A0A5K4F4P3_SCHMA Loading...

PHD and RING finger domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A5K4F4P3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 839 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
1M45.5Very low52.4Low179 Ų179127.8 Ų127.888%0.88264%0.635SS**  0-48.50-155.3-162.4-60.400110.3D3 F4 L5M1-D3 PolarHBondContact N-OD2 3.05Å; M1-D3 PolarHBondContact O-N 3.46Å; M1-F4 WeakPolarHBondContact O-CA 3.49Å; M1-F4 VanDerWaalsContact O-CB 3.3Å; M1-F4 WeakPolarHBondContact O-CB 3.11Å; M1-F4 PolarHBondContact O-N 2.63Å; M1-L5 PolarHBondContact O-N 3.27Å
2L49.1Very low54Low128 Ų128122.7 Ų122.767%0.6760%0.604SS**Hα-helixtrans-52.7-36.4169.5-80.374.7000112.1F4 L5 N6L2-F4 VanDerWaalsContact C-N 3.26Å; L2-F4 PolarHBondContact O-N 2.76Å; L2-L5 CarbonylContact O-C 3.44Å; L2-L5 WeakPolarHBondContact O-CA 3.39Å; L2-L5 WeakPolarHBondContact O-CB 3.5Å; L2-L5 PolarHBondContact O-N 3.44Å; L2-N6 WeakPolarHBondContact O-CB 3.13Å; L2-N6 PolarHBondContact O-N 2.94Å
3D49.6Very low56.2Low111 Ų111119.8 Ų119.859%0.59459%0.591SS**Hα-helixtrans-58.1-38.6175.9-27.4-82.1000112M1 L5 N6 L7M1-D3 PolarHBondContact N-OD2 3.05Å; M1-D3 PolarHBondContact O-N 3.46Å; D3-L5 VanDerWaalsContact C-N 3.33Å; D3-N6 PolarHBondContact O-N 3.38Å; D3-L7 WeakPolarHBondContact O-CB 3.31Å; D3-L7 PolarHBondContact O-N 3.11Å
4F48.8Very low58.2Low162 Ų162111.2 Ų111.271%0.71155%0.549SS*.Hα-helixtrans-74.1-24177.3-129.6-84.5000112.6M1 L2M1-F4 WeakPolarHBondContact O-CA 3.49Å; M1-F4 VanDerWaalsContact O-CB 3.3Å; M1-F4 WeakPolarHBondContact O-CB 3.11Å; M1-F4 PolarHBondContact O-N 2.63Å; L2-F4 VanDerWaalsContact C-N 3.26Å; L2-F4 PolarHBondContact O-N 2.76Å
5L53.6Low59.8Low107 Ų107110.1 Ų110.156%0.5654%0.542SS*.Hα-helixtrans-84.7-33.8172.9-67.1167.8000111.4M1 L2 D3 K8 K9M1-L5 PolarHBondContact O-N 3.27Å; L2-L5 CarbonylContact O-C 3.44Å; L2-L5 WeakPolarHBondContact O-CA 3.39Å; L2-L5 WeakPolarHBondContact O-CB 3.5Å; L2-L5 PolarHBondContact O-N 3.44Å; D3-L5 VanDerWaalsContact C-N 3.33Å; L5-K8 WeakPolarHBondContact O-CB 3.45Å; L5-K8 PolarHBondContact O-N 3.45Å; L5-K9 PolarHBondContact O-N 3.23Å
6N53.7Low61.2Low98 Ų98107.1 Ų107.152%0.52453%0.529SS..Hα-helixtrans-70.8-39.2173.9-70.9-14.9000111.4L2 D3 K8 K9 S10L2-N6 WeakPolarHBondContact O-CB 3.13Å; L2-N6 PolarHBondContact O-N 2.94Å; D3-N6 PolarHBondContact O-N 3.38Å; N6-K8 PolarHBondContact O-N 3.26Å; N6-K9 WeakPolarHBondContact O-CA 3.35Å; N6-K9 PolarHBondContact O-N 3.16Å; N6-S10 PolarHBondContact O-N 2.88Å
7L50.5Low62.6Low88 Ų88104.8 Ų104.846%0.46152%0.524SS..THydrogen-bonded Turntrans-58.9-23169.3-110.568.3000113.5D3D3-L7 WeakPolarHBondContact O-CB 3.31Å; D3-L7 PolarHBondContact O-N 3.11Å
8K52.6Low63.7Low182 Ų182109.8 Ų109.879%0.79154%0.536SS*.THydrogen-bonded Turntrans-88.9-1.9172.5-88.1-168171.5-171.60114.1L5 N6L5-K8 WeakPolarHBondContact O-CB 3.45Å; L5-K8 PolarHBondContact O-N 3.45Å; N6-K8 PolarHBondContact O-N 3.26Å
9K51.5Low64.6Low181 Ų181105.5 Ų105.579%0.78752%0.523SS*.THydrogen-bonded Turntrans-117.2-14.1-172.8-120.4-177.4179.2-174.50114.6L5 N6L5-K9 PolarHBondContact O-N 3.23Å; N6-K9 WeakPolarHBondContact O-CA 3.35Å; N6-K9 PolarHBondContact O-N 3.16Å
10S56.5Low65.4Low58 Ų58102.1 Ų102.141%0.40651%0.51SS..SBendtrans-90106164.954.80000109.9N6 Y12N6-S10 PolarHBondContact O-N 2.88Å; S10-Y12 WeakPolarHBondContact O-CD2 3.31Å; S10-Y12 PolarHBondContact O-N 3.25Å
11D64.5Low66Low112 Ų11297.6 Ų97.660%0.59949%0.487SS*.  trans-64.2100.8163.7-98-70.5000108.5L13 S20D11-L13 HydrophobicContact CB-CD2 4.32Å; D11-L13 PolarHBondContact O-N 2.94Å; D11-S20 WeakPolarHBondContact OD1-CB 3.39Å; D11-S20 PolarHBondContact OD1-OG 3.37Å
12Y72.4Confident67.1Low66 Ų6697.5 Ų97.526%0.25948%0.482SS..PPolyproline II helixtrans-63.5118171.3-65.6-82.7000108.4S10 S20 I21 M34 P73S10-Y12 WeakPolarHBondContact O-CD2 3.31Å; S10-Y12 PolarHBondContact O-N 3.25Å; Y12-S20 CarbonylContact O-C 3.56Å; Y12-S20 WeakPolarHBondContact O-CA 3.44Å; Y12-I21 WeakPolarHBondContact O-CB 3.47Å; Y12-I21 PolarHBondContact O-N 3.1Å; Y12-M34 HydrophobicContact CD1-CE 4.03Å; Y12-M34 HydrophobicContact CD1-SD 3.44Å; Y12-M34 WeakPolarHBondContact CD1-SD 3.44Å; Y12-M34 HydrophobicContact CE1-SD 4.01Å; Y12-M34 HydrophobicContact CG-CE 4.13Å; Y12-M34 HydrophobicContact CG-SD 4.13Å; Y12-P73 HydrophobicContact CD2-CB 3.36Å; Y12-P73 HydrophobicContact CD2-CG 3.9Å; Y12-P73 HydrophobicContact CE2-CB 3.47Å; Y12-P73 VanDerWaalsContact CE2-CB 3.47Å; Y12-P73 HydrophobicContact CE2-CG 4.44Å; Y12-P73 HydrophobicContact CG-CB 3.94Å; Y12-P73 HydrophobicContact CG-CG 4.38Å
13L81.9Confident68.2Low85 Ų8592.8 Ų92.845%0.44546%0.464SS..BIsolated β-bridgetrans-97.5149177.8-55.6-174.6000110.4D11D11-L13 HydrophobicContact CB-CD2 4.32Å; D11-L13 PolarHBondContact O-N 2.94Å
14C84.2Confident69.4Low0 Ų092.3 Ų92.30%046%0.459CS..PPolyproline II helixtrans-80.6122.7167.4169.80000109.6L16 C17 R18 G19 I21 M34 F35 H36C14-L16 PolarHBondContact O-N 3.22Å; C14-L16 VanDerWaalsContact O-N 3.11Å; C14-C17 PolarHBondContact O-N 3.45Å; C14-R18 WeakPolarHBondContact O-CA 3.21Å; C14-R18 PolarHBondContact O-N 3.22Å; C14-G19 PolarHBondContact N-O 3.33Å; C14-I21 HydrophobicContact CB-CD1 4.07Å; C14-I21 HydrophobicContact CB-CG1 4.05Å; C14-M34 WeakPolarHBondContact CA-O 3.49Å; C14-F35 VanDerWaalsContact SG-CA 3.6Å; C14-H36 VanDerWaalsContact CB-CE1 3.44Å; C14-H36 WeakPolarHBondContact CB-CE1 3.38Å; C14-H36 WeakPolarHBondContact CB-ND1 3.47Å; C14-H36 PolarHBondContact SG-N 3.01Å
15E82.4Confident71Confident94 Ų9484.6 Ų84.644%0.43943%0.425SS..THydrogen-bonded Turntrans-66.7-16.7-175.1-60.8-65172.800114M34 F35 V57E15-M34 PolarHBondContact N-O 2.83Å; E15-F35 HydrophobicContact CB-CD1 4.35Å; E15-F35 HydrophobicContact CB-CE1 3.88Å; E15-V57 HydrophobicContact CB-CG2 3.6Å; E15-V57 HydrophobicContact CG-CG2 3.88Å
16L82.1Confident72.3Confident63 Ų6379.7 Ų79.733%0.3340%0.399SS..THydrogen-bonded Turntrans-81.8-55175.3-75.4166000112.7C14 F35 C39 L40 W43 P56C14-L16 PolarHBondContact O-N 3.22Å; C14-L16 VanDerWaalsContact O-N 3.11Å; L16-F35 HydrophobicContact CB-CD1 4.34Å; L16-F35 HydrophobicContact CD1-CD1 3.65Å; L16-F35 HydrophobicContact CD1-CE1 4.17Å; L16-F35 HydrophobicContact CD1-CG 4.4Å; L16-F35 HydrophobicContact CG-CD1 3.71Å; L16-F35 HydrophobicContact CG-CE1 3.95Å; L16-C39 HydrophobicContact CB-CB 4.11Å; L16-C39 HydrophobicContact CD1-CB 3.86Å; L16-C39 VanDerWaalsContact CD1-O 3.31Å; L16-C39 WeakPolarHBondContact CD1-O 3.45Å; L16-L40 HydrophobicContact CD1-CD1 4.38Å; L16-W43 HydrophobicContact CD1-CB 4.19Å; L16-P56 HydrophobicContact CD1-CG 4.2Å; L16-P56 HydrophobicContact CD2-CB 3.86Å; L16-P56 HydrophobicContact CD2-CG 4.03Å; L16-P56 HydrophobicContact CG-CG 4.2Å
17C86Confident73.8Confident68 Ų6875.2 Ų75.246%0.45938%0.375SS..THydrogen-bonded Turntrans-102.4-5.4-174.173.10000114.5C14 G19 H36C14-C17 PolarHBondContact O-N 3.45Å; C17-G19 PolarHBondContact O-N 3.04Å; C17-G19 PolarHBondContact SG-N 3.22Å; C17-G19 VanDerWaalsContact SG-N 3.44Å; C17-H36 VanDerWaalsContact SG-CE1 3.51Å; C17-H36 PolarHBondContact SG-ND1 3.41Å
18R81.2Confident75.3Confident195 Ų19571 Ų7174%0.73635%0.353SS*.  trans57.910.5-174.5-56.7-175.3177.7-145.1-5.3115.5C14C14-R18 WeakPolarHBondContact O-CA 3.21Å; C14-R18 PolarHBondContact O-N 3.22Å
19G81Confident76.6Confident27 Ų2768 Ų6828%0.27834%0.34SS..  trans-77.4148.4175.100000113.2C14 C17 H36C14-G19 PolarHBondContact N-O 3.33Å; C17-G19 PolarHBondContact O-N 3.04Å; C17-G19 PolarHBondContact SG-N 3.22Å; C17-G19 VanDerWaalsContact SG-N 3.44Å; G19-H36 PolarHBondContact O-CE1 2.98Å
20S80.6Confident77.8Confident38 Ų3861.7 Ų61.727%0.26632%0.319SS..BIsolated β-bridgetrans-64.8131.9176.7171.60000112D11 Y12 K22 H36D11-S20 WeakPolarHBondContact OD1-CB 3.39Å; D11-S20 PolarHBondContact OD1-OG 3.37Å; Y12-S20 CarbonylContact O-C 3.56Å; Y12-S20 WeakPolarHBondContact O-CA 3.44Å; S20-K22 PolarHBondContact O-N 3.14Å; S20-K22 WeakPolarHBondContact OG-CE 3.49Å; S20-K22 WeakPolarHBondContact OG-CG 3.43Å; S20-H36 PolarHBondContact O-NE2 3.48Å
21I78.6Confident79Confident7 Ų759.8 Ų59.84%0.03631%0.306CS..  trans-91.195.9-179.2-60.5177.9000108.5Y12 C14 N25 M34 P73Y12-I21 WeakPolarHBondContact O-CB 3.47Å; Y12-I21 PolarHBondContact O-N 3.1Å; C14-I21 HydrophobicContact CB-CD1 4.07Å; C14-I21 HydrophobicContact CB-CG1 4.05Å; I21-N25 HydrophobicContact CG2-CB 3.51Å; I21-M34 HydrophobicContact CD1-CB 3.65Å; I21-M34 HydrophobicContact CD1-CE 4.14Å; I21-M34 HydrophobicContact CG2-CE 4.33Å; I21-P73 HydrophobicContact CG2-CG 4.07Å; I21-P73 WeakPolarHBondContact O-CG 3.44Å
22K68.5Low79.8Confident178 Ų17859.5 Ų59.577%0.77431%0.313SS*.  trans-101.44.2-176.8-60.1-173.6179.5-179.10114.6S20S20-K22 PolarHBondContact O-N 3.14Å; S20-K22 WeakPolarHBondContact OG-CE 3.49Å; S20-K22 WeakPolarHBondContact OG-CG 3.43Å
23G71.8Confident80.4Confident29 Ų2958.5 Ų58.530%0.29931%0.31SS..SBendtrans-156-138.3-174.500000113.1N25 K71G23-N25 PolarHBondContact O-N 2.99Å; G23-N25 PolarHBondContact O-ND2 3.14Å; G23-K71 CarbonylContact C-O 3.54Å; G23-K71 VanDerWaalsContact C-O 3.32Å
24E75.4Confident80.6Confident101 Ų10155.4 Ų55.447%0.47229%0.294SS..  trans-63.8135.5-177.7-49.3-153.9135.500111.2I37 R70 K71E24-I37 HydrophobicContact CB-CD1 3.8Å; E24-R70 VanDerWaalsContact CA-O 3.31Å; E24-R70 WeakPolarHBondContact CA-O 3.42Å; E24-K71 PolarHBondContact N-O 3.32Å; E24-K71 WeakPolarHBondContact OE1-CG 3.44Å
25N81.2Confident80.6Confident0 Ų055.5 Ų55.50%029%0.294CS..EExtended strand (participates in β ladder)trans-143.7159.3-170.859.392.8000110.8I21 G23 M34 F35 I69 R70 T72I21-N25 HydrophobicContact CG2-CB 3.51Å; G23-N25 PolarHBondContact O-N 2.99Å; G23-N25 PolarHBondContact O-ND2 3.14Å; N25-M34 HydrophobicContact CB-CE 4.28Å; N25-F35 WeakPolarHBondContact CA-O 3.27Å; N25-I69 CarbonylContact O-C 3.48Å; N25-I69 WeakPolarHBondContact O-CA 3.19Å; N25-R70 PolarHBondContact N-O 2.77Å; N25-R70 PolarHBondContact ND2-O 3.3Å; N25-R70 PolarHBondContact O-N 3.15Å; N25-T72 VanDerWaalsContact ND2-C 3.28Å; N25-T72 PolarHBondContact ND2-O 3.37Å
26C82.5Confident80.8Confident4 Ų453.1 Ų53.13%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-124.6140.1179.853.70000111.3F35 H36 I37 L40 I67 L68C26-F35 PolarHBondContact N-O 2.87Å; C26-F35 PolarHBondContact O-N 3.42Å; C26-F35 PolarHBondContact SG-O 3.24Å; C26-F35 VanDerWaalsContact SG-O 3.34Å; C26-H36 PolarHBondContact SG-O 3.22Å; C26-I37 HydrophobicContact CB-CG1 4.44Å; C26-L40 HydrophobicContact CB-CD2 4.29Å; C26-L40 VanDerWaalsContact SG-CD2 3.57Å; C26-I67 HydrophobicContact CB-CG2 3.54Å; C26-L68 WeakPolarHBondContact CA-O 3.46Å
27T83.6Confident80.8Confident3 Ų351.7 Ų51.72%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-131.3120.6174.2600000109.2K29 H33 M34 L68T27-K29 PolarHBondContact O-N 2.75Å; T27-H33 WeakPolarHBondContact CA-O 2.97Å; T27-H33 WeakPolarHBondContact CG2-O 3.3Å; T27-M34 HydrophobicContact CG2-CB 4.42Å; T27-M34 HydrophobicContact CG2-CG 3.67Å; T27-L68 PolarHBondContact N-O 3.28Å; T27-L68 WeakPolarHBondContact O-CB 3.3Å; T27-L68 PolarHBondContact O-N 3.24Å
28P82.5Confident80.7Confident0 Ų053.6 Ų53.60%028%0.281CS..EExtended strand (participates in β ladder)trans-58.5136.3174.9-23.633.3000111.7S30 C31 F35 L40 F64P28-S30 PolarHBondContact O-N 3.04Å; P28-C31 PolarHBondContact O-N 3.48Å; P28-F35 HydrophobicContact CG-CE2 3.92Å; P28-L40 HydrophobicContact CG-CD2 4.36Å; P28-F64 HydrophobicContact CB-CB 3.84Å; P28-F64 HydrophobicContact CB-CD1 3.55Å; P28-F64 HydrophobicContact CB-CD2 4.18Å; P28-F64 HydrophobicContact CB-CE1 4.02Å; P28-F64 HydrophobicContact CB-CG 3.62Å; P28-F64 HydrophobicContact CG-CD1 3.97Å; P28-F64 HydrophobicContact CG-CE1 3.92Å; P28-F64 HydrophobicContact CG-CG 4.39Å; P28-F64 HydrophobicContact CG-CZ 4.34Å
29K80.1Confident80.8Confident118 Ų11845.7 Ų45.751%0.51326%0.255SS..THydrogen-bonded Turntrans-59.5-21.6-173-174.7177.6175.2-175.60114.4T27 E66 L68T27-K29 PolarHBondContact O-N 2.75Å; K29-E66 HydrophobicContact CB-CB 3.86Å; K29-E66 WeakPolarHBondContact CB-O 3.43Å; K29-E66 HydrophobicContact CD-CB 3.69Å; K29-E66 HydrophobicContact CD-CG 4.18Å; K29-E66 WeakPolarHBondContact CD-OE1 3.39Å; K29-E66 WeakPolarHBondContact CD-OE2 3.45Å; K29-E66 WeakPolarHBondContact CE-OE2 3.43Å; K29-E66 HydrophobicContact CG-CB 4.45Å; K29-E66 PolarHBondContact N-O 2.89Å; K29-E66 IonicContact NZ-OE1 3.77Å; K29-E66 PolarHBondContact NZ-OE1 3.34Å; K29-E66 IonicContact NZ-OE2 3.62Å; K29-E66 PolarHBondContact NZ-OE2 3.03Å; K29-L68 HydrophobicContact CB-CD1 4.36Å; K29-L68 HydrophobicContact CG-CD1 4.5Å
30S77Confident80.9Confident49 Ų4944.6 Ų44.634%0.34324%0.243SC..THydrogen-bonded Turntrans-89.6-9.2177.5570000115.1P28 L62 S63P28-S30 PolarHBondContact O-N 3.04Å; S30-L62 VanDerWaalsContact O-CD1 3.31Å; S30-L62 WeakPolarHBondContact O-CD1 3.49Å; S30-S63 WeakPolarHBondContact CB-O 3.12Å; S30-S63 PolarHBondContact OG-O 3.47Å
31C81.4Confident80.8Confident19 Ų1947.5 Ų47.513%0.12825%0.252CS..  trans-143.6161.7-176.580.90000113.4P28 H33 L62P28-C31 PolarHBondContact O-N 3.48Å; C31-H33 PolarHBondContact SG-ND1 3Å; C31-H33 VanDerWaalsContact SG-ND1 3.36Å; C31-L62 HydrophobicContact CB-CB 4.5Å; C31-L62 HydrophobicContact CB-CD1 4.08Å
32S82.3Confident80.9Confident106 Ų10652 Ų5274%0.74128%0.277SS*.  trans-87.51.1-179.250.50000114.9
33H85Confident81.6Confident44 Ų4445.7 Ų45.720%0.20425%0.248CC..  trans-70.7140.4-175.1-56.6106.6000112T27 C31 F35 C55 V57 C60T27-H33 WeakPolarHBondContact CA-O 2.97Å; T27-H33 WeakPolarHBondContact CG2-O 3.3Å; C31-H33 PolarHBondContact SG-ND1 3Å; C31-H33 VanDerWaalsContact SG-ND1 3.36Å; H33-F35 HydrophobicContact CB-CE2 3.76Å; H33-F35 HydrophobicContact CB-CZ 3.68Å; H33-C55 PolarHBondContact ND1-SG 3.36Å; H33-C55 VanDerWaalsContact ND1-SG 3.35Å; H33-V57 HydrophobicContact CB-CG2 3.9Å; H33-C60 PolarHBondContact CE1-SG 2.97Å
34M85.1Confident81.8Confident21 Ų2144.9 Ų44.910%0.10324%0.238CC..  trans-109.9137.8-176.3-66.5-175.659.400111.3Y12 C14 E15 I21 N25 T27 P73Y12-M34 HydrophobicContact CD1-CE 4.03Å; Y12-M34 HydrophobicContact CD1-SD 3.44Å; Y12-M34 WeakPolarHBondContact CD1-SD 3.44Å; Y12-M34 HydrophobicContact CE1-SD 4.01Å; Y12-M34 HydrophobicContact CG-CE 4.13Å; Y12-M34 HydrophobicContact CG-SD 4.13Å; C14-M34 WeakPolarHBondContact CA-O 3.49Å; E15-M34 PolarHBondContact N-O 2.83Å; I21-M34 HydrophobicContact CD1-CB 3.65Å; I21-M34 HydrophobicContact CD1-CE 4.14Å; I21-M34 HydrophobicContact CG2-CE 4.33Å; N25-M34 HydrophobicContact CB-CE 4.28Å; T27-M34 HydrophobicContact CG2-CB 4.42Å; T27-M34 HydrophobicContact CG2-CG 3.67Å; M34-P73 HydrophobicContact CE-CB 4.07Å; M34-P73 HydrophobicContact CE-CG 4.28Å
35F85.3Confident81.6Confident1 Ų144.8 Ų44.80%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-137155.9177.6-45-90000111.2C14 E15 L16 N25 C26 P28 H33 L40 P56 V57C14-F35 VanDerWaalsContact SG-CA 3.6Å; E15-F35 HydrophobicContact CB-CD1 4.35Å; E15-F35 HydrophobicContact CB-CE1 3.88Å; L16-F35 HydrophobicContact CB-CD1 4.34Å; L16-F35 HydrophobicContact CD1-CD1 3.65Å; L16-F35 HydrophobicContact CD1-CE1 4.17Å; L16-F35 HydrophobicContact CD1-CG 4.4Å; L16-F35 HydrophobicContact CG-CD1 3.71Å; L16-F35 HydrophobicContact CG-CE1 3.95Å; N25-F35 WeakPolarHBondContact CA-O 3.27Å; C26-F35 PolarHBondContact N-O 2.87Å; C26-F35 PolarHBondContact O-N 3.42Å; C26-F35 PolarHBondContact SG-O 3.24Å; C26-F35 VanDerWaalsContact SG-O 3.34Å; P28-F35 HydrophobicContact CG-CE2 3.92Å; H33-F35 HydrophobicContact CB-CE2 3.76Å; H33-F35 HydrophobicContact CB-CZ 3.68Å; F35-L40 HydrophobicContact CB-CB 4.12Å; F35-L40 HydrophobicContact CB-CD2 4.46Å; F35-L40 HydrophobicContact CD2-CD1 4.31Å; F35-L40 HydrophobicContact CD2-CD2 3.82Å; F35-L40 HydrophobicContact CE2-CD2 4.42Å; F35-L40 HydrophobicContact CG-CB 4.48Å; F35-L40 HydrophobicContact CG-CD1 4.41Å; F35-L40 HydrophobicContact CG-CD2 4.33Å; F35-P56 HydrophobicContact CD1-CG 4.48Å; F35-P56 HydrophobicContact CE1-CG 3.63Å; F35-P56 HydrophobicContact CZ-CG 3.72Å; F35-V57 HydrophobicContact CE1-CG2 3.97Å; F35-V57 HydrophobicContact CZ-CG2 3.81Å
36H85.9Confident81Confident45 Ų4551.8 Ų51.821%0.20829%0.286CS..EExtended strand (participates in β ladder)trans-68.1145.9159.2-55.1107.5000108.9C14 C17 G19 S20 C26 N38 C39 L40C14-H36 VanDerWaalsContact CB-CE1 3.44Å; C14-H36 WeakPolarHBondContact CB-CE1 3.38Å; C14-H36 WeakPolarHBondContact CB-ND1 3.47Å; C14-H36 PolarHBondContact SG-N 3.01Å; C17-H36 VanDerWaalsContact SG-CE1 3.51Å; C17-H36 PolarHBondContact SG-ND1 3.41Å; G19-H36 PolarHBondContact O-CE1 2.98Å; S20-H36 PolarHBondContact O-NE2 3.48Å; C26-H36 PolarHBondContact SG-O 3.22Å; H36-N38 PolarHBondContact O-N 2.97Å; H36-C39 HydrophobicContact CB-CB 4.42Å; H36-C39 PolarHBondContact O-N 3.25Å; H36-L40 PolarHBondContact O-N 2.77Å
37I82.7Confident80.2Confident32 Ų3254.7 Ų54.716%0.16430%0.298CS..Hα-helixtrans-54-54-178.2-60.7173.1000110.3E24 C26 C39 L40 E41 I69E24-I37 HydrophobicContact CB-CD1 3.8Å; C26-I37 HydrophobicContact CB-CG1 4.44Å; I37-C39 PolarHBondContact O-N 3.44Å; I37-L40 PolarHBondContact O-N 3.49Å; I37-L40 VanDerWaalsContact O-N 3.14Å; I37-E41 HydrophobicContact CG2-CG 4.2Å; I37-E41 PolarHBondContact O-N 3.36Å; I37-I69 HydrophobicContact CD1-CG2 3.69Å; I37-I69 HydrophobicContact CG1-CG2 4.33Å
38N82.6Confident79Confident108 Ų10859.9 Ų59.958%0.57833%0.326SS*.Hα-helixtrans-52-52.2178.4-58.855.5000112.4H36 L40 E41 D42H36-N38 PolarHBondContact O-N 2.97Å; N38-L40 PolarHBondContact O-N 3.35Å; N38-L40 VanDerWaalsContact O-N 3.15Å; N38-E41 CarbonylContact O-C 3.57Å; N38-E41 PolarHBondContact O-N 2.96Å; N38-D42 WeakPolarHBondContact O-CB 3.34Å; N38-D42 PolarHBondContact O-N 3.12Å; N38-D42 VanDerWaalsContact O-OD2 3.11Å
39C84.1Confident77.9Confident29 Ų2965.3 Ų65.320%0.19635%0.347CS..Hα-helixtrans-57.1-36.6-177.8-60.70000112.8L16 H36 I37 W43L16-C39 HydrophobicContact CB-CB 4.11Å; L16-C39 HydrophobicContact CD1-CB 3.86Å; L16-C39 VanDerWaalsContact CD1-O 3.31Å; L16-C39 WeakPolarHBondContact CD1-O 3.45Å; H36-C39 HydrophobicContact CB-CB 4.42Å; H36-C39 PolarHBondContact O-N 3.25Å; I37-C39 PolarHBondContact O-N 3.44Å; C39-W43 WeakPolarHBondContact O-CB 3.45Å; C39-W43 PolarHBondContact O-N 3Å; C39-W43 VanDerWaalsContact O-N 3.1Å
40L82.4Confident76.8Confident4 Ų465.6 Ų65.62%0.02136%0.364CS..Hα-helixtrans-82.9-27.6178.8-166.160.9000112.6L16 C26 P28 F35 H36 I37 N38 W43 A44 P56 I67L16-L40 HydrophobicContact CD1-CD1 4.38Å; C26-L40 HydrophobicContact CB-CD2 4.29Å; C26-L40 VanDerWaalsContact SG-CD2 3.57Å; P28-L40 HydrophobicContact CG-CD2 4.36Å; F35-L40 HydrophobicContact CB-CB 4.12Å; F35-L40 HydrophobicContact CB-CD2 4.46Å; F35-L40 HydrophobicContact CD2-CD1 4.31Å; F35-L40 HydrophobicContact CD2-CD2 3.82Å; F35-L40 HydrophobicContact CE2-CD2 4.42Å; F35-L40 HydrophobicContact CG-CB 4.48Å; F35-L40 HydrophobicContact CG-CD1 4.41Å; F35-L40 HydrophobicContact CG-CD2 4.33Å; H36-L40 PolarHBondContact O-N 2.77Å; I37-L40 PolarHBondContact O-N 3.49Å; I37-L40 VanDerWaalsContact O-N 3.14Å; N38-L40 PolarHBondContact O-N 3.35Å; N38-L40 VanDerWaalsContact O-N 3.15Å; L40-W43 HydrophobicContact CD1-CE3 3.89Å; L40-A44 WeakPolarHBondContact O-CB 3.34Å; L40-A44 PolarHBondContact O-N 3.44Å; L40-P56 HydrophobicContact CD1-CG 4.06Å; L40-I67 HydrophobicContact CD2-CD1 3.72Å; L40-I67 HydrophobicContact CD2-CG1 4.48Å; L40-I67 HydrophobicContact CG-CD1 4.28Å
41E79.3Confident75.9Confident100 Ų10066.5 Ų66.547%0.46737%0.37SS..Hα-helixtrans-68.8-41.5168.4-72.5-173.6145.400112I37 N38 A44 S45I37-E41 HydrophobicContact CG2-CG 4.2Å; I37-E41 PolarHBondContact O-N 3.36Å; N38-E41 CarbonylContact O-C 3.57Å; N38-E41 PolarHBondContact O-N 2.96Å; E41-A44 PolarHBondContact O-N 3.11Å; E41-S45 WeakPolarHBondContact O-CB 3.41Å; E41-S45 PolarHBondContact O-N 3.35Å; E41-S45 PolarHBondContact O-OG 3.37Å
42D80.4Confident75.1Confident102 Ų10268.3 Ų68.355%0.54539%0.392SS..Hα-helixtrans-61.4-54174.9-64.7-35.9000109.4N38 A44 S45 D46N38-D42 WeakPolarHBondContact O-CB 3.34Å; N38-D42 PolarHBondContact O-N 3.12Å; N38-D42 VanDerWaalsContact O-OD2 3.11Å; D42-A44 VanDerWaalsContact C-N 3.32Å; D42-A44 PolarHBondContact O-N 3.41Å; D42-S45 WeakPolarHBondContact O-CB 3.47Å; D42-S45 PolarHBondContact O-N 2.71Å; D42-D46 PolarHBondContact O-N 2.89Å
43W82.3Confident74.6Confident45 Ų4563.7 Ų63.717%0.1736%0.359CS..Hα-helixtrans-58.8-39.5176.5176.383.7000113.2L16 C39 L40 S45 D46 F47 F53 T54 P56 F64L16-W43 HydrophobicContact CD1-CB 4.19Å; C39-W43 WeakPolarHBondContact O-CB 3.45Å; C39-W43 PolarHBondContact O-N 3Å; C39-W43 VanDerWaalsContact O-N 3.1Å; L40-W43 HydrophobicContact CD1-CE3 3.89Å; W43-S45 VanDerWaalsContact C-N 3.25Å; W43-S45 PolarHBondContact O-N 3.39Å; W43-D46 PolarHBondContact O-N 3.17Å; W43-F47 AromaticContact CE2-CD2 3.76Å; W43-F47 AromaticContact CE2-CE2 3.87Å; W43-F47 AromaticContact CH2-CD2 3.93Å; W43-F47 HydrophobicContact CH2-CD2 3.93Å; W43-F47 HydrophobicContact CH2-CE2 4.11Å; W43-F47 HydrophobicContact CH2-CG 4.16Å; W43-F47 HydrophobicContact CH2-CZ 4.47Å; W43-F47 AromaticContact CZ2-CD2 3.44Å; W43-F47 HydrophobicContact CZ2-CD2 3.44Å; W43-F47 VanDerWaalsContact CZ2-CD2 3.44Å; W43-F47 AromaticContact CZ2-CE2 3.35Å; W43-F47 HydrophobicContact CZ2-CE2 3.35Å; W43-F47 HydrophobicContact CZ2-CG 4.13Å; W43-F47 AromaticContact CZ2-CZ 3.96Å; W43-F47 HydrophobicContact CZ2-CZ 3.96Å; W43-F53 HydrophobicContact CH2-CB 4.43Å; W43-F53 HydrophobicContact CH2-CD1 4.38Å; W43-F53 HydrophobicContact CZ3-CB 4.33Å; W43-F53 AromaticContact CZ3-CD1 3.97Å; W43-F53 HydrophobicContact CZ3-CD1 3.97Å; W43-T54 WeakPolarHBondContact CH2-O 3.39Å; W43-P56 HydrophobicContact CD2-CB 4Å; W43-P56 HydrophobicContact CD2-CG 4.24Å; W43-P56 HydrophobicContact CG-CB 4.17Å; W43-P56 HydrophobicContact CZ2-CB 4.21Å; W43-F64 HydrophobicContact CZ3-CE1 4.42Å; W43-F64 HydrophobicContact CZ3-CZ 4.06Å
44A77.2Confident74.5Confident12 Ų1264.2 Ų64.210%0.09937%0.365CS..Hα-helixtrans-74.7-13.8177.100000113.4L40 E41 D42 F53L40-A44 WeakPolarHBondContact O-CB 3.34Å; L40-A44 PolarHBondContact O-N 3.44Å; E41-A44 PolarHBondContact O-N 3.11Å; D42-A44 VanDerWaalsContact C-N 3.32Å; D42-A44 PolarHBondContact O-N 3.41Å; A44-F53 HydrophobicContact CB-CD1 4.31Å; A44-F53 HydrophobicContact CB-CE1 3.96Å
45S71.3Confident74.4Confident99 Ų9963.5 Ų63.569%0.69236%0.362SS*.Hα-helixtrans-81.7-28.4175.3-62.90000112.5E41 D42 W43 F47E41-S45 WeakPolarHBondContact O-CB 3.41Å; E41-S45 PolarHBondContact O-N 3.35Å; E41-S45 PolarHBondContact O-OG 3.37Å; D42-S45 WeakPolarHBondContact O-CB 3.47Å; D42-S45 PolarHBondContact O-N 2.71Å; W43-S45 VanDerWaalsContact C-N 3.25Å; W43-S45 PolarHBondContact O-N 3.39Å; S45-F47 VanDerWaalsContact C-N 3.3Å
46D68.1Low74.2Confident147 Ų14765.1 Ų65.179%0.78637%0.373SS*.SBendtrans-78.3-13.6172.6-69.3-25.3000112.8D42 W43D42-D46 PolarHBondContact O-N 2.89Å; W43-D46 PolarHBondContact O-N 3.17Å
47F65.9Low74Confident65 Ų6564.3 Ų64.329%0.28537%0.371SS..SBendtrans-92.5118-176.1-118.4-96.6000113W43 S45 Y49 F53W43-F47 AromaticContact CE2-CD2 3.76Å; W43-F47 AromaticContact CE2-CE2 3.87Å; W43-F47 AromaticContact CH2-CD2 3.93Å; W43-F47 HydrophobicContact CH2-CD2 3.93Å; W43-F47 HydrophobicContact CH2-CE2 4.11Å; W43-F47 HydrophobicContact CH2-CG 4.16Å; W43-F47 HydrophobicContact CH2-CZ 4.47Å; W43-F47 AromaticContact CZ2-CD2 3.44Å; W43-F47 HydrophobicContact CZ2-CD2 3.44Å; W43-F47 VanDerWaalsContact CZ2-CD2 3.44Å; W43-F47 AromaticContact CZ2-CE2 3.35Å; W43-F47 HydrophobicContact CZ2-CE2 3.35Å; W43-F47 HydrophobicContact CZ2-CG 4.13Å; W43-F47 AromaticContact CZ2-CZ 3.96Å; W43-F47 HydrophobicContact CZ2-CZ 3.96Å; S45-F47 VanDerWaalsContact C-N 3.3Å; F47-Y49 PolarHBondContact O-N 3.33Å; F47-F53 HydrophobicContact CB-CD1 4.32Å; F47-F53 HydrophobicContact CB-CE1 4.18Å
