.58Å; D371-R374 VanDerWaalsContact O-CG 3.3Å; D371-R374 WeakPolarHBondContact O-CG 3.5Å; D371-R374 PolarHBondContact O-N 2.94Å; D371-R374 IonicContact OD1-CZ 2.75Å; D371-R374 IonicContact OD1-NE 2.77Å; D371-R374 PolarHBondContact OD1-NE 3.25Å; D371-R374 IonicContact OD1-NH2 2.85Å; D371-R374 PolarHBondContact OD1-NH2 2.67Å; D371-R374 IonicContact OD2-CZ 3.81Å; D371-R374 IonicContact OD2-NH2 3.85Å; D371-R374 PolarHBondContact OD2-NH2 2.87Å; V372-R374 PolarHBondContact O-N 3.15Å; R374-Q411 VanDerWaalsContact NH2-NE2 3.16Å
375T89.4Confident89.8Confident2 Ų258.9 Ų58.91%0.01231%0.308CS..SBendtrans-74.4125-178.1-65.70000111D371 V372 R377 L393 S414D371-T375 WeakPolarHBondContact O-CB 3.37Å; D371-T375 PolarHBondContact O-N 3.02Å; D371-T375 PolarHBondContact O-OG1 2.91Å; V372-T375 PolarHBondContact O-N 2.74Å; T375-R377 VanDerWaalsContact O-CD 3.3Å; T375-R377 WeakPolarHBondContact O-CD 3.29Å; T375-R377 WeakPolarHBondContact O-CG 3.33Å; T375-R377 PolarHBondContact O-N 2.65Å; T375-L393 HydrophobicContact CG2-CD1 3.91Å; T375-S414 PolarHBondContact OG1-OG 3.1Å
376D91.3Very high89.4Confident19 Ų1964 Ų6410%0.10234%0.34CS..SBendtrans39.836.7168-61.2-34.3000117.1N378 N379 F382 S418 K494 R495 F499D376-N378 PolarHBondContact O-N 2.82Å; D376-N378 PolarHBondContact O-OD1 3.5Å; D376-N379 HydrophobicContact CB-CB 4.37Å; D376-N379 WeakPolarHBondContact O-CB 3.39Å; D376-N379 PolarHBondContact O-N 3.27Å; D376-F382 HydrophobicContact CB-CD2 3.87Å; D376-F382 HydrophobicContact CB-CE2 4.43Å; D376-S418 WeakPolarHBondContact OD2-CB 3.41Å; D376-S418 PolarHBondContact OD2-OG 3.19Å; D376-K494 IonicContact OD1-NZ 2.74Å; D376-K494 PolarHBondContact OD1-NZ 3.02Å; D376-K494 WeakPolarHBondContact OD2-CE 3.45Å; D376-K494 IonicContact OD2-NZ 3.83Å; D376-K494 PolarHBondContact OD2-NZ 3.46Å; D376-R495 IonicContact OD1-NH1 3.23Å; D376-F499 HydrophobicContact CB-CE2 4.43Å
377R92Very high89.5Confident91 Ų9161.9 Ų61.934%0.34332%0.323SS..THydrogen-bonded Turntrans-64.5-8.2-175-56-60.3-61.7-74.62.2114.6N373 T375 F382 G384N373-R377 PolarHBondContact O-NH1 2.97Å; T375-R377 VanDerWaalsContact O-CD 3.3Å; T375-R377 WeakPolarHBondContact O-CD 3.29Å; T375-R377 WeakPolarHBondContact O-CG 3.33Å; T375-R377 PolarHBondContact O-N 2.65Å; R377-F382 PolarHBondContact NE-O 3.04Å; R377-G384 PolarHBondContact NH2-O 3.1Å
378N89.7Confident90Very high149 Ų14964.1 Ų64.180%0.79734%0.34SS*.THydrogen-bonded Turntrans-85.7-19.3170.961.1-24.3000113.6D376D376-N378 PolarHBondContact O-N 2.82Å; D376-N378 PolarHBondContact O-OD1 3.5Å
379N90.1Very high90.1Very high19 Ų1964.3 Ų64.310%0.10234%0.343CS..SBendtrans-75.7132.9169-177.8-36.2000108.9D376 F381 F382 S383 F499D376-N379 HydrophobicContact CB-CB 4.37Å; D376-N379 WeakPolarHBondContact O-CB 3.39Å; D376-N379 PolarHBondContact O-N 3.27Å; N379-F381 PolarHBondContact O-N 2.9Å; N379-F381 VanDerWaalsContact O-N 3.15Å; N379-F381 WeakPolarHBondContact OD1-CB 3.06Å; N379-F381 PolarHBondContact OD1-N 3.36Å; N379-F382 HydrophobicContact CB-CD2 4.27Å; N379-F382 PolarHBondContact O-N 2.86Å; N379-F382 VanDerWaalsContact O-N 3.07Å; N379-S383 WeakPolarHBondContact O-CB 3.41Å; N379-S383 PolarHBondContact O-N 2.9Å; N379-F499 HydrophobicContact CB-CD2 4.49Å; N379-F499 WeakPolarHBondContact ND2-CD1 3.37Å; N379-F499 WeakPolarHBondContact ND2-CD2 3.32Å; N379-F499 WeakPolarHBondContact ND2-CE1 3.34Å; N379-F499 VanDerWaalsContact ND2-CE2 3.32Å; N379-F499 WeakPolarHBondContact ND2-CE2 3.17Å; N379-F499 WeakPolarHBondContact ND2-CG 3.43Å; N379-F499 WeakPolarHBondContact ND2-CZ 3.33Å
380T90.8Very high90.2Very high118 Ų11861.2 Ų61.272%0.72433%0.328SS*.G310 helixtrans-54.7-35-178.449.10000113F382 S383T380-F382 VanDerWaalsContact C-N 3.31Å; T380-F382 PolarHBondContact O-N 3.09Å; T380-S383 WeakPolarHBondContact CA-OG 3.3Å; T380-S383 PolarHBondContact O-N 2.85Å; T380-S383 PolarHBondContact O-OG 3.46Å
381F91.8Very high90.5Very high47 Ų4759.6 Ų59.621%0.20633%0.331CS..G310 helixtrans-63.1-31.5179.5-172.4-87.3000113.5N379 N387 L421 F422 Q425N379-F381 PolarHBondContact O-N 2.9Å; N379-F381 VanDerWaalsContact O-N 3.15Å; N379-F381 WeakPolarHBondContact OD1-CB 3.06Å; N379-F381 PolarHBondContact OD1-N 3.36Å; F381-N387 PolarHBondContact O-ND2 3.34Å; F381-N387 PolarHBondContact O-OD1 3.43Å; F381-L421 HydrophobicContact CE1-CD2 4.29Å; F381-L421 HydrophobicContact CE1-CG 3.99Å; F381-L421 HydrophobicContact CZ-CG 4.24Å; F381-F422 HydrophobicContact CB-CD2 3.68Å; F381-F422 HydrophobicContact CB-CE2 4.08Å; F381-F422 HydrophobicContact CD2-CD2 4.14Å; F381-F422 AromaticContact CG-CD2 3.89Å; F381-F422 HydrophobicContact CG-CD2 3.89Å; F381-Q425 HydrophobicContact CE2-CG 3.95Å; F381-Q425 HydrophobicContact CZ-CG 4.45Å
382F92.8Very high90.9Very high0 Ų061.8 Ų61.80%034%0.343CS..G310 helixtrans-107.90.4179-57.9-66.6000113.6D376 R377 N379 T380 L390 L393 S418 L421D376-F382 HydrophobicContact CB-CD2 3.87Å; D376-F382 HydrophobicContact CB-CE2 4.43Å; R377-F382 PolarHBondContact NE-O 3.04Å; N379-F382 HydrophobicContact CB-CD2 4.27Å; N379-F382 PolarHBondContact O-N 2.86Å; N379-F382 VanDerWaalsContact O-N 3.07Å; T380-F382 VanDerWaalsContact C-N 3.31Å; T380-F382 PolarHBondContact O-N 3.09Å; F382-L390 HydrophobicContact CB-CD2 4.01Å; F382-L390 HydrophobicContact CD1-CD2 3.92Å; F382-L390 HydrophobicContact CG-CD2 4.35Å; F382-L393 HydrophobicContact CD1-CD1 3.92Å; F382-L393 HydrophobicContact CD1-CG 4.42Å; F382-L393 HydrophobicContact CE1-CD1 3.62Å; F382-L393 HydrophobicContact CE1-CD2 4.16Å; F382-L393 HydrophobicContact CE1-CG 3.75Å; F382-L393 HydrophobicContact CZ-CD1 4.29Å; F382-L393 HydrophobicContact CZ-CD2 4.38Å; F382-L393 HydrophobicContact CZ-CG 4.43Å; F382-S418 WeakPolarHBondContact CE2-OG 3Å; F382-L421 HydrophobicContact CE1-CD2 4.07Å; F382-L421 HydrophobicContact CZ-CD2 4.45Å
383S89.3Confident91.1Very high50 Ų5061.4 Ų61.435%0.3534%0.341SS..  trans-77160.9-178.775.80000113.2N379 T380 N387N379-S383 WeakPolarHBondContact O-CB 3.41Å; N379-S383 PolarHBondContact O-N 2.9Å; T380-S383 WeakPolarHBondContact CA-OG 3.3Å; T380-S383 PolarHBondContact O-N 2.85Å; T380-S383 PolarHBondContact O-OG 3.46Å; S383-N387 PolarHBondContact O-ND2 2.79Å
384G85.2Confident91.5Very high44 Ų4458 Ų5845%0.45432%0.322SS..SBendtrans84.7175.6-179.900000114.4R377R377-G384 PolarHBondContact NH2-O 3.1Å
385N83.1Confident91.9Very high144 Ų14454.5 Ų54.577%0.7731%0.309SS*.SBendtrans-86.6154.6175.1-62.9-7.9000110N387N385-N387 PolarHBondContact O-N 2.95Å
386D85.5Confident92.3Very high159 Ų15954.4 Ų54.485%0.8531%0.309SS*.SBendtrans49.735.3176.2-49.9-38.7000113.6P388D386-P388 WeakPolarHBondContact O-CD 3.3Å
387N91Very high92.7Very high18 Ų1853.6 Ų53.610%0.09630%0.304CS..  trans-68.5123.1-172.1174.6-74000111.3F381 S383 N385 G389 L390 T391F381-N387 PolarHBondContact O-ND2 3.34Å; F381-N387 PolarHBondContact O-OD1 3.43Å; S383-N387 PolarHBondContact O-ND2 2.79Å; N385-N387 PolarHBondContact O-N 2.95Å; N387-G389 VanDerWaalsContact C-N 3.28Å; N387-G389 PolarHBondContact O-N 3.46Å; N387-G389 WeakPolarHBondContact OD1-CA 3.5Å; N387-G389 PolarHBondContact OD1-N 3.13Å; N387-L390 HydrophobicContact CB-CB 4.48Å; N387-L390 HydrophobicContact CB-CD1 4Å; N387-L390 HydrophobicContact CB-CG 3.98Å; N387-L390 WeakPolarHBondContact O-CB 3.48Å; N387-L390 PolarHBondContact O-N 3.19Å; N387-L390 VanDerWaalsContact O-N 3.07Å; N387-L390 PolarHBondContact OD1-N 3.12Å; N387-T391 PolarHBondContact O-N 2.95Å
388P92.5Very high93Very high92 Ų9249.2 Ų49.260%0.59729%0.288SS*.Hα-helixtrans-62.7-28.6-178.7-26.235.6000114.8D386 L390 T391 L392D386-P388 WeakPolarHBondContact O-CD 3.3Å; P388-L390 VanDerWaalsContact C-N 3.32Å; P388-T391 WeakPolarHBondContact O-CB 3.34Å; P388-T391 PolarHBondContact O-N 2.8Å; P388-L392 WeakPolarHBondContact O-CG 3.47Å; P388-L392 PolarHBondContact O-N 2.95Å
389G93.7Very high93.4Very high5 Ų542.1 Ų42.15%0.05225%0.25CC..Hα-helixtrans-63.5-36.5173.900000112.4N387 L392 L393 L421N387-G389 VanDerWaalsContact C-N 3.28Å; N387-G389 PolarHBondContact O-N 3.46Å; N387-G389 WeakPolarHBondContact OD1-CA 3.5Å; N387-G389 PolarHBondContact OD1-N 3.13Å; G389-L392 PolarHBondContact O-N 2.9Å; G389-L393 WeakPolarHBondContact O-CG 3.43Å; G389-L393 PolarHBondContact O-N 3.48Å; G389-L421 WeakPolarHBondContact O-CD2 3.34Å
390L94.5Very high93.9Very high18 Ų1841.5 Ų41.59%0.09425%0.246CC..Hα-helixtrans-67.5-39.8172.2-60.6-179.1000111.7V372 F382 N387 P388 L392 L393 H394V372-L390 HydrophobicContact CG1-CB 3.82Å; V372-L390 HydrophobicContact CG1-CD2 4.08Å; V372-L390 HydrophobicContact CG1-CG 4.5Å; V372-L390 VanDerWaalsContact CG1-O 3.27Å; V372-L390 WeakPolarHBondContact CG1-O 3.21Å; V372-L390 WeakPolarHBondContact O-CD2 3.39Å; F382-L390 HydrophobicContact CB-CD2 4.01Å; F382-L390 HydrophobicContact CD1-CD2 3.92Å; F382-L390 HydrophobicContact CG-CD2 4.35Å; N387-L390 HydrophobicContact CB-CB 4.48Å; N387-L390 HydrophobicContact CB-CD1 4Å; N387-L390 HydrophobicContact CB-CG 3.98Å; N387-L390 WeakPolarHBondContact O-CB 3.48Å; N387-L390 PolarHBondContact O-N 3.19Å; N387-L390 VanDerWaalsContact O-N 3.07Å; N387-L390 PolarHBondContact OD1-N 3.12Å; P388-L390 VanDerWaalsContact C-N 3.32Å; L390-L392 VanDerWaalsContact C-N 3.3Å; L390-L392 PolarHBondContact O-N 3.13Å; L390-L393 HydrophobicContact CD2-CD1 4.1Å; L390-L393 PolarHBondContact O-N 2.98Å; L390-H394 PolarHBondContact O-N 2.95Å
391T95.6Very high94.2Very high80 Ų8035.9 Ų35.949%0.49121%0.212SC..Hα-helixtrans-61.7-39.1173.3-470000111.7N387 P388 H394 D395N387-T391 PolarHBondContact O-N 2.95Å; P388-T391 WeakPolarHBondContact O-CB 3.34Å; P388-T391 PolarHBondContact O-N 2.8Å; T391-H394 PolarHBondContact O-N 3.4Å; T391-D395 WeakPolarHBondContact O-CB 3.37Å; T391-D395 PolarHBondContact O-N 3.42Å
392L97.2Very high94.5Very high47 Ų4735.3 Ų35.325%0.24621%0.21CC..Hα-helixtrans-68.9-38.9175.7-71.2168.5000112.4P388 G389 L390 V396 L421 E427P388-L392 WeakPolarHBondContact O-CG 3.47Å; P388-L392 PolarHBondContact O-N 2.95Å; G389-L392 PolarHBondContact O-N 2.9Å; L390-L392 VanDerWaalsContact C-N 3.3Å; L390-L392 PolarHBondContact O-N 3.13Å; L392-V396 WeakPolarHBondContact O-CB 3.45Å; L392-V396 VanDerWaalsContact O-CG2 3.29Å; L392-V396 WeakPolarHBondContact O-CG2 3.45Å; L392-V396 PolarHBondContact O-N 2.96Å; L392-L421 HydrophobicContact CB-CD1 3.94Å; L392-L421 HydrophobicContact CB-CD2 3.76Å; L392-L421 HydrophobicContact CB-CG 4.49Å; L392-L421 HydrophobicContact CD1-CD1 4.26Å; L392-E427 HydrophobicContact CD2-CB 3.82Å; L392-E427 HydrophobicContact CD2-CG 3.68Å
393L97.3Very high94.8Very high0 Ų040.4 Ų40.40%023%0.23CC..Hα-helixtrans-57.3-51.6170.7-73.2178.5000110.9V372 T375 F382 G389 L390 L397 L417 L421V372-L393 HydrophobicContact CG1-CB 4.12Å; V372-L393 HydrophobicContact CG1-CD1 4.42Å; V372-L393 HydrophobicContact CG2-CB 3.82Å; T375-L393 HydrophobicContact CG2-CD1 3.91Å; F382-L393 HydrophobicContact CD1-CD1 3.92Å; F382-L393 HydrophobicContact CD1-CG 4.42Å; F382-L393 HydrophobicContact CE1-CD1 3.62Å; F382-L393 HydrophobicContact CE1-CD2 4.16Å; F382-L393 HydrophobicContact CE1-CG 3.75Å; F382-L393 HydrophobicContact CZ-CD1 4.29Å; F382-L393 HydrophobicContact CZ-CD2 4.38Å; F382-L393 HydrophobicContact CZ-CG 4.43Å; G389-L393 WeakPolarHBondContact O-CG 3.43Å; G389-L393 PolarHBondContact O-N 3.48Å; L390-L393 HydrophobicContact CD2-CD1 4.1Å; L390-L393 PolarHBondContact O-N 2.98Å; L393-L397 WeakPolarHBondContact O-CB 3.46Å; L393-L397 WeakPolarHBondContact O-CD1 3.24Å; L393-L397 WeakPolarHBondContact O-CG 3.39Å; L393-L397 PolarHBondContact O-N 3.25Å; L393-L417 HydrophobicContact CD2-CB 4.23Å; L393-L417 HydrophobicContact CD2-CD2 3.68Å; L393-L417 HydrophobicContact CD2-CG 3.69Å; L393-L421 HydrophobicContact CB-CD2 4.44Å; L393-L421 HydrophobicContact CD2-CB 4.44Å; L393-L421 HydrophobicContact CD2-CD2 3.59Å; L393-L421 HydrophobicContact CG-CD2 3.73Å
394H98.4Very high95.1Very high30 Ų3040.2 Ų40.214%0.13923%0.225CC..Hα-helixtrans-57.9-52.3179.5168.4-85.1000111.7W347 I368 V372 L390 T391 V396 L397 M398W347-H394 AromaticContact CH2-CE1 3.52Å; W347-H394 AromaticContact CH2-ND1 3.89Å; W347-H394 AromaticContact CZ3-CE1 3.75Å; I368-H394 HydrophobicContact CG2-CB 4.42Å; V372-H394 HydrophobicContact CG2-CB 4.41Å; L390-H394 PolarHBondContact O-N 2.95Å; T391-H394 PolarHBondContact O-N 3.4Å; H394-V396 VanDerWaalsContact C-N 3.35Å; H394-V396 PolarHBondContact O-N 3.22Å; H394-L397 PolarHBondContact O-N 3.18Å; H394-M398 WeakPolarHBondContact O-CB 3.45Å; H394-M398 WeakPolarHBondContact O-CG 3.24Å; H394-M398 PolarHBondContact O-N 3.39Å
395D98.6Very high95.6Very high13 Ų1341.4 Ų41.47%0.0722%0.218CC..Hα-helixtrans-67.8-32.7-173.8-83.123.4000112.6Y340 K344 W347 K348 T391 T399Y340-D395 PolarHBondContact OH-O 3.18Å; K344-D395 WeakPolarHBondContact CE-OD2 3.44Å; K344-D395 IonicContact NZ-OD2 2.76Å; K344-D395 PolarHBondContact NZ-OD2 2.99Å; W347-D395 HydrophobicContact CH2-CB 4.46Å; W347-D395 VanDerWaalsContact CH2-OD1 3.28Å; W347-D395 WeakPolarHBondContact CH2-OD1 3.31Å; W347-D395 HydrophobicContact CZ2-CB 4.02Å; K348-D395 WeakPolarHBondContact CE-OD2 3.5Å; K348-D395 VanDerWaalsContact NZ-CG 3.34Å; K348-D395 IonicContact NZ-OD1 3.99Å; K348-D395 PolarHBondContact NZ-OD1 3.29Å; K348-D395 VanDerWaalsContact NZ-OD1 3.17Å; K348-D395 IonicContact NZ-OD2 2.92Å; K348-D395 PolarHBondContact NZ-OD2 2.92Å; T391-D395 WeakPolarHBondContact O-CB 3.37Å; T391-D395 PolarHBondContact O-N 3.42Å; D395-T399 WeakPolarHBondContact O-CB 3.34Å; D395-T399 PolarHBondContact O-N 2.99Å; D395-T399 VanDerWaalsContact O-N 3.13Å; D395-T399 PolarHBondContact O-OG1 3.25Å
396V98.9Very high95.9Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-70.9-44.9173.6170.40000111.6L392 H394 T399 Y400 L417 E427 F431 L434L392-V396 WeakPolarHBondContact O-CB 3.45Å; L392-V396 VanDerWaalsContact O-CG2 3.29Å; L392-V396 WeakPolarHBondContact O-CG2 3.45Å; L392-V396 PolarHBondContact O-N 2.96Å; H394-V396 VanDerWaalsContact C-N 3.35Å; H394-V396 PolarHBondContact O-N 3.22Å; V396-T399 CarbonylContact O-C 3.56Å; V396-T399 PolarHBondContact O-N 2.9Å; V396-Y400 PolarHBondContact O-N 3.4Å; V396-L417 HydrophobicContact CB-CD2 3.85Å; V396-L417 HydrophobicContact CG1-CD1 3.84Å; V396-L417 HydrophobicContact CG1-CD2 3.65Å; V396-L417 HydrophobicContact CG1-CG 4.43Å; V396-E427 HydrophobicContact CG2-CG 3.58Å; V396-F431 HydrophobicContact CG1-CB 4.01Å; V396-F431 HydrophobicContact CG1-CD2 4.23Å; V396-L434 HydrophobicContact CG1-CD2 4.23Å
397L98.7Very high96Very high1 Ų135.4 Ų35.41%0.00519%0.186CC..Hα-helixtrans-66.1-41.4179.4-67.8167.9000112I368 V372 L393 H394 T399 Y400 C401 Y409 M413 L417 L434I368-L397 HydrophobicContact CD1-CB 3.81Å; I368-L397 HydrophobicContact CG1-CB 3.97Å; I368-L397 HydrophobicContact CG2-CB 4.02Å; I368-L397 HydrophobicContact CG2-CD1 4.09Å; V372-L397 HydrophobicContact CG2-CD1 3.99Å; L393-L397 WeakPolarHBondContact O-CB 3.46Å; L393-L397 WeakPolarHBondContact O-CD1 3.24Å; L393-L397 WeakPolarHBondContact O-CG 3.39Å; L393-L397 PolarHBondContact O-N 3.25Å; H394-L397 PolarHBondContact O-N 3.18Å; L397-T399 VanDerWaalsContact C-N 3.25Å; L397-T399 PolarHBondContact O-N 3.07Å; L397-Y400 WeakPolarHBondContact O-CB 3.37Å; L397-Y400 PolarHBondContact O-N 3.24Å; L397-Y400 VanDerWaalsContact O-N 3.16Å; L397-C401 PolarHBondContact O-N 3.4Å; L397-C401 VanDerWaalsContact O-N 3.09Å; L397-C401 PolarHBondContact O-SG 2.93Å; L397-Y409 HydrophobicContact CB-CD2 4.33Å; L397-Y409 HydrophobicContact CD1-CD2 4.37Å; L397-Y409 HydrophobicContact CD1-CE2 3.81Å; L397-Y409 HydrophobicContact CD2-CD2 4.03Å; L397-Y409 HydrophobicContact CD2-CE2 3.9Å; L397-Y409 HydrophobicContact CG-CD2 4.46Å; L397-Y409 HydrophobicContact CG-CE2 4.3Å; L397-M413 HydrophobicContact CD2-CB 4.33Å; L397-L417 HydrophobicContact CD1-CD2 4.33Å; L397-L417 HydrophobicContact CD2-CB 4.44Å; L397-L417 HydrophobicContact CD2-CD2 3.9Å; L397-L417 HydrophobicContact CG-CD2 3.71Å; L397-L434 HydrophobicContact CD2-CD2 4.21Å
398M98.7Very high96.2Very high0 Ų034.6 Ų34.60%018%0.181CC..Hα-helixtrans-63.8-32.1173.1-75.1-64.1-6500112.1W347 L361 R365 I368 H394 C401W347-M398 HydrophobicContact CB-CE 4.28Å; W347-M398 HydrophobicContact CD2-CB 3.62Å; W347-M398 HydrophobicContact CD2-CE 4.1Å; W347-M398 HydrophobicContact CD2-CG 4.42Å; W347-M398 VanDerWaalsContact CE2-CB 3.41Å; W347-M398 HydrophobicContact CE3-CB 4.01Å; W347-M398 HydrophobicContact CE3-CE 3.76Å; W347-M398 HydrophobicContact CE3-CG 4.32Å; W347-M398 HydrophobicContact CG-CB 4.09Å; W347-M398 HydrophobicContact CG-CE 4.35Å; W347-M398 HydrophobicContact CH2-CB 3.97Å; W347-M398 HydrophobicContact CH2-CG 4.27Å; W347-M398 HydrophobicContact CZ2-CB 3.62Å; W347-M398 HydrophobicContact CZ2-CG 4.4Å; W347-M398 HydrophobicContact CZ3-CB 4.17Å; W347-M398 HydrophobicContact CZ3-CE 4.36Å; W347-M398 HydrophobicContact CZ3-CG 4.24Å; L361-M398 HydrophobicContact CD1-CE 3.84Å; R365-M398 HydrophobicContact CB-CE 4.05Å; R365-M398 HydrophobicContact CB-SD 3.83Å; R365-M398 HydrophobicContact CG-CE 4.23Å; R365-M398 HydrophobicContact CG-SD 4.03Å; I368-M398 HydrophobicContact CD1-CG 3.96Å; I368-M398 HydrophobicContact CD1-SD 3.55Å; I368-M398 VanDerWaalsContact CD1-SD 3.55Å; H394-M398 WeakPolarHBondContact O-CB 3.45Å; H394-M398 WeakPolarHBondContact O-CG 3.24Å; H394-M398 PolarHBondContact O-N 3.39Å; M398-C401 WeakPolarHBondContact O-CB 3.4Å; M398-C401 PolarHBondContact O-N 3.49Å
399T98.9Very high96.2Very high0 Ų030.4 Ų30.40%015%0.153CC..Hα-helixtrans-75-31.8173.7-52.10000112.1Y340 M343 K344 W347 D395 V396 L397 C401 M402 Y403 F431Y340-T399 HydrophobicContact CD2-CG2 3.77Å; Y340-T399 HydrophobicContact CE2-CG2 3.38Å; Y340-T399 PolarHBondContact OH-OG1 3.33Å; M343-T399 HydrophobicContact CB-CG2 3.66Å; K344-T399 HydrophobicContact CB-CG2 4.07Å; K344-T399 WeakPolarHBondContact CB-OG1 3.29Å; W347-T399 PolarHBondContact NE1-OG1 2.94Å; D395-T399 WeakPolarHBondContact O-CB 3.34Å; D395-T399 PolarHBondContact O-N 2.99Å; D395-T399 VanDerWaalsContact O-N 3.13Å; D395-T399 PolarHBondContact O-OG1 3.25Å; V396-T399 CarbonylContact O-C 3.56Å; V396-T399 PolarHBondContact O-N 2.9Å; L397-T399 VanDerWaalsContact C-N 3.25Å; L397-T399 PolarHBondContact O-N 3.07Å; T399-C401 VanDerWaalsContact C-N 3.3Å; T399-C401 PolarHBondContact O-N 3.15Å; T399-M402 PolarHBondContact O-N 3.45Å; T399-Y403 PolarHBondContact O-N 3.5Å; T399-F431 HydrophobicContact CG2-CD2 4.27Å; T399-F431 HydrophobicContact CG2-CE2 3.98Å
400Y98.8Very high95.8Very high6 Ų632.3 Ų32.32%0.02416%0.164CC..Hα-helixtrans-62.3-37.6171.3-172.1-84.6000111.7V396 L397 M402 Y403 N404 L407 G408 M413 L434 T435 M438V396-Y400 PolarHBondContact O-N 3.4Å; L397-Y400 WeakPolarHBondContact O-CB 3.37Å; L397-Y400 PolarHBondContact O-N 3.24Å; L397-Y400 VanDerWaalsContact O-N 3.16Å; Y400-M402 PolarHBondContact O-N 2.99Å; Y400-Y403 HydrophobicContact CD2-CD1 4.26Å; Y400-Y403 HydrophobicContact CE2-CD1 4.03Å; Y400-Y403 HydrophobicContact CE2-CE1 4.46Å; Y400-Y403 WeakPolarHBondContact O-CB 3.49Å; Y400-Y403 PolarHBondContact O-N 3.09Å; Y400-N404 HydrophobicContact CE1-CB 4.17Å; Y400-N404 PolarHBondContact O-N 3.16Å; Y400-L407 HydrophobicContact CE1-CD2 4.35Å; Y400-G408 WeakPolarHBondContact CD1-O 3.24Å; Y400-M413 HydrophobicContact CD1-CE 3.49Å; Y400-M413 VanDerWaalsContact CD1-CE 3.49Å; Y400-M413 HydrophobicContact CE1-CE 3.51Å; Y400-M413 HydrophobicContact CG-CE 4.28Å; Y400-L434 HydrophobicContact CD2-CD2 4.22Å; Y400-T435 HydrophobicContact CD2-CG2 4.13Å; Y400-T435 HydrophobicContact CE2-CG2 4.07Å; Y400-M438 HydrophobicContact CE1-CE 4.4Å; Y400-M438 HydrophobicContact CE2-CB 4.1Å; Y400-M438 HydrophobicContact CE2-CG 3.84Å; Y400-M438 WeakPolarHBondContact OH-CB 3.45Å
401C98Very high95.1Very high0 Ų031.7 Ų31.70%016%0.161CC..Hα-helixtrans-60.2-25.3172.6-59.90000113.5Y364 L397 M398 T399 F405 G408Y364-C401 HydrophobicContact CD2-CB 4.39Å; L397-C401 PolarHBondContact O-N 3.4Å; L397-C401 VanDerWaalsContact O-N 3.09Å; L397-C401 PolarHBondContact O-SG 2.93Å; M398-C401 WeakPolarHBondContact O-CB 3.4Å; M398-C401 PolarHBondContact O-N 3.49Å; T399-C401 VanDerWaalsContact C-N 3.3Å; T399-C401 PolarHBondContact O-N 3.15Å; C401-F405 VanDerWaalsContact O-CA 3.23Å; C401-F405 WeakPolarHBondContact O-CA 3.16Å; C401-F405 WeakPolarHBondContact O-CB 3.29Å; C401-F405 WeakPolarHBondContact O-CD2 3.4Å; C401-F405 PolarHBondContact O-N 3.39Å; C401-G408 VanDerWaalsContact SG-C 3.53Å
402M98.3Very high94.6Very high35 Ų3527.9 Ų27.917%0.17214%0.138CC..Hα-helixtrans-86.2-18.3174.2-59.8-65.396.100113M343 Q346 W347 L361 T399 Y400 F405M343-M402 HydrophobicContact CB-CB 4.27Å; Q346-M402 HydrophobicContact CB-CG 4.15Å; Q346-M402 HydrophobicContact CB-SD 3.85Å; W347-M402 HydrophobicContact CB-CE 4.2Å; W347-M402 HydrophobicContact CB-CG 3.84Å; W347-M402 HydrophobicContact CB-SD 3.83Å; W347-M402 HydrophobicContact CG-CG 4.2Å; L361-M402 HydrophobicContact CD1-CE 3.7Å; L361-M402 HydrophobicContact CD2-CE 4.44Å; T399-M402 PolarHBondContact O-N 3.45Å; Y400-M402 PolarHBondContact O-N 2.99Å; M402-F405 HydrophobicContact CE-CD2 3.82Å; M402-F405 HydrophobicContact CE-CE2 3.98Å
403Y98.4Very high94.4Very high106 Ų10625.7 Ų25.742%0.41613%0.126SC..Hα-helixtrans-85.3-40.9177174.2-104.6000111.9M343 T399 Y400 F431 W432 T435M343-Y403 HydrophobicContact CE-CD2 4.2Å; M343-Y403 HydrophobicContact SD-CD2 3.84Å; M343-Y403 HydrophobicContact SD-CG 4.35Å; T399-Y403 PolarHBondContact O-N 3.5Å; Y400-Y403 HydrophobicContact CD2-CD1 4.26Å; Y400-Y403 HydrophobicContact CE2-CD1 4.03Å; Y400-Y403 HydrophobicContact CE2-CE1 4.46Å; Y400-Y403 WeakPolarHBondContact O-CB 3.49Å; Y400-Y403 PolarHBondContact O-N 3.09Å; Y403-F431 HydrophobicContact CD1-CZ 4.44Å; Y403-F431 HydrophobicContact CD2-CZ 4.24Å; Y403-F431 AromaticContact CG-CZ 3.91Å; Y403-F431 HydrophobicContact CG-CZ 3.91Å; Y403-W432 HydrophobicContact CE2-CH2 4.25Å; Y403-W432 HydrophobicContact CE2-CZ3 4.07Å; Y403-T435 HydrophobicContact CD1-CG2 3.75Å; Y403-T435 HydrophobicContact CE1-CG2 3.53Å; Y403-T435 HydrophobicContact CG-CG2 4.41Å
404N96.3Very high94.2Very high47 Ų4725.7 Ų25.725%0.25113%0.126SC..  trans-133.894.3171.5-177.8-12.2000108.6Y400 D406 L407 G408Y400-N404 HydrophobicContact CE1-CB 4.17Å; Y400-N404 PolarHBondContact O-N 3.16Å; N404-D406 PolarHBondContact OD1-N 2.86Å; N404-L407 WeakPolarHBondContact ND2-CB 3.04Å; N404-L407 WeakPolarHBondContact OD1-CB 3.25Å; N404-L407 PolarHBondContact OD1-N 3.17Å; N404-G408 WeakPolarHBondContact O-CA 3.5Å; N404-G408 PolarHBondContact O-N 3.29Å
405F94.7Very high94.1Very high69 Ų6924.3 Ų24.330%0.30312%0.12SC..THydrogen-bonded Turntrans-79.5-25.3-176.8-167.2-92.6000113.3L360 L361 Y364 C401 M402L360-F405 HydrophobicContact CB-CE1 4.17Å; L360-F405 HydrophobicContact CB-CZ 4.01Å; L360-F405 HydrophobicContact CD1-CE1 4.03Å; L361-F405 HydrophobicContact CB-CE2 4.23Å; L361-F405 HydrophobicContact CB-CZ 4.41Å; Y364-F405 HydrophobicContact CE2-CD2 4.48Å; Y364-F405 HydrophobicContact CE2-CE2 4.27Å; Y364-F405 HydrophobicContact CE2-CZ 4.31Å; Y364-F405 PolarHBondContact OH-O 2.54Å; C401-F405 VanDerWaalsContact O-CA 3.23Å; C401-F405 WeakPolarHBondContact O-CA 3.16Å; C401-F405 WeakPolarHBondContact O-CB 3.29Å; C401-F405 WeakPolarHBondContact O-CD2 3.4Å; C401-F405 PolarHBondContact O-N 3.39Å; M402-F405 HydrophobicContact CE-CD2 3.82Å; M402-F405 HydrophobicContact CE-CE2 3.98Å
