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Eukaryotic translation initiation factor 3 subunit H

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is required for several steps in the initiation of protein synthesis. The eIF-3 complex associates with the 40S ribosome and facilitates the recruitment of eIF-1, eIF-1A, eIF-2:GTP:methionyl-tRNAi and eIF-5 to form the 43S pre-initiation complex (43S PIC). The eIF-3 complex stimulates mRNA recruitment to the 43S PIC and scanning of the mRNA for AUG recognition. The eIF-3 complex is also required for disassembly and recycling of post-termination ribosomal complexes and subsequently prevents premature joining of the 40S and 60S ribosomal subunits prior to initiation. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation, including cell cycling, differentiation and apoptosis, and uses different modes of RNA stem-loop binding to exert either translational activation or repression.

AlphaFold DB (A0A3B3VG57), UniProt , Accession A0A087YK92, Species POEFO (Poecilia formosa, Amazon molly), Gene EIF3H, Length 341 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low30Very low245 Ų245149.2 Ų149.2100%1.20787%0.866SS**  0128.40-89178.4163.800108.1
2A34.7Very low29.7Very low95 Ų95146.8 Ų146.879%0.78586%0.864SS**  trans61.2103168.100000116.9
3S30.8Very low29.6Very low123 Ų123145.6 Ų145.686%0.8686%0.86SS**  78130.658.9-65.20000115.3
4R30.5Very low29.6Very low238 Ų238143.6 Ų143.690%0.89885%0.853SS**  trans106.9102.8149.2-141.1170.7-171.3175.11.5114.1
5K31.9Very low29.5Very low189 Ų189147.2 Ų147.282%0.82286%0.861SS**  cis92.5111.149.3-161.8-170.6-157.4-170.60111.5
6E28.3Very low29.4Very low187 Ų187143.6 Ų143.687%0.87485%0.854SS**  trans172.4101.8150.6-97.8169.3-16100105.7
7S27.6Very low29.2Very low111 Ų111142.1 Ų142.178%0.77685%0.852SS**  69.481.658.379.10000115.7
8S26.5Very low29.2Very low124 Ų124141.9 Ų141.987%0.86785%0.852SS**  trans-147.293.4152.364.70000109.8
9S28.5Very low29Very low115 Ų115137.9 Ų137.980%0.80484%0.843SS**  trans-121.8115.8171.856.60000109.4
10A29.1Very low28.8Very low108 Ų108134.8 Ų134.889%0.89384%0.839SS**  trans-55.4135167.100000110.8
11S27.9Very low28.7Very low106 Ų106134.1 Ų134.174%0.74184%0.835SS**  trans-135.6106.2166.759.40000109.3T13S11-T13 PolarHBondContact O-N 3.21Å
12S26.1Very low28.7Very low121 Ų121131.2 Ų131.285%0.84682%0.823SS**  trans-61.4115.9164.748.70000110.6
13T29.1Very low28.8Very low131 Ų131132.6 Ų132.680%0.80482%0.817SS**  trans-85.3137.4169.67.60000110.3S11S11-T13 PolarHBondContact O-N 3.21Å
14P29.4Very low29.4Very low118 Ų118130.6 Ų130.677%0.76680%0.803SS**  trans-77.8134.9174.230.3-28.3000110.2A16P14-A16 PolarHBondContact O-N 3.1Å
15M27.2Very low30.9Very low197 Ų197122.3 Ų122.397%0.9778%0.78SS**  trans-66110.8169.9-80.8179.7130.700109.4
16A27.8Very low32.5Very low90 Ų90113.7 Ų113.774%0.74474%0.744SS**  trans-80.4117.9165.600000108.9P14 T18P14-A16 PolarHBondContact O-N 3.1Å; A16-T18 PolarHBondContact O-N 3.28Å
17S27.2Very low34.8Very low118 Ų118110.2 Ų110.283%0.82573%0.726SS**  trans-60.6108.2167.650.60000110.1G19S17-G19 PolarHBondContact O-N 3.25Å
18T27.9Very low37.4Very low139 Ų139107.1 Ų107.185%0.85370%0.699SS**  trans-71.991.6167.845.70000109.1A16 G20A16-T18 PolarHBondContact O-N 3.28Å; T18-G20 PolarHBondContact O-N 3.07Å
19G25.5Very low40.4Very low66 Ų66101.2 Ų101.268%0.6866%0.657SS**  trans-66.3113.1153.800000107.9S17 T21S17-G19 PolarHBondContact O-N 3.25Å; G19-T21 PolarHBondContact O-N 3.21Å; G19-T21 VanDerWaalsContact O-N 3.15Å
20G25.2Very low43.3Very low75 Ų7596.3 Ų96.377%0.77362%0.622SS**  trans-70103.8171.700000109.3T18 L22T18-G20 PolarHBondContact O-N 3.07Å; G20-L22 PolarHBondContact O-N 3.49Å
21T27.4Very low46.2Very low121 Ų12191.2 Ų91.274%0.74258%0.58SS**  trans-69.3110160.146.20000107.5G19 D23G19-T21 PolarHBondContact O-N 3.21Å; G19-T21 VanDerWaalsContact O-N 3.15Å; T21-D23 PolarHBondContact O-N 3.33Å
22L34.4Very low49.2Very low183 Ų18388.8 Ų88.896%0.95856%0.557SS**  trans-66.169.4166.9-82.4147.2000109.5G20G20-L22 PolarHBondContact O-N 3.49Å
23D36Very low52Low124 Ų12483.7 Ų83.766%0.66352%0.523SS*.  trans-139.630.8-173.8-141.210.8000110.9T21 P25T21-D23 PolarHBondContact O-N 3.33Å; D23-P25 WeakPolarHBondContact O-CD 3.42Å
24S44.3Very low54.8Low81 Ų8181.1 Ų81.157%0.56650%0.504SS*.  trans-93.2111.6168.8-81.50000109
25P61Low57.7Low64 Ų6475.5 Ų75.542%0.41647%0.468SS..  trans-62.4138.5171.225.6-32.3000109.3D23 K27D23-P25 WeakPolarHBondContact O-CD 3.42Å; P25-K27 WeakPolarHBondContact O-CG 3.35Å; P25-K27 PolarHBondContact O-N 2.95Å
26V65.4Low60.6Low9 Ų966.7 Ų66.76%0.05543%0.425CS..  trans-43.6112.1169.81770000109.9Q28 V61 L66 E136V26-Q28 WeakPolarHBondContact CG1-O 3.41Å; V26-V61 HydrophobicContact CG2-CG1 4.31Å; V26-L66 HydrophobicContact CG1-CB 3.59Å; V26-L66 HydrophobicContact CG2-CB 4.45Å; V26-E136 HydrophobicContact CG2-CB 4.27Å; V26-E136 HydrophobicContact CG2-CG 4.12Å
27K76.4Confident63.5Low114 Ų11468 Ų6850%0.49642%0.419SS..  trans-86.4-19-178.9-67.6-168.2-161.980.90113.5P25 D64 P192P25-K27 WeakPolarHBondContact O-CG 3.35Å; P25-K27 PolarHBondContact O-N 2.95Å; K27-D64 VanDerWaalsContact CD-OD2 3.26Å; K27-D64 WeakPolarHBondContact CD-OD2 3.41Å; K27-D64 WeakPolarHBondContact CG-OD1 3.27Å; K27-D64 WeakPolarHBondContact CG-OD2 3.42Å; K27-D64 PolarHBondContact N-O 2.93Å; K27-D64 VanDerWaalsContact N-O 3.12Å; K27-D64 IonicContact NZ-OD1 3.12Å; K27-D64 PolarHBondContact NZ-OD1 3.37Å; K27-D64 IonicContact NZ-OD2 3.69Å; K27-D64 PolarHBondContact NZ-OD2 3.38Å; K27-P192 WeakPolarHBondContact O-CD 3.5Å; K27-P192 WeakPolarHBondContact O-CG 3.43Å
28Q83.4Confident66.5Low45 Ų4566 Ų6621%0.2140%0.395CS..EExtended strand (participates in β ladder)trans-149.5140.1-174-177.8168.557.700111.5V26 R65 L66 V194V26-Q28 WeakPolarHBondContact CG1-O 3.41Å; Q28-R65 HydrophobicContact CB-CG 4.42Å; Q28-R65 VanDerWaalsContact O-CA 3.29Å; Q28-R65 WeakPolarHBondContact O-CA 3.47Å; Q28-L66 PolarHBondContact O-N 3.45Å; Q28-V194 HydrophobicContact CG-CG2 4.28Å
29I88.4Confident69.4Low0 Ų059.6 Ų59.60%036%0.356CS..EExtended strand (participates in β ladder)trans-105.7125.1174.3-60.4152.6000108.3I31 L66 I68 V138 A156 V191 P192 I193 V194I29-I31 HydrophobicContact CG2-CD1 4.14Å; I29-I31 HydrophobicContact CG2-CG1 3.7Å; I29-L66 CarbonylContact C-O 3.56Å; I29-L66 WeakPolarHBondContact CA-O 3.32Å; I29-L66 HydrophobicContact CG1-CB 4.3Å; I29-L66 HydrophobicContact CG1-CD2 4.39Å; I29-I68 HydrophobicContact CG2-CD1 3.57Å; I29-I68 HydrophobicContact CG2-CG1 4.02Å; I29-V138 HydrophobicContact CD1-CB 4.44Å; I29-V138 HydrophobicContact CD1-CG1 3.61Å; I29-V138 HydrophobicContact CD1-CG2 4.1Å; I29-V138 HydrophobicContact CG1-CG2 4.48Å; I29-A156 HydrophobicContact CD1-CB 3.29Å; I29-V191 HydrophobicContact CD1-CB 3.65Å; I29-V191 HydrophobicContact CD1-CG1 3.6Å; I29-V191 HydrophobicContact CG1-CB 4.35Å; I29-V191 HydrophobicContact CG1-CG1 3.73Å; I29-P192 PolarHBondContact N-O 3.42Å; I29-P192 VanDerWaalsContact N-O 3.09Å; I29-I193 CarbonylContact O-C 3.44Å; I29-I193 WeakPolarHBondContact O-CA 3.39Å; I29-V194 PolarHBondContact O-N 3.18Å
30Q90Very high72.3Confident12 Ų1259.3 Ų59.36%0.05634%0.338CS..EExtended strand (participates in β ladder)trans-99.7124.2170.1-71.2-178.284.100108.8L66 E67 I68 V194Q30-L66 PolarHBondContact N-O 3.5Å; Q30-E67 HydrophobicContact CB-CG 4.2Å; Q30-E67 PolarHBondContact NE2-OE1 3.48Å; Q30-E67 WeakPolarHBondContact O-CA 3.39Å; Q30-E67 PolarHBondContact OE1-OE1 2.85Å; Q30-I68 PolarHBondContact O-N 3.46Å; Q30-V194 CarbonylContact C-O 3.58Å; Q30-V194 VanDerWaalsContact CA-O 3.27Å; Q30-V194 WeakPolarHBondContact CA-O 3.22Å
31I90.9Very high75.3Confident2 Ų261.5 Ų61.51%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-116.9131.3-179.7-53-176.1000108.8I29 V35 V36 I68 L140 L154 I193 V194 I195 K196I29-I31 HydrophobicContact CG2-CD1 4.14Å; I29-I31 HydrophobicContact CG2-CG1 3.7Å; I31-V35 HydrophobicContact CG2-CB 3.82Å; I31-V35 HydrophobicContact CG2-CG1 4Å; I31-V35 HydrophobicContact CG2-CG2 4.46Å; I31-V36 HydrophobicContact CG2-CG2 3.91Å; I31-I68 HydrophobicContact CD1-CD1 4.48Å; I31-I68 HydrophobicContact CG1-CD1 4.22Å; I31-L140 HydrophobicContact CD1-CD1 3.8Å; I31-L140 HydrophobicContact CD1-CD2 3.89Å; I31-L154 HydrophobicContact CD1-CD2 3.4Å; I31-L154 VanDerWaalsContact CD1-CD2 3.4Å; I31-I193 HydrophobicContact CD1-CG1 4.33Å; I31-I193 HydrophobicContact CD1-CG2 3.5Å; I31-I193 VanDerWaalsContact CD1-CG2 3.5Å; I31-I193 HydrophobicContact CG1-CG2 3.92Å; I31-V194 PolarHBondContact N-O 3.05Å; I31-I195 WeakPolarHBondContact O-CA 3.39Å; I31-K196 PolarHBondContact O-N 3.27Å
32E89.4Confident78.1Confident54 Ų5456.1 Ų56.125%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-74.7139.2170.3-170167.5-168.900110.9L34 V35 I68 K196 I201E32-L34 HydrophobicContact CG-CB 4.26Å; E32-L34 PolarHBondContact O-N 3.48Å; E32-V35 WeakPolarHBondContact O-CB 3.28Å; E32-V35 PolarHBondContact O-N 2.96Å; E32-I68 PolarHBondContact N-O 3.11Å; E32-I68 VanDerWaalsContact N-O 3.07Å; E32-K196 WeakPolarHBondContact CA-O 3.31Å; E32-I201 HydrophobicContact CG-CD1 4.45Å; E32-I201 WeakPolarHBondContact OE1-CD1 3.35Å
33G85.4Confident80.4Confident14 Ų1449.7 Ų49.714%0.14426%0.256CS..Hα-helixtrans-56.1-25.6-179.100000114.2V35 V36 L37 N197G33-V35 VanDerWaalsContact C-N 3.33Å; G33-V35 PolarHBondContact O-N 2.8Å; G33-V36 PolarHBondContact O-N 2.89Å; G33-L37 PolarHBondContact O-N 2.66Å; G33-L37 VanDerWaalsContact O-N 3.1Å; G33-N197 WeakPolarHBondContact CA-OD1 3.06Å; G33-N197 PolarHBondContact N-OD1 2.71Å
34L88.8Confident82.6Confident77 Ų7749.9 Ų49.940%0.40325%0.253SS..Hα-helixtrans-59.7-41.2174.3-179.264.5000112.6E32 L37 K38E32-L34 HydrophobicContact CG-CB 4.26Å; E32-L34 PolarHBondContact O-N 3.48Å; L34-L37 PolarHBondContact O-N 3Å; L34-K38 HydrophobicContact CG-CD 4.41Å; L34-K38 WeakPolarHBondContact O-CG 3.26Å; L34-K38 PolarHBondContact O-N 3.31Å
35V89.6Confident84.3Confident0 Ų051.8 Ų51.80%025%0.253CS..Hα-helixtrans-63.2-46.3-179.8175.10000109.9I31 E32 G33 L37 K38 I39 L57 I68 T69 C71I31-V35 HydrophobicContact CG2-CB 3.82Å; I31-V35 HydrophobicContact CG2-CG1 4Å; I31-V35 HydrophobicContact CG2-CG2 4.46Å; E32-V35 WeakPolarHBondContact O-CB 3.28Å; E32-V35 PolarHBondContact O-N 2.96Å; G33-V35 VanDerWaalsContact C-N 3.33Å; G33-V35 PolarHBondContact O-N 2.8Å; V35-L37 PolarHBondContact O-N 3.46Å; V35-K38 PolarHBondContact O-N 2.9Å; V35-I39 HydrophobicContact CG1-CD1 3.93Å; V35-I39 VanDerWaalsContact O-CG1 3.32Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 3.46Å; V35-L57 HydrophobicContact CG1-CD2 4.16Å; V35-I68 HydrophobicContact CG1-CG2 4.13Å; V35-I68 HydrophobicContact CG2-CG2 4.05Å; V35-T69 WeakPolarHBondContact CG2-O 3.42Å; V35-C71 HydrophobicContact CG1-CB 4.02Å
36V89Confident84.9Confident13 Ų1351.8 Ų51.88%0.07925%0.247CC..Hα-helixtrans-60.8-46.1178.8-177.20000110.7I31 G33 K38 I39 I40 L152I31-V36 HydrophobicContact CG2-CG2 3.91Å; G33-V36 PolarHBondContact O-N 2.89Å; V36-K38 VanDerWaalsContact C-N 3.32Å; V36-K38 PolarHBondContact O-N 3.35Å; V36-I39 PolarHBondContact O-N 3Å; V36-I40 HydrophobicContact CG1-CD1 3.89Å; V36-I40 VanDerWaalsContact O-CG1 3.27Å; V36-I40 WeakPolarHBondContact O-CG1 3.38Å; V36-I40 PolarHBondContact O-N 2.89Å; V36-L152 HydrophobicContact CG1-CD1 4.28Å; V36-L152 HydrophobicContact CG1-CD2 4.2Å
37L87.9Confident84.8Confident117 Ų11751.5 Ų51.561%0.61325%0.246SC*.Hα-helixtrans-60.9-40177-77.8162.8000112.5G33 L34 V35 I40 K41G33-L37 PolarHBondContact O-N 2.66Å; G33-L37 VanDerWaalsContact O-N 3.1Å; L34-L37 PolarHBondContact O-N 3Å; V35-L37 PolarHBondContact O-N 3.46Å; L37-I40 PolarHBondContact O-N 3.45Å; L37-K41 VanDerWaalsContact O-CB 3.29Å; L37-K41 WeakPolarHBondContact O-CB 3.33Å; L37-K41 PolarHBondContact O-N 3.04Å
38K89.8Confident84Confident75 Ų7554.3 Ų54.333%0.32626%0.261SS..Hα-helixtrans-64.9-42.2176.2-77.6-178.6174.5-167.80112.3L34 V35 V36 K41 H42 N70 C71L34-K38 HydrophobicContact CG-CD 4.41Å; L34-K38 WeakPolarHBondContact O-CG 3.26Å; L34-K38 PolarHBondContact O-N 3.31Å; V35-K38 PolarHBondContact O-N 2.9Å; V36-K38 VanDerWaalsContact C-N 3.32Å; V36-K38 PolarHBondContact O-N 3.35Å; K38-K41 PolarHBondContact O-N 2.78Å; K38-H42 VanDerWaalsContact O-CB 3.28Å; K38-H42 WeakPolarHBondContact O-CB 3.38Å; K38-H42 PolarHBondContact O-N 3.37Å; K38-N70 PolarHBondContact NZ-OD1 3.36Å; K38-C71 VanDerWaalsContact CB-SG 3.56Å
39I89.1Confident82.7Confident5 Ų554.1 Ų54.13%0.02627%0.272CS..Hα-helixtrans-62.7-44.6176.7-66.1168.6000110.4V35 V36 H42 Y43 Y110 Y142V35-I39 HydrophobicContact CG1-CD1 3.93Å; V35-I39 VanDerWaalsContact O-CG1 3.32Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 3.46Å; V36-I39 PolarHBondContact O-N 3Å; I39-H42 PolarHBondContact O-N 3.31Å; I39-Y43 PolarHBondContact O-N 2.89Å; I39-Y110 HydrophobicContact CB-CD2 4.48Å; I39-Y110 HydrophobicContact CB-CE2 4.38Å; I39-Y110 HydrophobicContact CD1-CD1 4.32Å; I39-Y110 HydrophobicContact CD1-CD2 4.21Å; I39-Y110 HydrophobicContact CD1-CG 3.99Å; I39-Y110 HydrophobicContact CG1-CD1 4.19Å; I39-Y110 HydrophobicContact CG1-CD2 3.85Å; I39-Y110 HydrophobicContact CG1-CE1 4.22Å; I39-Y110 HydrophobicContact CG1-CE2 3.88Å; I39-Y110 HydrophobicContact CG1-CG 4Å; I39-Y110 HydrophobicContact CG2-CD2 3.97Å; I39-Y110 HydrophobicContact CG2-CE2 4.11Å; I39-Y142 HydrophobicContact CG2-CD1 3.71Å; I39-Y142 HydrophobicContact CG2-CD2 4.47Å; I39-Y142 HydrophobicContact CG2-CE1 4.4Å; I39-Y142 HydrophobicContact CG2-CG 3.75Å
40I87.3Confident81.3Confident60 Ų6058.7 Ų58.731%0.30830%0.304SS..Hα-helixtrans-62.8-46.4177.1-64165.3000110.6V36 L37 H42 Y43 Q44 Y142V36-I40 HydrophobicContact CG1-CD1 3.89Å; V36-I40 VanDerWaalsContact O-CG1 3.27Å; V36-I40 WeakPolarHBondContact O-CG1 3.38Å; V36-I40 PolarHBondContact O-N 2.89Å; L37-I40 PolarHBondContact O-N 3.45Å; I40-H42 VanDerWaalsContact C-N 3.33Å; I40-H42 PolarHBondContact O-N 2.85Å; I40-Y43 PolarHBondContact O-N 2.94Å; I40-Q44 PolarHBondContact O-N 2.82Å; I40-Y142 HydrophobicContact CG1-CE2 4.2Å
41K87.8Confident80.3Confident121 Ų12163.8 Ų63.853%0.52633%0.327SS..Hα-helixtrans-59.1-45.8177.9-177.2-176.5172.4-170.50111.2L37 K38 Y43 Q44 E45L37-K41 VanDerWaalsContact O-CB 3.29Å; L37-K41 WeakPolarHBondContact O-CB 3.33Å; L37-K41 PolarHBondContact O-N 3.04Å; K38-K41 PolarHBondContact O-N 2.78Å; K41-Y43 VanDerWaalsContact C-N 3.33Å; K41-Y43 PolarHBondContact O-N 2.97Å; K41-Q44 WeakPolarHBondContact O-CB 3.36Å; K41-Q44 PolarHBondContact O-N 3.13Å; K41-E45 WeakPolarHBondContact CE-OE1 3.27Å; K41-E45 VanDerWaalsContact CE-OE2 3.32Å; K41-E45 WeakPolarHBondContact CE-OE2 3.39Å; K41-E45 HydrophobicContact CG-CG 4.43Å; K41-E45 IonicContact NZ-OE1 3.57Å; K41-E45 PolarHBondContact NZ-OE1 3.4Å; K41-E45 IonicContact NZ-OE2 3.75Å; K41-E45 PolarHBondContact O-N 2.98Å
42H85.9Confident79.7Confident8 Ų866.9 Ų66.94%0.03735%0.346CS..Hα-helixtrans-59.2-44.8178.6-176.9-163.4000111.5K38 I39 I40 Q44 E45 E46 V53 Q54 P73 Y110K38-H42 VanDerWaalsContact O-CB 3.28Å; K38-H42 WeakPolarHBondContact O-CB 3.38Å; K38-H42 PolarHBondContact O-N 3.37Å; I39-H42 PolarHBondContact O-N 3.31Å; I40-H42 VanDerWaalsContact C-N 3.33Å; I40-H42 PolarHBondContact O-N 2.85Å; H42-Q44 VanDerWaalsContact C-N 3.31Å; H42-Q44 PolarHBondContact O-N 3.36Å; H42-E45 PolarHBondContact O-N 2.93Å; H42-E46 IonicContact CD2-OE1 2.71Å; H42-E46 IonicContact CD2-OE2 2.72Å; H42-E46 VanDerWaalsContact NE2-CD 3.33Å; H42-E46 IonicContact NE2-OE1 2.98Å; H42-E46 IonicContact NE2-OE2 2.99Å; H42-E46 PolarHBondContact NE2-OE2 3.39Å; H42-E46 VanDerWaalsContact NE2-OE2 3.12Å; H42-E46 PolarHBondContact O-N 3.48Å; H42-V53 WeakPolarHBondContact CE1-CG1 3.38Å; H42-V53 VanDerWaalsContact CG-CG1 3.48Å; H42-V53 WeakPolarHBondContact ND1-CG1 3.33Å; H42-V53 WeakPolarHBondContact NE2-CG1 3.47Å; H42-Q54 PolarHBondContact CE1-O 2.88Å; H42-P73 WeakPolarHBondContact CE1-CB 3.43Å; H42-P73 VanDerWaalsContact ND1-CB 3.29Å; H42-P73 WeakPolarHBondContact ND1-CB 3.33Å; H42-P73 VanDerWaalsContact NE2-CB 3.29Å; H42-P73 WeakPolarHBondContact NE2-CB 3.24Å; H42-Y110 AromaticContact ND1-CE2 3.78Å; H42-Y110 AromaticContact ND1-CZ 3.72Å; H42-Y110 PolarHBondContact ND1-OH 2.83Å
43Y82.7Confident79.3Confident48 Ų4864.5 Ų64.519%0.18834%0.335CS..Hα-helixtrans-63.4-35.7174-178.4-100000112.9I39 I40 K41 G47 V53 Y142 P144I39-Y43 PolarHBondContact O-N 2.89Å; I40-Y43 PolarHBondContact O-N 2.94Å; K41-Y43 VanDerWaalsContact C-N 3.33Å; K41-Y43 PolarHBondContact O-N 2.97Å; Y43-G47 WeakPolarHBondContact CE2-O 3.39Å; Y43-G47 CarbonylContact O-C 3.59Å; Y43-G47 WeakPolarHBondContact O-CA 3.47Å; Y43-G47 PolarHBondContact O-N 2.84Å; Y43-V53 HydrophobicContact CD2-CG2 4.36Å; Y43-Y142 HydrophobicContact CG-CE1 4.31Å; Y43-P144 HydrophobicContact CD1-CB 3.43Å; Y43-P144 VanDerWaalsContact CD1-CB 3.43Å; Y43-P144 HydrophobicContact CD1-CG 4Å; Y43-P144 HydrophobicContact CD2-CB 4.25Å; Y43-P144 HydrophobicContact CD2-CG 3.95Å; Y43-P144 HydrophobicContact CE1-CB 3.17Å; Y43-P144 HydrophobicContact CE1-CG 3.53Å; Y43-P144 HydrophobicContact CE2-CB 4.07Å; Y43-P144 HydrophobicContact CE2-CG 3.5Å; Y43-P144 VanDerWaalsContact CE2-CG 3.5Å; Y43-P144 HydrophobicContact CG-CB 3.96Å; Y43-P144 HydrophobicContact CG-CG 4.18Å
44Q81.3Confident79.3Confident128 Ų12866.9 Ų66.960%0.59834%0.342SS*.Hα-helixtrans-70.2-34.6178.8-17064.723.500113I40 K41 H42I40-Q44 PolarHBondContact O-N 2.82Å; K41-Q44 WeakPolarHBondContact O-CB 3.36Å; K41-Q44 PolarHBondContact O-N 3.13Å; H42-Q44 VanDerWaalsContact C-N 3.31Å; H42-Q44 PolarHBondContact O-N 3.36Å
45E81.4Confident79.3Confident122 Ų12263.2 Ų63.257%0.5732%0.324SS*.Hα-helixtrans-81.9-45.9-178.9-70.8179.9160.800112.1K41 H42K41-E45 WeakPolarHBondContact CE-OE1 3.27Å; K41-E45 VanDerWaalsContact CE-OE2 3.32Å; K41-E45 WeakPolarHBondContact CE-OE2 3.39Å; K41-E45 HydrophobicContact CG-CG 4.43Å; K41-E45 IonicContact NZ-OE1 3.57Å; K41-E45 PolarHBondContact NZ-OE1 3.4Å; K41-E45 IonicContact NZ-OE2 3.75Å; K41-E45 PolarHBondContact O-N 2.98Å; H42-E45 PolarHBondContact O-N 2.93Å
46E73.2Confident79.3Confident64 Ų6463.2 Ų63.230%0.29932%0.324SS..Hα-helixtrans-108.7-17.5-173.5-62.1-169.9-166.800113.9H42 Q48 Q76H42-E46 IonicContact CD2-OE1 2.71Å; H42-E46 IonicContact CD2-OE2 2.72Å; H42-E46 VanDerWaalsContact NE2-CD 3.33Å; H42-E46 IonicContact NE2-OE1 2.98Å; H42-E46 IonicContact NE2-OE2 2.99Å; H42-E46 PolarHBondContact NE2-OE2 3.39Å; H42-E46 VanDerWaalsContact NE2-OE2 3.12Å; H42-E46 PolarHBondContact O-N 3.48Å; E46-Q48 VanDerWaalsContact C-N 3.35Å; E46-Q48 PolarHBondContact O-N 2.91Å; E46-Q76 PolarHBondContact O-NE2 3.32Å; E46-Q76 VanDerWaalsContact O-NE2 3.1Å
47G62.2Low79.4Confident3 Ų362.7 Ų62.73%0.03132%0.32CS..  trans-90.521.1-173.700000115.3Y43 G49Y43-G47 WeakPolarHBondContact CE2-O 3.39Å; Y43-G47 CarbonylContact O-C 3.59Å; Y43-G47 WeakPolarHBondContact O-CA 3.47Å; Y43-G47 PolarHBondContact O-N 2.84Å; G47-G49 PolarHBondContact O-N 3.36Å
48Q60Low79.5Confident172 Ų17257.1 Ų57.180%0.80429%0.291SS*.SBendtrans-69.3-5.9177.3-70.1-176.38.500113.5E46E46-Q48 VanDerWaalsContact C-N 3.35Å; E46-Q48 PolarHBondContact O-N 2.91Å
49G56.1Low79.4Confident42 Ų4253.5 Ų53.543%0.43328%0.276SS..SBendtrans-106.2-175.7174.100000114.5G47 E51G47-G49 PolarHBondContact O-N 3.36Å; G49-E51 PolarHBondContact O-N 3.4Å
50S60.5Low79.3Confident96 Ų9656.7 Ų56.767%0.67129%0.292SS*.SBendtrans-76.311.5169-171.80000112.6
51E68.2Low79.2Confident119 Ų11955.8 Ų55.856%0.55629%0.289SS*.PPolyproline II helixtrans-88.4145.2-171.5-68.8-174.5-175.400111.7G49 Q76G49-E51 PolarHBondContact O-N 3.4Å; E51-Q76 PolarHBondContact OE2-OE1 3.32Å; E51-Q76 VanDerWaalsContact OE2-OE1 3.13Å
52V77.4Confident78.9Confident67 Ų6752.6 Ų52.641%0.40628%0.28SS..PPolyproline II helixtrans-88.4124.2-176.4174.70000108.6Q111 S112V52-Q111 HydrophobicContact CG1-CG 3.21Å; V52-S112 WeakPolarHBondContact CG1-O 3.48Å
53V81.6Confident78.7Confident3 Ų359.9 Ų59.92%0.01832%0.319CS..PPolyproline II helixtrans-93.1130.9-178.8178.90000108H42 Y43 Q111 S112H42-V53 WeakPolarHBondContact CE1-CG1 3.38Å; H42-V53 VanDerWaalsContact CG-CG1 3.48Å; H42-V53 WeakPolarHBondContact ND1-CG1 3.33Å; H42-V53 WeakPolarHBondContact NE2-CG1 3.47Å; Y43-V53 HydrophobicContact CD2-CG2 4.36Å; V53-Q111 CarbonylContact O-C 3.45Å; V53-Q111 WeakPolarHBondContact O-CA 3.43Å; V53-S112 WeakPolarHBondContact CB-OG 3.43Å; V53-S112 PolarHBondContact N-OG 3.43Å; V53-S112 PolarHBondContact O-N 3.43Å
54Q86.1Confident78.6Confident64 Ų6459.9 Ų59.930%0.29932%0.322SS..EExtended strand (participates in β ladder)trans-130.2155.1-176.459.1-178.6-4.100111.6H42 F74 Y110H42-Q54 PolarHBondContact CE1-O 2.88Å; Q54-F74 HydrophobicContact CG-CB 4.2Å; Q54-F74 HydrophobicContact CG-CD2 4.47Å; Q54-F74 PolarHBondContact O-N 3.47Å; Q54-Y110 WeakPolarHBondContact CA-O 3.35Å
55G88.3Confident78.7Confident1 Ų159.3 Ų59.31%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-170.3171.2174.900000112F72 W109 Y110G55-F72 CarbonylContact C-O 3.46Å; G55-F72 WeakPolarHBondContact CA-O 3.47Å; G55-W109 CarbonylContact O-C 3.56Å; G55-W109 VanDerWaalsContact O-CA 3.22Å; G55-W109 WeakPolarHBondContact O-CA 3.43Å; G55-W109 VanDerWaalsContact O-CB 3.23Å; G55-W109 WeakPolarHBondContact O-CB 3.08Å; G55-Y110 VanDerWaalsContact C-CE1 3.45Å; G55-Y110 VanDerWaalsContact CA-CE1 3.41Å; G55-Y110 PolarHBondContact N-O 3.42Å; G55-Y110 VanDerWaalsContact O-CD1 3.31Å; G55-Y110 WeakPolarHBondContact O-CD1 3.32Å; G55-Y110 PolarHBondContact O-N 2.99Å