48D58.3Low73.6Confident112 Ų11268.6 Ų68.660%0.59940%0.404SS*.  trans-71.4122.8177.2-127-23.3000110.8S50 S51D48-S50 PolarHBondContact O-N 2.98Å; D48-S51 PolarHBondContact O-N 2.96Å; D48-S51 PolarHBondContact O-OG 3.15Å
49Y59.1Low73.2Confident114 Ų11467.6 Ų67.645%0.44742%0.419SS..THydrogen-bonded Turntrans-59.4-7.4-167.5-88.7-107.2000115.9F47 F53F47-Y49 PolarHBondContact O-N 3.33Å; Y49-F53 HydrophobicContact CD1-CE2 4.26Å; Y49-F53 HydrophobicContact CD1-CZ 4.03Å; Y49-F53 HydrophobicContact CD2-CZ 4.4Å; Y49-F53 HydrophobicContact CE1-CE2 4.09Å; Y49-F53 AromaticContact CE1-CZ 3.79Å; Y49-F53 HydrophobicContact CE1-CZ 3.79Å; Y49-F53 HydrophobicContact CE2-CZ 4.19Å; Y49-F53 HydrophobicContact CG-CZ 4.34Å; Y49-F53 AromaticContact CZ-CZ 3.89Å
50S57.3Low73.1Confident124 Ų12467 Ų6787%0.86742%0.415SS*.THydrogen-bonded Turntrans-70.6-28.7179.5-66.80000113.4D48D48-S50 PolarHBondContact O-N 2.98Å
51S57.3Low72.8Confident67 Ų6772 Ų7247%0.46945%0.45SS..SBendtrans-106.3116.4171.3490000109.5D48D48-S51 PolarHBondContact O-N 2.96Å; D48-S51 PolarHBondContact O-OG 3.15Å
52G64.9Low72.9Confident57 Ų5771.3 Ų71.359%0.58845%0.449SS*.PPolyproline II helixtrans-60.5135.8-174.200000113.2T54G52-T54 PolarHBondContact O-N 2.8Å
53F72.9Confident72.7Confident10 Ų1070.2 Ų70.24%0.04445%0.449CS..PPolyproline II helixtrans-49123.8-171.9-55.4-79.7000113.5W43 A44 F47 Y49 S63 F64 F83W43-F53 HydrophobicContact CH2-CB 4.43Å; W43-F53 HydrophobicContact CH2-CD1 4.38Å; W43-F53 HydrophobicContact CZ3-CB 4.33Å; W43-F53 AromaticContact CZ3-CD1 3.97Å; W43-F53 HydrophobicContact CZ3-CD1 3.97Å; A44-F53 HydrophobicContact CB-CD1 4.31Å; A44-F53 HydrophobicContact CB-CE1 3.96Å; F47-F53 HydrophobicContact CB-CD1 4.32Å; F47-F53 HydrophobicContact CB-CE1 4.18Å; Y49-F53 HydrophobicContact CD1-CE2 4.26Å; Y49-F53 HydrophobicContact CD1-CZ 4.03Å; Y49-F53 HydrophobicContact CD2-CZ 4.4Å; Y49-F53 HydrophobicContact CE1-CE2 4.09Å; Y49-F53 AromaticContact CE1-CZ 3.79Å; Y49-F53 HydrophobicContact CE1-CZ 3.79Å; Y49-F53 HydrophobicContact CE2-CZ 4.19Å; Y49-F53 HydrophobicContact CG-CZ 4.34Å; Y49-F53 AromaticContact CZ-CZ 3.89Å; F53-S63 CarbonylContact O-C 3.59Å; F53-S63 WeakPolarHBondContact O-CA 3.4Å; F53-F64 HydrophobicContact CB-CD1 4.26Å; F53-F64 HydrophobicContact CB-CD2 4.07Å; F53-F64 HydrophobicContact CB-CE1 3.92Å; F53-F64 HydrophobicContact CB-CE2 3.67Å; F53-F64 HydrophobicContact CB-CG 4.35Å; F53-F64 HydrophobicContact CB-CZ 3.61Å; F53-F64 HydrophobicContact CG-CE2 4.2Å; F53-F64 HydrophobicContact CG-CZ 4.37Å; F53-F64 PolarHBondContact O-N 3.38Å; F53-F83 HydrophobicContact CD2-CB 4.24Å; F53-F83 HydrophobicContact CD2-CD1 4.28Å; F53-F83 HydrophobicContact CD2-CG 4.41Å; F53-F83 HydrophobicContact CE2-CB 3.98Å; F53-F83 AromaticContact CE2-CD1 3.72Å; F53-F83 HydrophobicContact CE2-CD1 3.72Å; F53-F83 HydrophobicContact CE2-CG 4.16Å; F53-F83 HydrophobicContact CZ-CD1 4.13Å
54T83.1Confident72.2Confident54 Ų5468.7 Ų68.733%0.33144%0.444SS..BIsolated β-bridgetrans-95.8157169.447.20000110.8W43 G52 F64W43-T54 WeakPolarHBondContact CH2-O 3.39Å; G52-T54 PolarHBondContact O-N 2.8Å; T54-F64 VanDerWaalsContact O-CE1 3.3Å; T54-F64 WeakPolarHBondContact O-CE1 3.45Å
55C82.5Confident71.8Confident6 Ų669.3 Ų69.34%0.04145%0.448CS..PPolyproline II helixtrans-64.5130.6171.6-176.40000110.3H33 V57 C60 L62H33-C55 PolarHBondContact ND1-SG 3.36Å; H33-C55 VanDerWaalsContact ND1-SG 3.35Å; C55-V57 PolarHBondContact O-N 2.79Å; C55-V57 VanDerWaalsContact O-N 3.16Å; C55-C60 HydrophobicContact CB-CB 3.79Å; C55-C60 WeakPolarHBondContact CB-O 3.46Å; C55-C60 VanDerWaalsContact CB-SG 3.52Å; C55-L62 PolarHBondContact N-O 3.42Å; C55-L62 VanDerWaalsContact N-O 3.12Å
56P81.3Confident71.9Confident35 Ų3566.8 Ų66.823%0.22743%0.425CS..  trans-74-0.9-177.728.2-35.8000115L16 F35 L40 W43L16-P56 HydrophobicContact CD1-CG 4.2Å; L16-P56 HydrophobicContact CD2-CB 3.86Å; L16-P56 HydrophobicContact CD2-CG 4.03Å; L16-P56 HydrophobicContact CG-CG 4.2Å; F35-P56 HydrophobicContact CD1-CG 4.48Å; F35-P56 HydrophobicContact CE1-CG 3.63Å; F35-P56 HydrophobicContact CZ-CG 3.72Å; L40-P56 HydrophobicContact CD1-CG 4.06Å; W43-P56 HydrophobicContact CD2-CB 4Å; W43-P56 HydrophobicContact CD2-CG 4.24Å; W43-P56 HydrophobicContact CG-CB 4.17Å; W43-P56 HydrophobicContact CZ2-CB 4.21Å
57V81.8Confident72.3Confident28 Ų2860.3 Ų60.317%0.1739%0.39CS..SBendtrans-77.3127.5-179.6-178.90000110.4E15 H33 F35 C55 G59 C60E15-V57 HydrophobicContact CB-CG2 3.6Å; E15-V57 HydrophobicContact CG-CG2 3.88Å; H33-V57 HydrophobicContact CB-CG2 3.9Å; F35-V57 HydrophobicContact CE1-CG2 3.97Å; F35-V57 HydrophobicContact CZ-CG2 3.81Å; C55-V57 PolarHBondContact O-N 2.79Å; C55-V57 VanDerWaalsContact O-N 3.16Å; V57-G59 PolarHBondContact O-N 2.7Å; V57-C60 HydrophobicContact CB-CB 4.17Å; V57-C60 PolarHBondContact O-N 3.42Å
58S73.8Confident72.9Confident122 Ų12258.6 Ų58.685%0.85338%0.384SS*.THydrogen-bonded Turntrans-57.5102.8175.855.20000111.2
59G74.9Confident73.9Confident87 Ų8754.4 Ų54.490%0.89736%0.361SS*.THydrogen-bonded Turntrans116.7-6.3-174.900000115.1V57V57-G59 PolarHBondContact O-N 2.7Å
60C80.7Confident74.6Confident16 Ų1652.3 Ų52.311%0.10835%0.352CS..  trans-109.289.4179.4-166.40000112.4H33 C55 V57 L62H33-C60 PolarHBondContact CE1-SG 2.97Å; C55-C60 HydrophobicContact CB-CB 3.79Å; C55-C60 WeakPolarHBondContact CB-O 3.46Å; C55-C60 VanDerWaalsContact CB-SG 3.52Å; V57-C60 HydrophobicContact CB-CB 4.17Å; V57-C60 PolarHBondContact O-N 3.42Å; C60-L62 PolarHBondContact O-N 3.42Å; C60-L62 VanDerWaalsContact O-N 3.11Å
61S77Confident75.1Confident110 Ų11052.8 Ų52.877%0.76934%0.339SS*.  trans-73.27.2175.853.60000114.8S63S61-S63 PolarHBondContact O-N 2.92Å
62L80Confident75.5Confident86 Ų8653.1 Ų53.145%0.4534%0.338SS..  trans-75.8109.5-172.7-60175.7000110.8S30 C31 C55 C60S30-L62 VanDerWaalsContact O-CD1 3.31Å; S30-L62 WeakPolarHBondContact O-CD1 3.49Å; C31-L62 HydrophobicContact CB-CB 4.5Å; C31-L62 HydrophobicContact CB-CD1 4.08Å; C55-L62 PolarHBondContact N-O 3.42Å; C55-L62 VanDerWaalsContact N-O 3.12Å; C60-L62 PolarHBondContact O-N 3.42Å; C60-L62 VanDerWaalsContact O-N 3.11Å
63S76.5Confident75.3Confident78 Ų7851.8 Ų51.855%0.54532%0.319SS..BIsolated β-bridgetrans-67.5149.217271.70000112S30 F53 S61S30-S63 WeakPolarHBondContact CB-O 3.12Å; S30-S63 PolarHBondContact OG-O 3.47Å; F53-S63 CarbonylContact O-C 3.59Å; F53-S63 WeakPolarHBondContact O-CA 3.4Å; S61-S63 PolarHBondContact O-N 2.92Å
64F72.9Confident74.6Confident14 Ų1453.4 Ų53.46%0.06134%0.339CS..  trans-133.8149.5176.262.5-93.8000111.9P28 W43 F53 T54 I67P28-F64 HydrophobicContact CB-CB 3.84Å; P28-F64 HydrophobicContact CB-CD1 3.55Å; P28-F64 HydrophobicContact CB-CD2 4.18Å; P28-F64 HydrophobicContact CB-CE1 4.02Å; P28-F64 HydrophobicContact CB-CG 3.62Å; P28-F64 HydrophobicContact CG-CD1 3.97Å; P28-F64 HydrophobicContact CG-CE1 3.92Å; P28-F64 HydrophobicContact CG-CG 4.39Å; P28-F64 HydrophobicContact CG-CZ 4.34Å; W43-F64 HydrophobicContact CZ3-CE1 4.42Å; W43-F64 HydrophobicContact CZ3-CZ 4.06Å; F53-F64 HydrophobicContact CB-CD1 4.26Å; F53-F64 HydrophobicContact CB-CD2 4.07Å; F53-F64 HydrophobicContact CB-CE1 3.92Å; F53-F64 HydrophobicContact CB-CE2 3.67Å; F53-F64 HydrophobicContact CB-CG 4.35Å; F53-F64 HydrophobicContact CB-CZ 3.61Å; F53-F64 HydrophobicContact CG-CE2 4.2Å; F53-F64 HydrophobicContact CG-CZ 4.37Å; F53-F64 PolarHBondContact O-N 3.38Å; T54-F64 VanDerWaalsContact O-CE1 3.3Å; T54-F64 WeakPolarHBondContact O-CE1 3.45Å; F64-I67 HydrophobicContact CD2-CD1 4.49Å; F64-I67 HydrophobicContact CD2-CG1 3.92Å; F64-I67 HydrophobicContact CE2-CD1 3.77Å; F64-I67 HydrophobicContact CE2-CG1 3.7Å; F64-I67 HydrophobicContact CZ-CD1 4.43Å
65S68.8Low73.5Confident24 Ų2452.1 Ų52.117%0.16833%0.334CS..SBendtrans-123.93.6169.6500000113.2F83 K84S65-F83 PolarHBondContact O-N 3.25Å; S65-K84 VanDerWaalsContact CB-CE 3.41Å; S65-K84 VanDerWaalsContact CB-CG 3.48Å; S65-K84 WeakPolarHBondContact OG-CD 3.4Å; S65-K84 WeakPolarHBondContact OG-CE 3.47Å; S65-K84 PolarHBondContact OG-NZ 3.31Å
66E72.5Confident72.2Confident46 Ų4659 Ų5922%0.21537%0.369CS..EExtended strand (participates in β ladder)trans-143.9138.9179.6-73.3169.3-102.200108.6K29 V80 T81K29-E66 HydrophobicContact CB-CB 3.86Å; K29-E66 WeakPolarHBondContact CB-O 3.43Å; K29-E66 HydrophobicContact CD-CB 3.69Å; K29-E66 HydrophobicContact CD-CG 4.18Å; K29-E66 WeakPolarHBondContact CD-OE1 3.39Å; K29-E66 WeakPolarHBondContact CD-OE2 3.45Å; K29-E66 WeakPolarHBondContact CE-OE2 3.43Å; K29-E66 HydrophobicContact CG-CB 4.45Å; K29-E66 PolarHBondContact N-O 2.89Å; K29-E66 IonicContact NZ-OE1 3.77Å; K29-E66 PolarHBondContact NZ-OE1 3.34Å; K29-E66 IonicContact NZ-OE2 3.62Å; K29-E66 PolarHBondContact NZ-OE2 3.03Å; E66-V80 HydrophobicContact CB-CG1 4.09Å; E66-V80 HydrophobicContact CG-CG1 4.01Å; E66-V80 WeakPolarHBondContact OE2-CG1 3.41Å; E66-T81 CarbonylContact C-O 3.32Å; E66-T81 VanDerWaalsContact CA-O 3.27Å; E66-T81 WeakPolarHBondContact CA-O 3.4Å
67I77.6Confident70.9Confident12 Ų1263.2 Ų63.26%0.06239%0.389CS..EExtended strand (participates in β ladder)trans-114.8137.1171.9-62.5177.7000108.5C26 L40 F64 I69 V80 T81 F83C26-I67 HydrophobicContact CB-CG2 3.54Å; L40-I67 HydrophobicContact CD2-CD1 3.72Å; L40-I67 HydrophobicContact CD2-CG1 4.48Å; L40-I67 HydrophobicContact CG-CD1 4.28Å; F64-I67 HydrophobicContact CD2-CD1 4.49Å; F64-I67 HydrophobicContact CD2-CG1 3.92Å; F64-I67 HydrophobicContact CE2-CD1 3.77Å; F64-I67 HydrophobicContact CE2-CG1 3.7Å; F64-I67 HydrophobicContact CZ-CD1 4.43Å; I67-I69 HydrophobicContact CG2-CG1 4.39Å; I67-V80 WeakPolarHBondContact O-CA 3.31Å; I67-T81 PolarHBondContact N-O 3.01Å; I67-T81 PolarHBondContact O-N 2.89Å; I67-F83 HydrophobicContact CB-CE2 4.01Å; I67-F83 HydrophobicContact CD1-CD2 4.36Å; I67-F83 HydrophobicContact CD1-CE2 3.38Å; I67-F83 HydrophobicContact CD1-CZ 3.48Å; I67-F83 VanDerWaalsContact CD1-CZ 3.48Å; I67-F83 HydrophobicContact CG1-CD2 4.22Å; I67-F83 HydrophobicContact CG1-CE2 3.53Å; I67-F83 HydrophobicContact CG1-CZ 4.18Å
68L77.5Confident69.9Low29 Ų2967.5 Ų67.515%0.15241%0.406CS..EExtended strand (participates in β ladder)trans-95.1110.7171.8-63.2150.1000108.5C26 T27 K29 F78 T79 V80C26-L68 WeakPolarHBondContact CA-O 3.46Å; T27-L68 PolarHBondContact N-O 3.28Å; T27-L68 WeakPolarHBondContact O-CB 3.3Å; T27-L68 PolarHBondContact O-N 3.24Å; K29-L68 HydrophobicContact CB-CD1 4.36Å; K29-L68 HydrophobicContact CG-CD1 4.5Å; L68-F78 HydrophobicContact CB-CB 4.38Å; L68-F78 HydrophobicContact CD2-CB 3.97Å; L68-F78 HydrophobicContact CD2-CD1 4.41Å; L68-F78 HydrophobicContact CD2-CD2 3.44Å; L68-F78 VanDerWaalsContact CD2-CD2 3.44Å; L68-F78 HydrophobicContact CD2-CE2 4.01Å; L68-F78 HydrophobicContact CD2-CG 3.68Å; L68-T79 WeakPolarHBondContact CA-O 3.49Å; L68-V80 HydrophobicContact CD2-CG2 4.05Å
69I79.5Confident69.3Low24 Ų2465 Ų6512%0.12339%0.385CS..EExtended strand (participates in β ladder)trans-90.7122.1173.3-56.6174000108.5N25 I37 I67 F78 T79 T81 W140N25-I69 CarbonylContact O-C 3.48Å; N25-I69 WeakPolarHBondContact O-CA 3.19Å; I37-I69 HydrophobicContact CD1-CG2 3.69Å; I37-I69 HydrophobicContact CG1-CG2 4.33Å; I67-I69 HydrophobicContact CG2-CG1 4.39Å; I69-F78 CarbonylContact O-C 3.51Å; I69-F78 VanDerWaalsContact O-CA 3.23Å; I69-F78 WeakPolarHBondContact O-CA 3.19Å; I69-T79 PolarHBondContact N-O 3.49Å; I69-T79 PolarHBondContact O-N 3.49Å; I69-T81 WeakPolarHBondContact CD1-OG1 3.31Å; I69-W140 HydrophobicContact CD1-CH2 4.01Å
70R74.8Confident68.7Low69 Ų6963.9 Ų63.926%0.2636%0.361SS..EExtended strand (participates in β ladder)trans-114.4137.3179-59.7175.5-179.5161.3-0.2110.2E24 N25 T72 F78E24-R70 VanDerWaalsContact CA-O 3.31Å; E24-R70 WeakPolarHBondContact CA-O 3.42Å; N25-R70 PolarHBondContact N-O 2.77Å; N25-R70 PolarHBondContact ND2-O 3.3Å; N25-R70 PolarHBondContact O-N 3.15Å; R70-T72 VanDerWaalsContact C-N 3.33Å; R70-T72 PolarHBondContact O-N 2.92Å; R70-F78 HydrophobicContact CG-CB 4.37Å
71K67.9Low67.7Low135 Ų13564.1 Ų64.159%0.58736%0.362SS*.SBendtrans-68.9-28.1-178.8-63.3-156.4165.5-172.60114.5G23 E24G23-K71 CarbonylContact C-O 3.54Å; G23-K71 VanDerWaalsContact C-O 3.32Å; E24-K71 PolarHBondContact N-O 3.32Å; E24-K71 WeakPolarHBondContact OE1-CG 3.44Å
72T64.2Low66.7Low73 Ų7360.3 Ų60.345%0.44834%0.336SS..SBendtrans-143.7157.1172.653.70000109.9N25 R70 G74 A75N25-T72 VanDerWaalsContact ND2-C 3.28Å; N25-T72 PolarHBondContact ND2-O 3.37Å; R70-T72 VanDerWaalsContact C-N 3.33Å; R70-T72 PolarHBondContact O-N 2.92Å; T72-G74 PolarHBondContact O-N 3.17Å; T72-A75 PolarHBondContact O-N 2.85Å; T72-A75 WeakPolarHBondContact OG1-CB 3.26Å
73P61Low65.4Low29 Ų2958.4 Ų58.419%0.18832%0.324CS..THydrogen-bonded Turntrans-54.8133.4170.1-26.736.1000111.5Y12 I21 M34 A75Y12-P73 HydrophobicContact CD2-CB 3.36Å; Y12-P73 HydrophobicContact CD2-CG 3.9Å; Y12-P73 HydrophobicContact CE2-CB 3.47Å; Y12-P73 VanDerWaalsContact CE2-CB 3.47Å; Y12-P73 HydrophobicContact CE2-CG 4.44Å; Y12-P73 HydrophobicContact CG-CB 3.94Å; Y12-P73 HydrophobicContact CG-CG 4.38Å; I21-P73 HydrophobicContact CG2-CG 4.07Å; I21-P73 WeakPolarHBondContact O-CG 3.44Å; M34-P73 HydrophobicContact CE-CB 4.07Å; M34-P73 HydrophobicContact CE-CG 4.28Å; P73-A75 VanDerWaalsContact C-N 3.29Å; P73-A75 PolarHBondContact O-N 3.2Å
74G57.8Low64.2Low45 Ų4562.1 Ų62.146%0.46433%0.33SS..THydrogen-bonded Turntrans75.7-1.8178.900000116.9T72T72-G74 PolarHBondContact O-N 3.17Å
75A60.1Low63.3Low27 Ų2768.2 Ų68.222%0.22336%0.359CS..  trans-71.6144.4177.300000113.4T72 P73 N77T72-A75 PolarHBondContact O-N 2.85Å; T72-A75 WeakPolarHBondContact OG1-CB 3.26Å; P73-A75 VanDerWaalsContact C-N 3.29Å; P73-A75 PolarHBondContact O-N 3.2Å; A75-N77 VanDerWaalsContact C-N 3.27Å; A75-N77 PolarHBondContact O-N 3.36Å
76I56.9Low62.7Low150 Ų15073.1 Ų73.177%0.76938%0.383SS*.SBendtrans-72.4-22.8175.8-38.3176.1000111.4F78I76-F78 WeakPolarHBondContact O-CD1 3.49Å; I76-F78 PolarHBondContact O-N 2.92Å
77N52.5Low62.5Low123 Ų12374.1 Ų74.166%0.65839%0.387SS*.  trans-76106.2-179.3-65.7-8.9000110.2A75A75-N77 VanDerWaalsContact C-N 3.27Å; A75-N77 PolarHBondContact O-N 3.36Å
78F61.8Low62.7Low119 Ų11977.1 Ų77.152%0.52240%0.401SS..EExtended strand (participates in β ladder)trans-119.5142.3174.359.8-97.6000112.1L68 I69 R70 I76 V80L68-F78 HydrophobicContact CB-CB 4.38Å; L68-F78 HydrophobicContact CD2-CB 3.97Å; L68-F78 HydrophobicContact CD2-CD1 4.41Å; L68-F78 HydrophobicContact CD2-CD2 3.44Å; L68-F78 VanDerWaalsContact CD2-CD2 3.44Å; L68-F78 HydrophobicContact CD2-CE2 4.01Å; L68-F78 HydrophobicContact CD2-CG 3.68Å; I69-F78 CarbonylContact O-C 3.51Å; I69-F78 VanDerWaalsContact O-CA 3.23Å; I69-F78 WeakPolarHBondContact O-CA 3.19Å; R70-F78 HydrophobicContact CG-CB 4.37Å; I76-F78 WeakPolarHBondContact O-CD1 3.49Å; I76-F78 PolarHBondContact O-N 2.92Å; F78-V80 HydrophobicContact CD2-CG2 3.63Å; F78-V80 HydrophobicContact CE2-CG2 3.67Å
79T60.7Low63.1Low68 Ų6875.7 Ų75.742%0.41739%0.394SS..EExtended strand (participates in β ladder)trans-98.8130.6162.9-49.60000108L68 I69L68-T79 WeakPolarHBondContact CA-O 3.49Å; I69-T79 PolarHBondContact N-O 3.49Å; I69-T79 PolarHBondContact O-N 3.49Å
80V61.9Low63.5Low64 Ų6477.2 Ų77.239%0.38841%0.405SS..EExtended strand (participates in β ladder)trans-94.8113.9176.4-176.10000109.1E66 I67 L68 F78E66-V80 HydrophobicContact CB-CG1 4.09Å; E66-V80 HydrophobicContact CG-CG1 4.01Å; E66-V80 WeakPolarHBondContact OE2-CG1 3.41Å; I67-V80 WeakPolarHBondContact O-CA 3.31Å; L68-V80 HydrophobicContact CD2-CG2 4.05Å; F78-V80 HydrophobicContact CD2-CG2 3.63Å; F78-V80 HydrophobicContact CE2-CG2 3.67Å
81T59.9Low64Low22 Ų2277.1 Ų77.114%0.13541%0.409CS..EExtended strand (participates in β ladder)trans-98.9110172.4-54.60000108.9E66 I67 I69 F83 W140E66-T81 CarbonylContact C-O 3.32Å; E66-T81 VanDerWaalsContact CA-O 3.27Å; E66-T81 WeakPolarHBondContact CA-O 3.4Å; I67-T81 PolarHBondContact N-O 3.01Å; I67-T81 PolarHBondContact O-N 2.89Å; I69-T81 WeakPolarHBondContact CD1-OG1 3.31Å; T81-F83 HydrophobicContact CG2-CD2 4.5Å; T81-F83 HydrophobicContact CG2-CE2 3.81Å; T81-F83 HydrophobicContact CG2-CZ 4.17Å; T81-F83 WeakPolarHBondContact O-CD2 3.39Å; T81-F83 WeakPolarHBondContact O-CE2 3.47Å; T81-W140 HydrophobicContact CG2-CZ3 4.3Å
82S56.6Low65Low30 Ų3072.6 Ų72.621%0.2139%0.394CS..EExtended strand (participates in β ladder)trans-87.2126.9177.3-179.30000111.4H87S82-H87 PolarHBondContact O-CE1 3.33Å
83F52.7Low66Low46 Ų4672.4 Ų72.420%0.20240%0.395CS..SBendtrans-95.5-13176.7-69.2-103000112.2F53 S65 I67 T81F53-F83 HydrophobicContact CD2-CB 4.24Å; F53-F83 HydrophobicContact CD2-CD1 4.28Å; F53-F83 HydrophobicContact CD2-CG 4.41Å; F53-F83 HydrophobicContact CE2-CB 3.98Å; F53-F83 AromaticContact CE2-CD1 3.72Å; F53-F83 HydrophobicContact CE2-CD1 3.72Å; F53-F83 HydrophobicContact CE2-CG 4.16Å; F53-F83 HydrophobicContact CZ-CD1 4.13Å; S65-F83 PolarHBondContact O-N 3.25Å; I67-F83 HydrophobicContact CB-CE2 4.01Å; I67-F83 HydrophobicContact CD1-CD2 4.36Å; I67-F83 HydrophobicContact CD1-CE2 3.38Å; I67-F83 HydrophobicContact CD1-CZ 3.48Å; I67-F83 VanDerWaalsContact CD1-CZ 3.48Å; I67-F83 HydrophobicContact CG1-CD2 4.22Å; I67-F83 HydrophobicContact CG1-CE2 3.53Å; I67-F83 HydrophobicContact CG1-CZ 4.18Å; T81-F83 HydrophobicContact CG2-CD2 4.5Å; T81-F83 HydrophobicContact CG2-CE2 3.81Å; T81-F83 HydrophobicContact CG2-CZ 4.17Å; T81-F83 WeakPolarHBondContact O-CD2 3.39Å; T81-F83 WeakPolarHBondContact O-CE2 3.47Å
84K51.6Low67.1Low156 Ų15675.3 Ų75.368%0.67841%0.406SS*.SBendtrans-83.7-20.7176.2-96.2177-168.4148.10113.7S65 N86S65-K84 VanDerWaalsContact CB-CE 3.41Å; S65-K84 VanDerWaalsContact CB-CG 3.48Å; S65-K84 WeakPolarHBondContact OG-CD 3.4Å; S65-K84 WeakPolarHBondContact OG-CE 3.47Å; S65-K84 PolarHBondContact OG-NZ 3.31Å; K84-N86 PolarHBondContact O-N 2.99Å
85E53.7Low68.3Low142 Ų14281.9 Ų81.966%0.66442%0.417SS*.SBendtrans-74.898.4170-77.4179-133.400109.4H87E85-H87 PolarHBondContact O-N 3.23Å; E85-H87 PolarHBondContact O-ND1 2.83Å
86N55.7Low69.5Low127 Ų12782 Ų8268%0.67941%0.413SS*.  trans-36.9112.3172.6-77.8-75.2000110.2K84 Q88K84-N86 PolarHBondContact O-N 2.99Å; N86-Q88 HydrophobicContact CB-CG 4.35Å; N86-Q88 PolarHBondContact O-N 3.31Å
87H68.1Low70.7Confident66 Ų6680.8 Ų80.831%0.30640%0.399SS..  trans-71.845.7-178.6-56.6-21000112.3S82 E85 R95 I96S82-H87 PolarHBondContact O-CE1 3.33Å; E85-H87 PolarHBondContact O-N 3.23Å; E85-H87 PolarHBondContact O-ND1 2.83Å; H87-R95 CarbonylContact O-C 3.59Å; H87-R95 VanDerWaalsContact O-CA 3.23Å; H87-R95 WeakPolarHBondContact O-CA 3.32Å; H87-I96 PolarHBondContact O-N 3.47Å
88Q81.9Confident72.3Confident75 Ų7581.6 Ų81.635%0.3540%0.397SS..BIsolated β-bridgetrans-102.5134.4179.1-63.6175.618.600108.8N86 P90 E94N86-Q88 HydrophobicContact CB-CG 4.35Å; N86-Q88 PolarHBondContact O-N 3.31Å; Q88-P90 WeakPolarHBondContact O-CD 3.39Å; Q88-E94 CarbonylContact C-O 3.51Å; Q88-E94 WeakPolarHBondContact CA-O 3.33Å
89C87Confident73.5Confident0 Ų078.4 Ų78.40%039%0.388CS..  trans-69.6126.11761760000109.5I91 C92 C93 E94 I96 C111C89-I91 PolarHBondContact O-N 2.8Å; C89-C92 PolarHBondContact O-N 2.73Å; C89-C93 WeakPolarHBondContact O-CA 3.39Å; C89-C93 PolarHBondContact O-N 3.19Å; C89-E94 PolarHBondContact N-O 3.5Å; C89-I96 HydrophobicContact CB-CG1 3.97Å; C89-C111 HydrophobicContact CB-CB 4.22Å; C89-C111 VanDerWaalsContact CB-SG 3.53Å; C89-C111 PolarHBondContact SG-N 2.91Å
90P86.4Confident74.8Confident56 Ų5675.4 Ų75.436%0.36437%0.369SS..THydrogen-bonded Turntrans-55-29.8-179.7-26.732.2000114.3Q88 A109 F110 L127Q88-P90 WeakPolarHBondContact O-CD 3.39Å; P90-A109 WeakPolarHBondContact CD-O 3.3Å; P90-F110 HydrophobicContact CB-CD1 4.43Å; P90-F110 HydrophobicContact CB-CE1 4.02Å; P90-F110 HydrophobicContact CG-CD1 4.11Å; P90-F110 HydrophobicContact CG-CE1 3.8Å; P90-L127 HydrophobicContact CB-CD1 4.37Å; P90-L127 HydrophobicContact CB-CD2 4.05Å; P90-L127 HydrophobicContact CB-CG 4.35Å; P90-L127 HydrophobicContact CG-CD1 3.77Å; P90-L127 HydrophobicContact CG-CD2 4.33Å; P90-L127 HydrophobicContact CG-CG 4.26Å
91I86.4Confident76.2Confident67 Ų6772.3 Ų72.334%0.34435%0.351SS..THydrogen-bonded Turntrans-77.6-40.2-176.7-56.3162.4000112.2C89 F110 C114 P126C89-I91 PolarHBondContact O-N 2.8Å; I91-F110 HydrophobicContact CD1-CB 4.38Å; I91-F110 HydrophobicContact CD1-CD1 3.53Å; I91-F110 HydrophobicContact CD1-CE1 4.12Å; I91-F110 HydrophobicContact CD1-CG 4.18Å; I91-F110 HydrophobicContact CG1-CD1 3.79Å; I91-F110 HydrophobicContact CG1-CE1 4.11Å; I91-C114 HydrophobicContact CB-CB 3.83Å; I91-C114 HydrophobicContact CD1-CB 3.59Å; I91-C114 HydrophobicContact CG1-CB 4.32Å; I91-C114 HydrophobicContact CG2-CB 3.86Å; I91-P126 HydrophobicContact CD1-CG 4.01Å; I91-P126 HydrophobicContact CG1-CB 4.44Å; I91-P126 HydrophobicContact CG1-CG 4.15Å
92C88.6Confident77.7Confident40 Ų4072.5 Ų72.527%0.2735%0.352SS..THydrogen-bonded Turntrans-111.8-6.6-175.574.90000115.1C89 E94C89-C92 PolarHBondContact O-N 2.73Å; C92-E94 PolarHBondContact O-N 3.14Å
93C84.1Confident79.4Confident68 Ų6871.1 Ų71.146%0.45934%0.342SS..  trans56.910.7-177.1-67.40000115.8C89C89-C93 WeakPolarHBondContact O-CA 3.39Å; C89-C93 PolarHBondContact O-N 3.19Å
94E84.2Confident81.1Confident90 Ų9073.3 Ų73.342%0.42135%0.353SS..SBendtrans-96160.8171.9-58.6171.7112.600110.4Q88 C89 C92 I96 R97Q88-E94 CarbonylContact C-O 3.51Å; Q88-E94 WeakPolarHBondContact CA-O 3.33Å; C89-E94 PolarHBondContact N-O 3.5Å; C92-E94 PolarHBondContact O-N 3.14Å; E94-I96 PolarHBondContact O-N 3.1Å; E94-R97 IonicContact OE1-CZ 3.67Å; E94-R97 IonicContact OE1-NH1 2.76Å; E94-R97 IonicContact OE1-NH2 2.75Å; E94-R97 PolarHBondContact OE1-NH2 2.91Å; E94-R97 IonicContact OE2-CZ 2.92Å; E94-R97 VanDerWaalsContact OE2-CZ 3.27Å; E94-R97 IonicContact OE2-NH1 3.84Å; E94-R97 PolarHBondContact OE2-NH1 2.93Å; E94-R97 IonicContact OE2-NH2 3.89Å; E94-R97 PolarHBondContact OE2-NH2 3.33Å
95R82.8Confident82.8Confident183 Ų18368.4 Ų68.469%0.69134%0.338SS*.BIsolated β-bridgetrans-51.9135.3171.8-74.1-171.2-179.8-166.50.3110.7H87 R97H87-R95 CarbonylContact O-C 3.59Å; H87-R95 VanDerWaalsContact O-CA 3.23Å; H87-R95 WeakPolarHBondContact O-CA 3.32Å; R95-R97 PolarHBondContact O-N 3.17Å
96I85.5Confident84.4Confident29 Ų2962.4 Ų62.415%0.14931%0.312CS..PPolyproline II helixtrans-60.2119.4-175.2-62.8168.3000109.3H87 C89 E94 V100 A109 V141H87-I96 PolarHBondContact O-N 3.47Å; C89-I96 HydrophobicContact CB-CG1 3.97Å; E94-I96 PolarHBondContact O-N 3.1Å; I96-V100 HydrophobicContact CG2-CB 4.33Å; I96-V100 HydrophobicContact CG2-CG1 4.17Å; I96-V100 HydrophobicContact CG2-CG2 3.87Å; I96-A109 HydrophobicContact CD1-CB 4.02Å; I96-V141 HydrophobicContact CD1-CG2 3.84Å
97R83.5Confident85.9Confident126 Ų12664.2 Ų64.248%0.47532%0.322SS..PPolyproline II helixtrans-82.1131.6177.8-63.5-173.2178.995.24.2110.1E94 R95 P99 C111E94-R97 IonicContact OE1-CZ 3.67Å; E94-R97 IonicContact OE1-NH1 2.76Å; E94-R97 IonicContact OE1-NH2 2.75Å; E94-R97 PolarHBondContact OE1-NH2 2.91Å; E94-R97 IonicContact OE2-CZ 2.92Å; E94-R97 VanDerWaalsContact OE2-CZ 3.27Å; E94-R97 IonicContact OE2-NH1 3.84Å; E94-R97 PolarHBondContact OE2-NH1 2.93Å; E94-R97 IonicContact OE2-NH2 3.89Å; E94-R97 PolarHBondContact OE2-NH2 3.33Å; R95-R97 PolarHBondContact O-N 3.17Å; R97-P99 CarbonylContact O-C 3.58Å; R97-P99 VanDerWaalsContact O-O 3.09Å; R97-C111 PolarHBondContact N-SG 2.96Å