406D89.4Confident94Very high157 Ų15723.7 Ų23.784%0.8412%0.117SC*.THydrogen-bonded Turntrans-70.7-37.3179.5-61.4-35.1000111.3N404N404-D406 PolarHBondContact OD1-N 2.86Å
407L88.6Confident94Very high20 Ų2023.7 Ų23.711%0.10512%0.117CC..THydrogen-bonded Turntrans-83.9-40.7168.5-173.863.6000112.2Y400 N404 Y409 V410 M438 H442 F445Y400-L407 HydrophobicContact CE1-CD2 4.35Å; N404-L407 WeakPolarHBondContact ND2-CB 3.04Å; N404-L407 WeakPolarHBondContact OD1-CB 3.25Å; N404-L407 PolarHBondContact OD1-N 3.17Å; L407-Y409 PolarHBondContact O-N 3.13Å; L407-V410 HydrophobicContact CD1-CG2 4.06Å; L407-M438 HydrophobicContact CD2-CE 3.66Å; L407-H442 HydrophobicContact CD2-CB 4.07Å; L407-F445 HydrophobicContact CD1-CB 3.91Å
408G93.9Very high94Very high0 Ų023.7 Ų23.70%012%0.116CC..  trans59.2-113.3179.600000113.5Y400 C401 N404Y400-G408 WeakPolarHBondContact CD1-O 3.24Å; C401-G408 VanDerWaalsContact SG-C 3.53Å; N404-G408 WeakPolarHBondContact O-CA 3.5Å; N404-G408 PolarHBondContact O-N 3.29Å
409Y92.8Very high94Very high4 Ų423.7 Ų23.72%0.01612%0.116CC..  trans-130129.5172.6178.3-90.2000111.5L367 I368 D371 L397 L407 M413 S414L367-Y409 HydrophobicContact CB-CD1 3.61Å; L367-Y409 HydrophobicContact CB-CE1 3.86Å; I368-Y409 HydrophobicContact CD1-CD2 4.1Å; I368-Y409 HydrophobicContact CD1-CG 3.98Å; I368-Y409 HydrophobicContact CG1-CD1 3.77Å; I368-Y409 HydrophobicContact CG1-CD2 3.45Å; I368-Y409 VanDerWaalsContact CG1-CD2 3.45Å; I368-Y409 HydrophobicContact CG1-CE1 4.23Å; I368-Y409 HydrophobicContact CG1-CE2 3.93Å; I368-Y409 HydrophobicContact CG1-CG 3.36Å; D371-Y409 WeakPolarHBondContact CB-OH 3.38Å; D371-Y409 PolarHBondContact OD2-OH 2.91Å; D371-Y409 VanDerWaalsContact OD2-OH 3.08Å; L397-Y409 HydrophobicContact CB-CD2 4.33Å; L397-Y409 HydrophobicContact CD1-CD2 4.37Å; L397-Y409 HydrophobicContact CD1-CE2 3.81Å; L397-Y409 HydrophobicContact CD2-CD2 4.03Å; L397-Y409 HydrophobicContact CD2-CE2 3.9Å; L397-Y409 HydrophobicContact CG-CD2 4.46Å; L397-Y409 HydrophobicContact CG-CE2 4.3Å; L407-Y409 PolarHBondContact O-N 3.13Å; Y409-M413 HydrophobicContact CD2-CB 3.98Å; Y409-M413 HydrophobicContact CD2-CE 4.46Å; Y409-M413 HydrophobicContact CD2-SD 4.4Å; Y409-M413 HydrophobicContact CE2-CB 3.65Å; Y409-S414 PolarHBondContact OH-OG 2.95Å
410V86.1Confident94Very high46 Ų4623.7 Ų23.728%0.27912%0.116SC..  trans-123.1144.6175.7-175.60000109.2L407 G412 M413 F445L407-V410 HydrophobicContact CD1-CG2 4.06Å; V410-G412 PolarHBondContact O-N 3.28Å; V410-M413 HydrophobicContact CB-SD 4.13Å; V410-M413 PolarHBondContact N-SD 3.41Å; V410-M413 WeakPolarHBondContact O-CB 3.46Å; V410-M413 WeakPolarHBondContact O-CG 3.45Å; V410-M413 PolarHBondContact O-N 3.43Å; V410-M413 VanDerWaalsContact O-N 3.15Å; V410-F445 HydrophobicContact CB-CB 4.02Å; V410-F445 HydrophobicContact CB-CD1 3.87Å; V410-F445 HydrophobicContact CB-CG 4.39Å; V410-F445 HydrophobicContact CG1-CB 4.21Å; V410-F445 HydrophobicContact CG1-CD1 3.84Å; V410-F445 HydrophobicContact CG2-CB 4.23Å
411Q79.4Confident94Very high4 Ų423.4 Ų23.42%0.01912%0.115CC..THydrogen-bonded Turntrans-64.2131.9-167-152.3-176.7-78.700112.4D209 D371 R374D209-Q411 VanDerWaalsContact CG-NE2 3.31Å; D209-Q411 PolarHBondContact OD1-NE2 3.31Å; D209-Q411 PolarHBondContact OD2-OE1 2.68Å; D371-Q411 VanDerWaalsContact CG-CG 3.49Å; D371-Q411 WeakPolarHBondContact OD1-CG 3.35Å; D371-Q411 WeakPolarHBondContact OD2-CG 3.31Å; R374-Q411 VanDerWaalsContact NH2-NE2 3.16Å
412G84.4Confident94Very high1 Ų125.5 Ų25.51%0.0113%0.125CC..THydrogen-bonded Turntrans100-12.2-171.600000114.8D371 V410 S414 D415 L416D371-G412 PolarHBondContact OD2-N 3.01Å; V410-G412 PolarHBondContact O-N 3.28Å; G412-S414 PolarHBondContact O-N 3.36Å; G412-D415 WeakPolarHBondContact O-CB 3.33Å; G412-D415 PolarHBondContact O-N 3.11Å; G412-L416 PolarHBondContact O-N 2.85Å
413M93.4Very high94Very high1 Ų124.6 Ų24.61%0.00512%0.121CC..Hα-helixtrans-63.7-23.9171.5-73.2169.159.300113L397 Y400 Y409 V410 D415 L416 L417 M438 F445L397-M413 HydrophobicContact CD2-CB 4.33Å; Y400-M413 HydrophobicContact CD1-CE 3.49Å; Y400-M413 VanDerWaalsContact CD1-CE 3.49Å; Y400-M413 HydrophobicContact CE1-CE 3.51Å; Y400-M413 HydrophobicContact CG-CE 4.28Å; Y409-M413 HydrophobicContact CD2-CB 3.98Å; Y409-M413 HydrophobicContact CD2-CE 4.46Å; Y409-M413 HydrophobicContact CD2-SD 4.4Å; Y409-M413 HydrophobicContact CE2-CB 3.65Å; V410-M413 HydrophobicContact CB-SD 4.13Å; V410-M413 PolarHBondContact N-SD 3.41Å; V410-M413 WeakPolarHBondContact O-CB 3.46Å; V410-M413 WeakPolarHBondContact O-CG 3.45Å; V410-M413 PolarHBondContact O-N 3.43Å; V410-M413 VanDerWaalsContact O-N 3.15Å; M413-D415 VanDerWaalsContact C-N 3.3Å; M413-L416 PolarHBondContact O-N 2.89Å; M413-L417 PolarHBondContact O-N 3.19Å; M413-L417 VanDerWaalsContact O-N 3.12Å; M413-M438 HydrophobicContact CE-CE 3.88Å; M413-M438 HydrophobicContact CE-SD 4.44Å; M413-M438 HydrophobicContact CG-CE 4.22Å; M413-M438 HydrophobicContact CG-SD 4.35Å; M413-M438 HydrophobicContact SD-CE 4.01Å; M413-F445 HydrophobicContact CG-CD1 4.02Å; M413-F445 HydrophobicContact CG-CE1 3.94Å; M413-F445 HydrophobicContact CG-CG 4.39Å; M413-F445 HydrophobicContact CG-CZ 4.27Å
414S94.6Very high93.9Very high0 Ų019.6 Ų19.60%010%0.101CC..Hα-helixtrans-68.6-29.9171.259.70000112.7T375 Y409 G412 L417 S418T375-S414 PolarHBondContact OG1-OG 3.1Å; Y409-S414 PolarHBondContact OH-OG 2.95Å; G412-S414 PolarHBondContact O-N 3.36Å; S414-L417 PolarHBondContact O-N 3.3Å; S414-S418 WeakPolarHBondContact O-CB 3.45Å; S414-S418 PolarHBondContact O-N 2.84Å
415D94.9Very high93.9Very high1 Ų123.3 Ų23.31%0.00512%0.117CC..Hα-helixtrans-72.2-34176-78.1-44.8000111.7Y211 G412 M413 P419 I491 K494 R495Y211-D415 WeakPolarHBondContact CE2-OD2 3.19Å; G412-D415 WeakPolarHBondContact O-CB 3.33Å; G412-D415 PolarHBondContact O-N 3.11Å; M413-D415 VanDerWaalsContact C-N 3.3Å; D415-P419 WeakPolarHBondContact O-CD 3.42Å; D415-I491 HydrophobicContact CB-CG2 4.5Å; D415-K494 HydrophobicContact CB-CG 3.87Å; D415-K494 WeakPolarHBondContact O-CG 3.46Å; D415-K494 IonicContact OD1-NZ 3.93Å; D415-R495 IonicContact OD1-CZ 2.67Å; D415-R495 IonicContact OD1-NH1 3.44Å; D415-R495 PolarHBondContact OD1-NH1 3.08Å; D415-R495 IonicContact OD1-NH2 2.68Å; D415-R495 PolarHBondContact OD1-NH2 3.37Å; D415-R495 IonicContact OD2-CZ 4Å; D415-R495 VanDerWaalsContact OD2-CZ 3.31Å; D415-R495 IonicContact OD2-NH1 2.72Å; D415-R495 PolarHBondContact OD2-NH1 2.68Å; D415-R495 IonicContact OD2-NH2 3.58Å; D415-R495 PolarHBondContact OD2-NH2 3.45Å
416L97.9Very high94Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-65.4-44.4170.4-59.6-172000111.9G412 M413 L434 F437 M438 V441 F445 I491 W506G412-L416 PolarHBondContact O-N 2.85Å; M413-L416 PolarHBondContact O-N 2.89Å; L416-L434 HydrophobicContact CB-CD1 4.31Å; L416-F437 HydrophobicContact CB-CD1 4.16Å; L416-F437 HydrophobicContact CB-CE1 4.03Å; L416-F437 HydrophobicContact CD2-CE1 3.74Å; L416-F437 HydrophobicContact CD2-CZ 3.91Å; L416-F437 HydrophobicContact CG-CE1 4.32Å; L416-M438 HydrophobicContact CD1-SD 3.91Å; L416-V441 HydrophobicContact CD1-CG2 3.8Å; L416-F445 HydrophobicContact CD1-CE2 3.75Å; L416-F445 HydrophobicContact CD1-CZ 3.7Å; L416-F445 HydrophobicContact CG-CZ 4.42Å; L416-I491 HydrophobicContact CD2-CB 4.31Å; L416-W506 HydrophobicContact CD2-CH2 4.34Å; L416-W506 HydrophobicContact CD2-CZ2 4.11Å; L416-W506 WeakPolarHBondContact O-CZ3 3.42Å
417L98.7Very high94.4Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-71.1-35.4-178.8177.161.2000113.4L393 V396 L397 M413 S414 I420 L421 L434L393-L417 HydrophobicContact CD2-CB 4.23Å; L393-L417 HydrophobicContact CD2-CD2 3.68Å; L393-L417 HydrophobicContact CD2-CG 3.69Å; V396-L417 HydrophobicContact CB-CD2 3.85Å; V396-L417 HydrophobicContact CG1-CD1 3.84Å; V396-L417 HydrophobicContact CG1-CD2 3.65Å; V396-L417 HydrophobicContact CG1-CG 4.43Å; L397-L417 HydrophobicContact CD1-CD2 4.33Å; L397-L417 HydrophobicContact CD2-CB 4.44Å; L397-L417 HydrophobicContact CD2-CD2 3.9Å; L397-L417 HydrophobicContact CG-CD2 3.71Å; M413-L417 PolarHBondContact O-N 3.19Å; M413-L417 VanDerWaalsContact O-N 3.12Å; S414-L417 PolarHBondContact O-N 3.3Å; L417-I420 WeakPolarHBondContact O-CB 3.17Å; L417-I420 PolarHBondContact O-N 3.39Å; L417-I420 VanDerWaalsContact O-N 3.09Å; L417-L421 HydrophobicContact CD1-CB 4.37Å; L417-L421 HydrophobicContact CG-CB 4.48Å; L417-L421 PolarHBondContact O-N 2.77Å; L417-L434 HydrophobicContact CB-CD1 4.16Å; L417-L434 HydrophobicContact CB-CD2 4.3Å; L417-L434 HydrophobicContact CD1-CB 4.17Å; L417-L434 HydrophobicContact CD1-CD2 4.16Å; L417-L434 HydrophobicContact CD2-CD2 4.43Å
418S98.5Very high94.9Very high0 Ų016.3 Ų16.30%08%0.082CC..Hα-helixtrans-52-52-171.4157.30000114.3D376 F382 S414 I420 L421 F422D376-S418 WeakPolarHBondContact OD2-CB 3.41Å; D376-S418 PolarHBondContact OD2-OG 3.19Å; F382-S418 WeakPolarHBondContact CE2-OG 3Å; S414-S418 WeakPolarHBondContact O-CB 3.45Å; S414-S418 PolarHBondContact O-N 2.84Å; S418-I420 PolarHBondContact O-N 3.17Å; S418-L421 PolarHBondContact O-N 3.01Å; S418-F422 WeakPolarHBondContact O-CB 3.25Å; S418-F422 PolarHBondContact O-N 2.86Å
419P98.6Very high95.1Very high0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-68.8-32.5178.1-20.234.3000113.4D415 F422 V423 K494 F499 I502 L503 W506D415-P419 WeakPolarHBondContact O-CD 3.42Å; P419-F422 PolarHBondContact O-N 2.91Å; P419-V423 WeakPolarHBondContact O-CB 3.45Å; P419-V423 WeakPolarHBondContact O-CG2 3.46Å; P419-V423 PolarHBondContact O-N 3.04Å; P419-K494 HydrophobicContact CG-CD 3.83Å; P419-F499 HydrophobicContact CB-CZ 4.24Å; P419-F499 HydrophobicContact CG-CE2 4.43Å; P419-F499 HydrophobicContact CG-CZ 4.28Å; P419-I502 HydrophobicContact CG-CG2 4.33Å; P419-L503 HydrophobicContact CB-CD2 3.59Å; P419-W506 HydrophobicContact CB-CE3 4.25Å; P419-W506 HydrophobicContact CB-CH2 4.43Å; P419-W506 HydrophobicContact CB-CZ3 3.69Å; P419-W506 HydrophobicContact CG-CE3 4.34Å; P419-W506 HydrophobicContact CG-CH2 3.71Å; P419-W506 HydrophobicContact CG-CZ3 3.47Å; P419-W506 VanDerWaalsContact CG-CZ3 3.47Å
420I98.7Very high95.4Very high0 Ų016.7 Ų16.70%08%0.084CC..Hα-helixtrans-63.4-45.1174.6-69.1175.7000111W313 L317 L417 S418 V423 T424 C433 F437 W510W313-I420 HydrophobicContact CE3-CG1 4.35Å; W313-I420 HydrophobicContact CZ3-CG1 3.92Å; L317-I420 HydrophobicContact CD1-CD1 3.93Å; L317-I420 HydrophobicContact CD1-CG1 4.26Å; L417-I420 WeakPolarHBondContact O-CB 3.17Å; L417-I420 PolarHBondContact O-N 3.39Å; L417-I420 VanDerWaalsContact O-N 3.09Å; S418-I420 PolarHBondContact O-N 3.17Å; I420-V423 PolarHBondContact O-N 2.91Å; I420-T424 HydrophobicContact CG2-CG2 4.4Å; I420-T424 WeakPolarHBondContact O-CB 3.48Å; I420-T424 WeakPolarHBondContact O-CG2 3.49Å; I420-T424 PolarHBondContact O-N 3.33Å; I420-T424 PolarHBondContact O-OG1 2.93Å; I420-C433 HydrophobicContact CD1-CB 4.46Å; I420-C433 HydrophobicContact CG2-CB 3.47Å; I420-C433 VanDerWaalsContact CG2-CB 3.47Å; I420-F437 HydrophobicContact CD1-CB 4.16Å; I420-F437 HydrophobicContact CD1-CD1 3.78Å; I420-F437 HydrophobicContact CD1-CG 4.44Å; I420-W510 HydrophobicContact CG1-CH2 4.3Å
421L98.4Very high96Very high0 Ų014.5 Ų14.50%07%0.071CC..Hα-helixtrans-68.3-37.3178176.562.2000111.9F381 F382 G389 L392 L393 L417 S418 Q425 S430F381-L421 HydrophobicContact CE1-CD2 4.29Å; F381-L421 HydrophobicContact CE1-CG 3.99Å; F381-L421 HydrophobicContact CZ-CG 4.24Å; F382-L421 HydrophobicContact CE1-CD2 4.07Å; F382-L421 HydrophobicContact CZ-CD2 4.45Å; G389-L421 WeakPolarHBondContact O-CD2 3.34Å; L392-L421 HydrophobicContact CB-CD1 3.94Å; L392-L421 HydrophobicContact CB-CD2 3.76Å; L392-L421 HydrophobicContact CB-CG 4.49Å; L392-L421 HydrophobicContact CD1-CD1 4.26Å; L393-L421 HydrophobicContact CB-CD2 4.44Å; L393-L421 HydrophobicContact CD2-CB 4.44Å; L393-L421 HydrophobicContact CD2-CD2 3.59Å; L393-L421 HydrophobicContact CG-CD2 3.73Å; L417-L421 HydrophobicContact CD1-CB 4.37Å; L417-L421 HydrophobicContact CG-CB 4.48Å; L417-L421 PolarHBondContact O-N 2.77Å; S418-L421 PolarHBondContact O-N 3.01Å; L421-Q425 WeakPolarHBondContact O-CA 3.33Å; L421-Q425 PolarHBondContact O-N 2.65Å; L421-S430 WeakPolarHBondContact CA-OG 3.47Å; L421-S430 WeakPolarHBondContact CD1-OG 3.47Å
422F98.3Very high96.9Very high45 Ų4514.9 Ų14.920%0.1977%0.072CC..Hα-helixtrans-62.1-40.4173.9175.6-88.5000112.8F381 S418 P419 Q425 F499 L503F381-F422 HydrophobicContact CB-CD2 3.68Å; F381-F422 HydrophobicContact CB-CE2 4.08Å; F381-F422 HydrophobicContact CD2-CD2 4.14Å; F381-F422 AromaticContact CG-CD2 3.89Å; F381-F422 HydrophobicContact CG-CD2 3.89Å; S418-F422 WeakPolarHBondContact O-CB 3.25Å; S418-F422 PolarHBondContact O-N 2.86Å; P419-F422 PolarHBondContact O-N 2.91Å; F422-Q425 WeakPolarHBondContact O-CG 3.39Å; F422-Q425 PolarHBondContact O-NE2 3.18Å; F422-F499 HydrophobicContact CB-CE1 3.97Å; F422-F499 HydrophobicContact CB-CZ 3.88Å; F422-F499 AromaticContact CD1-CE1 3.61Å; F422-F499 HydrophobicContact CD1-CE1 3.61Å; F422-F499 HydrophobicContact CD1-CZ 4.39Å; F422-F499 AromaticContact CD2-CE1 3.9Å; F422-F499 HydrophobicContact CD2-CE1 3.9Å; F422-F499 HydrophobicContact CD2-CZ 4.21Å; F422-F499 AromaticContact CE1-CE1 3.99Å; F422-F499 HydrophobicContact CE1-CE1 3.99Å; F422-F499 HydrophobicContact CE2-CE1 4.26Å; F422-F499 AromaticContact CG-CE1 3.56Å; F422-F499 HydrophobicContact CG-CE1 3.56Å; F422-F499 AromaticContact CG-CZ 3.92Å; F422-F499 HydrophobicContact CG-CZ 3.92Å; F422-F499 HydrophobicContact CZ-CE1 4.3Å; F422-L503 HydrophobicContact CE1-CD1 4.47Å
423V98.2Very high97.6Very high16 Ų1614.9 Ų14.910%0.0977%0.072CC..Hα-helixtrans-76.6-46.7179.6166.20000112.4R309 K310 W313 P419 I420 L503R309-V423 HydrophobicContact CB-CG1 3.71Å; R309-V423 HydrophobicContact CB-CG2 4.41Å; K310-V423 HydrophobicContact CB-CG1 4.34Å; W313-V423 HydrophobicContact CD2-CB 4.37Å; W313-V423 HydrophobicContact CD2-CG1 3.83Å; W313-V423 HydrophobicContact CD2-CG2 4.38Å; W313-V423 HydrophobicContact CE3-CB 3.98Å; W313-V423 HydrophobicContact CE3-CG1 3.86Å; W313-V423 HydrophobicContact CE3-CG2 4.15Å; W313-V423 HydrophobicContact CG-CG1 4.23Å; W313-V423 HydrophobicContact CH2-CG2 3.93Å; W313-V423 HydrophobicContact CZ2-CG2 4.08Å; W313-V423 HydrophobicContact CZ3-CB 4.1Å; W313-V423 HydrophobicContact CZ3-CG1 4.44Å; W313-V423 HydrophobicContact CZ3-CG2 3.91Å; P419-V423 WeakPolarHBondContact O-CB 3.45Å; P419-V423 WeakPolarHBondContact O-CG2 3.46Å; P419-V423 PolarHBondContact O-N 3.04Å; I420-V423 PolarHBondContact O-N 2.91Å; V423-L503 HydrophobicContact CG2-CD1 4.47Å; V423-L503 HydrophobicContact CG2-CD2 3.71Å
424T96.9Very high97.9Very high0 Ų014.8 Ų14.80%07%0.072CC..Hα-helixtrans-79.5-36-176.561.40000112.6K310 I420 N426 E429 S430K310-T424 WeakPolarHBondContact CE-O 3.38Å; K310-T424 PolarHBondContact NZ-O 2.88Å; I420-T424 HydrophobicContact CG2-CG2 4.4Å; I420-T424 WeakPolarHBondContact O-CB 3.48Å; I420-T424 WeakPolarHBondContact O-CG2 3.49Å; I420-T424 PolarHBondContact O-N 3.33Å; I420-T424 PolarHBondContact O-OG1 2.93Å; T424-N426 PolarHBondContact O-N 2.95Å; T424-N426 VanDerWaalsContact O-N 3.11Å; T424-E429 HydrophobicContact CG2-CB 4.13Å; T424-S430 PolarHBondContact OG1-OG 2.95Å
425Q95.7Very high98Very high126 Ų12615.2 Ų15.259%0.5897%0.074SC*.  trans52.928.3-176.8-49.7-173.13.200113.5F381 L421 F422F381-Q425 HydrophobicContact CE2-CG 3.95Å; F381-Q425 HydrophobicContact CZ-CG 4.45Å; L421-Q425 WeakPolarHBondContact O-CA 3.33Å; L421-Q425 PolarHBondContact O-N 2.65Å; F422-Q425 WeakPolarHBondContact O-CG 3.39Å; F422-Q425 PolarHBondContact O-NE2 3.18Å
426N97Very high98.2Very high63 Ų6315.5 Ų15.534%0.3378%0.077SC..SBendtrans-142.8132.4-179.8178.5-72000109.5T424 V428 E429 S430T424-N426 PolarHBondContact O-N 2.95Å; T424-N426 VanDerWaalsContact O-N 3.11Å; N426-V428 PolarHBondContact O-N 3.28Å; N426-V428 PolarHBondContact OD1-N 2.8Å; N426-E429 HydrophobicContact CB-CB 4.06Å; N426-E429 HydrophobicContact CB-CG 4.02Å; N426-E429 VanDerWaalsContact CB-OE2 3.24Å; N426-E429 WeakPolarHBondContact CB-OE2 3.32Å; N426-E429 PolarHBondContact OD1-N 3Å; N426-S430 VanDerWaalsContact O-CB 3.25Å; N426-S430 WeakPolarHBondContact O-CB 3.35Å; N426-S430 PolarHBondContact O-N 2.74Å; N426-S430 PolarHBondContact O-OG 2.8Å
427E97.7Very high98.2Very high29 Ų2915.5 Ų15.514%0.1368%0.077CC..Hα-helixtrans-61.3-45.2-173.7-154.2-172.1151.500113.3Y340 K344 L392 V396 F431Y340-E427 HydrophobicContact CE1-CG 3.97Å; Y340-E427 VanDerWaalsContact CE1-OE1 3.28Å; Y340-E427 WeakPolarHBondContact CE1-OE1 3.16Å; Y340-E427 VanDerWaalsContact CZ-OE1 3.29Å; Y340-E427 PolarHBondContact OH-OE1 3.05Å; K344-E427 VanDerWaalsContact CD-OE1 3.3Å; K344-E427 WeakPolarHBondContact CD-OE1 3.31Å; K344-E427 WeakPolarHBondContact CE-OE1 3.28Å; K344-E427 IonicContact NZ-OE1 2.64Å; K344-E427 PolarHBondContact NZ-OE1 3.18Å; K344-E427 IonicContact NZ-OE2 3.52Å; K344-E427 PolarHBondContact NZ-OE2 3.43Å; L392-E427 HydrophobicContact CD2-CB 3.82Å; L392-E427 HydrophobicContact CD2-CG 3.68Å; V396-E427 HydrophobicContact CG2-CG 3.58Å; E427-F431 PolarHBondContact O-N 3.46Å
428V98.5Very high98.2Very high6 Ų615.5 Ų15.54%0.0368%0.077CC..Hα-helixtrans-72.2-46.3-178.3178.70000110.8T337 Y340 F341 N426 S430 F431 W432T337-V428 HydrophobicContact CG2-CG2 4.28Å; Y340-V428 HydrophobicContact CD1-CG2 3.73Å; Y340-V428 HydrophobicContact CE1-CG2 4.47Å; Y340-V428 HydrophobicContact CG-CG2 4.11Å; F341-V428 HydrophobicContact CE2-CG2 3.99Å; F341-V428 HydrophobicContact CZ-CG2 4.42Å; N426-V428 PolarHBondContact O-N 3.28Å; N426-V428 PolarHBondContact OD1-N 2.8Å; V428-S430 VanDerWaalsContact C-N 3.28Å; V428-S430 PolarHBondContact O-N 3.17Å; V428-F431 PolarHBondContact O-N 3.24Å; V428-W432 VanDerWaalsContact O-CD1 3.24Å; V428-W432 PolarHBondContact O-N 3.5Å; V428-W432 VanDerWaalsContact O-N 3.15Å
429E98.5Very high98.1Very high12 Ų1220.5 Ų20.56%0.05610%0.104CC..Hα-helixtrans-62.4-38.9176.9-59.7-176.3109.600110.6K310 K314 F319 L333 T424 N426 C433K310-E429 WeakPolarHBondContact CE-OE2 3.28Å; K310-E429 IonicContact NZ-OE2 2.65Å; K310-E429 PolarHBondContact NZ-OE2 3.02Å; K314-E429 HydrophobicContact CD-CG 4.48Å; K314-E429 WeakPolarHBondContact CD-OE1 3.35Å; K314-E429 WeakPolarHBondContact CE-OE1 3.39Å; K314-E429 IonicContact NZ-OE1 2.79Å; K314-E429 PolarHBondContact NZ-OE1 2.87Å; F319-E429 HydrophobicContact CE1-CB 4.23Å; F319-E429 HydrophobicContact CE1-CG 4.07Å; L333-E429 HydrophobicContact CD1-CG 4.45Å; T424-E429 HydrophobicContact CG2-CB 4.13Å; N426-E429 HydrophobicContact CB-CB 4.06Å; N426-E429 HydrophobicContact CB-CG 4.02Å; N426-E429 VanDerWaalsContact CB-OE2 3.24Å; N426-E429 WeakPolarHBondContact CB-OE2 3.32Å; N426-E429 PolarHBondContact OD1-N 3Å; E429-C433 VanDerWaalsContact O-CB 3.27Å; E429-C433 WeakPolarHBondContact O-CB 3.42Å; E429-C433 PolarHBondContact O-N 3.41Å; E429-C433 PolarHBondContact O-SG 2.92Å
430S98.8Very high98Very high0 Ų022.7 Ų22.70%012%0.115CC..Hα-helixtrans-60.7-47.5175.4-62.20000112.2L421 T424 N426 V428 C433 L434L421-S430 WeakPolarHBondContact CA-OG 3.47Å; L421-S430 WeakPolarHBondContact CD1-OG 3.47Å; T424-S430 PolarHBondContact OG1-OG 2.95Å; N426-S430 VanDerWaalsContact O-CB 3.25Å; N426-S430 WeakPolarHBondContact O-CB 3.35Å; N426-S430 PolarHBondContact O-N 2.74Å; N426-S430 PolarHBondContact O-OG 2.8Å; V428-S430 VanDerWaalsContact C-N 3.28Å; V428-S430 PolarHBondContact O-N 3.17Å; S430-C433 PolarHBondContact O-N 3.13Å; S430-L434 WeakPolarHBondContact O-CB 3.37Å; S430-L434 PolarHBondContact O-N 2.77Å
431F98.9Very high97.8Very high0 Ų022.8 Ų22.80%012%0.116CC..Hα-helixtrans-60.9-48.7-178.8173.3-88.1000111.8Y340 M343 V396 T399 Y403 E427 V428 C433 L434 T435Y340-F431 HydrophobicContact CD2-CB 3.63Å; Y340-F431 AromaticContact CD2-CD1 3.62Å; Y340-F431 HydrophobicContact CD2-CD1 3.62Å; Y340-F431 AromaticContact CD2-CD2 3.76Å; Y340-F431 HydrophobicContact CD2-CD2 3.76Å; Y340-F431 HydrophobicContact CD2-CE1 4.24Å; Y340-F431 HydrophobicContact CD2-CE2 4.32Å; Y340-F431 AromaticContact CD2-CG 3.36Å; Y340-F431 HydrophobicContact CD2-CG 3.36Å; Y340-F431 HydrophobicContact CE2-CB 3.48Å; Y340-F431 VanDerWaalsContact CE2-CB 3.48Å; Y340-F431 HydrophobicContact CE2-CD1 4.15Å; Y340-F431 AromaticContact CE2-CD2 3.46Å; Y340-F431 HydrophobicContact CE2-CD2 3.46Å; Y340-F431 VanDerWaalsContact CE2-CD2 3.46Å; Y340-F431 HydrophobicContact CE2-CE2 4.23Å; Y340-F431 AromaticContact CE2-CG 3.41Å; Y340-F431 HydrophobicContact CE2-CG 3.41Å; Y340-F431 VanDerWaalsContact CE2-CG 3.41Å; M343-F431 HydrophobicContact CE-CE1 3.6Å; M343-F431 HydrophobicContact CE-CE2 4.38Å; M343-F431 HydrophobicContact CE-CZ 3.45Å; M343-F431 VanDerWaalsContact CE-CZ 3.45Å; V396-F431 HydrophobicContact CG1-CB 4.01Å; V396-F431 HydrophobicContact CG1-CD2 4.23Å; T399-F431 HydrophobicContact CG2-CD2 4.27Å; T399-F431 HydrophobicContact CG2-CE2 3.98Å; Y403-F431 HydrophobicContact CD1-CZ 4.44Å; Y403-F431 HydrophobicContact CD2-CZ 4.24Å; Y403-F431 AromaticContact CG-CZ 3.91Å; Y403-F431 HydrophobicContact CG-CZ 3.91Å; E427-F431 PolarHBondContact O-N 3.46Å; V428-F431 PolarHBondContact O-N 3.24Å; F431-C433 VanDerWaalsContact C-N 3.35Å; F431-C433 PolarHBondContact O-N 2.96Å; F431-L434 WeakPolarHBondContact O-CB 3.22Å; F431-L434 PolarHBondContact O-N 3.44Å; F431-L434 VanDerWaalsContact O-N 3.14Å; F431-T435 HydrophobicContact CD1-CG2 4.36Å; F431-T435 HydrophobicContact CE1-CG2 3.79Å; F431-T435 HydrophobicContact CE2-CG2 4.46Å; F431-T435 HydrophobicContact CZ-CG2 3.85Å; F431-T435 PolarHBondContact O-N 2.87Å
432W98.8Very high97.5Very high12 Ų1225.7 Ų25.75%0.04513%0.129CC..Hα-helixtrans-75.4-23.6-177.7-67.6110.5000113.6F319 K336 E339 M343 Y403 V428 T435 G436F319-W432 HydrophobicContact CB-CB 4.36Å; F319-W432 HydrophobicContact CD1-CB 4.35Å; F319-W432 HydrophobicContact CD2-CB 3.54Å; F319-W432 HydrophobicContact CD2-CG 4.18Å; F319-W432 HydrophobicContact CE2-CB 3.86Å; F319-W432 HydrophobicContact CE2-CG 4.14Å; F319-W432 HydrophobicContact CG-CB 3.84Å; F319-W432 HydrophobicContact CZ-CB 4.41Å; K336-W432 HydrophobicContact CB-CG 4.43Å; K336-W432 HydrophobicContact CD-CD2 3.47Å; K336-W432 VanDerWaalsContact CD-CD2 3.47Å; K336-W432 HydrophobicContact CD-CE3 3.88Å; K336-W432 HydrophobicContact CD-CG 3.97Å; K336-W432 HydrophobicContact CD-CH2 3.97Å; K336-W432 HydrophobicContact CD-CZ2 3.53Å; K336-W432 HydrophobicContact CD-CZ3 4.13Å; K336-W432 PolarHBondContact O-NE1 2.96Å; E339-W432 HydrophobicContact CB-CZ2 4.13Å; E339-W432 HydrophobicContact CG-CH2 4.04Å; E339-W432 HydrophobicContact CG-CZ2 3.75Å; E339-W432 WeakPolarHBondContact OE2-CH2 3.45Å; E339-W432 VanDerWaalsContact OE2-CZ2 3.32Å; E339-W432 WeakPolarHBondContact OE2-CZ2 3.48Å; M343-W432 HydrophobicContact CE-CH2 4Å; M343-W432 HydrophobicContact CE-CZ2 3.89Å; Y403-W432 HydrophobicContact CE2-CH2 4.25Å; Y403-W432 HydrophobicContact CE2-CZ3 4.07Å; V428-W432 VanDerWaalsContact O-CD1 3.24Å; V428-W432 PolarHBondContact O-N 3.5Å; V428-W432 VanDerWaalsContact O-N 3.15Å; W432-T435 WeakPolarHBondContact CA-OG1 3.48Å; W432-T435 HydrophobicContact CE3-CG2 4.26Å; W432-T435 HydrophobicContact CZ3-CG2 4.41Å; W432-T435 PolarHBondContact O-OG1 3.49Å; W432-G436 PolarHBondContact O-N 3.27Å