56V89.7Confident79Confident0 Ų053.5 Ų53.50%029%0.288CS..EExtended strand (participates in β ladder)trans-96.6153.3-178.2-56.60000112.3L58 C71 F72 F74V56-L58 HydrophobicContact CG2-CD2 4.48Å; V56-C71 VanDerWaalsContact O-CA 3.27Å; V56-C71 WeakPolarHBondContact O-CA 3.33Å; V56-C71 VanDerWaalsContact O-CB 3.26Å; V56-C71 WeakPolarHBondContact O-CB 3.35Å; V56-F72 HydrophobicContact CG2-CD1 3.52Å; V56-F72 HydrophobicContact CG2-CD2 3.72Å; V56-F72 HydrophobicContact CG2-CE1 3.19Å; V56-F72 HydrophobicContact CG2-CE2 3.39Å; V56-F72 HydrophobicContact CG2-CG 3.8Å; V56-F72 HydrophobicContact CG2-CZ 3.14Å; V56-F72 PolarHBondContact N-O 3.15Å; V56-F72 PolarHBondContact O-N 2.87Å; V56-F74 HydrophobicContact CG1-CD2 4.23Å; V56-F74 HydrophobicContact CG1-CE2 3.29Å; V56-F74 HydrophobicContact CG1-CZ 3.49Å; V56-F74 VanDerWaalsContact CG1-CZ 3.49Å
57L90.8Very high79.8Confident1 Ų153 Ų531%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-108135.3176.1-58.9168.8000109.2V35 I68 C71 V107 G108 W109 Y110 L140V35-L57 HydrophobicContact CG1-CD2 4.16Å; L57-I68 HydrophobicContact CB-CG2 4.18Å; L57-I68 HydrophobicContact CD1-CD1 4.17Å; L57-I68 HydrophobicContact CD2-CG2 4.16Å; L57-C71 HydrophobicContact CD2-CB 3.86Å; L57-V107 HydrophobicContact CB-CG2 4.1Å; L57-V107 WeakPolarHBondContact O-CG2 3.04Å; L57-V107 PolarHBondContact O-N 3.15Å; L57-G108 WeakPolarHBondContact CB-O 3.46Å; L57-G108 PolarHBondContact N-O 3.41Å; L57-W109 WeakPolarHBondContact CD1-O 3.4Å; L57-Y110 HydrophobicContact CD2-CD1 3.7Å; L57-Y110 HydrophobicContact CD2-CG 4.36Å; L57-Y110 HydrophobicContact CG-CD1 4.2Å; L57-L140 HydrophobicContact CD1-CB 3.99Å; L57-L140 HydrophobicContact CD1-CD1 3.42Å; L57-L140 VanDerWaalsContact CD1-CD1 3.42Å; L57-L140 HydrophobicContact CD1-CG 3.54Å; L57-L140 HydrophobicContact CD2-CD1 3.8Å; L57-L140 HydrophobicContact CG-CD1 4.26Å
58L89.5Confident81.1Confident0 Ų053 Ų530%028%0.284CS..EExtended strand (participates in β ladder)trans-118.2138.1179.7-54.3173000109.5V56 I68 T69 N70 F72 M94 L97 L105V56-L58 HydrophobicContact CG2-CD2 4.48Å; L58-I68 WeakPolarHBondContact O-CG2 3.49Å; L58-T69 PolarHBondContact O-N 2.81Å; L58-N70 WeakPolarHBondContact CA-O 3.3Å; L58-N70 HydrophobicContact CB-CB 4.31Å; L58-N70 WeakPolarHBondContact CB-O 3.39Å; L58-N70 HydrophobicContact CD1-CB 4.36Å; L58-N70 PolarHBondContact N-O 3.21Å; L58-N70 PolarHBondContact O-N 3.2Å; L58-N70 VanDerWaalsContact O-O 3.08Å; L58-F72 HydrophobicContact CD1-CD1 3.78Å; L58-F72 HydrophobicContact CD1-CE1 3.92Å; L58-F72 HydrophobicContact CD2-CE1 4.14Å; L58-F72 HydrophobicContact CG-CD1 4.35Å; L58-F72 HydrophobicContact CG-CE1 4.32Å; L58-M94 HydrophobicContact CD2-CE 3.34Å; L58-M94 HydrophobicContact CD2-SD 3.71Å; L58-L97 HydrophobicContact CD1-CD1 3.45Å; L58-L97 VanDerWaalsContact CD1-CD1 3.45Å; L58-L97 HydrophobicContact CD1-CD2 4.15Å; L58-L97 HydrophobicContact CD1-CG 4.4Å; L58-L105 VanDerWaalsContact CA-O 3.24Å; L58-L105 WeakPolarHBondContact CA-O 3.3Å
59G88.1Confident82.4Confident0 Ų046.3 Ų46.30%026%0.256CS..EExtended strand (participates in β ladder)trans-179-178-174.600000113.5E67 L105 V107G59-E67 CarbonylContact C-O 3.5Å; G59-E67 WeakPolarHBondContact CA-O 3.28Å; G59-L105 PolarHBondContact N-O 3.45Å; G59-L105 WeakPolarHBondContact O-CB 3.4Å; G59-V107 VanDerWaalsContact O-CG1 3.28Å; G59-V107 WeakPolarHBondContact O-CG1 3.39Å
60L87.6Confident84Confident72 Ų7244.8 Ų44.838%0.37724%0.237SC..EExtended strand (participates in β ladder)trans-127.9143.8178-172.582.8000108.5V62 E67 L105L60-V62 HydrophobicContact CD2-CG2 3.61Å; L60-V62 HydrophobicContact CG-CG2 4.21Å; L60-E67 PolarHBondContact N-O 3.21Å; L60-E67 PolarHBondContact O-N 3.02Å; L60-L105 HydrophobicContact CD1-CD1 3.54Å
61V84.6Confident85.4Confident41 Ų4140.3 Ų40.325%0.24821%0.206CC..EExtended strand (participates in β ladder)trans-88.9123168.3-170.70000108.6V26 L66 E136V26-V61 HydrophobicContact CG2-CG1 4.31Å; V61-L66 HydrophobicContact CG2-CD1 3.53Å; V61-E136 WeakPolarHBondContact CG1-OE1 3.21Å; V61-E136 HydrophobicContact CG2-CB 4.23Å; V61-E136 VanDerWaalsContact CG2-CD 3.49Å; V61-E136 HydrophobicContact CG2-CG 4.43Å; V61-E136 WeakPolarHBondContact CG2-OE2 3.45Å
62V82.5Confident86.3Confident54 Ų5435.2 Ų35.233%0.32718%0.182SC..EExtended strand (participates in β ladder)trans-121.3110.1176.1-175.70000107.9L60 D64 R65 E67L60-V62 HydrophobicContact CD2-CG2 3.61Å; L60-V62 HydrophobicContact CG-CG2 4.21Å; V62-D64 PolarHBondContact O-N 3.27Å; V62-R65 PolarHBondContact N-O 2.87Å; V62-R65 PolarHBondContact O-N 2.85Å; V62-R65 VanDerWaalsContact O-O 3.13Å; V62-E67 HydrophobicContact CG2-CG 4.46Å
63D80.3Confident86.7Confident161 Ų16134.3 Ų34.386%0.86118%0.177SC*.THydrogen-bonded Turntrans54.6-100.6-177.5-57.6-41.8000113.3
64D80.8Confident86.8Confident48 Ų4834.7 Ų34.726%0.25718%0.179SC..THydrogen-bonded Turntrans-111.910.4-175.3-160.934.5000111.6K27 V62K27-D64 VanDerWaalsContact CD-OD2 3.26Å; K27-D64 WeakPolarHBondContact CD-OD2 3.41Å; K27-D64 WeakPolarHBondContact CG-OD1 3.27Å; K27-D64 WeakPolarHBondContact CG-OD2 3.42Å; K27-D64 PolarHBondContact N-O 2.93Å; K27-D64 VanDerWaalsContact N-O 3.12Å; K27-D64 IonicContact NZ-OD1 3.12Å; K27-D64 PolarHBondContact NZ-OD1 3.37Å; K27-D64 IonicContact NZ-OD2 3.69Å; K27-D64 PolarHBondContact NZ-OD2 3.38Å; V62-D64 PolarHBondContact O-N 3.27Å
65R84.7Confident86.2Confident116 Ų11633.5 Ų33.544%0.43818%0.177SC..EExtended strand (participates in β ladder)trans-129.8132.8-172.1-55.1-173.8-179.4-153.5-6.8111.3Q28 V62Q28-R65 HydrophobicContact CB-CG 4.42Å; Q28-R65 VanDerWaalsContact O-CA 3.29Å; Q28-R65 WeakPolarHBondContact O-CA 3.47Å; V62-R65 PolarHBondContact N-O 2.87Å; V62-R65 PolarHBondContact O-N 2.85Å; V62-R65 VanDerWaalsContact O-O 3.13Å
66L87.7Confident85.1Confident0 Ų036.3 Ų36.30%019%0.19CC..EExtended strand (participates in β ladder)trans-91.5111.9172.6-177.766.1000109.1V26 Q28 I29 Q30 V61 I68 V107 V138V26-L66 HydrophobicContact CG1-CB 3.59Å; V26-L66 HydrophobicContact CG2-CB 4.45Å; Q28-L66 PolarHBondContact O-N 3.45Å; I29-L66 CarbonylContact C-O 3.56Å; I29-L66 WeakPolarHBondContact CA-O 3.32Å; I29-L66 HydrophobicContact CG1-CB 4.3Å; I29-L66 HydrophobicContact CG1-CD2 4.39Å; Q30-L66 PolarHBondContact N-O 3.5Å; V61-L66 HydrophobicContact CG2-CD1 3.53Å; L66-I68 HydrophobicContact CD2-CD1 4.45Å; L66-I68 HydrophobicContact CD2-CG1 4.39Å; L66-I68 HydrophobicContact CG-CG1 4.24Å; L66-V107 HydrophobicContact CD1-CB 3.85Å; L66-V107 HydrophobicContact CD1-CG1 3.86Å; L66-V107 HydrophobicContact CD1-CG2 4.36Å; L66-V107 HydrophobicContact CD2-CB 4.39Å; L66-V138 HydrophobicContact CD2-CB 4.17Å; L66-V138 HydrophobicContact CD2-CG2 3.7Å
67E88.4Confident83.7Confident54 Ų5440.4 Ų40.425%0.25221%0.208SC..EExtended strand (participates in β ladder)trans-94.6109.9177-58.3-158.2150.100109.9Q30 G59 L60 V62 K196Q30-E67 HydrophobicContact CB-CG 4.2Å; Q30-E67 PolarHBondContact NE2-OE1 3.48Å; Q30-E67 WeakPolarHBondContact O-CA 3.39Å; Q30-E67 PolarHBondContact OE1-OE1 2.85Å; G59-E67 CarbonylContact C-O 3.5Å; G59-E67 WeakPolarHBondContact CA-O 3.28Å; L60-E67 PolarHBondContact N-O 3.21Å; L60-E67 PolarHBondContact O-N 3.02Å; V62-E67 HydrophobicContact CG2-CG 4.46Å; E67-K196 IonicContact OE1-NZ 2.58Å
68I90.5Very high81.9Confident2 Ų244.5 Ų44.51%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-94.3107.4176.6-51.8-179.1000108I29 Q30 I31 E32 V35 L57 L58 L66 V107 L140I29-I68 HydrophobicContact CG2-CD1 3.57Å; I29-I68 HydrophobicContact CG2-CG1 4.02Å; Q30-I68 PolarHBondContact O-N 3.46Å; I31-I68 HydrophobicContact CD1-CD1 4.48Å; I31-I68 HydrophobicContact CG1-CD1 4.22Å; E32-I68 PolarHBondContact N-O 3.11Å; E32-I68 VanDerWaalsContact N-O 3.07Å; V35-I68 HydrophobicContact CG1-CG2 4.13Å; V35-I68 HydrophobicContact CG2-CG2 4.05Å; L57-I68 HydrophobicContact CB-CG2 4.18Å; L57-I68 HydrophobicContact CD1-CD1 4.17Å; L57-I68 HydrophobicContact CD2-CG2 4.16Å; L58-I68 WeakPolarHBondContact O-CG2 3.49Å; L66-I68 HydrophobicContact CD2-CD1 4.45Å; L66-I68 HydrophobicContact CD2-CG1 4.39Å; L66-I68 HydrophobicContact CG-CG1 4.24Å; I68-V107 HydrophobicContact CG1-CG2 4.38Å; I68-L140 HydrophobicContact CD1-CD1 3.94Å
69T88.1Confident80Confident32 Ų3254.1 Ų54.120%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-93.7-34-17655.50000111.7V35 L58V35-T69 WeakPolarHBondContact CG2-O 3.42Å; L58-T69 PolarHBondContact O-N 2.81Å
70N89.4Confident78.2Confident10 Ų1061.6 Ų61.65%0.05332%0.319CS..EExtended strand (participates in β ladder)trans-148.2162.1-174.7-155.62.7000112.9K38 L58 L97 I102K38-N70 PolarHBondContact NZ-OD1 3.36Å; L58-N70 WeakPolarHBondContact CA-O 3.3Å; L58-N70 HydrophobicContact CB-CB 4.31Å; L58-N70 WeakPolarHBondContact CB-O 3.39Å; L58-N70 HydrophobicContact CD1-CB 4.36Å; L58-N70 PolarHBondContact N-O 3.21Å; L58-N70 PolarHBondContact O-N 3.2Å; L58-N70 VanDerWaalsContact O-O 3.08Å; N70-L97 WeakPolarHBondContact ND2-CD2 3.36Å; N70-I102 HydrophobicContact CB-CG2 4.26Å
71C89.3Confident76.6Confident2 Ų262.5 Ų62.51%0.01432%0.324CS..EExtended strand (participates in β ladder)trans-145.4154.5171.868.20000109.8V35 K38 V56 L57 Y110V35-C71 HydrophobicContact CG1-CB 4.02Å; K38-C71 VanDerWaalsContact CB-SG 3.56Å; V56-C71 VanDerWaalsContact O-CA 3.27Å; V56-C71 WeakPolarHBondContact O-CA 3.33Å; V56-C71 VanDerWaalsContact O-CB 3.26Å; V56-C71 WeakPolarHBondContact O-CB 3.35Å; L57-C71 HydrophobicContact CD2-CB 3.86Å; C71-Y110 HydrophobicContact CB-CD1 4.37Å; C71-Y110 HydrophobicContact CB-CE1 4.01Å
72F87.8Confident75Confident12 Ų1265.4 Ų65.45%0.05335%0.352CS..EExtended strand (participates in β ladder)trans-132.6142.8167.462.2-97.8000111.1G55 V56 L58 Y89 Q90 M93 M94 L97G55-F72 CarbonylContact C-O 3.46Å; G55-F72 WeakPolarHBondContact CA-O 3.47Å; V56-F72 HydrophobicContact CG2-CD1 3.52Å; V56-F72 HydrophobicContact CG2-CD2 3.72Å; V56-F72 HydrophobicContact CG2-CE1 3.19Å; V56-F72 HydrophobicContact CG2-CE2 3.39Å; V56-F72 HydrophobicContact CG2-CG 3.8Å; V56-F72 HydrophobicContact CG2-CZ 3.14Å; V56-F72 PolarHBondContact N-O 3.15Å; V56-F72 PolarHBondContact O-N 2.87Å; L58-F72 HydrophobicContact CD1-CD1 3.78Å; L58-F72 HydrophobicContact CD1-CE1 3.92Å; L58-F72 HydrophobicContact CD2-CE1 4.14Å; L58-F72 HydrophobicContact CG-CD1 4.35Å; L58-F72 HydrophobicContact CG-CE1 4.32Å; F72-Y89 HydrophobicContact CD2-CE1 4.23Å; F72-Y89 HydrophobicContact CE2-CE1 4.25Å; F72-Q90 HydrophobicContact CZ-CG 4.15Å; F72-M93 HydrophobicContact CB-CG 4.23Å; F72-M93 HydrophobicContact CD1-CG 3.7Å; F72-M93 HydrophobicContact CD2-CB 4.3Å; F72-M93 HydrophobicContact CD2-CG 3.65Å; F72-M93 HydrophobicContact CE1-CB 4.25Å; F72-M93 HydrophobicContact CE1-CG 3.75Å; F72-M93 HydrophobicContact CE2-CB 3.88Å; F72-M93 HydrophobicContact CE2-CG 3.71Å; F72-M93 HydrophobicContact CG-CG 3.62Å; F72-M93 HydrophobicContact CZ-CB 3.83Å; F72-M93 HydrophobicContact CZ-CG 3.74Å; F72-M94 HydrophobicContact CE1-CE 4.11Å; F72-M94 HydrophobicContact CE1-SD 4.22Å; F72-M94 HydrophobicContact CZ-CE 4.25Å; F72-L97 HydrophobicContact CD1-CD1 3.72Å; F72-L97 HydrophobicContact CE1-CD1 3.78Å
73P86.1Confident73.7Confident47 Ų4770.5 Ų70.531%0.30538%0.378SS..EExtended strand (participates in β ladder)trans-69.1147.3177.931.1-37000111.6H42 Y110H42-P73 WeakPolarHBondContact CE1-CB 3.43Å; H42-P73 VanDerWaalsContact ND1-CB 3.29Å; H42-P73 WeakPolarHBondContact ND1-CB 3.33Å; H42-P73 VanDerWaalsContact NE2-CB 3.29Å; H42-P73 WeakPolarHBondContact NE2-CB 3.24Å; P73-Y110 WeakPolarHBondContact CA-OH 3.29Å
74F82.7Confident72.7Confident12 Ų1266.4 Ų66.45%0.05335%0.352CS..PPolyproline II helixtrans-89.7128.2156.4-78.9-60.2000108.1Q54 V56 Y89 Q90Q54-F74 HydrophobicContact CG-CB 4.2Å; Q54-F74 HydrophobicContact CG-CD2 4.47Å; Q54-F74 PolarHBondContact O-N 3.47Å; V56-F74 HydrophobicContact CG1-CD2 4.23Å; V56-F74 HydrophobicContact CG1-CE2 3.29Å; V56-F74 HydrophobicContact CG1-CZ 3.49Å; V56-F74 VanDerWaalsContact CG1-CZ 3.49Å; F74-Y89 HydrophobicContact CD1-CD1 4Å; F74-Y89 HydrophobicContact CD1-CE1 4.26Å; F74-Y89 HydrophobicContact CE1-CD1 4.19Å; F74-Q90 HydrophobicContact CE1-CB 4.38Å
75P73.9Confident72.1Confident39 Ų3968.1 Ų68.125%0.25336%0.362SS..PPolyproline II helixtrans-61.4144.9171.525.8-31.4000109.9F84P75-F84 HydrophobicContact CG-CE1 3.95Å; P75-F84 HydrophobicContact CG-CE2 4.19Å; P75-F84 HydrophobicContact CG-CZ 3.49Å; P75-F84 VanDerWaalsContact CG-CZ 3.49Å
76Q65.3Low71.4Confident60 Ų6066.2 Ų66.228%0.2836%0.357SS..PPolyproline II helixtrans-64.9137.3176-69.7173.3-0.900111.1E46 E51 T78E46-Q76 PolarHBondContact O-NE2 3.32Å; E46-Q76 VanDerWaalsContact O-NE2 3.1Å; E51-Q76 PolarHBondContact OE2-OE1 3.32Å; E51-Q76 VanDerWaalsContact OE2-OE1 3.13Å; Q76-T78 PolarHBondContact O-N 2.94Å; Q76-T78 VanDerWaalsContact O-N 3.16Å
77H59Low70.8Confident85 Ų8569.8 Ų69.839%0.39438%0.379SS..  trans-74.299.5168-68.3-80.3000109F84 E86H77-F84 AromaticContact CE1-CD1 3.64Å; H77-E86 IonicContact CD2-OE1 3.89Å; H77-E86 IonicContact CE1-OE1 3.42Å; H77-E86 WeakPolarHBondContact NE2-CG 3.2Å; H77-E86 IonicContact NE2-OE1 3.98Å; H77-E86 PolarHBondContact NE2-OE1 3.23Å
78T52.9Low70.5Confident88 Ų8872.9 Ų72.954%0.5439%0.394SS..  trans-68.2137158.428.80000108.5Q76 D80 D81Q76-T78 PolarHBondContact O-N 2.94Å; Q76-T78 VanDerWaalsContact O-N 3.16Å; T78-D80 PolarHBondContact O-N 3.01Å; T78-D81 PolarHBondContact O-N 3.42Å
79E50.8Low70.1Confident201 Ų20175.7 Ų75.794%0.93941%0.405SS*.THydrogen-bonded Turntrans-54.7-7.7-175.3-63-174.8149.900115
80D50.2Low69.7Low158 Ų15876.1 Ų76.185%0.84541%0.405SS*.THydrogen-bonded Turntrans-87.2-9.1174.9-74.1-35.5000114.9T78T78-D80 PolarHBondContact O-N 3.01Å
81D53.3Low69.4Low91 Ų9180.8 Ų80.849%0.48743%0.427SS..  trans-105.657.9-177.2-81.2-45.4000112.9T78 D83 F84T78-D81 PolarHBondContact O-N 3.42Å; D81-D83 PolarHBondContact O-N 3.43Å; D81-F84 HydrophobicContact CB-CB 4.36Å; D81-F84 PolarHBondContact O-N 3.32Å
82A52.3Low69.2Low102 Ų10286.2 Ų86.284%0.84345%0.452SS*.THydrogen-bonded Turntrans-61.4-8.6177.500000114.9
83D54.8Low68.9Low161 Ų16188.1 Ų88.186%0.86146%0.462SS*.THydrogen-bonded Turntrans-108.47.1-179.1-70.2-35.4000113.7D81 D85D81-D83 PolarHBondContact O-N 3.43Å; D83-D85 PolarHBondContact O-N 3.47Å
84F58.6Low68.6Low75 Ų7587.2 Ų87.233%0.32945%0.454SS..  trans-73.398.3178.8-165.6-97.2000111.3P75 H77 D81 E86 Y89P75-F84 HydrophobicContact CG-CE1 3.95Å; P75-F84 HydrophobicContact CG-CE2 4.19Å; P75-F84 HydrophobicContact CG-CZ 3.49Å; P75-F84 VanDerWaalsContact CG-CZ 3.49Å; H77-F84 AromaticContact CE1-CD1 3.64Å; D81-F84 HydrophobicContact CB-CB 4.36Å; D81-F84 PolarHBondContact O-N 3.32Å; F84-E86 HydrophobicContact CD1-CG 4.25Å; F84-E86 PolarHBondContact O-N 3Å; F84-Y89 HydrophobicContact CE1-CG 4.26Å; F84-Y89 HydrophobicContact CE2-CD2 4.44Å; F84-Y89 HydrophobicContact CZ-CD1 4.35Å; F84-Y89 AromaticContact CZ-CD2 3.8Å; F84-Y89 HydrophobicContact CZ-CD2 3.8Å; F84-Y89 AromaticContact CZ-CG 3.67Å; F84-Y89 HydrophobicContact CZ-CG 3.67Å
85D67.8Low68.7Low84 Ų8494.1 Ų94.145%0.44948%0.48SS..  trans-7592.6173.2-169.5-10.4000109.9D83 V87 Q88 Y89D83-D85 PolarHBondContact O-N 3.47Å; D85-V87 PolarHBondContact O-N 3Å; D85-V87 VanDerWaalsContact O-N 3.11Å; D85-V87 VanDerWaalsContact OD1-CB 3.29Å; D85-V87 WeakPolarHBondContact OD1-CB 3.25Å; D85-V87 PolarHBondContact OD1-N 2.95Å; D85-V87 VanDerWaalsContact OD1-N 3.08Å; D85-Q88 HydrophobicContact CB-CB 3.8Å; D85-Q88 WeakPolarHBondContact O-CB 3.48Å; D85-Q88 PolarHBondContact O-N 2.89Å; D85-Q88 PolarHBondContact OD1-N 3.29Å; D85-Y89 PolarHBondContact O-N 2.84Å
86E70.3Confident69.3Low75 Ų7595.1 Ų95.135%0.3549%0.488SS..Hα-helixtrans-49.1-36.1174.8-68.7-176160.300112H77 F84 Q90H77-E86 IonicContact CD2-OE1 3.89Å; H77-E86 IonicContact CE1-OE1 3.42Å; H77-E86 WeakPolarHBondContact NE2-CG 3.2Å; H77-E86 IonicContact NE2-OE1 3.98Å; H77-E86 PolarHBondContact NE2-OE1 3.23Å; F84-E86 HydrophobicContact CD1-CG 4.25Å; F84-E86 PolarHBondContact O-N 3Å; E86-Q90 VanDerWaalsContact O-CB 3.31Å; E86-Q90 WeakPolarHBondContact O-CB 3.32Å; E86-Q90 PolarHBondContact O-N 2.92Å
87V75.1Confident70.1Confident76 Ų7693 Ų9346%0.46148%0.478SS..Hα-helixtrans-71.4-41.2-178.5-175.90000110D85 Q90 M91D85-V87 PolarHBondContact O-N 3Å; D85-V87 VanDerWaalsContact O-N 3.11Å; D85-V87 VanDerWaalsContact OD1-CB 3.29Å; D85-V87 WeakPolarHBondContact OD1-CB 3.25Å; D85-V87 PolarHBondContact OD1-N 2.95Å; D85-V87 VanDerWaalsContact OD1-N 3.08Å; V87-Q90 PolarHBondContact O-N 3.34Å; V87-M91 HydrophobicContact CG1-CE 3.86Å; V87-M91 WeakPolarHBondContact O-CB 3.33Å; V87-M91 VanDerWaalsContact O-CG 3.29Å; V87-M91 WeakPolarHBondContact O-CG 2.99Å; V87-M91 PolarHBondContact O-N 3.36Å
88Q81.6Confident71.3Confident118 Ų11896.5 Ų96.555%0.55149%0.488SS*.Hα-helixtrans-63.6-45.7175.5-175175.3-19.800111.3D85 Q90 M91 E92D85-Q88 HydrophobicContact CB-CB 3.8Å; D85-Q88 WeakPolarHBondContact O-CB 3.48Å; D85-Q88 PolarHBondContact O-N 2.89Å; D85-Q88 PolarHBondContact OD1-N 3.29Å; Q88-Q90 VanDerWaalsContact C-N 3.34Å; Q88-Q90 PolarHBondContact O-N 3.35Å; Q88-M91 PolarHBondContact O-N 3.47Å; Q88-E92 WeakPolarHBondContact O-CB 3.44Å; Q88-E92 PolarHBondContact O-N 3.3Å
89Y83.4Confident72.8Confident62 Ų6299.8 Ų99.824%0.24350%0.497CS..Hα-helixtrans-59.3-46.7176.2178.8-98.7000111.3F72 F74 F84 D85 M91 E92 M93F72-Y89 HydrophobicContact CD2-CE1 4.23Å; F72-Y89 HydrophobicContact CE2-CE1 4.25Å; F74-Y89 HydrophobicContact CD1-CD1 4Å; F74-Y89 HydrophobicContact CD1-CE1 4.26Å; F74-Y89 HydrophobicContact CE1-CD1 4.19Å; F84-Y89 HydrophobicContact CE1-CG 4.26Å; F84-Y89 HydrophobicContact CE2-CD2 4.44Å; F84-Y89 HydrophobicContact CZ-CD1 4.35Å; F84-Y89 AromaticContact CZ-CD2 3.8Å; F84-Y89 HydrophobicContact CZ-CD2 3.8Å; F84-Y89 AromaticContact CZ-CG 3.67Å; F84-Y89 HydrophobicContact CZ-CG 3.67Å; D85-Y89 PolarHBondContact O-N 2.84Å; Y89-M91 VanDerWaalsContact C-N 3.34Å; Y89-M91 PolarHBondContact O-N 3.41Å; Y89-E92 PolarHBondContact O-N 3.23Å; Y89-M93 HydrophobicContact CE1-CE 4.28Å; Y89-M93 HydrophobicContact CE2-CE 4Å; Y89-M93 VanDerWaalsContact O-CB 3.31Å; Y89-M93 WeakPolarHBondContact O-CB 3.39Å; Y89-M93 PolarHBondContact O-N 3.03Å; Y89-M93 VanDerWaalsContact OH-CE 3.29Å; Y89-M93 WeakPolarHBondContact OH-CE 3.46Å
90Q79.5Confident74.4Confident41 Ų4194.9 Ų94.919%0.19248%0.48CS..Hα-helixtrans-59.2-46.1176.4-168.8-176.712.600111F72 F74 E86 V87 Q88 E92 M93 M94F72-Q90 HydrophobicContact CZ-CG 4.15Å; F74-Q90 HydrophobicContact CE1-CB 4.38Å; E86-Q90 VanDerWaalsContact O-CB 3.31Å; E86-Q90 WeakPolarHBondContact O-CB 3.32Å; E86-Q90 PolarHBondContact O-N 2.92Å; V87-Q90 PolarHBondContact O-N 3.34Å; Q88-Q90 VanDerWaalsContact C-N 3.34Å; Q88-Q90 PolarHBondContact O-N 3.35Å; Q90-E92 PolarHBondContact O-N 3.06Å; Q90-M93 PolarHBondContact O-N 3.05Å; Q90-M94 HydrophobicContact CG-CE 4.39Å; Q90-M94 HydrophobicContact CG-CG 4.42Å; Q90-M94 VanDerWaalsContact O-CB 3.31Å; Q90-M94 WeakPolarHBondContact O-CB 3.14Å; Q90-M94 WeakPolarHBondContact O-CG 3.35Å; Q90-M94 PolarHBondContact O-N 3.3Å
91M81.9Confident75.9Confident108 Ų10894.6 Ų94.653%0.53248%0.479SS..Hα-helixtrans-63.7-40.9178.9-75.3-168.4-17600112.9V87 Q88 Y89 R95V87-M91 HydrophobicContact CG1-CE 3.86Å; V87-M91 WeakPolarHBondContact O-CB 3.33Å; V87-M91 VanDerWaalsContact O-CG 3.29Å; V87-M91 WeakPolarHBondContact O-CG 2.99Å; V87-M91 PolarHBondContact O-N 3.36Å; Q88-M91 PolarHBondContact O-N 3.47Å; Y89-M91 VanDerWaalsContact C-N 3.34Å; Y89-M91 PolarHBondContact O-N 3.41Å; M91-R95 WeakPolarHBondContact O-CG 3.25Å; M91-R95 PolarHBondContact O-N 2.94Å
92E85Confident77Confident115 Ų11593.2 Ų93.254%0.53747%0.471SS..Hα-helixtrans-69.5-40.8178.8-173.3164.2-165.600111.9Q88 Y89 Q90 R95 S96Q88-E92 WeakPolarHBondContact O-CB 3.44Å; Q88-E92 PolarHBondContact O-N 3.3Å; Y89-E92 PolarHBondContact O-N 3.23Å; Q90-E92 PolarHBondContact O-N 3.06Å; E92-R95 WeakPolarHBondContact O-CB 3.39Å; E92-R95 PolarHBondContact O-N 3.21Å; E92-S96 PolarHBondContact O-N 3.43Å; E92-S96 PolarHBondContact O-OG 3.36Å
93M81.7Confident78.1Confident53 Ų5391.8 Ų91.826%0.26145%0.449SS..Hα-helixtrans-63.9-43.9174.5-166.858.868.500111F72 Y89 Q90 R95 S96 L97F72-M93 HydrophobicContact CB-CG 4.23Å; F72-M93 HydrophobicContact CD1-CG 3.7Å; F72-M93 HydrophobicContact CD2-CB 4.3Å; F72-M93 HydrophobicContact CD2-CG 3.65Å; F72-M93 HydrophobicContact CE1-CB 4.25Å; F72-M93 HydrophobicContact CE1-CG 3.75Å; F72-M93 HydrophobicContact CE2-CB 3.88Å; F72-M93 HydrophobicContact CE2-CG 3.71Å; F72-M93 HydrophobicContact CG-CG 3.62Å; F72-M93 HydrophobicContact CZ-CB 3.83Å; F72-M93 HydrophobicContact CZ-CG 3.74Å; Y89-M93 HydrophobicContact CE1-CE 4.28Å; Y89-M93 HydrophobicContact CE2-CE 4Å; Y89-M93 VanDerWaalsContact O-CB 3.31Å; Y89-M93 WeakPolarHBondContact O-CB 3.39Å; Y89-M93 PolarHBondContact O-N 3.03Å; Y89-M93 VanDerWaalsContact OH-CE 3.29Å; Y89-M93 WeakPolarHBondContact OH-CE 3.46Å; Q90-M93 PolarHBondContact O-N 3.05Å; M93-R95 VanDerWaalsContact C-N 3.32Å; M93-R95 PolarHBondContact O-N 2.92Å; M93-S96 WeakPolarHBondContact O-CB 3.45Å; M93-S96 PolarHBondContact O-N 3Å; M93-S96 VanDerWaalsContact O-N 3.12Å; M93-L97 HydrophobicContact CG-CD1 4.04Å; M93-L97 WeakPolarHBondContact O-CD1 3.22Å; M93-L97 PolarHBondContact O-N 2.85Å
94M81.5Confident79.2Confident27 Ų2786.9 Ų86.913%0.13342%0.421CS..Hα-helixtrans-61.5-38.5175-70.8-69.1-16900112.4L58 F72 Q90 R98 H104 H106L58-M94 HydrophobicContact CD2-CE 3.34Å; L58-M94 HydrophobicContact CD2-SD 3.71Å; F72-M94 HydrophobicContact CE1-CE 4.11Å; F72-M94 HydrophobicContact CE1-SD 4.22Å; F72-M94 HydrophobicContact CZ-CE 4.25Å; Q90-M94 HydrophobicContact CG-CE 4.39Å; Q90-M94 HydrophobicContact CG-CG 4.42Å; Q90-M94 VanDerWaalsContact O-CB 3.31Å; Q90-M94 WeakPolarHBondContact O-CB 3.14Å; Q90-M94 WeakPolarHBondContact O-CG 3.35Å; Q90-M94 PolarHBondContact O-N 3.3Å; M94-R98 WeakPolarHBondContact O-CB 3.25Å; M94-R98 PolarHBondContact O-N 3.22Å; M94-H104 HydrophobicContact SD-CB 3.88Å; M94-H106 HydrophobicContact CE-CB 4.05Å