98K84.4Confident86.8Confident140 Ų14064.1 Ų64.161%0.60932%0.321SS*.SBendtrans-62.6143.7172.1-56.9-170.3177.4-140.60110.7D139K98-D139 WeakPolarHBondContact CD-O 3.41Å; K98-D139 WeakPolarHBondContact CE-O 3.44Å; K98-D139 WeakPolarHBondContact CG-O 3.48Å; K98-D139 PolarHBondContact NZ-O 3.04Å
99P87Confident87.2Confident51 Ų5161.4 Ų61.433%0.33131%0.311SS..SBendcis-68.8139.6-8.829.8-34.2000111.6R97 Y112 L137R97-P99 CarbonylContact O-C 3.58Å; R97-P99 VanDerWaalsContact O-O 3.09Å; P99-Y112 HydrophobicContact CG-CD1 4.44Å; P99-Y112 HydrophobicContact CG-CG 4.42Å; P99-Y112 WeakPolarHBondContact O-CB 3.42Å; P99-Y112 PolarHBondContact O-N 3.12Å; P99-L137 HydrophobicContact CB-CB 4.35Å; P99-L137 HydrophobicContact CG-CD1 4.43Å
100V89.7Confident87.4Confident5 Ų561.4 Ų61.43%0.0331%0.311CS..EExtended strand (participates in β ladder)trans-66.8138169.9-177.60000108I96 A109 L137 S138 V141I96-V100 HydrophobicContact CG2-CB 4.33Å; I96-V100 HydrophobicContact CG2-CG1 4.17Å; I96-V100 HydrophobicContact CG2-CG2 3.87Å; V100-A109 HydrophobicContact CG1-CB 3.91Å; V100-L137 VanDerWaalsContact O-CA 3.3Å; V100-L137 WeakPolarHBondContact O-CA 3.41Å; V100-S138 WeakPolarHBondContact CB-O 3.07Å; V100-S138 PolarHBondContact N-O 2.92Å; V100-S138 PolarHBondContact O-N 3.49Å; V100-V141 HydrophobicContact CG1-CG2 4.16Å; V100-V141 HydrophobicContact CG2-CG2 4.18Å
101A91.2Very high87.5Confident0 Ų058.9 Ų58.90%030%0.295CS..EExtended strand (participates in β ladder)trans-117.4125.2176.100000110.9F110 Y112 L115 I135 L136 L137A101-F110 PolarHBondContact N-O 3.45Å; A101-F110 PolarHBondContact O-N 3.31Å; A101-Y112 HydrophobicContact CB-CD2 4.37Å; A101-L115 HydrophobicContact CB-CB 4.37Å; A101-L115 HydrophobicContact CB-CD2 4.08Å; A101-I135 HydrophobicContact CB-CG2 3.72Å; A101-L136 WeakPolarHBondContact CA-O 3.48Å; A101-L137 HydrophobicContact CB-CD2 3.72Å
102T91.4Very high87.8Confident25 Ų2558 Ų5815%0.15329%0.288CS..EExtended strand (participates in β ladder)trans-112.9141.3167.249.80000109A109 L136T102-A109 HydrophobicContact CG2-CB 4.26Å; T102-L136 PolarHBondContact N-O 2.84Å; T102-L136 PolarHBondContact O-N 2.99Å
103P91.7Very high87.9Confident2 Ų261.7 Ų61.71%0.01330%0.304CS..EExtended strand (participates in β ladder)trans-70.9153.1168.433.2-35.2000109.6S105 C106 H108 L115 C125 Y132P103-S105 PolarHBondContact O-N 3.03Å; P103-C106 WeakPolarHBondContact CG-SG 3.31Å; P103-C106 PolarHBondContact O-N 3.08Å; P103-H108 WeakPolarHBondContact CD-O 2.97Å; P103-L115 HydrophobicContact CB-CD2 4.47Å; P103-C125 HydrophobicContact CG-CB 4.31Å; P103-Y132 HydrophobicContact CB-CD1 3.35Å; P103-Y132 HydrophobicContact CB-CD2 3.88Å; P103-Y132 HydrophobicContact CB-CE1 3.82Å; P103-Y132 HydrophobicContact CB-CE2 4.32Å; P103-Y132 HydrophobicContact CB-CG 3.4Å; P103-Y132 HydrophobicContact CG-CD1 4.42Å
104E89Confident88.3Confident91 Ų9159.4 Ų59.443%0.42529%0.288SS..THydrogen-bonded Turntrans-65.5-21.9178.1-176.7162.4-123.700113.7L134 L136 R148E104-L134 HydrophobicContact CB-CB 4.12Å; E104-L134 PolarHBondContact N-O 2.96Å; E104-L134 WeakPolarHBondContact OE2-CB 3.24Å; E104-L134 WeakPolarHBondContact OE2-CD1 3.21Å; E104-L136 HydrophobicContact CB-CD1 4.39Å; E104-L136 HydrophobicContact CB-CG 4.4Å; E104-R148 IonicContact OE1-CZ 3.05Å; E104-R148 IonicContact OE1-NH1 2.68Å; E104-R148 PolarHBondContact OE1-NH1 3.37Å
105S86.1Confident88.7Confident53 Ų5355.1 Ų55.137%0.37127%0.268SS..THydrogen-bonded Turntrans-76.7-22.1-178.3580000115.4P103 G130 V131P103-S105 PolarHBondContact O-N 3.03Å; S105-G130 PolarHBondContact OG-O 3.45Å; S105-G130 VanDerWaalsContact OG-O 3.1Å; S105-V131 VanDerWaalsContact CB-O 3.31Å; S105-V131 WeakPolarHBondContact CB-O 3.3Å
106C87.4Confident89.1Confident17 Ų1750 Ų5012%0.11525%0.251CS..SBendtrans-162.9157.7-173.758.80000113.4P103 H108 C125 D128P103-C106 WeakPolarHBondContact CG-SG 3.31Å; P103-C106 PolarHBondContact O-N 3.08Å; C106-H108 PolarHBondContact O-N 2.88Å; C106-H108 PolarHBondContact SG-ND1 2.93Å; C106-H108 VanDerWaalsContact SG-ND1 3.4Å; C106-C125 PolarHBondContact SG-SG 3.41Å; C106-D128 WeakPolarHBondContact CB-OD2 3.4Å; C106-D128 PolarHBondContact SG-OD1 3.49Å; C106-D128 VanDerWaalsContact SG-OD1 3.41Å; C106-D128 PolarHBondContact SG-OD2 3.16Å
107N86.5Confident89.3Confident165 Ų16553.3 Ų53.388%0.88227%0.266SS*.  trans-7612.6-174.8-61.9-24.8000114.5A109N107-A109 PolarHBondContact O-N 3.41Å
108H88.1Confident89.6Confident64 Ų6451.9 Ų51.930%0.29626%0.26SS..  trans-72.9120.7-175.5-73119.7000112.3P103 C106 F110 L127 D128P103-H108 WeakPolarHBondContact CD-O 2.97Å; C106-H108 PolarHBondContact O-N 2.88Å; C106-H108 PolarHBondContact SG-ND1 2.93Å; C106-H108 VanDerWaalsContact SG-ND1 3.4Å; H108-F110 HydrophobicContact CB-CE2 3.63Å; H108-F110 HydrophobicContact CB-CZ 3.92Å; H108-F110 WeakPolarHBondContact O-CD2 3.43Å; H108-F110 WeakPolarHBondContact O-CE2 3.33Å; H108-L127 HydrophobicContact CB-CD1 4.14Å; H108-L127 WeakPolarHBondContact CD2-CD1 3.45Å; H108-D128 IonicContact CE1-OD2 3.36Å; H108-D128 PolarHBondContact CE1-OD2 3.4Å; H108-D128 IonicContact ND1-OD1 3.23Å; H108-D128 IonicContact ND1-OD2 2.65Å; H108-D128 PolarHBondContact ND1-OD2 3.32Å
109A90Very high89.9Confident17 Ų1745.2 Ų45.214%0.1423%0.231CC..  trans-95.4132.7-172.800000113.9P90 I96 V100 T102 N107 V141P90-A109 WeakPolarHBondContact CD-O 3.3Å; I96-A109 HydrophobicContact CD1-CB 4.02Å; V100-A109 HydrophobicContact CG1-CB 3.91Å; T102-A109 HydrophobicContact CG2-CB 4.26Å; N107-A109 PolarHBondContact O-N 3.41Å; A109-V141 HydrophobicContact CB-CG1 3.8Å; A109-V141 HydrophobicContact CB-CG2 4.21Å
110F90.8Very high89.9Confident0 Ų047 Ų470%023%0.232CC..EExtended strand (participates in β ladder)trans-134.9163.3-178-55.1-87.7000111.7P90 I91 A101 H108 L115 P126 L127P90-F110 HydrophobicContact CB-CD1 4.43Å; P90-F110 HydrophobicContact CB-CE1 4.02Å; P90-F110 HydrophobicContact CG-CD1 4.11Å; P90-F110 HydrophobicContact CG-CE1 3.8Å; I91-F110 HydrophobicContact CD1-CB 4.38Å; I91-F110 HydrophobicContact CD1-CD1 3.53Å; I91-F110 HydrophobicContact CD1-CE1 4.12Å; I91-F110 HydrophobicContact CD1-CG 4.18Å; I91-F110 HydrophobicContact CG1-CD1 3.79Å; I91-F110 HydrophobicContact CG1-CE1 4.11Å; A101-F110 PolarHBondContact N-O 3.45Å; A101-F110 PolarHBondContact O-N 3.31Å; H108-F110 HydrophobicContact CB-CE2 3.63Å; H108-F110 HydrophobicContact CB-CZ 3.92Å; H108-F110 WeakPolarHBondContact O-CD2 3.43Å; H108-F110 WeakPolarHBondContact O-CE2 3.33Å; F110-L115 HydrophobicContact CB-CB 4.03Å; F110-L115 HydrophobicContact CD2-CD1 3.89Å; F110-L115 HydrophobicContact CD2-CD2 4.05Å; F110-L115 HydrophobicContact CD2-CG 4.41Å; F110-L115 HydrophobicContact CE2-CD1 4.15Å; F110-L115 HydrophobicContact CG-CB 4.45Å; F110-L115 HydrophobicContact CG-CD1 4.24Å; F110-P126 HydrophobicContact CE1-CB 4.03Å; F110-P126 HydrophobicContact CE1-CG 3.87Å; F110-P126 HydrophobicContact CZ-CB 4.23Å; F110-P126 HydrophobicContact CZ-CG 4Å; F110-L127 HydrophobicContact CE1-CG 4.35Å; F110-L127 HydrophobicContact CZ-CD1 4.25Å; F110-L127 HydrophobicContact CZ-CG 4.13Å
111C90Very high89.8Confident3 Ų351.2 Ų51.22%0.0226%0.257CS..EExtended strand (participates in β ladder)trans-64.5132.3161.4-70.20000109.2C89 R97 I113 C114 L115C89-C111 HydrophobicContact CB-CB 4.22Å; C89-C111 VanDerWaalsContact CB-SG 3.53Å; C89-C111 PolarHBondContact SG-N 2.91Å; R97-C111 PolarHBondContact N-SG 2.96Å; C111-I113 VanDerWaalsContact C-N 3.26Å; C111-I113 PolarHBondContact O-N 3.23Å; C111-C114 HydrophobicContact CB-CB 4.04Å; C111-C114 PolarHBondContact O-N 3.46Å; C111-L115 PolarHBondContact O-N 3.19Å; C111-L115 VanDerWaalsContact O-N 3.09Å
112Y92Very high89.6Confident48 Ų4857.3 Ų57.319%0.18828%0.28CS..Hα-helixtrans-50.2-44.2176.7171.3-122.4000113.6P99 A101 C114 K116 L137P99-Y112 HydrophobicContact CG-CD1 4.44Å; P99-Y112 HydrophobicContact CG-CG 4.42Å; P99-Y112 WeakPolarHBondContact O-CB 3.42Å; P99-Y112 PolarHBondContact O-N 3.12Å; A101-Y112 HydrophobicContact CB-CD2 4.37Å; Y112-C114 VanDerWaalsContact C-N 3.28Å; Y112-C114 PolarHBondContact O-N 3.37Å; Y112-K116 HydrophobicContact CD2-CB 4.48Å; Y112-K116 HydrophobicContact CE1-CD 4.06Å; Y112-K116 HydrophobicContact CE2-CB 4.29Å; Y112-K116 HydrophobicContact CE2-CD 4.11Å; Y112-K116 WeakPolarHBondContact O-CB 3.47Å; Y112-K116 PolarHBondContact O-N 3.03Å; Y112-K116 WeakPolarHBondContact OH-CE 3.35Å; Y112-K116 PolarHBondContact OH-NZ 2.97Å; Y112-L137 HydrophobicContact CD2-CD1 4.3Å; Y112-L137 HydrophobicContact CD2-CD2 3.51Å; Y112-L137 HydrophobicContact CE2-CD1 4.26Å; Y112-L137 HydrophobicContact CE2-CD2 4.12Å; Y112-L137 HydrophobicContact CG-CD2 4.05Å
113I91.4Very high89.5Confident118 Ų11858.7 Ų58.761%0.60529%0.285SS*.Hα-helixtrans-58.8-40.9178.4-58.3174.5000111.2C111 E117C111-I113 VanDerWaalsContact C-N 3.26Å; C111-I113 PolarHBondContact O-N 3.23Å; I113-E117 WeakPolarHBondContact O-CB 3.38Å; I113-E117 PolarHBondContact O-N 3.04Å
114C92.5Very high89.5Confident21 Ų2161.4 Ų61.414%0.14230%0.298CS..Hα-helixtrans-74.4-45.4-175.3-610000111.9I91 C111 Y112 K116 E117 W118I91-C114 HydrophobicContact CB-CB 3.83Å; I91-C114 HydrophobicContact CD1-CB 3.59Å; I91-C114 HydrophobicContact CG1-CB 4.32Å; I91-C114 HydrophobicContact CG2-CB 3.86Å; C111-C114 HydrophobicContact CB-CB 4.04Å; C111-C114 PolarHBondContact O-N 3.46Å; Y112-C114 VanDerWaalsContact C-N 3.28Å; Y112-C114 PolarHBondContact O-N 3.37Å; C114-K116 VanDerWaalsContact C-N 3.32Å; C114-K116 PolarHBondContact O-N 3.49Å; C114-E117 PolarHBondContact O-N 2.95Å; C114-W118 WeakPolarHBondContact O-CB 3.46Å; C114-W118 PolarHBondContact O-N 2.92Å
115L91.3Very high89.5Confident0 Ų057.1 Ų57.10%028%0.278CS..Hα-helixtrans-67.5-34.3176.2-166.665.5000111.6A101 P103 F110 C111 S119 P126 Y132 I135A101-L115 HydrophobicContact CB-CB 4.37Å; A101-L115 HydrophobicContact CB-CD2 4.08Å; P103-L115 HydrophobicContact CB-CD2 4.47Å; F110-L115 HydrophobicContact CB-CB 4.03Å; F110-L115 HydrophobicContact CD2-CD1 3.89Å; F110-L115 HydrophobicContact CD2-CD2 4.05Å; F110-L115 HydrophobicContact CD2-CG 4.41Å; F110-L115 HydrophobicContact CE2-CD1 4.15Å; F110-L115 HydrophobicContact CG-CB 4.45Å; F110-L115 HydrophobicContact CG-CD1 4.24Å; C111-L115 PolarHBondContact O-N 3.19Å; C111-L115 VanDerWaalsContact O-N 3.09Å; L115-S119 WeakPolarHBondContact O-CB 3.46Å; L115-S119 PolarHBondContact O-N 3.13Å; L115-S119 PolarHBondContact O-OG 3.06Å; L115-P126 HydrophobicContact CD1-CG 4.35Å; L115-Y132 HydrophobicContact CD1-CE1 4.41Å; L115-Y132 VanDerWaalsContact CD1-OH 3.32Å; L115-Y132 WeakPolarHBondContact CD1-OH 3.48Å; L115-I135 HydrophobicContact CD2-CD1 4.32Å; L115-I135 HydrophobicContact CD2-CG1 4.11Å; L115-I135 HydrophobicContact CD2-CG2 4.02Å; L115-I135 HydrophobicContact CG-CD1 4.22Å; L115-I135 HydrophobicContact CG-CG1 4.48Å
116K91.3Very high89.7Confident76 Ų7656.5 Ų56.533%0.3327%0.272SS..Hα-helixtrans-66.5-33.2173.5-173.1-179.4-166.1167.10113.5Y112 C114 S119Y112-K116 HydrophobicContact CD2-CB 4.48Å; Y112-K116 HydrophobicContact CE1-CD 4.06Å; Y112-K116 HydrophobicContact CE2-CB 4.29Å; Y112-K116 HydrophobicContact CE2-CD 4.11Å; Y112-K116 WeakPolarHBondContact O-CB 3.47Å; Y112-K116 PolarHBondContact O-N 3.03Å; Y112-K116 WeakPolarHBondContact OH-CE 3.35Å; Y112-K116 PolarHBondContact OH-NZ 2.97Å; C114-K116 VanDerWaalsContact C-N 3.32Å; C114-K116 PolarHBondContact O-N 3.49Å; K116-S119 WeakPolarHBondContact CA-OG 3.38Å; K116-S119 PolarHBondContact O-OG 3.46Å
117E89.5Confident89.6Confident98 Ų9860.2 Ų60.246%0.45829%0.29SS..Hα-helixtrans-76.7-42.7175.9-159.162.6-130.700110.5I113 C114 S119 R120I113-E117 WeakPolarHBondContact O-CB 3.38Å; I113-E117 PolarHBondContact O-N 3.04Å; C114-E117 PolarHBondContact O-N 2.95Å; E117-S119 PolarHBondContact O-N 2.71Å; E117-R120 WeakPolarHBondContact O-CB 3.21Å; E117-R120 PolarHBondContact O-N 2.95Å; E117-R120 VanDerWaalsContact O-N 3.15Å; E117-R120 WeakPolarHBondContact OE1-CD 3.45Å; E117-R120 IonicContact OE1-CZ 2.68Å; E117-R120 IonicContact OE1-NE 3.29Å; E117-R120 IonicContact OE1-NH1 2.66Å; E117-R120 PolarHBondContact OE1-NH1 3.23Å; E117-R120 IonicContact OE2-CZ 2.75Å; E117-R120 VanDerWaalsContact OE2-CZ 3.29Å; E117-R120 IonicContact OE2-NE 3.46Å; E117-R120 IonicContact OE2-NH1 3.36Å; E117-R120 PolarHBondContact OE2-NH1 2.81Å; E117-R120 IonicContact OE2-NH2 3.87Å
118W90.9Very high89.8Confident95 Ų9555.9 Ų55.936%0.3627%0.267SS..Hα-helixtrans-59.1-43.8174.6-179.4-93.9000113C114 R120 V121 R122 E124 P126C114-W118 WeakPolarHBondContact O-CB 3.46Å; C114-W118 PolarHBondContact O-N 2.92Å; W118-R120 PolarHBondContact O-N 3.35Å; W118-R120 VanDerWaalsContact O-N 3.11Å; W118-V121 WeakPolarHBondContact O-CA 3.34Å; W118-V121 WeakPolarHBondContact O-CB 3.45Å; W118-V121 PolarHBondContact O-N 3Å; W118-R122 PolarHBondContact O-N 2.75Å; W118-E124 PolarHBondContact NE1-O 3.27Å; W118-P126 HydrophobicContact CD2-CG 3.98Å; W118-P126 HydrophobicContact CG-CG 3.9Å
119S90Very high89.8Confident0 Ų061.9 Ų61.90%029%0.287CS..THydrogen-bonded Turntrans-67.2-6.4177.445.80000115.1L115 K116 E117 V121 R122 H123 P152L115-S119 WeakPolarHBondContact O-CB 3.46Å; L115-S119 PolarHBondContact O-N 3.13Å; L115-S119 PolarHBondContact O-OG 3.06Å; K116-S119 WeakPolarHBondContact CA-OG 3.38Å; K116-S119 PolarHBondContact O-OG 3.46Å; E117-S119 PolarHBondContact O-N 2.71Å; S119-V121 VanDerWaalsContact C-N 3.3Å; S119-R122 WeakPolarHBondContact CA-O 3.4Å; S119-H123 PolarHBondContact O-CD2 3.03Å; S119-H123 PolarHBondContact O-NE2 3.38Å; S119-H123 VanDerWaalsContact O-NE2 3.15Å; S119-P152 VanDerWaalsContact OG-CD 3.31Å; S119-P152 WeakPolarHBondContact OG-CD 3.45Å
120R88.1Confident89.6Confident88 Ų8862.1 Ų62.133%0.33229%0.291SS..THydrogen-bonded Turntrans-75.7-21165.1-66.2168.6173.1175.93.9112.8E117 W118 P152 V154 K155E117-R120 WeakPolarHBondContact O-CB 3.21Å; E117-R120 PolarHBondContact O-N 2.95Å; E117-R120 VanDerWaalsContact O-N 3.15Å; E117-R120 WeakPolarHBondContact OE1-CD 3.45Å; E117-R120 IonicContact OE1-CZ 2.68Å; E117-R120 IonicContact OE1-NE 3.29Å; E117-R120 IonicContact OE1-NH1 2.66Å; E117-R120 PolarHBondContact OE1-NH1 3.23Å; E117-R120 IonicContact OE2-CZ 2.75Å; E117-R120 VanDerWaalsContact OE2-CZ 3.29Å; E117-R120 IonicContact OE2-NE 3.46Å; E117-R120 IonicContact OE2-NH1 3.36Å; E117-R120 PolarHBondContact OE2-NH1 2.81Å; E117-R120 IonicContact OE2-NH2 3.87Å; W118-R120 PolarHBondContact O-N 3.35Å; W118-R120 VanDerWaalsContact O-N 3.11Å; R120-P152 HydrophobicContact CG-CB 4.22Å; R120-P152 HydrophobicContact CG-CG 3.77Å; R120-V154 WeakPolarHBondContact O-CA 3.23Å; R120-K155 PolarHBondContact O-N 2.94Å
121V86.2Confident89.6Confident94 Ų9467.4 Ų67.457%0.5732%0.323SS*.THydrogen-bonded Turntrans-102.9-47.2-176.7-169.20000110.7W118 S119 V154W118-V121 WeakPolarHBondContact O-CA 3.34Å; W118-V121 WeakPolarHBondContact O-CB 3.45Å; W118-V121 PolarHBondContact O-N 3Å; S119-V121 VanDerWaalsContact C-N 3.3Å; V121-V154 WeakPolarHBondContact O-CG1 3.27Å
122R87.2Confident89.5Confident129 Ų12967.5 Ų67.549%0.48732%0.323SS..  trans-147.2140.7176.5-60.4-167.1-173.6-169.6-1.3113W118 S119 E124W118-R122 PolarHBondContact O-N 2.75Å; S119-R122 WeakPolarHBondContact CA-O 3.4Å; R122-E124 HydrophobicContact CB-CB 4.23Å; R122-E124 HydrophobicContact CB-CG 4.29Å; R122-E124 WeakPolarHBondContact CD-OE2 3.31Å; R122-E124 IonicContact CZ-OE2 3.48Å; R122-E124 IonicContact NE-OE2 2.64Å; R122-E124 IonicContact NH1-OE1 2.7Å; R122-E124 IonicContact NH1-OE2 3.9Å; R122-E124 PolarHBondContact NH1-OE2 3.25Å; R122-E124 PolarHBondContact O-N 3.5Å; R122-E124 VanDerWaalsContact O-N 3.12Å
123H89.6Confident89.3Confident53 Ų5372.3 Ų72.325%0.24535%0.347CS..SBendtrans-84.838.8172-68-179.5000112S119 V131 Y132 A151 P152 V154S119-H123 PolarHBondContact O-CD2 3.03Å; S119-H123 PolarHBondContact O-NE2 3.38Å; S119-H123 VanDerWaalsContact O-NE2 3.15Å; H123-V131 CarbonylContact O-C 3.58Å; H123-V131 VanDerWaalsContact O-CA 3.29Å; H123-V131 WeakPolarHBondContact O-CA 3.42Å; H123-Y132 PolarHBondContact O-N 3.08Å; H123-A151 WeakPolarHBondContact NE2-CB 3.39Å; H123-P152 PolarHBondContact NE2-O 2.87Å; H123-V154 WeakPolarHBondContact NE2-CG2 3.49Å
124E91.5Very high89.2Confident60 Ų6068.3 Ų68.328%0.2833%0.327SS..BIsolated β-bridgetrans-116.5140.2-179.6-66.2168.3-175.500108.9W118 R122 Y132W118-E124 PolarHBondContact NE1-O 3.27Å; R122-E124 HydrophobicContact CB-CB 4.23Å; R122-E124 HydrophobicContact CB-CG 4.29Å; R122-E124 WeakPolarHBondContact CD-OE2 3.31Å; R122-E124 IonicContact CZ-OE2 3.48Å; R122-E124 IonicContact NE-OE2 2.64Å; R122-E124 IonicContact NH1-OE1 2.7Å; R122-E124 IonicContact NH1-OE2 3.9Å; R122-E124 PolarHBondContact NH1-OE2 3.25Å; R122-E124 PolarHBondContact O-N 3.5Å; R122-E124 VanDerWaalsContact O-N 3.12Å; E124-Y132 VanDerWaalsContact C-CE1 3.45Å; E124-Y132 WeakPolarHBondContact O-CE1 3.39Å
125C89.9Confident89.2Confident1 Ų167.3 Ų67.31%0.00732%0.32CS..  trans-67.8133.5174.9174.30000111.6P103 C106 L127 D128 R129 G130 Y132P103-C125 HydrophobicContact CG-CB 4.31Å; C106-C125 PolarHBondContact SG-SG 3.41Å; C125-L127 PolarHBondContact O-N 3.35Å; C125-L127 VanDerWaalsContact O-N 3.08Å; C125-D128 WeakPolarHBondContact CB-OD1 3.47Å; C125-D128 PolarHBondContact SG-OD1 3.3Å; C125-R129 WeakPolarHBondContact O-CA 3.39Å; C125-R129 PolarHBondContact O-N 2.8Å; C125-G130 PolarHBondContact N-O 3.43Å; C125-Y132 HydrophobicContact CB-CE1 4.45Å
126P89.2Confident89.2Confident40 Ų4068.2 Ų68.226%0.2633%0.325SS..THydrogen-bonded Turntrans-59.7-18.2179.8-2531.5000116.6I91 F110 L115 W118I91-P126 HydrophobicContact CD1-CG 4.01Å; I91-P126 HydrophobicContact CG1-CB 4.44Å; I91-P126 HydrophobicContact CG1-CG 4.15Å; F110-P126 HydrophobicContact CE1-CB 4.03Å; F110-P126 HydrophobicContact CE1-CG 3.87Å; F110-P126 HydrophobicContact CZ-CB 4.23Å; F110-P126 HydrophobicContact CZ-CG 4Å; L115-P126 HydrophobicContact CD1-CG 4.35Å; W118-P126 HydrophobicContact CD2-CG 3.98Å; W118-P126 HydrophobicContact CG-CG 3.9Å
127L86.5Confident89.2Confident94 Ų9465.2 Ų65.249%0.49231%0.312SS..THydrogen-bonded Turntrans-101.8-53.2-175.5-72.4-178.4000113.4P90 H108 F110 C125P90-L127 HydrophobicContact CB-CD1 4.37Å; P90-L127 HydrophobicContact CB-CD2 4.05Å; P90-L127 HydrophobicContact CB-CG 4.35Å; P90-L127 HydrophobicContact CG-CD1 3.77Å; P90-L127 HydrophobicContact CG-CD2 4.33Å; P90-L127 HydrophobicContact CG-CG 4.26Å; H108-L127 HydrophobicContact CB-CD1 4.14Å; H108-L127 WeakPolarHBondContact CD2-CD1 3.45Å; F110-L127 HydrophobicContact CE1-CG 4.35Å; F110-L127 HydrophobicContact CZ-CD1 4.25Å; F110-L127 HydrophobicContact CZ-CG 4.13Å; C125-L127 PolarHBondContact O-N 3.35Å; C125-L127 VanDerWaalsContact O-N 3.08Å
128D90Very high89.1Confident74 Ų7460.9 Ų60.940%0.39629%0.293SS..THydrogen-bonded Turntrans-111.6-1.2-175.459.711.9000114C106 H108 C125 G130C106-D128 WeakPolarHBondContact CB-OD2 3.4Å; C106-D128 PolarHBondContact SG-OD1 3.49Å; C106-D128 VanDerWaalsContact SG-OD1 3.41Å; C106-D128 PolarHBondContact SG-OD2 3.16Å; H108-D128 IonicContact CE1-OD2 3.36Å; H108-D128 PolarHBondContact CE1-OD2 3.4Å; H108-D128 IonicContact ND1-OD1 3.23Å; H108-D128 IonicContact ND1-OD2 2.65Å; H108-D128 PolarHBondContact ND1-OD2 3.32Å; C125-D128 WeakPolarHBondContact CB-OD1 3.47Å; C125-D128 PolarHBondContact SG-OD1 3.3Å; D128-G130 PolarHBondContact O-N 3.18Å; D128-G130 PolarHBondContact OD1-N 2.98Å
129R87.8Confident88.6Confident191 Ų19160.4 Ų60.472%0.72130%0.298SS*.  trans60.517.4-176.5-51.2-178.9-176.3178.20.4114.8C125 V131C125-R129 WeakPolarHBondContact O-CA 3.39Å; C125-R129 PolarHBondContact O-N 2.8Å; R129-V131 PolarHBondContact O-N 2.99Å
130G85.7Confident88.1Confident22 Ų2264.2 Ų64.223%0.22731%0.312CS..  trans-58.4125.7172.200000111.2S105 C125 D128S105-G130 PolarHBondContact OG-O 3.45Å; S105-G130 VanDerWaalsContact OG-O 3.1Å; C125-G130 PolarHBondContact N-O 3.43Å; D128-G130 PolarHBondContact O-N 3.18Å; D128-G130 PolarHBondContact OD1-N 2.98Å
131V90.1Very high87.8Confident110 Ų11062.7 Ų62.767%0.66731%0.312SS*.BIsolated β-bridgetrans-75.1131.1-177.7179.90000110.4S105 H123 R129S105-V131 VanDerWaalsContact CB-O 3.31Å; S105-V131 WeakPolarHBondContact CB-O 3.3Å; H123-V131 CarbonylContact O-C 3.58Å; H123-V131 VanDerWaalsContact O-CA 3.29Å; H123-V131 WeakPolarHBondContact O-CA 3.42Å; R129-V131 PolarHBondContact O-N 2.99Å
132Y88.6Confident87.3Confident5 Ų560.9 Ų60.92%0.0231%0.313CS..  trans-139.8137.6-178.766-87.4000113P103 L115 H123 E124 C125 I135 A151P103-Y132 HydrophobicContact CB-CD1 3.35Å; P103-Y132 HydrophobicContact CB-CD2 3.88Å; P103-Y132 HydrophobicContact CB-CE1 3.82Å; P103-Y132 HydrophobicContact CB-CE2 4.32Å; P103-Y132 HydrophobicContact CB-CG 3.4Å; P103-Y132 HydrophobicContact CG-CD1 4.42Å; L115-Y132 HydrophobicContact CD1-CE1 4.41Å; L115-Y132 VanDerWaalsContact CD1-OH 3.32Å; L115-Y132 WeakPolarHBondContact CD1-OH 3.48Å; H123-Y132 PolarHBondContact O-N 3.08Å; E124-Y132 VanDerWaalsContact C-CE1 3.45Å; E124-Y132 WeakPolarHBondContact O-CE1 3.39Å; C125-Y132 HydrophobicContact CB-CE1 4.45Å; Y132-I135 HydrophobicContact CD2-CG1 4.12Å; Y132-I135 HydrophobicContact CE2-CD1 4.19Å; Y132-I135 HydrophobicContact CE2-CG1 3.69Å; Y132-A151 HydrophobicContact CE2-CB 4.49Å
133E88.3Confident86.7Confident149 Ų14955.1 Ų55.170%0.69629%0.293SS*.SBendtrans-97.3-27170.9-61.5-171.7173.800112.4A151E133-A151 WeakPolarHBondContact O-CB 3.23Å; E133-A151 PolarHBondContact O-N 3.24Å
134L89.9Confident86.3Confident34 Ų3457.3 Ų57.318%0.17831%0.312CS..EExtended strand (participates in β ladder)trans-108.8139.9178.5-62.6-175.5000112.2E104 N150E104-L134 HydrophobicContact CB-CB 4.12Å; E104-L134 PolarHBondContact N-O 2.96Å; E104-L134 WeakPolarHBondContact OE2-CB 3.24Å; E104-L134 WeakPolarHBondContact OE2-CD1 3.21Å; L134-N150 HydrophobicContact CD2-CB 4.32Å; L134-N150 WeakPolarHBondContact CD2-ND2 3.43Å
135I91.7Very high86Confident1 Ų158.5 Ų58.51%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-103.8122.6166.1-61.9172.8000107.5A101 L115 Y132 L137 V149A101-I135 HydrophobicContact CB-CG2 3.72Å; L115-I135 HydrophobicContact CD2-CD1 4.32Å; L115-I135 HydrophobicContact CD2-CG1 4.11Å; L115-I135 HydrophobicContact CD2-CG2 4.02Å; L115-I135 HydrophobicContact CG-CD1 4.22Å; L115-I135 HydrophobicContact CG-CG1 4.48Å; Y132-I135 HydrophobicContact CD2-CG1 4.12Å; Y132-I135 HydrophobicContact CE2-CD1 4.19Å; Y132-I135 HydrophobicContact CE2-CG1 3.69Å; I135-L137 HydrophobicContact CG2-CD2 3.86Å; I135-V149 WeakPolarHBondContact CB-O 3.27Å; I135-V149 PolarHBondContact N-O 3.47Å; I135-V149 PolarHBondContact O-N 3.14Å
136L91.4Very high85.8Confident18 Ų1863.4 Ų63.49%0.09435%0.345CS..EExtended strand (participates in β ladder)trans-92.5135.4176.7-49.5176.2000108.5A101 T102 E104 I145 R148A101-L136 WeakPolarHBondContact CA-O 3.48Å; T102-L136 PolarHBondContact N-O 2.84Å; T102-L136 PolarHBondContact O-N 2.99Å; E104-L136 HydrophobicContact CB-CD1 4.39Å; E104-L136 HydrophobicContact CB-CG 4.4Å; L136-I145 HydrophobicContact CB-CD1 4.43Å; L136-I145 HydrophobicContact CB-CG1 4.44Å; L136-I145 HydrophobicContact CB-CG2 4.17Å; L136-I145 HydrophobicContact CD1-CD1 3.97Å; L136-R148 HydrophobicContact CD2-CB 4.49Å; L136-R148 HydrophobicContact CD2-CG 3.78Å