433C98.8Very high97.2Very high1 Ų128.3 Ų28.31%0.00714%0.142CC..Hα-helixtrans-71.2-37.9165.5-69.10000111.7L317 I420 E429 S430 F431 G436 F437L317-C433 HydrophobicContact CB-CB 4.46Å; L317-C433 HydrophobicContact CD1-CB 3.68Å; I420-C433 HydrophobicContact CD1-CB 4.46Å; I420-C433 HydrophobicContact CG2-CB 3.47Å; I420-C433 VanDerWaalsContact CG2-CB 3.47Å; E429-C433 VanDerWaalsContact O-CB 3.27Å; E429-C433 WeakPolarHBondContact O-CB 3.42Å; E429-C433 PolarHBondContact O-N 3.41Å; E429-C433 PolarHBondContact O-SG 2.92Å; S430-C433 PolarHBondContact O-N 3.13Å; F431-C433 VanDerWaalsContact C-N 3.35Å; F431-C433 PolarHBondContact O-N 2.96Å; C433-G436 PolarHBondContact O-N 3.14Å; C433-F437 PolarHBondContact O-N 3.15Å
434L98.8Very high96.7Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-65.2-42.9174.9179.167000111.6V396 L397 Y400 L416 L417 S430 F431 G436 F437 M438V396-L434 HydrophobicContact CG1-CD2 4.23Å; L397-L434 HydrophobicContact CD2-CD2 4.21Å; Y400-L434 HydrophobicContact CD2-CD2 4.22Å; L416-L434 HydrophobicContact CB-CD1 4.31Å; L417-L434 HydrophobicContact CB-CD1 4.16Å; L417-L434 HydrophobicContact CB-CD2 4.3Å; L417-L434 HydrophobicContact CD1-CB 4.17Å; L417-L434 HydrophobicContact CD1-CD2 4.16Å; L417-L434 HydrophobicContact CD2-CD2 4.43Å; S430-L434 WeakPolarHBondContact O-CB 3.37Å; S430-L434 PolarHBondContact O-N 2.77Å; F431-L434 WeakPolarHBondContact O-CB 3.22Å; F431-L434 PolarHBondContact O-N 3.44Å; F431-L434 VanDerWaalsContact O-N 3.14Å; L434-G436 VanDerWaalsContact C-N 3.34Å; L434-G436 PolarHBondContact O-N 3.26Å; L434-F437 PolarHBondContact O-N 2.95Å; L434-M438 HydrophobicContact CD1-CG 4.19Å; L434-M438 HydrophobicContact CG-CG 4.28Å; L434-M438 WeakPolarHBondContact O-CB 3.2Å; L434-M438 VanDerWaalsContact O-CG 3.3Å; L434-M438 WeakPolarHBondContact O-CG 3.42Å; L434-M438 PolarHBondContact O-N 3.49Å
435T98.4Very high96.1Very high8 Ų828.1 Ų28.15%0.04914%0.14CC..Hα-helixtrans-59.8-45.9175.956.10000111Y400 Y403 F431 W432 F437 M438 D439Y400-T435 HydrophobicContact CD2-CG2 4.13Å; Y400-T435 HydrophobicContact CE2-CG2 4.07Å; Y403-T435 HydrophobicContact CD1-CG2 3.75Å; Y403-T435 HydrophobicContact CE1-CG2 3.53Å; Y403-T435 HydrophobicContact CG-CG2 4.41Å; F431-T435 HydrophobicContact CD1-CG2 4.36Å; F431-T435 HydrophobicContact CE1-CG2 3.79Å; F431-T435 HydrophobicContact CE2-CG2 4.46Å; F431-T435 HydrophobicContact CZ-CG2 3.85Å; F431-T435 PolarHBondContact O-N 2.87Å; W432-T435 WeakPolarHBondContact CA-OG1 3.48Å; W432-T435 HydrophobicContact CE3-CG2 4.26Å; W432-T435 HydrophobicContact CZ3-CG2 4.41Å; W432-T435 PolarHBondContact O-OG1 3.49Å; T435-F437 VanDerWaalsContact C-N 3.26Å; T435-F437 PolarHBondContact O-N 3.31Å; T435-M438 CarbonylContact O-C 3.6Å; T435-M438 PolarHBondContact O-N 3.12Å; T435-M438 VanDerWaalsContact O-N 3.09Å; T435-D439 PolarHBondContact O-N 3.46Å
436G98.4Very high95.4Very high7 Ų725.8 Ų25.87%0.07213%0.13CC..Hα-helixtrans-66.6-22.5177.200000114.7L317 W432 C433 L434 L440L317-G436 WeakPolarHBondContact O-CA 3.3Å; W432-G436 PolarHBondContact O-N 3.27Å; C433-G436 PolarHBondContact O-N 3.14Å; L434-G436 VanDerWaalsContact C-N 3.34Å; L434-G436 PolarHBondContact O-N 3.26Å; G436-L440 WeakPolarHBondContact O-CG 3.09Å
437F98.7Very high94.2Very high0 Ų030.2 Ų30.20%015%0.148CC..Hα-helixtrans-78.6-42.6168.3-167.3-173.6000110.9L317 L416 I420 C433 L434 T435 D439 L440 V441 W492 W506 W510L317-F437 HydrophobicContact CD2-CB 3.81Å; L317-F437 HydrophobicContact CD2-CG 4.35Å; L416-F437 HydrophobicContact CB-CD1 4.16Å; L416-F437 HydrophobicContact CB-CE1 4.03Å; L416-F437 HydrophobicContact CD2-CE1 3.74Å; L416-F437 HydrophobicContact CD2-CZ 3.91Å; L416-F437 HydrophobicContact CG-CE1 4.32Å; I420-F437 HydrophobicContact CD1-CB 4.16Å; I420-F437 HydrophobicContact CD1-CD1 3.78Å; I420-F437 HydrophobicContact CD1-CG 4.44Å; C433-F437 PolarHBondContact O-N 3.15Å; L434-F437 PolarHBondContact O-N 2.95Å; T435-F437 VanDerWaalsContact C-N 3.26Å; T435-F437 PolarHBondContact O-N 3.31Å; F437-D439 VanDerWaalsContact C-N 3.25Å; F437-D439 PolarHBondContact O-N 3.49Å; F437-L440 HydrophobicContact CD2-CD1 4.08Å; F437-L440 HydrophobicContact CD2-CG 4.48Å; F437-L440 WeakPolarHBondContact O-CA 3.4Å; F437-L440 VanDerWaalsContact O-CB 3.31Å; F437-L440 WeakPolarHBondContact O-CB 3.4Å; F437-L440 WeakPolarHBondContact O-CG 3.28Å; F437-L440 PolarHBondContact O-N 3.42Å; F437-V441 HydrophobicContact CD2-CG1 4.41Å; F437-V441 HydrophobicContact CD2-CG2 4.42Å; F437-V441 HydrophobicContact CE2-CG1 4.04Å; F437-V441 PolarHBondContact O-N 3.34Å; F437-W492 HydrophobicContact CD2-CZ3 4.5Å; F437-W492 AromaticContact CE2-CD2 3.87Å; F437-W492 HydrophobicContact CE2-CD2 3.87Å; F437-W492 AromaticContact CE2-CE3 3.46Å; F437-W492 HydrophobicContact CE2-CE3 3.46Å; F437-W492 VanDerWaalsContact CE2-CE3 3.46Å; F437-W492 HydrophobicContact CE2-CH2 4.23Å; F437-W492 AromaticContact CE2-CZ3 3.67Å; F437-W492 HydrophobicContact CE2-CZ3 3.67Å; F437-W492 HydrophobicContact CZ-CB 4.45Å; F437-W492 HydrophobicContact CZ-CD2 4.18Å; F437-W492 AromaticContact CZ-CE3 3.82Å; F437-W492 HydrophobicContact CZ-CE3 3.82Å; F437-W492 HydrophobicContact CZ-CG 4.47Å; F437-W492 HydrophobicContact CZ-CZ3 4.42Å; F437-W506 HydrophobicContact CE1-CD2 4.04Å; F437-W506 AromaticContact CE1-CE3 3.9Å; F437-W506 HydrophobicContact CE1-CE3 3.9Å; F437-W506 AromaticContact CE1-CH2 3.81Å; F437-W506 HydrophobicContact CE1-CH2 3.81Å; F437-W506 AromaticContact CE1-CZ2 3.89Å; F437-W506 HydrophobicContact CE1-CZ2 3.89Å; F437-W506 AromaticContact CE1-CZ3 3.78Å; F437-W506 HydrophobicContact CE1-CZ3 3.78Å; F437-W506 HydrophobicContact CZ-CD2 4.12Å; F437-W506 AromaticContact CZ-CE2 3.93Å; F437-W506 HydrophobicContact CZ-CE3 4.44Å; F437-W506 HydrophobicContact CZ-CH2 4.48Å; F437-W506 HydrophobicContact CZ-CZ2 4.11Å; F437-W510 AromaticContact CD1-CZ2 3.88Å; F437-W510 HydrophobicContact CD1-CZ2 3.88Å; F437-W510 HydrophobicContact CD2-CZ2 4.44Å; F437-W510 AromaticContact CD2-NE1 3.4Å; F437-W510 AromaticContact CE1-CZ2 3.89Å; F437-W510 HydrophobicContact CE1-CZ2 3.89Å; F437-W510 HydrophobicContact CE2-CZ2 4.49Å; F437-W510 AromaticContact CE2-NE1 3.41Å; F437-W510 HydrophobicContact CG-CZ2 4.15Å; F437-W510 AromaticContact CG-NE1 3.91Å; F437-W510 HydrophobicContact CZ-CZ2 4.21Å; F437-W510 AromaticContact CZ-NE1 3.89Å
438M97.8Very high93.1Very high1 Ų131.3 Ų31.31%0.00516%0.159CC..Hα-helixtrans-62.9-29.7176.4-68.7-63.5-67.800112.3Y400 L407 M413 L416 L434 T435 L440 V441 H442 F445Y400-M438 HydrophobicContact CE1-CE 4.4Å; Y400-M438 HydrophobicContact CE2-CB 4.1Å; Y400-M438 HydrophobicContact CE2-CG 3.84Å; Y400-M438 WeakPolarHBondContact OH-CB 3.45Å; L407-M438 HydrophobicContact CD2-CE 3.66Å; M413-M438 HydrophobicContact CE-CE 3.88Å; M413-M438 HydrophobicContact CE-SD 4.44Å; M413-M438 HydrophobicContact CG-CE 4.22Å; M413-M438 HydrophobicContact CG-SD 4.35Å; M413-M438 HydrophobicContact SD-CE 4.01Å; L416-M438 HydrophobicContact CD1-SD 3.91Å; L434-M438 HydrophobicContact CD1-CG 4.19Å; L434-M438 HydrophobicContact CG-CG 4.28Å; L434-M438 WeakPolarHBondContact O-CB 3.2Å; L434-M438 VanDerWaalsContact O-CG 3.3Å; L434-M438 WeakPolarHBondContact O-CG 3.42Å; L434-M438 PolarHBondContact O-N 3.49Å; T435-M438 CarbonylContact O-C 3.6Å; T435-M438 PolarHBondContact O-N 3.12Å; T435-M438 VanDerWaalsContact O-N 3.09Å; M438-L440 PolarHBondContact O-N 3.09Å; M438-L440 VanDerWaalsContact O-N 3.07Å; M438-V441 PolarHBondContact O-N 3Å; M438-V441 HydrophobicContact SD-CG2 4Å; M438-H442 HydrophobicContact CE-CB 4.16Å; M438-H442 VanDerWaalsContact O-CB 3.24Å; M438-H442 WeakPolarHBondContact O-CB 3.42Å; M438-H442 PolarHBondContact O-N 3.5Å; M438-H442 PolarHBondContact O-ND1 3.13Å; M438-F445 HydrophobicContact CE-CD2 4.01Å; M438-F445 HydrophobicContact CE-CE2 4.49Å; M438-F445 HydrophobicContact SD-CE2 4.44Å
439D96.1Very high92Very high104 Ų10432 Ų3256%0.55616%0.162SC*.Hα-helixtrans-56-24.2169.3-68.7-23.3000112.7T435 F437T435-D439 PolarHBondContact O-N 3.46Å; F437-D439 VanDerWaalsContact C-N 3.25Å; F437-D439 PolarHBondContact O-N 3.49Å
440L96.4Very high91.1Very high46 Ų4636.4 Ų36.424%0.24118%0.182CC..Hα-helixtrans-92.6-20.2178.1-31.3179.6000113.6G436 F437 M438 W492 W510 R512G436-L440 WeakPolarHBondContact O-CG 3.09Å; F437-L440 HydrophobicContact CD2-CD1 4.08Å; F437-L440 HydrophobicContact CD2-CG 4.48Å; F437-L440 WeakPolarHBondContact O-CA 3.4Å; F437-L440 VanDerWaalsContact O-CB 3.31Å; F437-L440 WeakPolarHBondContact O-CB 3.4Å; F437-L440 WeakPolarHBondContact O-CG 3.28Å; F437-L440 PolarHBondContact O-N 3.42Å; M438-L440 PolarHBondContact O-N 3.09Å; M438-L440 VanDerWaalsContact O-N 3.07Å; L440-W492 HydrophobicContact CB-CH2 4.06Å; L440-W492 HydrophobicContact CB-CZ2 4.31Å; L440-W492 HydrophobicContact CD1-CH2 3.91Å; L440-W492 HydrophobicContact CD1-CZ3 4.28Å; L440-W510 VanDerWaalsContact CD1-CD1 3.42Å; L440-W510 HydrophobicContact CD1-CG 4.45Å; L440-R512 VanDerWaalsContact CD2-NH2 3.29Å
441V95.8Very high90.5Very high2 Ų236.8 Ų36.81%0.01219%0.186CC..Hα-helixtrans-137.9-2.9-168.2-570000116.6L416 F437 M438 Q443 N444 F445 W492L416-V441 HydrophobicContact CD1-CG2 3.8Å; F437-V441 HydrophobicContact CD2-CG1 4.41Å; F437-V441 HydrophobicContact CD2-CG2 4.42Å; F437-V441 HydrophobicContact CE2-CG1 4.04Å; F437-V441 PolarHBondContact O-N 3.34Å; M438-V441 PolarHBondContact O-N 3Å; M438-V441 HydrophobicContact SD-CG2 4Å; V441-Q443 PolarHBondContact O-N 2.91Å; V441-Q443 VanDerWaalsContact O-N 3.12Å; V441-N444 VanDerWaalsContact O-CB 3.24Å; V441-N444 WeakPolarHBondContact O-CB 3.46Å; V441-N444 PolarHBondContact O-N 2.98Å; V441-F445 HydrophobicContact CB-CE2 4.37Å; V441-F445 HydrophobicContact CG2-CE2 3.94Å; V441-F445 WeakPolarHBondContact O-CD2 2.81Å; V441-W492 HydrophobicContact CG1-CD2 4.13Å; V441-W492 HydrophobicContact CG1-CH2 4.36Å; V441-W492 HydrophobicContact CG1-CZ2 3.54Å
442H92Very high90Very high61 Ų6136.8 Ų36.828%0.28219%0.186SC..G310 helixtrans-55.6-35.9-173.660.7-85.2000113.6L407 M438 N444 F445L407-H442 HydrophobicContact CD2-CB 4.07Å; M438-H442 HydrophobicContact CE-CB 4.16Å; M438-H442 VanDerWaalsContact O-CB 3.24Å; M438-H442 WeakPolarHBondContact O-CB 3.42Å; M438-H442 PolarHBondContact O-N 3.5Å; M438-H442 PolarHBondContact O-ND1 3.13Å; H442-N444 PolarHBondContact O-N 3.15Å; H442-F445 PolarHBondContact O-N 3.15Å
443Q91.7Very high89.2Confident100 Ų10038.6 Ų38.647%0.46719%0.194SC..G310 helixtrans-61.3-24.7177.6-55.7-174.9-24.700112.8V441 F445 A451V441-Q443 PolarHBondContact O-N 2.91Å; V441-Q443 VanDerWaalsContact O-N 3.12Å; Q443-F445 PolarHBondContact O-N 3.1Å; Q443-A451 HydrophobicContact CB-CB 3.55Å
444N86.9Confident88.7Confident5 Ų543.6 Ų43.63%0.02722%0.217CC..G310 helixtrans-69-18.7175.4-66.619.4000112.3V441 H442 M452 Q455 L489 L490V441-N444 VanDerWaalsContact O-CB 3.24Å; V441-N444 WeakPolarHBondContact O-CB 3.46Å; V441-N444 PolarHBondContact O-N 2.98Å; H442-N444 PolarHBondContact O-N 3.15Å; N444-M452 HydrophobicContact CB-CG 4.03Å; N444-M452 HydrophobicContact CB-SD 3.58Å; N444-M452 VanDerWaalsContact CB-SD 3.58Å; N444-M452 VanDerWaalsContact CG-SD 3.56Å; N444-M452 PolarHBondContact ND2-SD 3.28Å; N444-M452 WeakPolarHBondContact O-CG 3.3Å; N444-Q455 PolarHBondContact ND2-OE1 3.35Å; N444-Q455 PolarHBondContact OD1-NE2 2.92Å; N444-L489 PolarHBondContact ND2-O 2.95Å; N444-L489 VanDerWaalsContact ND2-O 3.13Å; N444-L490 HydrophobicContact CB-CD1 4.2Å; N444-L490 VanDerWaalsContact O-CD1 3.31Å; N444-L490 WeakPolarHBondContact O-CD1 3.22Å
445F85.1Confident88.5Confident7 Ų744.7 Ų44.73%0.03122%0.222CC..G310 helixtrans-105.5-4.2-176.4-63.5-84.6000113.6L407 V410 M413 L416 M438 V441 H442 Q443 L490L407-F445 HydrophobicContact CD1-CB 3.91Å; V410-F445 HydrophobicContact CB-CB 4.02Å; V410-F445 HydrophobicContact CB-CD1 3.87Å; V410-F445 HydrophobicContact CB-CG 4.39Å; V410-F445 HydrophobicContact CG1-CB 4.21Å; V410-F445 HydrophobicContact CG1-CD1 3.84Å; V410-F445 HydrophobicContact CG2-CB 4.23Å; M413-F445 HydrophobicContact CG-CD1 4.02Å; M413-F445 HydrophobicContact CG-CE1 3.94Å; M413-F445 HydrophobicContact CG-CG 4.39Å; M413-F445 HydrophobicContact CG-CZ 4.27Å; L416-F445 HydrophobicContact CD1-CE2 3.75Å; L416-F445 HydrophobicContact CD1-CZ 3.7Å; L416-F445 HydrophobicContact CG-CZ 4.42Å; M438-F445 HydrophobicContact CE-CD2 4.01Å; M438-F445 HydrophobicContact CE-CE2 4.49Å; M438-F445 HydrophobicContact SD-CE2 4.44Å; V441-F445 HydrophobicContact CB-CE2 4.37Å; V441-F445 HydrophobicContact CG2-CE2 3.94Å; V441-F445 WeakPolarHBondContact O-CD2 2.81Å; H442-F445 PolarHBondContact O-N 3.15Å; Q443-F445 PolarHBondContact O-N 3.1Å; F445-L490 HydrophobicContact CD1-CD1 3.85Å; F445-L490 HydrophobicContact CE1-CD1 3.62Å; F445-L490 HydrophobicContact CE1-CD2 4.37Å; F445-L490 HydrophobicContact CE1-CG 3.86Å; F445-L490 HydrophobicContact CE2-CD1 4.44Å; F445-L490 HydrophobicContact CG-CD1 4.37Å; F445-L490 HydrophobicContact CZ-CD1 3.94Å; F445-L490 HydrophobicContact CZ-CG 4.09Å; F445-L490 WeakPolarHBondContact CZ-O 3.42Å
446E79.8Confident88.1Confident78 Ų7844.5 Ų44.536%0.36422%0.221SC..SBendtrans-62.5147.9176.2-71.8176.2-157.600112.9S448 Q449E446-S448 WeakPolarHBondContact CB-OG 3.43Å; E446-S448 PolarHBondContact O-N 3.31Å; E446-S448 VanDerWaalsContact O-N 3.1Å; E446-S448 PolarHBondContact OE2-OG 3.43Å; E446-Q449 PolarHBondContact O-N 3.03Å
447E71.8Confident87.7Confident156 Ų15648.3 Ų48.373%0.72924%0.239SC*.THydrogen-bonded Turntrans-59.6-23.8176.3-169.9177.2-164.800112.6Q449E447-Q449 VanDerWaalsContact C-N 3.26Å; E447-Q449 PolarHBondContact O-N 3.35Å
448S76.3Confident87.5Confident52 Ų5250 Ų5036%0.36425%0.247SC..THydrogen-bonded Turntrans-61.5-32.9173.469.90000113.1E446 E450 K453E446-S448 WeakPolarHBondContact CB-OG 3.43Å; E446-S448 PolarHBondContact O-N 3.31Å; E446-S448 VanDerWaalsContact O-N 3.1Å; E446-S448 PolarHBondContact OE2-OG 3.43Å; S448-E450 PolarHBondContact O-N 2.7Å; S448-E450 VanDerWaalsContact O-N 3.14Å; S448-E450 PolarHBondContact OG-N 2.74Å; S448-K453 WeakPolarHBondContact O-CE 3.32Å; S448-K453 PolarHBondContact O-NZ 3.17Å
449Q74.1Confident87.4Confident20 Ų2049.9 Ų49.99%0.09325%0.247CC..  trans48.923.1-165.9-57.9-168.1-21.500114.3E446 E447 M452 K453E446-Q449 PolarHBondContact O-N 3.03Å; E447-Q449 VanDerWaalsContact C-N 3.26Å; E447-Q449 PolarHBondContact O-N 3.35Å; Q449-M452 PolarHBondContact O-N 3.04Å; Q449-K453 WeakPolarHBondContact O-CG 3.25Å; Q449-K453 PolarHBondContact O-N 2.8Å; Q449-K453 VanDerWaalsContact O-N 3.15Å
450E80Confident87.2Confident104 Ų10446.1 Ų46.149%0.48623%0.228SC..Hα-helixtrans-70.2-42.7-169.7-160.257.1-133.500112.3S448 M452 K453 Q454S448-E450 PolarHBondContact O-N 2.7Å; S448-E450 VanDerWaalsContact O-N 3.14Å; S448-E450 PolarHBondContact OG-N 2.74Å; E450-M452 PolarHBondContact O-N 2.99Å; E450-K453 WeakPolarHBondContact O-CB 3.27Å; E450-K453 PolarHBondContact O-N 3.33Å; E450-K453 VanDerWaalsContact O-N 3.12Å; E450-K453 IonicContact OE2-NZ 3.37Å; E450-K453 PolarHBondContact OE2-NZ 3.44Å; E450-Q454 WeakPolarHBondContact O-CB 3.39Å; E450-Q454 PolarHBondContact O-N 3.06Å
451A86Confident86.9Confident8 Ų845.1 Ų45.17%0.06622%0.223CC..Hα-helixtrans-61.2-32.3174.600000112.8Q443 Q454 Q455Q443-A451 HydrophobicContact CB-CB 3.55Å; A451-Q454 PolarHBondContact O-N 3.01Å; A451-Q455 WeakPolarHBondContact O-CB 3.49Å; A451-Q455 VanDerWaalsContact O-CG 3.29Å; A451-Q455 WeakPolarHBondContact O-CG 3.47Å; A451-Q455 PolarHBondContact O-N 3.1Å
452M88.1Confident86.9Confident1 Ų145 Ų451%0.00522%0.223CC..Hα-helixtrans-68.8-40.3174.2-72.8-60.7-6500112.3N444 Q449 E450 L456 F486 L489 L490N444-M452 HydrophobicContact CB-CG 4.03Å; N444-M452 HydrophobicContact CB-SD 3.58Å; N444-M452 VanDerWaalsContact CB-SD 3.58Å; N444-M452 VanDerWaalsContact CG-SD 3.56Å; N444-M452 PolarHBondContact ND2-SD 3.28Å; N444-M452 WeakPolarHBondContact O-CG 3.3Å; Q449-M452 PolarHBondContact O-N 3.04Å; E450-M452 PolarHBondContact O-N 2.99Å; M452-L456 WeakPolarHBondContact O-CG 3.4Å; M452-L456 PolarHBondContact O-N 3.15Å; M452-L456 VanDerWaalsContact O-N 3.1Å; M452-F486 HydrophobicContact CB-CD2 4.36Å; M452-F486 HydrophobicContact CB-CE2 3.73Å; M452-F486 HydrophobicContact CB-CZ 4.4Å; M452-F486 HydrophobicContact CE-CB 4.42Å; M452-F486 HydrophobicContact CE-CD1 3.91Å; M452-F486 HydrophobicContact CE-CD2 3.4Å; M452-F486 VanDerWaalsContact CE-CD2 3.4Å; M452-F486 HydrophobicContact CE-CE1 3.98Å; M452-F486 HydrophobicContact CE-CE2 3.5Å; M452-F486 HydrophobicContact CE-CG 3.62Å; M452-F486 HydrophobicContact CE-CZ 3.79Å; M452-F486 WeakPolarHBondContact CE-O 3.35Å; M452-F486 HydrophobicContact CG-CE2 3.93Å; M452-F486 HydrophobicContact CG-CZ 4.12Å; M452-L489 HydrophobicContact CE-CB 3.94Å; M452-L489 HydrophobicContact SD-CB 4.43Å; M452-L490 HydrophobicContact CE-CB 3.92Å; M452-L490 HydrophobicContact SD-CB 4.34Å; M452-L490 HydrophobicContact SD-CD1 4.28Å
453K81.3Confident87Confident49 Ų4942.1 Ų42.121%0.21321%0.209CC..Hα-helixtrans-63.6-44.6172.7-62164.9-148.4155.60110.3F225 S448 Q449 E450 L456 L457F225-K453 HydrophobicContact CE1-CG 4.2Å; S448-K453 WeakPolarHBondContact O-CE 3.32Å; S448-K453 PolarHBondContact O-NZ 3.17Å; Q449-K453 WeakPolarHBondContact O-CG 3.25Å; Q449-K453 PolarHBondContact O-N 2.8Å; Q449-K453 VanDerWaalsContact O-N 3.15Å; E450-K453 WeakPolarHBondContact O-CB 3.27Å; E450-K453 PolarHBondContact O-N 3.33Å; E450-K453 VanDerWaalsContact O-N 3.12Å; E450-K453 IonicContact OE2-NZ 3.37Å; E450-K453 PolarHBondContact OE2-NZ 3.44Å; K453-L456 PolarHBondContact O-N 2.86Å; K453-L457 WeakPolarHBondContact O-CB 3.4Å; K453-L457 PolarHBondContact O-N 3.43Å
454Q90.1Very high86.9Confident106 Ų10638.8 Ų38.850%0.49519%0.193SC..Hα-helixtrans-63.5-45.1-179.9-167.1173.61300111.6E450 A451 L456 L457 Q458E450-Q454 WeakPolarHBondContact O-CB 3.39Å; E450-Q454 PolarHBondContact O-N 3.06Å; A451-Q454 PolarHBondContact O-N 3.01Å; Q454-L456 PolarHBondContact O-N 2.96Å; Q454-L457 PolarHBondContact O-N 3.43Å; Q454-Q458 HydrophobicContact CG-CG 4.46Å; Q454-Q458 WeakPolarHBondContact O-CB 3.49Å; Q454-Q458 WeakPolarHBondContact O-CG 3.45Å; Q454-Q458 PolarHBondContact O-N 3.28Å
455Q94.7Very high87Confident23 Ų2338.9 Ų38.911%0.10720%0.195CC..Hα-helixtrans-64-37.1175.9-75.2164.928.300112.5N444 A451 Q458 L459 L489 L520N444-Q455 PolarHBondContact ND2-OE1 3.35Å; N444-Q455 PolarHBondContact OD1-NE2 2.92Å; A451-Q455 WeakPolarHBondContact O-CB 3.49Å; A451-Q455 VanDerWaalsContact O-CG 3.29Å; A451-Q455 WeakPolarHBondContact O-CG 3.47Å; A451-Q455 PolarHBondContact O-N 3.1Å; Q455-Q458 PolarHBondContact O-N 2.88Å; Q455-L459 VanDerWaalsContact O-CB 3.3Å; Q455-L459 WeakPolarHBondContact O-CB 3.37Å; Q455-L459 PolarHBondContact O-N 2.97Å; Q455-L489 HydrophobicContact CB-CD1 4.13Å; Q455-L520 HydrophobicContact CB-CD2 4.14Å; Q455-L520 HydrophobicContact CG-CD2 4.49Å
456L89.1Confident87.4Confident4 Ų439.5 Ų39.52%0.02120%0.198CC..Hα-helixtrans-67.6-39.7173.4-73.5172.6000112.6M452 K453 Q454 L459 S460 L482 C485 F486 L489M452-L456 WeakPolarHBondContact O-CG 3.4Å; M452-L456 PolarHBondContact O-N 3.15Å; M452-L456 VanDerWaalsContact O-N 3.1Å; K453-L456 PolarHBondContact O-N 2.86Å; Q454-L456 PolarHBondContact O-N 2.96Å; L456-L459 PolarHBondContact O-N 2.84Å; L456-S460 PolarHBondContact O-N 2.97Å; L456-L482 HydrophobicContact CD2-CB 4.11Å; L456-L482 WeakPolarHBondContact CD2-O 3.48Å; L456-C485 HydrophobicContact CD2-CB 4.12Å; L456-F486 HydrophobicContact CD1-CD2 4.19Å; L456-L489 HydrophobicContact CD2-CD1 3.74Å; L456-L489 HydrophobicContact CG-CD1 4.16Å
457L89.2Confident87.8Confident87 Ų8736.4 Ų36.446%0.45518%0.184SC..Hα-helixtrans-65-43.7173.7177.361.8000111.5K453 Q454 L459 S460 I461K453-L457 WeakPolarHBondContact O-CB 3.4Å; K453-L457 PolarHBondContact O-N 3.43Å; Q454-L457 PolarHBondContact O-N 3.43Å; L457-L459 VanDerWaalsContact C-N 3.33Å; L457-L459 PolarHBondContact O-N 3.3Å; L457-S460 WeakPolarHBondContact O-CB 3.24Å; L457-S460 PolarHBondContact O-N 2.63Å; L457-I461 HydrophobicContact CD1-CD1 4.42Å; L457-I461 HydrophobicContact CG-CD1 4.15Å; L457-I461 WeakPolarHBondContact O-CG1 3.24Å; L457-I461 PolarHBondContact O-N 2.95Å
458Q95.3Very high88.5Confident35 Ų3531.2 Ų31.216%0.16416%0.164CC..Hα-helixtrans-63.4-38.2175.5-71.8175.9-22.900111.9Q454 Q455 I461 L462 L520 V584Q454-Q458 HydrophobicContact CG-CG 4.46Å; Q454-Q458 WeakPolarHBondContact O-CB 3.49Å; Q454-Q458 WeakPolarHBondContact O-CG 3.45Å; Q454-Q458 PolarHBondContact O-N 3.28Å; Q455-Q458 PolarHBondContact O-N 2.88Å; Q458-I461 PolarHBondContact O-N 3.18Å; Q458-L462 WeakPolarHBondContact O-CB 3.3Å; Q458-L462 VanDerWaalsContact O-CG 3.31Å; Q458-L462 WeakPolarHBondContact O-CG 3.2Å; Q458-L462 PolarHBondContact O-N 3.08Å; Q458-L520 HydrophobicContact CB-CD1 3.59Å; Q458-V584 HydrophobicContact CB-CG1 3.87Å; Q458-V584 HydrophobicContact CB-CG2 3.94Å; Q458-V584 HydrophobicContact CG-CG1 4.28Å; Q458-V584 HydrophobicContact CG-CG2 3.77Å
459L96.4Very high89Confident0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-63.6-40.4172.3-177.162.3000111.8Q455 L456 L457 L462 L463 L482 C485 L489 L520 A523Q455-L459 VanDerWaalsContact O-CB 3.3Å; Q455-L459 WeakPolarHBondContact O-CB 3.37Å; Q455-L459 PolarHBondContact O-N 2.97Å; L456-L459 PolarHBondContact O-N 2.84Å; L457-L459 VanDerWaalsContact C-N 3.33Å; L457-L459 PolarHBondContact O-N 3.3Å; L459-L462 PolarHBondContact O-N 3.13Å; L459-L463 VanDerWaalsContact O-CB 3.31Å; L459-L463 WeakPolarHBondContact O-CB 3.32Å; L459-L463 PolarHBondContact O-N 2.87Å; L459-L482 HydrophobicContact CB-CD1 4.1Å; L459-L482 HydrophobicContact CD2-CD1 3.85Å; L459-L482 HydrophobicContact CG-CD1 3.65Å; L459-C485 HydrophobicContact CD2-CB 3.93Å; L459-L489 HydrophobicContact CD2-CD1 4.38Å; L459-L520 HydrophobicContact CB-CD2 4.47Å; L459-L520 HydrophobicContact CD1-CB 4.46Å; L459-L520 WeakPolarHBondContact CD1-O 3.3Å; L459-A523 HydrophobicContact CD1-CB 3.65Å; L459-A523 HydrophobicContact CD2-CB 3.95Å; L459-A523 HydrophobicContact CG-CB 4.48Å
460S90.4Very high89.6Confident25 Ų2532.8 Ų32.818%0.17517%0.165CC..Hα-helixtrans-64.7-44.4174.6-178.30000112L456 L457 L462 L463 K464L456-S460 PolarHBondContact O-N 2.97Å; L457-S460 WeakPolarHBondContact O-CB 3.24Å; L457-S460 PolarHBondContact O-N 2.63Å; S460-L462 VanDerWaalsContact C-N 3.33Å; S460-L462 PolarHBondContact O-N 2.89Å; S460-L463 PolarHBondContact O-N 3.26Å; S460-K464 WeakPolarHBondContact O-CB 3.46Å; S460-K464 PolarHBondContact O-N 3.42Å