95R84.8Confident80.4Confident157 Ų15787.4 Ų87.459%0.59243%0.427SS*.Hα-helixtrans-63.2-46.1172.2-76.7177.3-168.4161.36.2110.7M91 E92 M93 L97 R98 H99M91-R95 WeakPolarHBondContact O-CG 3.25Å; M91-R95 PolarHBondContact O-N 2.94Å; E92-R95 WeakPolarHBondContact O-CB 3.39Å; E92-R95 PolarHBondContact O-N 3.21Å; M93-R95 VanDerWaalsContact C-N 3.32Å; M93-R95 PolarHBondContact O-N 2.92Å; R95-L97 VanDerWaalsContact C-N 3.35Å; R95-L97 PolarHBondContact O-N 3.12Å; R95-R98 WeakPolarHBondContact O-CB 3.34Å; R95-R98 PolarHBondContact O-N 3.04Å; R95-H99 PolarHBondContact O-N 3.49Å; R95-H99 VanDerWaalsContact O-N 3.1Å; R95-H99 PolarHBondContact O-ND1 3.3Å
96S84.8Confident81.2Confident60 Ų6084.8 Ų84.842%0.4241%0.412SS..Hα-helixtrans-60.5-44.5-179.8-60.60000111.6E92 M93 R98 H99 V100E92-S96 PolarHBondContact O-N 3.43Å; E92-S96 PolarHBondContact O-OG 3.36Å; M93-S96 WeakPolarHBondContact O-CB 3.45Å; M93-S96 PolarHBondContact O-N 3Å; M93-S96 VanDerWaalsContact O-N 3.12Å; S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 3.32Å; S96-H99 PolarHBondContact O-N 3.09Å; S96-V100 PolarHBondContact O-N 2.89Å
97L83.4Confident82Confident17 Ų1781.6 Ų81.69%0.08940%0.397CS..Hα-helixtrans-61.3-39.2174.7-78.3149.5000112.7L58 N70 F72 M93 R95 H99 V100 N101 I102 H104L58-L97 HydrophobicContact CD1-CD1 3.45Å; L58-L97 VanDerWaalsContact CD1-CD1 3.45Å; L58-L97 HydrophobicContact CD1-CD2 4.15Å; L58-L97 HydrophobicContact CD1-CG 4.4Å; N70-L97 WeakPolarHBondContact ND2-CD2 3.36Å; F72-L97 HydrophobicContact CD1-CD1 3.72Å; F72-L97 HydrophobicContact CE1-CD1 3.78Å; M93-L97 HydrophobicContact CG-CD1 4.04Å; M93-L97 WeakPolarHBondContact O-CD1 3.22Å; M93-L97 PolarHBondContact O-N 2.85Å; R95-L97 VanDerWaalsContact C-N 3.35Å; R95-L97 PolarHBondContact O-N 3.12Å; L97-H99 VanDerWaalsContact C-N 3.33Å; L97-H99 PolarHBondContact O-N 3.25Å; L97-V100 PolarHBondContact O-N 2.94Å; L97-V100 VanDerWaalsContact O-N 3.17Å; L97-N101 PolarHBondContact O-N 3.12Å; L97-I102 HydrophobicContact CD2-CB 3.95Å; L97-I102 HydrophobicContact CD2-CD1 4.11Å; L97-I102 HydrophobicContact CD2-CG2 3.8Å; L97-I102 PolarHBondContact O-N 3.43Å; L97-I102 VanDerWaalsContact O-N 3.09Å; L97-H104 HydrophobicContact CB-CB 4.48Å
98R83.2Confident82.7Confident158 Ų15878 Ų7860%0.59638%0.376SS*.Hα-helixtrans-62.7-37.1175.3-170.4-175.6-74.8177.8-0.6112.3M94 R95 S96 V100 N101 H104M94-R98 WeakPolarHBondContact O-CB 3.25Å; M94-R98 PolarHBondContact O-N 3.22Å; R95-R98 WeakPolarHBondContact O-CB 3.34Å; R95-R98 PolarHBondContact O-N 3.04Å; S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 3.32Å; R98-V100 PolarHBondContact O-N 3.33Å; R98-N101 PolarHBondContact O-N 3.08Å; R98-H104 VanDerWaalsContact CZ-NE2 3.28Å; R98-H104 PolarHBondContact NE-CD2 3.47Å; R98-H104 PolarHBondContact NE-NE2 3.22Å; R98-H104 PolarHBondContact NH2-CD2 3.43Å; R98-H104 PolarHBondContact NH2-NE2 2.85Å
99H84.8Confident83.1Confident157 Ų15772.9 Ų72.973%0.72735%0.351SS*.Hα-helixtrans-66.6-27.2176.9-70.489000112.9R95 S96 L97 N101R95-H99 PolarHBondContact O-N 3.49Å; R95-H99 VanDerWaalsContact O-N 3.1Å; R95-H99 PolarHBondContact O-ND1 3.3Å; S96-H99 PolarHBondContact O-N 3.09Å; L97-H99 VanDerWaalsContact C-N 3.33Å; L97-H99 PolarHBondContact O-N 3.25Å; H99-N101 VanDerWaalsContact C-N 3.27Å
100V84.9Confident83.5Confident97 Ų9770.1 Ų70.159%0.58834%0.34SS*.THydrogen-bonded Turntrans-89.45.5179-171.20000111.5S96 L97 R98 I102S96-V100 PolarHBondContact O-N 2.89Å; L97-V100 PolarHBondContact O-N 2.94Å; L97-V100 VanDerWaalsContact O-N 3.17Å; R98-V100 PolarHBondContact O-N 3.33Å; V100-I102 HydrophobicContact CB-CD1 4.11Å; V100-I102 HydrophobicContact CB-CG1 4.22Å; V100-I102 HydrophobicContact CG1-CD1 3.75Å; V100-I102 HydrophobicContact CG1-CG1 4.03Å; V100-I102 PolarHBondContact O-N 2.82Å
101N80.4Confident83.8Confident153 Ų15369.8 Ų69.882%0.81834%0.339SS*.THydrogen-bonded Turntrans55.634-174.6-60.5-44.6000113.2L97 R98 H99L97-N101 PolarHBondContact O-N 3.12Å; R98-N101 PolarHBondContact O-N 3.08Å; H99-N101 VanDerWaalsContact C-N 3.27Å
102I77.6Confident84Confident61 Ų6165 Ų6531%0.31332%0.316SS..  trans-95.5144.6172.2-60.3170.8000108.6N70 L97 V100 H104N70-I102 HydrophobicContact CB-CG2 4.26Å; L97-I102 HydrophobicContact CD2-CB 3.95Å; L97-I102 HydrophobicContact CD2-CD1 4.11Å; L97-I102 HydrophobicContact CD2-CG2 3.8Å; L97-I102 PolarHBondContact O-N 3.43Å; L97-I102 VanDerWaalsContact O-N 3.09Å; V100-I102 HydrophobicContact CB-CD1 4.11Å; V100-I102 HydrophobicContact CB-CG1 4.22Å; V100-I102 HydrophobicContact CG1-CD1 3.75Å; V100-I102 HydrophobicContact CG1-CG1 4.03Å; V100-I102 PolarHBondContact O-N 2.82Å; I102-H104 PolarHBondContact O-N 2.87Å
103D75.9Confident83.7Confident72 Ų7259.9 Ų59.939%0.38529%0.293SS..  trans-57.5120.7174.3-61.8-38.4000111.1
104H76.3Confident83.3Confident58 Ų5861.5 Ų61.527%0.26930%0.296SS..  trans-107.715.3-179.565.6-24.8000113.2M94 L97 R98 I102 H106M94-H104 HydrophobicContact SD-CB 3.88Å; L97-H104 HydrophobicContact CB-CB 4.48Å; R98-H104 VanDerWaalsContact CZ-NE2 3.28Å; R98-H104 PolarHBondContact NE-CD2 3.47Å; R98-H104 PolarHBondContact NE-NE2 3.22Å; R98-H104 PolarHBondContact NH2-CD2 3.43Å; R98-H104 PolarHBondContact NH2-NE2 2.85Å; I102-H104 PolarHBondContact O-N 2.87Å; H104-H106 PolarHBondContact O-N 3.32Å
105L84.8Confident82.6Confident87 Ų8761 Ų6146%0.45529%0.293SS..  trans-77.1121.3178.6-75.4171.8000108.9L58 G59 L60 V107L58-L105 VanDerWaalsContact CA-O 3.24Å; L58-L105 WeakPolarHBondContact CA-O 3.3Å; G59-L105 PolarHBondContact N-O 3.45Å; G59-L105 WeakPolarHBondContact O-CB 3.4Å; L60-L105 HydrophobicContact CD1-CD1 3.54Å; L105-V107 PolarHBondContact O-N 2.98Å
106H85.3Confident81.6Confident28 Ų2853.7 Ų53.713%0.1327%0.266CS..EExtended strand (participates in β ladder)trans-73.8120.8176.9-176.6-111.6000109.6M94 H104 G108 Y130 I134M94-H106 HydrophobicContact CE-CB 4.05Å; H104-H106 PolarHBondContact O-N 3.32Å; H106-G108 PolarHBondContact NE2-O 3.36Å; H106-G108 VanDerWaalsContact NE2-O 3.09Å; H106-Y130 AromaticContact CE1-CD1 3.46Å; H106-Y130 VanDerWaalsContact CE1-CD1 3.46Å; H106-Y130 WeakPolarHBondContact CE1-CD1 2.99Å; H106-Y130 AromaticContact CE1-CE1 3.59Å; H106-I134 HydrophobicContact CB-CD1 4.08Å; H106-I134 WeakPolarHBondContact O-CD1 3.46Å
107V86.8Confident80.9Confident9 Ų952.9 Ų52.96%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-121-1.5-177.2-65.60000113.6L57 G59 L66 I68 L105 S137 V138L57-V107 HydrophobicContact CB-CG2 4.1Å; L57-V107 WeakPolarHBondContact O-CG2 3.04Å; L57-V107 PolarHBondContact O-N 3.15Å; G59-V107 VanDerWaalsContact O-CG1 3.28Å; G59-V107 WeakPolarHBondContact O-CG1 3.39Å; L66-V107 HydrophobicContact CD1-CB 3.85Å; L66-V107 HydrophobicContact CD1-CG1 3.86Å; L66-V107 HydrophobicContact CD1-CG2 4.36Å; L66-V107 HydrophobicContact CD2-CB 4.39Å; I68-V107 HydrophobicContact CG1-CG2 4.38Å; L105-V107 PolarHBondContact O-N 2.98Å; V107-S137 WeakPolarHBondContact O-CA 3.2Å; V107-V138 PolarHBondContact O-N 2.94Å
108G88.9Confident80.3Confident0 Ų052.7 Ų52.70%026%0.259CS..EExtended strand (participates in β ladder)trans154.5-166.1-178.400000111.3L57 H106 V138L57-G108 WeakPolarHBondContact CB-O 3.46Å; L57-G108 PolarHBondContact N-O 3.41Å; H106-G108 PolarHBondContact NE2-O 3.36Å; H106-G108 VanDerWaalsContact NE2-O 3.09Å; G108-V138 VanDerWaalsContact CA-O 3.23Å; G108-V138 WeakPolarHBondContact CA-O 3.31Å
109W90.1Very high79.7Confident10 Ų1045.5 Ų45.54%0.03823%0.233CC..EExtended strand (participates in β ladder)trans-145.3158.4-178.764.1-69.5000109.8G55 L57 Q111 L123 Y130 V138 V139 L140G55-W109 CarbonylContact O-C 3.56Å; G55-W109 VanDerWaalsContact O-CA 3.22Å; G55-W109 WeakPolarHBondContact O-CA 3.43Å; G55-W109 VanDerWaalsContact O-CB 3.23Å; G55-W109 WeakPolarHBondContact O-CB 3.08Å; L57-W109 WeakPolarHBondContact CD1-O 3.4Å; W109-Q111 HydrophobicContact CE3-CB 4.19Å; W109-Q111 HydrophobicContact CH2-CB 4.32Å; W109-Q111 VanDerWaalsContact CH2-OE1 3.24Å; W109-Q111 HydrophobicContact CZ3-CB 3.68Å; W109-Q111 HydrophobicContact CZ3-CG 3.97Å; W109-L123 HydrophobicContact CH2-CD1 4.41Å; W109-L123 HydrophobicContact CH2-CG 3.93Å; W109-L123 HydrophobicContact CZ2-CG 3.93Å; W109-Y130 AromaticContact CD1-CD2 3.5Å; W109-Y130 AromaticContact CD1-CE2 3.78Å; W109-Y130 HydrophobicContact CD2-CE2 4.37Å; W109-Y130 HydrophobicContact CG-CD2 4.24Å; W109-Y130 HydrophobicContact CG-CE2 4.06Å; W109-Y130 AromaticContact NE1-CD2 3.55Å; W109-Y130 AromaticContact NE1-CE2 3.95Å; W109-V138 PolarHBondContact N-O 3.38Å; W109-V139 HydrophobicContact CZ2-CG1 4.27Å; W109-V139 HydrophobicContact CZ2-CG2 4.24Å; W109-V139 WeakPolarHBondContact O-CA 3.24Å; W109-L140 PolarHBondContact O-N 3.25Å
110Y91Very high79.3Confident4 Ų440.9 Ų40.92%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-116.5151.617570.7-86.9000110.4I39 H42 Q54 G55 L57 C71 P73 L140I39-Y110 HydrophobicContact CB-CD2 4.48Å; I39-Y110 HydrophobicContact CB-CE2 4.38Å; I39-Y110 HydrophobicContact CD1-CD1 4.32Å; I39-Y110 HydrophobicContact CD1-CD2 4.21Å; I39-Y110 HydrophobicContact CD1-CG 3.99Å; I39-Y110 HydrophobicContact CG1-CD1 4.19Å; I39-Y110 HydrophobicContact CG1-CD2 3.85Å; I39-Y110 HydrophobicContact CG1-CE1 4.22Å; I39-Y110 HydrophobicContact CG1-CE2 3.88Å; I39-Y110 HydrophobicContact CG1-CG 4Å; I39-Y110 HydrophobicContact CG2-CD2 3.97Å; I39-Y110 HydrophobicContact CG2-CE2 4.11Å; H42-Y110 AromaticContact ND1-CE2 3.78Å; H42-Y110 AromaticContact ND1-CZ 3.72Å; H42-Y110 PolarHBondContact ND1-OH 2.83Å; Q54-Y110 WeakPolarHBondContact CA-O 3.35Å; G55-Y110 VanDerWaalsContact C-CE1 3.45Å; G55-Y110 VanDerWaalsContact CA-CE1 3.41Å; G55-Y110 PolarHBondContact N-O 3.42Å; G55-Y110 VanDerWaalsContact O-CD1 3.31Å; G55-Y110 WeakPolarHBondContact O-CD1 3.32Å; G55-Y110 PolarHBondContact O-N 2.99Å; L57-Y110 HydrophobicContact CD2-CD1 3.7Å; L57-Y110 HydrophobicContact CD2-CG 4.36Å; L57-Y110 HydrophobicContact CG-CD1 4.2Å; C71-Y110 HydrophobicContact CB-CD1 4.37Å; C71-Y110 HydrophobicContact CB-CE1 4.01Å; P73-Y110 WeakPolarHBondContact CA-OH 3.29Å; Y110-L140 CarbonylContact C-O 3.6Å; Y110-L140 WeakPolarHBondContact CA-O 3.23Å
111Q87.4Confident78.8Confident35 Ų3541 Ų4116%0.16421%0.208CC..EExtended strand (participates in β ladder)trans-139.9133.2178.9-166176.712.500109.2V52 V53 W109 L140 I141 Y142V52-Q111 HydrophobicContact CG1-CG 3.21Å; V53-Q111 CarbonylContact O-C 3.45Å; V53-Q111 WeakPolarHBondContact O-CA 3.43Å; W109-Q111 HydrophobicContact CE3-CB 4.19Å; W109-Q111 HydrophobicContact CH2-CB 4.32Å; W109-Q111 VanDerWaalsContact CH2-OE1 3.24Å; W109-Q111 HydrophobicContact CZ3-CB 3.68Å; W109-Q111 HydrophobicContact CZ3-CG 3.97Å; Q111-L140 PolarHBondContact N-O 2.95Å; Q111-I141 WeakPolarHBondContact O-CA 3.45Å; Q111-Y142 PolarHBondContact O-N 2.88Å
112S84.7Confident78.8Confident7 Ų736.6 Ų36.65%0.04919%0.193CC..EExtended strand (participates in β ladder)trans-75.8148.6167.5720000110.1V52 V53 Y142V52-S112 WeakPolarHBondContact CG1-O 3.48Å; V53-S112 WeakPolarHBondContact CB-OG 3.43Å; V53-S112 PolarHBondContact N-OG 3.43Å; V53-S112 PolarHBondContact O-N 3.43Å; S112-Y142 CarbonylContact C-O 3.51Å; S112-Y142 VanDerWaalsContact CA-O 3.3Å; S112-Y142 WeakPolarHBondContact CA-O 3.29Å
113T78.7Confident79Confident8 Ų834 Ų345%0.04918%0.18CC..  trans-128.5151.7175.4-169.80000111.1S117 F118 I141 Y142 D143 P144T113-S117 VanDerWaalsContact OG1-C 3.3Å; T113-S117 PolarHBondContact OG1-N 2.99Å; T113-S117 PolarHBondContact OG1-O 2.68Å; T113-F118 PolarHBondContact OG1-N 2.86Å; T113-I141 HydrophobicContact CG2-CG2 3.56Å; T113-Y142 PolarHBondContact N-O 3.09Å; T113-D143 HydrophobicContact CG2-CB 4.11Å; T113-P144 WeakPolarHBondContact O-CD 3.05Å
114Y73.6Confident79.1Confident87 Ų8730.6 Ų30.634%0.34116%0.162SC..SBendtrans-100115.8172.7-156.2-107.8000108.2G116 S117 I145Y114-G116 PolarHBondContact O-N 3.15Å; Y114-S117 PolarHBondContact O-N 3.44Å; Y114-S117 VanDerWaalsContact O-N 3.09Å; Y114-I145 HydrophobicContact CD2-CD1 3.6Å; Y114-I145 HydrophobicContact CE1-CD1 4.49Å; Y114-I145 HydrophobicContact CE2-CD1 3.42Å; Y114-I145 VanDerWaalsContact CE2-CD1 3.42Å; Y114-I145 HydrophobicContact CE2-CG1 4.46Å; Y114-I145 HydrophobicContact CG-CD1 4.21Å
115Y67.8Low79.4Confident16 Ų1631.5 Ų31.56%0.06317%0.168CC..THydrogen-bonded Turntrans55.424.1175.8-72.5-93.5000116.2I145 H228 K231 S232 L235 Y316Y115-I145 HydrophobicContact CD2-CD1 3.4Å; Y115-I145 HydrophobicContact CE1-CG2 4.46Å; Y115-I145 HydrophobicContact CE2-CD1 3.19Å; Y115-I145 HydrophobicContact CG-CD1 4.19Å; Y115-H228 AromaticContact CD1-CE1 3.54Å; Y115-H228 AromaticContact CD1-ND1 3.62Å; Y115-H228 HydrophobicContact CE1-CB 4.37Å; Y115-H228 AromaticContact CE1-CE1 3.51Å; Y115-H228 AromaticContact CE1-CG 3.79Å; Y115-H228 AromaticContact CE1-ND1 3.05Å; Y115-H228 WeakPolarHBondContact CE1-ND1 3.12Å; Y115-H228 WeakPolarHBondContact CE1-O 3.47Å; Y115-H228 AromaticContact CZ-ND1 3.85Å; Y115-K231 HydrophobicContact CD1-CB 4.44Å; Y115-K231 HydrophobicContact CE1-CB 3.76Å; Y115-K231 HydrophobicContact CE2-CB 4.29Å; Y115-K231 HydrophobicContact CE2-CD 4.11Å; Y115-K231 WeakPolarHBondContact OH-CD 3.43Å; Y115-S232 WeakPolarHBondContact CD1-OG 3.45Å; Y115-L235 VanDerWaalsContact CB-CD1 3.45Å; Y115-L235 HydrophobicContact CD2-CD1 4.17Å; Y115-L235 HydrophobicContact CG-CD1 3.88Å; Y115-Y316 WeakPolarHBondContact O-CE1 3.26Å
116G64.2Low79.3Confident3 Ų329.8 Ų29.83%0.03116%0.164CC..THydrogen-bonded Turntrans81.511.2-179.500000114.9Y114 F118Y114-G116 PolarHBondContact O-N 3.15Å; G116-F118 VanDerWaalsContact O-CD1 3.26Å; G116-F118 WeakPolarHBondContact O-CD1 3.43Å; G116-F118 PolarHBondContact O-N 3.08Å
117S68.6Low79.2Confident43 Ų4328.5 Ų28.530%0.30116%0.158SC..  trans-78.167.3169.7-170.80000111.4T113 Y114 Y316T113-S117 VanDerWaalsContact OG1-C 3.3Å; T113-S117 PolarHBondContact OG1-N 2.99Å; T113-S117 PolarHBondContact OG1-O 2.68Å; Y114-S117 PolarHBondContact O-N 3.44Å; Y114-S117 VanDerWaalsContact O-N 3.09Å; S117-Y316 WeakPolarHBondContact CB-OH 3.44Å
118F70.8Confident79Confident14 Ų1430.1 Ų30.16%0.06116%0.164CC..  trans-106.9-23.4-177.863.4-97.7000114.7T113 G116 S120 L123 I141 Y157 N315T113-F118 PolarHBondContact OG1-N 2.86Å; G116-F118 VanDerWaalsContact O-CD1 3.26Å; G116-F118 WeakPolarHBondContact O-CD1 3.43Å; G116-F118 PolarHBondContact O-N 3.08Å; F118-S120 VanDerWaalsContact C-N 3.26Å; F118-S120 PolarHBondContact O-N 3.38Å; F118-L123 HydrophobicContact CB-CD1 4.44Å; F118-L123 WeakPolarHBondContact O-CD1 3.29Å; F118-I141 HydrophobicContact CB-CD1 3.79Å; F118-I141 HydrophobicContact CB-CG2 4.02Å; F118-I141 HydrophobicContact CD1-CD1 4.05Å; F118-I141 HydrophobicContact CD1-CG2 4.08Å; F118-I141 HydrophobicContact CD2-CD1 3.03Å; F118-I141 HydrophobicContact CD2-CG1 4.49Å; F118-I141 HydrophobicContact CE1-CD1 4.38Å; F118-I141 HydrophobicContact CE2-CD1 3.43Å; F118-I141 VanDerWaalsContact CE2-CD1 3.43Å; F118-I141 HydrophobicContact CG-CD1 3.36Å; F118-I141 HydrophobicContact CG-CG2 4.07Å; F118-I141 HydrophobicContact CZ-CD1 4.11Å; F118-Y157 HydrophobicContact CE1-CE2 4.1Å; F118-Y157 AromaticContact CE2-CD2 3.89Å; F118-Y157 HydrophobicContact CE2-CD2 3.89Å; F118-Y157 AromaticContact CE2-CE2 3.59Å; F118-Y157 HydrophobicContact CE2-CE2 3.59Å; F118-Y157 HydrophobicContact CZ-CD2 4.09Å; F118-Y157 AromaticContact CZ-CE2 3.31Å; F118-Y157 HydrophobicContact CZ-CE2 3.31Å; F118-Y157 AromaticContact CZ-CZ 3.61Å; F118-N315 WeakPolarHBondContact CE1-ND2 3Å; F118-N315 WeakPolarHBondContact CE1-OD1 3.28Å; F118-N315 VanDerWaalsContact CZ-ND2 3.32Å; F118-N315 WeakPolarHBondContact CZ-ND2 2.78Å
119V72.2Confident78.7Confident7 Ų733.6 Ų33.64%0.04219%0.189CC..  trans-77.872.8-173.3-177.30000111.1F188 L308 Q312V119-F188 HydrophobicContact CG1-CE2 3.7Å; V119-F188 HydrophobicContact CG1-CZ 4.27Å; V119-F188 HydrophobicContact CG2-CE2 4.29Å; V119-L308 HydrophobicContact CG1-CB 4.42Å; V119-L308 HydrophobicContact CG1-CD2 3.52Å; V119-Q312 HydrophobicContact CB-CG 3.7Å; V119-Q312 HydrophobicContact CG1-CG 4.44Å; V119-Q312 HydrophobicContact CG2-CG 4.46Å; V119-Q312 PolarHBondContact O-NE2 2.97Å
120S76Confident78.4Confident60 Ų6035.9 Ų35.942%0.4220%0.197SC..  trans-93.4155.5176.7-178.50000111.8F118 A122 L123 L124F118-S120 VanDerWaalsContact C-N 3.26Å; F118-S120 PolarHBondContact O-N 3.38Å; S120-A122 VanDerWaalsContact C-N 3.26Å; S120-A122 PolarHBondContact O-N 3.26Å; S120-A122 PolarHBondContact OG-N 2.84Å; S120-L123 PolarHBondContact O-N 3.46Å; S120-L124 PolarHBondContact O-N 3.43Å
121R74.8Confident77.9Confident99 Ų9935.9 Ų35.937%0.37420%0.198SC..Hα-helixtrans-58.9-40.6169.8-178.6178.4-75.4-159.8-8.8111.1L123 L124 D125 D305 L308R121-L123 VanDerWaalsContact C-N 3.32Å; R121-L123 PolarHBondContact O-N 2.89Å; R121-L124 PolarHBondContact O-N 3.41Å; R121-L124 VanDerWaalsContact O-N 3.16Å; R121-D125 PolarHBondContact O-N 2.8Å; R121-D305 IonicContact CZ-OD1 2.76Å; R121-D305 IonicContact CZ-OD2 3.16Å; R121-D305 IonicContact NE-OD1 3.8Å; R121-D305 PolarHBondContact NE-OD1 2.86Å; R121-D305 VanDerWaalsContact NE-OD1 3.14Å; R121-D305 IonicContact NH2-OD1 3.91Å; R121-D305 PolarHBondContact NH2-OD1 3.33Å; R121-D305 IonicContact NH2-OD2 2.61Å; R121-D305 PolarHBondContact NH2-OD2 3.1Å; R121-L308 HydrophobicContact CB-CD1 4.33Å
122A80.6Confident77.5Confident60 Ų6039.9 Ų39.950%0.49622%0.216SC..Hα-helixtrans-60.8-40.6176.600000112.1S120 D125 S126S120-A122 VanDerWaalsContact C-N 3.26Å; S120-A122 PolarHBondContact O-N 3.26Å; S120-A122 PolarHBondContact OG-N 2.84Å; A122-D125 PolarHBondContact O-N 3.34Å; A122-S126 WeakPolarHBondContact O-CB 3.37Å; A122-S126 PolarHBondContact O-N 3.27Å; A122-S126 PolarHBondContact O-OG 3.5Å; A122-S126 VanDerWaalsContact O-OG 3.11Å
123L80.3Confident77.4Confident7 Ų743.3 Ų43.34%0.03725%0.245CC..Hα-helixtrans-63.1-44.2175.5-172.6159.6000110.6W109 F118 S120 R121 S126 Q127 F188W109-L123 HydrophobicContact CH2-CD1 4.41Å; W109-L123 HydrophobicContact CH2-CG 3.93Å; W109-L123 HydrophobicContact CZ2-CG 3.93Å; F118-L123 HydrophobicContact CB-CD1 4.44Å; F118-L123 WeakPolarHBondContact O-CD1 3.29Å; S120-L123 PolarHBondContact O-N 3.46Å; R121-L123 VanDerWaalsContact C-N 3.32Å; R121-L123 PolarHBondContact O-N 2.89Å; L123-S126 PolarHBondContact O-N 3.46Å; L123-Q127 HydrophobicContact CD2-CB 4.48Å; L123-Q127 WeakPolarHBondContact O-CB 3.38Å; L123-Q127 PolarHBondContact O-N 2.87Å; L123-F188 HydrophobicContact CD2-CE1 4.5Å
124L79.1Confident77.4Confident1 Ų145.5 Ų45.51%0.00526%0.256CS..Hα-helixtrans-62.9-43.5178.2-173.9122.5000111.9S120 R121 Q127 F128 L159 L163 M187 F188 M304 L308S120-L124 PolarHBondContact O-N 3.43Å; R121-L124 PolarHBondContact O-N 3.41Å; R121-L124 VanDerWaalsContact O-N 3.16Å; L124-Q127 PolarHBondContact O-N 3.49Å; L124-F128 VanDerWaalsContact O-CB 3.25Å; L124-F128 WeakPolarHBondContact O-CB 3.45Å; L124-F128 PolarHBondContact O-N 3.31Å; L124-L159 HydrophobicContact CD1-CD1 4.21Å; L124-L163 HydrophobicContact CD1-CD2 4.16Å; L124-M187 HydrophobicContact CD1-CE 3.59Å; L124-F188 HydrophobicContact CD1-CZ 4.27Å; L124-M304 HydrophobicContact CD2-SD 4.17Å; L124-L308 HydrophobicContact CD1-CD2 4.23Å
125D82Confident77.5Confident77 Ų7747 Ų4741%0.41227%0.266SS..Hα-helixtrans-65.5-45.1178.6-68.8-24.9000111.3R121 A122 F128 S129R121-D125 PolarHBondContact O-N 2.8Å; A122-D125 PolarHBondContact O-N 3.34Å; D125-F128 PolarHBondContact O-N 2.98Å; D125-S129 PolarHBondContact O-N 3.19Å
126S83.4Confident78.1Confident51 Ų5149.7 Ų49.736%0.35728%0.279SS..Hα-helixtrans-62-47.6174.8-66.40000111.6A122 L123 F128 S129 Y130A122-S126 WeakPolarHBondContact O-CB 3.37Å; A122-S126 PolarHBondContact O-N 3.27Å; A122-S126 PolarHBondContact O-OG 3.5Å; A122-S126 VanDerWaalsContact O-OG 3.11Å; L123-S126 PolarHBondContact O-N 3.46Å; S126-F128 VanDerWaalsContact C-N 3.3Å; S126-F128 PolarHBondContact O-N 3.3Å; S126-S129 WeakPolarHBondContact O-CB 3.28Å; S126-S129 PolarHBondContact O-N 2.98Å; S126-Y130 WeakPolarHBondContact O-CD2 3.45Å; S126-Y130 PolarHBondContact O-N 3.4Å
127Q82.6Confident79Confident1 Ų149.6 Ų49.61%0.00528%0.278CS..Hα-helixtrans-63.4-37.6178.4179.558.212.400111.7L123 L124 Y130 Q131 S137 V139 L159L123-Q127 HydrophobicContact CD2-CB 4.48Å; L123-Q127 WeakPolarHBondContact O-CB 3.38Å; L123-Q127 PolarHBondContact O-N 2.87Å; L124-Q127 PolarHBondContact O-N 3.49Å; Q127-Y130 PolarHBondContact O-N 2.92Å; Q127-Q131 VanDerWaalsContact NE2-OE1 3.11Å; Q127-Q131 WeakPolarHBondContact O-CB 3.49Å; Q127-Q131 PolarHBondContact O-N 2.84Å; Q127-S137 PolarHBondContact NE2-O 2.81Å; Q127-V139 HydrophobicContact CB-CG2 4.19Å; Q127-V139 HydrophobicContact CG-CG2 3.91Å; Q127-L159 HydrophobicContact CG-CB 4.33Å
128F81.4Confident79.9Confident42 Ų4247.6 Ų47.618%0.18426%0.264CS..Hα-helixtrans-63-43.9174.3175.9-102.3000111.7L124 D125 S126 Q131 H132 M164 C167 K168L124-F128 VanDerWaalsContact O-CB 3.25Å; L124-F128 WeakPolarHBondContact O-CB 3.45Å; L124-F128 PolarHBondContact O-N 3.31Å; D125-F128 PolarHBondContact O-N 2.98Å; S126-F128 VanDerWaalsContact C-N 3.3Å; S126-F128 PolarHBondContact O-N 3.3Å; F128-Q131 PolarHBondContact O-N 2.95Å; F128-H132 VanDerWaalsContact O-CB 3.24Å; F128-H132 WeakPolarHBondContact O-CB 3.24Å; F128-H132 PolarHBondContact O-N 2.82Å; F128-M164 HydrophobicContact CD2-CG 4.33Å; F128-M164 HydrophobicContact CE2-CG 4.02Å; F128-C167 HydrophobicContact CD1-CB 4.48Å; F128-C167 HydrophobicContact CD2-CB 3.35Å; F128-C167 HydrophobicContact CE1-CB 4.41Å; F128-C167 HydrophobicContact CE2-CB 3.25Å; F128-C167 HydrophobicContact CG-CB 3.99Å; F128-C167 HydrophobicContact CZ-CB 3.82Å; F128-K168 HydrophobicContact CE2-CG 3.91Å; F128-K168 HydrophobicContact CZ-CB 4.37Å; F128-K168 HydrophobicContact CZ-CG 3.71Å