137L91.5Very high85.8Confident13 Ų1367.8 Ų67.87%0.06836%0.36CS..EExtended strand (participates in β ladder)trans-117.8129.8-177.2-57.9-176.5000111.9P99 V100 A101 Y112 I135 I145 I146 K147 V149P99-L137 HydrophobicContact CB-CB 4.35Å; P99-L137 HydrophobicContact CG-CD1 4.43Å; V100-L137 VanDerWaalsContact O-CA 3.3Å; V100-L137 WeakPolarHBondContact O-CA 3.41Å; A101-L137 HydrophobicContact CB-CD2 3.72Å; Y112-L137 HydrophobicContact CD2-CD1 4.3Å; Y112-L137 HydrophobicContact CD2-CD2 3.51Å; Y112-L137 HydrophobicContact CE2-CD1 4.26Å; Y112-L137 HydrophobicContact CE2-CD2 4.12Å; Y112-L137 HydrophobicContact CG-CD2 4.05Å; I135-L137 HydrophobicContact CG2-CD2 3.86Å; L137-I145 CarbonylContact O-C 3.45Å; L137-I145 WeakPolarHBondContact O-CA 3.5Å; L137-I146 PolarHBondContact O-N 2.87Å; L137-K147 HydrophobicContact CB-CB 4.32Å; L137-K147 WeakPolarHBondContact CB-O 3.27Å; L137-K147 HydrophobicContact CD1-CB 4.35Å; L137-K147 PolarHBondContact N-O 3.19Å; L137-K147 PolarHBondContact O-N 2.77Å; L137-V149 HydrophobicContact CD1-CG2 3.65Å; L137-V149 HydrophobicContact CG-CG2 4.24Å
138S86.2Confident86Confident8 Ų869.9 Ų69.96%0.05636%0.361CS..EExtended strand (participates in β ladder)trans-133.1157.4178.9-600000111.5V100 W140 G143 P144V100-S138 WeakPolarHBondContact CB-O 3.07Å; V100-S138 PolarHBondContact N-O 2.92Å; V100-S138 PolarHBondContact O-N 3.49Å; S138-W140 VanDerWaalsContact C-N 3.29Å; S138-W140 WeakPolarHBondContact CB-O 3.35Å; S138-W140 PolarHBondContact O-N 2.86Å; S138-G143 VanDerWaalsContact CB-O 3.29Å; S138-G143 WeakPolarHBondContact CB-O 3.31Å; S138-G143 PolarHBondContact OG-O 2.99Å; S138-P144 WeakPolarHBondContact CB-O 3.47Å; S138-P144 PolarHBondContact OG-O 3.43Å
139D82Confident86Confident84 Ų8467.9 Ų67.945%0.44935%0.351SS..SBendtrans-75.1-17.2178.8-96.7-33.3000113.8K98 I146K98-D139 WeakPolarHBondContact CD-O 3.41Å; K98-D139 WeakPolarHBondContact CE-O 3.44Å; K98-D139 WeakPolarHBondContact CG-O 3.48Å; K98-D139 PolarHBondContact NZ-O 3.04Å; D139-I146 HydrophobicContact CB-CD1 3.72Å; D139-I146 VanDerWaalsContact N-CD1 3.35Å; D139-I146 WeakPolarHBondContact OD2-CD1 3.46Å
140W78.6Confident85.9Confident81 Ų8164.4 Ų64.431%0.30735%0.347SS..SBendtrans-154.5168.8177.856.8-91.1000110.4I69 T81 S138 G142 G143I69-W140 HydrophobicContact CD1-CH2 4.01Å; T81-W140 HydrophobicContact CG2-CZ3 4.3Å; S138-W140 VanDerWaalsContact C-N 3.29Å; S138-W140 WeakPolarHBondContact CB-O 3.35Å; S138-W140 PolarHBondContact O-N 2.86Å; W140-G142 PolarHBondContact O-N 3.49Å; W140-G142 VanDerWaalsContact O-N 3.11Å; W140-G143 PolarHBondContact O-N 2.99Å
141V81.5Confident85.7Confident55 Ų5564 Ų6433%0.33334%0.341SS..THydrogen-bonded Turntrans-71.7104.1-172.3179.20000110.2I96 V100 A109I96-V141 HydrophobicContact CD1-CG2 3.84Å; V100-V141 HydrophobicContact CG1-CG2 4.16Å; V100-V141 HydrophobicContact CG2-CG2 4.18Å; A109-V141 HydrophobicContact CB-CG1 3.8Å; A109-V141 HydrophobicContact CB-CG2 4.21Å
142G75.3Confident85.2Confident57 Ų5760 Ų6059%0.58832%0.318SS*.THydrogen-bonded Turntrans93.80.3-172.500000114.6W140W140-G142 PolarHBondContact O-N 3.49Å; W140-G142 VanDerWaalsContact O-N 3.11Å
143G76.2Confident84.5Confident7 Ų765.2 Ų65.27%0.07235%0.352CS..  trans-70.5166.6176.700000114S138 W140S138-G143 VanDerWaalsContact CB-O 3.29Å; S138-G143 WeakPolarHBondContact CB-O 3.31Å; S138-G143 PolarHBondContact OG-O 2.99Å; W140-G143 PolarHBondContact O-N 2.99Å
144P80.5Confident83.9Confident99 Ų9960.9 Ų60.964%0.64334%0.336SS*.  trans-57.9142.3-178.825-34.8000112S138 I146S138-P144 WeakPolarHBondContact CB-O 3.47Å; S138-P144 PolarHBondContact OG-O 3.43Å; P144-I146 PolarHBondContact O-N 3.02Å
145I84.8Confident82.8Confident86 Ų8666.7 Ų66.744%0.44136%0.36SS..EExtended strand (participates in β ladder)trans-74.6109.1-177.5-56.6163.7000109.2L136 L137 R148L136-I145 HydrophobicContact CB-CD1 4.43Å; L136-I145 HydrophobicContact CB-CG1 4.44Å; L136-I145 HydrophobicContact CB-CG2 4.17Å; L136-I145 HydrophobicContact CD1-CD1 3.97Å; L137-I145 CarbonylContact O-C 3.45Å; L137-I145 WeakPolarHBondContact O-CA 3.5Å; I145-R148 HydrophobicContact CG2-CG 4.36Å
146I86.9Confident81.1Confident104 Ų10474.9 Ų74.953%0.53340%0.398SS..EExtended strand (participates in β ladder)trans-79-37.1180-59.6165.8000110.6L137 D139 P144L137-I146 PolarHBondContact O-N 2.87Å; D139-I146 HydrophobicContact CB-CD1 3.72Å; D139-I146 VanDerWaalsContact N-CD1 3.35Å; D139-I146 WeakPolarHBondContact OD2-CD1 3.46Å; P144-I146 PolarHBondContact O-N 3.02Å
147K88.1Confident79.1Confident132 Ų13280 Ų8057%0.57442%0.422SS*.EExtended strand (participates in β ladder)trans-153141.7-175.1-172.8166.4-175.4166.50112L137 V149L137-K147 HydrophobicContact CB-CB 4.32Å; L137-K147 WeakPolarHBondContact CB-O 3.27Å; L137-K147 HydrophobicContact CD1-CB 4.35Å; L137-K147 PolarHBondContact N-O 3.19Å; L137-K147 PolarHBondContact O-N 2.77Å; K147-V149 HydrophobicContact CD-CG2 4.18Å; K147-V149 HydrophobicContact CG-CG2 3.96Å
148R91.1Very high76.9Confident138 Ų13885.1 Ų85.152%0.52146%0.456SS..EExtended strand (participates in β ladder)trans-99.2140.4165.1-57.5-174.5172.3-125.6-1.6109.1E104 L136 I145E104-R148 IonicContact OE1-CZ 3.05Å; E104-R148 IonicContact OE1-NH1 2.68Å; E104-R148 PolarHBondContact OE1-NH1 3.37Å; L136-R148 HydrophobicContact CD2-CB 4.49Å; L136-R148 HydrophobicContact CD2-CG 3.78Å; I145-R148 HydrophobicContact CG2-CG 4.36Å
149V88.9Confident74.7Confident31 Ų3189.9 Ų89.919%0.18849%0.489CS..EExtended strand (participates in β ladder)trans-138.9122-179.5-177.70000108.7I135 L137 K147I135-V149 WeakPolarHBondContact CB-O 3.27Å; I135-V149 PolarHBondContact N-O 3.47Å; I135-V149 PolarHBondContact O-N 3.14Å; L137-V149 HydrophobicContact CD1-CG2 3.65Å; L137-V149 HydrophobicContact CG-CG2 4.24Å; K147-V149 HydrophobicContact CD-CG2 4.18Å; K147-V149 HydrophobicContact CG-CG2 3.96Å
150N87.4Confident72.8Confident118 Ų11892.3 Ų92.363%0.63150%0.498SS*.EExtended strand (participates in β ladder)trans-59.2141.8173.4-56.378.3000110.9L134L134-N150 HydrophobicContact CD2-CB 4.32Å; L134-N150 WeakPolarHBondContact CD2-ND2 3.43Å
151A80.5Confident71Confident13 Ų1392.7 Ų92.711%0.10751%0.509CS..PPolyproline II helixtrans-55.2137.8169.200000109.6H123 Y132 E133H123-A151 WeakPolarHBondContact NE2-CB 3.39Å; Y132-A151 HydrophobicContact CE2-CB 4.49Å; E133-A151 WeakPolarHBondContact O-CB 3.23Å; E133-A151 PolarHBondContact O-N 3.24Å
152P79.5Confident69.1Low27 Ų2794.6 Ų94.618%0.17552%0.523CS..PPolyproline II helixtrans-58144.9172.326.5-33.8000109.6S119 R120 H123 V154S119-P152 VanDerWaalsContact OG-CD 3.31Å; S119-P152 WeakPolarHBondContact OG-CD 3.45Å; R120-P152 HydrophobicContact CG-CB 4.22Å; R120-P152 HydrophobicContact CG-CG 3.77Å; H123-P152 PolarHBondContact NE2-O 2.87Å; P152-V154 PolarHBondContact O-N 2.76Å
153P74.5Confident67.5Low114 Ų11497.2 Ų97.274%0.7453%0.529SS*.PPolyproline II helixtrans-57.3132.2177.224.6-33.9000109.4K155P153-K155 PolarHBondContact O-N 3.47Å; P153-K155 VanDerWaalsContact O-N 3.13Å
154V76.5Confident65.7Low58 Ų58102.6 Ų102.635%0.35256%0.556SS.*PPolyproline II helixtrans-55.9121.6-179.5178.70000108.4R120 V121 H123 P152 Q156R120-V154 WeakPolarHBondContact O-CA 3.23Å; V121-V154 WeakPolarHBondContact O-CG1 3.27Å; H123-V154 WeakPolarHBondContact NE2-CG2 3.49Å; P152-V154 PolarHBondContact O-N 2.76Å; V154-Q156 PolarHBondContact O-N 2.72Å
155K65.5Low63.9Low157 Ų157106.3 Ų106.368%0.68356%0.564SS**  trans-75.287.3166.6-75.5-171.7175.4-174.80106.9R120 P153 Q157R120-K155 PolarHBondContact O-N 2.94Å; P153-K155 PolarHBondContact O-N 3.47Å; P153-K155 VanDerWaalsContact O-N 3.13Å; K155-Q157 PolarHBondContact O-N 3.29Å
156Q55.9Low62.3Low172 Ų172109.5 Ų109.580%0.80458%0.582SS**  trans-53.9105.7160-66178.4-6.200106.8V154V154-Q156 PolarHBondContact O-N 2.72Å
157Q50.2Low60.8Low126 Ų126109 Ų10959%0.58958%0.58SS**  trans-56.9122.3158.1-86.6168-9600105K155 S159 E160K155-Q157 PolarHBondContact O-N 3.29Å; Q157-S159 PolarHBondContact O-N 3.14Å; Q157-E160 VanDerWaalsContact NE2-CD 3.28Å; Q157-E160 PolarHBondContact NE2-OE1 3.27Å; Q157-E160 PolarHBondContact NE2-OE2 3.19Å
158P45.1Very low59.8Low121 Ų121104.5 Ų104.579%0.78656%0.563SS**  trans-61.4111.1-178.125.4-32.6000106.9E160P158-E160 PolarHBondContact O-N 2.91Å
159S40.3Very low59.4Low108 Ų108100.9 Ų100.976%0.75555%0.554SS**  trans-19.797.3-160.756.60000113.9Q157 T161Q157-S159 PolarHBondContact O-N 3.14Å; S159-T161 PolarHBondContact O-N 3.05Å
160E40.9Very low59.3Low134 Ų13499.4 Ų99.463%0.62655%0.545SS*.  trans-58.5110.7159.7-79.2167-159.200105.4Q157 P158Q157-E160 VanDerWaalsContact NE2-CD 3.28Å; Q157-E160 PolarHBondContact NE2-OE1 3.27Å; Q157-E160 PolarHBondContact NE2-OE2 3.19Å; P158-E160 PolarHBondContact O-N 2.91Å
161T41.3Very low59.3Low89 Ų8997.1 Ų97.155%0.54653%0.531SS..  trans-45.7128.8171.642.20000107.5S159 P163S159-T161 PolarHBondContact O-N 3.05Å; T161-P163 WeakPolarHBondContact O-CA 3.19Å
162P41.3Very low59.6Low96 Ų96100.4 Ų100.462%0.62355%0.55SS*.G310 helixtrans-45.5115.7-165.119.9-33.6000108.8L164P162-L164 VanDerWaalsContact C-N 3.34Å; P162-L164 WeakPolarHBondContact O-CA 3.15Å; P162-L164 PolarHBondContact O-N 3.27Å
163P41.5Very low60.1Low112 Ų112101.3 Ų101.373%0.72756%0.556SS**G310 helixtrans-54.194.4-138.117.5-33.2000111.3T161 E165T161-P163 WeakPolarHBondContact O-CA 3.19Å; P163-E165 PolarHBondContact O-N 3.36Å
164L39.8Very low60.5Low119 Ų119102.1 Ų102.162%0.62355%0.55SS*.G310 helixtrans-19.791.8-149.7-70.7174.8000111.7P162 L166 D167P162-L164 VanDerWaalsContact C-N 3.34Å; P162-L164 WeakPolarHBondContact O-CA 3.15Å; P162-L164 PolarHBondContact O-N 3.27Å; L164-L166 VanDerWaalsContact C-N 3.34Å; L164-L166 WeakPolarHBondContact O-CA 3.44Å; L164-L166 PolarHBondContact O-N 2.95Å; L164-D167 PolarHBondContact O-N 3.5Å
165E42.5Very low60.8Low177 Ų177106.1 Ų106.183%0.82756%0.559SS**G310 helixtrans-31.490.9-163.7-69.9173.8124.800111.7P163 D167P163-E165 PolarHBondContact O-N 3.36Å; E165-D167 VanDerWaalsContact C-N 3.31Å; E165-D167 WeakPolarHBondContact O-CA 3.19Å; E165-D167 PolarHBondContact O-N 3.29Å
166L50.5Low61.5Low153 Ų153101.6 Ų101.680%0.80155%0.545SS*.G310 helixtrans-28.595.6-142.9-81178.1000111.7L164 V168L164-L166 VanDerWaalsContact C-N 3.34Å; L164-L166 WeakPolarHBondContact O-CA 3.44Å; L164-L166 PolarHBondContact O-N 2.95Å; L166-V168 HydrophobicContact CB-CG2 4.02Å; L166-V168 WeakPolarHBondContact O-CB 3.44Å; L166-V168 VanDerWaalsContact O-CG2 3.25Å; L166-V168 WeakPolarHBondContact O-CG2 3.29Å; L166-V168 PolarHBondContact O-N 2.81Å
167D56.5Low62.5Low93 Ų9396.9 Ų96.950%0.49753%0.526SS..  trans-72.663.8-164-166.10.8000110L164 E165 N169 P176L164-D167 PolarHBondContact O-N 3.5Å; E165-D167 VanDerWaalsContact C-N 3.31Å; E165-D167 WeakPolarHBondContact O-CA 3.19Å; E165-D167 PolarHBondContact O-N 3.29Å; D167-N169 PolarHBondContact O-N 2.9Å; D167-N169 PolarHBondContact O-ND2 2.67Å; D167-N169 PolarHBondContact O-OD1 3.41Å; D167-N169 PolarHBondContact OD1-ND2 2.91Å; D167-P176 WeakPolarHBondContact OD1-CB 3.46Å
168V65.5Low63.9Low38 Ų3895.2 Ų95.223%0.2352%0.521CS..  trans-86.467.4-166.9170.80000106.7L166 C170 L182 L184 G191L166-V168 HydrophobicContact CB-CG2 4.02Å; L166-V168 WeakPolarHBondContact O-CB 3.44Å; L166-V168 VanDerWaalsContact O-CG2 3.25Å; L166-V168 WeakPolarHBondContact O-CG2 3.29Å; L166-V168 PolarHBondContact O-N 2.81Å; V168-C170 PolarHBondContact O-N 3.24Å; V168-L182 WeakPolarHBondContact O-CD2 3.43Å; V168-L184 HydrophobicContact CB-CD2 4.28Å; V168-L184 HydrophobicContact CG1-CD2 3.48Å; V168-L184 VanDerWaalsContact CG1-CD2 3.48Å; V168-G191 VanDerWaalsContact CG1-CA 3.45Å; V168-G191 VanDerWaalsContact CG1-N 3.25Å
169N83Confident65.6Low62 Ų6297.4 Ų97.433%0.33252%0.52SS..  trans-53.1135.5175.3-43.6133.8000108.8D167 E171 R175 P176D167-N169 PolarHBondContact O-N 2.9Å; D167-N169 PolarHBondContact O-ND2 2.67Å; D167-N169 PolarHBondContact O-OD1 3.41Å; D167-N169 PolarHBondContact OD1-ND2 2.91Å; N169-E171 PolarHBondContact O-N 3.27Å; N169-R175 WeakPolarHBondContact CA-O 3.44Å; N169-P176 WeakPolarHBondContact ND2-CD 3.48Å
170C88.2Confident67.5Low0 Ų096 Ų960%052%0.515CS..  trans-57.8132.9179.5163.90000110.8V168 V172 C173 H174 R175 L182 G191 H193V168-C170 PolarHBondContact O-N 3.24Å; C170-V172 PolarHBondContact O-N 3.01Å; C170-V172 PolarHBondContact SG-N 3.44Å; C170-V172 VanDerWaalsContact SG-N 3.41Å; C170-C173 PolarHBondContact O-N 3.05Å; C170-H174 WeakPolarHBondContact O-CA 3.49Å; C170-H174 PolarHBondContact O-N 2.98Å; C170-H174 PolarHBondContact O-ND1 3.03Å; C170-R175 PolarHBondContact N-O 3.23Å; C170-L182 HydrophobicContact CB-CD1 4.14Å; C170-G191 VanDerWaalsContact CA-O 3.31Å; C170-G191 WeakPolarHBondContact CA-O 3.26Å; C170-H193 VanDerWaalsContact CB-CE1 3.44Å; C170-H193 WeakPolarHBondContact CB-CE1 3.35Å; C170-H193 WeakPolarHBondContact CB-ND1 3.31Å; C170-H193 PolarHBondContact SG-N 3.01Å
171E86.7Confident69.6Low70 Ų7093.6 Ų93.633%0.32750%0.504SS..THydrogen-bonded Turntrans-62.6-3-178-70.9-83.3-172.800114.8N169 H174 R190 G191 Y192N169-E171 PolarHBondContact O-N 3.27Å; E171-H174 PolarHBondContact O-CE1 3.11Å; E171-H174 VanDerWaalsContact O-CE1 3.29Å; E171-R190 HydrophobicContact CG-CB 4.02Å; E171-R190 HydrophobicContact CG-CG 4.27Å; E171-R190 WeakPolarHBondContact OE1-CD 3.19Å; E171-R190 VanDerWaalsContact OE1-CG 3.27Å; E171-R190 WeakPolarHBondContact OE1-CG 3.47Å; E171-R190 IonicContact OE1-CZ 3.01Å; E171-R190 IonicContact OE1-NE 3.91Å; E171-R190 IonicContact OE1-NH1 2.66Å; E171-R190 PolarHBondContact OE1-NH1 2.96Å; E171-R190 IonicContact OE2-NH1 3.83Å; E171-R190 PolarHBondContact OE2-NH1 2.71Å; E171-G191 PolarHBondContact N-O 3.13Å; E171-Y192 HydrophobicContact CB-CD1 4.25Å; E171-Y192 HydrophobicContact CB-CE1 3.64Å; E171-Y192 HydrophobicContact CB-CE2 4.46Å; E171-Y192 HydrophobicContact CG-CE1 4.29Å; E171-Y192 HydrophobicContact CG-CE2 4.26Å
172V86.2Confident71.8Confident83 Ų8391.1 Ų91.150%0.50349%0.487SS..THydrogen-bonded Turntrans-113.9-42.7-177.8-177.70000112.3C170 Y192 C196C170-V172 PolarHBondContact O-N 3.01Å; C170-V172 PolarHBondContact SG-N 3.44Å; C170-V172 VanDerWaalsContact SG-N 3.41Å; V172-Y192 HydrophobicContact CG2-CD1 4.07Å; V172-Y192 HydrophobicContact CG2-CE1 4.28Å; V172-C196 HydrophobicContact CB-CB 4Å; V172-C196 HydrophobicContact CG1-CB 4.25Å; V172-C196 HydrophobicContact CG2-CB 4.46Å
173C89.6Confident74Confident45 Ų4587.1 Ų87.130%0.30446%0.46SS..THydrogen-bonded Turntrans-102.7-14.1179.975.90000113.8C170 R175 H193C170-C173 PolarHBondContact O-N 3.05Å; C173-R175 VanDerWaalsContact C-N 3.32Å; C173-R175 PolarHBondContact O-N 3.03Å; C173-H193 PolarHBondContact SG-CE1 3.47Å; C173-H193 PolarHBondContact SG-ND1 3.05Å
174H84Confident76.3Confident131 Ų13186.3 Ų86.361%0.60645%0.449SS*.  trans53.641.6-175.8-53.7-41.5000114.3C170 E171C170-H174 WeakPolarHBondContact O-CA 3.49Å; C170-H174 PolarHBondContact O-N 2.98Å; C170-H174 PolarHBondContact O-ND1 3.03Å; E171-H174 PolarHBondContact O-CE1 3.11Å; E171-H174 VanDerWaalsContact O-CE1 3.29Å
175R83.1Confident78.6Confident143 Ų14380.7 Ų80.754%0.5442%0.42SS..  trans-124.8149.8173.8-51.3-167.4-170.9175.92.2112.6N169 C170 C173 D177N169-R175 WeakPolarHBondContact CA-O 3.44Å; C170-R175 PolarHBondContact N-O 3.23Å; C173-R175 VanDerWaalsContact C-N 3.32Å; C173-R175 PolarHBondContact O-N 3.03Å; R175-D177 HydrophobicContact CB-CB 4.26Å; R175-D177 WeakPolarHBondContact CD-OD2 3.46Å; R175-D177 IonicContact CZ-OD2 3.13Å; R175-D177 IonicContact NE-OD2 2.8Å; R175-D177 IonicContact NH1-OD2 3.44Å; R175-D177 PolarHBondContact NH1-OD2 2.83Å
176P79.5Confident80.8Confident62 Ų6277 Ų7740%0.40341%0.406SS..  trans-88.8-0.3168.736.6-33000113.6D167 N169D167-P176 WeakPolarHBondContact OD1-CB 3.46Å; N169-P176 WeakPolarHBondContact ND2-CD 3.48Å
177D76.1Confident82.4Confident73 Ų7374.4 Ų74.439%0.3939%0.389SS..  trans-45.5154.1173.3-52.3-1.1000111.3R175 E179 H193R175-D177 HydrophobicContact CB-CB 4.26Å; R175-D177 WeakPolarHBondContact CD-OD2 3.46Å; R175-D177 IonicContact CZ-OD2 3.13Å; R175-D177 IonicContact NE-OD2 2.8Å; R175-D177 IonicContact NH1-OD2 3.44Å; R175-D177 PolarHBondContact NH1-OD2 2.83Å; D177-E179 PolarHBondContact O-N 2.81Å; D177-H193 PolarHBondContact O-NE2 3.41Å
178D79.4Confident83.9Confident91 Ų9171.9 Ų71.949%0.48738%0.379SS..  trans51.451.7172.2-62.7-25.3000116.6A180 H181 L182 Y195D178-A180 PolarHBondContact O-N 3.39Å; D178-H181 HydrophobicContact CB-CB 4.47Å; D178-H181 PolarHBondContact O-N 2.84Å; D178-L182 PolarHBondContact O-N 2.98Å; D178-Y195 HydrophobicContact CB-CE1 4.44Å; D178-Y195 PolarHBondContact OD2-OH 3.38Å
179E81.7Confident84.9Confident167 Ų16776.1 Ų76.178%0.7840%0.4SS*.G310 helixtrans-45-38.2172-68.4175.1-146.300113.5D177 H181 L182D177-E179 PolarHBondContact O-N 2.81Å; E179-H181 PolarHBondContact O-N 2.88Å; E179-H181 VanDerWaalsContact O-N 3.12Å; E179-L182 WeakPolarHBondContact O-CB 3.25Å; E179-L182 PolarHBondContact O-N 3.49Å; E179-L182 VanDerWaalsContact O-N 3.09Å
180A80.8Confident85.1Confident78 Ų7878.4 Ų78.465%0.64540%0.404SS*.G310 helixtrans-64.8-11.817900000114.7D178D178-A180 PolarHBondContact O-N 3.39Å
181H84Confident85.1Confident84 Ų8478.4 Ų78.439%0.38940%0.404SS..G310 helixtrans-119.77.8174.9-63.2109000112.7D178 E179 H193 T194 Y195D178-H181 HydrophobicContact CB-CB 4.47Å; D178-H181 PolarHBondContact O-N 2.84Å; E179-H181 PolarHBondContact O-N 2.88Å; E179-H181 VanDerWaalsContact O-N 3.12Å; H181-H193 CarbonylContact O-C 3.54Å; H181-H193 VanDerWaalsContact O-CA 3.29Å; H181-H193 WeakPolarHBondContact O-CA 3.5Å; H181-T194 PolarHBondContact O-N 3.09Å; H181-Y195 HydrophobicContact CB-CE1 4.4Å
182L87.4Confident85.2Confident37 Ų3776.1 Ų76.119%0.19439%0.393CS..EExtended strand (participates in β ladder)trans-87.5108.3-179-174.672.1000110.8V168 C170 D178 E179V168-L182 WeakPolarHBondContact O-CD2 3.43Å; C170-L182 HydrophobicContact CB-CD1 4.14Å; D178-L182 PolarHBondContact O-N 2.98Å; E179-L182 WeakPolarHBondContact O-CB 3.25Å; E179-L182 PolarHBondContact O-N 3.49Å; E179-L182 VanDerWaalsContact O-N 3.09Å
183L87.3Confident85.4Confident11 Ų1172.2 Ų72.26%0.05837%0.369CS..EExtended strand (participates in β ladder)trans-85128.9174.6-57.6-177000110.9G191 Y192 T194 L197 L201 I204 P205 W209L183-G191 CarbonylContact O-C 3.5Å; L183-G191 WeakPolarHBondContact O-CA 3.4Å; L183-Y192 WeakPolarHBondContact CB-O 3.47Å; L183-Y192 PolarHBondContact N-O 2.71Å; L183-Y192 PolarHBondContact O-N 3.26Å; L183-T194 HydrophobicContact CD1-CG2 4.09Å; L183-T194 HydrophobicContact CD2-CG2 4.27Å; L183-T194 HydrophobicContact CG-CG2 4.03Å; L183-L197 HydrophobicContact CD1-CD1 4.15Å; L183-L201 HydrophobicContact CD1-CD1 3.93Å; L183-I204 HydrophobicContact CD2-CB 4.2Å; L183-I204 HydrophobicContact CD2-CG1 3.99Å; L183-I204 HydrophobicContact CD2-CG2 3.84Å; L183-P205 HydrophobicContact CD1-CG 4.31Å; L183-W209 HydrophobicContact CB-CD2 4.17Å; L183-W209 HydrophobicContact CB-CE3 3.8Å; L183-W209 HydrophobicContact CB-CH2 4.36Å; L183-W209 HydrophobicContact CB-CZ3 3.89Å; L183-W209 HydrophobicContact CD1-CD2 4.07Å; L183-W209 HydrophobicContact CD1-CG 4.4Å; L183-W209 HydrophobicContact CD1-CZ2 4.34Å
184L90Very high85.3Confident95 Ų9570.3 Ų70.350%0.49736%0.356SS..EExtended strand (participates in β ladder)trans-94.5136.9170.1-59.3-179.4000109.7V168V168-L184 HydrophobicContact CB-CD2 4.28Å; V168-L184 HydrophobicContact CG1-CD2 3.48Å; V168-L184 VanDerWaalsContact CG1-CD2 3.48Å
185C88.8Confident85.6Confident1 Ų169.1 Ų69.11%0.00735%0.347CS..PPolyproline II helixtrans-84.9119.8176.2175.10000112.4H187 C188 D189 R190 W209 C211 C214C185-H187 PolarHBondContact O-N 3.2Å; C185-C188 PolarHBondContact O-N 3.06Å; C185-D189 PolarHBondContact O-N 2.8Å; C185-R190 PolarHBondContact N-O 2.94Å; C185-W209 WeakPolarHBondContact CA-O 3.42Å; C185-W209 HydrophobicContact CB-CE3 4.18Å; C185-W209 HydrophobicContact CB-CZ3 3.94Å; C185-C211 HydrophobicContact CB-CB 3.91Å; C185-C211 PolarHBondContact SG-N 3.41Å; C185-C214 VanDerWaalsContact SG-SG 3.63Å
186D87.4Confident85.8Confident99 Ų9963.5 Ų63.553%0.52933%0.329SS..THydrogen-bonded Turntrans-62-5.8-176.1-68.1-66.1000115.9D208 W209 F210D186-D208 WeakPolarHBondContact OD2-CA 3.42Å; D186-W209 PolarHBondContact N-O 2.89Å; D186-W209 PolarHBondContact OD2-N 3.17Å; D186-F210 HydrophobicContact CB-CE1 4.23Å
187H85Confident86.2Confident99 Ų9961.1 Ų61.146%0.45831%0.313SS..THydrogen-bonded Turntrans-102-30.8172.5-175.663.9000114.5C185 F210 C214 I219C185-H187 PolarHBondContact O-N 3.2Å; H187-F210 HydrophobicContact CB-CD1 4.09Å; H187-F210 HydrophobicContact CB-CE1 4.17Å; H187-C214 HydrophobicContact CB-CB 4.36Å; H187-I219 HydrophobicContact CB-CG2 4.45Å; H187-I219 WeakPolarHBondContact CD2-CD1 3.21Å; H187-I219 WeakPolarHBondContact NE2-CD1 3.42Å
188C88.2Confident86.4Confident40 Ų4062.8 Ų62.827%0.2733%0.328SS..THydrogen-bonded Turntrans-136.37.4-167.275.20000115.1C185 R190C185-C188 PolarHBondContact O-N 3.06Å; C188-R190 PolarHBondContact O-N 2.65Å
189D85.8Confident86.6Confident127 Ų12763.4 Ų63.468%0.67934%0.335SS*.  trans56.217.9175-51.7-41.9000115.1C185C185-D189 PolarHBondContact O-N 2.8Å
190R86.8Confident86.7Confident110 Ų11059.9 Ų59.942%0.41533%0.326SS..  trans-85.3138.4-179.1-71.4-179-175.7-117.83.4111.8E171 C185 C188 Y192E171-R190 HydrophobicContact CG-CB 4.02Å; E171-R190 HydrophobicContact CG-CG 4.27Å; E171-R190 WeakPolarHBondContact OE1-CD 3.19Å; E171-R190 VanDerWaalsContact OE1-CG 3.27Å; E171-R190 WeakPolarHBondContact OE1-CG 3.47Å; E171-R190 IonicContact OE1-CZ 3.01Å; E171-R190 IonicContact OE1-NE 3.91Å; E171-R190 IonicContact OE1-NH1 2.66Å; E171-R190 PolarHBondContact OE1-NH1 2.96Å; E171-R190 IonicContact OE2-NH1 3.83Å; E171-R190 PolarHBondContact OE2-NH1 2.71Å; C185-R190 PolarHBondContact N-O 2.94Å; C188-R190 PolarHBondContact O-N 2.65Å; R190-Y192 HydrophobicContact CB-CE2 3.74Å
191G88.4Confident86.9Confident1 Ų159 Ų591%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-87.2139.4179.600000114.6V168 C170 E171 L183V168-G191 VanDerWaalsContact CG1-CA 3.45Å; V168-G191 VanDerWaalsContact CG1-N 3.25Å; C170-G191 VanDerWaalsContact CA-O 3.31Å; C170-G191 WeakPolarHBondContact CA-O 3.26Å; E171-G191 PolarHBondContact N-O 3.13Å; L183-G191 CarbonylContact O-C 3.5Å; L183-G191 WeakPolarHBondContact O-CA 3.4Å
192Y89.6Confident86.6Confident22 Ų2261.2 Ų61.29%0.08634%0.336CS..EExtended strand (participates in β ladder)trans-143.2123.7172.1-62.4-96.9000110.2E171 V172 L183 R190 L197 W209 C211E171-Y192 HydrophobicContact CB-CD1 4.25Å; E171-Y192 HydrophobicContact CB-CE1 3.64Å; E171-Y192 HydrophobicContact CB-CE2 4.46Å; E171-Y192 HydrophobicContact CG-CE1 4.29Å; E171-Y192 HydrophobicContact CG-CE2 4.26Å; V172-Y192 HydrophobicContact CG2-CD1 4.07Å; V172-Y192 HydrophobicContact CG2-CE1 4.28Å; L183-Y192 WeakPolarHBondContact CB-O 3.47Å; L183-Y192 PolarHBondContact N-O 2.71Å; L183-Y192 PolarHBondContact O-N 3.26Å; R190-Y192 HydrophobicContact CB-CE2 3.74Å; Y192-L197 HydrophobicContact CD1-CD2 4.01Å; Y192-L197 HydrophobicContact CG-CD2 3.98Å; Y192-W209 AromaticContact CD2-CH2 3.56Å; Y192-W209 HydrophobicContact CD2-CH2 3.56Å; Y192-W209 AromaticContact CD2-CZ3 3.79Å; Y192-W209 HydrophobicContact CD2-CZ3 3.79Å; Y192-W209 HydrophobicContact CE2-CH2 4.35Å; Y192-W209 AromaticContact CG-CH2 3.83Å; Y192-W209 HydrophobicContact CG-CH2 3.83Å; Y192-W209 HydrophobicContact CG-CZ3 4.42Å; Y192-C211 HydrophobicContact CD2-CB 3.77Å; Y192-C211 HydrophobicContact CE2-CB 3.23Å