461I91.4Very high89.8Confident25 Ų2528 Ų2813%0.12814%0.143CC..Hα-helixtrans-58.3-43.5174.2-70.5164.6000111.4I258 L457 Q458 A465 Q580 V581 V584I258-I461 HydrophobicContact CD1-CG1 4.24Å; L457-I461 HydrophobicContact CD1-CD1 4.42Å; L457-I461 HydrophobicContact CG-CD1 4.15Å; L457-I461 WeakPolarHBondContact O-CG1 3.24Å; L457-I461 PolarHBondContact O-N 2.95Å; Q458-I461 PolarHBondContact O-N 3.18Å; I461-A465 PolarHBondContact O-N 2.69Å; I461-Q580 HydrophobicContact CG2-CB 4.08Å; I461-V581 HydrophobicContact CG2-CG2 3.9Å; I461-V584 HydrophobicContact CG2-CG2 4.38Å
462L95.5Very high89.6Confident0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-65.3-46.3175.5-73.8166.2000111.9Q458 L459 S460 A465 L466 L520 L521 L571 V581 V584 L585Q458-L462 WeakPolarHBondContact O-CB 3.3Å; Q458-L462 VanDerWaalsContact O-CG 3.31Å; Q458-L462 WeakPolarHBondContact O-CG 3.2Å; Q458-L462 PolarHBondContact O-N 3.08Å; L459-L462 PolarHBondContact O-N 3.13Å; S460-L462 VanDerWaalsContact C-N 3.33Å; S460-L462 PolarHBondContact O-N 2.89Å; L462-A465 PolarHBondContact O-N 2.86Å; L462-L466 WeakPolarHBondContact O-CG 3.23Å; L462-L466 PolarHBondContact O-N 3.08Å; L462-L466 VanDerWaalsContact O-N 3.09Å; L462-L520 HydrophobicContact CD1-CB 3.6Å; L462-L520 HydrophobicContact CD1-CD1 4.01Å; L462-L520 HydrophobicContact CD1-CG 4.48Å; L462-L521 HydrophobicContact CD1-CD2 3.9Å; L462-L521 HydrophobicContact CD2-CD2 3.91Å; L462-L521 HydrophobicContact CG-CD2 4.43Å; L462-L571 HydrophobicContact CD2-CD1 4.11Å; L462-V581 HydrophobicContact CD2-CG1 4.05Å; L462-V584 HydrophobicContact CD1-CG1 3.63Å; L462-V584 HydrophobicContact CD2-CG1 4.26Å; L462-V584 HydrophobicContact CG-CG1 3.92Å; L462-L585 HydrophobicContact CD2-CD2 4.03Å; L462-L585 HydrophobicContact CD2-CG 4.32Å
463L93.3Very high89.4Confident0 Ų033.3 Ų33.30%017%0.169CC..Hα-helixtrans-63.8-42.4-179.7-171.764.7000111.5L459 S460 A465 L466 D467 L470 L474 L482 L527L459-L463 VanDerWaalsContact O-CB 3.31Å; L459-L463 WeakPolarHBondContact O-CB 3.32Å; L459-L463 PolarHBondContact O-N 2.87Å; S460-L463 PolarHBondContact O-N 3.26Å; L463-A465 PolarHBondContact O-N 2.77Å; L463-L466 PolarHBondContact O-N 2.81Å; L463-L466 VanDerWaalsContact O-N 3.09Å; L463-D467 CarbonylContact O-C 3.35Å; L463-D467 PolarHBondContact O-N 2.78Å; L463-L470 HydrophobicContact CD1-CD2 4.15Å; L463-L474 HydrophobicContact CD2-CD1 3.75Å; L463-L482 HydrophobicContact CD2-CD1 4.31Å; L463-L482 HydrophobicContact CD2-CD2 4.17Å; L463-L527 HydrophobicContact CD1-CB 4.41Å; L463-L527 HydrophobicContact CD1-CD1 4.47Å; L463-L527 HydrophobicContact CD2-CD1 4.1Å
464K89.2Confident89.4Confident30 Ų3031 Ų3113%0.1316%0.159CC..Hα-helixtrans-64-27176.7-169.467.6-164.41730113.1I258 S460 P468 C471 D472I258-K464 HydrophobicContact CB-CG 4.49Å; I258-K464 HydrophobicContact CG2-CG 4.31Å; S460-K464 WeakPolarHBondContact O-CB 3.46Å; S460-K464 PolarHBondContact O-N 3.42Å; K464-P468 HydrophobicContact CD-CB 4.25Å; K464-P468 PolarHBondContact NZ-O 3.18Å; K464-C471 HydrophobicContact CB-CB 4.31Å; K464-C471 HydrophobicContact CD-CB 3.65Å; K464-D472 IonicContact NZ-OD1 3.22Å; K464-D472 PolarHBondContact NZ-OD1 3.4Å; K464-D472 IonicContact NZ-OD2 3.87Å; K464-D472 PolarHBondContact NZ-OD2 3.12Å
465A90.7Very high88.8Confident7 Ų729.4 Ų29.46%0.05815%0.154CC..Hα-helixtrans-84.2-19.7174.500000114.1L264 I461 L462 L463 V581L264-A465 WeakPolarHBondContact CD1-O 3.37Å; I461-A465 PolarHBondContact O-N 2.69Å; L462-A465 PolarHBondContact O-N 2.86Å; L463-A465 PolarHBondContact O-N 2.77Å; A465-V581 HydrophobicContact CB-CG2 3.7Å
466L91.9Very high87.9Confident19 Ų1932 Ų3210%0.09918%0.175CC..Hα-helixtrans-95.1-52180-72.3165.7000112.5L264 L462 L463 C524 I567 L571L264-L466 HydrophobicContact CD1-CD2 3.95Å; L462-L466 WeakPolarHBondContact O-CG 3.23Å; L462-L466 PolarHBondContact O-N 3.08Å; L462-L466 VanDerWaalsContact O-N 3.09Å; L463-L466 PolarHBondContact O-N 2.81Å; L463-L466 VanDerWaalsContact O-N 3.09Å; L466-C524 HydrophobicContact CD1-CB 3.77Å; L466-I567 HydrophobicContact CD1-CG2 3.65Å; L466-I567 HydrophobicContact CD2-CG2 3.83Å; L466-I567 HydrophobicContact CG-CG2 4.39Å; L466-L571 HydrophobicContact CD2-CD1 4.13Å; L466-L571 HydrophobicContact CD2-CD2 3.8Å; L466-L571 HydrophobicContact CD2-CG 3.99Å; L466-L571 HydrophobicContact CG-CD1 4.43Å; L466-L571 HydrophobicContact CG-CD2 4.27Å
467D88.6Confident87.1Confident14 Ų1434.2 Ų34.28%0.07519%0.185CC..  trans-138.882.1-177.8-167.5-16000109.6L463 E469 L470 C471 R531L463-D467 CarbonylContact O-C 3.35Å; L463-D467 PolarHBondContact O-N 2.78Å; D467-E469 PolarHBondContact O-N 3.29Å; D467-E469 PolarHBondContact OD1-N 2.84Å; D467-L470 HydrophobicContact CB-CB 3.91Å; D467-L470 PolarHBondContact O-N 3.44Å; D467-L470 PolarHBondContact OD1-N 3.18Å; D467-L470 VanDerWaalsContact OD1-N 3.07Å; D467-L470 WeakPolarHBondContact OD2-CB 3.35Å; D467-C471 PolarHBondContact O-N 3.02Å; D467-R531 IonicContact OD1-CZ 2.71Å; D467-R531 IonicContact OD1-NE 2.69Å; D467-R531 IonicContact OD1-NH2 3.54Å; D467-R531 PolarHBondContact OD1-NH2 3.29Å; D467-R531 WeakPolarHBondContact OD2-CD 3.34Å; D467-R531 WeakPolarHBondContact OD2-CG 3.5Å; D467-R531 IonicContact OD2-CZ 2.74Å; D467-R531 IonicContact OD2-NE 3.17Å; D467-R531 PolarHBondContact OD2-NE 3.32Å; D467-R531 IonicContact OD2-NH2 3.43Å; D467-R531 PolarHBondContact OD2-NH2 3.2Å
468P87.4Confident86.1Confident46 Ų4633.3 Ų33.330%0.29918%0.18SC..Hα-helixtrans-62.7-25.7-177.622.6-32.3000113.1K464 D472K464-P468 HydrophobicContact CD-CB 4.25Å; K464-P468 PolarHBondContact NZ-O 3.18Å; P468-D472 WeakPolarHBondContact O-CB 3.19Å; P468-D472 VanDerWaalsContact O-CG 3.3Å; P468-D472 PolarHBondContact O-N 2.89Å; P468-D472 VanDerWaalsContact O-OD2 3.09Å
469E86.1Confident85Confident105 Ų10531.6 Ų31.649%0.49117%0.173SC..Hα-helixtrans-71.6-45.4176.2-175.2-165.7153.100111.2D467 C471 D472 F473 R531 I535D467-E469 PolarHBondContact O-N 3.29Å; D467-E469 PolarHBondContact OD1-N 2.84Å; E469-C471 VanDerWaalsContact C-N 3.28Å; E469-C471 PolarHBondContact O-N 3.22Å; E469-D472 PolarHBondContact O-N 3.42Å; E469-F473 WeakPolarHBondContact O-CB 3.2Å; E469-F473 PolarHBondContact O-N 3.45Å; E469-R531 VanDerWaalsContact CD-NH2 3.28Å; E469-R531 IonicContact OE1-NH1 3.1Å; E469-R531 PolarHBondContact OE1-NH1 3.37Å; E469-R531 IonicContact OE1-NH2 2.72Å; E469-R531 IonicContact OE2-CZ 2.81Å; E469-R531 IonicContact OE2-NH1 2.65Å; E469-R531 PolarHBondContact OE2-NH1 3.3Å; E469-R531 IonicContact OE2-NH2 2.73Å; E469-R531 PolarHBondContact OE2-NH2 2.8Å; E469-I535 HydrophobicContact CG-CD1 4.41Å
470L86.4Confident83.6Confident0 Ų032 Ų320%018%0.177CC..Hα-helixtrans-61.8-38172.818057000111.5L463 D467 L474 R531 L534 I535L463-L470 HydrophobicContact CD1-CD2 4.15Å; D467-L470 HydrophobicContact CB-CB 3.91Å; D467-L470 PolarHBondContact O-N 3.44Å; D467-L470 PolarHBondContact OD1-N 3.18Å; D467-L470 VanDerWaalsContact OD1-N 3.07Å; D467-L470 WeakPolarHBondContact OD2-CB 3.35Å; L470-L474 HydrophobicContact CD1-CD1 4.29Å; L470-L474 HydrophobicContact CD1-CG 4.43Å; L470-L474 HydrophobicContact CG-CD1 4.22Å; L470-L474 VanDerWaalsContact O-CG 3.24Å; L470-L474 WeakPolarHBondContact O-CG 3.22Å; L470-L474 PolarHBondContact O-N 3.26Å; L470-R531 HydrophobicContact CD2-CB 4.28Å; L470-R531 HydrophobicContact CD2-CG 4.3Å; L470-L534 HydrophobicContact CD1-CB 4.13Å; L470-L534 HydrophobicContact CD1-CD1 4.05Å; L470-I535 HydrophobicContact CB-CD1 4.02Å; L470-I535 HydrophobicContact CD1-CD1 4.01Å; L470-I535 HydrophobicContact CD1-CG1 3.87Å
471C85.2Confident82.8Confident3 Ų331.7 Ų31.72%0.0218%0.175CC..Hα-helixtrans-65.6-48.9174.6-163.80000112.1K464 D467 E469 F473 L474 D475K464-C471 HydrophobicContact CB-CB 4.31Å; K464-C471 HydrophobicContact CD-CB 3.65Å; D467-C471 PolarHBondContact O-N 3.02Å; E469-C471 VanDerWaalsContact C-N 3.28Å; E469-C471 PolarHBondContact O-N 3.22Å; C471-F473 VanDerWaalsContact C-N 3.28Å; C471-F473 PolarHBondContact O-N 3.42Å; C471-L474 PolarHBondContact O-N 3.41Å; C471-L474 VanDerWaalsContact O-N 3.09Å; C471-D475 PolarHBondContact O-N 2.76Å
472D81.7Confident82.4Confident92 Ų9230.6 Ų30.649%0.49217%0.169SC..Hα-helixtrans-62.5-35.4178.5-74.4-32.9000112.1K464 P468 E469 D475 S476K464-D472 IonicContact NZ-OD1 3.22Å; K464-D472 PolarHBondContact NZ-OD1 3.4Å; K464-D472 IonicContact NZ-OD2 3.87Å; K464-D472 PolarHBondContact NZ-OD2 3.12Å; P468-D472 WeakPolarHBondContact O-CB 3.19Å; P468-D472 VanDerWaalsContact O-CG 3.3Å; P468-D472 PolarHBondContact O-N 2.89Å; P468-D472 VanDerWaalsContact O-OD2 3.09Å; E469-D472 PolarHBondContact O-N 3.42Å; D472-D475 PolarHBondContact O-N 3.02Å; D472-S476 WeakPolarHBondContact O-CB 2.96Å; D472-S476 PolarHBondContact O-N 3.15Å
473F83.5Confident81.6Confident30 Ų3030.6 Ų30.613%0.13217%0.169CC..Hα-helixtrans-60.2-50.6170.6173-97.7000111.2E469 C471 D475 S476 Q477 L534 I535 H539 I544E469-F473 WeakPolarHBondContact O-CB 3.2Å; E469-F473 PolarHBondContact O-N 3.45Å; C471-F473 VanDerWaalsContact C-N 3.28Å; C471-F473 PolarHBondContact O-N 3.42Å; F473-D475 VanDerWaalsContact C-N 3.35Å; F473-D475 PolarHBondContact O-N 2.87Å; F473-S476 PolarHBondContact O-N 2.71Å; F473-S476 VanDerWaalsContact O-N 3.13Å; F473-S476 PolarHBondContact O-OG 2.79Å; F473-Q477 HydrophobicContact CD2-CG 4.35Å; F473-Q477 HydrophobicContact CE1-CG 4.15Å; F473-Q477 HydrophobicContact CE2-CG 3.89Å; F473-Q477 HydrophobicContact CZ-CG 3.77Å; F473-Q477 WeakPolarHBondContact O-CG 3.46Å; F473-Q477 PolarHBondContact O-N 3.49Å; F473-L534 WeakPolarHBondContact CE1-O 3.5Å; F473-L534 WeakPolarHBondContact CZ-O 3.16Å; F473-I535 HydrophobicContact CB-CG1 4.4Å; F473-I535 HydrophobicContact CD1-CG1 4.29Å; F473-I535 HydrophobicContact CG-CG1 4.23Å; F473-H539 HydrophobicContact CZ-CB 4.45Å; F473-I544 HydrophobicContact CE1-CD1 4.05Å
474L81.1Confident81Confident0 Ų030.8 Ų30.80%017%0.17CC..Hα-helixtrans-62.6-39.3178.7-69.2167.4000112.1L463 L470 C471 S476 Q477 S479 G480 L482 F484 I544L463-L474 HydrophobicContact CD2-CD1 3.75Å; L470-L474 HydrophobicContact CD1-CD1 4.29Å; L470-L474 HydrophobicContact CD1-CG 4.43Å; L470-L474 HydrophobicContact CG-CD1 4.22Å; L470-L474 VanDerWaalsContact O-CG 3.24Å; L470-L474 WeakPolarHBondContact O-CG 3.22Å; L470-L474 PolarHBondContact O-N 3.26Å; C471-L474 PolarHBondContact O-N 3.41Å; C471-L474 VanDerWaalsContact O-N 3.09Å; L474-S476 VanDerWaalsContact C-N 3.34Å; L474-S476 PolarHBondContact O-N 2.69Å; L474-Q477 PolarHBondContact O-N 3.39Å; L474-S479 CarbonylContact O-C 3.57Å; L474-S479 VanDerWaalsContact O-CA 3.24Å; L474-S479 WeakPolarHBondContact O-CA 3.32Å; L474-S479 VanDerWaalsContact O-CB 3.24Å; L474-S479 WeakPolarHBondContact O-CB 3.31Å; L474-S479 PolarHBondContact O-N 3.49Å; L474-G480 PolarHBondContact O-N 3.33Å; L474-L482 HydrophobicContact CD1-CD2 3.84Å; L474-F484 HydrophobicContact CD1-CZ 4.35Å; L474-F484 HydrophobicContact CD2-CE1 4.26Å; L474-F484 HydrophobicContact CD2-CZ 4.03Å; L474-I544 HydrophobicContact CD2-CD1 3.97Å; L474-I544 HydrophobicContact CD2-CG2 4.29Å
475D77.6Confident80.9Confident73 Ų7329.4 Ų29.439%0.3916%0.164SC..Hα-helixtrans-62.7-39173.2-82.8-54.1000112.5C471 D472 F473 Q477 D478C471-D475 PolarHBondContact O-N 2.76Å; D472-D475 PolarHBondContact O-N 3.02Å; F473-D475 VanDerWaalsContact C-N 3.35Å; F473-D475 PolarHBondContact O-N 2.87Å; D475-Q477 VanDerWaalsContact C-N 3.33Å; D475-Q477 PolarHBondContact O-N 2.65Å; D475-D478 PolarHBondContact O-N 2.79Å
476S76Confident80.6Confident78 Ų7829.2 Ų29.255%0.54516%0.162SC..Hα-helixtrans-68.2-29.4176.979.20000113.7D472 F473 L474 D478D472-S476 WeakPolarHBondContact O-CB 2.96Å; D472-S476 PolarHBondContact O-N 3.15Å; F473-S476 PolarHBondContact O-N 2.71Å; F473-S476 VanDerWaalsContact O-N 3.13Å; F473-S476 PolarHBondContact O-OG 2.79Å; L474-S476 VanDerWaalsContact C-N 3.34Å; L474-S476 PolarHBondContact O-N 2.69Å; S476-D478 VanDerWaalsContact C-N 3.32Å; S476-D478 PolarHBondContact O-N 3.29Å
477Q73.2Confident80.3Confident50 Ų5029 Ų2923%0.23416%0.16CC..THydrogen-bonded Turntrans-93.926.4179-61.2-62.9-11.300113.1F473 L474 D475 S479 H539 I544F473-Q477 HydrophobicContact CD2-CG 4.35Å; F473-Q477 HydrophobicContact CE1-CG 4.15Å; F473-Q477 HydrophobicContact CE2-CG 3.89Å; F473-Q477 HydrophobicContact CZ-CG 3.77Å; F473-Q477 WeakPolarHBondContact O-CG 3.46Å; F473-Q477 PolarHBondContact O-N 3.49Å; L474-Q477 PolarHBondContact O-N 3.39Å; D475-Q477 VanDerWaalsContact C-N 3.33Å; D475-Q477 PolarHBondContact O-N 2.65Å; Q477-S479 PolarHBondContact O-N 3.22Å; Q477-S479 PolarHBondContact O-OG 3.21Å; Q477-H539 WeakPolarHBondContact CG-O 3.17Å; Q477-H539 PolarHBondContact OE1-O 3.3Å; Q477-I544 HydrophobicContact CB-CD1 3.94Å; Q477-I544 HydrophobicContact CG-CD1 4.39Å
478D67.3Low80.6Confident67 Ų6728.4 Ų28.436%0.35816%0.156SC..THydrogen-bonded Turntrans51.826.2-177.2-74.2-0.9000114.1R226 D475 S476R226-D478 IonicContact CZ-OD1 2.71Å; R226-D478 IonicContact NH1-OD1 3.59Å; R226-D478 PolarHBondContact NH1-OD1 3.4Å; R226-D478 IonicContact NH1-OD2 3.44Å; R226-D478 PolarHBondContact NH1-OD2 3.49Å; R226-D478 IonicContact NH2-OD1 2.8Å; R226-D478 PolarHBondContact NH2-OD1 3.47Å; D475-D478 PolarHBondContact O-N 2.79Å; S476-D478 VanDerWaalsContact C-N 3.32Å; S476-D478 PolarHBondContact O-N 3.29Å
479S72.4Confident81Confident0 Ų026.2 Ų26.20%014%0.142CC..  trans-114-8.8-168.4-62.40000113.9L474 Q477 S481 L482 F541L474-S479 CarbonylContact O-C 3.57Å; L474-S479 VanDerWaalsContact O-CA 3.24Å; L474-S479 WeakPolarHBondContact O-CA 3.32Å; L474-S479 VanDerWaalsContact O-CB 3.24Å; L474-S479 WeakPolarHBondContact O-CB 3.31Å; L474-S479 PolarHBondContact O-N 3.49Å; Q477-S479 PolarHBondContact O-N 3.22Å; Q477-S479 PolarHBondContact O-OG 3.21Å; S479-S481 PolarHBondContact O-N 2.77Å; S479-S481 VanDerWaalsContact O-N 3.09Å; S479-L482 PolarHBondContact O-N 3.46Å; S479-F541 VanDerWaalsContact OG-CD2 3.3Å; S479-F541 WeakPolarHBondContact OG-CD2 3.48Å
480G67.7Low81.2Confident9 Ų921.8 Ų21.89%0.09312%0.122CC..THydrogen-bonded Turntrans-62.9-12.6-174.600000116.7L474 L482L474-G480 PolarHBondContact O-N 3.33Å; G480-L482 PolarHBondContact O-N 2.94Å
481S73.2Confident81.5Confident18 Ų1821.9 Ų21.913%0.12612%0.122CC..THydrogen-bonded Turntrans-75.3-2167.762.10000113.8S479 C483S479-S481 PolarHBondContact O-N 2.77Å; S479-S481 VanDerWaalsContact O-N 3.09Å; S481-C483 PolarHBondContact O-N 3.48Å; S481-C483 PolarHBondContact OG-SG 3.42Å
482L82.6Confident82.1Confident1 Ų122 Ų221%0.00512%0.122CC..  trans53.721.9174.9-52.5-176.7000115.2L456 L459 L463 L474 S479 G480 F484 C485L456-L482 HydrophobicContact CD2-CB 4.11Å; L456-L482 WeakPolarHBondContact CD2-O 3.48Å; L459-L482 HydrophobicContact CB-CD1 4.1Å; L459-L482 HydrophobicContact CD2-CD1 3.85Å; L459-L482 HydrophobicContact CG-CD1 3.65Å; L463-L482 HydrophobicContact CD2-CD1 4.31Å; L463-L482 HydrophobicContact CD2-CD2 4.17Å; L474-L482 HydrophobicContact CD1-CD2 3.84Å; S479-L482 PolarHBondContact O-N 3.46Å; G480-L482 PolarHBondContact O-N 2.94Å; L482-F484 HydrophobicContact CB-CZ 4.44Å; L482-F484 HydrophobicContact CD2-CE1 4.21Å; L482-F484 HydrophobicContact CD2-CE2 4.44Å; L482-F484 HydrophobicContact CD2-CZ 3.64Å; L482-F484 PolarHBondContact O-N 2.8Å; L482-C485 VanDerWaalsContact O-CB 3.29Å; L482-C485 WeakPolarHBondContact O-CB 3.29Å; L482-C485 PolarHBondContact O-N 3.3Å
483C79.4Confident82.9Confident1 Ų117.7 Ų17.71%0.00710%0.099CC..G310 helixtrans-59.3-18.6-172.9-59.70000114.6S481 C485 F486S481-C483 PolarHBondContact O-N 3.48Å; S481-C483 PolarHBondContact OG-SG 3.42Å; C483-C485 PolarHBondContact O-N 2.7Å; C483-F486 WeakPolarHBondContact O-CB 3.29Å; C483-F486 PolarHBondContact O-N 3.3Å; C483-F486 VanDerWaalsContact O-N 3.13Å
484F79.8Confident83.5Confident4 Ų416.6 Ų16.62%0.0189%0.094CC..G310 helixtrans-64-25.9170.250.6-96000112.9L474 L482 F486 L527 F541 I544 L545 I548L474-F484 HydrophobicContact CD1-CZ 4.35Å; L474-F484 HydrophobicContact CD2-CE1 4.26Å; L474-F484 HydrophobicContact CD2-CZ 4.03Å; L482-F484 HydrophobicContact CB-CZ 4.44Å; L482-F484 HydrophobicContact CD2-CE1 4.21Å; L482-F484 HydrophobicContact CD2-CE2 4.44Å; L482-F484 HydrophobicContact CD2-CZ 3.64Å; L482-F484 PolarHBondContact O-N 2.8Å; F484-F486 VanDerWaalsContact C-N 3.3Å; F484-F486 PolarHBondContact O-N 2.89Å; F484-L527 HydrophobicContact CE2-CD2 3.83Å; F484-F541 HydrophobicContact CD1-CE2 4.3Å; F484-I544 HydrophobicContact CD1-CG2 4.16Å; F484-I544 HydrophobicContact CE1-CG2 4.05Å; F484-I544 HydrophobicContact CZ-CG2 4.33Å; F484-L545 HydrophobicContact CB-CD1 3.65Å; F484-I548 HydrophobicContact CB-CG2 4.26Å; F484-I548 HydrophobicContact CD2-CB 4.5Å; F484-I548 HydrophobicContact CD2-CD1 4.11Å; F484-I548 HydrophobicContact CD2-CG1 3.82Å; F484-I548 HydrophobicContact CD2-CG2 4.2Å; F484-I548 HydrophobicContact CE2-CD1 4.27Å; F484-I548 HydrophobicContact CE2-CG1 4.31Å; F484-I548 HydrophobicContact CG-CG1 4.38Å
485C87.4Confident84Confident0 Ų018.3 Ų18.30%010%0.101CC..G310 helixtrans-78.3-5.7172.5-60.50000113.6L456 L459 L482 C483 R487 W488 L489L456-C485 HydrophobicContact CD2-CB 4.12Å; L459-C485 HydrophobicContact CD2-CB 3.93Å; L482-C485 VanDerWaalsContact O-CB 3.29Å; L482-C485 WeakPolarHBondContact O-CB 3.29Å; L482-C485 PolarHBondContact O-N 3.3Å; C483-C485 PolarHBondContact O-N 2.7Å; C485-R487 VanDerWaalsContact C-N 3.3Å; C485-R487 PolarHBondContact O-N 3.49Å; C485-W488 HydrophobicContact CB-CD2 4.4Å; C485-W488 HydrophobicContact CB-CE3 3.96Å; C485-W488 WeakPolarHBondContact O-CA 3.39Å; C485-W488 VanDerWaalsContact O-CB 3.25Å; C485-W488 WeakPolarHBondContact O-CB 3.47Å; C485-W488 PolarHBondContact O-N 3.07Å; C485-L489 PolarHBondContact O-N 3.03Å
486F84.1Confident84.8Confident3 Ų314.8 Ų14.81%0.0138%0.082CC..Hα-helixtrans-58.5-39.7-174.8-174.9-81.8000112.6F206 P210 M452 L456 C483 F484 W488 L489 L490F206-F486 HydrophobicContact CE1-CD2 4.16Å; F206-F486 HydrophobicContact CE1-CE1 4.42Å; F206-F486 AromaticContact CE1-CE2 3.99Å; F206-F486 HydrophobicContact CE1-CE2 3.99Å; F206-F486 HydrophobicContact CE1-CG 4.44Å; F206-F486 HydrophobicContact CE1-CZ 4.14Å; F206-F486 AromaticContact CE2-CD1 3.99Å; F206-F486 HydrophobicContact CE2-CD1 3.99Å; F206-F486 HydrophobicContact CE2-CE1 4.3Å; F206-F486 HydrophobicContact CE2-CG 4.23Å; F206-F486 HydrophobicContact CZ-CB 4.09Å; F206-F486 AromaticContact CZ-CD1 3.59Å; F206-F486 HydrophobicContact CZ-CD1 3.59Å; F206-F486 AromaticContact CZ-CD2 3.65Å; F206-F486 HydrophobicContact CZ-CD2 3.65Å; F206-F486 AromaticContact CZ-CE1 3.81Å; F206-F486 HydrophobicContact CZ-CE1 3.81Å; F206-F486 AromaticContact CZ-CE2 3.85Å; F206-F486 HydrophobicContact CZ-CE2 3.85Å; F206-F486 AromaticContact CZ-CG 3.51Å; F206-F486 HydrophobicContact CZ-CG 3.51Å; F206-F486 AromaticContact CZ-CZ 3.94Å; F206-F486 HydrophobicContact CZ-CZ 3.94Å; P210-F486 HydrophobicContact CB-CD1 4.01Å; P210-F486 HydrophobicContact CB-CE1 3.49Å; P210-F486 VanDerWaalsContact CB-CE1 3.49Å; P210-F486 HydrophobicContact CB-CZ 4.37Å; P210-F486 HydrophobicContact CG-CE1 3.88Å; M452-F486 HydrophobicContact CB-CD2 4.36Å; M452-F486 HydrophobicContact CB-CE2 3.73Å; M452-F486 HydrophobicContact CB-CZ 4.4Å; M452-F486 HydrophobicContact CE-CB 4.42Å; M452-F486 HydrophobicContact CE-CD1 3.91Å; M452-F486 HydrophobicContact CE-CD2 3.4Å; M452-F486 VanDerWaalsContact CE-CD2 3.4Å; M452-F486 HydrophobicContact CE-CE1 3.98Å; M452-F486 HydrophobicContact CE-CE2 3.5Å; M452-F486 HydrophobicContact CE-CG 3.62Å; M452-F486 HydrophobicContact CE-CZ 3.79Å; M452-F486 WeakPolarHBondContact CE-O 3.35Å; M452-F486 HydrophobicContact CG-CE2 3.93Å; M452-F486 HydrophobicContact CG-CZ 4.12Å; L456-F486 HydrophobicContact CD1-CD2 4.19Å; C483-F486 WeakPolarHBondContact O-CB 3.29Å; C483-F486 PolarHBondContact O-N 3.3Å; C483-F486 VanDerWaalsContact O-N 3.13Å; F484-F486 VanDerWaalsContact C-N 3.3Å; F484-F486 PolarHBondContact O-N 2.89Å; F486-W488 VanDerWaalsContact C-N 3.29Å; F486-W488 PolarHBondContact O-N 3.38Å; F486-L489 PolarHBondContact O-N 3.02Å; F486-L490 HydrophobicContact CD1-CB 4.43Å; F486-L490 HydrophobicContact CE1-CB 4.28Å; F486-L490 HydrophobicContact CE1-CD2 4.07Å; F486-L490 WeakPolarHBondContact O-CB 3.37Å; F486-L490 PolarHBondContact O-N 3.37Å
487R85.6Confident85.8Confident16 Ų1611.2 Ų11.26%0.066%0.057CC..Hα-helixtrans-62.5-37.6175.5-173.3177.275.8-152.24.5112C485 I491 E496 N549 T552C485-R487 VanDerWaalsContact C-N 3.3Å; C485-R487 PolarHBondContact O-N 3.49Å; R487-I491 HydrophobicContact CG-CD1 4.17Å; R487-I491 HydrophobicContact CG-CG1 4.31Å; R487-I491 WeakPolarHBondContact O-CG1 3.46Å; R487-I491 PolarHBondContact O-N 2.71Å; R487-E496 IonicContact CZ-OE1 3.72Å; R487-E496 IonicContact CZ-OE2 3.9Å; R487-E496 IonicContact NE-OE1 3.27Å; R487-E496 PolarHBondContact NE-OE1 3.44Å; R487-E496 IonicContact NE-OE2 3.08Å; R487-E496 VanDerWaalsContact NH2-CD 3.33Å; R487-E496 IonicContact NH2-OE1 3.83Å; R487-E496 PolarHBondContact NH2-OE1 3.29Å; R487-E496 VanDerWaalsContact NH2-OE1 3.12Å; R487-E496 IonicContact NH2-OE2 2.76Å; R487-E496 PolarHBondContact NH2-OE2 3.3Å; R487-N549 PolarHBondContact NH1-OD1 2.86Å; R487-T552 PolarHBondContact NH2-OG1 2.97Å
488W95.1Very high86.9Confident1 Ų111 Ų110%0.0046%0.061CC..Hα-helixtrans-63.1-44.1179.2-60.3-6.3000111.4C485 F486 W492 F493 E496 A523 I526 L527 I548 L551C485-W488 HydrophobicContact CB-CD2 4.4Å; C485-W488 HydrophobicContact CB-CE3 3.96Å; C485-W488 WeakPolarHBondContact O-CA 3.39Å; C485-W488 VanDerWaalsContact O-CB 3.25Å; C485-W488 WeakPolarHBondContact O-CB 3.47Å; C485-W488 PolarHBondContact O-N 3.07Å; F486-W488 VanDerWaalsContact C-N 3.29Å; F486-W488 PolarHBondContact O-N 3.38Å; W488-W492 CarbonylContact O-C 3.47Å; W488-W492 WeakPolarHBondContact O-CA 3.33Å; W488-W492 PolarHBondContact O-N 3.18Å; W488-W492 VanDerWaalsContact O-N 3.11Å; W488-F493 HydrophobicContact CB-CD1 3.67Å; W488-F493 HydrophobicContact CB-CE1 3.59Å; W488-F493 HydrophobicContact CB-CG 4.41Å; W488-F493 HydrophobicContact CB-CZ 4.26Å; W488-F493 HydrophobicContact CD2-CD1 4.27Å; W488-F493 HydrophobicContact CD2-CE1 4.06Å; W488-F493 AromaticContact CE3-CE1 3.96Å; W488-F493 HydrophobicContact CE3-CE1 3.96Å; W488-F493 AromaticContact CG-CD1 3.91Å; W488-F493 HydrophobicContact CG-CD1 3.91Å; W488-F493 AromaticContact CG-CE1 3.97Å; W488-F493 HydrophobicContact CG-CE1 3.97Å; W488-F493 PolarHBondContact O-N 3.43Å; W488-E496 HydrophobicContact CG-CG 4.23Å; W488-E496 PolarHBondContact NE1-OE2 2.9Å; W488-A523 HydrophobicContact CE3-CB 4.04Å; W488-A523 HydrophobicContact CZ3-CB 4.34Å; W488-I526 HydrophobicContact CH2-CB 4.01Å; W488-I526 HydrophobicContact CH2-CG2 3.39Å; W488-I526 HydrophobicContact CZ2-CG2 3.94Å; W488-I526 HydrophobicContact CZ3-CB 4.13Å; W488-I526 HydrophobicContact CZ3-CG2 4.03Å; W488-L527 HydrophobicContact CH2-CD2 3.91Å; W488-L527 HydrophobicContact CZ3-CD2 3.91Å; W488-L527 HydrophobicContact CZ3-CG 4.12Å; W488-I548 HydrophobicContact CH2-CD1 3.89Å; W488-I548 HydrophobicContact CH2-CG2 4.42Å; W488-I548 HydrophobicContact CZ2-CD1 4.11Å; W488-I548 HydrophobicContact CZ2-CG2 3.72Å; W488-L551 HydrophobicContact CZ2-CD1 4.43Å