129S83.5Confident80.8Confident74 Ų7447 Ų4752%0.51726%0.262SS..Hα-helixtrans-59.9-48.9175.9-171.60000111.6D125 S126 Q131 H132 A133D125-S129 PolarHBondContact O-N 3.19Å; S126-S129 WeakPolarHBondContact O-CB 3.28Å; S126-S129 PolarHBondContact O-N 2.98Å; S129-Q131 PolarHBondContact O-N 3.47Å; S129-H132 PolarHBondContact O-N 3.47Å; S129-A133 PolarHBondContact O-N 3.4Å; S129-A133 VanDerWaalsContact O-N 3.09Å
130Y83.1Confident81.6Confident57 Ų5746.7 Ų46.722%0.22426%0.26CS..Hα-helixtrans-65.1-41.2178.6-71-56.8000112.6H106 W109 S126 Q127 H132 A133 I134 S137H106-Y130 AromaticContact CE1-CD1 3.46Å; H106-Y130 VanDerWaalsContact CE1-CD1 3.46Å; H106-Y130 WeakPolarHBondContact CE1-CD1 2.99Å; H106-Y130 AromaticContact CE1-CE1 3.59Å; W109-Y130 AromaticContact CD1-CD2 3.5Å; W109-Y130 AromaticContact CD1-CE2 3.78Å; W109-Y130 HydrophobicContact CD2-CE2 4.37Å; W109-Y130 HydrophobicContact CG-CD2 4.24Å; W109-Y130 HydrophobicContact CG-CE2 4.06Å; W109-Y130 AromaticContact NE1-CD2 3.55Å; W109-Y130 AromaticContact NE1-CE2 3.95Å; S126-Y130 WeakPolarHBondContact O-CD2 3.45Å; S126-Y130 PolarHBondContact O-N 3.4Å; Q127-Y130 PolarHBondContact O-N 2.92Å; Y130-H132 VanDerWaalsContact C-N 3.3Å; Y130-H132 PolarHBondContact O-N 2.93Å; Y130-A133 PolarHBondContact O-N 3.36Å; Y130-I134 PolarHBondContact O-N 2.89Å; Y130-S137 WeakPolarHBondContact CB-OG 3.36Å
131Q81Confident82.2Confident4 Ų444.2 Ų44.22%0.01924%0.241CC..Hα-helixtrans-74.9-22.2180-149.9173.6-36.100112.9Q127 F128 S129 I134 L159 M164Q127-Q131 VanDerWaalsContact NE2-OE1 3.11Å; Q127-Q131 WeakPolarHBondContact O-CB 3.49Å; Q127-Q131 PolarHBondContact O-N 2.84Å; F128-Q131 PolarHBondContact O-N 2.95Å; S129-Q131 PolarHBondContact O-N 3.47Å; Q131-I134 CarbonylContact C-O 3.59Å; Q131-I134 VanDerWaalsContact CA-O 3.25Å; Q131-I134 WeakPolarHBondContact CA-O 3.23Å; Q131-I134 CarbonylContact O-C 3.5Å; Q131-L159 PolarHBondContact NE2-O 3.37Å; Q131-M164 HydrophobicContact CB-CE 4.17Å; Q131-M164 HydrophobicContact CG-CE 3.56Å
132H80Confident82.9Confident120 Ų12040 Ų4056%0.55623%0.225SC*.Hα-helixtrans-71.3-39.3169.2-174.387.4000111.7F128 S129 Y130 K168F128-H132 VanDerWaalsContact O-CB 3.24Å; F128-H132 WeakPolarHBondContact O-CB 3.24Å; F128-H132 PolarHBondContact O-N 2.82Å; S129-H132 PolarHBondContact O-N 3.47Å; Y130-H132 VanDerWaalsContact C-N 3.3Å; Y130-H132 PolarHBondContact O-N 2.93Å; H132-K168 WeakPolarHBondContact ND1-CE 3.48Å
133A81.1Confident83.2Confident79 Ų7937.2 Ų37.265%0.65320%0.203SC*.Hα-helixtrans-73.8-37.8175.900000112.2S129 Y130S129-A133 PolarHBondContact O-N 3.4Å; S129-A133 VanDerWaalsContact O-N 3.09Å; Y130-A133 PolarHBondContact O-N 3.36Å
134I79.5Confident83.3Confident53 Ų5337.3 Ų37.327%0.27220%0.203SC..  trans-140.6109.9-173.9-52.5-178.6000109.1H106 Y130 Q131 E136 S137H106-I134 HydrophobicContact CB-CD1 4.08Å; H106-I134 WeakPolarHBondContact O-CD1 3.46Å; Y130-I134 PolarHBondContact O-N 2.89Å; Q131-I134 CarbonylContact C-O 3.59Å; Q131-I134 VanDerWaalsContact CA-O 3.25Å; Q131-I134 WeakPolarHBondContact CA-O 3.23Å; Q131-I134 CarbonylContact O-C 3.5Å; I134-E136 PolarHBondContact O-N 2.61Å; I134-E136 VanDerWaalsContact O-N 3.08Å; I134-S137 WeakPolarHBondContact O-CB 3.49Å; I134-S137 PolarHBondContact O-N 2.71Å; I134-S137 VanDerWaalsContact O-N 3.1Å
135E75.6Confident83.3Confident120 Ų12038.5 Ų38.556%0.56121%0.21SC*.THydrogen-bonded Turntrans-61.1-25.4-173.6-175.3166.4-168.200114.3R158E135-R158 PolarHBondContact O-NH2 2.92Å
136E79.5Confident83Confident72 Ų7236 Ų3634%0.33620%0.195SC..THydrogen-bonded Turntrans-93.812.1-177.2-62.8168.714200113.2V26 V61 I134 V138V26-E136 HydrophobicContact CG2-CB 4.27Å; V26-E136 HydrophobicContact CG2-CG 4.12Å; V61-E136 WeakPolarHBondContact CG1-OE1 3.21Å; V61-E136 HydrophobicContact CG2-CB 4.23Å; V61-E136 VanDerWaalsContact CG2-CD 3.49Å; V61-E136 HydrophobicContact CG2-CG 4.43Å; V61-E136 WeakPolarHBondContact CG2-OE2 3.45Å; I134-E136 PolarHBondContact O-N 2.61Å; I134-E136 VanDerWaalsContact O-N 3.08Å; E136-V138 PolarHBondContact O-N 3.14Å
137S83.9Confident82.8Confident1 Ų135 Ų351%0.00719%0.186CC..  trans-62.2129.4-180-175.60000113V107 Q127 Y130 I134V107-S137 WeakPolarHBondContact O-CA 3.2Å; Q127-S137 PolarHBondContact NE2-O 2.81Å; Y130-S137 WeakPolarHBondContact CB-OG 3.36Å; I134-S137 WeakPolarHBondContact O-CB 3.49Å; I134-S137 PolarHBondContact O-N 2.71Å; I134-S137 VanDerWaalsContact O-N 3.1Å
138V87.5Confident82.5Confident1 Ų138 Ų381%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-119.6145.5177.5174.10000111.3I29 L66 V107 G108 W109 E136 A156I29-V138 HydrophobicContact CD1-CB 4.44Å; I29-V138 HydrophobicContact CD1-CG1 3.61Å; I29-V138 HydrophobicContact CD1-CG2 4.1Å; I29-V138 HydrophobicContact CG1-CG2 4.48Å; L66-V138 HydrophobicContact CD2-CB 4.17Å; L66-V138 HydrophobicContact CD2-CG2 3.7Å; V107-V138 PolarHBondContact O-N 2.94Å; G108-V138 VanDerWaalsContact CA-O 3.23Å; G108-V138 WeakPolarHBondContact CA-O 3.31Å; W109-V138 PolarHBondContact N-O 3.38Å; E136-V138 PolarHBondContact O-N 3.14Å; V138-A156 HydrophobicContact CG1-CB 4.03Å
139V89.1Confident82Confident2 Ų237.9 Ų37.91%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-100124167.5-1710000109.8W109 Q127 I141 A156 Y157W109-V139 HydrophobicContact CZ2-CG1 4.27Å; W109-V139 HydrophobicContact CZ2-CG2 4.24Å; W109-V139 WeakPolarHBondContact O-CA 3.24Å; Q127-V139 HydrophobicContact CB-CG2 4.19Å; Q127-V139 HydrophobicContact CG-CG2 3.91Å; V139-I141 HydrophobicContact CG1-CD1 4.38Å; V139-I141 HydrophobicContact CG1-CG1 3.89Å; V139-A156 WeakPolarHBondContact O-CA 3.45Å; V139-Y157 PolarHBondContact N-O 3.44Å; V139-Y157 PolarHBondContact O-N 2.88Å
140L89.9Confident81.1Confident0 Ų036 Ų360%021%0.205CC..EExtended strand (participates in β ladder)trans-95.6125.4166.6-70.1179.2000110.5I31 L57 I68 W109 Y110 Q111 L154 A156 I193I31-L140 HydrophobicContact CD1-CD1 3.8Å; I31-L140 HydrophobicContact CD1-CD2 3.89Å; L57-L140 HydrophobicContact CD1-CB 3.99Å; L57-L140 HydrophobicContact CD1-CD1 3.42Å; L57-L140 VanDerWaalsContact CD1-CD1 3.42Å; L57-L140 HydrophobicContact CD1-CG 3.54Å; L57-L140 HydrophobicContact CD2-CD1 3.8Å; L57-L140 HydrophobicContact CG-CD1 4.26Å; I68-L140 HydrophobicContact CD1-CD1 3.94Å; W109-L140 PolarHBondContact O-N 3.25Å; Y110-L140 CarbonylContact C-O 3.6Å; Y110-L140 WeakPolarHBondContact CA-O 3.23Å; Q111-L140 PolarHBondContact N-O 2.95Å; L140-L154 HydrophobicContact CD1-CD2 4.45Å; L140-L154 HydrophobicContact CD2-CD2 3.93Å; L140-L154 HydrophobicContact CD2-CG 4.44Å; L140-A156 HydrophobicContact CD2-CB 3.65Å; L140-I193 HydrophobicContact CD2-CD1 4.46Å
141I89.4Confident80.7Confident7 Ų735.1 Ų35.14%0.03621%0.207CC..EExtended strand (participates in β ladder)trans-110.8117.2179.6-52.3-170000108.3Q111 T113 F118 V139 K155 Y157Q111-I141 WeakPolarHBondContact O-CA 3.45Å; T113-I141 HydrophobicContact CG2-CG2 3.56Å; F118-I141 HydrophobicContact CB-CD1 3.79Å; F118-I141 HydrophobicContact CB-CG2 4.02Å; F118-I141 HydrophobicContact CD1-CD1 4.05Å; F118-I141 HydrophobicContact CD1-CG2 4.08Å; F118-I141 HydrophobicContact CD2-CD1 3.03Å; F118-I141 HydrophobicContact CD2-CG1 4.49Å; F118-I141 HydrophobicContact CE1-CD1 4.38Å; F118-I141 HydrophobicContact CE2-CD1 3.43Å; F118-I141 VanDerWaalsContact CE2-CD1 3.43Å; F118-I141 HydrophobicContact CG-CD1 3.36Å; F118-I141 HydrophobicContact CG-CG2 4.07Å; F118-I141 HydrophobicContact CZ-CD1 4.11Å; V139-I141 HydrophobicContact CG1-CD1 4.38Å; V139-I141 HydrophobicContact CG1-CG1 3.89Å; I141-K155 PolarHBondContact N-O 3.08Å; I141-K155 PolarHBondContact O-N 2.89Å; I141-Y157 HydrophobicContact CD1-CD2 3.45Å; I141-Y157 VanDerWaalsContact CD1-CD2 3.45Å; I141-Y157 HydrophobicContact CD1-CE2 3.84Å; I141-Y157 HydrophobicContact CG1-CD2 3.99Å; I141-Y157 HydrophobicContact CG1-CE2 4.46Å
142Y88.9Confident80.7Confident10 Ų1038.9 Ų38.94%0.03923%0.226CC..EExtended strand (participates in β ladder)trans-106121.8179.9175.8-117000110.2I39 I40 Y43 Q111 S112 T113 P144 T147 L152 L154I39-Y142 HydrophobicContact CG2-CD1 3.71Å; I39-Y142 HydrophobicContact CG2-CD2 4.47Å; I39-Y142 HydrophobicContact CG2-CE1 4.4Å; I39-Y142 HydrophobicContact CG2-CG 3.75Å; I40-Y142 HydrophobicContact CG1-CE2 4.2Å; Y43-Y142 HydrophobicContact CG-CE1 4.31Å; Q111-Y142 PolarHBondContact O-N 2.88Å; S112-Y142 CarbonylContact C-O 3.51Å; S112-Y142 VanDerWaalsContact CA-O 3.3Å; S112-Y142 WeakPolarHBondContact CA-O 3.29Å; T113-Y142 PolarHBondContact N-O 3.09Å; Y142-P144 HydrophobicContact CE1-CB 3.81Å; Y142-P144 WeakPolarHBondContact O-CD 3.31Å; Y142-T147 HydrophobicContact CE2-CG2 4.18Å; Y142-T147 WeakPolarHBondContact CE2-OG1 3.39Å; Y142-L152 HydrophobicContact CE2-CD1 4.12Å; Y142-L154 HydrophobicContact CD2-CD1 4.21Å
143D86.1Confident80.8Confident3 Ų333.9 Ų33.92%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-104.2103.6174-171.9-25.3000109.8T113 I145 K146 T147 S153T113-D143 HydrophobicContact CG2-CB 4.11Å; D143-I145 VanDerWaalsContact C-N 3.32Å; D143-I145 PolarHBondContact O-N 3.43Å; D143-I145 PolarHBondContact OD1-N 3.11Å; D143-K146 HydrophobicContact CB-CB 4.31Å; D143-K146 HydrophobicContact CB-CD 4.39Å; D143-K146 HydrophobicContact CB-CG 4.49Å; D143-K146 PolarHBondContact OD1-N 3.08Å; D143-K146 VanDerWaalsContact OD1-N 3.14Å; D143-K146 WeakPolarHBondContact OD2-CD 3.31Å; D143-K146 VanDerWaalsContact OD2-CE 3.29Å; D143-K146 WeakPolarHBondContact OD2-CE 3.31Å; D143-K146 WeakPolarHBondContact OD2-CG 3.44Å; D143-K146 IonicContact OD2-NZ 2.83Å; D143-T147 WeakPolarHBondContact O-CB 3.36Å; D143-T147 PolarHBondContact O-N 3.23Å; D143-T147 VanDerWaalsContact O-N 3.15Å; D143-T147 PolarHBondContact O-OG1 3.42Å; D143-S153 PolarHBondContact N-O 2.91Å; D143-S153 VanDerWaalsContact N-O 3.12Å
144P81.7Confident81Confident8 Ų831.3 Ų31.35%0.05218%0.18CC..Hα-helixtrans-71.5-27.9-177.927.1-31.9000112.7Y43 T113 Y142 T147 A148Y43-P144 HydrophobicContact CD1-CB 3.43Å; Y43-P144 VanDerWaalsContact CD1-CB 3.43Å; Y43-P144 HydrophobicContact CD1-CG 4Å; Y43-P144 HydrophobicContact CD2-CB 4.25Å; Y43-P144 HydrophobicContact CD2-CG 3.95Å; Y43-P144 HydrophobicContact CE1-CB 3.17Å; Y43-P144 HydrophobicContact CE1-CG 3.53Å; Y43-P144 HydrophobicContact CE2-CB 4.07Å; Y43-P144 HydrophobicContact CE2-CG 3.5Å; Y43-P144 VanDerWaalsContact CE2-CG 3.5Å; Y43-P144 HydrophobicContact CG-CB 3.96Å; Y43-P144 HydrophobicContact CG-CG 4.18Å; T113-P144 WeakPolarHBondContact O-CD 3.05Å; Y142-P144 HydrophobicContact CE1-CB 3.81Å; Y142-P144 WeakPolarHBondContact O-CD 3.31Å; P144-T147 PolarHBondContact O-N 2.99Å; P144-A148 WeakPolarHBondContact O-CB 3.46Å; P144-A148 PolarHBondContact O-N 2.99Å
145I79.1Confident81.3Confident27 Ų2729.8 Ų29.814%0.13817%0.172CC..Hα-helixtrans-74.2-41.9-175.5-55.1176.1000109.9Y114 Y115 D143 T147 Q149Y114-I145 HydrophobicContact CD2-CD1 3.6Å; Y114-I145 HydrophobicContact CE1-CD1 4.49Å; Y114-I145 HydrophobicContact CE2-CD1 3.42Å; Y114-I145 VanDerWaalsContact CE2-CD1 3.42Å; Y114-I145 HydrophobicContact CE2-CG1 4.46Å; Y114-I145 HydrophobicContact CG-CD1 4.21Å; Y115-I145 HydrophobicContact CD2-CD1 3.4Å; Y115-I145 HydrophobicContact CE1-CG2 4.46Å; Y115-I145 HydrophobicContact CE2-CD1 3.19Å; Y115-I145 HydrophobicContact CG-CD1 4.19Å; D143-I145 VanDerWaalsContact C-N 3.32Å; D143-I145 PolarHBondContact O-N 3.43Å; D143-I145 PolarHBondContact OD1-N 3.11Å; I145-T147 VanDerWaalsContact C-N 3.33Å; I145-Q149 WeakPolarHBondContact O-CG 3.49Å; I145-Q149 PolarHBondContact O-N 3Å
146K76.4Confident81.9Confident24 Ų2424.1 Ų24.110%0.10415%0.145CC..Hα-helixtrans-67.1-37.2171.3-71-176.6-167.9171.10111.9D143 A148 Q149 S151 N319D143-K146 HydrophobicContact CB-CB 4.31Å; D143-K146 HydrophobicContact CB-CD 4.39Å; D143-K146 HydrophobicContact CB-CG 4.49Å; D143-K146 PolarHBondContact OD1-N 3.08Å; D143-K146 VanDerWaalsContact OD1-N 3.14Å; D143-K146 WeakPolarHBondContact OD2-CD 3.31Å; D143-K146 VanDerWaalsContact OD2-CE 3.29Å; D143-K146 WeakPolarHBondContact OD2-CE 3.31Å; D143-K146 WeakPolarHBondContact OD2-CG 3.44Å; D143-K146 IonicContact OD2-NZ 2.83Å; K146-A148 VanDerWaalsContact C-N 3.34Å; K146-A148 PolarHBondContact O-N 3.28Å; K146-Q149 WeakPolarHBondContact O-CB 3.45Å; K146-Q149 PolarHBondContact O-N 2.72Å; K146-S151 CarbonylContact C-O 3.49Å; K146-N319 PolarHBondContact NZ-ND2 3.5Å; K146-N319 VanDerWaalsContact NZ-ND2 3.16Å; K146-N319 PolarHBondContact NZ-OD1 3.17Å
147T80.1Confident82.2Confident29 Ų2921.4 Ų21.418%0.17813%0.132CC..Hα-helixtrans-63.9-40.3176.9-56.50000111.5Y142 D143 P144 I145 Q149 G150 S151 L152 S153Y142-T147 HydrophobicContact CE2-CG2 4.18Å; Y142-T147 WeakPolarHBondContact CE2-OG1 3.39Å; D143-T147 WeakPolarHBondContact O-CB 3.36Å; D143-T147 PolarHBondContact O-N 3.23Å; D143-T147 VanDerWaalsContact O-N 3.15Å; D143-T147 PolarHBondContact O-OG1 3.42Å; P144-T147 PolarHBondContact O-N 2.99Å; I145-T147 VanDerWaalsContact C-N 3.33Å; T147-Q149 PolarHBondContact O-N 2.93Å; T147-G150 PolarHBondContact O-N 2.98Å; T147-S151 VanDerWaalsContact CA-O 3.29Å; T147-S151 WeakPolarHBondContact CA-O 3.46Å; T147-L152 HydrophobicContact CG2-CD1 3.97Å; T147-S153 PolarHBondContact OG1-N 2.99Å
148A75.7Confident82.2Confident66 Ų6622.3 Ų22.355%0.54514%0.135SC..THydrogen-bonded Turntrans-66.5-15.117300000114P144 K146 G150P144-A148 WeakPolarHBondContact O-CB 3.46Å; P144-A148 PolarHBondContact O-N 2.99Å; K146-A148 VanDerWaalsContact C-N 3.34Å; K146-A148 PolarHBondContact O-N 3.28Å; A148-G150 VanDerWaalsContact C-N 3.3Å
149Q70Confident81.9Confident39 Ų3922.3 Ų22.318%0.18214%0.135CC..THydrogen-bonded Turntrans-90.44.5173.5-68.1171.41900112.9I145 K146 T147 H228I145-Q149 WeakPolarHBondContact O-CG 3.49Å; I145-Q149 PolarHBondContact O-N 3Å; K146-Q149 WeakPolarHBondContact O-CB 3.45Å; K146-Q149 PolarHBondContact O-N 2.72Å; T147-Q149 PolarHBondContact O-N 2.93Å; Q149-H228 VanDerWaalsContact NE2-CB 3.31Å; Q149-H228 PolarHBondContact NE2-ND1 3.25Å
150G65.8Low81.4Confident35 Ų3523.2 Ų23.236%0.36114%0.14SC..THydrogen-bonded Turntrans106.5-10.3169.600000115.4T147 A148T147-G150 PolarHBondContact O-N 2.98Å; A148-G150 VanDerWaalsContact C-N 3.3Å
151S74.2Confident80.6Confident38 Ų3826.8 Ų26.827%0.26616%0.164SC..SBendtrans-111119.2174.864.20000111.4K146 T147 S153K146-S151 CarbonylContact C-O 3.49Å; T147-S151 VanDerWaalsContact CA-O 3.29Å; T147-S151 WeakPolarHBondContact CA-O 3.46Å; S151-S153 PolarHBondContact O-N 3.12Å
152L81.1Confident79.5Confident82 Ų8232.6 Ų32.643%0.42919%0.189SC..  trans-59.8110.6173.617964.6000110.1V36 Y142 T147 I195V36-L152 HydrophobicContact CG1-CD1 4.28Å; V36-L152 HydrophobicContact CG1-CD2 4.2Å; Y142-L152 HydrophobicContact CE2-CD1 4.12Å; T147-L152 HydrophobicContact CG2-CD1 3.97Å; L152-I195 HydrophobicContact CD2-CD1 4.08Å
153S81.5Confident78.5Confident16 Ų1632.8 Ų32.811%0.11219%0.191CC..EExtended strand (participates in β ladder)trans-103.188.1178.4177.80000109.5D143 T147 S151D143-S153 PolarHBondContact N-O 2.91Å; D143-S153 VanDerWaalsContact N-O 3.12Å; T147-S153 PolarHBondContact OG1-N 2.99Å; S151-S153 PolarHBondContact O-N 3.12Å
154L85.8Confident77.6Confident25 Ų2533.4 Ų33.413%0.13119%0.193CC..EExtended strand (participates in β ladder)trans-112.8118.9169.3-160.195.7000108I31 L140 Y142 I193I31-L154 HydrophobicContact CD1-CD2 3.4Å; I31-L154 VanDerWaalsContact CD1-CD2 3.4Å; L140-L154 HydrophobicContact CD1-CD2 4.45Å; L140-L154 HydrophobicContact CD2-CD2 3.93Å; L140-L154 HydrophobicContact CD2-CG 4.44Å; Y142-L154 HydrophobicContact CD2-CD1 4.21Å; L154-I193 HydrophobicContact CB-CD1 4.26Å; L154-I193 HydrophobicContact CD2-CD1 3.75Å; L154-I193 HydrophobicContact CD2-CG1 4.42Å; L154-I193 HydrophobicContact CD2-CG2 4.16Å; L154-I193 HydrophobicContact CG-CD1 4.2Å; L154-I193 WeakPolarHBondContact O-CD1 3.26Å
155K86.4Confident76.9Confident21 Ų2139.1 Ų39.19%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-115.9133.2175.9-60.9-165.3179.3-169.50109.3I141 Y157 N319I141-K155 PolarHBondContact N-O 3.08Å; I141-K155 PolarHBondContact O-N 2.89Å; K155-Y157 HydrophobicContact CB-CD2 4.23Å; K155-Y157 HydrophobicContact CB-CE2 3.55Å; K155-Y157 HydrophobicContact CD-CE2 4.21Å; K155-Y157 VanDerWaalsContact CD-OH 3.23Å; K155-Y157 WeakPolarHBondContact CD-OH 3.49Å; K155-N319 PolarHBondContact NZ-OD1 3.14Å
156A88Confident76.3Confident0 Ų038.9 Ų38.90%022%0.218CC..EExtended strand (participates in β ladder)trans-106.9122.3175.700000109.4I29 V138 V139 L140 E190 V191 I193I29-A156 HydrophobicContact CD1-CB 3.29Å; V138-A156 HydrophobicContact CG1-CB 4.03Å; V139-A156 WeakPolarHBondContact O-CA 3.45Å; L140-A156 HydrophobicContact CD2-CB 3.65Å; A156-E190 WeakPolarHBondContact O-CA 3.27Å; A156-V191 PolarHBondContact O-N 3.18Å; A156-I193 HydrophobicContact CB-CD1 3.77Å; A156-I193 HydrophobicContact CB-CG1 3.74Å
157Y86.3Confident75.5Confident16 Ų1638.2 Ų38.26%0.06322%0.217CC..EExtended strand (participates in β ladder)trans-116.6141178.9-68-72.2000111F118 V139 I141 K155 F188 E190 N315F118-Y157 HydrophobicContact CE1-CE2 4.1Å; F118-Y157 AromaticContact CE2-CD2 3.89Å; F118-Y157 HydrophobicContact CE2-CD2 3.89Å; F118-Y157 AromaticContact CE2-CE2 3.59Å; F118-Y157 HydrophobicContact CE2-CE2 3.59Å; F118-Y157 HydrophobicContact CZ-CD2 4.09Å; F118-Y157 AromaticContact CZ-CE2 3.31Å; F118-Y157 HydrophobicContact CZ-CE2 3.31Å; F118-Y157 AromaticContact CZ-CZ 3.61Å; V139-Y157 PolarHBondContact N-O 3.44Å; V139-Y157 PolarHBondContact O-N 2.88Å; I141-Y157 HydrophobicContact CD1-CD2 3.45Å; I141-Y157 VanDerWaalsContact CD1-CD2 3.45Å; I141-Y157 HydrophobicContact CD1-CE2 3.84Å; I141-Y157 HydrophobicContact CG1-CD2 3.99Å; I141-Y157 HydrophobicContact CG1-CE2 4.46Å; K155-Y157 HydrophobicContact CB-CD2 4.23Å; K155-Y157 HydrophobicContact CB-CE2 3.55Å; K155-Y157 HydrophobicContact CD-CE2 4.21Å; K155-Y157 VanDerWaalsContact CD-OH 3.23Å; K155-Y157 WeakPolarHBondContact CD-OH 3.49Å; Y157-F188 HydrophobicContact CD1-CB 3.87Å; Y157-F188 HydrophobicContact CG-CB 4.46Å; Y157-E190 HydrophobicContact CD1-CB 4.23Å; Y157-E190 HydrophobicContact CE1-CB 3.98Å; Y157-E190 HydrophobicContact CE1-CG 4.25Å; Y157-N315 PolarHBondContact OH-ND2 2.97Å
158R84.1Confident74.7Confident20 Ų2042.1 Ų42.18%0.07523%0.231CC..EExtended strand (participates in β ladder)trans-123144.2170.2-171.6177.2-179.8-169.7-1.1109.7E135 F188 E189 V191E135-R158 PolarHBondContact O-NH2 2.92Å; R158-F188 WeakPolarHBondContact O-CA 3.42Å; R158-E189 PolarHBondContact N-O 3.43Å; R158-E189 PolarHBondContact O-N 3.37Å; R158-V191 HydrophobicContact CB-CG2 4.16Å
159L80.8Confident74Confident0 Ų045.4 Ų45.40%024%0.235CC..EExtended strand (participates in β ladder)trans-78.9133174.4-160.673.7000110.1L124 Q127 Q131 L163 F188L124-L159 HydrophobicContact CD1-CD1 4.21Å; Q127-L159 HydrophobicContact CG-CB 4.33Å; Q131-L159 PolarHBondContact NE2-O 3.37Å; L159-L163 HydrophobicContact CD1-CB 4.46Å; L159-L163 HydrophobicContact CD1-CD1 4.34Å; L159-L163 HydrophobicContact CD1-CD2 4.08Å; L159-L163 HydrophobicContact CD2-CB 4.39Å; L159-L163 HydrophobicContact CD2-CD2 4.04Å; L159-L163 HydrophobicContact CG-CB 4.15Å; L159-L163 HydrophobicContact CG-CD2 4.31Å; L159-F188 HydrophobicContact CD1-CD1 4.17Å; L159-F188 HydrophobicContact CD1-CE1 3.82Å; L159-F188 HydrophobicContact CD1-CZ 4.37Å
160T78.9Confident73.6Confident21 Ų2151.5 Ų51.513%0.12926%0.261CS..  trans-62.3136.8177.1-52.70000110.7K162 L163 M164 N186 M187T160-K162 HydrophobicContact CG2-CB 4.04Å; T160-K162 HydrophobicContact CG2-CD 4.43Å; T160-K162 HydrophobicContact CG2-CG 4.19Å; T160-K162 PolarHBondContact O-N 2.98Å; T160-K162 VanDerWaalsContact O-N 3.12Å; T160-L163 WeakPolarHBondContact O-CB 3.5Å; T160-L163 PolarHBondContact O-N 3.21Å; T160-M164 PolarHBondContact O-N 3.44Å; T160-N186 WeakPolarHBondContact CB-O 3.47Å; T160-N186 PolarHBondContact OG1-O 2.99Å; T160-M187 PolarHBondContact N-O 3.36Å; T160-M187 PolarHBondContact OG1-O 3.12Å
161P71.5Confident72.9Confident76 Ų7653.5 Ų53.549%0.49426%0.263SS..Hα-helixtrans-57.4-31179.719.5-31.7000113.3L163 M164 E165P161-L163 VanDerWaalsContact C-N 3.25Å; P161-L163 PolarHBondContact O-N 2.92Å; P161-M164 VanDerWaalsContact O-CB 3.3Å; P161-M164 WeakPolarHBondContact O-CB 3.47Å; P161-M164 PolarHBondContact O-N 3.03Å; P161-M164 VanDerWaalsContact O-N 3.09Å; P161-E165 PolarHBondContact O-N 3.22Å; P161-E165 VanDerWaalsContact O-N 3.08Å
162K67.4Low72Confident129 Ų12956 Ų5656%0.56127%0.269SS*.Hα-helixtrans-58.8-34.6173.2-63.4-179.6-179.7175.80113.2T160 I166T160-K162 HydrophobicContact CG2-CB 4.04Å; T160-K162 HydrophobicContact CG2-CD 4.43Å; T160-K162 HydrophobicContact CG2-CG 4.19Å; T160-K162 PolarHBondContact O-N 2.98Å; T160-K162 VanDerWaalsContact O-N 3.12Å; K162-I166 WeakPolarHBondContact O-CD1 3.38Å; K162-I166 WeakPolarHBondContact O-CG1 3.47Å