193H90.9Very high86.3Confident0 Ų063 Ų630%035%0.351CS..EExtended strand (participates in β ladder)trans-63.6141.9169.1-60.4114000110.4C170 C173 D177 H181 Y195 C196 L197C170-H193 VanDerWaalsContact CB-CE1 3.44Å; C170-H193 WeakPolarHBondContact CB-CE1 3.35Å; C170-H193 WeakPolarHBondContact CB-ND1 3.31Å; C170-H193 PolarHBondContact SG-N 3.01Å; C173-H193 PolarHBondContact SG-CE1 3.47Å; C173-H193 PolarHBondContact SG-ND1 3.05Å; D177-H193 PolarHBondContact O-NE2 3.41Å; H181-H193 CarbonylContact O-C 3.54Å; H181-H193 VanDerWaalsContact O-CA 3.29Å; H181-H193 WeakPolarHBondContact O-CA 3.5Å; H193-Y195 HydrophobicContact CB-CD1 4.08Å; H193-Y195 HydrophobicContact CB-CD2 3.95Å; H193-Y195 HydrophobicContact CB-CE1 3.82Å; H193-Y195 HydrophobicContact CB-CE2 3.65Å; H193-Y195 HydrophobicContact CB-CG 4.15Å; H193-Y195 AromaticContact CG-CE2 3.91Å; H193-Y195 AromaticContact CG-CZ 3.6Å; H193-Y195 AromaticContact ND1-CZ 4Å; H193-Y195 PolarHBondContact O-N 3.1Å; H193-Y195 VanDerWaalsContact O-N 3.12Å; H193-C196 HydrophobicContact CB-CB 3.89Å; H193-C196 PolarHBondContact O-N 2.98Å; H193-L197 PolarHBondContact O-N 3.3Å
194T87.7Confident86.2Confident5 Ų567.2 Ų67.23%0.03137%0.373CS..G310 helixtrans-49.5-40.3175.6550000112H181 L183 P200 L201H181-T194 PolarHBondContact O-N 3.09Å; L183-T194 HydrophobicContact CD1-CG2 4.09Å; L183-T194 HydrophobicContact CD2-CG2 4.27Å; L183-T194 HydrophobicContact CG-CG2 4.03Å; T194-P200 CarbonylContact O-C 3.57Å; T194-P200 VanDerWaalsContact O-CA 3.31Å; T194-P200 WeakPolarHBondContact O-CA 3.3Å; T194-L201 WeakPolarHBondContact CB-O 3.48Å; T194-L201 HydrophobicContact CG2-CB 4.43Å; T194-L201 PolarHBondContact O-N 2.78Å
195Y89.6Confident85.9Confident107 Ų10765 Ų6542%0.4236%0.364SS..G310 helixtrans-81.4-14.6177.958-105.2000115.1D178 H181 H193D178-Y195 HydrophobicContact CB-CE1 4.44Å; D178-Y195 PolarHBondContact OD2-OH 3.38Å; H181-Y195 HydrophobicContact CB-CE1 4.4Å; H193-Y195 HydrophobicContact CB-CD1 4.08Å; H193-Y195 HydrophobicContact CB-CD2 3.95Å; H193-Y195 HydrophobicContact CB-CE1 3.82Å; H193-Y195 HydrophobicContact CB-CE2 3.65Å; H193-Y195 HydrophobicContact CB-CG 4.15Å; H193-Y195 AromaticContact CG-CE2 3.91Å; H193-Y195 AromaticContact CG-CZ 3.6Å; H193-Y195 AromaticContact ND1-CZ 4Å; H193-Y195 PolarHBondContact O-N 3.1Å; H193-Y195 VanDerWaalsContact O-N 3.12Å
196C87.7Confident85.4Confident24 Ų2470.9 Ų70.916%0.16240%0.395CS..G310 helixtrans-90.2-6.1176-78.80000113.5V172 H193V172-C196 HydrophobicContact CB-CB 4Å; V172-C196 HydrophobicContact CG1-CB 4.25Å; V172-C196 HydrophobicContact CG2-CB 4.46Å; H193-C196 HydrophobicContact CB-CB 3.89Å; H193-C196 PolarHBondContact O-N 2.98Å
197L86.5Confident85.1Confident12 Ų1269.1 Ų69.16%0.06340%0.401CS..SBendtrans-67.6148.2174-68.3175.6000111.3L183 Y192 H193 T199 L201 W209 P212L183-L197 HydrophobicContact CD1-CD1 4.15Å; Y192-L197 HydrophobicContact CD1-CD2 4.01Å; Y192-L197 HydrophobicContact CG-CD2 3.98Å; H193-L197 PolarHBondContact O-N 3.3Å; L197-T199 VanDerWaalsContact CB-O 3.32Å; L197-T199 WeakPolarHBondContact CB-O 3.4Å; L197-T199 CarbonylContact O-C 3.58Å; L197-T199 PolarHBondContact O-N 2.96Å; L197-T199 VanDerWaalsContact O-N 3.13Å; L197-L201 HydrophobicContact CD1-CD1 3.66Å; L197-L201 HydrophobicContact CD1-CG 3.87Å; L197-W209 HydrophobicContact CD1-CZ2 3.77Å; L197-W209 HydrophobicContact CD2-CH2 3.84Å; L197-W209 HydrophobicContact CD2-CZ2 3.59Å; L197-W209 HydrophobicContact CG-CZ2 4.34Å; L197-P212 HydrophobicContact CD2-CG 4.5Å
198P80.8Confident85Confident108 Ų10870.4 Ų70.470%0.70141%0.411SS*.SBendtrans-62.1-22.6179.126.4-35.4000112.9P212P198-P212 HydrophobicContact CG-CG 3.98Å
199T84Confident85Confident104 Ų10470.2 Ų70.264%0.63840%0.404SS*.SBendtrans-115.9102.7159.949.90000106.8L197 L201L197-T199 VanDerWaalsContact CB-O 3.32Å; L197-T199 WeakPolarHBondContact CB-O 3.4Å; L197-T199 CarbonylContact O-C 3.58Å; L197-T199 PolarHBondContact O-N 2.96Å; L197-T199 VanDerWaalsContact O-N 3.13Å; T199-L201 PolarHBondContact O-N 2.89Å
200P83.7Confident85.1Confident93 Ų9366 Ų6660%0.60438%0.38SS*.  trans-66.9132.1-175.226.1-34000110.7T194T194-P200 CarbonylContact O-C 3.57Å; T194-P200 VanDerWaalsContact O-CA 3.31Å; T194-P200 WeakPolarHBondContact O-CA 3.3Å
201L84.7Confident85.2Confident60 Ų6060.8 Ų60.831%0.31436%0.361SS..  trans-91.3137.3178.4-61.8178.6000110.4L183 T194 L197 T199 S203 P205L183-L201 HydrophobicContact CD1-CD1 3.93Å; T194-L201 WeakPolarHBondContact CB-O 3.48Å; T194-L201 HydrophobicContact CG2-CB 4.43Å; T194-L201 PolarHBondContact O-N 2.78Å; L197-L201 HydrophobicContact CD1-CD1 3.66Å; L197-L201 HydrophobicContact CD1-CG 3.87Å; T199-L201 PolarHBondContact O-N 2.89Å; L201-S203 VanDerWaalsContact C-N 3.35Å; L201-P205 HydrophobicContact CD1-CG 4.31Å
202S78.8Confident85Confident130 Ų13063 Ų6391%0.90937%0.374SS*.SBendtrans-78.5-18.5176.649.50000113.6
203S81.4Confident84.9Confident75 Ų7565.2 Ų65.252%0.52439%0.386SS..SBendtrans-146.3167.717768.40000111L201L201-S203 VanDerWaalsContact C-N 3.35Å
204I84.7Confident84.7Confident100 Ų10065.3 Ų65.351%0.51339%0.387SS..PPolyproline II helixtrans-61.6133.3162.5-60.2174.9000107.9L183L183-I204 HydrophobicContact CD2-CB 4.2Å; L183-I204 HydrophobicContact CD2-CG1 3.99Å; L183-I204 HydrophobicContact CD2-CG2 3.84Å
205P82.7Confident84.5Confident47 Ų4771 Ų7131%0.30541%0.408SS..PPolyproline II helixtrans-76.614817530.5-32.7000111.6L183 L201 W209L183-P205 HydrophobicContact CD1-CG 4.31Å; L201-P205 HydrophobicContact CD1-CG 4.31Å; P205-W209 HydrophobicContact CG-CB 4.23Å; P205-W209 HydrophobicContact CG-CG 4.07Å
206D78.1Confident84.2Confident125 Ų12574.9 Ų74.967%0.66842%0.422SS*.SBendtrans-78123.7174.6-62-73.9000111.8R275D206-R275 IonicContact OD1-NH1 3.9Å; D206-R275 IonicContact OD2-CZ 3.53Å; D206-R275 IonicContact OD2-NH1 3.41Å; D206-R275 PolarHBondContact OD2-NH1 3.22Å; D206-R275 IonicContact OD2-NH2 3.51Å
207G81.5Confident83.9Confident62 Ų6279.1 Ų79.164%0.63944%0.44SS*.SBendtrans96.5-167.4174.800000113.9W209G207-W209 PolarHBondContact O-N 2.97Å
208D83.9Confident83.5Confident126 Ų12681.6 Ų81.667%0.67447%0.468SS*.  trans-61.1123.8-173.7-547.6000111.3D186 F210D186-D208 WeakPolarHBondContact OD2-CA 3.42Å; D208-F210 HydrophobicContact CB-CE2 3.85Å; D208-F210 HydrophobicContact CB-CZ 4.11Å
209W88.2Confident82.9Confident36 Ų3679.3 Ų79.314%0.13645%0.449CS..  trans-113.7133.6-178.1-17678.7000113L183 C185 D186 Y192 L197 P205 G207 C211L183-W209 HydrophobicContact CB-CD2 4.17Å; L183-W209 HydrophobicContact CB-CE3 3.8Å; L183-W209 HydrophobicContact CB-CH2 4.36Å; L183-W209 HydrophobicContact CB-CZ3 3.89Å; L183-W209 HydrophobicContact CD1-CD2 4.07Å; L183-W209 HydrophobicContact CD1-CG 4.4Å; L183-W209 HydrophobicContact CD1-CZ2 4.34Å; C185-W209 WeakPolarHBondContact CA-O 3.42Å; C185-W209 HydrophobicContact CB-CE3 4.18Å; C185-W209 HydrophobicContact CB-CZ3 3.94Å; D186-W209 PolarHBondContact N-O 2.89Å; D186-W209 PolarHBondContact OD2-N 3.17Å; Y192-W209 AromaticContact CD2-CH2 3.56Å; Y192-W209 HydrophobicContact CD2-CH2 3.56Å; Y192-W209 AromaticContact CD2-CZ3 3.79Å; Y192-W209 HydrophobicContact CD2-CZ3 3.79Å; Y192-W209 HydrophobicContact CE2-CH2 4.35Å; Y192-W209 AromaticContact CG-CH2 3.83Å; Y192-W209 HydrophobicContact CG-CH2 3.83Å; Y192-W209 HydrophobicContact CG-CZ3 4.42Å; L197-W209 HydrophobicContact CD1-CZ2 3.77Å; L197-W209 HydrophobicContact CD2-CH2 3.84Å; L197-W209 HydrophobicContact CD2-CZ2 3.59Å; L197-W209 HydrophobicContact CG-CZ2 4.34Å; P205-W209 HydrophobicContact CG-CB 4.23Å; P205-W209 HydrophobicContact CG-CG 4.07Å; G207-W209 PolarHBondContact O-N 2.97Å; W209-C211 VanDerWaalsContact CH2-CA 3.49Å; W209-C211 HydrophobicContact CH2-CB 3.58Å; W209-C211 HydrophobicContact CZ2-CB 4.35Å; W209-C211 HydrophobicContact CZ3-CB 3.88Å
210F88.3Confident82Confident40 Ų4075.4 Ų75.418%0.17543%0.425CS..  trans-121.3126.1-178-58.9-82.5000111D186 H187 D208 C214 V220D186-F210 HydrophobicContact CB-CE1 4.23Å; H187-F210 HydrophobicContact CB-CD1 4.09Å; H187-F210 HydrophobicContact CB-CE1 4.17Å; D208-F210 HydrophobicContact CB-CE2 3.85Å; D208-F210 HydrophobicContact CB-CZ 4.11Å; F210-C214 HydrophobicContact CB-CB 4.39Å; F210-V220 HydrophobicContact CB-CG2 3.55Å; F210-V220 HydrophobicContact CD1-CG2 4.08Å; F210-V220 HydrophobicContact CD2-CB 4.35Å; F210-V220 HydrophobicContact CD2-CG1 3.84Å; F210-V220 HydrophobicContact CD2-CG2 3.63Å; F210-V220 HydrophobicContact CE2-CG1 4.1Å; F210-V220 HydrophobicContact CE2-CG2 4.37Å; F210-V220 HydrophobicContact CG-CG2 3.46Å; F210-V220 VanDerWaalsContact CG-CG2 3.46Å
211C88.7Confident80.7Confident0 Ų075.2 Ų75.20%042%0.424CS..  trans-65.6159.4178.671.80000111.8C185 Y192 W209 E213 C214 Y215C185-C211 HydrophobicContact CB-CB 3.91Å; C185-C211 PolarHBondContact SG-N 3.41Å; Y192-C211 HydrophobicContact CD2-CB 3.77Å; Y192-C211 HydrophobicContact CE2-CB 3.23Å; W209-C211 VanDerWaalsContact CH2-CA 3.49Å; W209-C211 HydrophobicContact CH2-CB 3.58Å; W209-C211 HydrophobicContact CZ2-CB 4.35Å; W209-C211 HydrophobicContact CZ3-CB 3.88Å; C211-E213 PolarHBondContact O-N 2.84Å; C211-C214 PolarHBondContact O-N 3.33Å; C211-C214 VanDerWaalsContact SG-SG 3.68Å; C211-Y215 PolarHBondContact O-N 2.98Å
212P84.4Confident79.3Confident46 Ų4679.7 Ų79.730%0.29945%0.448SS..Hα-helixtrans-56-20.7179.6-27.335.6000114.6L197 P198 R216L197-P212 HydrophobicContact CD2-CG 4.5Å; P198-P212 HydrophobicContact CG-CG 3.98Å; P212-R216 WeakPolarHBondContact O-CB 3.12Å; P212-R216 WeakPolarHBondContact O-CG 3.13Å; P212-R216 PolarHBondContact O-N 3.08Å; P212-R216 VanDerWaalsContact O-N 3.14Å; P212-R216 PolarHBondContact O-NE 3.34Å
213E86.3Confident78.3Confident69 Ų6981.7 Ų81.732%0.32244%0.443SS..Hα-helixtrans-74.7-50.2173.6-169.654.2-14600112.1C211 Y215 R216 Q217C211-E213 PolarHBondContact O-N 2.84Å; E213-Y215 VanDerWaalsContact C-N 3.27Å; E213-Y215 PolarHBondContact O-N 3.17Å; E213-R216 PolarHBondContact O-N 3.31Å; E213-R216 IonicContact OE2-CZ 3.04Å; E213-R216 IonicContact OE2-NE 3.89Å; E213-R216 IonicContact OE2-NH2 2.86Å; E213-R216 PolarHBondContact OE2-NH2 3.38Å; E213-Q217 WeakPolarHBondContact O-CG 3.29Å; E213-Q217 PolarHBondContact O-N 3.46Å; E213-Q217 PolarHBondContact OE1-NE2 2.83Å
214C87.3Confident77Confident3 Ų384.1 Ų84.12%0.0245%0.448CS..Hα-helixtrans-65.2-32.7176.7-640000112.3C185 H187 F210 C211 Q217 G218 I219C185-C214 VanDerWaalsContact SG-SG 3.63Å; H187-C214 HydrophobicContact CB-CB 4.36Å; F210-C214 HydrophobicContact CB-CB 4.39Å; C211-C214 PolarHBondContact O-N 3.33Å; C211-C214 VanDerWaalsContact SG-SG 3.68Å; C214-Q217 PolarHBondContact O-N 2.88Å; C214-G218 PolarHBondContact O-N 2.98Å; C214-I219 HydrophobicContact CB-CD1 4.46Å; C214-I219 PolarHBondContact O-N 3.21Å
215Y83.1Confident75.2Confident123 Ų12384.3 Ų84.348%0.48245%0.449SS..Hα-helixtrans-64.9-46.4172.5-151-80.4000111.5C211 E213 Q217 G218 V220 I225C211-Y215 PolarHBondContact O-N 2.98Å; E213-Y215 VanDerWaalsContact C-N 3.27Å; E213-Y215 PolarHBondContact O-N 3.17Å; Y215-Q217 VanDerWaalsContact C-N 3.26Å; Y215-Q217 PolarHBondContact O-N 3.29Å; Y215-G218 PolarHBondContact O-N 2.77Å; Y215-G218 VanDerWaalsContact O-N 3.13Å; Y215-V220 HydrophobicContact CD2-CB 4.44Å; Y215-V220 HydrophobicContact CD2-CG2 3.86Å; Y215-V220 HydrophobicContact CE2-CG2 4.4Å; Y215-V220 HydrophobicContact CG-CG2 4.47Å; Y215-I225 WeakPolarHBondContact OH-CD1 3.24Å
216R84Confident73.1Confident190 Ų19088.5 Ų88.572%0.71747%0.474SS*.Hα-helixtrans-63.8-28.2174.3-78-175.7-61.6-167.42.7113.6P212 E213 G218P212-R216 WeakPolarHBondContact O-CB 3.12Å; P212-R216 WeakPolarHBondContact O-CG 3.13Å; P212-R216 PolarHBondContact O-N 3.08Å; P212-R216 VanDerWaalsContact O-N 3.14Å; P212-R216 PolarHBondContact O-NE 3.34Å; E213-R216 PolarHBondContact O-N 3.31Å; E213-R216 IonicContact OE2-CZ 3.04Å; E213-R216 IonicContact OE2-NE 3.89Å; E213-R216 IonicContact OE2-NH2 2.86Å; E213-R216 PolarHBondContact OE2-NH2 3.38Å; R216-G218 VanDerWaalsContact C-N 3.26Å; R216-G218 PolarHBondContact O-N 3.2Å
217Q80.9Confident71.4Confident113 Ų11387.9 Ų87.953%0.52848%0.475SS..THydrogen-bonded Turntrans-81.1-0.8176.7-68.8178.123.600113.6E213 C214 Y215 I219E213-Q217 WeakPolarHBondContact O-CG 3.29Å; E213-Q217 PolarHBondContact O-N 3.46Å; E213-Q217 PolarHBondContact OE1-NE2 2.83Å; C214-Q217 PolarHBondContact O-N 2.88Å; Y215-Q217 VanDerWaalsContact C-N 3.26Å; Y215-Q217 PolarHBondContact O-N 3.29Å; Q217-I219 HydrophobicContact CB-CD1 3.79Å; Q217-I219 HydrophobicContact CB-CG1 3.81Å; Q217-I219 PolarHBondContact O-N 3.45Å
218G77.4Confident69.6Low64 Ų6491.5 Ų91.566%0.6648%0.48SS*.THydrogen-bonded Turntrans71.627.4174.200000114.2C214 Y215 R216C214-G218 PolarHBondContact O-N 2.98Å; Y215-G218 PolarHBondContact O-N 2.77Å; Y215-G218 VanDerWaalsContact O-N 3.13Å; R216-G218 VanDerWaalsContact C-N 3.26Å; R216-G218 PolarHBondContact O-N 3.2Å
219I69.5Low68Low60 Ų6091.7 Ų91.731%0.30849%0.485SS..  trans-85.4-19.4-173.9-51.1-176.3000111.6H187 C214 Q217H187-I219 HydrophobicContact CB-CG2 4.45Å; H187-I219 WeakPolarHBondContact CD2-CD1 3.21Å; H187-I219 WeakPolarHBondContact NE2-CD1 3.42Å; C214-I219 HydrophobicContact CB-CD1 4.46Å; C214-I219 PolarHBondContact O-N 3.21Å; Q217-I219 HydrophobicContact CB-CD1 3.79Å; Q217-I219 HydrophobicContact CB-CG1 3.81Å; Q217-I219 PolarHBondContact O-N 3.45Å
220V63.8Low65.7Low22 Ų2294 Ų9413%0.13351%0.512CS..SBendtrans-85.9130.1179.1-165.60000110.3F210 Y215F210-V220 HydrophobicContact CB-CG2 3.55Å; F210-V220 HydrophobicContact CD1-CG2 4.08Å; F210-V220 HydrophobicContact CD2-CB 4.35Å; F210-V220 HydrophobicContact CD2-CG1 3.84Å; F210-V220 HydrophobicContact CD2-CG2 3.63Å; F210-V220 HydrophobicContact CE2-CG1 4.1Å; F210-V220 HydrophobicContact CE2-CG2 4.37Å; F210-V220 HydrophobicContact CG-CG2 3.46Å; F210-V220 VanDerWaalsContact CG-CG2 3.46Å; Y215-V220 HydrophobicContact CD2-CB 4.44Å; Y215-V220 HydrophobicContact CD2-CG2 3.86Å; Y215-V220 HydrophobicContact CE2-CG2 4.4Å; Y215-V220 HydrophobicContact CG-CG2 4.47Å
221P57.3Low63.5Low89 Ų8997.3 Ų97.358%0.57854%0.54SS*.  trans-57.9140.9170.1-24.635.2000112.2E223P221-E223 PolarHBondContact O-N 3.1Å
222L55.3Low61.3Low154 Ų154102.7 Ų102.781%0.80657%0.573SS**THydrogen-bonded Turntrans-81.444.1-168.9-15876.5000113.4I225L222-I225 HydrophobicContact CD1-CD1 4.35Å
223E56.6Low59.3Low172 Ų172106.5 Ų106.580%0.80460%0.595SS**THydrogen-bonded Turntrans-1270.2-167.9-64.5-177.9-133.600113.6P221P221-E223 PolarHBondContact O-N 3.1Å
224I54.9Low57.2Low126 Ų126108.7 Ų108.765%0.64661%0.614SS**  trans-11150.7179.1-38.6178.8000110.8
225I47.4Very low55.2Low103 Ų103114 Ų11453%0.52865%0.646SS.*  trans-137.463.4178.5-41.8178.3000111.2Y215 L222Y215-I225 WeakPolarHBondContact OH-CD1 3.24Å; L222-I225 HydrophobicContact CD1-CD1 4.35Å
226T38.2Very low53.3Low135 Ų135115.3 Ų115.383%0.82866%0.662SS**  trans-148.8130.5160.452.40000107.2
227T42.9Very low51.2Low112 Ų112116.7 Ų116.769%0.68767%0.667SS**  cis-76.2-154.4-3.452.60000110.2
228D44.2Very low49.2Very low138 Ų138121.6 Ų121.674%0.73868%0.681SS**  cis-152.5-177.98-137.3-53.1000112.8
229V48.6Very low47.6Very low130 Ų130124 Ų12479%0.78868%0.682SS**  trans-134.7121.9-161.6179.80000111.8
230A39.8Very low46.3Very low85 Ų85132 Ų13270%0.70271%0.708SS**  -179.5134.7127.400000111.7
231S43.2Very low44.9Very low109 Ų109142.3 Ų142.376%0.76275%0.745SS**  trans57.3135.9148.3-58.90000119.7
232T42.1Very low43.8Very low113 Ų113143.6 Ų143.669%0.69376%0.756SS**  cis-167.6148.4-0.38.80000108.1
233T43Very low43.2Very low126 Ų126142.8 Ų142.877%0.77376%0.757SS**  trans62.5144.9157.559.40000117.9
234T42.5Very low42.2Very low115 Ų115146.1 Ų146.171%0.70676%0.762SS**  cis-159159.6-2.85.40000111.6
235T44.4Very low41.2Very low115 Ų115151.2 Ų151.271%0.70677%0.774SS**  trans4990.8150.957.50000120.9
236N43.5Very low40.9Very low150 Ų150157.7 Ų157.780%0.80279%0.791SS**  -179.598.7102.7-97.4-54.5000111
237R39.1Very low41Very low220 Ų220159.1 Ų159.183%0.8379%0.793SS**  54.3118.789.3-94.1-174.1171.9179.6-0.4116.5
238R38.9Very low40.7Very low216 Ų216160.5 Ų160.582%0.81580%0.795SS**  trans88.497.1136.6-166.7-169.7-77.6172.6-7.4118.5
239V44.8Very low40.3Very low114 Ų114160.8 Ų160.869%0.69180%0.796SS**  176.7130.4120.6148.90000110.3
240R41.1Very low40.1Very low227 Ų227159.3 Ų159.386%0.85779%0.792SS**  trans46.3122.3164.3-65.2162.7-172.9157.4-0.2118.1
241R34.3Very low40.2Very low240 Ų240163.5 Ų163.591%0.90680%0.797SS**  cis63.1134.713.2-94.5-178177.2155.21.9117.3
242S35.8Very low40.1Very low115 Ų115161.7 Ų161.780%0.80479%0.789SS**  trans70.8130.6-164.175.50000113.6
243V41.8Very low40.4Very low138 Ų138164.9 Ų164.984%0.83680%0.796SS**  cis-131131.15.31770000110.5
244R34.7Very low40.3Very low241 Ų241167.3 Ų167.391%0.90980%0.798SS**  trans-148.5102.7168.3-176.6178.8-178.2174.80.8110
245R35.3Very low40.3Very low234 Ų234166 Ų16688%0.88379%0.793SS**  trans-176.6153.9165.1-106.6174-169.6-162.20.4108.4
246R40.1Very low40.1Very low238 Ų238168.3 Ų168.390%0.89880%0.796SS**SBendtrans69117-158.6-50.7177.9-175.6176.90.3110.6
247L40.2Very low39.9Very low166 Ų166168.5 Ų168.587%0.86979%0.792SS**  cis-131156.1-3.8-67.4166.3000109.9
248I37.6Very low40Very low140 Ų140165 Ų16572%0.71879%0.79SS**  trans-144.1165.5174-56.5-177000105.8
249D35.9Very low40Very low145 Ų145162.4 Ų162.478%0.77579%0.787SS**  trans81.8102.7170.2-50.8-51.2000117.6
250S43.7Very low39.9Very low99 Ų99164.6 Ų164.669%0.69279%0.794SS**  -160.6111.1113-86.60000105.8
251E42.2Very low39.5Very low173 Ų173160.2 Ų160.281%0.80879%0.787SS**  76.4139.683-69.6158.214100113.1
252A41.5Very low39.5Very low71 Ų71154.3 Ų154.359%0.58778%0.778SS**  cis-167.7154.4-1800000109.3
253E48.1Very low39.6Very low180 Ų180153.1 Ų153.184%0.84177%0.77SS**  trans38.8164.8155.6-75109.9-98.500121.5
254E41.2Very low39.4Very low177 Ų177154.1 Ų154.183%0.82777%0.77SS**  cis-124.913827.7-67.9165166.800109.8
255S42.9Very low39.4Very low86 Ų86149 Ų14960%0.60176%0.76SS**  68.8134.556.681.10000114
256E38.9Very low39.3Very low164 Ų164141.9 Ų141.977%0.76675%0.747SS**  cis-170-169.6-13.8-125.9161.4-92.400109.3
257H40.7Very low39Very low155 Ų155136 Ų13672%0.71874%0.742SS**  trans72.8146.5168.2-59.3-68.3000118.8
258D39.8Very low39Very low146 Ų146133.6 Ų133.678%0.78174%0.739SS**  cis-150.3167.7-5.8-118-10.8000112.6
259E39.7Very low38.8Very low161 Ų161135.3 Ų135.375%0.75274%0.744SS**  trans-81.1165.8-176.5-51.9-169.7132.800114.8
260L43.2Very low38.8Very low161 Ų161134.5 Ų134.584%0.84374%0.74SS**  -178.9156.1109.1-95.6171.2000115.1
261N32.7Very low38.3Very low134 Ų134137.2 Ų137.272%0.71775%0.745SS**  trans-66.1173.8170.9-76-72.7000111.9
262T33.5Very low37.8Very low116 Ų116136.9 Ų136.971%0.71274%0.744SS**  cis-169.7142.839.7-27.90000114
263S37.2Very low37.5Very low90 Ų90141.9 Ų141.963%0.62976%0.759SS**  trans56.5141.3138.6640000124.8
264L38.8Very low36.9Very low160 Ų160138.4 Ų138.484%0.83875%0.751SS**  trans73.2142.6150.3-68.6158.5000117.1
265D33.6Very low37.3Very low132 Ų132139 Ų13971%0.70675%0.746SS**  cis-151157.2-1.9-170.617000112.1
266S34.2Very low37.3Very low86 Ų86143.9 Ų143.960%0.60176%0.759SS**  trans48116.3151.4-740000123.3
267S33Very low38.3Very low113 Ų113140.8 Ų140.879%0.7975%0.747SS**  trans83.1155.8136.781.50000120.8
268S41.3Very low40.1Very low117 Ų117137 Ų13782%0.81874%0.738SS**  trans89.395.7174.5-50.40000117.3
269E33.7Very low41.5Very low176 Ų176137.4 Ų137.482%0.82273%0.733SS**  trans-35.8131.6165.6-51.7165.5174.300115.7
270N35.5Very low43.1Very low128 Ų128132.4 Ų132.468%0.68472%0.719SS**  165.2138110-94-81.8000114.1
271L33.7Very low44.5Very low155 Ų155126.1 Ų126.181%0.81269%0.69SS**  trans42.789.2145.9-63.8166.6000119.2
272H31.9Very low46.5Very low166 Ų166124.7 Ų124.777%0.76968%0.68SS**  trans-145.688.4155.1-127.5-86.6000112.5
273L34.7Very low48.5Very low176 Ų176127.1 Ų127.192%0.92168%0.675SS**  trans-127.251.6173.7-92.2171.3000111.8R275L273-R275 VanDerWaalsContact C-N 3.35Å; L273-R275 PolarHBondContact O-N 3.43Å
274T35.7Very low50.4Low108 Ų108132 Ų13266%0.66368%0.68SS**  trans-83.176.4168.250.90000110.2E276T274-E276 PolarHBondContact O-N 3.42Å
275R48.6Very low51.9Low190 Ų190128.8 Ų128.872%0.71766%0.664SS**PPolyproline II helixtrans-70119171.3-175.1166.8174.9178-12.1109.2D206 L273 L277D206-R275 IonicContact OD1-NH1 3.9Å; D206-R275 IonicContact OD2-CZ 3.53Å; D206-R275 IonicContact OD2-NH1 3.41Å; D206-R275 PolarHBondContact OD2-NH1 3.22Å; D206-R275 IonicContact OD2-NH2 3.51Å; L273-R275 VanDerWaalsContact C-N 3.35Å; L273-R275 PolarHBondContact O-N 3.43Å; R275-L277 PolarHBondContact O-N 3.05Å
276E43.8Very low53.8Low187 Ų187128.8 Ų128.887%0.87466%0.659SS**PPolyproline II helixtrans-67.7119.8-170-60.8-166.5139.800112.1T274 S278T274-E276 PolarHBondContact O-N 3.42Å; E276-S278 PolarHBondContact O-N 2.75Å
277L59.6Low55.6Low99 Ų99129.6 Ų129.652%0.51865%0.653SS.*PPolyproline II helixtrans-66.6122.7167.2-74.7169.9000108.7R275 A281 Q282 L285R275-L277 PolarHBondContact O-N 3.05Å; L277-A281 HydrophobicContact CD2-CB 4.43Å; L277-Q282 HydrophobicContact CB-CG 3.93Å; L277-L285 HydrophobicContact CD1-CD1 3.98Å
278S78Confident57.4Low76 Ų76128.7 Ų128.753%0.53164%0.637SS.*PPolyproline II helixtrans-53.8149.2179.372.60000111.8E276 A280 A281 Q282E276-S278 PolarHBondContact O-N 2.75Å; S278-A280 PolarHBondContact O-N 2.68Å; S278-A281 WeakPolarHBondContact O-CA 3.44Å; S278-A281 WeakPolarHBondContact O-CB 3.46Å; S278-A281 PolarHBondContact O-N 3.18Å; S278-A281 PolarHBondContact OG-N 2.75Å; S278-Q282 PolarHBondContact O-N 3.03Å
279F69.4Low58.2Low155 Ų155124.7 Ų124.768%0.6861%0.611SS**Hα-helixtrans-55.1-30.6-176.4-141.7-88.4000112.8R283F279-R283 WeakPolarHBondContact O-CB 3.4Å; F279-R283 PolarHBondContact O-N 2.85Å
280A73.2Confident59.5Low56 Ų56120.1 Ų120.146%0.46360%0.595SS.*Hα-helixtrans-72.6-37.3173.100000113.4S278 R284S278-A280 PolarHBondContact O-N 2.68Å; A280-R284 WeakPolarHBondContact O-CB 3.32Å; A280-R284 VanDerWaalsContact O-CG 3.23Å; A280-R284 WeakPolarHBondContact O-CG 3.33Å; A280-R284 PolarHBondContact O-N 3.28Å
281A72Confident60.6Low28 Ų28122.4 Ų122.423%0.23159%0.594CS.*Hα-helixtrans-68.2-44173.400000111.4L277 S278 R284 L285L277-A281 HydrophobicContact CD2-CB 4.43Å; S278-A281 WeakPolarHBondContact O-CA 3.44Å; S278-A281 WeakPolarHBondContact O-CB 3.46Å; S278-A281 PolarHBondContact O-N 3.18Å; S278-A281 PolarHBondContact OG-N 2.75Å; A281-R284 PolarHBondContact O-N 2.7Å; A281-L285 WeakPolarHBondContact O-CG 3.29Å; A281-L285 PolarHBondContact O-N 2.69Å
282Q75.7Confident61.8Low105 Ų105123.4 Ų123.449%0.49159%0.587SS.*Hα-helixtrans-57.7-51.9173.1-79.3-172.4-14.400111.8L277 S278 R284 L285 E286L277-Q282 HydrophobicContact CB-CG 3.93Å; S278-Q282 PolarHBondContact O-N 3.03Å; Q282-R284 VanDerWaalsContact C-N 3.31Å; Q282-R284 PolarHBondContact O-N 2.66Å; Q282-L285 PolarHBondContact O-N 2.91Å; Q282-E286 WeakPolarHBondContact O-CB 3.4Å; Q282-E286 PolarHBondContact O-N 3.5Å
283R76.2Confident62.7Low166 Ų166120 Ų12063%0.62657%0.571SS**Hα-helixtrans-58.2-39.6176.3-81.5-168.1176-161.43.2113.1F279 E286 E287F279-R283 WeakPolarHBondContact O-CB 3.4Å; F279-R283 PolarHBondContact O-N 2.85Å; R283-E286 PolarHBondContact O-N 3.1Å; R283-E287 WeakPolarHBondContact O-CB 3.44Å; R283-E287 PolarHBondContact O-N 3.4Å
284R76.7Confident63.7Low193 Ų193119.4 Ų119.473%0.72856%0.557SS**Hα-helixtrans-65.4-42.2176.5-77171.9-178172.82.9112A280 A281 Q282 Q288A280-R284 WeakPolarHBondContact O-CB 3.32Å; A280-R284 VanDerWaalsContact O-CG 3.23Å; A280-R284 WeakPolarHBondContact O-CG 3.33Å; A280-R284 PolarHBondContact O-N 3.28Å; A281-R284 PolarHBondContact O-N 2.7Å; Q282-R284 VanDerWaalsContact C-N 3.31Å; Q282-R284 PolarHBondContact O-N 2.66Å; R284-Q288 WeakPolarHBondContact O-CB 3.5Å; R284-Q288 PolarHBondContact O-N 3.14Å