489L94.9Very high88.3Confident0 Ų09.7 Ų9.70%05%0.052CC..Hα-helixtrans-81.2-33.8-175.6-57.7177.1000112.9N444 M452 Q455 L456 L459 C485 F486 L520N444-L489 PolarHBondContact ND2-O 2.95Å; N444-L489 VanDerWaalsContact ND2-O 3.13Å; M452-L489 HydrophobicContact CE-CB 3.94Å; M452-L489 HydrophobicContact SD-CB 4.43Å; Q455-L489 HydrophobicContact CB-CD1 4.13Å; L456-L489 HydrophobicContact CD2-CD1 3.74Å; L456-L489 HydrophobicContact CG-CD1 4.16Å; L459-L489 HydrophobicContact CD2-CD1 4.38Å; C485-L489 PolarHBondContact O-N 3.03Å; F486-L489 PolarHBondContact O-N 3.02Å; L489-L520 HydrophobicContact CD1-CD2 4.35Å; L489-L520 HydrophobicContact CD2-CD2 3.77Å
490L91.1Very high89.4Confident11 Ų1114 Ų146%0.0587%0.072CC..Hα-helixtrans-65.6-47.1178.4-176.871.8000112.4P210 N444 F445 M452 F486P210-L490 HydrophobicContact CG-CD2 3.86Å; N444-L490 HydrophobicContact CB-CD1 4.2Å; N444-L490 VanDerWaalsContact O-CD1 3.31Å; N444-L490 WeakPolarHBondContact O-CD1 3.22Å; F445-L490 HydrophobicContact CD1-CD1 3.85Å; F445-L490 HydrophobicContact CE1-CD1 3.62Å; F445-L490 HydrophobicContact CE1-CD2 4.37Å; F445-L490 HydrophobicContact CE1-CG 3.86Å; F445-L490 HydrophobicContact CE2-CD1 4.44Å; F445-L490 HydrophobicContact CG-CD1 4.37Å; F445-L490 HydrophobicContact CZ-CD1 3.94Å; F445-L490 HydrophobicContact CZ-CG 4.09Å; F445-L490 WeakPolarHBondContact CZ-O 3.42Å; M452-L490 HydrophobicContact CE-CB 3.92Å; M452-L490 HydrophobicContact SD-CB 4.34Å; M452-L490 HydrophobicContact SD-CD1 4.28Å; F486-L490 HydrophobicContact CD1-CB 4.43Å; F486-L490 HydrophobicContact CE1-CB 4.28Å; F486-L490 HydrophobicContact CE1-CD2 4.07Å; F486-L490 WeakPolarHBondContact O-CB 3.37Å; F486-L490 PolarHBondContact O-N 3.37Å
491I93Very high90.9Very high2 Ų216 Ų161%0.018%0.08CC..THydrogen-bonded Turntrans-116.229.1-174.757.6167000112.9D415 L416 R487 F493 K494 R495D415-I491 HydrophobicContact CB-CG2 4.5Å; L416-I491 HydrophobicContact CD2-CB 4.31Å; R487-I491 HydrophobicContact CG-CD1 4.17Å; R487-I491 HydrophobicContact CG-CG1 4.31Å; R487-I491 WeakPolarHBondContact O-CG1 3.46Å; R487-I491 PolarHBondContact O-N 2.71Å; I491-F493 VanDerWaalsContact C-N 3.33Å; I491-F493 PolarHBondContact O-N 3.25Å; I491-F493 VanDerWaalsContact O-N 3.16Å; I491-K494 HydrophobicContact CB-CB 4.43Å; I491-K494 HydrophobicContact CD1-CB 4.35Å; I491-K494 HydrophobicContact CG1-CB 4.49Å; I491-K494 WeakPolarHBondContact O-CB 3.28Å; I491-K494 PolarHBondContact O-N 3.22Å; I491-R495 HydrophobicContact CD1-CB 4.24Å; I491-R495 HydrophobicContact CD1-CG 3.68Å
492W97.2Very high92.1Very high7 Ų715.1 Ų15.13%0.0278%0.075CC..THydrogen-bonded Turntrans37.758.9178.1-78.718.6000113.2F437 L440 V441 W488 K494 I502 W506 L509 W510F437-W492 HydrophobicContact CD2-CZ3 4.5Å; F437-W492 AromaticContact CE2-CD2 3.87Å; F437-W492 HydrophobicContact CE2-CD2 3.87Å; F437-W492 AromaticContact CE2-CE3 3.46Å; F437-W492 HydrophobicContact CE2-CE3 3.46Å; F437-W492 VanDerWaalsContact CE2-CE3 3.46Å; F437-W492 HydrophobicContact CE2-CH2 4.23Å; F437-W492 AromaticContact CE2-CZ3 3.67Å; F437-W492 HydrophobicContact CE2-CZ3 3.67Å; F437-W492 HydrophobicContact CZ-CB 4.45Å; F437-W492 HydrophobicContact CZ-CD2 4.18Å; F437-W492 AromaticContact CZ-CE3 3.82Å; F437-W492 HydrophobicContact CZ-CE3 3.82Å; F437-W492 HydrophobicContact CZ-CG 4.47Å; F437-W492 HydrophobicContact CZ-CZ3 4.42Å; L440-W492 HydrophobicContact CB-CH2 4.06Å; L440-W492 HydrophobicContact CB-CZ2 4.31Å; L440-W492 HydrophobicContact CD1-CH2 3.91Å; L440-W492 HydrophobicContact CD1-CZ3 4.28Å; V441-W492 HydrophobicContact CG1-CD2 4.13Å; V441-W492 HydrophobicContact CG1-CH2 4.36Å; V441-W492 HydrophobicContact CG1-CZ2 3.54Å; W488-W492 CarbonylContact O-C 3.47Å; W488-W492 WeakPolarHBondContact O-CA 3.33Å; W488-W492 PolarHBondContact O-N 3.18Å; W488-W492 VanDerWaalsContact O-N 3.11Å; W492-K494 PolarHBondContact O-N 2.92Å; W492-K494 VanDerWaalsContact O-N 3.14Å; W492-I502 WeakPolarHBondContact O-CD1 3.36Å; W492-W506 PolarHBondContact O-NE1 2.72Å; W492-L509 HydrophobicContact CD2-CD1 4.1Å; W492-L509 HydrophobicContact CE3-CB 3.98Å; W492-L509 HydrophobicContact CE3-CD1 3.58Å; W492-L509 HydrophobicContact CE3-CG 4.41Å; W492-L509 HydrophobicContact CH2-CB 4.46Å; W492-L509 HydrophobicContact CZ3-CB 3.63Å; W492-L509 HydrophobicContact CZ3-CD1 4.11Å; W492-L509 HydrophobicContact CZ3-CG 4.48Å; W492-W510 AromaticContact CZ3-CD1 3.73Å; W492-W510 AromaticContact CZ3-NE1 3.8Å
493F98Very high92.9Very high0 Ų015.1 Ų15.10%07%0.074CC..THydrogen-bonded Turntrans61.312.8176.5-46.7-95.1000117.1W488 I491 R495 E496 F497 L505 H519 I522 A523 I526W488-F493 HydrophobicContact CB-CD1 3.67Å; W488-F493 HydrophobicContact CB-CE1 3.59Å; W488-F493 HydrophobicContact CB-CG 4.41Å; W488-F493 HydrophobicContact CB-CZ 4.26Å; W488-F493 HydrophobicContact CD2-CD1 4.27Å; W488-F493 HydrophobicContact CD2-CE1 4.06Å; W488-F493 AromaticContact CE3-CE1 3.96Å; W488-F493 HydrophobicContact CE3-CE1 3.96Å; W488-F493 AromaticContact CG-CD1 3.91Å; W488-F493 HydrophobicContact CG-CD1 3.91Å; W488-F493 AromaticContact CG-CE1 3.97Å; W488-F493 HydrophobicContact CG-CE1 3.97Å; W488-F493 PolarHBondContact O-N 3.43Å; I491-F493 VanDerWaalsContact C-N 3.33Å; I491-F493 PolarHBondContact O-N 3.25Å; I491-F493 VanDerWaalsContact O-N 3.16Å; F493-R495 PolarHBondContact O-N 3.03Å; F493-E496 HydrophobicContact CB-CG 4.12Å; F493-E496 HydrophobicContact CD1-CG 4.33Å; F493-E496 PolarHBondContact O-N 2.72Å; F493-F497 HydrophobicContact CB-CD2 3.7Å; F493-F497 HydrophobicContact CB-CE2 3.78Å; F493-F497 HydrophobicContact CD1-CE2 4.37Å; F493-F497 HydrophobicContact CG-CE2 4.22Å; F493-L505 HydrophobicContact CB-CD2 3.83Å; F493-L505 HydrophobicContact CD2-CD2 4.03Å; F493-L505 HydrophobicContact CG-CD2 4.17Å; F493-H519 HydrophobicContact CE2-CB 4.48Å; F493-H519 WeakPolarHBondContact CZ-O 3.33Å; F493-I522 HydrophobicContact CD1-CG2 4.22Å; F493-I522 HydrophobicContact CD2-CG2 4.06Å; F493-I522 HydrophobicContact CE1-CG2 3.78Å; F493-I522 HydrophobicContact CE2-CB 3.93Å; F493-I522 HydrophobicContact CE2-CG2 3.63Å; F493-I522 HydrophobicContact CG-CG2 4.37Å; F493-I522 HydrophobicContact CZ-CB 3.79Å; F493-I522 HydrophobicContact CZ-CG2 3.49Å; F493-I522 VanDerWaalsContact CZ-CG2 3.49Å; F493-A523 HydrophobicContact CE1-CB 4.22Å; F493-A523 HydrophobicContact CZ-CB 4.01Å; F493-I526 HydrophobicContact CD1-CD1 3.85Å; F493-I526 HydrophobicContact CE1-CD1 3.69Å
494K96Very high93.8Very high8 Ų816 Ų164%0.0358%0.08CC..THydrogen-bonded Turntrans-61.5-3-179.5176.956.4-178.763.80116.4D376 D415 P419 I491 W492 I502 W506D376-K494 IonicContact OD1-NZ 2.74Å; D376-K494 PolarHBondContact OD1-NZ 3.02Å; D376-K494 WeakPolarHBondContact OD2-CE 3.45Å; D376-K494 IonicContact OD2-NZ 3.83Å; D376-K494 PolarHBondContact OD2-NZ 3.46Å; D415-K494 HydrophobicContact CB-CG 3.87Å; D415-K494 WeakPolarHBondContact O-CG 3.46Å; D415-K494 IonicContact OD1-NZ 3.93Å; P419-K494 HydrophobicContact CG-CD 3.83Å; I491-K494 HydrophobicContact CB-CB 4.43Å; I491-K494 HydrophobicContact CD1-CB 4.35Å; I491-K494 HydrophobicContact CG1-CB 4.49Å; I491-K494 WeakPolarHBondContact O-CB 3.28Å; I491-K494 PolarHBondContact O-N 3.22Å; W492-K494 PolarHBondContact O-N 2.92Å; W492-K494 VanDerWaalsContact O-N 3.14Å; K494-I502 HydrophobicContact CB-CD1 4.28Å; K494-I502 HydrophobicContact CB-CG1 4.19Å; K494-I502 HydrophobicContact CD-CB 4.45Å; K494-I502 HydrophobicContact CD-CG1 3.83Å; K494-I502 HydrophobicContact CD-CG2 4.06Å; K494-W506 HydrophobicContact CB-CH2 4.46Å; K494-W506 HydrophobicContact CB-CZ2 3.85Å; K494-W506 HydrophobicContact CD-CH2 4.24Å; K494-W506 HydrophobicContact CD-CZ2 4.33Å; K494-W506 HydrophobicContact CG-CH2 4.32Å; K494-W506 HydrophobicContact CG-CZ2 4.19Å
495R93.3Very high94.7Very high35 Ų3515.8 Ų15.813%0.1328%0.079CC..THydrogen-bonded Turntrans-112.3-4.7171.3-78.3-66.1-176.4-76.8-3.6114.5Y211 D376 D415 I491 F493 T552Y211-R495 HydrophobicContact CE2-CG 4.24Å; Y211-R495 PolarHBondContact OH-NE 2.76Å; Y211-R495 PolarHBondContact OH-NH2 3.21Å; D376-R495 IonicContact OD1-NH1 3.23Å; D415-R495 IonicContact OD1-CZ 2.67Å; D415-R495 IonicContact OD1-NH1 3.44Å; D415-R495 PolarHBondContact OD1-NH1 3.08Å; D415-R495 IonicContact OD1-NH2 2.68Å; D415-R495 PolarHBondContact OD1-NH2 3.37Å; D415-R495 IonicContact OD2-CZ 4Å; D415-R495 VanDerWaalsContact OD2-CZ 3.31Å; D415-R495 IonicContact OD2-NH1 2.72Å; D415-R495 PolarHBondContact OD2-NH1 2.68Å; D415-R495 IonicContact OD2-NH2 3.58Å; D415-R495 PolarHBondContact OD2-NH2 3.45Å; I491-R495 HydrophobicContact CD1-CB 4.24Å; I491-R495 HydrophobicContact CD1-CG 3.68Å; F493-R495 PolarHBondContact O-N 3.03Å; R495-T552 WeakPolarHBondContact O-CG2 3.27Å
496E94.1Very high95.2Very high0 Ų015.8 Ų15.80%08%0.079CC..THydrogen-bonded Turntrans-100.8-29.6-176-33.8-48.5126.400111.9R487 W488 F493 M553 L555R487-E496 IonicContact CZ-OE1 3.72Å; R487-E496 IonicContact CZ-OE2 3.9Å; R487-E496 IonicContact NE-OE1 3.27Å; R487-E496 PolarHBondContact NE-OE1 3.44Å; R487-E496 IonicContact NE-OE2 3.08Å; R487-E496 VanDerWaalsContact NH2-CD 3.33Å; R487-E496 IonicContact NH2-OE1 3.83Å; R487-E496 PolarHBondContact NH2-OE1 3.29Å; R487-E496 VanDerWaalsContact NH2-OE1 3.12Å; R487-E496 IonicContact NH2-OE2 2.76Å; R487-E496 PolarHBondContact NH2-OE2 3.3Å; W488-E496 HydrophobicContact CG-CG 4.23Å; W488-E496 PolarHBondContact NE1-OE2 2.9Å; F493-E496 HydrophobicContact CB-CG 4.12Å; F493-E496 HydrophobicContact CD1-CG 4.33Å; F493-E496 PolarHBondContact O-N 2.72Å; E496-M553 WeakPolarHBondContact O-CA 3.41Å; E496-M553 PolarHBondContact O-N 3.32Å; E496-L555 HydrophobicContact CB-CD1 3.96Å
497F96.9Very high95.9Very high3 Ų315.7 Ų15.71%0.0138%0.078CC..SBendtrans-109.7158.1-175.8-69.3-74.6000113.3F493 D501 L505 I526 M553 L555 L557 V560F493-F497 HydrophobicContact CB-CD2 3.7Å; F493-F497 HydrophobicContact CB-CE2 3.78Å; F493-F497 HydrophobicContact CD1-CE2 4.37Å; F493-F497 HydrophobicContact CG-CE2 4.22Å; F497-D501 HydrophobicContact CB-CB 3.86Å; F497-D501 HydrophobicContact CD1-CB 4.25Å; F497-D501 HydrophobicContact CG-CB 4.41Å; F497-L505 HydrophobicContact CD2-CD2 3.64Å; F497-L505 HydrophobicContact CE2-CD2 3.62Å; F497-I526 HydrophobicContact CE2-CD1 4.49Å; F497-I526 HydrophobicContact CZ-CD1 4.4Å; F497-M553 VanDerWaalsContact C-SD 3.59Å; F497-M553 WeakPolarHBondContact O-CE 3.39Å; F497-M553 VanDerWaalsContact O-SD 3.37Å; F497-L555 HydrophobicContact CD1-CB 4.17Å; F497-L555 HydrophobicContact CE1-CB 3.55Å; F497-L555 HydrophobicContact CE1-CD1 4.26Å; F497-L555 HydrophobicContact CE2-CD1 4.31Å; F497-L555 HydrophobicContact CZ-CB 4.03Å; F497-L555 HydrophobicContact CZ-CD1 3.92Å; F497-L557 HydrophobicContact CD1-CB 4.16Å; F497-L557 HydrophobicContact CD1-CD1 4.25Å; F497-L557 HydrophobicContact CE1-CB 4.05Å; F497-L557 HydrophobicContact CE1-CD1 3.96Å; F497-L557 HydrophobicContact CZ-CD1 4.19Å; F497-V560 HydrophobicContact CZ-CG1 4.35Å; F497-V560 HydrophobicContact CZ-CG2 4.46Å
498S96.8Very high96.5Very high45 Ų4514.9 Ų14.932%0.3158%0.075SC..  trans-66167.6175.890.20000112.4E500 D501 I502S498-E500 VanDerWaalsContact C-N 3.28Å; S498-E500 PolarHBondContact O-N 3.14Å; S498-E500 PolarHBondContact OG-N 2.64Å; S498-D501 WeakPolarHBondContact CB-OD2 3.38Å; S498-D501 PolarHBondContact O-N 3.33Å; S498-D501 PolarHBondContact OG-N 2.94Å; S498-D501 PolarHBondContact OG-OD2 3.28Å; S498-I502 WeakPolarHBondContact O-CG2 3.44Å; S498-I502 PolarHBondContact O-N 3.08Å
499F96.1Very high96.7Very high39 Ų3915.2 Ų15.217%0.1718%0.077CC..Hα-helixtrans-66.1-25.4-178.5-157.3-80.3000113.4D376 N379 P419 F422 I502 L503D376-F499 HydrophobicContact CB-CE2 4.43Å; N379-F499 HydrophobicContact CB-CD2 4.49Å; N379-F499 WeakPolarHBondContact ND2-CD1 3.37Å; N379-F499 WeakPolarHBondContact ND2-CD2 3.32Å; N379-F499 WeakPolarHBondContact ND2-CE1 3.34Å; N379-F499 VanDerWaalsContact ND2-CE2 3.32Å; N379-F499 WeakPolarHBondContact ND2-CE2 3.17Å; N379-F499 WeakPolarHBondContact ND2-CG 3.43Å; N379-F499 WeakPolarHBondContact ND2-CZ 3.33Å; P419-F499 HydrophobicContact CB-CZ 4.24Å; P419-F499 HydrophobicContact CG-CE2 4.43Å; P419-F499 HydrophobicContact CG-CZ 4.28Å; F422-F499 HydrophobicContact CB-CE1 3.97Å; F422-F499 HydrophobicContact CB-CZ 3.88Å; F422-F499 AromaticContact CD1-CE1 3.61Å; F422-F499 HydrophobicContact CD1-CE1 3.61Å; F422-F499 HydrophobicContact CD1-CZ 4.39Å; F422-F499 AromaticContact CD2-CE1 3.9Å; F422-F499 HydrophobicContact CD2-CE1 3.9Å; F422-F499 HydrophobicContact CD2-CZ 4.21Å; F422-F499 AromaticContact CE1-CE1 3.99Å; F422-F499 HydrophobicContact CE1-CE1 3.99Å; F422-F499 HydrophobicContact CE2-CE1 4.26Å; F422-F499 AromaticContact CG-CE1 3.56Å; F422-F499 HydrophobicContact CG-CE1 3.56Å; F422-F499 AromaticContact CG-CZ 3.92Å; F422-F499 HydrophobicContact CG-CZ 3.92Å; F422-F499 HydrophobicContact CZ-CE1 4.3Å; F499-I502 WeakPolarHBondContact O-CG2 3.16Å; F499-L503 VanDerWaalsContact O-CG 3.3Å; F499-L503 WeakPolarHBondContact O-CG 3.4Å
500E96.1Very high96.9Very high91 Ų9115.7 Ų15.743%0.4258%0.079SC..Hα-helixtrans-86.4-33.1173.5-76.3-63.2146.600112.6R309 S498 T504R309-E500 IonicContact CZ-OE2 2.87Å; R309-E500 IonicContact NH1-OE1 3.06Å; R309-E500 IonicContact NH1-OE2 3.66Å; R309-E500 PolarHBondContact NH1-OE2 3.06Å; R309-E500 IonicContact NH2-OE2 3.81Å; R309-E500 PolarHBondContact NH2-OE2 3.43Å; S498-E500 VanDerWaalsContact C-N 3.28Å; S498-E500 PolarHBondContact O-N 3.14Å; S498-E500 PolarHBondContact OG-N 2.64Å; E500-T504 PolarHBondContact O-N 3.07Å; E500-T504 PolarHBondContact O-OG1 3.03Å; E500-T504 VanDerWaalsContact O-OG1 3.06Å
501D98.1Very high97.2Very high50 Ų5015.3 Ų15.327%0.2678%0.077SC..Hα-helixtrans-65.5-43.9176.4-69.1-57000111F497 S498 L503 T504 L505 L557F497-D501 HydrophobicContact CB-CB 3.86Å; F497-D501 HydrophobicContact CD1-CB 4.25Å; F497-D501 HydrophobicContact CG-CB 4.41Å; S498-D501 WeakPolarHBondContact CB-OD2 3.38Å; S498-D501 PolarHBondContact O-N 3.33Å; S498-D501 PolarHBondContact OG-N 2.94Å; S498-D501 PolarHBondContact OG-OD2 3.28Å; D501-L503 VanDerWaalsContact C-N 3.3Å; D501-L503 PolarHBondContact O-N 3.24Å; D501-T504 CarbonylContact O-C 3.54Å; D501-T504 WeakPolarHBondContact O-CA 3.24Å; D501-T504 WeakPolarHBondContact O-CB 3.42Å; D501-T504 PolarHBondContact O-N 2.85Å; D501-L505 PolarHBondContact O-N 3.33Å; D501-L557 HydrophobicContact CB-CB 4.21Å; D501-L557 HydrophobicContact CB-CD2 3.9Å; D501-L557 VanDerWaalsContact O-CD2 3.24Å; D501-L557 WeakPolarHBondContact O-CD2 3.49Å
502I98.4Very high97.4Very high1 Ų119.7 Ų19.71%0.0059%0.093CC..Hα-helixtrans-64.1-33.7-177.7-165.261.7000113P419 W492 K494 S498 F499 T504 L505 W506P419-I502 HydrophobicContact CG-CG2 4.33Å; W492-I502 WeakPolarHBondContact O-CD1 3.36Å; K494-I502 HydrophobicContact CB-CD1 4.28Å; K494-I502 HydrophobicContact CB-CG1 4.19Å; K494-I502 HydrophobicContact CD-CB 4.45Å; K494-I502 HydrophobicContact CD-CG1 3.83Å; K494-I502 HydrophobicContact CD-CG2 4.06Å; S498-I502 WeakPolarHBondContact O-CG2 3.44Å; S498-I502 PolarHBondContact O-N 3.08Å; F499-I502 WeakPolarHBondContact O-CG2 3.16Å; I502-T504 VanDerWaalsContact C-N 3.29Å; I502-T504 PolarHBondContact O-N 2.87Å; I502-L505 HydrophobicContact CD1-CB 4.48Å; I502-L505 HydrophobicContact CD1-CD2 4.1Å; I502-L505 PolarHBondContact O-N 3.5Å; I502-W506 HydrophobicContact CD1-CD2 4.48Å; I502-W506 HydrophobicContact CD1-CG 4.49Å; I502-W506 HydrophobicContact CD1-CZ2 4.34Å; I502-W506 HydrophobicContact CG1-CD2 4.14Å; I502-W506 HydrophobicContact CG1-CG 4.47Å; I502-W506 HydrophobicContact CG1-CZ2 4.02Å; I502-W506 WeakPolarHBondContact O-CB 3.47Å; I502-W506 PolarHBondContact O-N 3.05Å
503L98.6Very high97.4Very high0 Ų021.8 Ų21.80%011%0.105CC..Hα-helixtrans-58-46.8171.7-59.9173.6000110.2R309 W313 P419 F422 V423 F499 D501 E507R309-L503 VanDerWaalsContact NH1-CD1 3.25Å; W313-L503 HydrophobicContact CH2-CB 4.33Å; W313-L503 HydrophobicContact CH2-CD2 3.33Å; W313-L503 HydrophobicContact CH2-CG 4.43Å; W313-L503 HydrophobicContact CZ2-CB 3.92Å; W313-L503 HydrophobicContact CZ2-CD2 3.7Å; W313-L503 HydrophobicContact CZ2-CG 4.41Å; W313-L503 HydrophobicContact CZ3-CD2 4.31Å; P419-L503 HydrophobicContact CB-CD2 3.59Å; F422-L503 HydrophobicContact CE1-CD1 4.47Å; V423-L503 HydrophobicContact CG2-CD1 4.47Å; V423-L503 HydrophobicContact CG2-CD2 3.71Å; F499-L503 VanDerWaalsContact O-CG 3.3Å; F499-L503 WeakPolarHBondContact O-CG 3.4Å; D501-L503 VanDerWaalsContact C-N 3.3Å; D501-L503 PolarHBondContact O-N 3.24Å; L503-E507 WeakPolarHBondContact O-CB 3.39Å; L503-E507 VanDerWaalsContact O-CD 3.29Å; L503-E507 WeakPolarHBondContact O-CG 3.02Å; L503-E507 PolarHBondContact O-N 3.38Å
504T98.6Very high97.4Very high20 Ų2023.2 Ų23.212%0.12311%0.114CC..Hα-helixtrans-72.7-35.1-177-48.20000112.2R309 E500 D501 I502 V508 L557R309-T504 PolarHBondContact NH2-OG1 3.26Å; E500-T504 PolarHBondContact O-N 3.07Å; E500-T504 PolarHBondContact O-OG1 3.03Å; E500-T504 VanDerWaalsContact O-OG1 3.06Å; D501-T504 CarbonylContact O-C 3.54Å; D501-T504 WeakPolarHBondContact O-CA 3.24Å; D501-T504 WeakPolarHBondContact O-CB 3.42Å; D501-T504 PolarHBondContact O-N 2.85Å; I502-T504 VanDerWaalsContact C-N 3.29Å; I502-T504 PolarHBondContact O-N 2.87Å; T504-V508 WeakPolarHBondContact O-CG2 3.48Å; T504-V508 PolarHBondContact O-N 3.02Å; T504-L557 HydrophobicContact CG2-CD2 4.08Å
505L98.8Very high97.4Very high0 Ų023.3 Ų23.30%012%0.116CC..Hα-helixtrans-65.4-46.7173.6178.555.8000111.4F493 F497 D501 I502 V508 L509 I522 L557 L561F493-L505 HydrophobicContact CB-CD2 3.83Å; F493-L505 HydrophobicContact CD2-CD2 4.03Å; F493-L505 HydrophobicContact CG-CD2 4.17Å; F497-L505 HydrophobicContact CD2-CD2 3.64Å; F497-L505 HydrophobicContact CE2-CD2 3.62Å; D501-L505 PolarHBondContact O-N 3.33Å; I502-L505 HydrophobicContact CD1-CB 4.48Å; I502-L505 HydrophobicContact CD1-CD2 4.1Å; I502-L505 PolarHBondContact O-N 3.5Å; L505-V508 PolarHBondContact O-N 3.39Å; L505-L509 HydrophobicContact CD1-CD1 4.16Å; L505-L509 HydrophobicContact CD1-CG 4.24Å; L505-L509 HydrophobicContact CG-CD1 4.08Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 3.46Å; L505-I522 HydrophobicContact CD1-CD1 4.03Å; L505-I522 HydrophobicContact CD1-CG1 4.26Å; L505-I522 HydrophobicContact CD1-CG2 4.46Å; L505-L557 HydrophobicContact CB-CD1 3.83Å; L505-L557 HydrophobicContact CD1-CD1 4.06Å; L505-L557 HydrophobicContact CD2-CD1 4.42Å; L505-L557 HydrophobicContact CG-CD1 4.31Å; L505-L561 HydrophobicContact CD1-CD2 3.84Å
506W98.8Very high97.3Very high0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-68.1-39.3179.7-72.9-0.6000112.7L416 P419 F437 W492 K494 I502 V508 L509 W510L416-W506 HydrophobicContact CD2-CH2 4.34Å; L416-W506 HydrophobicContact CD2-CZ2 4.11Å; L416-W506 WeakPolarHBondContact O-CZ3 3.42Å; P419-W506 HydrophobicContact CB-CE3 4.25Å; P419-W506 HydrophobicContact CB-CH2 4.43Å; P419-W506 HydrophobicContact CB-CZ3 3.69Å; P419-W506 HydrophobicContact CG-CE3 4.34Å; P419-W506 HydrophobicContact CG-CH2 3.71Å; P419-W506 HydrophobicContact CG-CZ3 3.47Å; P419-W506 VanDerWaalsContact CG-CZ3 3.47Å; F437-W506 HydrophobicContact CE1-CD2 4.04Å; F437-W506 AromaticContact CE1-CE3 3.9Å; F437-W506 HydrophobicContact CE1-CE3 3.9Å; F437-W506 AromaticContact CE1-CH2 3.81Å; F437-W506 HydrophobicContact CE1-CH2 3.81Å; F437-W506 AromaticContact CE1-CZ2 3.89Å; F437-W506 HydrophobicContact CE1-CZ2 3.89Å; F437-W506 AromaticContact CE1-CZ3 3.78Å; F437-W506 HydrophobicContact CE1-CZ3 3.78Å; F437-W506 HydrophobicContact CZ-CD2 4.12Å; F437-W506 AromaticContact CZ-CE2 3.93Å; F437-W506 HydrophobicContact CZ-CE3 4.44Å; F437-W506 HydrophobicContact CZ-CH2 4.48Å; F437-W506 HydrophobicContact CZ-CZ2 4.11Å; W492-W506 PolarHBondContact O-NE1 2.72Å; K494-W506 HydrophobicContact CB-CH2 4.46Å; K494-W506 HydrophobicContact CB-CZ2 3.85Å; K494-W506 HydrophobicContact CD-CH2 4.24Å; K494-W506 HydrophobicContact CD-CZ2 4.33Å; K494-W506 HydrophobicContact CG-CH2 4.32Å; K494-W506 HydrophobicContact CG-CZ2 4.19Å; I502-W506 HydrophobicContact CD1-CD2 4.48Å; I502-W506 HydrophobicContact CD1-CG 4.49Å; I502-W506 HydrophobicContact CD1-CZ2 4.34Å; I502-W506 HydrophobicContact CG1-CD2 4.14Å; I502-W506 HydrophobicContact CG1-CG 4.47Å; I502-W506 HydrophobicContact CG1-CZ2 4.02Å; I502-W506 WeakPolarHBondContact O-CB 3.47Å; I502-W506 PolarHBondContact O-N 3.05Å; W506-V508 VanDerWaalsContact C-N 3.25Å; W506-V508 PolarHBondContact O-N 3.37Å; W506-L509 PolarHBondContact O-N 3.29Å; W506-L509 VanDerWaalsContact O-N 3.16Å; W506-W510 HydrophobicContact CB-CD2 4.15Å; W506-W510 HydrophobicContact CB-CE3 4.21Å; W506-W510 HydrophobicContact CB-CH2 3.74Å; W506-W510 HydrophobicContact CB-CZ2 3.64Å; W506-W510 HydrophobicContact CB-CZ3 4.01Å; W506-W510 HydrophobicContact CD2-CH2 4.34Å; W506-W510 AromaticContact CD2-CZ2 3.97Å; W506-W510 HydrophobicContact CD2-CZ2 3.97Å; W506-W510 AromaticContact CE3-CH2 3.73Å; W506-W510 HydrophobicContact CE3-CH2 3.73Å; W506-W510 AromaticContact CE3-CZ2 3.62Å; W506-W510 HydrophobicContact CE3-CZ2 3.62Å; W506-W510 HydrophobicContact CG-CH2 4.42Å; W506-W510 HydrophobicContact CG-CZ2 4.04Å; W506-W510 WeakPolarHBondContact O-CB 3.49Å; W506-W510 PolarHBondContact O-N 3Å
507E98.8Very high97.4Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-50.1-46.6169.3-79.6160.3-166.400112V299 V304 R309 W313 L503 T511V299-E507 HydrophobicContact CG1-CB 3.99Å; V299-E507 VanDerWaalsContact CG1-O 3.28Å; V299-E507 WeakPolarHBondContact CG1-O 3.49Å; V304-E507 HydrophobicContact CB-CG 4.3Å; V304-E507 HydrophobicContact CG2-CB 4.44Å; V304-E507 HydrophobicContact CG2-CG 3.92Å; V304-E507 PolarHBondContact N-OE2 3.47Å; R309-E507 VanDerWaalsContact CD-OE1 3.22Å; R309-E507 WeakPolarHBondContact CD-OE1 3.43Å; R309-E507 VanDerWaalsContact CG-OE1 3.24Å; R309-E507 WeakPolarHBondContact CG-OE1 3.39Å; R309-E507 IonicContact CZ-OE1 2.72Å; R309-E507 IonicContact NE-OE1 2.74Å; R309-E507 PolarHBondContact NE-OE1 3.34Å; W313-E507 HydrophobicContact CZ2-CG 4.09Å; W313-E507 PolarHBondContact NE1-OE1 2.76Å; L503-E507 WeakPolarHBondContact O-CB 3.39Å; L503-E507 VanDerWaalsContact O-CD 3.29Å; L503-E507 WeakPolarHBondContact O-CG 3.02Å; L503-E507 PolarHBondContact O-N 3.38Å; E507-T511 WeakPolarHBondContact O-CG2 3.12Å