163L66.9Low70.6Confident14 Ų1455.7 Ų55.77%0.07327%0.271CS..Hα-helixtrans-80.5-31178-149.3150.1000110.6L124 L159 T160 P161 E165 I166 C167 V182 M187L124-L163 HydrophobicContact CD1-CD2 4.16Å; L159-L163 HydrophobicContact CD1-CB 4.46Å; L159-L163 HydrophobicContact CD1-CD1 4.34Å; L159-L163 HydrophobicContact CD1-CD2 4.08Å; L159-L163 HydrophobicContact CD2-CB 4.39Å; L159-L163 HydrophobicContact CD2-CD2 4.04Å; L159-L163 HydrophobicContact CG-CB 4.15Å; L159-L163 HydrophobicContact CG-CD2 4.31Å; T160-L163 WeakPolarHBondContact O-CB 3.5Å; T160-L163 PolarHBondContact O-N 3.21Å; P161-L163 VanDerWaalsContact C-N 3.25Å; P161-L163 PolarHBondContact O-N 2.92Å; L163-E165 VanDerWaalsContact C-N 3.35Å; L163-E165 PolarHBondContact O-N 3.07Å; L163-I166 PolarHBondContact O-N 3.05Å; L163-C167 WeakPolarHBondContact O-CB 3.39Å; L163-C167 PolarHBondContact O-N 3.06Å; L163-V182 HydrophobicContact CD1-CG1 4.13Å; L163-M187 HydrophobicContact CD1-CB 3.91Å; L163-M187 HydrophobicContact CD1-CE 3.89Å; L163-M187 HydrophobicContact CD1-CG 3.53Å; L163-M187 HydrophobicContact CD1-SD 4.34Å
164M67.2Low69.2Low15 Ų1556.7 Ų56.77%0.07428%0.277CS..Hα-helixtrans-61.9-40.6173-165.5-159-6800112F128 Q131 T160 P161 K168F128-M164 HydrophobicContact CD2-CG 4.33Å; F128-M164 HydrophobicContact CE2-CG 4.02Å; Q131-M164 HydrophobicContact CB-CE 4.17Å; Q131-M164 HydrophobicContact CG-CE 3.56Å; T160-M164 PolarHBondContact O-N 3.44Å; P161-M164 VanDerWaalsContact O-CB 3.3Å; P161-M164 WeakPolarHBondContact O-CB 3.47Å; P161-M164 PolarHBondContact O-N 3.03Å; P161-M164 VanDerWaalsContact O-N 3.09Å; M164-K168 HydrophobicContact CG-CD 4.41Å; M164-K168 WeakPolarHBondContact O-CB 3.39Å; M164-K168 VanDerWaalsContact O-CG 3.28Å; M164-K168 WeakPolarHBondContact O-CG 3.44Å; M164-K168 PolarHBondContact O-N 3.44Å; M164-K168 PolarHBondContact SD-NZ 3.17Å
165E68.3Low67.6Low128 Ų12862 Ų6260%0.59830%0.301SS*.Hα-helixtrans-63-44.4175.4-70.8179.3167.200111.8P161 L163 C167 K168 E169P161-E165 PolarHBondContact O-N 3.22Å; P161-E165 VanDerWaalsContact O-N 3.08Å; L163-E165 VanDerWaalsContact C-N 3.35Å; L163-E165 PolarHBondContact O-N 3.07Å; E165-C167 PolarHBondContact O-N 2.87Å; E165-K168 WeakPolarHBondContact O-CB 3.38Å; E165-K168 PolarHBondContact O-N 3.24Å; E165-E169 WeakPolarHBondContact O-CG 3.41Å; E165-E169 PolarHBondContact O-N 3.25Å
166I66.4Low66.1Low23 Ų2361.9 Ų61.912%0.11831%0.306CS..Hα-helixtrans-65.3-41179.1-61.7164.7000111.6K162 L163 E169 K170 A180 V182K162-I166 WeakPolarHBondContact O-CD1 3.38Å; K162-I166 WeakPolarHBondContact O-CG1 3.47Å; L163-I166 PolarHBondContact O-N 3.05Å; I166-E169 PolarHBondContact O-N 2.98Å; I166-K170 PolarHBondContact O-N 2.91Å; I166-A180 HydrophobicContact CD1-CB 3.41Å; I166-A180 VanDerWaalsContact CD1-CB 3.41Å; I166-A180 HydrophobicContact CG1-CB 4.23Å; I166-V182 HydrophobicContact CD1-CG2 3.77Å
167C59.2Low64.6Low10 Ų1063.9 Ų63.97%0.06832%0.316CS..Hα-helixtrans-69.5-33.1176-82.80000112.3F128 L163 E165 E169 K170F128-C167 HydrophobicContact CD1-CB 4.48Å; F128-C167 HydrophobicContact CD2-CB 3.35Å; F128-C167 HydrophobicContact CE1-CB 4.41Å; F128-C167 HydrophobicContact CE2-CB 3.25Å; F128-C167 HydrophobicContact CG-CB 3.99Å; F128-C167 HydrophobicContact CZ-CB 3.82Å; L163-C167 WeakPolarHBondContact O-CB 3.39Å; L163-C167 PolarHBondContact O-N 3.06Å; E165-C167 PolarHBondContact O-N 2.87Å; C167-E169 VanDerWaalsContact C-N 3.34Å; C167-K170 PolarHBondContact O-N 3.26Å
168K62.8Low63.2Low111 Ų11170.7 Ų70.748%0.48335%0.346SS..Hα-helixtrans-64.5-38.4172-79.8172.8178.9172.40111.7F128 H132 M164 E165 K170F128-K168 HydrophobicContact CE2-CG 3.91Å; F128-K168 HydrophobicContact CZ-CB 4.37Å; F128-K168 HydrophobicContact CZ-CG 3.71Å; H132-K168 WeakPolarHBondContact ND1-CE 3.48Å; M164-K168 HydrophobicContact CG-CD 4.41Å; M164-K168 WeakPolarHBondContact O-CB 3.39Å; M164-K168 VanDerWaalsContact O-CG 3.28Å; M164-K168 WeakPolarHBondContact O-CG 3.44Å; M164-K168 PolarHBondContact O-N 3.44Å; M164-K168 PolarHBondContact SD-NZ 3.17Å; E165-K168 WeakPolarHBondContact O-CB 3.38Å; E165-K168 PolarHBondContact O-N 3.24Å; K168-K170 VanDerWaalsContact C-N 3.26Å; K168-K170 PolarHBondContact O-N 3.32Å
169E61.5Low61.9Low134 Ų13478.1 Ų78.163%0.62638%0.379SS*.Hα-helixtrans-75.3-11.6178.2-70.1-179165.100113.3E165 I166 C167 D171E165-E169 WeakPolarHBondContact O-CG 3.41Å; E165-E169 PolarHBondContact O-N 3.25Å; I166-E169 PolarHBondContact O-N 2.98Å; C167-E169 VanDerWaalsContact C-N 3.34Å; E169-D171 HydrophobicContact CB-CB 4.36Å; E169-D171 PolarHBondContact O-N 3.47Å
170K60.7Low60.4Low168 Ų16880 Ų8073%0.7339%0.394SS*.THydrogen-bonded Turntrans52.720.3-173.4-66.4-173.6176.8-1780113.7I166 C167 K168 F172I166-K170 PolarHBondContact O-N 2.91Å; C167-K170 PolarHBondContact O-N 3.26Å; K168-K170 VanDerWaalsContact C-N 3.26Å; K168-K170 PolarHBondContact O-N 3.32Å; K170-F172 VanDerWaalsContact C-N 3.31Å; K170-F172 PolarHBondContact O-N 2.86Å
171D52.7Low59.3Low77 Ų7783.7 Ų83.741%0.41242%0.421SS..  trans-8673.1-179.9-87.6-23000110.1E169 T173E169-D171 HydrophobicContact CB-CB 4.36Å; E169-D171 PolarHBondContact O-N 3.47Å; D171-T173 PolarHBondContact O-N 3.28Å
172F55.1Low58.7Low89 Ų8980.8 Ų80.839%0.3940%0.402SS..  trans-72.113.3167.5-61-64.9000113K170 M304K170-F172 VanDerWaalsContact C-N 3.31Å; K170-F172 PolarHBondContact O-N 2.86Å; F172-M304 HydrophobicContact CD1-CB 4.44Å; F172-M304 HydrophobicContact CD1-CE 3.67Å; F172-M304 HydrophobicContact CD1-SD 3.51Å; F172-M304 VanDerWaalsContact CD1-SD 3.51Å; F172-M304 HydrophobicContact CE1-CE 3.49Å; F172-M304 VanDerWaalsContact CE1-CE 3.49Å; F172-M304 HydrophobicContact CE1-SD 3.2Å; F172-M304 WeakPolarHBondContact CE1-SD 3.44Å; F172-M304 HydrophobicContact CG-CE 4.34Å; F172-M304 HydrophobicContact CZ-CE 3.98Å; F172-M304 HydrophobicContact CZ-SD 4.14Å
173T51.2Low58.2Low77 Ų7776.1 Ų76.147%0.47239%0.39SS..SBendtrans-75.7142.5-179.23.30000110.8D171 E175 G176 L177D171-T173 PolarHBondContact O-N 3.28Å; T173-E175 PolarHBondContact O-N 3.18Å; T173-G176 PolarHBondContact O-N 3.09Å; T173-L177 PolarHBondContact O-N 2.93Å
174T51.7Low57.7Low36 Ų3679.4 Ų79.422%0.22140%0.404CS..Hα-helixtrans-56.8-19.5-17752.30000114.2K178 A300 R303T174-K178 WeakPolarHBondContact O-CB 3.48Å; T174-K178 PolarHBondContact O-N 3.07Å; T174-A300 HydrophobicContact CG2-CB 3.59Å; T174-R303 HydrophobicContact CG2-CG 4.08Å
175E52.1Low57.5Low138 Ų13885.2 Ų85.265%0.64543%0.431SS*.Hα-helixtrans-84.1-35177.7-59.3-167.9166.400113T173 K178 K179T173-E175 PolarHBondContact O-N 3.18Å; E175-K178 PolarHBondContact O-N 3.42Å; E175-K179 WeakPolarHBondContact O-CB 3.43Å; E175-K179 VanDerWaalsContact O-CG 3.27Å; E175-K179 WeakPolarHBondContact O-CG 3.42Å; E175-K179 PolarHBondContact O-N 3.11Å
176G55Low57.2Low18 Ų1883.4 Ų83.419%0.18643%0.425CS..Hα-helixtrans-65.9-44.3173.600000111.3T173 K178 K179 A180T173-G176 PolarHBondContact O-N 3.09Å; G176-K178 VanDerWaalsContact C-N 3.35Å; G176-K178 PolarHBondContact O-N 2.78Å; G176-K179 PolarHBondContact O-N 3.4Å; G176-A180 WeakPolarHBondContact O-CB 3.46Å; G176-A180 PolarHBondContact O-N 3.16Å
177L56.8Low57.3Low42 Ų4282.6 Ų82.622%0.2242%0.421CS..Hα-helixtrans-65.9-35.1176.2-166.165.2000112.9T173 S181 V182 R303 L307T173-L177 PolarHBondContact O-N 2.93Å; L177-S181 PolarHBondContact O-N 3.36Å; L177-V182 HydrophobicContact CD1-CB 4.25Å; L177-R303 HydrophobicContact CD2-CB 3.76Å; L177-L307 HydrophobicContact CD1-CD2 4.19Å
178K57.4Low58.1Low158 Ų15883.9 Ų83.969%0.68743%0.425SS*.Hα-helixtrans-70.1-41.4175-115.3-175.9173.9-173.40112.3T174 E175 G176 A180T174-K178 WeakPolarHBondContact O-CB 3.48Å; T174-K178 PolarHBondContact O-N 3.07Å; E175-K178 PolarHBondContact O-N 3.42Å; G176-K178 VanDerWaalsContact C-N 3.35Å; G176-K178 PolarHBondContact O-N 2.78Å; K178-A180 VanDerWaalsContact C-N 3.32Å
179K55.3Low59Low177 Ų17783.4 Ų83.477%0.7743%0.425SS*.Hα-helixtrans-65.2-37177.7-77.9175.8-179.2177.30111.7E175 G176E175-K179 WeakPolarHBondContact O-CB 3.43Å; E175-K179 VanDerWaalsContact O-CG 3.27Å; E175-K179 WeakPolarHBondContact O-CG 3.42Å; E175-K179 PolarHBondContact O-N 3.11Å; G176-K179 PolarHBondContact O-N 3.4Å
180A51.2Low60Low39 Ų3982 Ų8232%0.32242%0.418SS..Hα-helixtrans-84.3-12.8-178.100000114.9I166 G176 K178 V182I166-A180 HydrophobicContact CD1-CB 3.41Å; I166-A180 VanDerWaalsContact CD1-CB 3.41Å; I166-A180 HydrophobicContact CG1-CB 4.23Å; G176-A180 WeakPolarHBondContact O-CB 3.46Å; G176-A180 PolarHBondContact O-N 3.16Å; K178-A180 VanDerWaalsContact C-N 3.32Å; A180-V182 HydrophobicContact CB-CG2 3.81Å; A180-V182 PolarHBondContact O-N 3.21Å
181S54.3Low61.2Low98 Ų9874.2 Ų74.269%0.68539%0.385SS*.THydrogen-bonded Turntrans46.338.8-179.2-66.60000113.3L177 G183L177-S181 PolarHBondContact O-N 3.36Å; S181-G183 PolarHBondContact O-N 3.43Å; S181-G183 VanDerWaalsContact O-N 3.15Å
182V59.8Low62.9Low16 Ų1674.3 Ų74.310%0.09739%0.39CS..  trans-76.2104.8176.7-177.70000107.7L163 I166 L177 A180 M187L163-V182 HydrophobicContact CD1-CG1 4.13Å; I166-V182 HydrophobicContact CD1-CG2 3.77Å; L177-V182 HydrophobicContact CD1-CB 4.25Å; A180-V182 HydrophobicContact CB-CG2 3.81Å; A180-V182 PolarHBondContact O-N 3.21Å; V182-M187 HydrophobicContact CG1-CG 4.08Å
183G56.7Low64.5Low30 Ų3072.2 Ų72.231%0.30938%0.382SS..  trans-76.7163.516700000111.3S181 E185 N186S181-G183 PolarHBondContact O-N 3.43Å; S181-G183 VanDerWaalsContact O-N 3.15Å; G183-E185 PolarHBondContact O-N 2.83Å; G183-E185 VanDerWaalsContact O-N 3.14Å; G183-N186 PolarHBondContact O-N 3.19Å; G183-N186 VanDerWaalsContact O-N 3.08Å
184F56.1Low66.3Low83 Ų8371.2 Ų71.236%0.36438%0.376SS..G310 helixtrans-58.1-25176.160.6-87.4000112.6L307 N314F184-L307 HydrophobicContact CB-CD1 3.99Å; F184-N314 HydrophobicContact CD2-CB 4.25Å; F184-N314 HydrophobicContact CE2-CB 4.34Å
185E62.7Low68Low137 Ų13773.6 Ų73.664%0.6439%0.386SS*.G310 helixtrans-75.5-28.1178.7-58-178.2161.100113.1G183G183-E185 PolarHBondContact O-N 2.83Å; G183-E185 VanDerWaalsContact O-N 3.14Å
186N63.3Low69.6Low90 Ų9072.5 Ų72.548%0.48138%0.379SS..G310 helixtrans-100.110.9-175.5-68.5-16.9000112.9T160 G183T160-N186 WeakPolarHBondContact CB-O 3.47Å; T160-N186 PolarHBondContact OG1-O 2.99Å; G183-N186 PolarHBondContact O-N 3.19Å; G183-N186 VanDerWaalsContact O-N 3.08Å
187M68.8Low71.1Confident6 Ų674.2 Ų74.23%0.0338%0.384CS..SBendtrans-74.8-47.3175.5-78.6-165.256.900111.9L124 T160 L163 V182 L307 L308L124-M187 HydrophobicContact CD1-CE 3.59Å; T160-M187 PolarHBondContact N-O 3.36Å; T160-M187 PolarHBondContact OG1-O 3.12Å; L163-M187 HydrophobicContact CD1-CB 3.91Å; L163-M187 HydrophobicContact CD1-CE 3.89Å; L163-M187 HydrophobicContact CD1-CG 3.53Å; L163-M187 HydrophobicContact CD1-SD 4.34Å; V182-M187 HydrophobicContact CG1-CG 4.08Å; M187-L307 HydrophobicContact CG-CD2 4.02Å; M187-L307 HydrophobicContact CG-CG 4.48Å; M187-L307 HydrophobicContact SD-CB 4.48Å; M187-L307 HydrophobicContact SD-CD2 3.46Å; M187-L307 WeakPolarHBondContact SD-CD2 3.05Å; M187-L307 HydrophobicContact SD-CG 3.59Å; M187-L307 VanDerWaalsContact SD-CG 3.59Å; M187-L308 HydrophobicContact CE-CD2 3.5Å; M187-L308 HydrophobicContact CE-CG 4.43Å; M187-L308 HydrophobicContact SD-CD2 4.41Å
188F74.6Confident72.5Confident37 Ų3775.2 Ų75.216%0.16240%0.395CS..EExtended strand (participates in β ladder)trans-122.8125.6-177.3-63.2-77.9000109.2V119 L123 L124 Y157 R158 L159V119-F188 HydrophobicContact CG1-CE2 3.7Å; V119-F188 HydrophobicContact CG1-CZ 4.27Å; V119-F188 HydrophobicContact CG2-CE2 4.29Å; L123-F188 HydrophobicContact CD2-CE1 4.5Å; L124-F188 HydrophobicContact CD1-CZ 4.27Å; Y157-F188 HydrophobicContact CD1-CB 3.87Å; Y157-F188 HydrophobicContact CG-CB 4.46Å; R158-F188 WeakPolarHBondContact O-CA 3.42Å; L159-F188 HydrophobicContact CD1-CD1 4.17Å; L159-F188 HydrophobicContact CD1-CE1 3.82Å; L159-F188 HydrophobicContact CD1-CZ 4.37Å
189E81.6Confident73.9Confident102 Ų10275.4 Ų75.448%0.47740%0.398SS..EExtended strand (participates in β ladder)trans-92.2124.7169.8-174.1174.2-17900108.2R158R158-E189 PolarHBondContact N-O 3.43Å; R158-E189 PolarHBondContact O-N 3.37Å
190E83.2Confident75.4Confident103 Ų10373.4 Ų73.448%0.48140%0.395SS..EExtended strand (participates in β ladder)trans-83.4122174-173.2170.2177.500109.3A156 Y157A156-E190 WeakPolarHBondContact O-CA 3.27Å; Y157-E190 HydrophobicContact CD1-CB 4.23Å; Y157-E190 HydrophobicContact CE1-CB 3.98Å; Y157-E190 HydrophobicContact CE1-CG 4.25Å
191V86.4Confident77Confident6 Ų674.1 Ų74.14%0.03639%0.393CS..PPolyproline II helixtrans-100128.5-178.9-177.10000108.8I29 A156 R158 I193I29-V191 HydrophobicContact CD1-CB 3.65Å; I29-V191 HydrophobicContact CD1-CG1 3.6Å; I29-V191 HydrophobicContact CG1-CB 4.35Å; I29-V191 HydrophobicContact CG1-CG1 3.73Å; A156-V191 PolarHBondContact O-N 3.18Å; R158-V191 HydrophobicContact CB-CG2 4.16Å; V191-I193 PolarHBondContact O-N 3.1Å
192P87.2Confident78.5Confident78 Ų7872 Ų7251%0.50637%0.374SS..PPolyproline II helixtrans-65.3135.6-17826.4-34.6000111.6K27 I29K27-P192 WeakPolarHBondContact O-CD 3.5Å; K27-P192 WeakPolarHBondContact O-CG 3.43Å; I29-P192 PolarHBondContact N-O 3.42Å; I29-P192 VanDerWaalsContact N-O 3.09Å
193I88.9Confident79.9Confident45 Ų4575.5 Ų75.523%0.23140%0.395CS..EExtended strand (participates in β ladder)trans-99.1132.3179.9-63.2148.4000109.7I29 I31 L140 L154 A156 V191I29-I193 CarbonylContact O-C 3.44Å; I29-I193 WeakPolarHBondContact O-CA 3.39Å; I31-I193 HydrophobicContact CD1-CG1 4.33Å; I31-I193 HydrophobicContact CD1-CG2 3.5Å; I31-I193 VanDerWaalsContact CD1-CG2 3.5Å; I31-I193 HydrophobicContact CG1-CG2 3.92Å; L140-I193 HydrophobicContact CD2-CD1 4.46Å; L154-I193 HydrophobicContact CB-CD1 4.26Å; L154-I193 HydrophobicContact CD2-CD1 3.75Å; L154-I193 HydrophobicContact CD2-CG1 4.42Å; L154-I193 HydrophobicContact CD2-CG2 4.16Å; L154-I193 HydrophobicContact CG-CD1 4.2Å; L154-I193 WeakPolarHBondContact O-CD1 3.26Å; A156-I193 HydrophobicContact CB-CD1 3.77Å; A156-I193 HydrophobicContact CB-CG1 3.74Å; V191-I193 PolarHBondContact O-N 3.1Å
194V89.4Confident81.2Confident56 Ų5678.5 Ų78.534%0.33940%0.404SS..EExtended strand (participates in β ladder)trans-121123.9170.21730000109.5Q28 I29 Q30 I31Q28-V194 HydrophobicContact CG-CG2 4.28Å; I29-V194 PolarHBondContact O-N 3.18Å; Q30-V194 CarbonylContact C-O 3.58Å; Q30-V194 VanDerWaalsContact CA-O 3.27Å; Q30-V194 WeakPolarHBondContact CA-O 3.22Å; I31-V194 PolarHBondContact N-O 3.05Å
195I87.6Confident82.6Confident87 Ų8779.4 Ų79.445%0.44641%0.412SS..EExtended strand (participates in β ladder)trans-85123.6175.2-57173.7000108.2I31 L152I31-I195 WeakPolarHBondContact O-CA 3.39Å; L152-I195 HydrophobicContact CD2-CD1 4.08Å
196K85.8Confident83.7Confident114 Ų11481.7 Ų81.750%0.49642%0.415SS..EExtended strand (participates in β ladder)trans-123.4126.3177.9-177.6178.1169.6-165.90109.2I31 E32 E67I31-K196 PolarHBondContact O-N 3.27Å; E32-K196 WeakPolarHBondContact CA-O 3.31Å; E67-K196 IonicContact OE1-NZ 2.58Å
197N85.4Confident84.8Confident54 Ų5482 Ų8229%0.28941%0.413SS..  trans-110.5144.7176.8-69.2-24.9000110.3G33 I201 N202G33-N197 WeakPolarHBondContact CA-OD1 3.06Å; G33-N197 PolarHBondContact N-OD1 2.71Å; N197-I201 HydrophobicContact CB-CB 4.36Å; N197-I201 HydrophobicContact CB-CG2 4.23Å; N197-N202 VanDerWaalsContact CB-OD1 3.3Å; N197-N202 WeakPolarHBondContact CB-OD1 3.35Å
198S87.3Confident85.6Confident64 Ų6486.3 Ų86.345%0.44844%0.436SS..  trans-64.7152.1168.2-179.80000111L200 I201 N202S198-L200 PolarHBondContact O-N 2.89Å; S198-I201 PolarHBondContact O-N 3.12Å; S198-N202 PolarHBondContact O-N 2.91Å
199H87.1Confident85.9Confident161 Ų16190.8 Ų90.875%0.74546%0.457SS*.Hα-helixtrans-56.6-34.1177.8-64.7-64.5000112.6N202 V203H199-N202 WeakPolarHBondContact O-CB 3.48Å; H199-N202 PolarHBondContact O-N 3.41Å; H199-V203 WeakPolarHBondContact O-CG2 3.38Å; H199-V203 PolarHBondContact O-N 3.28Å
200L86.8Confident85.8Confident135 Ų13593 Ų9371%0.70747%0.472SS*.Hα-helixtrans-67.1-40.8177.2-174.865.1000112.2S198 N202 V203 L204S198-L200 PolarHBondContact O-N 2.89Å; L200-N202 VanDerWaalsContact C-N 3.26Å; L200-N202 PolarHBondContact O-N 2.89Å; L200-V203 PolarHBondContact O-N 3.47Å; L200-L204 PolarHBondContact O-N 3.45Å
201I84.9Confident85.6Confident55 Ų5595 Ų9528%0.28248%0.479SS..Hα-helixtrans-64-37.9175.9-63.2173.7000109.8E32 N197 S198 L204 L205E32-I201 HydrophobicContact CG-CD1 4.45Å; E32-I201 WeakPolarHBondContact OE1-CD1 3.35Å; N197-I201 HydrophobicContact CB-CB 4.36Å; N197-I201 HydrophobicContact CB-CG2 4.23Å; S198-I201 PolarHBondContact O-N 3.12Å; I201-L204 PolarHBondContact O-N 2.89Å; I201-L205 WeakPolarHBondContact O-CB 3.37Å; I201-L205 PolarHBondContact O-N 2.97Å
202N85.6Confident84.7Confident54 Ų5497.8 Ų97.829%0.28950%0.499SS..Hα-helixtrans-62.4-45.5174.8-63.9-27000111.2N197 S198 H199 L200 L204 L205 W206N197-N202 VanDerWaalsContact CB-OD1 3.3Å; N197-N202 WeakPolarHBondContact CB-OD1 3.35Å; S198-N202 PolarHBondContact O-N 2.91Å; H199-N202 WeakPolarHBondContact O-CB 3.48Å; H199-N202 PolarHBondContact O-N 3.41Å; L200-N202 VanDerWaalsContact C-N 3.26Å; L200-N202 PolarHBondContact O-N 2.89Å; N202-L204 VanDerWaalsContact C-N 3.33Å; N202-L204 PolarHBondContact O-N 3.48Å; N202-L205 WeakPolarHBondContact O-CB 3.49Å; N202-L205 PolarHBondContact O-N 3.32Å; N202-L205 VanDerWaalsContact O-N 3.14Å; N202-W206 PolarHBondContact O-N 2.98Å
203V88.2Confident83.2Confident89 Ų89100.4 Ų100.454%0.53951%0.514SS..Hα-helixtrans-60.1-42.6175.4173.80000111.5H199 L200 L205 W206 E207H199-V203 WeakPolarHBondContact O-CG2 3.38Å; H199-V203 PolarHBondContact O-N 3.28Å; L200-V203 PolarHBondContact O-N 3.47Å; V203-L205 VanDerWaalsContact C-N 3.3Å; V203-L205 PolarHBondContact O-N 2.92Å; V203-W206 WeakPolarHBondContact O-CB 3.4Å; V203-W206 PolarHBondContact O-N 2.69Å; V203-E207 PolarHBondContact O-N 3.02Å
204L85.6Confident81.5Confident93 Ų93103.5 Ų103.549%0.48754%0.535SS..Hα-helixtrans-62-39.1175.1179.664.7000111.8L200 I201 N202 W206 E207 L208L200-L204 PolarHBondContact O-N 3.45Å; I201-L204 PolarHBondContact O-N 2.89Å; N202-L204 VanDerWaalsContact C-N 3.33Å; N202-L204 PolarHBondContact O-N 3.48Å; L204-W206 VanDerWaalsContact C-N 3.35Å; L204-E207 PolarHBondContact O-N 3.09Å; L204-L208 HydrophobicContact CG-CD1 4.14Å; L204-L208 WeakPolarHBondContact O-CB 3.49Å; L204-L208 WeakPolarHBondContact O-CG 3.33Å; L204-L208 PolarHBondContact O-N 3.03Å
205L84.9Confident79.9Confident102 Ų102105.5 Ų105.553%0.53455%0.551SS.*Hα-helixtrans-65.1-39.3177.3-168.467000111.5I201 N202 V203 L208 E209I201-L205 WeakPolarHBondContact O-CB 3.37Å; I201-L205 PolarHBondContact O-N 2.97Å; N202-L205 WeakPolarHBondContact O-CB 3.49Å; N202-L205 PolarHBondContact O-N 3.32Å; N202-L205 VanDerWaalsContact O-N 3.14Å; V203-L205 VanDerWaalsContact C-N 3.3Å; V203-L205 PolarHBondContact O-N 2.92Å; L205-L208 PolarHBondContact O-N 2.98Å; L205-E209 WeakPolarHBondContact O-CB 3.29Å; L205-E209 PolarHBondContact O-N 3.19Å
206W84.8Confident78.4Confident185 Ų185106.1 Ų106.170%0.70156%0.555SS**Hα-helixtrans-61.3-43.9172.6-76.9106.8000112.1N202 V203 L204 L208 E209 D210N202-W206 PolarHBondContact O-N 2.98Å; V203-W206 WeakPolarHBondContact O-CB 3.4Å; V203-W206 PolarHBondContact O-N 2.69Å; L204-W206 VanDerWaalsContact C-N 3.35Å; W206-L208 VanDerWaalsContact C-N 3.35Å; W206-E209 PolarHBondContact O-N 2.9Å; W206-D210 PolarHBondContact O-N 3.46Å
207E88Confident77.3Confident96 Ų96109.3 Ų109.345%0.44957%0.569SS.*Hα-helixtrans-67.2-36.6177.1-173.6178.8-179.800112.1V203 L204 D210 K211V203-E207 PolarHBondContact O-N 3.02Å; L204-E207 PolarHBondContact O-N 3.09Å; E207-D210 PolarHBondContact O-N 2.9Å; E207-K211 HydrophobicContact CG-CD 4.19Å; E207-K211 WeakPolarHBondContact O-CB 3.27Å; E207-K211 WeakPolarHBondContact O-CG 3.48Å; E207-K211 PolarHBondContact O-N 3.45Å; E207-K211 VanDerWaalsContact O-N 3.09Å; E207-K211 VanDerWaalsContact OE1-CE 3.29Å; E207-K211 WeakPolarHBondContact OE1-CE 3.43Å; E207-K211 IonicContact OE1-NZ 3.49Å; E207-K211 PolarHBondContact OE1-NZ 2.98Å
208L84.4Confident76.3Confident96 Ų96112.4 Ų112.450%0.50358%0.582SS.*Hα-helixtrans-67.4-37174.9-79.9169000112.1L204 L205 W206 D210 K211 S212L204-L208 HydrophobicContact CG-CD1 4.14Å; L204-L208 WeakPolarHBondContact O-CB 3.49Å; L204-L208 WeakPolarHBondContact O-CG 3.33Å; L204-L208 PolarHBondContact O-N 3.03Å; L205-L208 PolarHBondContact O-N 2.98Å; W206-L208 VanDerWaalsContact C-N 3.35Å; L208-D210 VanDerWaalsContact C-N 3.35Å; L208-K211 PolarHBondContact O-N 2.82Å; L208-S212 WeakPolarHBondContact O-CA 3.45Å; L208-S212 WeakPolarHBondContact O-CB 3.18Å; L208-S212 PolarHBondContact O-N 2.77Å
209E80.8Confident75.2Confident131 Ų131115.3 Ų115.361%0.61259%0.588SS**Hα-helixtrans-63.2-42176.3-174.6170.2-161.100111.4L205 W206L205-E209 WeakPolarHBondContact O-CB 3.29Å; L205-E209 PolarHBondContact O-N 3.19Å; W206-E209 PolarHBondContact O-N 2.9Å
210D80.3Confident74.4Confident148 Ų148111.6 Ų111.679%0.79157%0.574SS**Hα-helixtrans-68.8-35.1177.5-167.648.7000112.6W206 E207 L208W206-D210 PolarHBondContact O-N 3.46Å; E207-D210 PolarHBondContact O-N 2.9Å; L208-D210 VanDerWaalsContact C-N 3.35Å
211K78.4Confident73.6Confident145 Ų145110.1 Ų110.163%0.6357%0.566SS**Hα-helixtrans-85.3-18.1178.8-69-178.5-174.4176.50114.1E207 L208E207-K211 HydrophobicContact CG-CD 4.19Å; E207-K211 WeakPolarHBondContact O-CB 3.27Å; E207-K211 WeakPolarHBondContact O-CG 3.48Å; E207-K211 PolarHBondContact O-N 3.45Å; E207-K211 VanDerWaalsContact O-N 3.09Å; E207-K211 VanDerWaalsContact OE1-CE 3.29Å; E207-K211 WeakPolarHBondContact OE1-CE 3.43Å; E207-K211 IonicContact OE1-NZ 3.49Å; E207-K211 PolarHBondContact OE1-NZ 2.98Å; L208-K211 PolarHBondContact O-N 2.82Å
212S67.8Low73Confident66 Ų66111 Ų11146%0.46257%0.571SS.*SBendtrans-83.6120.7-179.1175.80000110L208 V214L208-S212 WeakPolarHBondContact O-CA 3.45Å; L208-S212 WeakPolarHBondContact O-CB 3.18Å; L208-S212 PolarHBondContact O-N 2.77Å; S212-V214 PolarHBondContact O-N 2.88Å
213T56.7Low72.3Confident133 Ų133112.4 Ų112.482%0.81658%0.578SS**  trans-73.895.5165.754.80000108.5S215T213-S215 PolarHBondContact O-N 3.01Å