285L70.6Confident64.7Low93 Ų93116.6 Ų116.649%0.48755%0.549SS..Hα-helixtrans-66.6-40.4175.6-74.9165.6000111.6L277 A281 Q282 Q288 A289L277-L285 HydrophobicContact CD1-CD1 3.98Å; A281-L285 WeakPolarHBondContact O-CG 3.29Å; A281-L285 PolarHBondContact O-N 2.69Å; Q282-L285 PolarHBondContact O-N 2.91Å; L285-Q288 PolarHBondContact O-N 3.47Å; L285-A289 WeakPolarHBondContact O-CB 3.48Å; L285-A289 PolarHBondContact O-N 2.99Å
286E71.5Confident65Low132 Ų132115.2 Ų115.262%0.61754%0.544SS*.Hα-helixtrans-66-41.8175.7-174.1171.8-146.100112.3Q282 R283 A289 T290Q282-E286 WeakPolarHBondContact O-CB 3.4Å; Q282-E286 PolarHBondContact O-N 3.5Å; R283-E286 PolarHBondContact O-N 3.1Å; E286-A289 PolarHBondContact O-N 3.14Å; E286-T290 WeakPolarHBondContact O-CB 3.27Å; E286-T290 WeakPolarHBondContact O-CG2 3.39Å; E286-T290 PolarHBondContact O-N 3.38Å; E286-T290 PolarHBondContact O-OG1 3.26Å
287E72.6Confident65.9Low102 Ų102114.7 Ų114.748%0.47753%0.534SS..Hα-helixtrans-61.6-44.3170.1-89.2-156.5-142.300112.1R283 A289 T290 R291R283-E287 WeakPolarHBondContact O-CB 3.44Å; R283-E287 PolarHBondContact O-N 3.4Å; E287-A289 VanDerWaalsContact C-N 3.34Å; E287-T290 WeakPolarHBondContact CA-OG1 3.45Å; E287-T290 PolarHBondContact O-N 2.81Å; E287-T290 PolarHBondContact O-OG1 3.18Å; E287-T290 VanDerWaalsContact O-OG1 3.08Å; E287-R291 VanDerWaalsContact O-CB 3.27Å; E287-R291 WeakPolarHBondContact O-CB 3.41Å; E287-R291 VanDerWaalsContact O-CD 3.26Å; E287-R291 WeakPolarHBondContact O-CD 3.35Å; E287-R291 WeakPolarHBondContact O-CG 3.45Å; E287-R291 PolarHBondContact O-N 2.9Å; E287-R291 IonicContact OE2-CZ 3.55Å; E287-R291 IonicContact OE2-NE 2.72Å; E287-R291 PolarHBondContact OE2-NE 3.31Å; E287-R291 IonicContact OE2-NH2 3.47Å; E287-R291 PolarHBondContact OE2-NH2 3.11Å
288Q70.4Confident66.1Low95 Ų95116 Ų11644%0.44454%0.541SS..Hα-helixtrans-69.8-34.7-179.1-146-175.961.700111.5R284 L285 R292R284-Q288 WeakPolarHBondContact O-CB 3.5Å; R284-Q288 PolarHBondContact O-N 3.14Å; L285-Q288 PolarHBondContact O-N 3.47Å; Q288-R292 VanDerWaalsContact CD-NH1 3.3Å; Q288-R292 WeakPolarHBondContact O-CG 3.5Å; Q288-R292 PolarHBondContact O-N 3.44Å; Q288-R292 VanDerWaalsContact O-N 3.07Å
289A58.4Low65.7Low33 Ų33117.6 Ų117.627%0.27354%0.543SS..Hα-helixtrans-66.2-50.2172.300000111.2L285 E286 E287 R291 R292 H293L285-A289 WeakPolarHBondContact O-CB 3.48Å; L285-A289 PolarHBondContact O-N 2.99Å; E286-A289 PolarHBondContact O-N 3.14Å; E287-A289 VanDerWaalsContact C-N 3.34Å; A289-R291 VanDerWaalsContact C-N 3.31Å; A289-R291 PolarHBondContact O-N 2.88Å; A289-R292 PolarHBondContact O-N 2.91Å; A289-R292 VanDerWaalsContact O-N 3.15Å; A289-H293 VanDerWaalsContact O-CB 3.24Å; A289-H293 WeakPolarHBondContact O-CB 3.27Å; A289-H293 PolarHBondContact O-CD2 2.81Å; A289-H293 VanDerWaalsContact O-CG 3.25Å; A289-H293 PolarHBondContact O-N 3.42Å
290T62.1Low65.7Low79 Ų79115.9 Ų115.949%0.48554%0.537SS..Hα-helixtrans-64.5-32.6177.751.20000112.8E286 E287E286-T290 WeakPolarHBondContact O-CB 3.27Å; E286-T290 WeakPolarHBondContact O-CG2 3.39Å; E286-T290 PolarHBondContact O-N 3.38Å; E286-T290 PolarHBondContact O-OG1 3.26Å; E287-T290 WeakPolarHBondContact CA-OG1 3.45Å; E287-T290 PolarHBondContact O-N 2.81Å; E287-T290 PolarHBondContact O-OG1 3.18Å; E287-T290 VanDerWaalsContact O-OG1 3.08Å
291R58.8Low65.6Low176 Ų176117.8 Ų117.866%0.66454%0.539SS*.Hα-helixtrans-66.3-38171.3-71.7163.1-170.6-99.96.6112.7E287 A289E287-R291 VanDerWaalsContact O-CB 3.27Å; E287-R291 WeakPolarHBondContact O-CB 3.41Å; E287-R291 VanDerWaalsContact O-CD 3.26Å; E287-R291 WeakPolarHBondContact O-CD 3.35Å; E287-R291 WeakPolarHBondContact O-CG 3.45Å; E287-R291 PolarHBondContact O-N 2.9Å; E287-R291 IonicContact OE2-CZ 3.55Å; E287-R291 IonicContact OE2-NE 2.72Å; E287-R291 PolarHBondContact OE2-NE 3.31Å; E287-R291 IonicContact OE2-NH2 3.47Å; E287-R291 PolarHBondContact OE2-NH2 3.11Å; A289-R291 VanDerWaalsContact C-N 3.31Å; A289-R291 PolarHBondContact O-N 2.88Å
292R57.2Low65.7Low176 Ų176120.9 Ų120.966%0.66455%0.551SS**Hα-helixtrans-79-37.2176-72.9-176.7180118-0.3112.8Q288 A289 R294Q288-R292 VanDerWaalsContact CD-NH1 3.3Å; Q288-R292 WeakPolarHBondContact O-CG 3.5Å; Q288-R292 PolarHBondContact O-N 3.44Å; Q288-R292 VanDerWaalsContact O-N 3.07Å; A289-R292 PolarHBondContact O-N 2.91Å; A289-R292 VanDerWaalsContact O-N 3.15Å; R292-R294 VanDerWaalsContact C-N 3.32Å; R292-R294 PolarHBondContact O-N 2.96Å; R292-R294 VanDerWaalsContact O-N 3.08Å
293H52Low65.8Low94 Ų94120.7 Ų120.744%0.43555%0.553SS.*  trans-86.853.4-174.6-64.6-55.6000113.9A289 G295 R296A289-H293 VanDerWaalsContact O-CB 3.24Å; A289-H293 WeakPolarHBondContact O-CB 3.27Å; A289-H293 PolarHBondContact O-CD2 2.81Å; A289-H293 VanDerWaalsContact O-CG 3.25Å; A289-H293 PolarHBondContact O-N 3.42Å; H293-G295 PolarHBondContact O-N 3.06Å; H293-G295 VanDerWaalsContact O-N 3.11Å; H293-R296 HydrophobicContact CB-CB 3.66Å; H293-R296 PolarHBondContact O-N 3.27Å
294R54.8Low65.8Low165 Ų165115 Ų11562%0.62354%0.542SS*.Hα-helixtrans-56.6-25.5170.4-74.2-175.4171-164.1-7.1113R292R292-R294 VanDerWaalsContact C-N 3.32Å; R292-R294 PolarHBondContact O-N 2.96Å; R292-R294 VanDerWaalsContact O-N 3.08Å
295G57.3Low65.9Low49 Ų49108.8 Ų108.851%0.50552%0.523SS..Hα-helixtrans-79.3-16.3171.800000116.3H293 L299H293-G295 PolarHBondContact O-N 3.06Å; H293-G295 VanDerWaalsContact O-N 3.11Å; G295-L299 PolarHBondContact O-N 2.71Å; G295-L299 VanDerWaalsContact O-N 3.08Å
296R55.5Low66.5Low161 Ų161108.5 Ų108.561%0.60852%0.521SS*.Hα-helixtrans-75.8-31.9-180-176.4173.4177.3176.1-1.9112.2H293 L299 Q300H293-R296 HydrophobicContact CB-CB 3.66Å; H293-R296 PolarHBondContact O-N 3.27Å; R296-L299 PolarHBondContact O-N 2.91Å; R296-Q300 VanDerWaalsContact O-CB 3.24Å; R296-Q300 WeakPolarHBondContact O-CB 3.43Å; R296-Q300 PolarHBondContact O-N 3.04Å
297R62.2Low67.2Low176 Ų176105.3 Ų105.366%0.66451%0.513SS*.Hα-helixtrans-61.2-52.7169.1-75.4-176.1177.6-98.20.9110.3L299 Q300 D301R297-L299 VanDerWaalsContact C-N 3.27Å; R297-L299 PolarHBondContact O-N 3.22Å; R297-L299 VanDerWaalsContact O-N 3.15Å; R297-Q300 CarbonylContact O-C 3.6Å; R297-Q300 WeakPolarHBondContact O-CA 3.32Å; R297-Q300 PolarHBondContact O-N 3.32Å; R297-D301 VanDerWaalsContact C-OD2 3.23Å; R297-D301 WeakPolarHBondContact O-CB 3.35Å; R297-D301 PolarHBondContact O-N 2.86Å
298L64.2Low67.8Low127 Ų127106.9 Ų106.967%0.66552%0.521SS*.Hα-helixtrans-49.7-43.4172.8-81.2164.4000113.7L302L298-L302 WeakPolarHBondContact O-CB 3.38Å; L298-L302 PolarHBondContact O-N 2.86Å
299L68.8Low68.5Low108 Ų108109.5 Ų109.557%0.56553%0.527SS*.Hα-helixtrans-66.8-40.6175.7-163.680.9000112.6G295 R296 R297 I303G295-L299 PolarHBondContact O-N 2.71Å; G295-L299 VanDerWaalsContact O-N 3.08Å; R296-L299 PolarHBondContact O-N 2.91Å; R297-L299 VanDerWaalsContact C-N 3.27Å; R297-L299 PolarHBondContact O-N 3.22Å; R297-L299 VanDerWaalsContact O-N 3.15Å; L299-I303 HydrophobicContact CD2-CD1 4.43Å; L299-I303 HydrophobicContact CG-CD1 4.19Å; L299-I303 WeakPolarHBondContact O-CB 3.28Å; L299-I303 WeakPolarHBondContact O-CD1 3.19Å; L299-I303 WeakPolarHBondContact O-CG1 3.45Å; L299-I303 PolarHBondContact O-N 3.49Å
300Q70.4Confident69.8Low119 Ų119113.3 Ų113.356%0.55654%0.541SS*.Hα-helixtrans-73.8-38.2-177.5-168165.15.400112.1R296 R297 I303 A304R296-Q300 VanDerWaalsContact O-CB 3.24Å; R296-Q300 WeakPolarHBondContact O-CB 3.43Å; R296-Q300 PolarHBondContact O-N 3.04Å; R297-Q300 CarbonylContact O-C 3.6Å; R297-Q300 WeakPolarHBondContact O-CA 3.32Å; R297-Q300 PolarHBondContact O-N 3.32Å; Q300-I303 PolarHBondContact O-N 2.94Å; Q300-A304 WeakPolarHBondContact O-CB 3.08Å; Q300-A304 PolarHBondContact O-N 3.32Å
301D70.8Confident71Confident96 Ų96113.8 Ų113.851%0.51354%0.544SS..Hα-helixtrans-66.8-40172.5-56.8-31.3000110.4R297 A304 D305R297-D301 VanDerWaalsContact C-OD2 3.23Å; R297-D301 WeakPolarHBondContact O-CB 3.35Å; R297-D301 PolarHBondContact O-N 2.86Å; D301-A304 WeakPolarHBondContact O-CB 3.39Å; D301-A304 PolarHBondContact O-N 3.36Å; D301-D305 WeakPolarHBondContact O-CB 3.46Å; D301-D305 PolarHBondContact O-N 3.37Å
302L73.7Confident72.3Confident93 Ų93108.2 Ų108.249%0.48753%0.532SS..Hα-helixtrans-68.5-36.7174-177149.6000112.4L298 A304 L306L298-L302 WeakPolarHBondContact O-CB 3.38Å; L298-L302 PolarHBondContact O-N 2.86Å; L302-A304 VanDerWaalsContact C-N 3.34Å; L302-L306 HydrophobicContact CD2-CD1 3.64Å; L302-L306 HydrophobicContact CD2-CG 4.25Å; L302-L306 VanDerWaalsContact O-CB 3.31Å; L302-L306 WeakPolarHBondContact O-CB 3.42Å; L302-L306 VanDerWaalsContact O-CG 3.25Å; L302-L306 WeakPolarHBondContact O-CG 3.18Å; L302-L306 PolarHBondContact O-N 2.88Å
303I77.3Confident73.6Confident101 Ų101104.8 Ų104.852%0.51852%0.523SS..Hα-helixtrans-64.9-40171.1-73.3163000110.6L299 Q300 S307L299-I303 HydrophobicContact CD2-CD1 4.43Å; L299-I303 HydrophobicContact CG-CD1 4.19Å; L299-I303 WeakPolarHBondContact O-CB 3.28Å; L299-I303 WeakPolarHBondContact O-CD1 3.19Å; L299-I303 WeakPolarHBondContact O-CG1 3.45Å; L299-I303 PolarHBondContact O-N 3.49Å; Q300-I303 PolarHBondContact O-N 2.94Å; I303-S307 WeakPolarHBondContact O-CB 3.4Å; I303-S307 PolarHBondContact O-N 3.25Å
304A76.9Confident75.1Confident48 Ų48102.7 Ų102.740%0.39752%0.522SS..Hα-helixtrans-63.6-52.5176.100000111.7Q300 D301 L302 L306 S307 E308Q300-A304 WeakPolarHBondContact O-CB 3.08Å; Q300-A304 PolarHBondContact O-N 3.32Å; D301-A304 WeakPolarHBondContact O-CB 3.39Å; D301-A304 PolarHBondContact O-N 3.36Å; L302-A304 VanDerWaalsContact C-N 3.34Å; A304-L306 PolarHBondContact O-N 2.8Å; A304-S307 CarbonylContact O-C 3.5Å; A304-S307 WeakPolarHBondContact O-CA 3.32Å; A304-S307 WeakPolarHBondContact O-CB 3.26Å; A304-S307 PolarHBondContact O-N 3.45Å; A304-S307 PolarHBondContact O-OG 3.43Å; A304-E308 PolarHBondContact O-N 3.27Å
305D79.3Confident76.7Confident62 Ų6298.3 Ų98.333%0.33252%0.517SS..Hα-helixtrans-58.7-43.1176.2173.534000112.1D301 S307 E308 R309D301-D305 WeakPolarHBondContact O-CB 3.46Å; D301-D305 PolarHBondContact O-N 3.37Å; D305-S307 VanDerWaalsContact C-N 3.32Å; D305-S307 PolarHBondContact O-N 3.34Å; D305-E308 PolarHBondContact O-N 3.48Å; D305-R309 VanDerWaalsContact CG-NE 3.33Å; D305-R309 WeakPolarHBondContact O-CB 3.08Å; D305-R309 VanDerWaalsContact O-CG 3.26Å; D305-R309 WeakPolarHBondContact O-CG 3.27Å; D305-R309 PolarHBondContact O-N 2.95Å; D305-R309 IonicContact OD1-CZ 3.29Å; D305-R309 IonicContact OD1-NE 3.74Å; D305-R309 PolarHBondContact OD1-NE 3.03Å; D305-R309 IonicContact OD1-NH2 2.71Å; D305-R309 PolarHBondContact OD1-NH2 3.02Å; D305-R309 IonicContact OD2-CZ 3.46Å; D305-R309 VanDerWaalsContact OD2-CZ 3.26Å; D305-R309 IonicContact OD2-NE 3.27Å; D305-R309 PolarHBondContact OD2-NE 2.92Å; D305-R309 IonicContact OD2-NH2 2.65Å; D305-R309 PolarHBondContact OD2-NH2 3.18Å
306L82.1Confident78.1Confident87 Ų8799.2 Ų99.246%0.45551%0.513SS..Hα-helixtrans-61.2-39.2171.9-74.9178.7000112.4L302 A304 R309 I310L302-L306 HydrophobicContact CD2-CD1 3.64Å; L302-L306 HydrophobicContact CD2-CG 4.25Å; L302-L306 VanDerWaalsContact O-CB 3.31Å; L302-L306 WeakPolarHBondContact O-CB 3.42Å; L302-L306 VanDerWaalsContact O-CG 3.25Å; L302-L306 WeakPolarHBondContact O-CG 3.18Å; L302-L306 PolarHBondContact O-N 2.88Å; A304-L306 PolarHBondContact O-N 2.8Å; L306-R309 PolarHBondContact O-N 3.34Å; L306-I310 WeakPolarHBondContact O-CB 3.1Å; L306-I310 WeakPolarHBondContact O-CD1 3.41Å; L306-I310 WeakPolarHBondContact O-CG1 3.23Å; L306-I310 PolarHBondContact O-N 3.47Å
307S86.5Confident79.5Confident64 Ų6497.9 Ų97.945%0.44851%0.508SS..Hα-helixtrans-68.4-36176.7810000112.8I303 A304 D305 I310 T311I303-S307 WeakPolarHBondContact O-CB 3.4Å; I303-S307 PolarHBondContact O-N 3.25Å; A304-S307 CarbonylContact O-C 3.5Å; A304-S307 WeakPolarHBondContact O-CA 3.32Å; A304-S307 WeakPolarHBondContact O-CB 3.26Å; A304-S307 PolarHBondContact O-N 3.45Å; A304-S307 PolarHBondContact O-OG 3.43Å; D305-S307 VanDerWaalsContact C-N 3.32Å; D305-S307 PolarHBondContact O-N 3.34Å; S307-I310 PolarHBondContact O-N 2.92Å; S307-T311 WeakPolarHBondContact O-CB 3.36Å; S307-T311 WeakPolarHBondContact O-CG2 3.42Å; S307-T311 PolarHBondContact O-N 3.42Å; S307-T311 PolarHBondContact O-OG1 3.39Å
308E85.7Confident80.5Confident136 Ų13691.7 Ų91.764%0.63649%0.494SS*.Hα-helixtrans-70.3-40.3175.7-169.3172.9176.900111.1A304 D305 T311 S312A304-E308 PolarHBondContact O-N 3.27Å; D305-E308 PolarHBondContact O-N 3.48Å; E308-T311 WeakPolarHBondContact CA-OG1 3.37Å; E308-T311 PolarHBondContact O-N 2.84Å; E308-T311 PolarHBondContact O-OG1 3.04Å; E308-S312 VanDerWaalsContact O-CB 3.24Å; E308-S312 WeakPolarHBondContact O-CB 3.24Å; E308-S312 PolarHBondContact O-N 3.22Å; E308-S312 PolarHBondContact O-OG 2.92Å
309R85.2Confident81.6Confident150 Ų15091.8 Ų91.857%0.56649%0.491SS*.Hα-helixtrans-62.4-44171-69.7176.3-162.9-155.910.2112.3D305 L306 S312 E313D305-R309 VanDerWaalsContact CG-NE 3.33Å; D305-R309 WeakPolarHBondContact O-CB 3.08Å; D305-R309 VanDerWaalsContact O-CG 3.26Å; D305-R309 WeakPolarHBondContact O-CG 3.27Å; D305-R309 PolarHBondContact O-N 2.95Å; D305-R309 IonicContact OD1-CZ 3.29Å; D305-R309 IonicContact OD1-NE 3.74Å; D305-R309 PolarHBondContact OD1-NE 3.03Å; D305-R309 IonicContact OD1-NH2 2.71Å; D305-R309 PolarHBondContact OD1-NH2 3.02Å; D305-R309 IonicContact OD2-CZ 3.46Å; D305-R309 VanDerWaalsContact OD2-CZ 3.26Å; D305-R309 IonicContact OD2-NE 3.27Å; D305-R309 PolarHBondContact OD2-NE 2.92Å; D305-R309 IonicContact OD2-NH2 2.65Å; D305-R309 PolarHBondContact OD2-NH2 3.18Å; L306-R309 PolarHBondContact O-N 3.34Å; R309-S312 WeakPolarHBondContact CA-OG 3.47Å; R309-S312 PolarHBondContact O-OG 3.09Å; R309-S312 VanDerWaalsContact O-OG 3.14Å; R309-E313 VanDerWaalsContact O-CB 3.25Å; R309-E313 WeakPolarHBondContact O-CB 3.47Å; R309-E313 PolarHBondContact O-N 3.27Å
310I85.2Confident82.4Confident112 Ų11295.5 Ų95.557%0.57450%0.498SS*.Hα-helixtrans-64.6-44178.3-72.2164.3000110.9L306 S307 A314L306-I310 WeakPolarHBondContact O-CB 3.1Å; L306-I310 WeakPolarHBondContact O-CD1 3.41Å; L306-I310 WeakPolarHBondContact O-CG1 3.23Å; L306-I310 PolarHBondContact O-N 3.47Å; S307-I310 PolarHBondContact O-N 2.92Å; I310-A314 WeakPolarHBondContact O-CB 3.31Å; I310-A314 PolarHBondContact O-N 2.93Å
311T87.9Confident82.8Confident89 Ų8998.6 Ų98.655%0.54650%0.504SS..Hα-helixtrans-72.4-39.6-179.649.60000112.9S307 E308 A314 S315S307-T311 WeakPolarHBondContact O-CB 3.36Å; S307-T311 WeakPolarHBondContact O-CG2 3.42Å; S307-T311 PolarHBondContact O-N 3.42Å; S307-T311 PolarHBondContact O-OG1 3.39Å; E308-T311 WeakPolarHBondContact CA-OG1 3.37Å; E308-T311 PolarHBondContact O-N 2.84Å; E308-T311 PolarHBondContact O-OG1 3.04Å; T311-A314 PolarHBondContact O-N 3.33Å; T311-S315 WeakPolarHBondContact O-CB 3.42Å; T311-S315 PolarHBondContact O-N 2.82Å
312S86.5Confident83.4Confident60 Ų60103.2 Ų103.242%0.4252%0.515SS..Hα-helixtrans-66.5-42.7173.657.80000112.3E308 R309 A314 S315 V316E308-S312 VanDerWaalsContact O-CB 3.24Å; E308-S312 WeakPolarHBondContact O-CB 3.24Å; E308-S312 PolarHBondContact O-N 3.22Å; E308-S312 PolarHBondContact O-OG 2.92Å; R309-S312 WeakPolarHBondContact CA-OG 3.47Å; R309-S312 PolarHBondContact O-OG 3.09Å; R309-S312 VanDerWaalsContact O-OG 3.14Å; S312-A314 VanDerWaalsContact C-N 3.34Å; S312-A314 PolarHBondContact O-N 2.96Å; S312-S315 WeakPolarHBondContact O-CB 3.26Å; S312-S315 PolarHBondContact O-N 2.8Å; S312-V316 WeakPolarHBondContact O-CG2 3.49Å; S312-V316 PolarHBondContact O-N 3Å
313E84.3Confident83.7Confident103 Ų103101.4 Ų101.448%0.48151%0.51SS..Hα-helixtrans-67.2-35.6175.6-155-161.7-171.300111.7R309 V316 R317R309-E313 VanDerWaalsContact O-CB 3.25Å; R309-E313 WeakPolarHBondContact O-CB 3.47Å; R309-E313 PolarHBondContact O-N 3.27Å; E313-V316 PolarHBondContact O-N 3.23Å; E313-R317 WeakPolarHBondContact O-CG 3.25Å; E313-R317 PolarHBondContact O-N 2.85Å; E313-R317 IonicContact OE1-CZ 3.43Å; E313-R317 IonicContact OE1-NH1 2.75Å; E313-R317 IonicContact OE1-NH2 3.27Å; E313-R317 PolarHBondContact OE1-NH2 3.08Å; E313-R317 IonicContact OE2-CZ 3.26Å; E313-R317 IonicContact OE2-NH1 3.29Å; E313-R317 PolarHBondContact OE2-NH1 3.47Å; E313-R317 IonicContact OE2-NH2 2.66Å; E313-R317 PolarHBondContact OE2-NH2 2.98Å
314A83.3Confident83.8Confident50 Ų50102.9 Ų102.941%0.41351%0.514SS..Hα-helixtrans-63.3-41.1170.300000112.1I310 T311 S312 R317 A318I310-A314 WeakPolarHBondContact O-CB 3.31Å; I310-A314 PolarHBondContact O-N 2.93Å; T311-A314 PolarHBondContact O-N 3.33Å; S312-A314 VanDerWaalsContact C-N 3.34Å; S312-A314 PolarHBondContact O-N 2.96Å; A314-R317 PolarHBondContact O-N 2.84Å; A314-A318 WeakPolarHBondContact O-CB 3.47Å; A314-A318 PolarHBondContact O-N 2.81Å
315S88.3Confident84Confident73 Ų73109.8 Ų109.851%0.5153%0.53SS..Hα-helixtrans-62-46.7175.2-170.90000111.7T311 S312 R317 A318 Q319T311-S315 WeakPolarHBondContact O-CB 3.42Å; T311-S315 PolarHBondContact O-N 2.82Å; S312-S315 WeakPolarHBondContact O-CB 3.26Å; S312-S315 PolarHBondContact O-N 2.8Å; S315-R317 VanDerWaalsContact C-N 3.34Å; S315-R317 PolarHBondContact O-N 3.22Å; S315-A318 CarbonylContact O-C 3.48Å; S315-A318 WeakPolarHBondContact O-CB 3.44Å; S315-A318 PolarHBondContact O-N 3.05Å; S315-A318 VanDerWaalsContact O-N 3.1Å; S315-Q319 PolarHBondContact O-N 3.41Å
316V87.2Confident83.9Confident69 Ų69112.4 Ų112.442%0.41854%0.54SS..Hα-helixtrans-61.7-39.7175.5172.20000111.6S312 E313 Q319 R320S312-V316 WeakPolarHBondContact O-CG2 3.49Å; S312-V316 PolarHBondContact O-N 3Å; E313-V316 PolarHBondContact O-N 3.23Å; V316-Q319 PolarHBondContact O-N 2.91Å; V316-R320 WeakPolarHBondContact O-CG 3.41Å; V316-R320 PolarHBondContact O-N 2.75Å
317R83.7Confident83.8Confident133 Ų133117 Ų11750%0.50255%0.552SS.*Hα-helixtrans-64.2-40.3172.6-73.4-178.7-175106.1-1.2112.2E313 A314 S315 R321E313-R317 WeakPolarHBondContact O-CG 3.25Å; E313-R317 PolarHBondContact O-N 2.85Å; E313-R317 IonicContact OE1-CZ 3.43Å; E313-R317 IonicContact OE1-NH1 2.75Å; E313-R317 IonicContact OE1-NH2 3.27Å; E313-R317 PolarHBondContact OE1-NH2 3.08Å; E313-R317 IonicContact OE2-CZ 3.26Å; E313-R317 IonicContact OE2-NH1 3.29Å; E313-R317 PolarHBondContact OE2-NH1 3.47Å; E313-R317 IonicContact OE2-NH2 2.66Å; E313-R317 PolarHBondContact OE2-NH2 2.98Å; A314-R317 PolarHBondContact O-N 2.84Å; S315-R317 VanDerWaalsContact C-N 3.34Å; S315-R317 PolarHBondContact O-N 3.22Å; R317-R321 WeakPolarHBondContact O-CG 3.46Å; R317-R321 PolarHBondContact O-N 3.38Å
318A84.4Confident83.4Confident46 Ų46117.3 Ų117.338%0.3855%0.551SS.*Hα-helixtrans-66.3-41.1176.200000112.1A314 S315 R321 R322A314-A318 WeakPolarHBondContact O-CB 3.47Å; A314-A318 PolarHBondContact O-N 2.81Å; S315-A318 CarbonylContact O-C 3.48Å; S315-A318 WeakPolarHBondContact O-CB 3.44Å; S315-A318 PolarHBondContact O-N 3.05Å; S315-A318 VanDerWaalsContact O-N 3.1Å; A318-R321 PolarHBondContact O-N 3.41Å; A318-R322 WeakPolarHBondContact O-CG 3.45Å; A318-R322 PolarHBondContact O-N 2.93Å
319Q85.8Confident83Confident128 Ų128117 Ų11760%0.59855%0.55SS*.Hα-helixtrans-62.8-45.7175.3-169.5177.26.600111.4S315 V316 R321 R322 S323S315-Q319 PolarHBondContact O-N 3.41Å; V316-Q319 PolarHBondContact O-N 2.91Å; Q319-R321 VanDerWaalsContact C-N 3.32Å; Q319-R321 PolarHBondContact O-N 2.66Å; Q319-R322 PolarHBondContact O-N 3.27Å; Q319-R322 VanDerWaalsContact O-N 3.14Å; Q319-S323 PolarHBondContact O-N 2.83Å; Q319-S323 PolarHBondContact O-OG 2.87Å
320R85.2Confident82.7Confident187 Ų187114.8 Ų114.871%0.70655%0.549SS*.Hα-helixtrans-57.7-42.9172.9-72.8-176.2-171.8-152.53.4112.2V316 S323 Q324V316-R320 WeakPolarHBondContact O-CG 3.41Å; V316-R320 PolarHBondContact O-N 2.75Å; R320-S323 PolarHBondContact O-N 2.9Å; R320-Q324 WeakPolarHBondContact O-CB 3.41Å; R320-Q324 PolarHBondContact O-N 2.92Å
321R80.4Confident82.3Confident183 Ų183114.8 Ų114.869%0.69155%0.546SS*.Hα-helixtrans-62.9-39175.3-75.6176.6173.4-176.6-2112.5R317 A318 Q319 R325R317-R321 WeakPolarHBondContact O-CG 3.46Å; R317-R321 PolarHBondContact O-N 3.38Å; A318-R321 PolarHBondContact O-N 3.41Å; Q319-R321 VanDerWaalsContact C-N 3.32Å; Q319-R321 PolarHBondContact O-N 2.66Å; R321-R325 WeakPolarHBondContact O-CG 3.37Å; R321-R325 PolarHBondContact O-N 3.43Å
322R82.6Confident81.6Confident193 Ų193115.3 Ų115.373%0.72855%0.545SS*.Hα-helixtrans-64.1-51.5173.6-73.2179.5179.2178.5-0111.5A318 Q319 Q324 R325 Q326A318-R322 WeakPolarHBondContact O-CG 3.45Å; A318-R322 PolarHBondContact O-N 2.93Å; Q319-R322 PolarHBondContact O-N 3.27Å; Q319-R322 VanDerWaalsContact O-N 3.14Å; R322-Q324 VanDerWaalsContact C-N 3.27Å; R322-Q324 PolarHBondContact O-N 3.29Å; R322-R325 PolarHBondContact O-N 2.86Å; R322-Q326 PolarHBondContact O-N 3.28Å
323S80.5Confident81Confident55 Ų55114.8 Ų114.839%0.38555%0.545SS..Hα-helixtrans-63-31.2178.1-56.70000113.2Q319 R320 R327Q319-S323 PolarHBondContact O-N 2.83Å; Q319-S323 PolarHBondContact O-OG 2.87Å; R320-S323 PolarHBondContact O-N 2.9Å; S323-R327 WeakPolarHBondContact O-CG 3.44Å; S323-R327 PolarHBondContact O-N 2.88Å; S323-R327 VanDerWaalsContact O-N 3.11Å
324Q79.1Confident80.3Confident132 Ų132113 Ų11362%0.61754%0.544SS*.Hα-helixtrans-70.7-43.7173.5-173174.83.900111.8R320 R322 R327 V328R320-Q324 WeakPolarHBondContact O-CB 3.41Å; R320-Q324 PolarHBondContact O-N 2.92Å; R322-Q324 VanDerWaalsContact C-N 3.27Å; R322-Q324 PolarHBondContact O-N 3.29Å; Q324-R327 PolarHBondContact O-N 3.29Å; Q324-V328 WeakPolarHBondContact O-CG2 3.4Å; Q324-V328 PolarHBondContact O-N 2.75Å; Q324-V328 VanDerWaalsContact O-N 3.13Å
325R80.4Confident79.3Confident194 Ų194116 Ų11673%0.73255%0.549SS*.Hα-helixtrans-58.4-49172.9-76.7179.5176.5-155.5-3.1111.4R321 R322 R327 V328 E329R321-R325 WeakPolarHBondContact O-CG 3.37Å; R321-R325 PolarHBondContact O-N 3.43Å; R322-R325 PolarHBondContact O-N 2.86Å; R325-R327 VanDerWaalsContact C-N 3.26Å; R325-R327 PolarHBondContact O-N 3.4Å; R325-V328 PolarHBondContact O-N 2.69Å; R325-E329 WeakPolarHBondContact O-CB 3.19Å; R325-E329 PolarHBondContact O-N 3.01Å
326Q78.5Confident77.9Confident116 Ų116115.8 Ų115.854%0.54255%0.547SS..Hα-helixtrans-63.1-29.9-179.8-163.2174.518.200113R322 N330R322-Q326 PolarHBondContact O-N 3.28Å; Q326-N330 VanDerWaalsContact O-CB 3.29Å; Q326-N330 WeakPolarHBondContact O-CB 3.21Å; Q326-N330 PolarHBondContact O-N 3.49Å; Q326-N330 PolarHBondContact O-OD1 2.95Å
327R79.3Confident76.3Confident184 Ų184118.4 Ų118.469%0.69456%0.559SS**Hα-helixtrans-67.9-45.1170.4-77.3174.7-176.5-173.80112.5S323 Q324 R325 N330 Q331S323-R327 WeakPolarHBondContact O-CG 3.44Å; S323-R327 PolarHBondContact O-N 2.88Å; S323-R327 VanDerWaalsContact O-N 3.11Å; Q324-R327 PolarHBondContact O-N 3.29Å; R325-R327 VanDerWaalsContact C-N 3.26Å; R325-R327 PolarHBondContact O-N 3.4Å; R327-N330 PolarHBondContact O-N 2.79Å; R327-Q331 WeakPolarHBondContact O-CB 3.45Å; R327-Q331 VanDerWaalsContact O-CG 3.29Å; R327-Q331 WeakPolarHBondContact O-CG 3.42Å; R327-Q331 PolarHBondContact O-N 2.92Å
328V78.4Confident74.7Confident70 Ų70116.7 Ų116.742%0.42457%0.567SS.*Hα-helixtrans-66.2-39.9177.5174.40000111Q324 R325 Q331 L332Q324-V328 WeakPolarHBondContact O-CG2 3.4Å; Q324-V328 PolarHBondContact O-N 2.75Å; Q324-V328 VanDerWaalsContact O-N 3.13Å; R325-V328 PolarHBondContact O-N 2.69Å; V328-Q331 WeakPolarHBondContact O-CB 3.34Å; V328-Q331 PolarHBondContact O-N 2.92Å; V328-L332 HydrophobicContact CG1-CD1 4Å; V328-L332 HydrophobicContact CG1-CG 4.43Å; V328-L332 WeakPolarHBondContact O-CB 3.4Å; V328-L332 WeakPolarHBondContact O-CG 3.25Å; V328-L332 PolarHBondContact O-N 2.87Å