508V98.7Very high97.5Very high0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-66.9-47.7176.8174.20000111.4F300 T504 L505 W506 W510 T511 F518 L561F300-V508 HydrophobicContact CD2-CG1 3.62Å; F300-V508 HydrophobicContact CE2-CG1 3.98Å; F300-V508 HydrophobicContact CG-CG1 4.48Å; T504-V508 WeakPolarHBondContact O-CG2 3.48Å; T504-V508 PolarHBondContact O-N 3.02Å; L505-V508 PolarHBondContact O-N 3.39Å; W506-V508 VanDerWaalsContact C-N 3.25Å; W506-V508 PolarHBondContact O-N 3.37Å; V508-W510 PolarHBondContact O-N 3.35Å; V508-T511 WeakPolarHBondContact O-CB 3.04Å; V508-T511 WeakPolarHBondContact O-CG2 3.35Å; V508-T511 PolarHBondContact O-N 2.86Å; V508-T511 PolarHBondContact O-OG1 2.72Å; V508-F518 HydrophobicContact CG1-CD1 4.4Å; V508-F518 HydrophobicContact CG1-CE1 3.96Å; V508-L561 HydrophobicContact CB-CD2 4.28Å; V508-L561 HydrophobicContact CG1-CD2 4.01Å; V508-L561 HydrophobicContact CG2-CD1 4.3Å; V508-L561 HydrophobicContact CG2-CD2 4.37Å
509L98.8Very high97.6Very high8 Ų826.2 Ų26.24%0.04213%0.13CC..Hα-helixtrans-63.4-38.6-178-69.9174.9000113W492 L505 W506 T511 R512 F518 H519 I522W492-L509 HydrophobicContact CD2-CD1 4.1Å; W492-L509 HydrophobicContact CE3-CB 3.98Å; W492-L509 HydrophobicContact CE3-CD1 3.58Å; W492-L509 HydrophobicContact CE3-CG 4.41Å; W492-L509 HydrophobicContact CH2-CB 4.46Å; W492-L509 HydrophobicContact CZ3-CB 3.63Å; W492-L509 HydrophobicContact CZ3-CD1 4.11Å; W492-L509 HydrophobicContact CZ3-CG 4.48Å; L505-L509 HydrophobicContact CD1-CD1 4.16Å; L505-L509 HydrophobicContact CD1-CG 4.24Å; L505-L509 HydrophobicContact CG-CD1 4.08Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 3.46Å; W506-L509 PolarHBondContact O-N 3.29Å; W506-L509 VanDerWaalsContact O-N 3.16Å; L509-T511 PolarHBondContact O-N 2.92Å; L509-R512 PolarHBondContact O-N 3.32Å; L509-R512 VanDerWaalsContact O-N 3.09Å; L509-F518 HydrophobicContact CD2-CB 4.44Å; L509-F518 HydrophobicContact CD2-CD1 3.99Å; L509-H519 HydrophobicContact CD1-CB 4.36Å; L509-H519 HydrophobicContact CD2-CB 3.9Å; L509-I522 HydrophobicContact CD2-CG1 4.33Å
510W98.6Very high97.7Very high10 Ų1024.3 Ų24.34%0.03812%0.122CC..THydrogen-bonded Turntrans-69.7-10.6178.6-60-32.9000114W313 L316 L317 I420 F437 L440 W492 W506 V508 R512W313-W510 HydrophobicContact CD2-CH2 4.27Å; W313-W510 AromaticContact CD2-CZ3 3.62Å; W313-W510 HydrophobicContact CD2-CZ3 3.62Å; W313-W510 AromaticContact CE2-CZ3 3.76Å; W313-W510 AromaticContact CE3-CH2 3.79Å; W313-W510 HydrophobicContact CE3-CH2 3.79Å; W313-W510 AromaticContact CE3-CZ3 3.62Å; W313-W510 HydrophobicContact CE3-CZ3 3.62Å; W313-W510 HydrophobicContact CG-CZ3 4.2Å; W313-W510 AromaticContact CH2-CH2 3.68Å; W313-W510 HydrophobicContact CH2-CH2 3.68Å; W313-W510 AromaticContact CH2-CZ3 3.76Å; W313-W510 HydrophobicContact CH2-CZ3 3.76Å; W313-W510 HydrophobicContact CZ2-CH2 4.23Å; W313-W510 AromaticContact CZ2-CZ3 3.83Å; W313-W510 HydrophobicContact CZ2-CZ3 3.83Å; W313-W510 AromaticContact CZ3-CH2 3.48Å; W313-W510 HydrophobicContact CZ3-CH2 3.48Å; W313-W510 VanDerWaalsContact CZ3-CH2 3.48Å; W313-W510 AromaticContact CZ3-CZ3 3.7Å; W313-W510 HydrophobicContact CZ3-CZ3 3.7Å; L316-W510 HydrophobicContact CB-CB 4.02Å; L316-W510 HydrophobicContact CB-CE3 4.45Å; L317-W510 HydrophobicContact CD1-CE3 4.34Å; L317-W510 HydrophobicContact CD1-CH2 3.84Å; L317-W510 HydrophobicContact CD1-CZ2 4.1Å; L317-W510 HydrophobicContact CD1-CZ3 3.98Å; L317-W510 HydrophobicContact CD2-CD2 3.65Å; L317-W510 VanDerWaalsContact CD2-CE2 3.48Å; L317-W510 HydrophobicContact CD2-CE3 4.16Å; L317-W510 HydrophobicContact CD2-CG 3.97Å; L317-W510 HydrophobicContact CD2-CH2 4.33Å; L317-W510 HydrophobicContact CD2-CZ2 3.85Å; L317-W510 HydrophobicContact CD2-CZ3 4.49Å; L317-W510 HydrophobicContact CG-CD2 4.08Å; L317-W510 HydrophobicContact CG-CE3 4.08Å; L317-W510 HydrophobicContact CG-CH2 4.36Å; L317-W510 HydrophobicContact CG-CZ2 4.37Å; L317-W510 HydrophobicContact CG-CZ3 4.23Å; I420-W510 HydrophobicContact CG1-CH2 4.3Å; F437-W510 AromaticContact CD1-CZ2 3.88Å; F437-W510 HydrophobicContact CD1-CZ2 3.88Å; F437-W510 HydrophobicContact CD2-CZ2 4.44Å; F437-W510 AromaticContact CD2-NE1 3.4Å; F437-W510 AromaticContact CE1-CZ2 3.89Å; F437-W510 HydrophobicContact CE1-CZ2 3.89Å; F437-W510 HydrophobicContact CE2-CZ2 4.49Å; F437-W510 AromaticContact CE2-NE1 3.41Å; F437-W510 HydrophobicContact CG-CZ2 4.15Å; F437-W510 AromaticContact CG-NE1 3.91Å; F437-W510 HydrophobicContact CZ-CZ2 4.21Å; F437-W510 AromaticContact CZ-NE1 3.89Å; L440-W510 VanDerWaalsContact CD1-CD1 3.42Å; L440-W510 HydrophobicContact CD1-CG 4.45Å; W492-W510 AromaticContact CZ3-CD1 3.73Å; W492-W510 AromaticContact CZ3-NE1 3.8Å; W506-W510 HydrophobicContact CB-CD2 4.15Å; W506-W510 HydrophobicContact CB-CE3 4.21Å; W506-W510 HydrophobicContact CB-CH2 3.74Å; W506-W510 HydrophobicContact CB-CZ2 3.64Å; W506-W510 HydrophobicContact CB-CZ3 4.01Å; W506-W510 HydrophobicContact CD2-CH2 4.34Å; W506-W510 AromaticContact CD2-CZ2 3.97Å; W506-W510 HydrophobicContact CD2-CZ2 3.97Å; W506-W510 AromaticContact CE3-CH2 3.73Å; W506-W510 HydrophobicContact CE3-CH2 3.73Å; W506-W510 AromaticContact CE3-CZ2 3.62Å; W506-W510 HydrophobicContact CE3-CZ2 3.62Å; W506-W510 HydrophobicContact CG-CH2 4.42Å; W506-W510 HydrophobicContact CG-CZ2 4.04Å; W506-W510 WeakPolarHBondContact O-CB 3.49Å; W506-W510 PolarHBondContact O-N 3Å; V508-W510 PolarHBondContact O-N 3.35Å; W510-R512 PolarHBondContact O-N 2.9Å
511T98.3Very high97.8Very high3 Ų320 Ų202%0.01810%0.102CC..THydrogen-bonded Turntrans-68.2-19169690000113.4K296 V299 F300 L316 E507 V508 L509 L513K296-T511 HydrophobicContact CB-CG2 4.38Å; K296-T511 WeakPolarHBondContact O-CG2 3.36Å; V299-T511 HydrophobicContact CB-CG2 3.87Å; V299-T511 HydrophobicContact CG1-CG2 3.71Å; F300-T511 HydrophobicContact CB-CG2 4.11Å; L316-T511 HydrophobicContact CD2-CG2 4.31Å; E507-T511 WeakPolarHBondContact O-CG2 3.12Å; V508-T511 WeakPolarHBondContact O-CB 3.04Å; V508-T511 WeakPolarHBondContact O-CG2 3.35Å; V508-T511 PolarHBondContact O-N 2.86Å; V508-T511 PolarHBondContact O-OG1 2.72Å; L509-T511 PolarHBondContact O-N 2.92Å; T511-L513 PolarHBondContact O-N 2.77Å; T511-L513 WeakPolarHBondContact OG1-CB 3.39Å; T511-L513 PolarHBondContact OG1-N 2.85Å; T511-L513 VanDerWaalsContact OG1-N 3.08Å
512R97Very high97.8Very high93 Ų9317.6 Ų17.635%0.3519%0.089SC..THydrogen-bonded Turntrans59.412.3-166.2-58.9-67.2-161.7152.87.4114.6L440 L509 W510 C515L440-R512 VanDerWaalsContact CD2-NH2 3.29Å; L509-R512 PolarHBondContact O-N 3.32Å; L509-R512 VanDerWaalsContact O-N 3.09Å; W510-R512 PolarHBondContact O-N 2.9Å; R512-C515 CarbonylContact O-C 3.54Å; R512-C515 PolarHBondContact O-N 3.46Å
513L97.8Very high97.8Very high51 Ų5117.6 Ų17.627%0.2679%0.089SC..  trans-92.9149.7176.9-61.4177.3000111.6K296 D297 F300 T511 C515K296-L513 HydrophobicContact CB-CD1 3.89Å; D297-L513 HydrophobicContact CB-CD1 4.43Å; F300-L513 HydrophobicContact CB-CB 4.09Å; F300-L513 HydrophobicContact CB-CD1 4.02Å; F300-L513 HydrophobicContact CD1-CB 4.46Å; F300-L513 HydrophobicContact CD2-CB 3.64Å; F300-L513 VanDerWaalsContact CD2-O 3.32Å; F300-L513 WeakPolarHBondContact CD2-O 3.47Å; F300-L513 HydrophobicContact CE2-CB 4.26Å; F300-L513 WeakPolarHBondContact CE2-O 3.39Å; F300-L513 HydrophobicContact CG-CB 3.78Å; F300-L513 HydrophobicContact CG-CD1 4.39Å; T511-L513 PolarHBondContact O-N 2.77Å; T511-L513 WeakPolarHBondContact OG1-CB 3.39Å; T511-L513 PolarHBondContact OG1-N 2.85Å; T511-L513 VanDerWaalsContact OG1-N 3.08Å; L513-C515 VanDerWaalsContact C-N 3.31Å
514P97Very high97.8Very high31 Ų3117.6 Ų17.620%0.2019%0.089CC..SBendcis-85.8-0.2-7.539.3-34.5000112.7F300 F518 Y568F300-P514 HydrophobicContact CZ-CG 4.34Å; P514-F518 HydrophobicContact CG-CD2 4.1Å; P514-F518 HydrophobicContact CG-CE2 4.32Å; P514-Y568 HydrophobicContact CB-CD1 3.74Å; P514-Y568 HydrophobicContact CB-CD2 4.41Å; P514-Y568 HydrophobicContact CB-CE1 3.51Å; P514-Y568 HydrophobicContact CB-CE2 4.2Å; P514-Y568 HydrophobicContact CB-CG 4.19Å; P514-Y568 HydrophobicContact CG-CD1 3.43Å; P514-Y568 VanDerWaalsContact CG-CD1 3.43Å; P514-Y568 HydrophobicContact CG-CD2 3.66Å; P514-Y568 HydrophobicContact CG-CE1 3.7Å; P514-Y568 HydrophobicContact CG-CE2 3.91Å; P514-Y568 HydrophobicContact CG-CG 3.4Å; P514-Y568 PolarHBondContact O-OH 3.07Å
515C95.9Very high97.8Very high10 Ų1016.9 Ų16.97%0.0689%0.085CC..  trans-156.4155.317756.30000110.3R512 L513 N517 F518 Y568 L585R512-C515 CarbonylContact O-C 3.54Å; R512-C515 PolarHBondContact O-N 3.46Å; L513-C515 VanDerWaalsContact C-N 3.31Å; C515-N517 PolarHBondContact O-N 3.34Å; C515-N517 VanDerWaalsContact O-N 3.12Å; C515-F518 WeakPolarHBondContact O-CB 2.99Å; C515-F518 PolarHBondContact O-N 2.93Å; C515-Y568 HydrophobicContact CB-CD2 4.36Å; C515-Y568 HydrophobicContact CB-CE2 3.75Å; C515-L585 WeakPolarHBondContact CB-O 3.26Å
516D91.4Very high97.7Very high91 Ų9116.9 Ų16.949%0.4879%0.085SC..THydrogen-bonded Turntrans-55.2-36.4-175.5-64.8-62.9000114.3F518D516-F518 PolarHBondContact O-N 3.23Å
517N96Very high97.6Very high38 Ų3816.9 Ų16.920%0.2039%0.085CC..THydrogen-bonded Turntrans-95.227.4-178.5-64.1-39.3000113.6C515 H519 L520 V584C515-N517 PolarHBondContact O-N 3.34Å; C515-N517 VanDerWaalsContact O-N 3.12Å; N517-H519 PolarHBondContact O-N 3.07Å; N517-H519 VanDerWaalsContact O-N 3.09Å; N517-L520 HydrophobicContact CB-CD1 4.07Å; N517-L520 HydrophobicContact CB-CG 4.26Å; N517-L520 WeakPolarHBondContact O-CB 3.23Å; N517-L520 PolarHBondContact O-N 2.91Å; N517-V584 PolarHBondContact ND2-O 2.84Å
518F98.4Very high97.4Very high4 Ų418.6 Ų18.62%0.0189%0.093CC..Hα-helixtrans-56.6-28179.4-172.2-127.3000113.1F300 V508 L509 P514 C515 D516 L520 L521 I522 A564F300-F518 HydrophobicContact CE2-CD1 4.1Å; F300-F518 AromaticContact CE2-CE1 3.68Å; F300-F518 HydrophobicContact CE2-CE1 3.68Å; F300-F518 AromaticContact CE2-CZ 3.95Å; F300-F518 HydrophobicContact CE2-CZ 3.95Å; F300-F518 HydrophobicContact CZ-CE1 4.42Å; F300-F518 HydrophobicContact CZ-CZ 4.25Å; V508-F518 HydrophobicContact CG1-CD1 4.4Å; V508-F518 HydrophobicContact CG1-CE1 3.96Å; L509-F518 HydrophobicContact CD2-CB 4.44Å; L509-F518 HydrophobicContact CD2-CD1 3.99Å; P514-F518 HydrophobicContact CG-CD2 4.1Å; P514-F518 HydrophobicContact CG-CE2 4.32Å; C515-F518 WeakPolarHBondContact O-CB 2.99Å; C515-F518 PolarHBondContact O-N 2.93Å; D516-F518 PolarHBondContact O-N 3.23Å; F518-L520 PolarHBondContact O-N 3.04Å; F518-L521 HydrophobicContact CD2-CB 4.06Å; F518-L521 HydrophobicContact CD2-CD1 4.19Å; F518-L521 HydrophobicContact CE2-CB 4.33Å; F518-L521 WeakPolarHBondContact O-CA 3.24Å; F518-L521 WeakPolarHBondContact O-CB 3.44Å; F518-L521 PolarHBondContact O-N 2.79Å; F518-I522 HydrophobicContact CD1-CD1 4.5Å; F518-I522 HydrophobicContact CE1-CD1 3.95Å; F518-I522 HydrophobicContact CE1-CG1 4.48Å; F518-I522 HydrophobicContact CZ-CD1 4.19Å; F518-I522 PolarHBondContact O-N 3.49Å; F518-A564 HydrophobicContact CE2-CB 3.67Å; F518-A564 HydrophobicContact CZ-CB 3.65Å
519H98.5Very high97.2Very high10 Ų1022 Ų225%0.04612%0.116CC..Hα-helixtrans-58.5-28.417365.1-90.3000113.8F493 L509 N517 A523F493-H519 HydrophobicContact CE2-CB 4.48Å; F493-H519 WeakPolarHBondContact CZ-O 3.33Å; L509-H519 HydrophobicContact CD1-CB 4.36Å; L509-H519 HydrophobicContact CD2-CB 3.9Å; N517-H519 PolarHBondContact O-N 3.07Å; N517-H519 VanDerWaalsContact O-N 3.09Å; H519-A523 PolarHBondContact O-N 2.65Å
520L98.6Very high96.9Very high0 Ų023.1 Ų23.10%012%0.121CC..Hα-helixtrans-72.9-33.6172.3-56.2-176.5000111.6Q455 Q458 L459 L462 L489 N517 F518 A523 C524 V584Q455-L520 HydrophobicContact CB-CD2 4.14Å; Q455-L520 HydrophobicContact CG-CD2 4.49Å; Q458-L520 HydrophobicContact CB-CD1 3.59Å; L459-L520 HydrophobicContact CB-CD2 4.47Å; L459-L520 HydrophobicContact CD1-CB 4.46Å; L459-L520 WeakPolarHBondContact CD1-O 3.3Å; L462-L520 HydrophobicContact CD1-CB 3.6Å; L462-L520 HydrophobicContact CD1-CD1 4.01Å; L462-L520 HydrophobicContact CD1-CG 4.48Å; L489-L520 HydrophobicContact CD1-CD2 4.35Å; L489-L520 HydrophobicContact CD2-CD2 3.77Å; N517-L520 HydrophobicContact CB-CD1 4.07Å; N517-L520 HydrophobicContact CB-CG 4.26Å; N517-L520 WeakPolarHBondContact O-CB 3.23Å; N517-L520 PolarHBondContact O-N 2.91Å; F518-L520 PolarHBondContact O-N 3.04Å; L520-A523 WeakPolarHBondContact O-CB 3.39Å; L520-A523 PolarHBondContact O-N 3.32Å; L520-C524 PolarHBondContact O-N 3.01Å; L520-C524 PolarHBondContact O-SG 3.15Å; L520-C524 VanDerWaalsContact O-SG 3.35Å; L520-V584 HydrophobicContact CD1-CG1 3.87Å
521L98.6Very high96.5Very high0 Ų026.3 Ų26.30%013%0.134CC..Hα-helixtrans-73.4-27.4176.2-57.6-172.4000112.7L462 F518 C524 S525 A564 I567 Y568 L571 L585L462-L521 HydrophobicContact CD1-CD2 3.9Å; L462-L521 HydrophobicContact CD2-CD2 3.91Å; L462-L521 HydrophobicContact CG-CD2 4.43Å; F518-L521 HydrophobicContact CD2-CB 4.06Å; F518-L521 HydrophobicContact CD2-CD1 4.19Å; F518-L521 HydrophobicContact CE2-CB 4.33Å; F518-L521 WeakPolarHBondContact O-CA 3.24Å; F518-L521 WeakPolarHBondContact O-CB 3.44Å; F518-L521 PolarHBondContact O-N 2.79Å; L521-C524 PolarHBondContact O-N 3.01Å; L521-S525 WeakPolarHBondContact O-CB 3.45Å; L521-S525 PolarHBondContact O-N 3.44Å; L521-A564 HydrophobicContact CB-CB 4.29Å; L521-I567 HydrophobicContact CD1-CG2 4.48Å; L521-I567 HydrophobicContact CD2-CG2 3.89Å; L521-Y568 HydrophobicContact CD1-CD2 3.95Å; L521-Y568 HydrophobicContact CD1-CG 4.28Å; L521-L571 HydrophobicContact CD2-CD1 4.34Å; L521-L585 HydrophobicContact CD1-CD2 3.89Å; L521-L585 HydrophobicContact CD2-CD2 4.18Å; L521-L585 HydrophobicContact CG-CD2 4.33Å
522I98.7Very high96Very high0 Ų028.8 Ų28.80%016%0.159CC..Hα-helixtrans-60-46.3165.1-59.7-66000110F493 L505 L509 F518 S525 I526 V560 L561 A564F493-I522 HydrophobicContact CD1-CG2 4.22Å; F493-I522 HydrophobicContact CD2-CG2 4.06Å; F493-I522 HydrophobicContact CE1-CG2 3.78Å; F493-I522 HydrophobicContact CE2-CB 3.93Å; F493-I522 HydrophobicContact CE2-CG2 3.63Å; F493-I522 HydrophobicContact CG-CG2 4.37Å; F493-I522 HydrophobicContact CZ-CB 3.79Å; F493-I522 HydrophobicContact CZ-CG2 3.49Å; F493-I522 VanDerWaalsContact CZ-CG2 3.49Å; L505-I522 HydrophobicContact CD1-CD1 4.03Å; L505-I522 HydrophobicContact CD1-CG1 4.26Å; L505-I522 HydrophobicContact CD1-CG2 4.46Å; L509-I522 HydrophobicContact CD2-CG1 4.33Å; F518-I522 HydrophobicContact CD1-CD1 4.5Å; F518-I522 HydrophobicContact CE1-CD1 3.95Å; F518-I522 HydrophobicContact CE1-CG1 4.48Å; F518-I522 HydrophobicContact CZ-CD1 4.19Å; F518-I522 PolarHBondContact O-N 3.49Å; I522-S525 PolarHBondContact O-N 3.41Å; I522-I526 HydrophobicContact CG2-CD1 4.11Å; I522-I526 WeakPolarHBondContact O-CG1 3.2Å; I522-I526 PolarHBondContact O-N 3.09Å; I522-I526 VanDerWaalsContact O-N 3.08Å; I522-V560 HydrophobicContact CD1-CG1 4.3Å; I522-V560 HydrophobicContact CG2-CG1 3.8Å; I522-L561 HydrophobicContact CD1-CD2 3.82Å; I522-A564 HydrophobicContact CD1-CB 3.78Å
523A98.4Very high95.4Very high0 Ų030.1 Ų30.10%017%0.17CC..Hα-helixtrans-64.3-44.7175.700000112.2L459 W488 F493 H519 L520 S525 I526 L527L459-A523 HydrophobicContact CD1-CB 3.65Å; L459-A523 HydrophobicContact CD2-CB 3.95Å; L459-A523 HydrophobicContact CG-CB 4.48Å; W488-A523 HydrophobicContact CE3-CB 4.04Å; W488-A523 HydrophobicContact CZ3-CB 4.34Å; F493-A523 HydrophobicContact CE1-CB 4.22Å; F493-A523 HydrophobicContact CZ-CB 4.01Å; H519-A523 PolarHBondContact O-N 2.65Å; L520-A523 WeakPolarHBondContact O-CB 3.39Å; L520-A523 PolarHBondContact O-N 3.32Å; A523-S525 VanDerWaalsContact C-N 3.35Å; A523-S525 PolarHBondContact O-N 3.39Å; A523-I526 PolarHBondContact O-N 2.75Å; A523-L527 WeakPolarHBondContact O-CG 3.1Å; A523-L527 PolarHBondContact O-N 2.77Å
524C98.2Very high94.8Very high0 Ų027.7 Ų27.70%016%0.157CC..Hα-helixtrans-55.6-47.6173.6-65.60000112.1L466 L520 L521 I526 L527 E528 I567L466-C524 HydrophobicContact CD1-CB 3.77Å; L520-C524 PolarHBondContact O-N 3.01Å; L520-C524 PolarHBondContact O-SG 3.15Å; L520-C524 VanDerWaalsContact O-SG 3.35Å; L521-C524 PolarHBondContact O-N 3.01Å; C524-I526 VanDerWaalsContact C-N 3.32Å; C524-I526 PolarHBondContact O-N 2.7Å; C524-L527 PolarHBondContact O-N 3.31Å; C524-L527 VanDerWaalsContact O-N 3.16Å; C524-E528 PolarHBondContact O-N 3.22Å; C524-I567 HydrophobicContact CB-CD1 4.3Å
525S98.1Very high94Very high6 Ų628.3 Ų28.34%0.04216%0.158CC..Hα-helixtrans-58.3-42.2178.5172.20000112.4L521 I522 A523 S529 V560 E563L521-S525 WeakPolarHBondContact O-CB 3.45Å; L521-S525 PolarHBondContact O-N 3.44Å; I522-S525 PolarHBondContact O-N 3.41Å; A523-S525 VanDerWaalsContact C-N 3.35Å; A523-S525 PolarHBondContact O-N 3.39Å; S525-S529 WeakPolarHBondContact O-CB 3.29Å; S525-S529 PolarHBondContact O-N 2.78Å; S525-S529 VanDerWaalsContact O-N 3.1Å; S525-V560 PolarHBondContact OG-O 3.44Å; S525-E563 WeakPolarHBondContact OG-CB 3.21Å
526I98Very high92.6Very high0 Ų031.3 Ų31.30%019%0.19CC..Hα-helixtrans-65.2-46.3175.7-62.1161.4000110.1W488 F493 F497 I522 A523 C524 S529 Q530 L551 L555 V560W488-I526 HydrophobicContact CH2-CB 4.01Å; W488-I526 HydrophobicContact CH2-CG2 3.39Å; W488-I526 HydrophobicContact CZ2-CG2 3.94Å; W488-I526 HydrophobicContact CZ3-CB 4.13Å; W488-I526 HydrophobicContact CZ3-CG2 4.03Å; F493-I526 HydrophobicContact CD1-CD1 3.85Å; F493-I526 HydrophobicContact CE1-CD1 3.69Å; F497-I526 HydrophobicContact CE2-CD1 4.49Å; F497-I526 HydrophobicContact CZ-CD1 4.4Å; I522-I526 HydrophobicContact CG2-CD1 4.11Å; I522-I526 WeakPolarHBondContact O-CG1 3.2Å; I522-I526 PolarHBondContact O-N 3.09Å; I522-I526 VanDerWaalsContact O-N 3.08Å; A523-I526 PolarHBondContact O-N 2.75Å; C524-I526 VanDerWaalsContact C-N 3.32Å; C524-I526 PolarHBondContact O-N 2.7Å; I526-S529 WeakPolarHBondContact O-CB 3.43Å; I526-S529 PolarHBondContact O-N 2.95Å; I526-S529 PolarHBondContact O-OG 2.73Å; I526-Q530 WeakPolarHBondContact O-CG 3.42Å; I526-Q530 PolarHBondContact O-N 3.01Å; I526-L551 HydrophobicContact CG2-CD1 4.17Å; I526-L555 HydrophobicContact CD1-CD1 3.81Å; I526-L555 HydrophobicContact CG1-CD1 4.07Å; I526-L555 HydrophobicContact CG2-CD1 4.09Å; I526-L555 HydrophobicContact CG2-CD2 3.97Å; I526-V560 HydrophobicContact CD1-CG1 4.31Å; I526-V560 HydrophobicContact CG1-CG1 3.87Å; I526-V560 HydrophobicContact CG1-CG2 3.95Å
527L96Very high91.2Very high0 Ų028.8 Ų28.80%018%0.18CC..Hα-helixtrans-63.7-44.4-179.2-64.2176.9000112.8L463 F484 W488 A523 C524 S529 Q530 R531 I548L463-L527 HydrophobicContact CD1-CB 4.41Å; L463-L527 HydrophobicContact CD1-CD1 4.47Å; L463-L527 HydrophobicContact CD2-CD1 4.1Å; F484-L527 HydrophobicContact CE2-CD2 3.83Å; W488-L527 HydrophobicContact CH2-CD2 3.91Å; W488-L527 HydrophobicContact CZ3-CD2 3.91Å; W488-L527 HydrophobicContact CZ3-CG 4.12Å; A523-L527 WeakPolarHBondContact O-CG 3.1Å; A523-L527 PolarHBondContact O-N 2.77Å; C524-L527 PolarHBondContact O-N 3.31Å; C524-L527 VanDerWaalsContact O-N 3.16Å; L527-S529 VanDerWaalsContact C-N 3.3Å; L527-S529 PolarHBondContact O-N 2.64Å; L527-Q530 CarbonylContact O-C 3.57Å; L527-Q530 PolarHBondContact O-N 2.71Å; L527-R531 PolarHBondContact O-N 2.8Å; L527-R531 VanDerWaalsContact O-N 3.15Å; L527-I548 HydrophobicContact CD2-CD1 3.91Å
528E94Very high89.6Confident36 Ų3634.6 Ų34.617%0.16821%0.211CC..Hα-helixtrans-61-38.3174.7-72.4-167.9124.100112R267 C524 Q530 R531 I567R267-E528 IonicContact CZ-OE1 2.79Å; R267-E528 IonicContact CZ-OE2 2.65Å; R267-E528 IonicContact NH1-OE2 3.74Å; R267-E528 PolarHBondContact NH1-OE2 2.87Å; R267-E528 IonicContact NH2-OE1 3.85Å; R267-E528 PolarHBondContact NH2-OE1 2.91Å; R267-E528 IonicContact NH2-OE2 2.91Å; R267-E528 PolarHBondContact NH2-OE2 2.75Å; C524-E528 PolarHBondContact O-N 3.22Å; E528-Q530 PolarHBondContact O-N 2.93Å; E528-Q530 VanDerWaalsContact O-N 3.14Å; E528-R531 VanDerWaalsContact O-CB 3.28Å; E528-R531 WeakPolarHBondContact O-CB 3.49Å; E528-R531 PolarHBondContact O-N 3.39Å; E528-R531 VanDerWaalsContact O-N 3.17Å; E528-I567 WeakPolarHBondContact OE2-CD1 3.49Å; E528-I567 WeakPolarHBondContact OE2-CG1 3.44Å
529S94.6Very high88.1Confident71 Ų7136 Ų3650%0.49722%0.218SC..Hα-helixtrans-61.3-23175.882.10000113.2S525 I526 L527S525-S529 WeakPolarHBondContact O-CB 3.29Å; S525-S529 PolarHBondContact O-N 2.78Å; S525-S529 VanDerWaalsContact O-N 3.1Å; I526-S529 WeakPolarHBondContact O-CB 3.43Å; I526-S529 PolarHBondContact O-N 2.95Å; I526-S529 PolarHBondContact O-OG 2.73Å; L527-S529 VanDerWaalsContact C-N 3.3Å; L527-S529 PolarHBondContact O-N 2.64Å
530Q93Very high86.5Confident31 Ų3138.5 Ų38.515%0.14523%0.231CC..Hα-helixtrans-102.5-1.9-179-58.5-50.7-59.300113.8I526 L527 E528 G532 E533 L534 H547 L551I526-Q530 WeakPolarHBondContact O-CG 3.42Å; I526-Q530 PolarHBondContact O-N 3.01Å; L527-Q530 CarbonylContact O-C 3.57Å; L527-Q530 PolarHBondContact O-N 2.71Å; E528-Q530 PolarHBondContact O-N 2.93Å; E528-Q530 VanDerWaalsContact O-N 3.14Å; Q530-G532 PolarHBondContact O-N 2.86Å; Q530-G532 VanDerWaalsContact O-N 3.08Å; Q530-E533 PolarHBondContact O-N 2.86Å; Q530-L534 HydrophobicContact CB-CD1 3.95Å; Q530-L534 HydrophobicContact CB-CG 4.2Å; Q530-L534 WeakPolarHBondContact O-CG 3.44Å; Q530-L534 PolarHBondContact O-N 3.27Å; Q530-H547 PolarHBondContact OE1-NE2 2.87Å; Q530-L551 HydrophobicContact CG-CD1 3.76Å; Q530-L551 HydrophobicContact CG-CD2 4.18Å
531R89.9Confident84.8Confident78 Ų7839 Ų3929%0.29423%0.234SC..Hα-helixtrans-45.3-44.5-179.5-172.7-147.2-151.1-95.5-5.9113.2D467 E469 L470 L527 E528 L534 I535D467-R531 IonicContact OD1-CZ 2.71Å; D467-R531 IonicContact OD1-NE 2.69Å; D467-R531 IonicContact OD1-NH2 3.54Å; D467-R531 PolarHBondContact OD1-NH2 3.29Å; D467-R531 WeakPolarHBondContact OD2-CD 3.34Å; D467-R531 WeakPolarHBondContact OD2-CG 3.5Å; D467-R531 IonicContact OD2-CZ 2.74Å; D467-R531 IonicContact OD2-NE 3.17Å; D467-R531 PolarHBondContact OD2-NE 3.32Å; D467-R531 IonicContact OD2-NH2 3.43Å; D467-R531 PolarHBondContact OD2-NH2 3.2Å; E469-R531 VanDerWaalsContact CD-NH2 3.28Å; E469-R531 IonicContact OE1-NH1 3.1Å; E469-R531 PolarHBondContact OE1-NH1 3.37Å; E469-R531 IonicContact OE1-NH2 2.72Å; E469-R531 IonicContact OE2-CZ 2.81Å; E469-R531 IonicContact OE2-NH1 2.65Å; E469-R531 PolarHBondContact OE2-NH1 3.3Å; E469-R531 IonicContact OE2-NH2 2.73Å; E469-R531 PolarHBondContact OE2-NH2 2.8Å; L470-R531 HydrophobicContact CD2-CB 4.28Å; L470-R531 HydrophobicContact CD2-CG 4.3Å; L527-R531 PolarHBondContact O-N 2.8Å; L527-R531 VanDerWaalsContact O-N 3.15Å; E528-R531 VanDerWaalsContact O-CB 3.28Å; E528-R531 WeakPolarHBondContact O-CB 3.49Å; E528-R531 PolarHBondContact O-N 3.39Å; E528-R531 VanDerWaalsContact O-N 3.17Å; R531-L534 PolarHBondContact O-N 2.72Å; R531-I535 HydrophobicContact CG-CD1 3.7Å; R531-I535 HydrophobicContact CG-CG1 4.36Å; R531-I535 PolarHBondContact O-N 2.96Å
532G87.1Confident83.3Confident54 Ų5442.2 Ų42.256%0.55725%0.251SS*.Hα-helixtrans-63.4-43.1-177.500000113.5Q530 G536Q530-G532 PolarHBondContact O-N 2.86Å; Q530-G532 VanDerWaalsContact O-N 3.08Å; G532-G536 VanDerWaalsContact O-CA 3.3Å; G532-G536 WeakPolarHBondContact O-CA 3.35Å; G532-G536 PolarHBondContact O-N 3.35Å
533E86.1Confident82.3Confident122 Ų12244.6 Ų44.657%0.5727%0.265SS*.Hα-helixtrans-73.1-40.7176.6-60.4-61.6136.900110.9Q530 S537Q530-E533 PolarHBondContact O-N 2.86Å; E533-S537 PolarHBondContact O-OG 2.91Å