214V51.8Low71.2Confident110 Ų110112.6 Ų112.667%0.66758%0.583SS**  trans34.385.3162.2-162.90000114S212 D216S212-V214 PolarHBondContact O-N 2.88Å; V214-D216 HydrophobicContact CG1-CB 4.48Å; V214-D216 WeakPolarHBondContact CG1-OD1 3.23Å; V214-D216 PolarHBondContact O-N 3.26Å
215S55.6Low70.2Confident98 Ų98108.9 Ų108.969%0.68557%0.565SS**  trans-6993.4156.6-177.30000107.1T213 K217T213-S215 PolarHBondContact O-N 3.01Å; S215-K217 PolarHBondContact O-N 3.35Å
216D55.9Low69.3Low99 Ų99108.1 Ų108.153%0.52957%0.569SS.*  trans-62.3103.3-179.5-106.8-10.6000109.3V214 H218V214-D216 HydrophobicContact CG1-CB 4.48Å; V214-D216 WeakPolarHBondContact CG1-OD1 3.23Å; V214-D216 PolarHBondContact O-N 3.26Å; D216-H218 WeakPolarHBondContact CB-CD2 3.44Å; D216-H218 WeakPolarHBondContact CB-NE2 3.41Å; D216-H218 VanDerWaalsContact CG-CD2 3.47Å; D216-H218 PolarHBondContact O-N 3.18Å; D216-H218 IonicContact OD1-CE1 3.64Å; D216-H218 IonicContact OD1-NE2 2.69Å; D216-H218 PolarHBondContact OD1-NE2 3.41Å; D216-H218 VanDerWaalsContact OD1-NE2 3.16Å; D216-H218 IonicContact OD2-CD2 3.8Å; D216-H218 PolarHBondContact OD2-CD2 3.01Å; D216-H218 IonicContact OD2-NE2 3.7Å; D216-H218 PolarHBondContact OD2-NE2 3.46Å
217K64.1Low68.9Low181 Ų181105 Ų10579%0.78757%0.565SS**  trans-7341.6-177.7-62.3177.1-177.5167.90112.6S215 E219S215-K217 PolarHBondContact O-N 3.35Å; K217-E219 VanDerWaalsContact C-N 3.33Å
218H62.8Low68.3Low120 Ų120101 Ų10156%0.55655%0.547SS*.  trans-79.7-16.8-177-59.9-44.5000113D216 L220 L221D216-H218 WeakPolarHBondContact CB-CD2 3.44Å; D216-H218 WeakPolarHBondContact CB-NE2 3.41Å; D216-H218 VanDerWaalsContact CG-CD2 3.47Å; D216-H218 PolarHBondContact O-N 3.18Å; D216-H218 IonicContact OD1-CE1 3.64Å; D216-H218 IonicContact OD1-NE2 2.69Å; D216-H218 PolarHBondContact OD1-NE2 3.41Å; D216-H218 VanDerWaalsContact OD1-NE2 3.16Å; D216-H218 IonicContact OD2-CD2 3.8Å; D216-H218 PolarHBondContact OD2-CD2 3.01Å; D216-H218 IonicContact OD2-NE2 3.7Å; D216-H218 PolarHBondContact OD2-NE2 3.46Å; H218-L220 PolarHBondContact O-N 3.06Å; H218-L221 PolarHBondContact O-N 3.46Å
219E65.4Low68Low125 Ų12599.1 Ų99.158%0.58454%0.537SS*.G310 helixtrans-60.2-33.7-177.2-68-176161.600112.6K217 L221 N222K217-E219 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 3.21Å; E219-N222 VanDerWaalsContact O-CB 3.29Å; E219-N222 WeakPolarHBondContact O-CB 3.32Å; E219-N222 PolarHBondContact O-N 2.96Å; E219-N222 VanDerWaalsContact O-N 3.16Å
220L69.4Low68.1Low83 Ų8398.8 Ų98.844%0.43554%0.535SS..G310 helixtrans-61.6-33.6177.1-173.969.7000112.2H218 N222 K330H218-L220 PolarHBondContact O-N 3.06Å; L220-N222 VanDerWaalsContact C-N 3.32Å; L220-K330 WeakPolarHBondContact O-CD 3.44Å; L220-K330 WeakPolarHBondContact O-CE 3.49Å; L220-K330 PolarHBondContact O-NZ 2.91Å
221L70.4Confident68.3Low103 Ų10396.1 Ų96.154%0.53952%0.517SS..G310 helixtrans-91.46.5-178.1-63.8177.8000113.1H218 E219 L223 M333H218-L221 PolarHBondContact O-N 3.46Å; E219-L221 PolarHBondContact O-N 3.21Å; L221-L223 PolarHBondContact O-N 2.86Å; L221-M333 HydrophobicContact CD2-CE 3.97Å
222N72.3Confident68.4Low74 Ų7489.7 Ų89.740%0.39649%0.49SS..  trans-66.6126.6178.7-165.7-0.4000111.1E219 L220 S224 K330E219-N222 VanDerWaalsContact O-CB 3.29Å; E219-N222 WeakPolarHBondContact O-CB 3.32Å; E219-N222 PolarHBondContact O-N 2.96Å; E219-N222 VanDerWaalsContact O-N 3.16Å; L220-N222 VanDerWaalsContact C-N 3.32Å; N222-S224 PolarHBondContact ND2-OG 2.7Å; N222-S224 VanDerWaalsContact ND2-OG 3.07Å; N222-S224 WeakPolarHBondContact OD1-CB 3.33Å; N222-S224 PolarHBondContact OD1-N 3.17Å; N222-S224 PolarHBondContact OD1-OG 2.97Å; N222-K330 WeakPolarHBondContact O-CD 3.46Å; N222-K330 PolarHBondContact O-NZ 3.44Å; N222-K330 VanDerWaalsContact O-NZ 3.1Å
223L70.4Confident69.2Low83 Ų8389.7 Ų89.744%0.43548%0.484SS..  trans-90.7-13.7175.8-71.9164000112.5L221 S225 K330 L331 A334L221-L223 PolarHBondContact O-N 2.86Å; L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 3.44Å; L223-K330 HydrophobicContact CD2-CB 3.57Å; L223-K330 HydrophobicContact CG-CB 4.41Å; L223-L331 HydrophobicContact CD2-CD2 3.87Å; L223-L331 HydrophobicContact CD2-CG 3.95Å; L223-A334 HydrophobicContact CD1-CB 4.09Å
224S65.1Low70.6Confident93 Ų9388.5 Ų88.565%0.6547%0.469SS*.  trans-83.156.6-174.861.30000113.3N222N222-S224 PolarHBondContact ND2-OG 2.7Å; N222-S224 VanDerWaalsContact ND2-OG 3.07Å; N222-S224 WeakPolarHBondContact OD1-CB 3.33Å; N222-S224 PolarHBondContact OD1-N 3.17Å; N222-S224 PolarHBondContact OD1-OG 2.97Å
225S65.7Low72.2Confident15 Ų1585.5 Ų85.511%0.10545%0.449CS..  trans-109.919.8-174.6-49.20000114.7L223 N227 H228 F323L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 3.44Å; S225-N227 VanDerWaalsContact C-N 3.32Å; S225-N227 PolarHBondContact O-N 3.49Å; S225-H228 PolarHBondContact O-N 3.34Å; S225-F323 VanDerWaalsContact CB-CZ 3.43Å
226S65.4Low73.6Confident87 Ų8782.2 Ų82.261%0.60842%0.424SS*.Hα-helixtrans-56.3-41.5-177.7-1690000113.3H228 L229 E230S226-H228 VanDerWaalsContact C-N 3.26Å; S226-H228 PolarHBondContact O-N 3.43Å; S226-L229 PolarHBondContact O-N 2.91Å; S226-E230 PolarHBondContact O-N 3.32Å
227N75.6Confident75.1Confident119 Ų11983 Ų8364%0.63643%0.426SS*.Hα-helixtrans-66-27.3-177.3-63.3-12000113.1S225 K231S225-N227 VanDerWaalsContact C-N 3.32Å; S225-N227 PolarHBondContact O-N 3.49Å; N227-K231 WeakPolarHBondContact O-CG 3.34Å; N227-K231 PolarHBondContact O-N 2.79Å
228H75.5Confident76.3Confident13 Ų1378 Ų786%0.0641%0.408CS..Hα-helixtrans-73-42.5176.6-179.681.3000111.2Y115 Q149 S225 S226 S232 F323Y115-H228 AromaticContact CD1-CE1 3.54Å; Y115-H228 AromaticContact CD1-ND1 3.62Å; Y115-H228 HydrophobicContact CE1-CB 4.37Å; Y115-H228 AromaticContact CE1-CE1 3.51Å; Y115-H228 AromaticContact CE1-CG 3.79Å; Y115-H228 AromaticContact CE1-ND1 3.05Å; Y115-H228 WeakPolarHBondContact CE1-ND1 3.12Å; Y115-H228 WeakPolarHBondContact CE1-O 3.47Å; Y115-H228 AromaticContact CZ-ND1 3.85Å; Q149-H228 VanDerWaalsContact NE2-CB 3.31Å; Q149-H228 PolarHBondContact NE2-ND1 3.25Å; S225-H228 PolarHBondContact O-N 3.34Å; S226-H228 VanDerWaalsContact C-N 3.26Å; S226-H228 PolarHBondContact O-N 3.43Å; H228-S232 WeakPolarHBondContact O-CB 3.49Å; H228-S232 PolarHBondContact O-N 3.2Å; H228-S232 PolarHBondContact O-OG 2.76Å; H228-F323 HydrophobicContact CB-CE2 4.46Å; H228-F323 HydrophobicContact CB-CZ 4.3Å; H228-F323 AromaticContact CD2-CD2 3.75Å; H228-F323 AromaticContact CD2-CE2 3.54Å; H228-F323 AromaticContact CD2-CZ 3.86Å
229L78.8Confident77.4Confident55 Ų5575.9 Ų75.929%0.28840%0.395SS..Hα-helixtrans-65.2-44.4177.6-174.161.8000111.3S226 S232 L233 V320 F323S226-L229 PolarHBondContact O-N 2.91Å; L229-S232 PolarHBondContact O-N 2.8Å; L229-L233 HydrophobicContact CD1-CD1 4.27Å; L229-L233 HydrophobicContact CD1-CG 4.29Å; L229-L233 HydrophobicContact CG-CD1 4Å; L229-L233 HydrophobicContact CG-CG 4.41Å; L229-L233 WeakPolarHBondContact O-CB 3.31Å; L229-L233 WeakPolarHBondContact O-CG 3.15Å; L229-L233 PolarHBondContact O-N 3.09Å; L229-V320 HydrophobicContact CD1-CG1 4.1Å; L229-F323 HydrophobicContact CB-CE1 3.88Å; L229-F323 HydrophobicContact CD1-CD1 4.2Å; L229-F323 HydrophobicContact CD1-CE1 4.27Å; L229-F323 HydrophobicContact CG-CE1 4.5Å
230E83.3Confident78.4Confident124 Ų12472.5 Ų72.558%0.57938%0.383SS*.Hα-helixtrans-57.9-51.2178.7-174.7178.2176.800111.4S226 S232 L233 Q234S226-E230 PolarHBondContact O-N 3.32Å; E230-S232 PolarHBondContact O-N 3.04Å; E230-L233 PolarHBondContact O-N 2.95Å; E230-Q234 WeakPolarHBondContact O-CB 3.29Å; E230-Q234 PolarHBondContact O-N 3.38Å
231K83.6Confident79.4Confident93 Ų9372.8 Ų72.840%0.40439%0.385SS..Hα-helixtrans-64-39.6176.9-75.2179.5169.5-1710112.9Y115 N227 L233 Q234 L235Y115-K231 HydrophobicContact CD1-CB 4.44Å; Y115-K231 HydrophobicContact CE1-CB 3.76Å; Y115-K231 HydrophobicContact CE2-CB 4.29Å; Y115-K231 HydrophobicContact CE2-CD 4.11Å; Y115-K231 WeakPolarHBondContact OH-CD 3.43Å; N227-K231 WeakPolarHBondContact O-CG 3.34Å; N227-K231 PolarHBondContact O-N 2.79Å; K231-L233 VanDerWaalsContact C-N 3.32Å; K231-L233 PolarHBondContact O-N 3.39Å; K231-Q234 PolarHBondContact O-N 3.17Å; K231-L235 WeakPolarHBondContact O-CG 3.26Å; K231-L235 PolarHBondContact O-N 3.46Å
232S81.1Confident80.2Confident9 Ų970.2 Ų70.26%0.06337%0.372CS..Hα-helixtrans-62.6-40.6176-58.40000111.7Y115 H228 L229 E230 L236Y115-S232 WeakPolarHBondContact CD1-OG 3.45Å; H228-S232 WeakPolarHBondContact O-CB 3.49Å; H228-S232 PolarHBondContact O-N 3.2Å; H228-S232 PolarHBondContact O-OG 2.76Å; L229-S232 PolarHBondContact O-N 2.8Å; E230-S232 PolarHBondContact O-N 3.04Å; S232-L236 WeakPolarHBondContact O-CB 3.41Å; S232-L236 PolarHBondContact O-N 2.79Å
233L84.3Confident80.8Confident66 Ų6668.6 Ų68.635%0.34636%0.363SS..Hα-helixtrans-70.3-38.3176.5-74.5174.3000111.8L229 E230 K231 L236 M237L229-L233 HydrophobicContact CD1-CD1 4.27Å; L229-L233 HydrophobicContact CD1-CG 4.29Å; L229-L233 HydrophobicContact CG-CD1 4Å; L229-L233 HydrophobicContact CG-CG 4.41Å; L229-L233 WeakPolarHBondContact O-CB 3.31Å; L229-L233 WeakPolarHBondContact O-CG 3.15Å; L229-L233 PolarHBondContact O-N 3.09Å; E230-L233 PolarHBondContact O-N 2.95Å; K231-L233 VanDerWaalsContact C-N 3.32Å; K231-L233 PolarHBondContact O-N 3.39Å; L233-L236 HydrophobicContact CD2-CD2 4.37Å; L233-L236 WeakPolarHBondContact O-CB 3.17Å; L233-L236 PolarHBondContact O-N 2.9Å; L233-M237 HydrophobicContact CB-CE 4.38Å; L233-M237 WeakPolarHBondContact O-CG 3.41Å; L233-M237 PolarHBondContact O-N 2.91Å
234Q87Confident81.7Confident108 Ų10868.3 Ų68.351%0.50536%0.362SS..Hα-helixtrans-60.8-48.5175-173.1177.5-2.400111.2E230 K231 L236 M237 D238E230-Q234 WeakPolarHBondContact O-CB 3.29Å; E230-Q234 PolarHBondContact O-N 3.38Å; K231-Q234 PolarHBondContact O-N 3.17Å; Q234-L236 VanDerWaalsContact C-N 3.28Å; Q234-L236 PolarHBondContact O-N 3.01Å; Q234-M237 WeakPolarHBondContact O-CB 3.32Å; Q234-M237 PolarHBondContact O-N 3.16Å; Q234-M237 VanDerWaalsContact O-N 3.09Å; Q234-D238 PolarHBondContact O-N 2.94Å
235L84.6Confident82.7Confident47 Ų4769.1 Ų69.125%0.24636%0.355CS..Hα-helixtrans-62.7-35176.3-69170.1000112.6Y115 K231 R239 Y316Y115-L235 VanDerWaalsContact CB-CD1 3.45Å; Y115-L235 HydrophobicContact CD2-CD1 4.17Å; Y115-L235 HydrophobicContact CG-CD1 3.88Å; K231-L235 WeakPolarHBondContact O-CG 3.26Å; K231-L235 PolarHBondContact O-N 3.46Å; L235-R239 PolarHBondContact O-N 2.78Å; L235-Y316 HydrophobicContact CB-CE1 4.14Å
236L85.6Confident83.6Confident30 Ų3069.8 Ų69.816%0.15736%0.357CS..Hα-helixtrans-65.3-42.1172.6176.563.7000111.5S232 L233 Q234 R239 V240 I313 Y316S232-L236 WeakPolarHBondContact O-CB 3.41Å; S232-L236 PolarHBondContact O-N 2.79Å; L233-L236 HydrophobicContact CD2-CD2 4.37Å; L233-L236 WeakPolarHBondContact O-CB 3.17Å; L233-L236 PolarHBondContact O-N 2.9Å; Q234-L236 VanDerWaalsContact C-N 3.28Å; Q234-L236 PolarHBondContact O-N 3.01Å; L236-R239 PolarHBondContact O-N 2.9Å; L236-V240 HydrophobicContact CD1-CG2 4.23Å; L236-V240 HydrophobicContact CG-CG2 4.46Å; L236-V240 VanDerWaalsContact O-CG2 3.29Å; L236-V240 WeakPolarHBondContact O-CG2 3.4Å; L236-V240 PolarHBondContact O-N 3.39Å; L236-I313 HydrophobicContact CD1-CB 4.36Å; L236-I313 HydrophobicContact CD1-CG1 4.2Å; L236-I313 HydrophobicContact CD1-CG2 4.02Å; L236-Y316 HydrophobicContact CD1-CD2 4.31Å; L236-Y316 HydrophobicContact CD1-CG 4.44Å
237M87.8Confident84.5Confident116 Ų11669 Ų6957%0.57135%0.346SS*.Hα-helixtrans-60.6-46176-71.8-179.7-147.400111L233 Q234 R239 V240 D241L233-M237 HydrophobicContact CB-CE 4.38Å; L233-M237 WeakPolarHBondContact O-CG 3.41Å; L233-M237 PolarHBondContact O-N 2.91Å; Q234-M237 WeakPolarHBondContact O-CB 3.32Å; Q234-M237 PolarHBondContact O-N 3.16Å; Q234-M237 VanDerWaalsContact O-N 3.09Å; M237-R239 VanDerWaalsContact C-N 3.29Å; M237-R239 PolarHBondContact O-N 2.82Å; M237-V240 PolarHBondContact O-N 3.18Å; M237-V240 VanDerWaalsContact O-N 3.1Å; M237-D241 PolarHBondContact O-N 3.07Å
238D88.8Confident85.1Confident76 Ų7667.6 Ų67.641%0.40634%0.341SS..Hα-helixtrans-57.4-42.5177.8-66.1-18.8000111.4Q234 D241 D242Q234-D238 PolarHBondContact O-N 2.94Å; D238-D241 PolarHBondContact O-N 2.98Å; D238-D242 PolarHBondContact O-N 2.79Å
239R84.6Confident85.6Confident74 Ų7472.3 Ų72.328%0.27936%0.362SS..Hα-helixtrans-71.5-32.1176.3-67.9-49.3-175.9-151.3-6.9114.5L235 L236 M237 D241 D242 L243 I309 I313 Y316L235-R239 PolarHBondContact O-N 2.78Å; L236-R239 PolarHBondContact O-N 2.9Å; M237-R239 VanDerWaalsContact C-N 3.29Å; M237-R239 PolarHBondContact O-N 2.82Å; R239-D241 VanDerWaalsContact C-N 3.31Å; R239-D242 WeakPolarHBondContact CD-OD2 3.02Å; R239-D242 IonicContact CZ-OD2 3.59Å; R239-D242 IonicContact NH1-OD2 3.16Å; R239-D242 PolarHBondContact NH1-OD2 2.96Å; R239-L243 WeakPolarHBondContact O-CB 3.3Å; R239-L243 PolarHBondContact O-N 2.87Å; R239-I309 HydrophobicContact CB-CG2 4.49Å; R239-I309 WeakPolarHBondContact O-CG2 3.32Å; R239-I313 HydrophobicContact CB-CG1 4.15Å; R239-Y316 HydrophobicContact CG-CE2 3.95Å
240V87.5Confident85.9Confident55 Ų5574.2 Ų74.233%0.33337%0.366SS..Hα-helixtrans-68.4-36172.61700000110.4L236 M237 L243 N244 I313L236-V240 HydrophobicContact CD1-CG2 4.23Å; L236-V240 HydrophobicContact CG-CG2 4.46Å; L236-V240 VanDerWaalsContact O-CG2 3.29Å; L236-V240 WeakPolarHBondContact O-CG2 3.4Å; L236-V240 PolarHBondContact O-N 3.39Å; M237-V240 PolarHBondContact O-N 3.18Å; M237-V240 VanDerWaalsContact O-N 3.1Å; V240-L243 WeakPolarHBondContact O-CB 3.29Å; V240-L243 PolarHBondContact O-N 3.43Å; V240-N244 WeakPolarHBondContact O-CB 3.29Å; V240-N244 PolarHBondContact O-N 3.26Å; V240-N244 PolarHBondContact O-ND2 3.17Å; V240-I313 HydrophobicContact CG2-CD1 4.15Å; V240-I313 HydrophobicContact CG2-CG1 4.46Å
241D90.1Very high86Confident89 Ų8971.9 Ų71.948%0.47636%0.357SS..Hα-helixtrans-68.2-41.6174.3-77.4-14.1000111.9M237 D238 R239 L243 N244 Q245M237-D241 PolarHBondContact O-N 3.07Å; D238-D241 PolarHBondContact O-N 2.98Å; R239-D241 VanDerWaalsContact C-N 3.31Å; D241-L243 VanDerWaalsContact C-N 3.31Å; D241-L243 PolarHBondContact O-N 3.38Å; D241-N244 WeakPolarHBondContact O-CB 2.9Å; D241-N244 PolarHBondContact O-N 2.88Å; D241-N244 VanDerWaalsContact O-N 3.17Å; D241-Q245 WeakPolarHBondContact O-CG 3.06Å; D241-Q245 PolarHBondContact O-N 3.4Å
242D86.8Confident86.3Confident49 Ų4970.7 Ų70.726%0.26236%0.358SS..Hα-helixtrans-56.8-45.8170.2-72-25.1000111.2D238 R239 N244 Q245 D246 I309D238-D242 PolarHBondContact O-N 2.79Å; R239-D242 WeakPolarHBondContact CD-OD2 3.02Å; R239-D242 IonicContact CZ-OD2 3.59Å; R239-D242 IonicContact NH1-OD2 3.16Å; R239-D242 PolarHBondContact NH1-OD2 2.96Å; D242-N244 VanDerWaalsContact C-N 3.33Å; D242-N244 PolarHBondContact O-N 3.43Å; D242-Q245 WeakPolarHBondContact O-CB 3.37Å; D242-Q245 PolarHBondContact O-N 2.9Å; D242-D246 PolarHBondContact O-N 3.07Å; D242-I309 HydrophobicContact CB-CD1 4.22Å
243L85.6Confident86.4Confident39 Ų3972.5 Ų72.520%0.20436%0.364CS..Hα-helixtrans-61.2-42.3176.1-176.965.3000111.5R239 V240 D241 Q245 D246 I247 T306 I309 I313R239-L243 WeakPolarHBondContact O-CB 3.3Å; R239-L243 PolarHBondContact O-N 2.87Å; V240-L243 WeakPolarHBondContact O-CB 3.29Å; V240-L243 PolarHBondContact O-N 3.43Å; D241-L243 VanDerWaalsContact C-N 3.31Å; D241-L243 PolarHBondContact O-N 3.38Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; L243-Q245 PolarHBondContact O-N 2.83Å; L243-D246 PolarHBondContact O-N 3.35Å; L243-I247 HydrophobicContact CD1-CD1 4.46Å; L243-I247 HydrophobicContact CD2-CD1 4.44Å; L243-I247 HydrophobicContact CG-CD1 3.9Å; L243-I247 HydrophobicContact CG-CG1 4.47Å; L243-I247 VanDerWaalsContact O-CG1 3.24Å; L243-I247 WeakPolarHBondContact O-CG1 3.22Å; L243-I247 PolarHBondContact O-N 2.91Å; L243-T306 HydrophobicContact CD1-CG2 3.72Å; L243-I309 HydrophobicContact CB-CG2 3.9Å; L243-I309 HydrophobicContact CD1-CG2 4.38Å; L243-I313 HydrophobicContact CB-CD1 4.26Å; L243-I313 HydrophobicContact CD2-CD1 3.75Å
244N87.9Confident86.4Confident78 Ų7872 Ų7242%0.41737%0.366SS..Hα-helixtrans-61.6-42.8176.6-80.3-37.1000111.5V240 D241 D242 D246 I247 V248V240-N244 WeakPolarHBondContact O-CB 3.29Å; V240-N244 PolarHBondContact O-N 3.26Å; V240-N244 PolarHBondContact O-ND2 3.17Å; D241-N244 WeakPolarHBondContact O-CB 2.9Å; D241-N244 PolarHBondContact O-N 2.88Å; D241-N244 VanDerWaalsContact O-N 3.17Å; D242-N244 VanDerWaalsContact C-N 3.33Å; D242-N244 PolarHBondContact O-N 3.43Å; N244-D246 VanDerWaalsContact C-N 3.31Å; N244-D246 PolarHBondContact O-N 2.9Å; N244-I247 PolarHBondContact O-N 2.96Å; N244-V248 VanDerWaalsContact O-CG2 3.31Å; N244-V248 WeakPolarHBondContact O-CG2 3.5Å; N244-V248 PolarHBondContact O-N 3.45Å
245Q87.6Confident86.4Confident110 Ų11075.2 Ų75.251%0.51437%0.373SS..Hα-helixtrans-59.7-43.3175.2-69.5179.734.100111.4D241 D242 L243 V248 K249D241-Q245 WeakPolarHBondContact O-CG 3.06Å; D241-Q245 PolarHBondContact O-N 3.4Å; D242-Q245 WeakPolarHBondContact O-CB 3.37Å; D242-Q245 PolarHBondContact O-N 2.9Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; L243-Q245 PolarHBondContact O-N 2.83Å; Q245-V248 PolarHBondContact O-N 3.02Å; Q245-K249 WeakPolarHBondContact O-CG 3.44Å; Q245-K249 PolarHBondContact O-N 3Å
246D83.3Confident86.4Confident28 Ų2876.8 Ų76.815%0.1538%0.382CS..Hα-helixtrans-67.6-37.3177.2-83.5-0.1000112.9D242 L243 N244 V248 K249 Y250D242-D246 PolarHBondContact O-N 3.07Å; L243-D246 PolarHBondContact O-N 3.35Å; N244-D246 VanDerWaalsContact C-N 3.31Å; N244-D246 PolarHBondContact O-N 2.9Å; D246-V248 VanDerWaalsContact C-N 3.32Å; D246-V248 PolarHBondContact O-N 3.02Å; D246-K249 PolarHBondContact O-N 3.49Å; D246-K249 IonicContact OD1-NZ 3.14Å; D246-K249 PolarHBondContact OD1-NZ 3.31Å; D246-Y250 WeakPolarHBondContact O-CB 3.48Å; D246-Y250 PolarHBondContact O-N 3.18Å
247I85.1Confident86.3Confident71 Ų7177.5 Ų77.536%0.36439%0.386SS..Hα-helixtrans-61.9-41.5172-70.2164.8000110.5L243 N244 Y250 N251L243-I247 HydrophobicContact CD1-CD1 4.46Å; L243-I247 HydrophobicContact CD2-CD1 4.44Å; L243-I247 HydrophobicContact CG-CD1 3.9Å; L243-I247 HydrophobicContact CG-CG1 4.47Å; L243-I247 VanDerWaalsContact O-CG1 3.24Å; L243-I247 WeakPolarHBondContact O-CG1 3.22Å; L243-I247 PolarHBondContact O-N 2.91Å; N244-I247 PolarHBondContact O-N 2.96Å; I247-Y250 PolarHBondContact O-N 3.31Å; I247-N251 WeakPolarHBondContact CG2-ND2 3.45Å; I247-N251 WeakPolarHBondContact O-CB 3.05Å; I247-N251 VanDerWaalsContact O-CG 3.26Å; I247-N251 PolarHBondContact O-N 3.25Å; I247-N251 PolarHBondContact O-ND2 2.67Å
248V89.1Confident86.2Confident90 Ų9074.5 Ų74.555%0.54538%0.376SS..Hα-helixtrans-64.7-42.9176.9171.60000111.4N244 Q245 D246 Y250 N251 T252N244-V248 VanDerWaalsContact O-CG2 3.31Å; N244-V248 WeakPolarHBondContact O-CG2 3.5Å; N244-V248 PolarHBondContact O-N 3.45Å; Q245-V248 PolarHBondContact O-N 3.02Å; D246-V248 VanDerWaalsContact C-N 3.32Å; D246-V248 PolarHBondContact O-N 3.02Å; V248-Y250 VanDerWaalsContact C-N 3.34Å; V248-Y250 PolarHBondContact O-N 2.93Å; V248-N251 PolarHBondContact O-N 3.1Å; V248-T252 PolarHBondContact O-N 2.82Å; V248-T252 PolarHBondContact O-OG1 2.86Å
249K85.9Confident86.2Confident112 Ų11277 Ų7749%0.48738%0.383SS..Hα-helixtrans-59.3-45.7173.2-67.4170.4-160157.10110.7Q245 D246 T252 Y253Q245-K249 WeakPolarHBondContact O-CG 3.44Å; Q245-K249 PolarHBondContact O-N 3Å; D246-K249 PolarHBondContact O-N 3.49Å; D246-K249 IonicContact OD1-NZ 3.14Å; D246-K249 PolarHBondContact OD1-NZ 3.31Å; K249-T252 PolarHBondContact O-N 3.09Å; K249-Y253 PolarHBondContact O-N 3.42Å
250Y84.1Confident86.1Confident94 Ų9475.6 Ų75.637%0.36938%0.38SS..Hα-helixtrans-64.4-40.4177.7-177.9-99.2000113D246 I247 V248 T252 Y253 S254 P301 R303D246-Y250 WeakPolarHBondContact O-CB 3.48Å; D246-Y250 PolarHBondContact O-N 3.18Å; I247-Y250 PolarHBondContact O-N 3.31Å; V248-Y250 VanDerWaalsContact C-N 3.34Å; V248-Y250 PolarHBondContact O-N 2.93Å; Y250-T252 VanDerWaalsContact C-N 3.32Å; Y250-T252 PolarHBondContact O-N 2.86Å; Y250-Y253 HydrophobicContact CD2-CD1 4.46Å; Y250-Y253 HydrophobicContact CE2-CD1 4.42Å; Y250-Y253 WeakPolarHBondContact O-CB 3.4Å; Y250-Y253 PolarHBondContact O-N 3.32Å; Y250-S254 WeakPolarHBondContact O-CB 3.49Å; Y250-S254 PolarHBondContact O-N 3.35Å; Y250-P301 HydrophobicContact CD2-CG 4.16Å; Y250-R303 PolarHBondContact OH-NH2 2.94Å; Y250-R303 VanDerWaalsContact OH-NH2 3.12Å
251N86.5Confident85.9Confident75 Ų7578.6 Ų78.640%0.40139%0.391SS..Hα-helixtrans-63.5-40.1176-78.7-32.9000111.6I247 V248 S254 R255I247-N251 WeakPolarHBondContact CG2-ND2 3.45Å; I247-N251 WeakPolarHBondContact O-CB 3.05Å; I247-N251 VanDerWaalsContact O-CG 3.26Å; I247-N251 PolarHBondContact O-N 3.25Å; I247-N251 PolarHBondContact O-ND2 2.67Å; V248-N251 PolarHBondContact O-N 3.1Å; N251-S254 PolarHBondContact O-N 2.82Å; N251-R255 VanDerWaalsContact O-CG 3.3Å; N251-R255 WeakPolarHBondContact O-CG 3.17Å; N251-R255 PolarHBondContact O-N 3.12Å
252T88.1Confident85.7Confident69 Ų6979.9 Ų79.942%0.42339%0.394SS..Hα-helixtrans-64.9-43.9174.9-55.90000111V248 K249 Y250 R255 N256V248-T252 PolarHBondContact O-N 2.82Å; V248-T252 PolarHBondContact O-OG1 2.86Å; K249-T252 PolarHBondContact O-N 3.09Å; Y250-T252 VanDerWaalsContact C-N 3.32Å; Y250-T252 PolarHBondContact O-N 2.86Å; T252-R255 PolarHBondContact O-N 3.13Å; T252-N256 VanDerWaalsContact O-CG 3.29Å; T252-N256 PolarHBondContact O-N 2.89Å; T252-N256 PolarHBondContact O-ND2 2.93Å