329E77.5Confident73Confident131 Ų131122.8 Ų122.861%0.61259%0.586SS**Hα-helixtrans-63.8-43.2175.6-169.5167.8-160.900111.5R325 Q331 A333R325-E329 WeakPolarHBondContact O-CB 3.19Å; R325-E329 PolarHBondContact O-N 3.01Å; E329-Q331 PolarHBondContact O-N 2.85Å; E329-A333 VanDerWaalsContact O-CB 3.27Å; E329-A333 WeakPolarHBondContact O-CB 3.32Å; E329-A333 PolarHBondContact O-N 2.99Å
330N79Confident70.8Confident103 Ų103123.2 Ų123.255%0.55159%0.592SS**Hα-helixtrans-65.4-34.7171.8-72.63.8000112.9Q326 R327 S334Q326-N330 VanDerWaalsContact O-CB 3.29Å; Q326-N330 WeakPolarHBondContact O-CB 3.21Å; Q326-N330 PolarHBondContact O-N 3.49Å; Q326-N330 PolarHBondContact O-OD1 2.95Å; R327-N330 PolarHBondContact O-N 2.79Å; N330-S334 WeakPolarHBondContact O-CB 3.4Å; N330-S334 PolarHBondContact O-N 2.94Å; N330-S334 PolarHBondContact O-OG 3.46Å
331Q76.2Confident68.6Low111 Ų111119.6 Ų119.652%0.51960%0.595SS.*Hα-helixtrans-65.3-52.9174.8-77.2172.2-50.500110.7R327 V328 E329 A333 S334 E335R327-Q331 WeakPolarHBondContact O-CB 3.45Å; R327-Q331 VanDerWaalsContact O-CG 3.29Å; R327-Q331 WeakPolarHBondContact O-CG 3.42Å; R327-Q331 PolarHBondContact O-N 2.92Å; V328-Q331 WeakPolarHBondContact O-CB 3.34Å; V328-Q331 PolarHBondContact O-N 2.92Å; E329-Q331 PolarHBondContact O-N 2.85Å; Q331-A333 VanDerWaalsContact C-N 3.28Å; Q331-A333 PolarHBondContact O-N 3.47Å; Q331-S334 PolarHBondContact O-N 3.15Å; Q331-S334 PolarHBondContact O-OG 2.87Å; Q331-E335 WeakPolarHBondContact O-CG 3.42Å; Q331-E335 PolarHBondContact O-N 3.44Å
332L74Confident66.7Low101 Ų101116.4 Ų116.453%0.52960%0.601SS.*Hα-helixtrans-58.4-38.4175.4-68.6168.6000112.1V328 E335 S336V328-L332 HydrophobicContact CG1-CD1 4Å; V328-L332 HydrophobicContact CG1-CG 4.43Å; V328-L332 WeakPolarHBondContact O-CB 3.4Å; V328-L332 WeakPolarHBondContact O-CG 3.25Å; V328-L332 PolarHBondContact O-N 2.87Å; L332-E335 PolarHBondContact O-N 2.94Å; L332-S336 WeakPolarHBondContact O-CB 3.49Å; L332-S336 PolarHBondContact O-N 2.88Å; L332-S336 PolarHBondContact O-OG 3.33Å
333A73.5Confident64.4Low49 Ų49110.3 Ų110.341%0.40560%0.599SS.*Hα-helixtrans-62.6-46.217300000111.6E329 Q331 E335 S336 N337E329-A333 VanDerWaalsContact O-CB 3.27Å; E329-A333 WeakPolarHBondContact O-CB 3.32Å; E329-A333 PolarHBondContact O-N 2.99Å; Q331-A333 VanDerWaalsContact C-N 3.28Å; Q331-A333 PolarHBondContact O-N 3.47Å; A333-E335 PolarHBondContact O-N 2.91Å; A333-S336 PolarHBondContact O-N 3.18Å; A333-S336 PolarHBondContact O-OG 3.05Å; A333-N337 PolarHBondContact O-N 3.46Å
334S68.8Low62.4Low66 Ų66114.1 Ų114.146%0.46262%0.622SS.*Hα-helixtrans-65-36.1177.268.60000113.1N330 Q331 S338N330-S334 WeakPolarHBondContact O-CB 3.4Å; N330-S334 PolarHBondContact O-N 2.94Å; N330-S334 PolarHBondContact O-OG 3.46Å; Q331-S334 PolarHBondContact O-N 3.15Å; Q331-S334 PolarHBondContact O-OG 2.87Å; S334-S338 WeakPolarHBondContact O-CB 3.5Å; S334-S338 PolarHBondContact O-N 3.46Å; S334-S338 PolarHBondContact O-OG 2.64Å
335E61.5Low60.4Low112 Ų112114.5 Ų114.552%0.52363%0.633SS.*Hα-helixtrans-64.3-47.6171.8-71.1167.3-173.100110.5Q331 L332 A333 N337 S338 F339Q331-E335 WeakPolarHBondContact O-CG 3.42Å; Q331-E335 PolarHBondContact O-N 3.44Å; L332-E335 PolarHBondContact O-N 2.94Å; A333-E335 PolarHBondContact O-N 2.91Å; E335-N337 VanDerWaalsContact C-N 3.35Å; E335-N337 PolarHBondContact O-N 3.26Å; E335-S338 WeakPolarHBondContact O-CB 3.33Å; E335-S338 PolarHBondContact O-N 2.7Å; E335-F339 WeakPolarHBondContact O-CD2 3.5Å; E335-F339 PolarHBondContact O-N 3.02Å
336S59.1Low58.2Low68 Ų68114.3 Ų114.348%0.47664%0.641SS.*Hα-helixtrans-63.5-34.7178.873.40000113.8L332 A333 N340L332-S336 WeakPolarHBondContact O-CB 3.49Å; L332-S336 PolarHBondContact O-N 2.88Å; L332-S336 PolarHBondContact O-OG 3.33Å; A333-S336 PolarHBondContact O-N 3.18Å; A333-S336 PolarHBondContact O-OG 3.05Å; S336-N340 PolarHBondContact O-ND2 3.13Å
337N54Low56.2Low124 Ų124114.2 Ų114.266%0.66365%0.652SS**Hα-helixtrans-72.3-27.6171.6-99.6-0.3000112.8A333 E335 F339 N340A333-N337 PolarHBondContact O-N 3.46Å; E335-N337 VanDerWaalsContact C-N 3.35Å; E335-N337 PolarHBondContact O-N 3.26Å; N337-F339 VanDerWaalsContact C-N 3.26Å; N337-F339 PolarHBondContact O-N 3.31Å; N337-N340 PolarHBondContact O-N 2.88Å
338S50.6Low54Low97 Ų97114.4 Ų114.468%0.67866%0.661SS**Hα-helixtrans-73.1-16.6177.9-58.20000113.4S334 E335S334-S338 WeakPolarHBondContact O-CB 3.5Å; S334-S338 PolarHBondContact O-N 3.46Å; S334-S338 PolarHBondContact O-OG 2.64Å; E335-S338 WeakPolarHBondContact O-CB 3.33Å; E335-S338 PolarHBondContact O-N 2.7Å
339F47.8Very low51.9Low175 Ų175117.6 Ų117.677%0.76868%0.681SS**THydrogen-bonded Turntrans-89.7-6177-88-79.8000114.8E335 N337E335-F339 WeakPolarHBondContact O-CD2 3.5Å; E335-F339 PolarHBondContact O-N 3.02Å; N337-F339 VanDerWaalsContact C-N 3.26Å; N337-F339 PolarHBondContact O-N 3.31Å
340N40.9Very low49.6Very low136 Ų136117 Ų11773%0.72769%0.687SS**SBendtrans-101.940.4-176.4-74.8-35.5000113.6S336 N337S336-N340 PolarHBondContact O-ND2 3.13Å; N337-N340 PolarHBondContact O-N 2.88Å
341S39.4Very low47.5Very low111 Ų111119.4 Ų119.478%0.77670%0.698SS**  trans-151.147.5-177.3-169.60000116
342S40Very low45.3Very low116 Ų116118.7 Ų118.781%0.81170%0.704SS**  trans-146.3131.7162.955.30000112.7
343G33.9Very low43.6Very low66 Ų66121.4 Ų121.468%0.6872%0.718SS**  trans-79.9168.7177.500000113.5
344P38.4Very low41.6Very low134 Ų134126.1 Ų126.187%0.8773%0.732SS**  trans-91.2126.4-164.733.7-33.9000114.1
345T36.8Very low39.8Very low140 Ų140131.2 Ų131.286%0.85975%0.752SS**  trans-138.5133.4164.150.10000112.9
346H33.6Very low38.5Very low191 Ų191130.2 Ų130.288%0.88476%0.758SS**  trans-46.4131.7173.3-119.4-121.8000114.7
347S38.1Very low37.4Very low113 Ų113132.6 Ų132.679%0.7977%0.774SS**  177.5154.6122.540.20000111.3
348Q31.5Very low36.6Very low188 Ų188131.7 Ų131.788%0.87978%0.777SS**  trans-105.7132179.8-65.7170.4-13.300109.8
349T34.4Very low35.9Very low137 Ų137132.8 Ų132.884%0.8478%0.78SS**  trans-152.7113157.6-23.20000110.2
350T30.1Very low35.5Very low120 Ų120129.2 Ų129.274%0.73678%0.777SS**  trans-85.6136.4179.3-53.70000110.2C352T350-C352 VanDerWaalsContact CG2-SG 3.6Å
351I35.7Very low35.3Very low153 Ų153131.3 Ų131.379%0.78578%0.783SS**  trans-127.9121.6162.5-59.7-179.7000107.6L353I351-L353 HydrophobicContact CG2-CD1 4.47Å
352C30Very low34.8Very low95 Ų95131.9 Ų131.964%0.64278%0.784SS**  trans-112.6142177.6-67.20000110.4T350T350-C352 VanDerWaalsContact CG2-SG 3.6Å
353L36.7Very low34.7Very low158 Ų158132.8 Ų132.883%0.82778%0.784SS**  trans-130.9104148.6-72.392.1000105.6I351I351-L353 HydrophobicContact CG2-CD1 4.47Å
354E31.8Very low34.7Very low148 Ų148135.1 Ų135.169%0.69279%0.79SS**  68.286.979.9-72.7-61150.400112.6S356E354-S356 PolarHBondContact OE2-OG 2.84Å; E354-S356 VanDerWaalsContact OE2-OG 3.08Å
355I31.2Very low34.4Very low174 Ų174135.3 Ų135.389%0.89278%0.782SS**  trans-118.393.9156.8-59.3178000106.2S357I355-S357 PolarHBondContact O-N 3.07Å
356S35.6Very low34.4Very low91 Ų91140.4 Ų140.464%0.63679%0.786SS**  trans-87109.8-175.3-27.50000110.3E354E354-S356 PolarHBondContact OE2-OG 2.84Å; E354-S356 VanDerWaalsContact OE2-OG 3.08Å
357S36Very low34.4Very low117 Ų117139.3 Ų139.382%0.81879%0.785SS**  trans178.4132.3143.9-98.60000112.7I355I355-S357 PolarHBondContact O-N 3.07Å
358S36.8Very low33.9Very low105 Ų105137.4 Ų137.473%0.73478%0.784SS**  trans-40.1152.1169.8510000115.7
359T36.3Very low34.2Very low121 Ų121140.2 Ų140.274%0.74279%0.786SS**  cis-160146.233.3-26.30000113
360S38.1Very low34.5Very low100 Ų100139 Ų13970%0.69978%0.781SS**  trans33.5126.3147.862.30000120.9
361Q36Very low35Very low180 Ų180138.8 Ų138.884%0.84178%0.781SS**  cis-146.9156.52.9-59.4-172.7-12.700110.5
362P30.9Very low34.9Very low123 Ų123136.8 Ų136.880%0.79978%0.781SS**  trans-91.8147.6175.235.7-33000113.3
363V35.9Very low35Very low135 Ų135142.9 Ų142.982%0.81879%0.792SS**  trans-122.6115164.2177.30000109.4I365V363-I365 HydrophobicContact CG1-CD1 4.44Å; V363-I365 HydrophobicContact CG1-CG1 4.28Å
364S34Very low34.8Very low115 Ų115139 Ų13980%0.80478%0.778SS**  trans-108.3128175.657.30000110.6
365I34Very low34.8Very low138 Ų138138.8 Ų138.871%0.70878%0.782SS**  trans-130.8118.6171.2-60.2-179000109.3V363 L367V363-I365 HydrophobicContact CG1-CD1 4.44Å; V363-I365 HydrophobicContact CG1-CG1 4.28Å; I365-L367 HydrophobicContact CG2-CD1 4.41Å; I365-L367 HydrophobicContact CG2-CG 4.17Å
366R35.4Very low34.9Very low247 Ų247134.3 Ų134.393%0.93277%0.766SS**  trans-90.7127.9166-74.1-177.6176.5-177.7-0109.5
367L33.2Very low34.9Very low168 Ų168137.6 Ų137.688%0.8877%0.771SS**  trans-145.3143.7158.4-63.1172.7000106.7I365I365-L367 HydrophobicContact CG2-CD1 4.41Å; I365-L367 HydrophobicContact CG2-CG 4.17Å
368G28.5Very low34.8Very low73 Ų73138.8 Ų138.875%0.75376%0.763SS**  cis156.891.6-2.800000111.1
369R37.4Very low34.5Very low246 Ų246142.7 Ų142.793%0.92876%0.762SS**  trans-74.7147.1161-152.9177.5-173.5-142.22.7106.5
370P41.5Very low34.6Very low112 Ų112141.4 Ų141.473%0.72776%0.758SS**  cis-133.4-146.52841.3-18000110.2
371P40Very low34.6Very low115 Ų115143.5 Ų143.575%0.74776%0.757SS**  cis-133.5168.8-5.441.3-23.5000117.4
372S34.5Very low34.4Very low111 Ų111142.5 Ų142.578%0.77676%0.755SS**  trans-76141.4156.750.20000111.1
373Y32.2Very low34.5Very low223 Ų223144 Ų14488%0.87575%0.751SS**  trans-136162.1152.8-144.8-98.1000110.6
374S31.5Very low34.2Very low76 Ų76143.1 Ų143.153%0.53174%0.742SS.*  trans-123-177.1-158.954.70000113.1
375N31.1Very low34Very low145 Ų145142.9 Ų142.978%0.77574%0.736SS**  trans77.8144.2166.9-65.3-0.7000116.6
376S33.8Very low33.7Very low79 Ų79147.4 Ų147.455%0.55274%0.744SS**  cis-176162.6-12.947.60000111.5
377H35.3Very low33.5Very low160 Ų160140.1 Ų140.174%0.74173%0.731SS**  trans69150.4160.8-59.3-60.7000116.9
378H33.9Very low33.5Very low142 Ų142138.2 Ų138.266%0.65772%0.721SS**  cis-146.2137.1-7-133.8-69.5000111.7
379R31.6Very low33.5Very low187 Ų187143.9 Ų143.971%0.70673%0.726SS**  trans12.2133.4140.2-150.8-160.3-179.5175.70116.5
380S37.9Very low33.2Very low95 Ų95138.5 Ų138.566%0.66472%0.715SS**  -166.513356.4-49.80000110
381Q37.5Very low32.7Very low144 Ų144139.7 Ų139.767%0.67371%0.711SS**  88.6135.968.5-145.6-176.91.800113
382I32.3Very low32.2Very low158 Ų158141.7 Ų141.781%0.8171%0.71SS**  trans73.3143.6169.7-64156.7000115.7
383H32.5Very low32Very low154 Ų154142.5 Ų142.571%0.71371%0.71SS**  cis-171.2154.2-26.2-174.3-131.7000109.6
384N29.4Very low32.1Very low118 Ų118137.6 Ų137.663%0.63171%0.709SS**  trans64.3128.5154.9-979.1000124.2
385V30.4Very low32.1Very low110 Ų110140.5 Ų140.567%0.66772%0.718SS**  69.4109.8123.8177.10000121.3
386R27.9Very low32.2Very low233 Ų233140 Ų14088%0.87972%0.716SS**  trans56.1139.6137.6-71.2-178.7167.4159-4.8123.1
387S30.5Very low32.2Very low94 Ų94141.9 Ų141.966%0.65772%0.72SS**  trans92.9148.214386.10000119.9
388D34.3Very low31.9Very low128 Ų128141.9 Ų141.968%0.68472%0.72SS**  trans67.5117.2159-46.8-41.5000117.7
389F28.9Very low31.9Very low192 Ų192140.7 Ų140.784%0.84273%0.728SS**  71.776.170.6-85.3-73.1000114
390N30.2Very low32Very low133 Ų133139.7 Ų139.771%0.71173%0.731SS**  -177.5140.2122.2-97.313.4000108.9
391E30.6Very low32.1Very low136 Ų136140.2 Ų140.264%0.63673%0.732SS**  95.7148.455.6-152.3-153.7120.300111
392Q30.8Very low31.9Very low157 Ų157137.2 Ų137.273%0.73473%0.727SS**  trans69.1102175.1-48.2-170.66.200114.8
393V30.6Very low31.8Very low128 Ų128139.3 Ų139.378%0.77672%0.724SS**  74.1113.668174.90000112.9
394S33.8Very low31.8Very low121 Ų121140.2 Ų140.285%0.84673%0.726SS**  trans-166.5119.9147.6-80.40000109.3
395D31.2Very low31.9Very low137 Ų137144.7 Ų144.773%0.73374%0.735SS**  trans-72.1158.5168.6-64.3-82.3000111.2
396N33Very low31.9Very low134 Ų134145 Ų14572%0.71773%0.731SS**  173.8153.1108.9-99.2-70.1000114.4
397N32.9Very low32.1Very low119 Ų119144.1 Ų144.164%0.63673%0.728SS**  trans64.1152.2146.9-67.6-20.3000120.1
398Q30.4Very low32.3Very low160 Ų160146.2 Ų146.275%0.74873%0.731SS**  cis-172.8178.9-32.2-119.7-176.664.600106.9
399S33.3Very low32.2Very low117 Ų117148.1 Ų148.182%0.81874%0.74SS**  trans72.9126.1158.769.80000121.3
400E34.6Very low32.5Very low166 Ų166143.6 Ų143.678%0.77673%0.732SS**  trans-68.1173148.1-128-146.3-128.600109.4S402E400-S402 PolarHBondContact OE2-N 3.29Å
401P39.8Very low32.8Very low106 Ų106142.3 Ų142.369%0.68873%0.733SS**  cis-157.3-179.64542.7-19000120.9
402S32.1Very low33.2Very low80 Ų80140.2 Ų140.256%0.55973%0.734SS**  trans71.4122.8136.2-87.80000125.2E400E400-S402 PolarHBondContact OE2-N 3.29Å
403R30.2Very low33.6Very low202 Ų202139.3 Ų139.376%0.76273%0.734SS**  86.3125122.2-73.9172.2166.5-163-3.4123.4
404K33.8Very low34Very low173 Ų173137.5 Ų137.575%0.75273%0.727SS**  trans75.5153.5146.4-63.3163.5-173.2179.40115.8
405R30.3Very low34.4Very low213 Ų213139 Ų13980%0.80473%0.726SS**  cis-149.7140.47.4-123.4168.1165177.8-5.2107.8
406L30.4Very low34.9Very low115 Ų115137.1 Ų137.160%0.60272%0.724SS**  46.5138.5103.8-73.3165.2000116.4I408L406-I408 HydrophobicContact CD2-CD1 3.49Å; L406-I408 VanDerWaalsContact CD2-CD1 3.49Å; L406-I408 HydrophobicContact CD2-CG1 4.23Å
407R33.3Very low35.3Very low216 Ų216137.8 Ų137.882%0.81573%0.727SS**  cis-139.2147.517.1-70.1-168149.9112.2-4.2110.6
408I33.1Very low36Very low138 Ų138138.2 Ų138.271%0.70873%0.729SS**  cis76.8116.747.3-62.6-176.8000114.3L406L406-I408 HydrophobicContact CD2-CD1 3.49Å; L406-I408 VanDerWaalsContact CD2-CD1 3.49Å; L406-I408 HydrophobicContact CD2-CG1 4.23Å
409L34Very low36.5Very low167 Ų167138.4 Ų138.487%0.87473%0.73SS**  trans-159.3-158.1157.6-107.8-177.8000110.1
410S33.7Very low36.8Very low97 Ų97141.1 Ų141.168%0.67874%0.735SS**  trans-128.5177.3-146.8-50.40000114.2
411S37Very low36.8Very low106 Ų106136.6 Ų136.674%0.74173%0.734SS**  cis-151.6137.221.4-36.30000110.1
412S38.6Very low36.7Very low93 Ų93138.8 Ų138.865%0.6575%0.745SS**  94146.575.2-68.80000113.5
413D39Very low36.8Very low137 Ų137142 Ų14273%0.73375%0.754SS**  cis-175.1161.3-14.7-100.8-46.2000107.1
414S40.4Very low37.1Very low90 Ų90140.8 Ų140.863%0.62976%0.762SS**  cis-161.6-143.3-19.1-119.90000108.1
415D42Very low37.4Very low153 Ų153141.7 Ų141.782%0.81877%0.766SS**  trans72.3145.7163.7-59.2-23.8000119.4
416S41.8Very low37.6Very low98 Ų98141.4 Ų141.469%0.68577%0.77SS**  cis174.7158.6-33.751.60000106.6
417D40.6Very low38Very low147 Ų147142.5 Ų142.579%0.78678%0.782SS**  cis-156.4-166.1-13.6-129-50.9000110.4
418D47.2Very low38Very low129 Ų129141.4 Ų141.469%0.6978%0.783SS**  trans78.779.9157.5-75.1-31.9000122.3
419Q40.7Very low38.3Very low164 Ų164143.4 Ų143.477%0.76679%0.794SS**  37.2113.1118.8-59.2-172.781.300121.7
420N40.8Very low38.4Very low173 Ų173141.7 Ų141.793%0.92579%0.791SS**  -170.2149.6113.1-101.7-63.2000109.9
421G33.6Very low38.3Very low72 Ų72140.8 Ų140.874%0.74280%0.797SS**  trans-159.4163.2-172.500000117.2
422V38.5Very low38.3Very low152 Ų152145.2 Ų145.292%0.92181%0.805SS**  trans-135.2138.4169.9178.90000108.3
423I32.9Very low38Very low147 Ų147152.1 Ų152.175%0.75482%0.817SS**  trans-110.4126.8-167.2-62170.9000111.2K425I423-K425 HydrophobicContact CG2-CG 4.4Å
424L37.6Very low38Very low176 Ų176150.9 Ų150.992%0.92182%0.819SS**  trans-102115.6165.3-101.8163000110.3
425K39.9Very low37.7Very low193 Ų193157.5 Ų157.584%0.83983%0.83SS**PPolyproline II helixtrans-77.5131.3-173.4-64.5176.5-178.8173.70111.5I423I423-K425 HydrophobicContact CG2-CG 4.4Å
426K34Very low37.2Very low206 Ų206157.3 Ų157.390%0.89683%0.829SS**PPolyproline II helixtrans-89.8119.1164.3-70.8179.2179174.70109.7
427T38.8Very low36.8Very low138 Ų138160 Ų16085%0.84784%0.835SS**PPolyproline II helixtrans-81.7141.2165.1430000110.3
428K34.9Very low36.4Very low193 Ų193163.4 Ų163.484%0.83984%0.837SS**PPolyproline II helixtrans-92.6143.1169.1-69.2175.2178.8174.10108.6
429L37.5Very low35.8Very low180 Ų180162.8 Ų162.894%0.94284%0.842SS**  trans-114.2113.8156.4-72.5175.6000108.5
430T36.7Very low35.8Very low131 Ų131161.1 Ų161.180%0.80485%0.846SS**PPolyproline II helixtrans-86.2128.3168.541.50000108.7
431G31.6Very low35.5Very low78 Ų78157.9 Ų157.980%0.80484%0.837SS**PPolyproline II helixtrans-88.5164.4-172.600000114.8
432H37.3Very low35.5Very low199 Ų199163.2 Ų163.292%0.92184%0.842SS**PPolyproline II helixtrans-88.5149.8164.5-102.8-100.8000111.8
433R31.3Very low35.2Very low239 Ų239161.3 Ų161.390%0.90284%0.836SS**  trans-131.8124.3175.1-104.2-174.3164.8-160.7-2.8110.2
434S39Very low35.4Very low111 Ų111162.6 Ų162.678%0.77684%0.838SS**  trans-138.8121.3147.7-77.50000105.4
435R35Very low35.3Very low228 Ų228160 Ų16086%0.8683%0.829SS**  55.7130.180.1-69.7-165.8-174-155.16.2112.2
436L31.3Very low35Very low149 Ų149158.6 Ų158.678%0.7883%0.826SS**  cis-174.4178.4-20.4-123.9175.3000106.1
437L33.2Very low35.1Very low155 Ų155156.9 Ų156.981%0.81282%0.821SS**  trans72.9157.2173.7-48.7172.3000116
438R33.3Very low34.9Very low219 Ų219159.6 Ų159.683%0.82682%0.822SS**  cis-173.4117.1-35.9172.2175.9177.1-179-2.4106P440R438-P440 WeakPolarHBondContact O-CD 3.38Å
439S33.2Very low35.2Very low116 Ų116156.2 Ų156.281%0.81182%0.819SS**  trans-72.3139.4174.9-40.30000111.8
440P41.8Very low34.9Very low129 Ų129153.4 Ų153.484%0.83881%0.81SS**  trans-108168.4153.1517.7000111R438R438-P440 WeakPolarHBondContact O-CD 3.38Å
441S34.8Very low35Very low105 Ų105155.7 Ų155.773%0.73482%0.816SS**  trans-125.6137.8-175.150.90000111.7
442E32.1Very low35.3Very low183 Ų183156.9 Ų156.986%0.85582%0.818SS**  trans48.8146148.7-57.4-168.4126.800122.6
443S33Very low35Very low113 Ų113150.8 Ų150.879%0.7981%0.809SS**  trans81.7156.5156.266.40000120.1
444E36.1Very low35.5Very low173 Ų173146 Ų14681%0.80881%0.809SS**  trans68104.5177-56.8-176.9160.400114.9
445V36.3Very low35.2Very low121 Ų121146.4 Ų146.473%0.73381%0.812SS**  cis87.612846.5-52.50000115.1
446E34.5Very low35.4Very low164 Ų164141.2 Ų141.277%0.76681%0.811SS**  trans58.6157.6178-45.3-43.913600116.5
447E34.8Very low35.8Very low170 Ų170138.5 Ų138.579%0.79480%0.804SS**  cis-147.5166.9-11.2-140177.9152.800109.1
448F34.8Very low36.2Very low195 Ų195138.9 Ų138.986%0.85580%0.801SS**  trans-85.5148.2170.9-93.4-90.5000112
449P41.6Very low36.4Very low122 Ų122134.9 Ų134.979%0.79280%0.796SS**  trans-131143.5140.214.95.9000113.8
450V31.4Very low37Very low122 Ų122134 Ų13474%0.73979%0.79SS**  trans-110.9129.5169.9173.90000108.9
451L38.4Very low36.8Very low179 Ų179135.5 Ų135.594%0.93779%0.791SS**  trans-140.6159.7164.4-75.5-179.5000110.3
452A37.2Very low37Very low102 Ų102134.1 Ų134.184%0.84379%0.793SS**  trans-147.8162.7-155.400000115.5
453G31.7Very low37.4Very low72 Ų72131 Ų13174%0.74279%0.786SS**  trans84.8174.8166.500000115.8
454P42.6Very low37.8Very low139 Ų139133.4 Ų133.490%0.90379%0.785SS**  cis-118.6-158.47.741.9-29.2000114.2
455S33Very low38Very low119 Ų119132.6 Ų132.683%0.83278%0.782SS**  trans-133.2154.1-161.355.10000115.9
456S38.7Very low38.3Very low119 Ų119129.5 Ų129.583%0.83277%0.774SS**  trans-167.9175.9163.955.50000110.2
457S39.5Very low38.7Very low91 Ų91128.8 Ų128.864%0.63678%0.775SS**  -157.9173.2-71.450.20000109.8
458H41.8Very low39Very low164 Ų164126.6 Ų126.676%0.75977%0.774SS**  trans76.9149.4177.7-55.6-63.3000117.7
459D38.2Very low39.2Very low135 Ų135121.3 Ų121.372%0.72277%0.766SS**  cis-167.3171.7-35.6-119.1-49.2000111.9
460S45.6Very low39.3Very low96 Ų96122 Ų12267%0.67176%0.762SS**  trans91.699.9161.6-49.10000121.1
461N37.7Very low39.7Very low161 Ų161123.7 Ų123.786%0.86176%0.762SS**  33.7126125.3-47.9-41.4000119.6
462G37.4Very low39.5Very low76 Ų76121.3 Ų121.378%0.78476%0.755SS**  cis176.9-133.86.400000108.8
463V41Very low39.5Very low117 Ų117122.5 Ų122.571%0.70976%0.757SS**  cis-160.2126.9-4.5175.90000107.9
464Q42.5Very low39.6Very low165 Ų165123.5 Ų123.577%0.77176%0.758SS**  trans57.4147.8168.8-65.2-179.7-69.300118.9
465E40.4Very low39.3Very low156 Ų156123.8 Ų123.873%0.72976%0.757SS**  cis-165.2170.7-19.3-114.1179.5-97.700106.8
466G41.7Very low39.2Very low56 Ų56122.9 Ų122.958%0.57775%0.751SS**  cis168.5158-0.800000111
467N43Very low39.1Very low148 Ų148126.9 Ų126.979%0.79175%0.754SS**  trans67.6142.1173.4-56.1-37.3000117.4
468T40Very low38.8Very low125 Ų125129.9 Ų129.977%0.76776%0.763SS**  cis-154.1144.315.8-17.10000112.6
469A40.6Very low38.6Very low84 Ų84131.3 Ų131.369%0.69477%0.77SS**  trans44.7145.8136.600000123.1
470I42.9Very low38.4Very low136 Ų136132.6 Ų132.670%0.69778%0.777SS**  cis-160.1148.4-2.2-117.1166.2000111
471Q40.5Very low38Very low158 Ų158132.1 Ų132.174%0.73878%0.778SS**  trans32.3130.6155.9-57.91624.600120.7
472T34.3Very low38Very low128 Ų128135 Ų13579%0.78578%0.777SS**  cis66.6109.241.8730000117.7
473S37.6Very low38.1Very low127 Ų127141.6 Ų141.689%0.88878%0.779SS**  -172.1154.7122.350.90000110.8
474A32.5Very low37.9Very low93 Ų93143.5 Ų143.577%0.76979%0.785SS**  trans-138151.6176.200000110.5
475T36Very low37.4Very low145 Ų145147 Ų14789%0.8979%0.791SS**  trans-162.5145.2160.31.80000110.3
476S32Very low37.2Very low100 Ų100145.9 Ų145.970%0.69980%0.795SS**  trans-106.3144.7176.853.60000110.7
477F35.8Very low36.9Very low203 Ų203150.6 Ų150.689%0.8981%0.806SS**  trans-149.1143.2151.1-90.4-71.2000110.9
478N33.2Very low36.5Very low155 Ų155152.1 Ų152.183%0.82981%0.808SS**  trans-89.9151.5167.5-66-24.3000109.4
479E37.6Very low36.4Very low194 Ų194150.8 Ų150.891%0.90780%0.804SS**  -169.7162.1116.2-106.5-164.1146.700111.8
480D34.5Very low36.4Very low161 Ų161152.1 Ų152.186%0.86181%0.809SS**  trans-79.9154.4179.5-72.6-80.9000113.3
481A37.8Very low36.1Very low86 Ų86153.4 Ų153.471%0.71181%0.811SS**  162.1155.4115.200000116.1
482R37.5Very low36Very low222 Ų222152 Ų15284%0.83881%0.806SS**  trans64.798.2150.2-75.5174.8-179.5-138.32.4121.3
483R39.1Very low36Very low215 Ų215153.6 Ų153.681%0.81181%0.81SS**  60.1130.1108.8-74.2-177.9-178.8168.31.3121.9
484N36.2Very low36Very low156 Ų156152 Ų15283%0.83480%0.799SS**  trans99.2158.6141-67.73.5000119.8
485R31.7Very low36.1Very low239 Ų239155.5 Ų155.590%0.90280%0.803SS**  trans-115.9146.8-162.3-55.3169.4174.4171.6-4.2112.5
486T35.9Very low36.1Very low133 Ų133156.3 Ų156.382%0.81680%0.796SS**  trans-165.1122.1146.813.70000105.6
487L35.9Very low36.3Very low155 Ų155158 Ų15881%0.81280%0.796SS**  86.814063.2-102.8166000113.9
488E35.3Very low36.2Very low179 Ų179156.8 Ų156.884%0.83679%0.79SS**  trans71149.6169.5-61-173144.800118.6
489S38.5Very low36.4Very low97 Ų97154.6 Ų154.668%0.67879%0.787SS**  cis-164.7167.8-25.162.60000112.4
490S40.2Very low36.5Very low113 Ų113152.9 Ų152.979%0.7978%0.784SS**  trans70.7154.7165.284.60000117.6
491H36.7Very low36.6Very low162 Ų162149.9 Ų149.975%0.7578%0.776SS**  cis-144172.8-1.1-162.6-106.6000112.6
492M38.1Very low36.6Very low128 Ų128153.6 Ų153.663%0.63178%0.778SS**  trans-47.9162.1-175.2-58.9-60.815400116.4
493D34.8Very low36.4Very low162 Ų162148.6 Ų148.687%0.86677%0.773SS**  -136.3162.552.5-82.8-43.6000118.6
494S35.9Very low36.2Very low93 Ų93142.9 Ų142.965%0.6577%0.766SS**  trans-134.4155.9-172.6-69.70000113.1
495I35.7Very low36.1Very low167 Ų167142.3 Ų142.386%0.85676%0.763SS**  trans179.2107.3160.9-93.4145.6000103.8
496H34.8Very low36.1Very low162 Ų162139.3 Ų139.375%0.7576%0.756SS**  cis68.2113.536.6-133.3-1.1000110.6
497I36Very low36.1Very low136 Ų136138.5 Ų138.570%0.69775%0.747SS**  -171.3144.675.2-100.3161.1000112.1
498K35.6Very low36.2Very low178 Ų178137.5 Ų137.577%0.77474%0.738SS**  trans41.1138.7153.3-62.9176.7-176.6-178.20123.6