534L84.2Confident81.4Confident0 Ų044.6 Ų44.60%027%0.265CS..Hα-helixtrans-65.5-48.8-178.2-69.7172.6000113L470 F473 Q530 R531 I544L470-L534 HydrophobicContact CD1-CB 4.13Å; L470-L534 HydrophobicContact CD1-CD1 4.05Å; F473-L534 WeakPolarHBondContact CE1-O 3.5Å; F473-L534 WeakPolarHBondContact CZ-O 3.16Å; Q530-L534 HydrophobicContact CB-CD1 3.95Å; Q530-L534 HydrophobicContact CB-CG 4.2Å; Q530-L534 WeakPolarHBondContact O-CG 3.44Å; Q530-L534 PolarHBondContact O-N 3.27Å; R531-L534 PolarHBondContact O-N 2.72Å; L534-I544 HydrophobicContact CD2-CG1 4.3Å; L534-I544 HydrophobicContact CD2-CG2 4.02Å
535I79.4Confident80.3Confident44 Ų4445.2 Ų45.223%0.22627%0.268CS..Hα-helixtrans-87.9-29.1-177.6-55.3178.7000111.7E469 L470 F473 R531 S537E469-I535 HydrophobicContact CG-CD1 4.41Å; L470-I535 HydrophobicContact CB-CD1 4.02Å; L470-I535 HydrophobicContact CD1-CD1 4.01Å; L470-I535 HydrophobicContact CD1-CG1 3.87Å; F473-I535 HydrophobicContact CB-CG1 4.4Å; F473-I535 HydrophobicContact CD1-CG1 4.29Å; F473-I535 HydrophobicContact CG-CG1 4.23Å; R531-I535 HydrophobicContact CG-CD1 3.7Å; R531-I535 HydrophobicContact CG-CG1 4.36Å; R531-I535 PolarHBondContact O-N 2.96Å; I535-S537 PolarHBondContact O-N 2.87Å; I535-S537 VanDerWaalsContact O-N 3.07Å
536G67.8Low79.4Confident72 Ų7250.5 Ų50.574%0.74229%0.291SS*.SBendtrans-72.65-177.400000115.1G532G532-G536 VanDerWaalsContact O-CA 3.3Å; G532-G536 WeakPolarHBondContact O-CA 3.35Å; G532-G536 PolarHBondContact O-N 3.35Å
537S61.4Low78.8Confident38 Ų3852.1 Ų52.127%0.26630%0.298SS..SBendtrans-142.2152.9-171.8660000111.6E533 I535 H539E533-S537 PolarHBondContact O-OG 2.91Å; I535-S537 PolarHBondContact O-N 2.87Å; I535-S537 VanDerWaalsContact O-N 3.07Å; S537-H539 PolarHBondContact O-N 2.83Å; S537-H539 PolarHBondContact OG-CD2 3.02Å; S537-H539 PolarHBondContact OG-CE1 3.44Å; S537-H539 PolarHBondContact OG-ND1 3.14Å; S537-H539 PolarHBondContact OG-NE2 3Å
538D62.3Low78.3Confident160 Ų16052.2 Ų52.286%0.85630%0.299SS*.  trans-8163.5178.7-161.320.5000109.8
539H67.1Low77.6Confident35 Ų3551.9 Ų51.916%0.16230%0.298CS..  trans-88.8115-173.9-87.718000112.4F473 Q477 S537 T543 I544F473-H539 HydrophobicContact CZ-CB 4.45Å; Q477-H539 WeakPolarHBondContact CG-O 3.17Å; Q477-H539 PolarHBondContact OE1-O 3.3Å; S537-H539 PolarHBondContact O-N 2.83Å; S537-H539 PolarHBondContact OG-CD2 3.02Å; S537-H539 PolarHBondContact OG-CE1 3.44Å; S537-H539 PolarHBondContact OG-ND1 3.14Å; S537-H539 PolarHBondContact OG-NE2 3Å; H539-T543 WeakPolarHBondContact CE1-CG2 3.44Å; H539-T543 WeakPolarHBondContact ND1-CG2 3.47Å; H539-I544 HydrophobicContact CB-CG1 3.91Å
540D66Low77.3Confident62 Ų6253 Ų5333%0.33230%0.295SS..  trans-71.7168.116386.9-49.9000111.5N542 T543 I544D540-N542 PolarHBondContact O-N 3.49Å; D540-N542 VanDerWaalsContact O-N 3.1Å; D540-N542 PolarHBondContact OD1-N 2.93Å; D540-N542 VanDerWaalsContact OD2-CB 3.32Å; D540-N542 WeakPolarHBondContact OD2-CB 3.4Å; D540-N542 PolarHBondContact OD2-N 2.79Å; D540-N542 VanDerWaalsContact OD2-N 3.15Å; D540-N542 PolarHBondContact OD2-ND2 2.9Å; D540-T543 PolarHBondContact O-N 2.98Å; D540-T543 VanDerWaalsContact OD1-CB 3.32Å; D540-T543 WeakPolarHBondContact OD1-CB 3.04Å; D540-T543 PolarHBondContact OD1-N 3.39Å; D540-T543 PolarHBondContact OD1-OG1 2.83Å; D540-I544 WeakPolarHBondContact O-CG1 3.27Å; D540-I544 PolarHBondContact O-N 3.34Å
541F62.6Low77.2Confident11 Ų1152.1 Ų52.15%0.04829%0.291CS..Hα-helixtrans-46.3-43.8174.6173.2-81.7000113.2F218 T222 S479 F484 T543 I544 L545F218-F541 HydrophobicContact CB-CD1 4.41Å; F218-F541 HydrophobicContact CB-CE1 3.35Å; F218-F541 HydrophobicContact CB-CZ 3.75Å; F218-F541 HydrophobicContact CD1-CE1 4.48Å; F218-F541 HydrophobicContact CD1-CZ 4.01Å; F218-F541 HydrophobicContact CG-CE1 4.34Å; F218-F541 HydrophobicContact CG-CZ 4.32Å; T222-F541 HydrophobicContact CG2-CD1 4.47Å; T222-F541 HydrophobicContact CG2-CD2 3.43Å; T222-F541 VanDerWaalsContact CG2-CD2 3.43Å; T222-F541 HydrophobicContact CG2-CE1 4.4Å; T222-F541 HydrophobicContact CG2-CE2 3.27Å; T222-F541 HydrophobicContact CG2-CG 4.08Å; T222-F541 HydrophobicContact CG2-CZ 3.83Å; S479-F541 VanDerWaalsContact OG-CD2 3.3Å; S479-F541 WeakPolarHBondContact OG-CD2 3.48Å; F484-F541 HydrophobicContact CD1-CE2 4.3Å; F541-T543 VanDerWaalsContact C-N 3.31Å; F541-T543 PolarHBondContact O-N 2.89Å; F541-I544 PolarHBondContact O-N 2.82Å; F541-L545 HydrophobicContact CE1-CB 3.91Å; F541-L545 HydrophobicContact CE1-CD2 3.83Å; F541-L545 HydrophobicContact CE1-CG 4.48Å; F541-L545 HydrophobicContact CZ-CB 4.05Å; F541-L545 HydrophobicContact CZ-CD2 4.09Å; F541-L545 WeakPolarHBondContact O-CB 3.41Å; F541-L545 PolarHBondContact O-N 3.49Å
542N65.9Low77.2Confident67 Ų6750.8 Ų50.836%0.35829%0.292SS..Hα-helixtrans-68.1-34.9-175.3-59.2-76.2000111.2D540 K546D540-N542 PolarHBondContact O-N 3.49Å; D540-N542 VanDerWaalsContact O-N 3.1Å; D540-N542 PolarHBondContact OD1-N 2.93Å; D540-N542 VanDerWaalsContact OD2-CB 3.32Å; D540-N542 WeakPolarHBondContact OD2-CB 3.4Å; D540-N542 PolarHBondContact OD2-N 2.79Å; D540-N542 VanDerWaalsContact OD2-N 3.15Å; D540-N542 PolarHBondContact OD2-ND2 2.9Å; N542-K546 VanDerWaalsContact O-CB 3.31Å; N542-K546 WeakPolarHBondContact O-CB 3.42Å; N542-K546 PolarHBondContact O-N 2.97Å
543T79.1Confident77.4Confident50 Ų5053.4 Ų53.431%0.30729%0.291SS..Hα-helixtrans-75.1-35.5176.5-480000111.8H539 D540 F541 K546 H547H539-T543 WeakPolarHBondContact CE1-CG2 3.44Å; H539-T543 WeakPolarHBondContact ND1-CG2 3.47Å; D540-T543 PolarHBondContact O-N 2.98Å; D540-T543 VanDerWaalsContact OD1-CB 3.32Å; D540-T543 WeakPolarHBondContact OD1-CB 3.04Å; D540-T543 PolarHBondContact OD1-N 3.39Å; D540-T543 PolarHBondContact OD1-OG1 2.83Å; F541-T543 VanDerWaalsContact C-N 3.31Å; F541-T543 PolarHBondContact O-N 2.89Å; T543-K546 PolarHBondContact O-N 2.86Å; T543-H547 WeakPolarHBondContact O-CB 3.4Å; T543-H547 PolarHBondContact O-N 2.83Å
544I77.6Confident77.7Confident0 Ų054.6 Ų54.60%030%0.295CS..Hα-helixtrans-59-52.5169.3-63.3169.7000110.5F473 L474 Q477 F484 L534 H539 D540 F541 K546 H547 I548F473-I544 HydrophobicContact CE1-CD1 4.05Å; L474-I544 HydrophobicContact CD2-CD1 3.97Å; L474-I544 HydrophobicContact CD2-CG2 4.29Å; Q477-I544 HydrophobicContact CB-CD1 3.94Å; Q477-I544 HydrophobicContact CG-CD1 4.39Å; F484-I544 HydrophobicContact CD1-CG2 4.16Å; F484-I544 HydrophobicContact CE1-CG2 4.05Å; F484-I544 HydrophobicContact CZ-CG2 4.33Å; L534-I544 HydrophobicContact CD2-CG1 4.3Å; L534-I544 HydrophobicContact CD2-CG2 4.02Å; H539-I544 HydrophobicContact CB-CG1 3.91Å; D540-I544 WeakPolarHBondContact O-CG1 3.27Å; D540-I544 PolarHBondContact O-N 3.34Å; F541-I544 PolarHBondContact O-N 2.82Å; I544-K546 VanDerWaalsContact C-N 3.27Å; I544-K546 PolarHBondContact O-N 3.5Å; I544-H547 PolarHBondContact O-N 2.77Å; I544-I548 HydrophobicContact CG2-CG1 4.37Å; I544-I548 WeakPolarHBondContact O-CB 3.46Å; I544-I548 VanDerWaalsContact O-CG1 3.25Å; I544-I548 WeakPolarHBondContact O-CG1 3.28Å; I544-I548 PolarHBondContact O-N 2.67Å
545L75.1Confident78.3Confident12 Ų1255.7 Ų55.76%0.06330%0.3CS..Hα-helixtrans-61.1-36.1177.8176.364000112F218 F484 F541 N549F218-L545 HydrophobicContact CB-CD2 3.59Å; F218-L545 HydrophobicContact CD1-CD2 4.28Å; F218-L545 HydrophobicContact CD2-CD2 4.03Å; F218-L545 HydrophobicContact CG-CD2 3.73Å; F484-L545 HydrophobicContact CB-CD1 3.65Å; F541-L545 HydrophobicContact CE1-CB 3.91Å; F541-L545 HydrophobicContact CE1-CD2 3.83Å; F541-L545 HydrophobicContact CE1-CG 4.48Å; F541-L545 HydrophobicContact CZ-CB 4.05Å; F541-L545 HydrophobicContact CZ-CD2 4.09Å; F541-L545 WeakPolarHBondContact O-CB 3.41Å; F541-L545 PolarHBondContact O-N 3.49Å; L545-N549 VanDerWaalsContact CD1-ND2 3.34Å; L545-N549 WeakPolarHBondContact CD1-ND2 3.48Å; L545-N549 WeakPolarHBondContact O-CB 3.36Å; L545-N549 PolarHBondContact O-N 3.29Å; L545-N549 PolarHBondContact O-ND2 2.82Å
546K79.6Confident79.1Confident118 Ų11857.9 Ų57.951%0.51331%0.312SS..Hα-helixtrans-64.5-51.2174.7-179-169.6163.8-166.50111.1N542 T543 I544 I548 N549 E550N542-K546 VanDerWaalsContact O-CB 3.31Å; N542-K546 WeakPolarHBondContact O-CB 3.42Å; N542-K546 PolarHBondContact O-N 2.97Å; T543-K546 PolarHBondContact O-N 2.86Å; I544-K546 VanDerWaalsContact C-N 3.27Å; I544-K546 PolarHBondContact O-N 3.5Å; K546-I548 PolarHBondContact O-N 2.93Å; K546-N549 PolarHBondContact O-N 3.04Å; K546-E550 WeakPolarHBondContact CE-OE1 3.24Å; K546-E550 IonicContact NZ-OE1 2.72Å; K546-E550 WeakPolarHBondContact O-CG 3.48Å; K546-E550 PolarHBondContact O-N 3.13Å
547H86.7Confident80.5Confident34 Ų3454.5 Ų54.516%0.15728%0.277CS..Hα-helixtrans-55.7-50.5178-177.763.5000111.2Q530 T543 I544 N549 E550 L551Q530-H547 PolarHBondContact OE1-NE2 2.87Å; T543-H547 WeakPolarHBondContact O-CB 3.4Å; T543-H547 PolarHBondContact O-N 2.83Å; I544-H547 PolarHBondContact O-N 2.77Å; H547-N549 VanDerWaalsContact C-N 3.34Å; H547-N549 PolarHBondContact O-N 3.11Å; H547-E550 CarbonylContact O-C 3.56Å; H547-E550 WeakPolarHBondContact O-CA 3.43Å; H547-E550 WeakPolarHBondContact O-CB 3.16Å; H547-E550 PolarHBondContact O-N 3.17Å; H547-L551 WeakPolarHBondContact O-CG 3.32Å; H547-L551 PolarHBondContact O-N 3.36Å
548I85.7Confident82.2Confident2 Ų256.2 Ų56.21%0.0128%0.281CS..Hα-helixtrans-56.2-44.8176.5-69.3-71.5000111.8F484 W488 L527 I544 K546 E550 L551F484-I548 HydrophobicContact CB-CG2 4.26Å; F484-I548 HydrophobicContact CD2-CB 4.5Å; F484-I548 HydrophobicContact CD2-CD1 4.11Å; F484-I548 HydrophobicContact CD2-CG1 3.82Å; F484-I548 HydrophobicContact CD2-CG2 4.2Å; F484-I548 HydrophobicContact CE2-CD1 4.27Å; F484-I548 HydrophobicContact CE2-CG1 4.31Å; F484-I548 HydrophobicContact CG-CG1 4.38Å; W488-I548 HydrophobicContact CH2-CD1 3.89Å; W488-I548 HydrophobicContact CH2-CG2 4.42Å; W488-I548 HydrophobicContact CZ2-CD1 4.11Å; W488-I548 HydrophobicContact CZ2-CG2 3.72Å; L527-I548 HydrophobicContact CD2-CD1 3.91Å; I544-I548 HydrophobicContact CG2-CG1 4.37Å; I544-I548 WeakPolarHBondContact O-CB 3.46Å; I544-I548 VanDerWaalsContact O-CG1 3.25Å; I544-I548 WeakPolarHBondContact O-CG1 3.28Å; I544-I548 PolarHBondContact O-N 2.67Å; K546-I548 PolarHBondContact O-N 2.93Å; I548-E550 VanDerWaalsContact C-N 3.33Å; I548-E550 PolarHBondContact O-N 3.41Å; I548-L551 HydrophobicContact CD1-CD1 4.08Å; I548-L551 WeakPolarHBondContact O-CB 3.36Å; I548-L551 PolarHBondContact O-N 3.26Å
549N79.1Confident83.8Confident29 Ų2952 Ų5216%0.15526%0.264CS..Hα-helixtrans-65.2-35.6174.3-86.5-72.5000112.6R487 L545 K546 H547 L551 T552R487-N549 PolarHBondContact NH1-OD1 2.86Å; L545-N549 VanDerWaalsContact CD1-ND2 3.34Å; L545-N549 WeakPolarHBondContact CD1-ND2 3.48Å; L545-N549 WeakPolarHBondContact O-CB 3.36Å; L545-N549 PolarHBondContact O-N 3.29Å; L545-N549 PolarHBondContact O-ND2 2.82Å; K546-N549 PolarHBondContact O-N 3.04Å; H547-N549 VanDerWaalsContact C-N 3.34Å; H547-N549 PolarHBondContact O-N 3.11Å; N549-L551 PolarHBondContact O-N 2.86Å; N549-T552 VanDerWaalsContact O-CB 3.22Å; N549-T552 WeakPolarHBondContact O-CB 3.35Å; N549-T552 PolarHBondContact O-N 3.29Å; N549-T552 PolarHBondContact O-OG1 2.96Å
550E88.5Confident85.3Confident94 Ų9450.7 Ų50.744%0.43926%0.259SS..Hα-helixtrans-71.3-8.4177.4-74-175.3-167.700113.5K546 H547 I548 T552 K554K546-E550 WeakPolarHBondContact CE-OE1 3.24Å; K546-E550 IonicContact NZ-OE1 2.72Å; K546-E550 WeakPolarHBondContact O-CG 3.48Å; K546-E550 PolarHBondContact O-N 3.13Å; H547-E550 CarbonylContact O-C 3.56Å; H547-E550 WeakPolarHBondContact O-CA 3.43Å; H547-E550 WeakPolarHBondContact O-CB 3.16Å; H547-E550 PolarHBondContact O-N 3.17Å; I548-E550 VanDerWaalsContact C-N 3.33Å; I548-E550 PolarHBondContact O-N 3.41Å; E550-T552 VanDerWaalsContact C-N 3.25Å; E550-T552 PolarHBondContact O-N 3.25Å; E550-K554 WeakPolarHBondContact O-CD 3.35Å; E550-K554 WeakPolarHBondContact O-CE 3.4Å; E550-K554 PolarHBondContact O-NZ 3.01Å
551L89.9Confident86.8Confident12 Ų1247.8 Ų47.86%0.06324%0.243CC..THydrogen-bonded Turntrans-73.6-15.1169.4-54.3176.2000113.6W488 I526 Q530 H547 I548 N549 M553 K554 L555W488-L551 HydrophobicContact CZ2-CD1 4.43Å; I526-L551 HydrophobicContact CG2-CD1 4.17Å; Q530-L551 HydrophobicContact CG-CD1 3.76Å; Q530-L551 HydrophobicContact CG-CD2 4.18Å; H547-L551 WeakPolarHBondContact O-CG 3.32Å; H547-L551 PolarHBondContact O-N 3.36Å; I548-L551 HydrophobicContact CD1-CD1 4.08Å; I548-L551 WeakPolarHBondContact O-CB 3.36Å; I548-L551 PolarHBondContact O-N 3.26Å; N549-L551 PolarHBondContact O-N 2.86Å; L551-M553 PolarHBondContact O-N 3.36Å; L551-K554 WeakPolarHBondContact O-CB 3.43Å; L551-K554 PolarHBondContact O-N 2.96Å; L551-L555 HydrophobicContact CB-CD2 4.16Å; L551-L555 HydrophobicContact CB-CG 4.4Å; L551-L555 HydrophobicContact CD1-CD2 4.45Å
552T90.1Very high88.5Confident51 Ų5149.5 Ų49.531%0.31325%0.252SS..THydrogen-bonded Turntrans-46119.6177.4-63.90000111.3R487 R495 N549 E550 K554R487-T552 PolarHBondContact NH2-OG1 2.97Å; R495-T552 WeakPolarHBondContact O-CG2 3.27Å; N549-T552 VanDerWaalsContact O-CB 3.22Å; N549-T552 WeakPolarHBondContact O-CB 3.35Å; N549-T552 PolarHBondContact O-N 3.29Å; N549-T552 PolarHBondContact O-OG1 2.96Å; E550-T552 VanDerWaalsContact C-N 3.25Å; E550-T552 PolarHBondContact O-N 3.25Å; T552-K554 VanDerWaalsContact C-N 3.26Å; T552-K554 PolarHBondContact O-N 3.22Å
553M90.8Very high90Very high109 Ų10949.4 Ų49.454%0.53725%0.25SC..THydrogen-bonded Turntrans64.718-179-50.5-71.4153.300115.4E496 F497 L551E496-M553 WeakPolarHBondContact O-CA 3.41Å; E496-M553 PolarHBondContact O-N 3.32Å; F497-M553 VanDerWaalsContact C-SD 3.59Å; F497-M553 WeakPolarHBondContact O-CE 3.39Å; F497-M553 VanDerWaalsContact O-SD 3.37Å; L551-M553 PolarHBondContact O-N 3.36Å
554K93.8Very high90.9Very high147 Ų14747 Ų4764%0.63924%0.235SC*.THydrogen-bonded Turntrans-113.9-8.2177.1-58.3-177-171.3157.40114.5E550 L551 T552E550-K554 WeakPolarHBondContact O-CD 3.35Å; E550-K554 WeakPolarHBondContact O-CE 3.4Å; E550-K554 PolarHBondContact O-NZ 3.01Å; L551-K554 WeakPolarHBondContact O-CB 3.43Å; L551-K554 PolarHBondContact O-N 2.96Å; T552-K554 VanDerWaalsContact C-N 3.26Å; T552-K554 PolarHBondContact O-N 3.22Å
555L95.1Very high91.9Very high22 Ų2247.2 Ų47.212%0.11524%0.236CC..  trans-79.2128.1-177.6-60.2176.8000111.2E496 F497 I526 L551 L557E496-L555 HydrophobicContact CB-CD1 3.96Å; F497-L555 HydrophobicContact CD1-CB 4.17Å; F497-L555 HydrophobicContact CE1-CB 3.55Å; F497-L555 HydrophobicContact CE1-CD1 4.26Å; F497-L555 HydrophobicContact CE2-CD1 4.31Å; F497-L555 HydrophobicContact CZ-CB 4.03Å; F497-L555 HydrophobicContact CZ-CD1 3.92Å; I526-L555 HydrophobicContact CD1-CD1 3.81Å; I526-L555 HydrophobicContact CG1-CD1 4.07Å; I526-L555 HydrophobicContact CG2-CD1 4.09Å; I526-L555 HydrophobicContact CG2-CD2 3.97Å; L551-L555 HydrophobicContact CB-CD2 4.16Å; L551-L555 HydrophobicContact CB-CG 4.4Å; L551-L555 HydrophobicContact CD1-CD2 4.45Å; L555-L557 PolarHBondContact O-N 2.9Å
556D96.9Very high92.9Very high91 Ų9146.9 Ų46.949%0.48723%0.234SC..  trans-78.2114.8168.5174.558.7000110.5Q558 S559 V560D556-Q558 VanDerWaalsContact C-N 3.34Å; D556-Q558 PolarHBondContact O-N 2.88Å; D556-S559 WeakPolarHBondContact OD2-CB 3.41Å; D556-S559 PolarHBondContact OD2-N 3.13Å; D556-S559 PolarHBondContact OD2-OG 3.08Å; D556-V560 WeakPolarHBondContact O-CG2 3.43Å; D556-V560 PolarHBondContact O-N 3.03Å
557L97.5Very high93.8Very high0 Ų041.2 Ų41.20%021%0.21CC..Hα-helixtrans-61.3-40.4-176.5176.965.5000112.7F497 D501 T504 L505 L555 V560 L561F497-L557 HydrophobicContact CD1-CB 4.16Å; F497-L557 HydrophobicContact CD1-CD1 4.25Å; F497-L557 HydrophobicContact CE1-CB 4.05Å; F497-L557 HydrophobicContact CE1-CD1 3.96Å; F497-L557 HydrophobicContact CZ-CD1 4.19Å; D501-L557 HydrophobicContact CB-CB 4.21Å; D501-L557 HydrophobicContact CB-CD2 3.9Å; D501-L557 VanDerWaalsContact O-CD2 3.24Å; D501-L557 WeakPolarHBondContact O-CD2 3.49Å; T504-L557 HydrophobicContact CG2-CD2 4.08Å; L505-L557 HydrophobicContact CB-CD1 3.83Å; L505-L557 HydrophobicContact CD1-CD1 4.06Å; L505-L557 HydrophobicContact CD2-CD1 4.42Å; L505-L557 HydrophobicContact CG-CD1 4.31Å; L555-L557 PolarHBondContact O-N 2.9Å; L557-V560 PolarHBondContact O-N 2.69Å; L557-L561 HydrophobicContact CD1-CD1 3.84Å; L557-L561 HydrophobicContact CD1-CD2 4.38Å; L557-L561 HydrophobicContact CD1-CG 3.78Å; L557-L561 HydrophobicContact CD2-CD1 4.11Å; L557-L561 HydrophobicContact CG-CD1 3.67Å; L557-L561 HydrophobicContact CG-CG 4.06Å; L557-L561 WeakPolarHBondContact O-CB 3.49Å; L557-L561 VanDerWaalsContact O-CG 3.28Å; L557-L561 WeakPolarHBondContact O-CG 3.39Å; L557-L561 PolarHBondContact O-N 2.8Å
558Q96.1Very high94.3Very high75 Ų7541.4 Ų41.435%0.3521%0.209SC..Hα-helixtrans-72.1-34.5-173.1-62.9-55.7-37.600112.2D556 L562D556-Q558 VanDerWaalsContact C-N 3.34Å; D556-Q558 PolarHBondContact O-N 2.88Å; Q558-L562 VanDerWaalsContact O-CB 3.22Å; Q558-L562 WeakPolarHBondContact O-CB 3.35Å; Q558-L562 PolarHBondContact O-N 3.22Å
559S96.7Very high94.8Very high70 Ų7045.7 Ų45.749%0.4923%0.226SC..Hα-helixtrans-64.8-45.2170.5-58.90000111.6D556 L562 E563D556-S559 WeakPolarHBondContact OD2-CB 3.41Å; D556-S559 PolarHBondContact OD2-N 3.13Å; D556-S559 PolarHBondContact OD2-OG 3.08Å; S559-L562 PolarHBondContact O-N 2.86Å; S559-E563 PolarHBondContact O-N 3.34Å
560V98.3Very high95.6Very high9 Ų945.4 Ų45.46%0.05522%0.223CC..Hα-helixtrans-63.6-44.8177.51730000111.7F497 I522 S525 I526 D556 L557 L562 A564F497-V560 HydrophobicContact CZ-CG1 4.35Å; F497-V560 HydrophobicContact CZ-CG2 4.46Å; I522-V560 HydrophobicContact CD1-CG1 4.3Å; I522-V560 HydrophobicContact CG2-CG1 3.8Å; S525-V560 PolarHBondContact OG-O 3.44Å; I526-V560 HydrophobicContact CD1-CG1 4.31Å; I526-V560 HydrophobicContact CG1-CG1 3.87Å; I526-V560 HydrophobicContact CG1-CG2 3.95Å; D556-V560 WeakPolarHBondContact O-CG2 3.43Å; D556-V560 PolarHBondContact O-N 3.03Å; L557-V560 PolarHBondContact O-N 2.69Å; V560-L562 VanDerWaalsContact C-N 3.32Å; V560-L562 PolarHBondContact O-N 3.48Å; V560-A564 VanDerWaalsContact O-CB 3.23Å; V560-A564 WeakPolarHBondContact O-CB 3.4Å; V560-A564 PolarHBondContact O-N 3.06Å
561L98.3Very high95.8Very high0 Ų040.9 Ų40.90%020%0.202CC..Hα-helixtrans-64-34.8176.1-73.4175.4000112.8L505 V508 I522 L557 E565L505-L561 HydrophobicContact CD1-CD2 3.84Å; V508-L561 HydrophobicContact CB-CD2 4.28Å; V508-L561 HydrophobicContact CG1-CD2 4.01Å; V508-L561 HydrophobicContact CG2-CD1 4.3Å; V508-L561 HydrophobicContact CG2-CD2 4.37Å; I522-L561 HydrophobicContact CD1-CD2 3.82Å; L557-L561 HydrophobicContact CD1-CD1 3.84Å; L557-L561 HydrophobicContact CD1-CD2 4.38Å; L557-L561 HydrophobicContact CD1-CG 3.78Å; L557-L561 HydrophobicContact CD2-CD1 4.11Å; L557-L561 HydrophobicContact CG-CD1 3.67Å; L557-L561 HydrophobicContact CG-CG 4.06Å; L557-L561 WeakPolarHBondContact O-CB 3.49Å; L557-L561 VanDerWaalsContact O-CG 3.28Å; L557-L561 WeakPolarHBondContact O-CG 3.39Å; L557-L561 PolarHBondContact O-N 2.8Å; L561-E565 PolarHBondContact O-N 3.35Å
562L97.4Very high96Very high47 Ų4743.4 Ų43.425%0.24622%0.218CC..Hα-helixtrans-71.7-52.4177.6-174.8151.5000110.7V270 R272 Q558 S559 V560 A564 E565 V566V270-L562 HydrophobicContact CB-CG 4.5Å; R272-L562 HydrophobicContact CG-CB 4.36Å; R272-L562 HydrophobicContact CG-CD1 4.46Å; Q558-L562 VanDerWaalsContact O-CB 3.22Å; Q558-L562 WeakPolarHBondContact O-CB 3.35Å; Q558-L562 PolarHBondContact O-N 3.22Å; S559-L562 PolarHBondContact O-N 2.86Å; V560-L562 VanDerWaalsContact C-N 3.32Å; V560-L562 PolarHBondContact O-N 3.48Å; L562-A564 VanDerWaalsContact C-N 3.34Å; L562-A564 PolarHBondContact O-N 3.36Å; L562-E565 PolarHBondContact O-N 2.88Å; L562-E565 VanDerWaalsContact O-N 3.13Å; L562-V566 HydrophobicContact CD2-CG2 3.77Å; L562-V566 WeakPolarHBondContact O-CG2 3.24Å; L562-V566 PolarHBondContact O-N 2.88Å
563E97.7Very high96Very high66 Ų6643.9 Ų43.931%0.30823%0.233SC..Hα-helixtrans-66.3-34.6-178.2-73.3-58.1131.900111.9R267 S525 S559 E565 V566 I567R267-E563 IonicContact CZ-OE2 2.76Å; R267-E563 IonicContact NH1-OE2 2.8Å; R267-E563 PolarHBondContact NH1-OE2 3.33Å; S525-E563 WeakPolarHBondContact OG-CB 3.21Å; S559-E563 PolarHBondContact O-N 3.34Å; E563-E565 VanDerWaalsContact C-N 3.32Å; E563-E565 PolarHBondContact O-N 2.98Å; E563-V566 WeakPolarHBondContact O-CB 3.29Å; E563-V566 PolarHBondContact O-N 2.89Å; E563-V566 VanDerWaalsContact O-N 3.16Å; E563-I567 WeakPolarHBondContact O-CB 3.38Å; E563-I567 WeakPolarHBondContact O-CD1 3.36Å; E563-I567 WeakPolarHBondContact O-CG1 3.34Å; E563-I567 PolarHBondContact O-N 3.23Å
564A98.4Very high96Very high0 Ų039.5 Ų39.50%021%0.213CC..Hα-helixtrans-60.2-37.6171.500000113F518 L521 I522 V560 L562 Y568F518-A564 HydrophobicContact CE2-CB 3.67Å; F518-A564 HydrophobicContact CZ-CB 3.65Å; L521-A564 HydrophobicContact CB-CB 4.29Å; I522-A564 HydrophobicContact CD1-CB 3.78Å; V560-A564 VanDerWaalsContact O-CB 3.23Å; V560-A564 WeakPolarHBondContact O-CB 3.4Å; V560-A564 PolarHBondContact O-N 3.06Å; L562-A564 VanDerWaalsContact C-N 3.34Å; L562-A564 PolarHBondContact O-N 3.36Å; A564-Y568 PolarHBondContact O-N 3.26Å
565E97.8Very high95.6Very high4 Ų441 Ų412%0.01922%0.219CC..Hα-helixtrans-74.2-34.7173.3-172.8-176.7177.900112.1V270 F300 R301 L561 L562 E563 Y568 R569V270-E565 HydrophobicContact CG1-CB 4.09Å; V270-E565 HydrophobicContact CG1-CG 3.98Å; V270-E565 WeakPolarHBondContact CG1-OE2 3.4Å; V270-E565 HydrophobicContact CG2-CG 4.39Å; F300-E565 HydrophobicContact CE1-CG 4.33Å; F300-E565 HydrophobicContact CZ-CB 4.33Å; F300-E565 HydrophobicContact CZ-CG 4.11Å; R301-E565 IonicContact CZ-OE1 2.88Å; R301-E565 VanDerWaalsContact CZ-OE1 3.27Å; R301-E565 IonicContact CZ-OE2 3.9Å; R301-E565 IonicContact NH1-OE1 2.95Å; R301-E565 PolarHBondContact NH1-OE1 3.44Å; R301-E565 IonicContact NH1-OE2 2.72Å; R301-E565 PolarHBondContact NH1-OE2 3.01Å; R301-E565 IonicContact NH2-OE1 2.73Å; R301-E565 PolarHBondContact NH2-OE1 2.84Å; R301-E565 IonicContact NH2-OE2 3.8Å; L561-E565 PolarHBondContact O-N 3.35Å; L562-E565 PolarHBondContact O-N 2.88Å; L562-E565 VanDerWaalsContact O-N 3.13Å; E563-E565 VanDerWaalsContact C-N 3.32Å; E563-E565 PolarHBondContact O-N 2.98Å; E565-Y568 PolarHBondContact O-N 2.9Å; E565-R569 HydrophobicContact CG-CG 4.45Å; E565-R569 WeakPolarHBondContact O-CG 3.42Å; E565-R569 PolarHBondContact O-N 2.79Å; E565-R569 IonicContact OE1-CZ 3.91Å; E565-R569 VanDerWaalsContact OE1-CZ 3.26Å; E565-R569 IonicContact OE1-NE 2.73Å; E565-R569 PolarHBondContact OE1-NE 2.84Å; E565-R569 IonicContact OE1-NH2 3.26Å; E565-R569 PolarHBondContact OE1-NH2 2.75Å
566V97.6Very high95.1Very high4 Ų446.1 Ų46.12%0.02425%0.247CC..Hα-helixtrans-60.1-48.9172.5173.40000110.3R267 V270 L562 E563 R569 Q570R267-V566 HydrophobicContact CB-CG1 3.64Å; R267-V566 HydrophobicContact CG-CG1 3.62Å; V270-V566 HydrophobicContact CB-CG2 3.76Å; V270-V566 HydrophobicContact CG2-CB 4.39Å; V270-V566 HydrophobicContact CG2-CG2 3.58Å; L562-V566 HydrophobicContact CD2-CG2 3.77Å; L562-V566 WeakPolarHBondContact O-CG2 3.24Å; L562-V566 PolarHBondContact O-N 2.88Å; E563-V566 WeakPolarHBondContact O-CB 3.29Å; E563-V566 PolarHBondContact O-N 2.89Å; E563-V566 VanDerWaalsContact O-N 3.16Å; V566-R569 PolarHBondContact O-N 2.88Å; V566-Q570 WeakPolarHBondContact O-CB 3.16Å; V566-Q570 PolarHBondContact O-N 2.71Å