253Y85.1Confident85.7Confident46 Ų4683 Ų8318%0.1841%0.406CS..Hα-helixtrans-56.9-49.6172.7172.4-100.4000112.3K249 Y250 R255 N256 L257 P298 Q299 A300 P301K249-Y253 PolarHBondContact O-N 3.42Å; Y250-Y253 HydrophobicContact CD2-CD1 4.46Å; Y250-Y253 HydrophobicContact CE2-CD1 4.42Å; Y250-Y253 WeakPolarHBondContact O-CB 3.4Å; Y250-Y253 PolarHBondContact O-N 3.32Å; Y253-R255 VanDerWaalsContact C-N 3.34Å; Y253-R255 PolarHBondContact O-N 3.1Å; Y253-N256 PolarHBondContact O-N 3.2Å; Y253-N256 VanDerWaalsContact O-N 3.15Å; Y253-L257 HydrophobicContact CE1-CD1 3.92Å; Y253-L257 WeakPolarHBondContact O-CB 3.29Å; Y253-L257 PolarHBondContact O-N 3.3Å; Y253-L257 VanDerWaalsContact OH-CD1 3.32Å; Y253-L257 WeakPolarHBondContact OH-CD1 3.24Å; Y253-P298 HydrophobicContact CD2-CB 4.2Å; Y253-P298 HydrophobicContact CE2-CB 3.81Å; Y253-P298 HydrophobicContact CE2-CG 4.42Å; Y253-P298 VanDerWaalsContact CE2-O 3.27Å; Y253-P298 WeakPolarHBondContact CE2-O 3.24Å; Y253-P298 PolarHBondContact OH-O 3.35Å; Y253-Q299 WeakPolarHBondContact CD2-O 3.49Å; Y253-Q299 VanDerWaalsContact CE2-O 3.25Å; Y253-Q299 WeakPolarHBondContact CE2-O 3.3Å; Y253-A300 HydrophobicContact CE1-CB 4.19Å; Y253-A300 VanDerWaalsContact CE2-CA 3.5Å; Y253-A300 HydrophobicContact CE2-CB 4.27Å; Y253-P301 HydrophobicContact CG-CG 4.43Å
254S82.6Confident85.6Confident55 Ų5585 Ų8539%0.38541%0.414SS..Hα-helixtrans-59.6-42.8178.9-178.90000112Y250 N251 L257 S258Y250-S254 WeakPolarHBondContact O-CB 3.49Å; Y250-S254 PolarHBondContact O-N 3.35Å; N251-S254 PolarHBondContact O-N 2.82Å; S254-L257 PolarHBondContact O-N 2.89Å; S254-S258 WeakPolarHBondContact O-CB 3.36Å; S254-S258 PolarHBondContact O-N 3.07Å
255R87.3Confident85.5Confident176 Ų17687.1 Ų87.166%0.66442%0.421SS*.Hα-helixtrans-62-43.5174.5-73.3173.9-177.9-1781.7112N251 T252 Y253 K259N251-R255 VanDerWaalsContact O-CG 3.3Å; N251-R255 WeakPolarHBondContact O-CG 3.17Å; N251-R255 PolarHBondContact O-N 3.12Å; T252-R255 PolarHBondContact O-N 3.13Å; Y253-R255 VanDerWaalsContact C-N 3.34Å; Y253-R255 PolarHBondContact O-N 3.1Å; R255-K259 WeakPolarHBondContact O-CB 3.4Å; R255-K259 WeakPolarHBondContact O-CG 3.4Å; R255-K259 PolarHBondContact O-N 3.21Å
256N85.5Confident85.4Confident81 Ų8188 Ų8843%0.43343%0.425SS..Hα-helixtrans-67.1-41.4178.9-71.6-18000111.9T252 Y253 K259 Q260T252-N256 VanDerWaalsContact O-CG 3.29Å; T252-N256 PolarHBondContact O-N 2.89Å; T252-N256 PolarHBondContact O-ND2 2.93Å; Y253-N256 PolarHBondContact O-N 3.2Å; Y253-N256 VanDerWaalsContact O-N 3.15Å; N256-K259 PolarHBondContact O-N 3.44Å; N256-Q260 WeakPolarHBondContact O-CB 3.41Å; N256-Q260 PolarHBondContact O-N 3.48Å
257L84.1Confident85.3Confident44 Ų4490.3 Ų90.323%0.2343%0.432CS..Hα-helixtrans-65.1-43.8176.4-174.9144.9000111.6Y253 S254 Q260 Q261Y253-L257 HydrophobicContact CE1-CD1 3.92Å; Y253-L257 WeakPolarHBondContact O-CB 3.29Å; Y253-L257 PolarHBondContact O-N 3.3Å; Y253-L257 VanDerWaalsContact OH-CD1 3.32Å; Y253-L257 WeakPolarHBondContact OH-CD1 3.24Å; S254-L257 PolarHBondContact O-N 2.89Å; L257-Q260 PolarHBondContact O-N 2.99Å; L257-Q261 HydrophobicContact CD2-CG 4.18Å; L257-Q261 WeakPolarHBondContact O-CB 3.4Å; L257-Q261 WeakPolarHBondContact O-CG 3.17Å; L257-Q261 PolarHBondContact O-N 3.19Å
258S84.9Confident85.2Confident54 Ų5490.2 Ų90.238%0.37843%0.432SS..Hα-helixtrans-61.5-44.7175.4-178.70000111.9S254 Q260 Q261 Q262S254-S258 WeakPolarHBondContact O-CB 3.36Å; S254-S258 PolarHBondContact O-N 3.07Å; S258-Q260 PolarHBondContact O-N 3.06Å; S258-Q261 PolarHBondContact O-N 3.3Å; S258-Q262 WeakPolarHBondContact O-CG 3.42Å; S258-Q262 PolarHBondContact O-N 3.16Å
259K87.6Confident85Confident128 Ų12890.4 Ų90.456%0.55743%0.427SS*.Hα-helixtrans-60-45.1174.1-76.5177.5179.9-178.60112.1R255 N256 Q262 Q263R255-K259 WeakPolarHBondContact O-CB 3.4Å; R255-K259 WeakPolarHBondContact O-CG 3.4Å; R255-K259 PolarHBondContact O-N 3.21Å; N256-K259 PolarHBondContact O-N 3.44Å; K259-Q262 PolarHBondContact O-N 3.36Å; K259-Q263 WeakPolarHBondContact O-CG 3.48Å; K259-Q263 PolarHBondContact O-N 3.38Å
260Q83.1Confident84.8Confident44 Ų4494.2 Ų94.221%0.20644%0.438CS..Hα-helixtrans-67.9-38.3179.6-164.6-176.730.900111.9N256 L257 S258 Q263 K264 F295 K296N256-Q260 WeakPolarHBondContact O-CB 3.41Å; N256-Q260 PolarHBondContact O-N 3.48Å; L257-Q260 PolarHBondContact O-N 2.99Å; S258-Q260 PolarHBondContact O-N 3.06Å; Q260-Q263 PolarHBondContact O-N 3.1Å; Q260-K264 WeakPolarHBondContact O-CB 3.34Å; Q260-K264 PolarHBondContact O-N 3.12Å; Q260-F295 HydrophobicContact CG-CD1 3.98Å; Q260-K296 PolarHBondContact NE2-O 3.06Å; Q260-K296 PolarHBondContact OE1-O 3.03Å
261Q84.1Confident84.5Confident119 Ų11993 Ų9356%0.55643%0.433SS*.Hα-helixtrans-62.9-42.3173.2-78.1-178.6-13.900111.8L257 S258 K264 H265L257-Q261 HydrophobicContact CD2-CG 4.18Å; L257-Q261 WeakPolarHBondContact O-CB 3.4Å; L257-Q261 WeakPolarHBondContact O-CG 3.17Å; L257-Q261 PolarHBondContact O-N 3.19Å; S258-Q261 PolarHBondContact O-N 3.3Å; Q261-K264 PolarHBondContact O-N 2.9Å; Q261-H265 WeakPolarHBondContact O-CB 3.42Å; Q261-H265 PolarHBondContact O-N 3.15Å
262Q86.4Confident84.2Confident116 Ų11695.9 Ų95.954%0.54244%0.444SS..Hα-helixtrans-63-44.5174.5-75.9-179.9-700111.9S258 K259 K264 H265 Q266S258-Q262 WeakPolarHBondContact O-CG 3.42Å; S258-Q262 PolarHBondContact O-N 3.16Å; K259-Q262 PolarHBondContact O-N 3.36Å; Q262-K264 PolarHBondContact O-N 2.85Å; Q262-H265 PolarHBondContact O-N 3.49Å; Q262-Q266 WeakPolarHBondContact O-CB 3.37Å; Q262-Q266 WeakPolarHBondContact O-CG 3.27Å; Q262-Q266 PolarHBondContact O-N 3.14Å
263Q85.9Confident83.9Confident113 Ų11398.3 Ų98.353%0.52845%0.451SS..Hα-helixtrans-61.8-43175.4-73.8176.1700111.8K259 Q260 Q266 Y267 F295K259-Q263 WeakPolarHBondContact O-CG 3.48Å; K259-Q263 PolarHBondContact O-N 3.38Å; Q260-Q263 PolarHBondContact O-N 3.1Å; Q263-Q266 PolarHBondContact O-N 3Å; Q263-Y267 VanDerWaalsContact O-CB 3.26Å; Q263-Y267 WeakPolarHBondContact O-CB 3.4Å; Q263-Y267 PolarHBondContact O-N 3.06Å; Q263-F295 HydrophobicContact CB-CE1 4.19Å
264K82.5Confident83.7Confident82 Ų8299.6 Ų99.636%0.35746%0.458SS..Hα-helixtrans-61.7-43.4174.9-178178.4172.8174.10111.3Q260 Q261 Q262 Y267 L268 I291 F295Q260-K264 WeakPolarHBondContact O-CB 3.34Å; Q260-K264 PolarHBondContact O-N 3.12Å; Q261-K264 PolarHBondContact O-N 2.9Å; Q262-K264 PolarHBondContact O-N 2.85Å; K264-Y267 PolarHBondContact O-N 2.74Å; K264-L268 HydrophobicContact CG-CD1 4.04Å; K264-L268 WeakPolarHBondContact O-CB 3.36Å; K264-L268 VanDerWaalsContact O-CG 3.28Å; K264-L268 WeakPolarHBondContact O-CG 3.28Å; K264-L268 PolarHBondContact O-N 3.09Å; K264-I291 HydrophobicContact CD-CG2 4.23Å; K264-I291 HydrophobicContact CG-CG2 4.18Å; K264-F295 HydrophobicContact CB-CD2 4.44Å; K264-F295 HydrophobicContact CB-CG 4.42Å; K264-F295 HydrophobicContact CG-CD2 4.39Å
265H85.8Confident83.4Confident122 Ų12299 Ų9957%0.56545%0.451SS*.Hα-helixtrans-66.3-44.3178.7-168.875.1000112Q261 Q262 Y267 L268 Q269Q261-H265 WeakPolarHBondContact O-CB 3.42Å; Q261-H265 PolarHBondContact O-N 3.15Å; Q262-H265 PolarHBondContact O-N 3.49Å; H265-Y267 VanDerWaalsContact C-N 3.34Å; H265-Y267 PolarHBondContact O-N 3.04Å; H265-L268 PolarHBondContact O-N 3.28Å; H265-Q269 WeakPolarHBondContact O-CB 3.49Å; H265-Q269 PolarHBondContact O-N 3.35Å
266Q85.8Confident82.9Confident129 Ų12994.7 Ų94.760%0.60344%0.444SS*.Hα-helixtrans-62-41.4174.2-73.8-179.115.800111.9Q262 Q263 Q269 R270Q262-Q266 WeakPolarHBondContact O-CB 3.37Å; Q262-Q266 WeakPolarHBondContact O-CG 3.27Å; Q262-Q266 PolarHBondContact O-N 3.14Å; Q263-Q266 PolarHBondContact O-N 3Å; Q266-Q269 PolarHBondContact O-N 3.21Å; Q266-R270 WeakPolarHBondContact O-CB 3.29Å; Q266-R270 PolarHBondContact O-N 3.41Å
267Y82.6Confident82.6Confident77 Ų7796.9 Ų96.930%0.30245%0.451SS..Hα-helixtrans-62.4-46.7176.4-175.7-95.9000111.8Q263 K264 H265 R270 R271 F295Q263-Y267 VanDerWaalsContact O-CB 3.26Å; Q263-Y267 WeakPolarHBondContact O-CB 3.4Å; Q263-Y267 PolarHBondContact O-N 3.06Å; K264-Y267 PolarHBondContact O-N 2.74Å; H265-Y267 VanDerWaalsContact C-N 3.34Å; H265-Y267 PolarHBondContact O-N 3.04Å; Y267-R270 PolarHBondContact O-N 2.88Å; Y267-R271 HydrophobicContact CD1-CG 4.17Å; Y267-R271 HydrophobicContact CE1-CG 3.8Å; Y267-R271 WeakPolarHBondContact O-CB 3.4Å; Y267-R271 WeakPolarHBondContact O-CG 3.4Å; Y267-R271 PolarHBondContact O-N 3.45Å; Y267-R271 PolarHBondContact OH-NE 2.87Å; Y267-R271 VanDerWaalsContact OH-NE 3.13Å; Y267-R271 PolarHBondContact OH-NH2 2.99Å; Y267-F295 HydrophobicContact CD1-CE2 4.19Å; Y267-F295 HydrophobicContact CG-CE2 4.19Å; Y267-F295 HydrophobicContact CG-CZ 4.38Å
268L82.1Confident82Confident68 Ų6898.3 Ų98.336%0.35645%0.454SS..Hα-helixtrans-60.7-45.4175.8-78.2167.7000111.8K264 H265 R270 R271 Q272 I291K264-L268 HydrophobicContact CG-CD1 4.04Å; K264-L268 WeakPolarHBondContact O-CB 3.36Å; K264-L268 VanDerWaalsContact O-CG 3.28Å; K264-L268 WeakPolarHBondContact O-CG 3.28Å; K264-L268 PolarHBondContact O-N 3.09Å; H265-L268 PolarHBondContact O-N 3.28Å; L268-R270 PolarHBondContact O-N 3.45Å; L268-R271 PolarHBondContact O-N 3.4Å; L268-Q272 WeakPolarHBondContact O-CB 3.37Å; L268-Q272 PolarHBondContact O-N 3.04Å; L268-I291 HydrophobicContact CD2-CD1 3.67Å; L268-I291 HydrophobicContact CD2-CG1 4.45Å
269Q84.3Confident81.3Confident95 Ų95102 Ų10244%0.44447%0.465SS..Hα-helixtrans-64.3-41.2179.7-166.3176.936.100111.5H265 Q266 Q272 Q273H265-Q269 WeakPolarHBondContact O-CB 3.49Å; H265-Q269 PolarHBondContact O-N 3.35Å; Q266-Q269 PolarHBondContact O-N 3.21Å; Q269-Q272 PolarHBondContact O-N 2.98Å; Q269-Q273 WeakPolarHBondContact O-CG 3.32Å; Q269-Q273 PolarHBondContact O-N 3.26Å
270R83.6Confident80.5Confident192 Ų192100.7 Ų100.773%0.72547%0.472SS*.Hα-helixtrans-66.1-42.8176.6-165.6173.8-178.4175.80.1111.8Q266 Y267 L268 Q273 E274Q266-R270 WeakPolarHBondContact O-CB 3.29Å; Q266-R270 PolarHBondContact O-N 3.41Å; Y267-R270 PolarHBondContact O-N 2.88Å; L268-R270 PolarHBondContact O-N 3.45Å; R270-Q273 PolarHBondContact O-N 2.98Å; R270-E274 WeakPolarHBondContact O-CB 3.42Å; R270-E274 PolarHBondContact O-N 2.99Å
271R76.1Confident80Confident69 Ų69108 Ų10826%0.2650%0.497SS..Hα-helixtrans-61.4-42.2173.4-80.9-79.3-170.3158.60.8112Y267 L268 E274 N275Y267-R271 HydrophobicContact CD1-CG 4.17Å; Y267-R271 HydrophobicContact CE1-CG 3.8Å; Y267-R271 WeakPolarHBondContact O-CB 3.4Å; Y267-R271 WeakPolarHBondContact O-CG 3.4Å; Y267-R271 PolarHBondContact O-N 3.45Å; Y267-R271 PolarHBondContact OH-NE 2.87Å; Y267-R271 VanDerWaalsContact OH-NE 3.13Å; Y267-R271 PolarHBondContact OH-NH2 2.99Å; L268-R271 PolarHBondContact O-N 3.4Å; R271-E274 PolarHBondContact O-N 2.97Å; R271-N275 WeakPolarHBondContact O-CB 3.46Å; R271-N275 PolarHBondContact O-N 3.43Å
272Q81.3Confident78.8Confident135 Ų135105.7 Ų105.763%0.63151%0.506SS*.Hα-helixtrans-65.6-41.7178.4-167.1174.720.700111.5L268 Q269 N275 T276L268-Q272 WeakPolarHBondContact O-CB 3.37Å; L268-Q272 PolarHBondContact O-N 3.04Å; Q269-Q272 PolarHBondContact O-N 2.98Å; Q272-N275 PolarHBondContact O-N 3.39Å; Q272-T276 PolarHBondContact O-N 2.92Å; Q272-T276 PolarHBondContact O-OG1 3.45Å
273Q82.2Confident77.6Confident120 Ų120105.4 Ų105.456%0.56150%0.504SS*.Hα-helixtrans-62.8-41.7174.3-72.9173.6500112.3Q269 R270 T276 Q277Q269-Q273 WeakPolarHBondContact O-CG 3.32Å; Q269-Q273 PolarHBondContact O-N 3.26Å; R270-Q273 PolarHBondContact O-N 2.98Å; Q273-T276 PolarHBondContact O-N 2.86Å; Q273-Q277 PolarHBondContact O-N 3.37Å
274E79.6Confident76.1Confident72 Ų72105.2 Ų105.234%0.33651%0.513SS..Hα-helixtrans-67.4-40.7178-161.1-178.1163.300111.9R270 R271 Q277 R278R270-E274 WeakPolarHBondContact O-CB 3.42Å; R270-E274 PolarHBondContact O-N 2.99Å; R271-E274 PolarHBondContact O-N 2.97Å; E274-Q277 PolarHBondContact O-N 3.42Å; E274-R278 WeakPolarHBondContact O-CG 3.48Å; E274-R278 PolarHBondContact O-N 3.21Å; E274-R278 IonicContact OE1-CZ 3.56Å; E274-R278 IonicContact OE1-NE 3.46Å; E274-R278 PolarHBondContact OE1-NE 3.49Å; E274-R278 IonicContact OE1-NH2 2.8Å; E274-R278 PolarHBondContact OE1-NH2 3.42Å
275N76Confident75Confident44 Ų44104.9 Ų104.924%0.23552%0.519CS..Hα-helixtrans-64.7-40.8175.4-80.3-8.1000112.2R271 Q272 Q277 R278 Q279R271-N275 WeakPolarHBondContact O-CB 3.46Å; R271-N275 PolarHBondContact O-N 3.43Å; Q272-N275 PolarHBondContact O-N 3.39Å; N275-Q277 VanDerWaalsContact C-N 3.34Å; N275-Q277 PolarHBondContact O-N 3.28Å; N275-R278 PolarHBondContact O-N 3.41Å; N275-Q279 PolarHBondContact O-N 3.36Å
276T78.6Confident73.6Confident85 Ų85101.7 Ų101.752%0.52151%0.506SS..Hα-helixtrans-64.5-38.4174.8-52.50000111.6Q272 Q273 S280Q272-T276 PolarHBondContact O-N 2.92Å; Q272-T276 PolarHBondContact O-OG1 3.45Å; Q273-T276 PolarHBondContact O-N 2.86Å; T276-S280 PolarHBondContact O-N 2.83Å; T276-S280 VanDerWaalsContact O-N 3.11Å
277Q78.5Confident72.1Confident126 Ų126100.2 Ų100.259%0.58951%0.508SS*.Hα-helixtrans-65.2-42.5174-99.6-177.78.800112.5Q273 E274 N275 S280 R281Q273-Q277 PolarHBondContact O-N 3.37Å; E274-Q277 PolarHBondContact O-N 3.42Å; N275-Q277 VanDerWaalsContact C-N 3.34Å; N275-Q277 PolarHBondContact O-N 3.28Å; Q277-S280 PolarHBondContact O-N 2.92Å; Q277-S280 PolarHBondContact O-OG 3.37Å; Q277-R281 PolarHBondContact O-N 2.92Å
278R70.9Confident70.7Confident75 Ų75105.9 Ų105.928%0.28354%0.537SS..Hα-helixtrans-67.8-35.9177.8-70.5-177.5-172.4-134.56.7112.7E274 N275 S280 R281 G282 E283E274-R278 WeakPolarHBondContact O-CG 3.48Å; E274-R278 PolarHBondContact O-N 3.21Å; E274-R278 IonicContact OE1-CZ 3.56Å; E274-R278 IonicContact OE1-NE 3.46Å; E274-R278 PolarHBondContact OE1-NE 3.49Å; E274-R278 IonicContact OE1-NH2 2.8Å; E274-R278 PolarHBondContact OE1-NH2 3.42Å; N275-R278 PolarHBondContact O-N 3.41Å; R278-S280 VanDerWaalsContact C-N 3.35Å; R278-S280 PolarHBondContact O-N 3.36Å; R278-R281 CarbonylContact O-C 3.56Å; R278-R281 PolarHBondContact O-N 3.23Å; R278-R281 VanDerWaalsContact O-N 3.07Å; R278-G282 PolarHBondContact O-N 2.91Å; R278-G282 VanDerWaalsContact O-N 3.1Å; R278-E283 PolarHBondContact O-N 3.05Å
279Q70.3Confident69.2Low132 Ų132109.3 Ų109.362%0.61755%0.551SS**Hα-helixtrans-61.8-40170.8-89.8175-1400112.6N275 R281 G282N275-Q279 PolarHBondContact O-N 3.36Å; Q279-R281 PolarHBondContact O-N 3.45Å; Q279-G282 PolarHBondContact O-N 2.98Å
280S71.3Confident67.8Low99 Ų99109.2 Ų109.269%0.69255%0.554SS**Hα-helixtrans-65.8-20.3174.676.30000113.5T276 Q277 R278T276-S280 PolarHBondContact O-N 2.83Å; T276-S280 VanDerWaalsContact O-N 3.11Å; Q277-S280 PolarHBondContact O-N 2.92Å; Q277-S280 PolarHBondContact O-OG 3.37Å; R278-S280 VanDerWaalsContact C-N 3.35Å; R278-S280 PolarHBondContact O-N 3.36Å
281R73.2Confident66.3Low197 Ų197103 Ų10374%0.74353%0.534SS*.THydrogen-bonded Turntrans-97.1-2.9177.2-68.7-177177.4-167.90.1114Q277 R278 Q279Q277-R281 PolarHBondContact O-N 2.92Å; R278-R281 CarbonylContact O-C 3.56Å; R278-R281 PolarHBondContact O-N 3.23Å; R278-R281 VanDerWaalsContact O-N 3.07Å; Q279-R281 PolarHBondContact O-N 3.45Å
282G58Low65.3Low71 Ų71104.1 Ų104.173%0.73255%0.553SS**THydrogen-bonded Turntrans77.614.6177.600000115.8R278 Q279R278-G282 PolarHBondContact O-N 2.91Å; R278-G282 VanDerWaalsContact O-N 3.1Å; Q279-G282 PolarHBondContact O-N 2.98Å
283E61.3Low64.2Low110 Ų110105.5 Ų105.551%0.51456%0.557SS.*PPolyproline II helixtrans-93.5149.4176-74.4-179.8-178.900112R278R278-E283 PolarHBondContact O-N 3.05Å
284P54.7Low63Low109 Ų109105 Ų10571%0.70856%0.558SS**PPolyproline II helixtrans-65141.2179.124.7-31.5000111.8
285P58.5Low62.1Low75 Ų75103.3 Ų103.349%0.48755%0.549SS..PPolyproline II helixtrans-65.1150.7-178.125.4-32.3000112.2
286L56.8Low61.6Low55 Ų55109.6 Ų109.629%0.28857%0.574SS.*PPolyproline II helixtrans-63.5142.5178.2-81.8158.9000111.2
287P54.2Low60.9Low99 Ų99110.1 Ų110.164%0.64358%0.579SS**PPolyproline II helixtrans-61.4143.6-179.5-2031000112.8E289P287-E289 VanDerWaalsContact C-N 3.26Å; P287-E289 PolarHBondContact O-N 3.32Å
288E52.8Low60.2Low195 Ų195106 Ų10691%0.91156%0.563SS**  trans-71.277.4173.4-63.9-174.3164.600110.1D290E288-D290 PolarHBondContact O-N 3.23Å
289E51.1Low60Low141 Ų141111.1 Ų111.166%0.65959%0.591SS**  trans-64.9124.9165.5-76-165.4128.400109.1P287 I291P287-E289 VanDerWaalsContact C-N 3.26Å; P287-E289 PolarHBondContact O-N 3.32Å; E289-I291 PolarHBondContact O-N 2.93Å
290D54.8Low59.7Low92 Ų92106.1 Ų106.149%0.49257%0.572SS.*  trans-43.399.9-176.9-74.5-45.1000111.8E288 S292 K293E288-D290 PolarHBondContact O-N 3.23Å; D290-S292 PolarHBondContact O-N 3.31Å; D290-K293 HydrophobicContact CB-CB 4.27Å; D290-K293 HydrophobicContact CB-CD 4.05Å; D290-K293 HydrophobicContact CB-CG 3.98Å; D290-K293 PolarHBondContact O-N 3.44Å; D290-K293 IonicContact OD2-NZ 2.78Å; D290-K293 PolarHBondContact OD2-NZ 3.35Å
291I53Low59.5Low61 Ų61103.2 Ų103.231%0.31355%0.55SS.*Hα-helixtrans-54.9-23.7175.3-63.8145000111K264 L268 E289 F295K264-I291 HydrophobicContact CD-CG2 4.23Å; K264-I291 HydrophobicContact CG-CG2 4.18Å; L268-I291 HydrophobicContact CD2-CD1 3.67Å; L268-I291 HydrophobicContact CD2-CG1 4.45Å; E289-I291 PolarHBondContact O-N 2.93Å; I291-F295 HydrophobicContact CG2-CD2 4.23Å; I291-F295 PolarHBondContact O-N 2.85Å
292S54.6Low59.2Low94 Ų9497.2 Ų97.266%0.65754%0.537SS*.Hα-helixtrans-70.9-23.2174.6-60.30000114.5D290D290-S292 PolarHBondContact O-N 3.31Å
293K57.6Low59.8Low163 Ų16397.7 Ų97.771%0.70952%0.517SS*.Hα-helixtrans-82.7-32174.8-74.6178.3-178.8138.30112.5D290D290-K293 HydrophobicContact CB-CB 4.27Å; D290-K293 HydrophobicContact CB-CD 4.05Å; D290-K293 HydrophobicContact CB-CG 3.98Å; D290-K293 PolarHBondContact O-N 3.44Å; D290-K293 IonicContact OD2-NZ 2.78Å; D290-K293 PolarHBondContact OD2-NZ 3.35Å
294L57.9Low60.1Low111 Ų11193.7 Ų93.758%0.58150%0.498SS*.Hα-helixtrans-80.5-39179.4-111.582.1000113.3
295F60.1Low61Low36 Ų3690.8 Ų90.816%0.15848%0.477CS..SBendtrans-111.777.7-179.5-64.8-81.3000110.2Q260 Q263 K264 Y267 I291 P297Q260-F295 HydrophobicContact CG-CD1 3.98Å; Q263-F295 HydrophobicContact CB-CE1 4.19Å; K264-F295 HydrophobicContact CB-CD2 4.44Å; K264-F295 HydrophobicContact CB-CG 4.42Å; K264-F295 HydrophobicContact CG-CD2 4.39Å; Y267-F295 HydrophobicContact CD1-CE2 4.19Å; Y267-F295 HydrophobicContact CG-CE2 4.19Å; Y267-F295 HydrophobicContact CG-CZ 4.38Å; I291-F295 HydrophobicContact CG2-CD2 4.23Å; I291-F295 PolarHBondContact O-N 2.85Å; F295-P297 WeakPolarHBondContact O-CD 3.29Å
296K64.8Low61.8Low176 Ų17689.4 Ų89.477%0.76547%0.467SS*.PPolyproline II helixtrans-64.9118.5173.6-159.5171.4-173179.60108.5Q260Q260-K296 PolarHBondContact NE2-O 3.06Å; Q260-K296 PolarHBondContact OE1-O 3.03Å
297P64Low62.8Low95 Ų9588.2 Ų88.262%0.61746%0.461SS*.PPolyproline II helixtrans-60.1141.3-179.521.3-28.4000109.2F295 Q299F295-P297 WeakPolarHBondContact O-CD 3.29Å; P297-Q299 PolarHBondContact O-N 3.49Å
298P65Low64Low40 Ų4083.8 Ų83.826%0.2643%0.432SS..PPolyproline II helixtrans-67.1140.5-179.6-5.225.8000106.6Y253 A300Y253-P298 HydrophobicContact CD2-CB 4.2Å; Y253-P298 HydrophobicContact CE2-CB 3.81Å; Y253-P298 HydrophobicContact CE2-CG 4.42Å; Y253-P298 VanDerWaalsContact CE2-O 3.27Å; Y253-P298 WeakPolarHBondContact CE2-O 3.24Å; Y253-P298 PolarHBondContact OH-O 3.35Å; P298-A300 PolarHBondContact O-N 3.09Å
299Q65.9Low65.3Low183 Ų18375.4 Ų75.486%0.85539%0.393SS*.PPolyproline II helixtrans-65.6126.7178.2-171.3175.7-0.800108.9Y253 P297Y253-Q299 WeakPolarHBondContact CD2-O 3.49Å; Y253-Q299 VanDerWaalsContact CE2-O 3.25Å; Y253-Q299 WeakPolarHBondContact CE2-O 3.3Å; P297-Q299 PolarHBondContact O-N 3.49Å
300A65.1Low66.7Low27 Ų2770.3 Ų70.322%0.22338%0.375CS..PPolyproline II helixtrans-65.7139.5176.900000109.8T174 Y253 P298T174-A300 HydrophobicContact CG2-CB 3.59Å; Y253-A300 HydrophobicContact CE1-CB 4.19Å; Y253-A300 VanDerWaalsContact CE2-CA 3.5Å; Y253-A300 HydrophobicContact CE2-CB 4.27Å; P298-A300 PolarHBondContact O-N 3.09Å
301P66.9Low67.8Low37 Ų3766.6 Ų66.624%0.2436%0.359CS..PPolyproline II helixtrans-59.7140.8170.224-30.8000109.4Y250 Y253 R303Y250-P301 HydrophobicContact CD2-CG 4.16Å; Y253-P301 HydrophobicContact CG-CG 4.43Å; P301-R303 PolarHBondContact O-N 2.71Å
302P66.8Low69.2Low71 Ų7164.3 Ų64.346%0.46135%0.347SS..PPolyproline II helixtrans-61.4121.7179.324.9-32.4000109.7M304P302-M304 VanDerWaalsContact C-N 3.3Å
303R69.2Low70.6Confident81 Ų8161.2 Ų61.231%0.30632%0.322SS..Hα-helixtrans-80.3-10.7-178.9-77.2-174.3174.1-174.5-5.4113.9T174 L177 Y250 P301 T306 L307T174-R303 HydrophobicContact CG2-CG 4.08Å; L177-R303 HydrophobicContact CD2-CB 3.76Å; Y250-R303 PolarHBondContact OH-NH2 2.94Å; Y250-R303 VanDerWaalsContact OH-NH2 3.12Å; P301-R303 PolarHBondContact O-N 2.71Å; R303-T306 PolarHBondContact O-N 3.29Å; R303-L307 PolarHBondContact O-N 3.47Å
304M68.4Low71.8Confident26 Ų2655.7 Ų55.713%0.12830%0.301CS..Hα-helixtrans-63.2-43.8-178.7-179.5170.961.700111.7L124 F172 P302 T306 L307 L308L124-M304 HydrophobicContact CD2-SD 4.17Å; F172-M304 HydrophobicContact CD1-CB 4.44Å; F172-M304 HydrophobicContact CD1-CE 3.67Å; F172-M304 HydrophobicContact CD1-SD 3.51Å; F172-M304 VanDerWaalsContact CD1-SD 3.51Å; F172-M304 HydrophobicContact CE1-CE 3.49Å; F172-M304 VanDerWaalsContact CE1-CE 3.49Å; F172-M304 HydrophobicContact CE1-SD 3.2Å; F172-M304 WeakPolarHBondContact CE1-SD 3.44Å; F172-M304 HydrophobicContact CG-CE 4.34Å; F172-M304 HydrophobicContact CZ-CE 3.98Å; F172-M304 HydrophobicContact CZ-SD 4.14Å; P302-M304 VanDerWaalsContact C-N 3.3Å; M304-T306 VanDerWaalsContact C-N 3.32Å; M304-T306 PolarHBondContact O-N 3.47Å; M304-L307 PolarHBondContact O-N 3.26Å; M304-L307 VanDerWaalsContact O-N 3.12Å; M304-L308 HydrophobicContact CG-CD1 4.04Å; M304-L308 HydrophobicContact CG-CG 4.37Å; M304-L308 WeakPolarHBondContact O-CG 3.33Å; M304-L308 PolarHBondContact O-N 2.86Å
305D73Confident73Confident48 Ų4851 Ų5126%0.25728%0.276SS..Hα-helixtrans-63.1-42.7179.1-64.7-33.2000111.1R121 L307 L308 I309R121-D305 IonicContact CZ-OD1 2.76Å; R121-D305 IonicContact CZ-OD2 3.16Å; R121-D305 IonicContact NE-OD1 3.8Å; R121-D305 PolarHBondContact NE-OD1 2.86Å; R121-D305 VanDerWaalsContact NE-OD1 3.14Å; R121-D305 IonicContact NH2-OD1 3.91Å; R121-D305 PolarHBondContact NH2-OD1 3.33Å; R121-D305 IonicContact NH2-OD2 2.61Å; R121-D305 PolarHBondContact NH2-OD2 3.1Å; D305-L307 VanDerWaalsContact C-N 3.3Å; D305-L307 PolarHBondContact O-N 3.06Å; D305-L308 PolarHBondContact O-N 2.82Å; D305-I309 WeakPolarHBondContact O-CB 3.45Å; D305-I309 WeakPolarHBondContact O-CD1 3.32Å; D305-I309 WeakPolarHBondContact O-CG1 3.38Å; D305-I309 PolarHBondContact O-N 3.18Å
306T76.9Confident74.1Confident46 Ų4649.4 Ų49.428%0.28227%0.269SS..Hα-helixtrans-61.1-38174.4-46.10000112.3L243 R303 M304 A310L243-T306 HydrophobicContact CD1-CG2 3.72Å; R303-T306 PolarHBondContact O-N 3.29Å; M304-T306 VanDerWaalsContact C-N 3.32Å; M304-T306 PolarHBondContact O-N 3.47Å; T306-A310 WeakPolarHBondContact O-CB 3.39Å; T306-A310 PolarHBondContact O-N 3.27Å
307L76.4Confident75Confident30 Ų3043.1 Ų43.116%0.15725%0.247CC..Hα-helixtrans-69.4-40.8177.1-170.867.8000111.8L177 F184 M187 R303 M304 D305 A310 G311L177-L307 HydrophobicContact CD1-CD2 4.19Å; F184-L307 HydrophobicContact CB-CD1 3.99Å; M187-L307 HydrophobicContact CG-CD2 4.02Å; M187-L307 HydrophobicContact CG-CG 4.48Å; M187-L307 HydrophobicContact SD-CB 4.48Å; M187-L307 HydrophobicContact SD-CD2 3.46Å; M187-L307 WeakPolarHBondContact SD-CD2 3.05Å; M187-L307 HydrophobicContact SD-CG 3.59Å; M187-L307 VanDerWaalsContact SD-CG 3.59Å; R303-L307 PolarHBondContact O-N 3.47Å; M304-L307 PolarHBondContact O-N 3.26Å; M304-L307 VanDerWaalsContact O-N 3.12Å; D305-L307 VanDerWaalsContact C-N 3.3Å; D305-L307 PolarHBondContact O-N 3.06Å; L307-A310 PolarHBondContact O-N 2.97Å; L307-G311 PolarHBondContact O-N 2.96Å
308L78.9Confident76Confident6 Ų642.2 Ų42.23%0.03123%0.234CC..Hα-helixtrans-63-45.8175.1-70.2169.5000111.1V119 R121 L124 M187 M304 D305 A310 G311 Q312V119-L308 HydrophobicContact CG1-CB 4.42Å; V119-L308 HydrophobicContact CG1-CD2 3.52Å; R121-L308 HydrophobicContact CB-CD1 4.33Å; L124-L308 HydrophobicContact CD1-CD2 4.23Å; M187-L308 HydrophobicContact CE-CD2 3.5Å; M187-L308 HydrophobicContact CE-CG 4.43Å; M187-L308 HydrophobicContact SD-CD2 4.41Å; M304-L308 HydrophobicContact CG-CD1 4.04Å; M304-L308 HydrophobicContact CG-CG 4.37Å; M304-L308 WeakPolarHBondContact O-CG 3.33Å; M304-L308 PolarHBondContact O-N 2.86Å; D305-L308 PolarHBondContact O-N 2.82Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 3.08Å; L308-G311 PolarHBondContact O-N 3.41Å; L308-Q312 WeakPolarHBondContact O-CG 3.35Å; L308-Q312 PolarHBondContact O-N 3.25Å
309I80.8Confident76.7Confident20 Ų2040.9 Ų40.910%0.10323%0.225CC..Hα-helixtrans-61.4-42.9176.3-65.3161.6000110.5R239 D242 L243 D305 G311 Q312 I313R239-I309 HydrophobicContact CB-CG2 4.49Å; R239-I309 WeakPolarHBondContact O-CG2 3.32Å; D242-I309 HydrophobicContact CB-CD1 4.22Å; L243-I309 HydrophobicContact CB-CG2 3.9Å; L243-I309 HydrophobicContact CD1-CG2 4.38Å; D305-I309 WeakPolarHBondContact O-CB 3.45Å; D305-I309 WeakPolarHBondContact O-CD1 3.32Å; D305-I309 WeakPolarHBondContact O-CG1 3.38Å; D305-I309 PolarHBondContact O-N 3.18Å; I309-G311 VanDerWaalsContact C-N 3.34Å; I309-G311 PolarHBondContact O-N 3Å; I309-Q312 WeakPolarHBondContact O-CB 3.47Å; I309-Q312 PolarHBondContact O-N 3.04Å; I309-I313 HydrophobicContact CG2-CD1 3.89Å; I309-I313 HydrophobicContact CG2-CG1 4.46Å; I309-I313 VanDerWaalsContact O-CG1 3.31Å; I309-I313 WeakPolarHBondContact O-CG1 3.2Å; I309-I313 PolarHBondContact O-N 3.44Å
310A80.1Confident77.6Confident33 Ų3333.7 Ų33.727%0.27319%0.193SC..Hα-helixtrans-62.2-40.6175.100000112.4T306 L307 L308 I313 N314T306-A310 WeakPolarHBondContact O-CB 3.39Å; T306-A310 PolarHBondContact O-N 3.27Å; L307-A310 PolarHBondContact O-N 2.97Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 3.08Å; A310-I313 PolarHBondContact O-N 3.44Å; A310-N314 PolarHBondContact O-N 2.89Å
311G78.8Confident78.6Confident15 Ų1539.2 Ų39.216%0.15521%0.212CC..Hα-helixtrans-61.8-43.3173.500000112.6L307 L308 I309 N314 N315L307-G311 PolarHBondContact O-N 2.96Å; L308-G311 PolarHBondContact O-N 3.41Å; I309-G311 VanDerWaalsContact C-N 3.34Å; I309-G311 PolarHBondContact O-N 3Å; G311-N314 PolarHBondContact O-N 2.98Å; G311-N315 PolarHBondContact O-N 3.43Å
312Q81.8Confident79.4Confident13 Ų1341.9 Ų41.96%0.06122%0.222CC..Hα-helixtrans-60.9-48174.2-72.2-175.44.600111.9V119 L308 I309 N314 N315 Y316V119-Q312 HydrophobicContact CB-CG 3.7Å; V119-Q312 HydrophobicContact CG1-CG 4.44Å; V119-Q312 HydrophobicContact CG2-CG 4.46Å; V119-Q312 PolarHBondContact O-NE2 2.97Å; L308-Q312 WeakPolarHBondContact O-CG 3.35Å; L308-Q312 PolarHBondContact O-N 3.25Å; I309-Q312 WeakPolarHBondContact O-CB 3.47Å; I309-Q312 PolarHBondContact O-N 3.04Å; Q312-N314 VanDerWaalsContact C-N 3.28Å; Q312-N314 PolarHBondContact O-N 2.98Å; Q312-N315 WeakPolarHBondContact O-CB 3.48Å; Q312-N315 PolarHBondContact O-N 3.14Å; Q312-N315 VanDerWaalsContact O-N 3.07Å; Q312-Y316 HydrophobicContact CB-CD2 4.5Å; Q312-Y316 HydrophobicContact CB-CE2 4.3Å; Q312-Y316 WeakPolarHBondContact O-CD2 3.46Å; Q312-Y316 PolarHBondContact O-N 2.84Å
313I83.6Confident80.2Confident28 Ų2839.3 Ų39.314%0.14420%0.203CC..Hα-helixtrans-57.3-43.4178-71.7166.5000110.7L236 R239 V240 L243 I309 A310 Y316 C317L236-I313 HydrophobicContact CD1-CB 4.36Å; L236-I313 HydrophobicContact CD1-CG1 4.2Å; L236-I313 HydrophobicContact CD1-CG2 4.02Å; R239-I313 HydrophobicContact CB-CG1 4.15Å; V240-I313 HydrophobicContact CG2-CD1 4.15Å; V240-I313 HydrophobicContact CG2-CG1 4.46Å; L243-I313 HydrophobicContact CB-CD1 4.26Å; L243-I313 HydrophobicContact CD2-CD1 3.75Å; I309-I313 HydrophobicContact CG2-CD1 3.89Å; I309-I313 HydrophobicContact CG2-CG1 4.46Å; I309-I313 VanDerWaalsContact O-CG1 3.31Å; I309-I313 WeakPolarHBondContact O-CG1 3.2Å; I309-I313 PolarHBondContact O-N 3.44Å; A310-I313 PolarHBondContact O-N 3.44Å; I313-Y316 PolarHBondContact O-N 3.23Å; I313-C317 WeakPolarHBondContact O-CB 3.49Å; I313-C317 PolarHBondContact O-N 3.27Å; I313-C317 PolarHBondContact O-SG 3.23Å
314N83.9Confident80.8Confident48 Ų4838.9 Ų38.926%0.25721%0.21SC..Hα-helixtrans-62.7-42.3176-172.743.6000111.9F184 A310 G311 Q312 C317 Q318F184-N314 HydrophobicContact CD2-CB 4.25Å; F184-N314 HydrophobicContact CE2-CB 4.34Å; A310-N314 PolarHBondContact O-N 2.89Å; G311-N314 PolarHBondContact O-N 2.98Å; Q312-N314 VanDerWaalsContact C-N 3.28Å; Q312-N314 PolarHBondContact O-N 2.98Å; N314-C317 WeakPolarHBondContact O-CB 3.43Å; N314-C317 PolarHBondContact O-N 3.34Å; N314-Q318 WeakPolarHBondContact O-CG 3.05Å; N314-Q318 PolarHBondContact O-N 2.91Å
315N82.3Confident81.7Confident12 Ų1241.6 Ų41.66%0.06423%0.231CC..Hα-helixtrans-62.6-44.3177-160-84.2000111.7F118 Y157 G311 Q312 C317 Q318 N319F118-N315 WeakPolarHBondContact CE1-ND2 3Å; F118-N315 WeakPolarHBondContact CE1-OD1 3.28Å; F118-N315 VanDerWaalsContact CZ-ND2 3.32Å; F118-N315 WeakPolarHBondContact CZ-ND2 2.78Å; Y157-N315 PolarHBondContact OH-ND2 2.97Å; G311-N315 PolarHBondContact O-N 3.43Å; Q312-N315 WeakPolarHBondContact O-CB 3.48Å; Q312-N315 PolarHBondContact O-N 3.14Å; Q312-N315 VanDerWaalsContact O-N 3.07Å; N315-C317 VanDerWaalsContact C-N 3.32Å; N315-C317 PolarHBondContact O-N 3.44Å; N315-Q318 PolarHBondContact O-N 3.27Å; N315-N319 WeakPolarHBondContact O-CB 3.47Å; N315-N319 PolarHBondContact O-N 3.3Å; N315-N319 PolarHBondContact O-ND2 2.88Å; N315-N319 PolarHBondContact OD1-ND2 3.05Å
316Y83Confident82.2Confident3 Ų343.2 Ų43.21%0.01224%0.237CC..Hα-helixtrans-58.2-44.4172.2-73.9-59.7000111.7Y115 S117 L235 L236 R239 Q312 I313 Q318 N319 V320Y115-Y316 WeakPolarHBondContact O-CE1 3.26Å; S117-Y316 WeakPolarHBondContact CB-OH 3.44Å; L235-Y316 HydrophobicContact CB-CE1 4.14Å; L236-Y316 HydrophobicContact CD1-CD2 4.31Å; L236-Y316 HydrophobicContact CD1-CG 4.44Å; R239-Y316 HydrophobicContact CG-CE2 3.95Å; Q312-Y316 HydrophobicContact CB-CD2 4.5Å; Q312-Y316 HydrophobicContact CB-CE2 4.3Å; Q312-Y316 WeakPolarHBondContact O-CD2 3.46Å; Q312-Y316 PolarHBondContact O-N 2.84Å; I313-Y316 PolarHBondContact O-N 3.23Å; Y316-Q318 PolarHBondContact O-N 3.18Å; Y316-N319 PolarHBondContact O-N 3.48Å; Y316-V320 WeakPolarHBondContact O-CB 3.5Å; Y316-V320 VanDerWaalsContact O-CG2 3.24Å; Y316-V320 WeakPolarHBondContact O-CG2 3.4Å; Y316-V320 PolarHBondContact O-N 2.99Å
317C84.1Confident82.5Confident44 Ų4442.3 Ų42.330%0.29723%0.231SC..Hα-helixtrans-63.5-42.1178.5-71.10000112.3I313 N314 N315 K321I313-C317 WeakPolarHBondContact O-CB 3.49Å; I313-C317 PolarHBondContact O-N 3.27Å; I313-C317 PolarHBondContact O-SG 3.23Å; N314-C317 WeakPolarHBondContact O-CB 3.43Å; N314-C317 PolarHBondContact O-N 3.34Å; N315-C317 VanDerWaalsContact C-N 3.32Å; N315-C317 PolarHBondContact O-N 3.44Å; C317-K321 WeakPolarHBondContact O-CB 3.49Å; C317-K321 WeakPolarHBondContact O-CD 3.39Å; C317-K321 WeakPolarHBondContact O-CG 2.96Å; C317-K321 PolarHBondContact O-N 3.04Å
318Q84.2Confident82.9Confident75 Ų7545.1 Ų45.135%0.3525%0.245SC..Hα-helixtrans-63.9-46.9175.4-72.9179-800111.1N314 N315 Y316 V320 K321 E322N314-Q318 WeakPolarHBondContact O-CG 3.05Å; N314-Q318 PolarHBondContact O-N 2.91Å; N315-Q318 PolarHBondContact O-N 3.27Å; Y316-Q318 PolarHBondContact O-N 3.18Å; Q318-V320 PolarHBondContact O-N 3.29Å; Q318-K321 WeakPolarHBondContact O-CB 3.42Å; Q318-K321 PolarHBondContact O-N 3.01Å; Q318-E322 WeakPolarHBondContact O-CG 3.43Å; Q318-E322 PolarHBondContact O-N 3.39Å
319N81.6Confident83.2Confident13 Ų1346.2 Ų46.27%0.0726%0.258CS..Hα-helixtrans-61.3-43.6178.6-66.9-23.3000112.1K146 K155 N315 Y316 E322 F323K146-N319 PolarHBondContact NZ-ND2 3.5Å; K146-N319 VanDerWaalsContact NZ-ND2 3.16Å; K146-N319 PolarHBondContact NZ-OD1 3.17Å; K155-N319 PolarHBondContact NZ-OD1 3.14Å; N315-N319 WeakPolarHBondContact O-CB 3.47Å; N315-N319 PolarHBondContact O-N 3.3Å; N315-N319 PolarHBondContact O-ND2 2.88Å; N315-N319 PolarHBondContact OD1-ND2 3.05Å; Y316-N319 PolarHBondContact O-N 3.48Å; N319-E322 PolarHBondContact O-N 3.49Å; N319-F323 VanDerWaalsContact O-CB 3.24Å; N319-F323 WeakPolarHBondContact O-CB 3.22Å; N319-F323 PolarHBondContact O-N 3.23Å
320V84.1Confident83.4Confident31 Ų3146 Ų4619%0.18826%0.257CS..Hα-helixtrans-65-42176.4171.30000110.5L229 Y316 Q318 F323 T324L229-V320 HydrophobicContact CD1-CG1 4.1Å; Y316-V320 WeakPolarHBondContact O-CB 3.5Å; Y316-V320 VanDerWaalsContact O-CG2 3.24Å; Y316-V320 WeakPolarHBondContact O-CG2 3.4Å; Y316-V320 PolarHBondContact O-N 2.99Å; Q318-V320 PolarHBondContact O-N 3.29Å; V320-F323 PolarHBondContact O-N 3.37Å; V320-T324 WeakPolarHBondContact O-CB 3.37Å; V320-T324 PolarHBondContact O-N 3.25Å; V320-T324 PolarHBondContact O-OG1 3.1Å
321K86.1Confident83.7Confident144 Ų14449.1 Ų49.163%0.62627%0.268SS*.Hα-helixtrans-60.6-47.6175.7-75.5169.5-174.3176.80112.1C317 Q318 T324 S325C317-K321 WeakPolarHBondContact O-CB 3.49Å; C317-K321 WeakPolarHBondContact O-CD 3.39Å; C317-K321 WeakPolarHBondContact O-CG 2.96Å; C317-K321 PolarHBondContact O-N 3.04Å; Q318-K321 WeakPolarHBondContact O-CB 3.42Å; Q318-K321 PolarHBondContact O-N 3.01Å; K321-T324 PolarHBondContact O-N 3.05Å; K321-S325 WeakPolarHBondContact O-CB 2.93Å; K321-S325 PolarHBondContact O-N 3.27Å
322E83.9Confident84.1Confident93 Ų9354.3 Ų54.344%0.43529%0.286SS..Hα-helixtrans-58.9-48176.4-75.1172-171.100110.8Q318 N319 T324 S325 Q326Q318-E322 WeakPolarHBondContact O-CG 3.43Å; Q318-E322 PolarHBondContact O-N 3.39Å; N319-E322 PolarHBondContact O-N 3.49Å; E322-T324 PolarHBondContact O-N 2.76Å; E322-S325 PolarHBondContact O-N 2.88Å; E322-Q326 WeakPolarHBondContact O-CG 3.38Å; E322-Q326 PolarHBondContact O-N 3.24Å
323F82.3Confident84.3Confident16 Ų1658.9 Ų58.97%0.0731%0.309CS..Hα-helixtrans-62.4-43.6178.9179-97.8000112.7S225 H228 L229 N319 V320 Q326 N327S225-F323 VanDerWaalsContact CB-CZ 3.43Å; H228-F323 HydrophobicContact CB-CE2 4.46Å; H228-F323 HydrophobicContact CB-CZ 4.3Å; H228-F323 AromaticContact CD2-CD2 3.75Å; H228-F323 AromaticContact CD2-CE2 3.54Å; H228-F323 AromaticContact CD2-CZ 3.86Å; L229-F323 HydrophobicContact CB-CE1 3.88Å; L229-F323 HydrophobicContact CD1-CD1 4.2Å; L229-F323 HydrophobicContact CD1-CE1 4.27Å; L229-F323 HydrophobicContact CG-CE1 4.5Å; N319-F323 VanDerWaalsContact O-CB 3.24Å; N319-F323 WeakPolarHBondContact O-CB 3.22Å; N319-F323 PolarHBondContact O-N 3.23Å; V320-F323 PolarHBondContact O-N 3.37Å; F323-Q326 PolarHBondContact O-N 3.29Å; F323-N327 WeakPolarHBondContact CD1-ND2 3.29Å; F323-N327 WeakPolarHBondContact CE1-ND2 3.29Å; F323-N327 WeakPolarHBondContact CE2-ND2 3.34Å; F323-N327 WeakPolarHBondContact CZ-ND2 3.45Å; F323-N327 WeakPolarHBondContact O-CB 3.48Å; F323-N327 PolarHBondContact O-N 2.98Å; F323-N327 PolarHBondContact O-ND2 3.01Å
324T83.6Confident84.4Confident72 Ų7258.6 Ų58.644%0.44231%0.311SS..Hα-helixtrans-63-42.1174.4-59.50000111.2V320 K321 E322 N327 L328V320-T324 WeakPolarHBondContact O-CB 3.37Å; V320-T324 PolarHBondContact O-N 3.25Å; V320-T324 PolarHBondContact O-OG1 3.1Å; K321-T324 PolarHBondContact O-N 3.05Å; E322-T324 PolarHBondContact O-N 2.76Å; T324-N327 PolarHBondContact O-N 3.3Å; T324-L328 VanDerWaalsContact O-CB 3.28Å; T324-L328 WeakPolarHBondContact O-CB 2.99Å; T324-L328 PolarHBondContact O-N 2.58Å
325S85.6Confident84.6Confident84 Ų8462.1 Ų62.159%0.58733%0.326SS*.Hα-helixtrans-63.1-42.8178.1-175.80000112K321 E322 G329K321-S325 WeakPolarHBondContact O-CB 2.93Å; K321-S325 PolarHBondContact O-N 3.27Å; E322-S325 PolarHBondContact O-N 2.88Å; S325-G329 PolarHBondContact O-N 3.16Å; S325-G329 VanDerWaalsContact O-N 3.08Å
326Q83.5Confident84.9Confident82 Ų8264.5 Ų64.538%0.38335%0.347SS..Hα-helixtrans-63-48.6176-71.4177.810.300111.4E322 F323 L328 G329 K330E322-Q326 WeakPolarHBondContact O-CG 3.38Å; E322-Q326 PolarHBondContact O-N 3.24Å; F323-Q326 PolarHBondContact O-N 3.29Å; Q326-L328 VanDerWaalsContact C-N 3.34Å; Q326-L328 PolarHBondContact O-N 3.49Å; Q326-G329 PolarHBondContact O-N 3.07Å; Q326-K330 WeakPolarHBondContact O-CG 3.49Å; Q326-K330 PolarHBondContact O-N 2.94Å
327N83.1Confident85.1Confident26 Ų2671.1 Ų71.114%0.13938%0.382CS..Hα-helixtrans-65.4-36.5-180-73-30.4000112.9F323 T324 G329 K330 L331F323-N327 WeakPolarHBondContact CD1-ND2 3.29Å; F323-N327 WeakPolarHBondContact CE1-ND2 3.29Å; F323-N327 WeakPolarHBondContact CE2-ND2 3.34Å; F323-N327 WeakPolarHBondContact CZ-ND2 3.45Å; F323-N327 WeakPolarHBondContact O-CB 3.48Å; F323-N327 PolarHBondContact O-N 2.98Å; F323-N327 PolarHBondContact O-ND2 3.01Å; T324-N327 PolarHBondContact O-N 3.3Å; N327-G329 VanDerWaalsContact C-N 3.32Å; N327-G329 PolarHBondContact O-N 3.03Å; N327-K330 PolarHBondContact O-N 3.18Å; N327-L331 WeakPolarHBondContact O-CG 3.4Å; N327-L331 PolarHBondContact O-N 3.34Å
328L85.8Confident85.1Confident89 Ų8975.7 Ų75.747%0.46640%0.399SS..Hα-helixtrans-62.5-41.8173.7-173.565.9000111T324 Q326 K330 L331 F332T324-L328 VanDerWaalsContact O-CB 3.28Å; T324-L328 WeakPolarHBondContact O-CB 2.99Å; T324-L328 PolarHBondContact O-N 2.58Å; Q326-L328 VanDerWaalsContact C-N 3.34Å; Q326-L328 PolarHBondContact O-N 3.49Å; L328-K330 PolarHBondContact O-N 3.09Å; L328-L331 PolarHBondContact O-N 2.8Å; L328-F332 HydrophobicContact CD1-CD2 4.23Å; L328-F332 HydrophobicContact CD1-CE2 3.74Å; L328-F332 HydrophobicContact CD1-CZ 4.39Å; L328-F332 HydrophobicContact CD2-CE2 4.02Å; L328-F332 HydrophobicContact CG-CD2 3.91Å; L328-F332 HydrophobicContact CG-CE2 3.59Å; L328-F332 WeakPolarHBondContact O-CD2 3.46Å; L328-F332 PolarHBondContact O-N 3.39Å
329G85.7Confident84.6Confident29 Ų2975.2 Ų75.230%0.29941%0.414SS..Hα-helixtrans-59-44.6172.400000112.5S325 Q326 N327 L331 F332 M333S325-G329 PolarHBondContact O-N 3.16Å; S325-G329 VanDerWaalsContact O-N 3.08Å; Q326-G329 PolarHBondContact O-N 3.07Å; N327-G329 VanDerWaalsContact C-N 3.32Å; N327-G329 PolarHBondContact O-N 3.03Å; G329-L331 PolarHBondContact O-N 3.49Å; G329-F332 PolarHBondContact O-N 3.43Å; G329-M333 WeakPolarHBondContact O-CG 3.46Å; G329-M333 PolarHBondContact O-N 2.83Å
330K84.8Confident83.5Confident17 Ų1783.1 Ų83.17%0.07445%0.45CS..Hα-helixtrans-61.9-41175.5-62.3177.2-154.6-168.80112.2L220 N222 L223 Q326 N327 L328 M333 A334L220-K330 WeakPolarHBondContact O-CD 3.44Å; L220-K330 WeakPolarHBondContact O-CE 3.49Å; L220-K330 PolarHBondContact O-NZ 2.91Å; N222-K330 WeakPolarHBondContact O-CD 3.46Å; N222-K330 PolarHBondContact O-NZ 3.44Å; N222-K330 VanDerWaalsContact O-NZ 3.1Å; L223-K330 HydrophobicContact CD2-CB 3.57Å; L223-K330 HydrophobicContact CG-CB 4.41Å; Q326-K330 WeakPolarHBondContact O-CG 3.49Å; Q326-K330 PolarHBondContact O-N 2.94Å; N327-K330 PolarHBondContact O-N 3.18Å; L328-K330 PolarHBondContact O-N 3.09Å; K330-M333 HydrophobicContact CG-CE 4.34Å; K330-M333 PolarHBondContact O-N 3.16Å; K330-A334 WeakPolarHBondContact O-CB 3.17Å; K330-A334 PolarHBondContact O-N 3.02Å
331L86Confident81.8Confident97 Ų9791.3 Ų91.351%0.50849%0.493SS..Hα-helixtrans-63.4-45.4176.9-76.6169.2000111.8L223 N327 L328 G329 M333 A334 E335L223-L331 HydrophobicContact CD2-CD2 3.87Å; L223-L331 HydrophobicContact CD2-CG 3.95Å; N327-L331 WeakPolarHBondContact O-CG 3.4Å; N327-L331 PolarHBondContact O-N 3.34Å; L328-L331 PolarHBondContact O-N 2.8Å; G329-L331 PolarHBondContact O-N 3.49Å; L331-M333 VanDerWaalsContact C-N 3.32Å; L331-M333 PolarHBondContact O-N 2.98Å; L331-A334 PolarHBondContact O-N 3.47Å; L331-E335 WeakPolarHBondContact O-CB 3.45Å; L331-E335 PolarHBondContact O-N 2.93Å
332F86.9Confident81.6Confident124 Ų12488.7 Ų88.754%0.54449%0.486SS..Hα-helixtrans-63.1-38.1175.5-79.5-59.9000112.5L328 G329 A334 E335 A336L328-F332 HydrophobicContact CD1-CD2 4.23Å; L328-F332 HydrophobicContact CD1-CE2 3.74Å; L328-F332 HydrophobicContact CD1-CZ 4.39Å; L328-F332 HydrophobicContact CD2-CE2 4.02Å; L328-F332 HydrophobicContact CG-CD2 3.91Å; L328-F332 HydrophobicContact CG-CE2 3.59Å; L328-F332 WeakPolarHBondContact O-CD2 3.46Å; L328-F332 PolarHBondContact O-N 3.39Å; G329-F332 PolarHBondContact O-N 3.43Å; F332-A334 VanDerWaalsContact C-N 3.35Å; F332-E335 PolarHBondContact O-N 2.59Å; F332-A336 WeakPolarHBondContact O-CB 3.47Å; F332-A336 PolarHBondContact O-N 2.95Å
333M86.3Confident81.5Confident109 Ų10988.4 Ų88.454%0.53749%0.489SS..Hα-helixtrans-64.2-40.3173.7-72.3-173.6-75.900111.7L221 G329 K330 L331 A336 L337L221-M333 HydrophobicContact CD2-CE 3.97Å; G329-M333 WeakPolarHBondContact O-CG 3.46Å; G329-M333 PolarHBondContact O-N 2.83Å; K330-M333 HydrophobicContact CG-CE 4.34Å; K330-M333 PolarHBondContact O-N 3.16Å; L331-M333 VanDerWaalsContact C-N 3.32Å; L331-M333 PolarHBondContact O-N 2.98Å; M333-A336 PolarHBondContact O-N 3.49Å; M333-L337 WeakPolarHBondContact O-CB 3.42Å; M333-L337 PolarHBondContact O-N 2.81Å
334A86.2Confident81.5Confident23 Ų2392.4 Ų92.419%0.1951%0.513CS..Hα-helixtrans-67.6-40.117600000112.4L223 K330 L331 F332 L337 Q338L223-A334 HydrophobicContact CD1-CB 4.09Å; K330-A334 WeakPolarHBondContact O-CB 3.17Å; K330-A334 PolarHBondContact O-N 3.02Å; L331-A334 PolarHBondContact O-N 3.47Å; F332-A334 VanDerWaalsContact C-N 3.35Å; A334-L337 WeakPolarHBondContact O-CB 3.44Å; A334-L337 PolarHBondContact O-N 3.38Å; A334-Q338 WeakPolarHBondContact O-CB 3.29Å; A334-Q338 VanDerWaalsContact O-CG 3.29Å; A334-Q338 WeakPolarHBondContact O-CG 3.38Å; A334-Q338 PolarHBondContact O-N 3.19Å
335E87.6Confident81.3Confident122 Ų12293.6 Ų93.657%0.5752%0.517SS*.Hα-helixtrans-61.8-45.3174.2-175.6-179-17600111.1L331 F332 L337 Q338 G339L331-E335 WeakPolarHBondContact O-CB 3.45Å; L331-E335 PolarHBondContact O-N 2.93Å; F332-E335 PolarHBondContact O-N 2.59Å; E335-L337 VanDerWaalsContact C-N 3.28Å; E335-L337 PolarHBondContact O-N 3.26Å; E335-Q338 PolarHBondContact O-N 2.89Å; E335-G339 PolarHBondContact O-N 3.5Å
336A88.3Confident81.1Confident61 Ų6194.3 Ų94.350%0.50451%0.512SS..Hα-helixtrans-61.8-36.5175.300000112.4F332 M333 H340F332-A336 WeakPolarHBondContact O-CB 3.47Å; F332-A336 PolarHBondContact O-N 2.95Å; M333-A336 PolarHBondContact O-N 3.49Å; A336-H340 PolarHBondContact O-CD2 3.23Å
337L86.8Confident80.9Confident142 Ų14295.1 Ų95.174%0.74352%0.521SS*.Hα-helixtrans-68.9-38.6175.5-161.5102.7000111.9M333 A334 E335M333-L337 WeakPolarHBondContact O-CB 3.42Å; M333-L337 PolarHBondContact O-N 2.81Å; A334-L337 WeakPolarHBondContact O-CB 3.44Å; A334-L337 PolarHBondContact O-N 3.38Å; E335-L337 VanDerWaalsContact C-N 3.28Å; E335-L337 PolarHBondContact O-N 3.26Å
338Q84.3Confident80.8Confident140 Ų140100 Ų10065%0.65455%0.548SS*.Hα-helixtrans-77.1-36.3-179.9-72.8175.29.100112.7A334 E335 H340 N341A334-Q338 WeakPolarHBondContact O-CB 3.29Å; A334-Q338 VanDerWaalsContact O-CG 3.29Å; A334-Q338 WeakPolarHBondContact O-CG 3.38Å; A334-Q338 PolarHBondContact O-N 3.19Å; E335-Q338 PolarHBondContact O-N 2.89Å; Q338-H340 PolarHBondContact O-N 2.79Å; Q338-N341 PolarHBondContact O-N 3.13Å; Q338-N341 VanDerWaalsContact O-N 3.13Å
339G74.6Confident80.4Confident65 Ų65100.8 Ų100.867%0.6755%0.554SS**THydrogen-bonded Turntrans-71.8-7.3-177.900000115E335E335-G339 PolarHBondContact O-N 3.5Å
340H58.4Low79.9Confident179 Ų179106.8 Ų106.883%0.82958%0.576SS**THydrogen-bonded Turntrans-92.6-8.1171.3-91.8-68.8000113.9A336 Q338A336-H340 PolarHBondContact O-CD2 3.23Å; Q338-H340 PolarHBondContact O-N 2.79Å
341N49Very low79.5Confident203 Ų203115 Ų115100%1.08662%0.621SS**  trans-97.30165.5-86.1-24.3000110Q338Q338-N341 PolarHBondContact O-N 3.13Å; Q338-N341 VanDerWaalsContact O-N 3.13Å

Retrieved 341 of 341 residues in 632.5 ms (Link to these results)