567I97.2Very high94.8Very high0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-54.6-53174.8-73.5164.7000110.5L466 L521 C524 E528 E563 R569 Q570 L571L466-I567 HydrophobicContact CD1-CG2 3.65Å; L466-I567 HydrophobicContact CD2-CG2 3.83Å; L466-I567 HydrophobicContact CG-CG2 4.39Å; L521-I567 HydrophobicContact CD1-CG2 4.48Å; L521-I567 HydrophobicContact CD2-CG2 3.89Å; C524-I567 HydrophobicContact CB-CD1 4.3Å; E528-I567 WeakPolarHBondContact OE2-CD1 3.49Å; E528-I567 WeakPolarHBondContact OE2-CG1 3.44Å; E563-I567 WeakPolarHBondContact O-CB 3.38Å; E563-I567 WeakPolarHBondContact O-CD1 3.36Å; E563-I567 WeakPolarHBondContact O-CG1 3.34Å; E563-I567 PolarHBondContact O-N 3.23Å; I567-R569 VanDerWaalsContact C-N 3.35Å; I567-R569 PolarHBondContact O-N 2.79Å; I567-Q570 PolarHBondContact O-N 3.01Å; I567-Q570 VanDerWaalsContact O-N 3.16Å; I567-L571 HydrophobicContact CG2-CD1 3.99Å; I567-L571 WeakPolarHBondContact O-CG 3.32Å; I567-L571 PolarHBondContact O-N 2.94Å
568Y97.3Very high94.4Very high38 Ų3843.7 Ų43.715%0.14924%0.235CC..Hα-helixtrans-53.6-51.5177.9173.9-98.3000111.8P514 C515 L521 A564 E565 Q570 L571 V572 L585P514-Y568 HydrophobicContact CB-CD1 3.74Å; P514-Y568 HydrophobicContact CB-CD2 4.41Å; P514-Y568 HydrophobicContact CB-CE1 3.51Å; P514-Y568 HydrophobicContact CB-CE2 4.2Å; P514-Y568 HydrophobicContact CB-CG 4.19Å; P514-Y568 HydrophobicContact CG-CD1 3.43Å; P514-Y568 VanDerWaalsContact CG-CD1 3.43Å; P514-Y568 HydrophobicContact CG-CD2 3.66Å; P514-Y568 HydrophobicContact CG-CE1 3.7Å; P514-Y568 HydrophobicContact CG-CE2 3.91Å; P514-Y568 HydrophobicContact CG-CG 3.4Å; P514-Y568 PolarHBondContact O-OH 3.07Å; C515-Y568 HydrophobicContact CB-CD2 4.36Å; C515-Y568 HydrophobicContact CB-CE2 3.75Å; L521-Y568 HydrophobicContact CD1-CD2 3.95Å; L521-Y568 HydrophobicContact CD1-CG 4.28Å; A564-Y568 PolarHBondContact O-N 3.26Å; E565-Y568 PolarHBondContact O-N 2.9Å; Y568-Q570 VanDerWaalsContact C-N 3.32Å; Y568-Q570 PolarHBondContact O-N 2.87Å; Y568-L571 PolarHBondContact O-N 3.44Å; Y568-V572 HydrophobicContact CD1-CG2 4.27Å; Y568-V572 HydrophobicContact CD2-CG2 4.19Å; Y568-V572 HydrophobicContact CE1-CG2 3.83Å; Y568-V572 HydrophobicContact CE2-CG2 3.76Å; Y568-V572 HydrophobicContact CG-CG2 4.45Å; Y568-V572 WeakPolarHBondContact O-CB 3.34Å; Y568-V572 VanDerWaalsContact O-CG2 3.31Å; Y568-V572 WeakPolarHBondContact O-CG2 3.5Å; Y568-V572 PolarHBondContact O-N 3.14Å; Y568-L585 HydrophobicContact CD2-CD2 4.39Å
569R96.2Very high94.1Very high92 Ų9247 Ų4735%0.34724%0.244SC..Hα-helixtrans-67.9-30.8-178.6-68.1179.4-175.6-155.94112.6P268 E565 V566 I567 G573P268-R569 HydrophobicContact CB-CB 4.44Å; P268-R569 HydrophobicContact CG-CB 3.47Å; P268-R569 VanDerWaalsContact CG-CB 3.47Å; E565-R569 HydrophobicContact CG-CG 4.45Å; E565-R569 WeakPolarHBondContact O-CG 3.42Å; E565-R569 PolarHBondContact O-N 2.79Å; E565-R569 IonicContact OE1-CZ 3.91Å; E565-R569 VanDerWaalsContact OE1-CZ 3.26Å; E565-R569 IonicContact OE1-NE 2.73Å; E565-R569 PolarHBondContact OE1-NE 2.84Å; E565-R569 IonicContact OE1-NH2 3.26Å; E565-R569 PolarHBondContact OE1-NH2 2.75Å; V566-R569 PolarHBondContact O-N 2.88Å; I567-R569 VanDerWaalsContact C-N 3.35Å; I567-R569 PolarHBondContact O-N 2.79Å; R569-G573 PolarHBondContact O-N 3.01Å
570Q95.4Very high93.9Very high22 Ų2246.6 Ų46.610%0.10324%0.235CC..Hα-helixtrans-68.6-44.4175.8-168.1-177.28.400111L264 G265 R267 V566 I567 Y568 G573 C574L264-Q570 HydrophobicContact CB-CG 4.31Å; G265-Q570 WeakPolarHBondContact O-CG 3.4Å; G265-Q570 PolarHBondContact O-NE2 3.13Å; R267-Q570 VanDerWaalsContact CG-OE1 3.29Å; V566-Q570 WeakPolarHBondContact O-CB 3.16Å; V566-Q570 PolarHBondContact O-N 2.71Å; I567-Q570 PolarHBondContact O-N 3.01Å; I567-Q570 VanDerWaalsContact O-N 3.16Å; Y568-Q570 VanDerWaalsContact C-N 3.32Å; Y568-Q570 PolarHBondContact O-N 2.87Å; Q570-G573 PolarHBondContact O-N 3.08Å; Q570-C574 PolarHBondContact O-N 3.33Å
571L94.4Very high93.6Very high0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-64.1-51.9175.1-66.1170.7000110.9L264 L462 L466 L521 I567 Y568 G573 C574 L577 V581 L585L264-L571 HydrophobicContact CD1-CD2 4.4Å; L264-L571 HydrophobicContact CD2-CD2 4.04Å; L462-L571 HydrophobicContact CD2-CD1 4.11Å; L466-L571 HydrophobicContact CD2-CD1 4.13Å; L466-L571 HydrophobicContact CD2-CD2 3.8Å; L466-L571 HydrophobicContact CD2-CG 3.99Å; L466-L571 HydrophobicContact CG-CD1 4.43Å; L466-L571 HydrophobicContact CG-CD2 4.27Å; L521-L571 HydrophobicContact CD2-CD1 4.34Å; I567-L571 HydrophobicContact CG2-CD1 3.99Å; I567-L571 WeakPolarHBondContact O-CG 3.32Å; I567-L571 PolarHBondContact O-N 2.94Å; Y568-L571 PolarHBondContact O-N 3.44Å; L571-G573 PolarHBondContact O-N 3.11Å; L571-C574 VanDerWaalsContact O-CB 3.26Å; L571-C574 WeakPolarHBondContact O-CB 3.24Å; L571-C574 PolarHBondContact O-N 2.66Å; L571-L577 HydrophobicContact CB-CD1 4.13Å; L571-L577 HydrophobicContact CB-CD2 4.36Å; L571-L577 HydrophobicContact CD2-CD1 3.81Å; L571-L577 WeakPolarHBondContact O-CD2 3.48Å; L571-V581 HydrophobicContact CD2-CG1 4.49Å; L571-L585 HydrophobicContact CB-CD1 3.85Å; L571-L585 HydrophobicContact CD1-CD1 4.03Å
572V93.1Very high93.4Very high65 Ų6549.3 Ų49.339%0.39425%0.246SC..Hα-helixtrans-60-32.3177.1172.10000112.5Y568 C574 L587Y568-V572 HydrophobicContact CD1-CG2 4.27Å; Y568-V572 HydrophobicContact CD2-CG2 4.19Å; Y568-V572 HydrophobicContact CE1-CG2 3.83Å; Y568-V572 HydrophobicContact CE2-CG2 3.76Å; Y568-V572 HydrophobicContact CG-CG2 4.45Å; Y568-V572 WeakPolarHBondContact O-CB 3.34Å; Y568-V572 VanDerWaalsContact O-CG2 3.31Å; Y568-V572 WeakPolarHBondContact O-CG2 3.5Å; Y568-V572 PolarHBondContact O-N 3.14Å; V572-C574 VanDerWaalsContact C-N 3.28Å; V572-C574 PolarHBondContact O-N 2.71Å; V572-L587 HydrophobicContact CG2-CD1 3.79Å; V572-L587 HydrophobicContact CG2-CD2 4.1Å
573G91.1Very high93.2Very high61 Ų6152.2 Ų52.263%0.62926%0.259SS*.THydrogen-bonded Turntrans-74.8-11.2175.200000114.8R569 Q570 L571R569-G573 PolarHBondContact O-N 3.01Å; Q570-G573 PolarHBondContact O-N 3.08Å; L571-G573 PolarHBondContact O-N 3.11Å
574C90.1Very high93Very high16 Ų1649.3 Ų49.311%0.10825%0.246CC..  trans-80.7122.9176.9-173.90000110.7V262 L264 Q570 L571 V572 L577V262-C574 WeakPolarHBondContact CG1-SG 3.43Å; L264-C574 HydrophobicContact CD2-CB 4.2Å; Q570-C574 PolarHBondContact O-N 3.33Å; L571-C574 VanDerWaalsContact O-CB 3.26Å; L571-C574 WeakPolarHBondContact O-CB 3.24Å; L571-C574 PolarHBondContact O-N 2.66Å; V572-C574 VanDerWaalsContact C-N 3.28Å; V572-C574 PolarHBondContact O-N 2.71Å; C574-L577 HydrophobicContact CB-CB 4.2Å; C574-L577 HydrophobicContact CB-CD1 4.26Å
575K84.3Confident92.8Very high180 Ų18049.5 Ų49.578%0.78325%0.247SC*.THydrogen-bonded Turntrans-61.5-53.2-179.6-62.9175.3-177.8174.30111.1L577 K582K575-L577 VanDerWaalsContact C-N 3.26Å; K575-L577 PolarHBondContact O-N 3.18Å; K575-K582 PolarHBondContact O-NZ 2.93Å
576D86.5Confident92.5Very high129 Ų12951.7 Ų51.769%0.6927%0.27SS*.THydrogen-bonded Turntrans-95.628.6-169-50.4-63.5000111.7
577L88.9Confident92Very high5 Ų554.9 Ų54.93%0.02629%0.286CS..  trans-57.4129.9177.2-170.273.7000110.9L571 C574 K575 V581 K582 L585 L587L571-L577 HydrophobicContact CB-CD1 4.13Å; L571-L577 HydrophobicContact CB-CD2 4.36Å; L571-L577 HydrophobicContact CD2-CD1 3.81Å; L571-L577 WeakPolarHBondContact O-CD2 3.48Å; C574-L577 HydrophobicContact CB-CB 4.2Å; C574-L577 HydrophobicContact CB-CD1 4.26Å; K575-L577 VanDerWaalsContact C-N 3.26Å; K575-L577 PolarHBondContact O-N 3.18Å; L577-V581 HydrophobicContact CD1-CB 4.27Å; L577-V581 HydrophobicContact CD1-CG1 3.85Å; L577-V581 HydrophobicContact CD2-CB 4.5Å; L577-V581 HydrophobicContact CD2-CG1 4.05Å; L577-V581 HydrophobicContact CG-CB 4.14Å; L577-V581 HydrophobicContact CG-CG1 4.01Å; L577-K582 HydrophobicContact CB-CG 4.34Å; L577-K582 HydrophobicContact CD2-CG 3.81Å; L577-K582 HydrophobicContact CG-CG 4.21Å; L577-K582 WeakPolarHBondContact O-CD 3.38Å; L577-K582 VanDerWaalsContact O-CE 3.32Å; L577-K582 WeakPolarHBondContact O-CE 3.37Å; L577-K582 PolarHBondContact O-NZ 3.28Å; L577-L585 HydrophobicContact CD2-CD1 4.29Å; L577-L587 HydrophobicContact CD2-CD1 4.16Å
578P90.3Very high91.2Very high34 Ų3457.3 Ų57.322%0.22130%0.303CS..  trans-59.1149.4-175-27.135.1000114.7V262 Q580 V581 K582V262-P578 HydrophobicContact CG2-CG 4.34Å; P578-Q580 VanDerWaalsContact C-N 3.27Å; P578-Q580 PolarHBondContact O-N 3.42Å; P578-V581 HydrophobicContact CB-CG2 4.18Å; P578-V581 HydrophobicContact CG-CG2 4.27Å; P578-V581 PolarHBondContact O-N 3.45Å; P578-V581 VanDerWaalsContact O-N 3.13Å; P578-K582 PolarHBondContact O-N 3.45Å
579R90.3Very high89.2Confident144 Ų14458.3 Ų58.354%0.54333%0.325SS..Hα-helixtrans-56.4-40.5179.3-175.3170.4176.8141.7-3.5111.7K582 Q583 E595R579-K582 PolarHBondContact O-N 3.44Å; R579-Q583 WeakPolarHBondContact O-CG 3.38Å; R579-Q583 PolarHBondContact O-N 2.82Å; R579-Q583 PolarHBondContact O-OE1 2.89Å; R579-E595 IonicContact CZ-OE2 2.86Å; R579-E595 IonicContact NH1-OE1 3.18Å; R579-E595 IonicContact NH1-OE2 3.82Å; R579-E595 IonicContact NH2-OE2 2.77Å; R579-E595 PolarHBondContact NH2-OE2 2.88Å
580Q90.8Very high86.8Confident62 Ų6259.7 Ų59.729%0.2935%0.346SS..Hα-helixtrans-60.8-48.2176.2-62.2176.65.700112I258 I461 P578 K582 Q583 V584I258-Q580 VanDerWaalsContact CD1-OE1 3.26Å; I461-Q580 HydrophobicContact CG2-CB 4.08Å; P578-Q580 VanDerWaalsContact C-N 3.27Å; P578-Q580 PolarHBondContact O-N 3.42Å; Q580-K582 PolarHBondContact O-N 2.91Å; Q580-Q583 WeakPolarHBondContact O-CB 3.41Å; Q580-Q583 PolarHBondContact O-N 2.85Å; Q580-Q583 VanDerWaalsContact O-N 3.12Å; Q580-V584 WeakPolarHBondContact O-CG2 3.46Å; Q580-V584 PolarHBondContact O-N 2.77Å
581V93.3Very high84Confident2 Ų263.2 Ų63.21%0.01237%0.37CS..Hα-helixtrans-64.2-40.7177.5-177.10000111.1I461 L462 A465 L571 L577 P578 Q583 V584 L585I461-V581 HydrophobicContact CG2-CG2 3.9Å; L462-V581 HydrophobicContact CD2-CG1 4.05Å; A465-V581 HydrophobicContact CB-CG2 3.7Å; L571-V581 HydrophobicContact CD2-CG1 4.49Å; L577-V581 HydrophobicContact CD1-CB 4.27Å; L577-V581 HydrophobicContact CD1-CG1 3.85Å; L577-V581 HydrophobicContact CD2-CB 4.5Å; L577-V581 HydrophobicContact CD2-CG1 4.05Å; L577-V581 HydrophobicContact CG-CB 4.14Å; L577-V581 HydrophobicContact CG-CG1 4.01Å; P578-V581 HydrophobicContact CB-CG2 4.18Å; P578-V581 HydrophobicContact CG-CG2 4.27Å; P578-V581 PolarHBondContact O-N 3.45Å; P578-V581 VanDerWaalsContact O-N 3.13Å; V581-Q583 VanDerWaalsContact C-N 3.28Å; V581-Q583 PolarHBondContact O-N 2.96Å; V581-V584 PolarHBondContact O-N 3.16Å; V581-L585 HydrophobicContact CG1-CD1 4.09Å; V581-L585 HydrophobicContact CG1-CG 4.42Å; V581-L585 WeakPolarHBondContact O-CG 3.32Å; V581-L585 PolarHBondContact O-N 3.42Å
582K92.9Very high81.1Confident65 Ų6566.4 Ų66.428%0.28339%0.393SS..Hα-helixtrans-59.9-36.1172.9-73.4171.8164.8135.60112.3K575 L577 P578 R579 Q580 G586 L587 C588K575-K582 PolarHBondContact O-NZ 2.93Å; L577-K582 HydrophobicContact CB-CG 4.34Å; L577-K582 HydrophobicContact CD2-CG 3.81Å; L577-K582 HydrophobicContact CG-CG 4.21Å; L577-K582 WeakPolarHBondContact O-CD 3.38Å; L577-K582 VanDerWaalsContact O-CE 3.32Å; L577-K582 WeakPolarHBondContact O-CE 3.37Å; L577-K582 PolarHBondContact O-NZ 3.28Å; P578-K582 PolarHBondContact O-N 3.45Å; R579-K582 PolarHBondContact O-N 3.44Å; Q580-K582 PolarHBondContact O-N 2.91Å; K582-G586 PolarHBondContact O-N 2.95Å; K582-L587 HydrophobicContact CB-CB 4.21Å; K582-L587 HydrophobicContact CG-CB 4.43Å; K582-L587 WeakPolarHBondContact O-CB 3.16Å; K582-L587 PolarHBondContact O-N 2.86Å; K582-C588 VanDerWaalsContact CB-SG 3.52Å; K582-C588 PolarHBondContact O-N 2.96Å
583Q93.9Very high78.6Confident107 Ų10768.7 Ų68.750%0.541%0.409SS..Hα-helixtrans-67.9-46.3173.7-72.3165.7-4500111.9R579 Q580 V581 L585 G586 C588R579-Q583 WeakPolarHBondContact O-CG 3.38Å; R579-Q583 PolarHBondContact O-N 2.82Å; R579-Q583 PolarHBondContact O-OE1 2.89Å; Q580-Q583 WeakPolarHBondContact O-CB 3.41Å; Q580-Q583 PolarHBondContact O-N 2.85Å; Q580-Q583 VanDerWaalsContact O-N 3.12Å; V581-Q583 VanDerWaalsContact C-N 3.28Å; V581-Q583 PolarHBondContact O-N 2.96Å; Q583-L585 VanDerWaalsContact C-N 3.27Å; Q583-L585 PolarHBondContact O-N 2.83Å; Q583-G586 PolarHBondContact O-N 2.88Å; Q583-G586 VanDerWaalsContact O-N 3.12Å; Q583-C588 HydrophobicContact CG-CB 4.08Å
584V94.3Very high76.1Confident6 Ų669 Ų694%0.03641%0.406CS..Hα-helixtrans-60.1-37.3177.8-178.40000112.1Q458 I461 L462 N517 L520 Q580 V581 G586Q458-V584 HydrophobicContact CB-CG1 3.87Å; Q458-V584 HydrophobicContact CB-CG2 3.94Å; Q458-V584 HydrophobicContact CG-CG1 4.28Å; Q458-V584 HydrophobicContact CG-CG2 3.77Å; I461-V584 HydrophobicContact CG2-CG2 4.38Å; L462-V584 HydrophobicContact CD1-CG1 3.63Å; L462-V584 HydrophobicContact CD2-CG1 4.26Å; L462-V584 HydrophobicContact CG-CG1 3.92Å; N517-V584 PolarHBondContact ND2-O 2.84Å; L520-V584 HydrophobicContact CD1-CG1 3.87Å; Q580-V584 WeakPolarHBondContact O-CG2 3.46Å; Q580-V584 PolarHBondContact O-N 2.77Å; V581-V584 PolarHBondContact O-N 3.16Å; V584-G586 VanDerWaalsContact C-N 3.32Å; V584-G586 PolarHBondContact O-N 3Å
585L93.9Very high73.6Confident4 Ų474.6 Ų74.62%0.02143%0.431CS..THydrogen-bonded Turntrans-830.2179.2-64-179.3000114.7L462 C515 L521 Y568 L571 L577 V581 Q583 L587L462-L585 HydrophobicContact CD2-CD2 4.03Å; L462-L585 HydrophobicContact CD2-CG 4.32Å; C515-L585 WeakPolarHBondContact CB-O 3.26Å; L521-L585 HydrophobicContact CD1-CD2 3.89Å; L521-L585 HydrophobicContact CD2-CD2 4.18Å; L521-L585 HydrophobicContact CG-CD2 4.33Å; Y568-L585 HydrophobicContact CD2-CD2 4.39Å; L571-L585 HydrophobicContact CB-CD1 3.85Å; L571-L585 HydrophobicContact CD1-CD1 4.03Å; L577-L585 HydrophobicContact CD2-CD1 4.29Å; V581-L585 HydrophobicContact CG1-CD1 4.09Å; V581-L585 HydrophobicContact CG1-CG 4.42Å; V581-L585 WeakPolarHBondContact O-CG 3.32Å; V581-L585 PolarHBondContact O-N 3.42Å; Q583-L585 VanDerWaalsContact C-N 3.27Å; Q583-L585 PolarHBondContact O-N 2.83Å; L585-L587 VanDerWaalsContact C-N 3.26Å; L585-L587 HydrophobicContact CB-CD1 3.74Å; L585-L587 HydrophobicContact CB-CG 3.71Å; L585-L587 HydrophobicContact CD1-CD1 3.84Å; L585-L587 HydrophobicContact CG-CD1 4.46Å; L585-L587 PolarHBondContact O-N 2.88Å
586G90.8Very high71.2Confident50 Ų5073.7 Ų73.752%0.51543%0.429SS..THydrogen-bonded Turntrans69.319.6-17700000114.6K582 Q583 V584K582-G586 PolarHBondContact O-N 2.95Å; Q583-G586 PolarHBondContact O-N 2.88Å; Q583-G586 VanDerWaalsContact O-N 3.12Å; V584-G586 VanDerWaalsContact C-N 3.32Å; V584-G586 PolarHBondContact O-N 3Å
587L87.1Confident68.4Low70 Ų7071.4 Ų71.437%0.36642%0.423SS..  trans-88.3-17.5-176.9-55.7173.1000113.1V572 L577 K582 L585V572-L587 HydrophobicContact CG2-CD1 3.79Å; V572-L587 HydrophobicContact CG2-CD2 4.1Å; L577-L587 HydrophobicContact CD2-CD1 4.16Å; K582-L587 HydrophobicContact CB-CB 4.21Å; K582-L587 HydrophobicContact CG-CB 4.43Å; K582-L587 WeakPolarHBondContact O-CB 3.16Å; K582-L587 PolarHBondContact O-N 2.86Å; L585-L587 VanDerWaalsContact C-N 3.26Å; L585-L587 HydrophobicContact CB-CD1 3.74Å; L585-L587 HydrophobicContact CB-CG 3.71Å; L585-L587 HydrophobicContact CD1-CD1 3.84Å; L585-L587 HydrophobicContact CG-CD1 4.46Å; L585-L587 PolarHBondContact O-N 2.88Å
588C79.5Confident66Low51 Ų5176.3 Ų76.335%0.34546%0.455SS..SBendtrans-79.5123.8166.6-71.20000109.2K582 Q583K582-C588 VanDerWaalsContact CB-SG 3.52Å; K582-C588 PolarHBondContact O-N 2.96Å; Q583-C588 HydrophobicContact CG-CB 4.08Å
589G56Low63.4Low59 Ų5981.3 Ų81.361%0.60848%0.48SS*.PPolyproline II helixtrans-64.4172.4164.700000111.9
590P45.1Very low60.8Low122 Ų12278.6 Ų78.679%0.79248%0.483SS*.SBendtrans-54.5148.1167.726.9-35000109.8S592P590-S592 PolarHBondContact O-N 2.93Å
591P37.8Very low58.2Low95 Ų9583.2 Ų83.262%0.61751%0.505SS*.PPolyproline II helixtrans-54129.3179.423.3-33.2000109.6
592S34.3Very low55.6Low68 Ų6886.2 Ų86.248%0.47653%0.526SS..PPolyproline II helixtrans-65.3133.6176.2-179.40000108.3P590 A594 E595P590-S592 PolarHBondContact O-N 2.93Å; S592-A594 PolarHBondContact O-N 3.45Å; S592-E595 PolarHBondContact O-N 2.9Å
593P39.6Very low53Low113 Ų11386.6 Ų86.673%0.73454%0.537SS*.THydrogen-bonded Turntrans-65.55.417628.3-35.3000113.6
594A37.8Very low50.3Low68 Ų6888.1 Ų88.156%0.56254%0.544SS*.THydrogen-bonded Turntrans-81.8-25.6164.900000113.5S592 E596 S597S592-A594 PolarHBondContact O-N 3.45Å; A594-E596 VanDerWaalsContact C-N 3.34Å; A594-S597 PolarHBondContact O-OG 3.3Å
595E37.3Very low47.6Very low133 Ų13392 Ų9262%0.62157%0.567SS**THydrogen-bonded Turntrans-75.6-24172.4-66.4-167.9162.800111.2R579 S592 S597R579-E595 IonicContact CZ-OE2 2.86Å; R579-E595 IonicContact NH1-OE1 3.18Å; R579-E595 IonicContact NH1-OE2 3.82Å; R579-E595 IonicContact NH2-OE2 2.77Å; R579-E595 PolarHBondContact NH2-OE2 2.88Å; S592-E595 PolarHBondContact O-N 2.9Å; E595-S597 PolarHBondContact O-N 2.86Å
596E34Very low45Very low160 Ų16099 Ų9975%0.74860%0.6SS**SBendtrans-96.168.9167.6-69.9-172163.800111.6A594 P598A594-E596 VanDerWaalsContact C-N 3.34Å; E596-P598 VanDerWaalsContact O-CD 3.24Å; E596-P598 WeakPolarHBondContact O-CD 3.38Å
597S28.1Very low42.5Very low82 Ų82105.9 Ų105.957%0.57361%0.611SS**  trans-93.8105.4173.7-68.80000111.3A594 E595 D599A594-S597 PolarHBondContact O-OG 3.3Å; E595-S597 PolarHBondContact O-N 2.86Å; S597-D599 PolarHBondContact O-N 2.82Å; S597-D599 VanDerWaalsContact O-N 3.15Å
598P38.8Very low40.2Very low107 Ų107109 Ų10970%0.69563%0.627SS**  trans-75.36178.732.2-37.1000114.4E596 S600E596-P598 VanDerWaalsContact O-CD 3.24Å; E596-P598 WeakPolarHBondContact O-CD 3.38Å; P598-S600 VanDerWaalsContact C-N 3.27Å; P598-S600 PolarHBondContact O-N 3.04Å
599D36.5Very low38.4Very low140 Ų140112.6 Ų112.675%0.74964%0.642SS**THydrogen-bonded Turntrans-80.965.3-176.7-80.6-36.1000113.1S597S597-D599 PolarHBondContact O-N 2.82Å; S597-D599 VanDerWaalsContact O-N 3.15Å
600S35.4Very low37.6Very low86 Ų86113 Ų11360%0.60165%0.647SS**THydrogen-bonded Turntrans-142.2-39.9162.763.10000113P598P598-S600 VanDerWaalsContact C-N 3.27Å; P598-S600 PolarHBondContact O-N 3.04Å
601Q36.9Very low37.4Very low160 Ų160115.5 Ų115.575%0.74865%0.648SS**THydrogen-bonded Turntrans-86.6-10.7-174.6-63.7-170.9-3.200115.2T605Q601-T605 PolarHBondContact O-OG1 2.9Å; Q601-T605 VanDerWaalsContact O-OG1 3.13Å
602S37Very low37.5Very low65 Ų65114.8 Ų114.846%0.45565%0.65SS.*Hα-helixtrans-67.8-44.1175.151.30000112.6E604S602-E604 PolarHBondContact O-N 3.44Å
603S38.3Very low37.7Very low73 Ų73120.7 Ų120.751%0.5167%0.67SS.*Hα-helixtrans-75.6-20.5-167.8750000116R607S603-R607 WeakPolarHBondContact O-CG 3.47Å
604E37.2Very low37.4Very low139 Ų139119.4 Ų119.465%0.6568%0.677SS**Hα-helixtrans-89.8-34.1-178.8-164.2153.8-128.100111.8S602 R607 L608S602-E604 PolarHBondContact O-N 3.44Å; E604-R607 PolarHBondContact O-N 3.39Å; E604-L608 HydrophobicContact CG-CD1 4.5Å; E604-L608 PolarHBondContact O-N 3.37Å; E604-L608 VanDerWaalsContact O-N 3.12Å
605T37.9Very low37Very low86 Ų86119.5 Ų119.553%0.52869%0.685SS.*Hα-helixtrans-64.3-44177.3-50.90000111.9Q601 R607 L608 L609Q601-T605 PolarHBondContact O-OG1 2.9Å; Q601-T605 VanDerWaalsContact O-OG1 3.13Å; T605-R607 VanDerWaalsContact C-N 3.33Å; T605-R607 PolarHBondContact O-N 3.1Å; T605-L608 PolarHBondContact O-N 3.29Å; T605-L609 HydrophobicContact CG2-CD1 4.28Å; T605-L609 PolarHBondContact O-N 2.65Å; T605-L609 VanDerWaalsContact O-N 3.15Å
606E39.3Very low36.6Very low152 Ų152118 Ų11871%0.7170%0.695SS**Hα-helixtrans-65.4-34.7174.8-69.1-165.5138.100112.6L608 L609 G610E606-L608 PolarHBondContact O-N 2.61Å; E606-L609 PolarHBondContact O-N 3.13Å; E606-G610 PolarHBondContact O-N 2.81Å
607R38.7Very low36.5Very low195 Ų195114.5 Ų114.574%0.73669%0.694SS**Hα-helixtrans-67.7-32.8178.1-82.6-179.9166.5-168.6-1.3113.4S603 E604 T605S603-R607 WeakPolarHBondContact O-CG 3.47Å; E604-R607 PolarHBondContact O-N 3.39Å; T605-R607 VanDerWaalsContact C-N 3.33Å; T605-R607 PolarHBondContact O-N 3.1Å
608L39Very low36.8Very low134 Ų134116.2 Ų116.270%0.70271%0.705SS**Hα-helixtrans-79-36.5177.3-71.3168.2000112.2E604 T605 E606E604-L608 HydrophobicContact CG-CD1 4.5Å; E604-L608 PolarHBondContact O-N 3.37Å; E604-L608 VanDerWaalsContact O-N 3.12Å; T605-L608 PolarHBondContact O-N 3.29Å; E606-L608 PolarHBondContact O-N 2.61Å
609L40.6Very low36.4Very low127 Ų127116.4 Ų116.467%0.66571%0.709SS**Hα-helixtrans-69.8-35.6174.3-70.9168.5000112.4T605 E606 Q611 A612T605-L609 HydrophobicContact CG2-CD1 4.28Å; T605-L609 PolarHBondContact O-N 2.65Å; T605-L609 VanDerWaalsContact O-N 3.15Å; E606-L609 PolarHBondContact O-N 3.13Å; L609-Q611 PolarHBondContact O-N 2.69Å; L609-A612 PolarHBondContact O-N 3.13Å
610G40.2Very low36Very low69 Ų69118.6 Ų118.671%0.71172%0.715SS**THydrogen-bonded Turntrans-66.2-0.6-179.700000116.8E606E606-G610 PolarHBondContact O-N 2.81Å
611Q40.1Very low35.8Very low174 Ų174120.7 Ų120.781%0.81372%0.724SS**THydrogen-bonded Turntrans-112.9-1178.1-62-169.412.900114.3L609L609-Q611 PolarHBondContact O-N 2.69Å
612A40.6Very low36Very low80 Ų80118.5 Ų118.566%0.66172%0.723SS**SBendtrans-86.7-33.6-17300000114.9L609 G614L609-A612 PolarHBondContact O-N 3.13Å; A612-G614 PolarHBondContact O-N 3.08Å
613E38.6Very low35.6Very low192 Ų192120.5 Ų120.590%0.89774%0.737SS**  trans-104.964.1-171.4-62.1-158.1144.500113.2
614G33.7Very low35.2Very low85 Ų85122.3 Ų122.388%0.87675%0.749SS**  trans-91.521.9-178.900000116.5A612A612-G614 PolarHBondContact O-N 3.08Å
615G28.3Very low35.7Very low71 Ų71124.9 Ų124.973%0.73278%0.778SS**  trans162.7150.2176.800000113.4
616A30.7Very low35.6Very low101 Ų101126.9 Ų126.984%0.83579%0.79SS**  cis-158.6172.1600000113.4
617A31.7Very low35.4Very low87 Ų87125.5 Ų125.572%0.71979%0.794SS**  trans67.584.4154.800000120.7
618S33.1Very low35.2Very low117 Ų117121.7 Ų121.782%0.81880%0.798SS**  trans14.6128.2130.359.90000122.1
619S30.8Very low35Very low112 Ų112120.9 Ų120.978%0.78380%0.803SS**  trans-165.3131.8130.857.70000115.3
620H28.5Very low34.6Very low185 Ų185120.6 Ų120.686%0.85681%0.812SS**  trans31.9104.8153.6-69.1-76000124
621V30.2Very low34.2Very low131 Ų131124 Ų12479%0.79482%0.818SS**  -16.4147.3128.9176.60000115.7
622P41.8Very low33.8Very low113 Ų113120.4 Ų120.473%0.73482%0.819SS**  cis-119.5-154.713.223.43.3000112.7
623S29.3Very low33.3Very low107 Ų107123.5 Ų123.575%0.74883%0.831SS**  cis-162.1166.321-39.90000114.6
624C28.2Very low32.8Very low112 Ų112117.8 Ų117.876%0.75783%0.825SS**  trans-75.8172161.1-88.20000112.3
625P48.1Very low32.8Very low193 Ų193120.8 Ų120.8100%1.25382%0.821SS**  cis-68.2021.8-22.235.9000116.1

Retrieved 625 of 625 residues in 207.2 ms (Link to these results)

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