499S35.6Very low36.3Very low108 Ų108134.7 Ų134.776%0.75573%0.734SS**  trans-76.3155149.951.50000112.5
500D41.7Very low36.2Very low159 Ų159135 Ų13585%0.8572%0.723SS**  trans-143.8167155.1-86.2-50.4000109.9
501S35.9Very low36.2Very low98 Ų98135.6 Ų135.669%0.68572%0.721SS**  trans-116.5-178.4-160.659.90000115.2
502E37Very low36.6Very low163 Ų163132.8 Ų132.876%0.76272%0.718SS**  trans73.1109.2152.4-73.9175.1-155.600122.7
503T33.2Very low36.6Very low117 Ų117133.4 Ų133.472%0.71873%0.729SS**  70123.3129.264.40000123.7
504S34.7Very low36.8Very low95 Ų95130.4 Ų130.466%0.66472%0.716SS**  trans81.7142.3137.485.90000120.9
505N35.1Very low37Very low144 Ų144135 Ų13577%0.7772%0.724SS**  trans64159.4152-65-37.6000119.1
506F30.7Very low37.1Very low176 Ų176133.9 Ų133.977%0.77272%0.72SS**  cis-159.1156.5-37.2-164.3-103000109.4
507D36.7Very low37.4Very low117 Ų117131.3 Ų131.363%0.62672%0.717SS**  trans68.9170.1164.8-116.5-31.6000123.3
508E38.5Very low37.7Very low133 Ų133132 Ų13262%0.62172%0.718SS**  trans-78.2166-176.1-52.7-174.681.300115.6K535E508-K535 IonicContact OE1-NZ 3.24Å
509T36.9Very low37.9Very low121 Ų121131.5 Ų131.574%0.74272%0.716SS**  172.6133.1111.1-75.60000116
510F36.1Very low38.1Very low103 Ų103135.1 Ų135.145%0.45272%0.718SS.*  trans6.6154.9146.8-72.3-106.6000122K535F510-K535 VanDerWaalsContact CD2-NZ 3.33Å; F510-K535 HydrophobicContact CE1-CB 4.42Å; F510-K535 HydrophobicContact CE1-CD 3.9Å; F510-K535 HydrophobicContact CE2-CD 4.09Å; F510-K535 VanDerWaalsContact CE2-CE 3.4Å; F510-K535 HydrophobicContact CZ-CB 3.74Å; F510-K535 HydrophobicContact CZ-CD 3.51Å; F510-K535 HydrophobicContact CZ-CG 4.23Å
511V40.8Very low38.1Very low125 Ų125132.3 Ų132.376%0.75871%0.71SS**  cis-172.5179.4-10.690.60000108.8
512P44.6Very low38.3Very low104 Ų104137 Ų13768%0.67572%0.718SS**  trans-119.9-174.1-149.546.4-41000117.6
513V37.6Very low38.5Very low141 Ų141135 Ų13586%0.85572%0.718SS**  trans-162.3168.8156.8134.50000109.8
514V40.2Very low39Very low98 Ų98134.4 Ų134.459%0.59471%0.714SS**  -173.3141.7-67.5137.50000111.6
515K40Very low39.3Very low189 Ų189138.8 Ų138.882%0.82272%0.721SS**  trans70.6161.3174.8-64.9154.4-169.6172.60116
516N37.6Very low39.5Very low145 Ų145142.6 Ų142.678%0.77572%0.724SS**  cis-148.7157.51-138.918.7000112.7
517P41.9Very low40Very low107 Ų107139.4 Ų139.470%0.69572%0.72SS**  trans-118.8175.1-179.442.1-32.2000115.3
518Q41.9Very low40.3Very low151 Ų151141.8 Ų141.871%0.70672%0.724SS**  trans-136131.6160.2-70.4-150.753.900113.5
519K39.6Very low40.4Very low168 Ų168144.8 Ų144.873%0.7373%0.73SS**  52.3143.4129.1-61.4177.6-166.2152.60119.5
520K39.1Very low40.6Very low184 Ų184147.8 Ų147.880%0.873%0.728SS**  cis-156141.725.7-132.9158.4-176.1-178.50111.7
521S42Very low41Very low99 Ų99149.9 Ų149.969%0.69274%0.743SS**  trans42146.1142.962.50000121.9
522K40.3Very low41.2Very low196 Ų196148.5 Ų148.585%0.85274%0.739SS**  cis-118.2-115.528.8-64.1179.2178.8178.70114.6
523T41.4Very low41.1Very low123 Ų123152.4 Ų152.476%0.75575%0.745SS**  trans-165.3157.9-148.748.10000110.8
524T43Very low41.4Very low104 Ų104150.7 Ų150.764%0.63874%0.735SS**  cis-166.9177.9-11.441.20000105.5
525K41.6Very low41.4Very low187 Ų187152.1 Ų152.181%0.81373%0.733SS**  cis-133.3-159.513-55.179.8-178.61790107.2
526R39.6Very low41.3Very low223 Ų223146.4 Ų146.484%0.84273%0.728SS**  cis-150.590.4-7.4-16816773.1170.90.8111
527T40.7Very low41.4Very low109 Ų109149.1 Ų149.167%0.66973%0.733SS**  trans26.1143.5134.455.50000121.1
528K42.6Very low41.2Very low167 Ų167154.7 Ų154.773%0.72674%0.74SS**  cis-177.1156.227.1-122.2161.5-168.2168.70112
529R41.8Very low41.1Very low197 Ų197154.7 Ų154.774%0.74375%0.75SS**  trans69152.5152-64.7173.8167178.5-5.7117.8
530R40.7Very low41Very low184 Ų184155.8 Ų155.869%0.69476%0.755SS**  cis-153.9141.4-12.5-115.1173.3170.9-177.7-6.2108.2
531L44.8Very low41Very low146 Ų146156.3 Ų156.376%0.76476%0.757SS**  45.7140104.2-81.864.6000116.5
532S44.5Very low40.5Very low96 Ų96160.9 Ų160.967%0.67177%0.765SS**  cis-176162.8-12.644.60000112.3
533K42.3Very low40.2Very low187 Ų187158.4 Ų158.481%0.81376%0.76SS**  trans2147.7143.3-55.3177.8178.6179.30117.8
534T44.3Very low39.9Very low105 Ų105161.5 Ų161.564%0.64476%0.758SS**  cis-167.1138.933.7-18.10000114.9
535K38.7Very low39.5Very low128 Ų128165.5 Ų165.556%0.55777%0.766SS**  trans25.9137.6140.1-52.4172.977.1-174.10122.3E508 F510E508-K535 IonicContact OE1-NZ 3.24Å; F510-K535 VanDerWaalsContact CD2-NZ 3.33Å; F510-K535 HydrophobicContact CE1-CB 4.42Å; F510-K535 HydrophobicContact CE1-CD 3.9Å; F510-K535 HydrophobicContact CE2-CD 4.09Å; F510-K535 VanDerWaalsContact CE2-CE 3.4Å; F510-K535 HydrophobicContact CZ-CB 3.74Å; F510-K535 HydrophobicContact CZ-CD 3.51Å; F510-K535 HydrophobicContact CZ-CG 4.23Å
536G39.1Very low39.2Very low69 Ų69161 Ų16171%0.71176%0.759SS**  trans155130.6136.800000120
537K40Very low39.1Very low201 Ų201159.3 Ų159.387%0.87476%0.757SS**  trans65.6114.2158.3-64.8176-178.4177.50117.5
538R37.5Very low38.7Very low225 Ų225163.3 Ų163.385%0.84977%0.765SS**  72.9115.679.8-86-169.6177.1-1751114.8
539V39.1Very low38.3Very low150 Ų150165.9 Ų165.991%0.90978%0.777SS**  -176.3161.3126.4144.20000111.5
540K38.4Very low37.9Very low191 Ų191163.4 Ų163.483%0.8377%0.774SS**  trans-87.1176.9-166.5-56.5172.3178.1176.50114.6
541K38.6Very low37.4Very low196 Ų196164.7 Ų164.785%0.85278%0.779SS**  trans74.2143.9169.1-65.1178.5177.8179.40113.6
542K32.5Very low36.8Very low195 Ų195162.4 Ų162.485%0.84878%0.775SS**  cis142.4148.3-5.2-110.2-160.5175.6-1670104.8
543L34Very low36.5Very low144 Ų144169.5 Ų169.575%0.75479%0.787SS**  trans88.797.9151.4-13471.6000120.9
544R34.4Very low36.1Very low187 Ų187166.9 Ų166.971%0.70678%0.782SS**  trans68153.7131.2-73.1-175.2166.4-174.4-5.8121.8D614R544-D614 IonicContact NH2-OD2 3.05Å; R544-D614 PolarHBondContact NH2-OD2 3.26Å
545K35Very low35.8Very low188 Ų188171.1 Ų171.182%0.81779%0.791SS**  trans83.7102.7154.1-78170.8-179.8-176.50121.1
546S34.8Very low35.6Very low94 Ų94170.1 Ų170.166%0.65780%0.796SS**  95.9112.3116.9-72.90000122.2
547K37.3Very low35.5Very low187 Ų187174.9 Ų174.981%0.81380%0.802SS**  61124.5120-65.2177.7178.5177.10119.7
548K33.2Very low35.3Very low192 Ų192176.2 Ų176.284%0.83580%0.802SS**  trans66.6109.7154-62.6178.2178.4-1790117.4
549F32.6Very low35.2Very low221 Ų221175.4 Ų175.497%0.96980%0.804SS**  trans-125106.7137-124.9-88.5000110
550Q34.5Very low35Very low145 Ų145177.4 Ų177.468%0.67880%0.801SS**  trans-102.5146.5173.8-127.9-173.17.100108.3
551R30.7Very low34.9Very low212 Ų212175 Ų17580%0.880%0.795SS**  trans50.9112.1153.7-67.7172.8161176.3-6.4118.4
552S31.1Very low34.4Very low98 Ų98176.8 Ų176.869%0.68580%0.797SS**  146.4140.79765.30000116.9
553R38.9Very low34.3Very low245 Ų245177.1 Ų177.193%0.92580%0.798SS**  trans-160.8106.1154.6-106.1174.5149.3125.7-7.2103.1
554N34.6Very low34.4Very low132 Ų132177.8 Ų177.871%0.70680%0.801SS**  cis55.7127.232.6-72.8-27.9000111.9
555K36.1Very low34.2Very low193 Ų193173.3 Ų173.384%0.83980%0.799SS**  cis-124.2-1743.2-58.7161.8175.4168.30108.5
556T36.3Very low34Very low108 Ų108169.8 Ų169.866%0.66380%0.798SS**  cis-153.5166.25.3-19.70000105.2
557M36.6Very low34.1Very low169 Ų169169.8 Ų169.883%0.83380%0.798SS**  cis-154.7125.642.3-66-82.3-124.800107.1
558R35.2Very low33.9Very low229 Ų229168.9 Ų168.986%0.86480%0.801SS**  40.812078.5-67.3-172.1170.1-157.8-4.3113.2
559K36Very low34.1Very low208 Ų208164.9 Ų164.990%0.90480%0.797SS**  cis-114-151.536.1-59.9149.1-173.3173.50110.8
560K34.4Very low34.2Very low192 Ų192159.5 Ų159.584%0.83579%0.787SS**  cis-150169.7-5.1-157.7-156.2168.1-177.20110.7
561I35.6Very low34.4Very low140 Ų140159.2 Ų159.272%0.71880%0.795SS**  trans-67.1146.6169.3-59.4151.2000112
562R29.3Very low34.6Very low234 Ų234154.2 Ų154.288%0.88379%0.792SS**  cis88.985.38.1-152.3-169.7-153.9-159.28.1119.4
563K30.9Very low35.5Very low201 Ų201154.8 Ų154.887%0.87479%0.794SS**  trans158.9168148.7-95.5-177.5175.4-170.20112.5
564L35.7Very low35.6Very low158 Ų158152.6 Ų152.683%0.82779%0.791SS**  trans70.4115.8-180-48.2178.7000113.3
565S28.7Very low36.1Very low93 Ų93151.9 Ų151.965%0.6579%0.793SS**  cis77.9126.216.988.10000117
566S31.7Very low36.2Very low114 Ų114148 Ų14880%0.79779%0.79SS**  trans62.9148.2-178.424.20000115.2
567S36.5Very low36.3Very low95 Ų95149.1 Ų149.166%0.66480%0.797SS**  cis-174.2149.2-6.142.80000111.2
568L34.4Very low36.4Very low168 Ų168146.2 Ų146.288%0.8879%0.794SS**  trans65.6158156.7-64.2163.9000116.6
569S36.7Very low36.6Very low107 Ų107140.7 Ų140.775%0.74879%0.79SS**  cis-154.4161.7-7.630.80000112.4
570S34.3Very low36.8Very low108 Ų108137.8 Ų137.876%0.75578%0.78SS**  trans-55.9153.7177.352.50000118.6
571V39.4Very low37Very low139 Ų139135.6 Ų135.684%0.84278%0.777SS**  trans-143.2141.6132.2-178.30000110.7
572S34.6Very low37Very low107 Ų107139 Ų13975%0.74878%0.781SS**  trans-162-169.1166.5-45.80000106.8
573P49.4Very low37.5Very low110 Ų110133.4 Ų133.471%0.71477%0.772SS**  cis-126.9-167.2-31.637.7-20.2000111.5
574K40.5Very low37.9Very low200 Ų200134.3 Ų134.387%0.8777%0.77SS**  172.3164.2124-93.7171.7-178.8-179.20115.3
575P45Very low38Very low116 Ų116134.3 Ų134.375%0.75377%0.771SS**  trans-129.2174.8-166.743.8-29.8000117.1
576S38.9Very low38.4Very low111 Ų111133.1 Ų133.178%0.77677%0.773SS**  trans-178.2170165.7-84.10000111.6
577T39.4Very low38.8Very low132 Ų132135.6 Ų135.681%0.8178%0.777SS**  cis-174.6165.3-32.9340000108.6
578S38.4Very low39Very low109 Ų109138.7 Ų138.776%0.76278%0.784SS**  cis178.7105.9-38.4-173.10000112.3
579S39.9Very low39.1Very low112 Ų112134.1 Ų134.178%0.78378%0.777SS**  trans-153.3119.4166.538.60000112.3
580Q40.1Very low39.3Very low148 Ų148134.2 Ų134.269%0.69278%0.778SS**  64127.685.8-58.5-70.3-3.400112.9
581L37.6Very low39.3Very low146 Ų146134.4 Ų134.476%0.76478%0.779SS**  cis-142.1143.532.4-71.7166000111.1
582R36.2Very low39.3Very low211 Ų211136.1 Ų136.180%0.79678%0.783SS**  66.3134.178.8-92.9-176.8-165.6-156.14.8114
583V39.7Very low39.4Very low117 Ų117136.7 Ų136.771%0.70978%0.784SS**  cis-155.1151.325.3-1690000114.6
584R39.2Very low38.7Very low220 Ų220141.1 Ų141.183%0.8379%0.792SS**  trans66.199.9153.8-89.9175.1165104.4-1.8125.1
585N36.9Very low38.5Very low157 Ų157139.3 Ų139.384%0.8479%0.791SS**  48129.5109.7-60.526.7000125.4
586G38Very low38.1Very low68 Ų68139.2 Ų139.270%0.70179%0.793SS**  trans158.184.4151.400000112.1
587L40.2Very low37.8Very low167 Ų167141.2 Ų141.287%0.87479%0.793SS**  42124.689.9-65174000113
588I39.6Very low37.6Very low160 Ų160143 Ų14382%0.82180%0.797SS**  cis-139.4136.332.4-65.1162.1000108.7
589G36.2Very low37.4Very low71 Ų71141.1 Ų141.173%0.73280%0.795SS**  73.5132.688.600000114
590S41.2Very low37.5Very low110 Ų110145.9 Ų145.977%0.76980%0.802SS**  cis-153.9126.610.355.60000114.8
591S35Very low37.1Very low111 Ų111148 Ų14878%0.77681%0.811SS**  trans21.1127.5132.760.80000122.9
592L39.3Very low37.3Very low176 Ų176146.5 Ų146.592%0.92181%0.814SS**  trans-116.3131.7152.6-82.2168000110.1
593P37.7Very low37.3Very low118 Ų118145.4 Ų145.477%0.76682%0.817SS**  trans-96.3156.9-176.836.3-34.6000114.7
594K33.9Very low37.1Very low204 Ų204146.2 Ų146.289%0.88783%0.826SS**  trans-89.1130.2168.5-68175.8177.3175.60111.3
595L35.2Very low36.9Very low162 Ų162141.5 Ų141.585%0.84882%0.818SS**  trans-140.4130.8154.6-65.6174.7000106.2
596S36.5Very low36.7Very low114 Ų114141.5 Ų141.580%0.79781%0.811SS**  cis88.1148.338.6-157.60000113.7
597I34.6Very low36.4Very low152 Ų152147.4 Ų147.478%0.77981%0.812SS**  trans-98160-154.8-53.4171.7000111.7
598L34.5Very low35.9Very low169 Ų169147 Ų14789%0.88581%0.81SS**  trans93.2117.5171.3-69.799.3000117.9
599G34.1Very low35.7Very low70 Ų70146.2 Ų146.272%0.72281%0.806SS**  110.294.6125.700000118.7
600K41Very low35.5Very low212 Ų212148.2 Ų148.292%0.92280%0.804SS**  -179.7150.5102.4-97.9174.7180-179.30112.5
601E32.8Very low35.6Very low192 Ų192149.6 Ų149.690%0.89780%0.803SS**  trans-88.6152.4169.2-61.7161.9129.100110.1
602S41Very low35.9Very low116 Ų116152.9 Ų152.981%0.81181%0.806SS**  trans-135.5123.316252.60000109.2
603Q37.6Very low35.8Very low188 Ų188151.8 Ų151.888%0.87980%0.801SS**  trans-77.8138.1-176.4-64.2167.8-65.700111.3
604C34.4Very low36Very low133 Ų133152.1 Ų152.190%0.89980%0.796SS**  trans-128.691152.142.20000108.2
605D35.3Very low36.4Very low121 Ų121149 Ų14965%0.64779%0.79SS**  trans-91.6132.8-179.5177.430.3000110.1
606F33.3Very low36.6Very low157 Ų157150.2 Ų150.269%0.68979%0.788SS**  -169.1137.2118.8-124.1-113.8000115.2
607R32.2Very low36.7Very low192 Ų192148.6 Ų148.673%0.72578%0.781SS**  trans5097155.9-87.5-177.5167.8135.3-0.3119.2
608L29Very low36.6Very low159 Ų159146.3 Ų146.383%0.83278%0.779SS**  -69.9147.4129.4-74.6165.2000110.3
609L34.2Very low36.8Very low143 Ų143146.4 Ų146.475%0.74978%0.779SS**  trans-128.7136.2152.3-95.6169.1000107.2
610V33.9Very low36.9Very low114 Ų114149.4 Ų149.469%0.69178%0.783SS**  trans-144.5111.3-177.9-179.60000108.3
611D42.8Very low36.9Very low139 Ų139144.5 Ų144.574%0.74377%0.772SS**  trans-134.399.7163.9-65.7-70.9000104.8
612E40.2Very low37.2Very low179 Ų179140.7 Ų140.784%0.83677%0.767SS**  85.9140.494.9-73.1-141.113700113.4
613D37.3Very low37.4Very low153 Ų153140.6 Ų140.682%0.81876%0.764SS**  trans-84.3150.9-169.1-44.9-96.3000113.8
614D41.7Very low37.8Very low125 Ų125137.5 Ų137.567%0.66876%0.76SS**  -172.2143.2120.4-103.3-25.8000113.3R544R544-D614 IonicContact NH2-OD2 3.05Å; R544-D614 PolarHBondContact NH2-OD2 3.26Å
615D41.9Very low37.7Very low140 Ų140138.2 Ų138.275%0.74975%0.753SS**  trans43.9110.4149.6-88.2-15.4000124.1
616K41.4Very low37.9Very low186 Ų186140.5 Ų140.581%0.80976%0.764SS**  92.4143.7105.3-171.4-171.7174.2-156.40121.7
617A37.7Very low38Very low80 Ų80138.1 Ų138.166%0.66176%0.762SS**  trans64.5103.3166.300000116.9
618S33.3Very low37.9Very low104 Ų104135.3 Ų135.373%0.72777%0.767SS**  65.3102.673.877.10000115.6
619I36.8Very low38.3Very low172 Ų172133.8 Ų133.888%0.88277%0.769SS**  trans-170.5148.2138.9-98.3151.2000109.7
620V38.1Very low38.4Very low132 Ų132132.7 Ų132.780%0.877%0.774SS**  trans-127.1141.4179.8161.90000104.2
621P39.5Very low38.5Very low109 Ų109132.1 Ų132.171%0.70878%0.781SS**  -148.6172.551.930-4.5000119.4
622S40.2Very low38.1Very low112 Ų112130.2 Ų130.278%0.78378%0.778SS**  trans41.5151.7135.6-53.20000125
623P44.6Very low37.9Very low114 Ų114129 Ų12974%0.7478%0.777SS**PPolyproline II helixtrans-100170.5-175.641.2-37.4000115
624P45.1Very low37.7Very low123 Ų123129.9 Ų129.980%0.79978%0.782SS**PPolyproline II helixtrans-86.6152166.535-33.5000113.4
625I34.2Very low37.5Very low148 Ų148129.3 Ų129.376%0.75979%0.788SS**PPolyproline II helixtrans-100.3141.3172.4-62.7160.6000108.7T627I625-T627 HydrophobicContact CG2-CG2 4.34Å
626I38.6Very low37Very low170 Ų170130.9 Ų130.987%0.87280%0.795SS**  trans-131.2142.5156.3-63-174.9000108.9
627T34.9Very low36.8Very low107 Ų107127.4 Ų127.466%0.65679%0.794SS**  trans-115.7149-159.8120000113.7I625I625-T627 HydrophobicContact CG2-CG2 4.34Å
628T30.8Very low36.6Very low133 Ų133132.3 Ų132.382%0.81680%0.803SS**  trans31.2119.5147.858.50000120.5
629S38.1Very low36.8Very low127 Ų127132.6 Ų132.689%0.88880%0.803SS**  -152.7147.6127.861.40000111.6
630S34.2Very low36.6Very low120 Ų120131.1 Ų131.184%0.83980%0.796SS**  trans-97.4144-176.153.20000112.6
631A36.2Very low36.4Very low102 Ų102130.6 Ų130.684%0.84380%0.796SS**  trans-159.9151142.900000111.7
632S34.8Very low36.3Very low98 Ų98136.5 Ų136.569%0.68580%0.804SS**  trans-76.3153.7173.752.80000112.5
633N36.8Very low36.2Very low154 Ų154136.1 Ų136.182%0.82480%0.802SS**  -169.7145.7109.1-89.5-21000112.5
634N33Very low36.2Very low171 Ų171134.7 Ų134.791%0.91479%0.794SS**  trans-85133.1171.4-71.6-41.3000109.9
635S37.4Very low36.9Very low114 Ų114132.1 Ų132.180%0.79778%0.776SS**  trans-135.3116.3162570000109.6
636I31.8Very low37.8Very low172 Ų172134 Ų13488%0.88278%0.775SS**  trans-72.5131-173.7-67.1163.5000110.2
637S37.2Very low38.6Very low114 Ų114131.7 Ų131.780%0.79776%0.764SS**  trans-143.5124.9160.352.40000111.8
638Q34Very low39.9Very low183 Ų183129.1 Ų129.186%0.85575%0.75SS**  trans-135.8165.3164.2-89-160.211.500106.6
639P37.4Very low41.3Very low110 Ų110127 Ų12771%0.71473%0.734SS**  cis-124.5176.5-14.335.2-19.6000112.2
640N32.8Very low42.3Very low140 Ų140123.9 Ų123.975%0.74971%0.707SS**  trans-150.5107.9153.6-162.2-8.1000111.9R642N640-R642 PolarHBondContact O-N 3.48Å
641P33.9Very low43.7Very low122 Ų122124.5 Ų124.579%0.79270%0.696SS**  trans-87.367.1-17235.6-36.1000112.4
642R35.7Very low44.8Very low232 Ų232122.1 Ų122.188%0.87568%0.677SS**  trans-157.359.6-180-117162.9-164.9-175.73.6116.2N640N640-R642 PolarHBondContact O-N 3.48Å
643S39.2Very low46.2Very low105 Ų105119 Ų11973%0.73466%0.66SS**  trans-16291.615941.70000111.3
644S43.5Very low47.1Very low83 Ų83116.8 Ų116.858%0.5865%0.645SS**  trans-68.9131.4150.663.20000106.6D649S644-D649 WeakPolarHBondContact CB-OD1 3.19Å; S644-D649 VanDerWaalsContact CB-OD2 3.25Å; S644-D649 WeakPolarHBondContact CB-OD2 3.44Å; S644-D649 PolarHBondContact OG-OD2 2.82Å
645T61.1Low47.9Very low69 Ų69111.9 Ų111.942%0.42363%0.628SS.*  trans-84.1150170.875.70000108.4L647 S648 D649T645-L647 PolarHBondContact O-N 2.66Å; T645-L647 VanDerWaalsContact O-N 3.07Å; T645-S648 WeakPolarHBondContact O-CA 3.42Å; T645-S648 WeakPolarHBondContact O-CB 3.32Å; T645-S648 PolarHBondContact O-N 2.81Å; T645-S648 PolarHBondContact OG1-N 3.48Å; T645-S648 VanDerWaalsContact OG1-N 3.1Å; T645-S648 PolarHBondContact OG1-OG 2.81Å; T645-D649 PolarHBondContact O-N 2.65Å
646Y53Low48.6Very low189 Ų189110.7 Ų110.774%0.74162%0.62SS**Hα-helixtrans-53.1-31.1174.7-177.5-115000112.5I650Y646-I650 HydrophobicContact CD1-CD1 3.8Å; Y646-I650 HydrophobicContact CE1-CD1 3.53Å; Y646-I650 HydrophobicContact CE2-CD1 4.3Å; Y646-I650 HydrophobicContact CG-CD1 4.31Å; Y646-I650 WeakPolarHBondContact O-CB 3.31Å; Y646-I650 WeakPolarHBondContact O-CD1 3.46Å; Y646-I650 VanDerWaalsContact O-CG1 3.24Å; Y646-I650 WeakPolarHBondContact O-CG1 3.37Å; Y646-I650 PolarHBondContact O-N 2.99Å; Y646-I650 VanDerWaalsContact O-N 3.08Å
647L54.5Low49.2Very low120 Ų120108.3 Ų108.363%0.62861%0.608SS**Hα-helixtrans-70-41.6172.7-67.5172.4000112.7T645 D649 I650 E651T645-L647 PolarHBondContact O-N 2.66Å; T645-L647 VanDerWaalsContact O-N 3.07Å; L647-D649 VanDerWaalsContact C-N 3.34Å; L647-D649 PolarHBondContact O-N 3.1Å; L647-I650 PolarHBondContact O-N 2.86Å; L647-E651 WeakPolarHBondContact O-CG 3.48Å; L647-E651 PolarHBondContact O-N 3.25Å
648S63.6Low49.5Very low54 Ų54111.1 Ų111.138%0.37861%0.606SS.*Hα-helixtrans-63.6-38.4175.9-50.90000112.3T645 E651 A652T645-S648 WeakPolarHBondContact O-CA 3.42Å; T645-S648 WeakPolarHBondContact O-CB 3.32Å; T645-S648 PolarHBondContact O-N 2.81Å; T645-S648 PolarHBondContact OG1-N 3.48Å; T645-S648 VanDerWaalsContact OG1-N 3.1Å; T645-S648 PolarHBondContact OG1-OG 2.81Å; S648-E651 PolarHBondContact O-N 2.93Å; S648-A652 WeakPolarHBondContact O-CB 3.45Å; S648-A652 PolarHBondContact O-N 3.23Å
649D59.5Low49.8Very low89 Ų89112.8 Ų112.848%0.47661%0.605SS.*Hα-helixtrans-72-32.2176.5-66.6-38.5000111.6S644 T645 L647 G653S644-D649 WeakPolarHBondContact CB-OD1 3.19Å; S644-D649 VanDerWaalsContact CB-OD2 3.25Å; S644-D649 WeakPolarHBondContact CB-OD2 3.44Å; S644-D649 PolarHBondContact OG-OD2 2.82Å; T645-D649 PolarHBondContact O-N 2.65Å; L647-D649 VanDerWaalsContact C-N 3.34Å; L647-D649 PolarHBondContact O-N 3.1Å; D649-G653 PolarHBondContact O-N 3.07Å
650I59.3Low49.9Very low61 Ų61117.1 Ų117.131%0.31361%0.613SS.*Hα-helixtrans-68.1-44.1169.3-73.6167.2000111.6Y646 L647 G653 Q654Y646-I650 HydrophobicContact CD1-CD1 3.8Å; Y646-I650 HydrophobicContact CE1-CD1 3.53Å; Y646-I650 HydrophobicContact CE2-CD1 4.3Å; Y646-I650 HydrophobicContact CG-CD1 4.31Å; Y646-I650 WeakPolarHBondContact O-CB 3.31Å; Y646-I650 WeakPolarHBondContact O-CD1 3.46Å; Y646-I650 VanDerWaalsContact O-CG1 3.24Å; Y646-I650 WeakPolarHBondContact O-CG1 3.37Å; Y646-I650 PolarHBondContact O-N 2.99Å; Y646-I650 VanDerWaalsContact O-N 3.08Å; L647-I650 PolarHBondContact O-N 2.86Å; I650-G653 PolarHBondContact O-N 3.01Å; I650-Q654 HydrophobicContact CG2-CG 4.42Å; I650-Q654 WeakPolarHBondContact O-CG 3.47Å; I650-Q654 PolarHBondContact O-N 2.98Å
651E64.4Low50.5Low132 Ų132113.1 Ų113.162%0.61760%0.596SS**Hα-helixtrans-63-41176.1-76.5-174.3133.100111.5L647 S648 Q654 A655L647-E651 WeakPolarHBondContact O-CG 3.48Å; L647-E651 PolarHBondContact O-N 3.25Å; S648-E651 PolarHBondContact O-N 2.93Å; E651-Q654 PolarHBondContact O-N 3.43Å; E651-A655 VanDerWaalsContact O-CB 3.23Å; E651-A655 WeakPolarHBondContact O-CB 3.37Å; E651-A655 PolarHBondContact O-N 3.16Å
652A58.9Low51.4Low53 Ų53113.5 Ų113.544%0.43860%0.596SS.*Hα-helixtrans-64.2-38.4173.500000112.4S648 S656S648-A652 WeakPolarHBondContact O-CB 3.45Å; S648-A652 PolarHBondContact O-N 3.23Å; A652-S656 WeakPolarHBondContact O-CB 3.32Å; A652-S656 PolarHBondContact O-N 3.47Å; A652-S656 VanDerWaalsContact O-N 3.1Å; A652-S656 PolarHBondContact O-OG 2.84Å
653G63Low52.7Low33 Ų33112.5 Ų112.534%0.3459%0.592SS.*Hα-helixtrans-62.3-49.2172.100000112.6D649 I650 S656 L657D649-G653 PolarHBondContact O-N 3.07Å; I650-G653 PolarHBondContact O-N 3.01Å; G653-S656 WeakPolarHBondContact O-CB 3.18Å; G653-S656 PolarHBondContact O-N 3.22Å; G653-L657 WeakPolarHBondContact O-CG 3.04Å; G653-L657 PolarHBondContact O-N 2.91Å
654Q56.1Low53.9Low107 Ų107113.5 Ų113.550%0.559%0.585SS.*Hα-helixtrans-64.7-43.5178.1-70.3-17911.100112I650 E651 S656 L657 F658I650-Q654 HydrophobicContact CG2-CG 4.42Å; I650-Q654 WeakPolarHBondContact O-CG 3.47Å; I650-Q654 PolarHBondContact O-N 2.98Å; E651-Q654 PolarHBondContact O-N 3.43Å; Q654-S656 PolarHBondContact O-N 3.19Å; Q654-L657 PolarHBondContact O-N 3.48Å; Q654-L657 VanDerWaalsContact O-N 3.09Å; Q654-F658 VanDerWaalsContact O-CD2 3.22Å; Q654-F658 WeakPolarHBondContact O-CD2 3.39Å; Q654-F658 PolarHBondContact O-N 3.41Å
655A50.2Low55.5Low67 Ų67113.2 Ų113.255%0.55458%0.575SS**Hα-helixtrans-60.7-28.5174.600000113E651E651-A655 VanDerWaalsContact O-CB 3.23Å; E651-A655 WeakPolarHBondContact O-CB 3.37Å; E651-A655 PolarHBondContact O-N 3.16Å
656S51.5Low56.3Low90 Ų90114.5 Ų114.563%0.62958%0.576SS**Hα-helixtrans-76.3-38173.7-58.50000112.5A652 G653 Q654 F658 R659A652-S656 WeakPolarHBondContact O-CB 3.32Å; A652-S656 PolarHBondContact O-N 3.47Å; A652-S656 VanDerWaalsContact O-N 3.1Å; A652-S656 PolarHBondContact O-OG 2.84Å; G653-S656 WeakPolarHBondContact O-CB 3.18Å; G653-S656 PolarHBondContact O-N 3.22Å; Q654-S656 PolarHBondContact O-N 3.19Å; S656-F658 VanDerWaalsContact C-N 3.3Å; S656-F658 PolarHBondContact O-N 3.09Å; S656-R659 PolarHBondContact O-N 3.4Å
657L45.4Very low57.6Low121 Ų121109.9 Ų109.963%0.63457%0.568SS**Hα-helixtrans-64.8-29.9177.2-71.2169.3000113.2G653 Q654 R659 F660G653-L657 WeakPolarHBondContact O-CG 3.04Å; G653-L657 PolarHBondContact O-N 2.91Å; Q654-L657 PolarHBondContact O-N 3.48Å; Q654-L657 VanDerWaalsContact O-N 3.09Å; L657-R659 VanDerWaalsContact C-N 3.31Å; L657-R659 PolarHBondContact O-N 2.83Å; L657-F660 WeakPolarHBondContact O-CD2 3.36Å
658F42.3Very low58.7Low174 Ų174106 Ų10676%0.76355%0.548SS*.THydrogen-bonded Turntrans-84.49.1179.1-72-66.8000115.4Q654 S656Q654-F658 VanDerWaalsContact O-CD2 3.22Å; Q654-F658 WeakPolarHBondContact O-CD2 3.39Å; Q654-F658 PolarHBondContact O-N 3.41Å; S656-F658 VanDerWaalsContact C-N 3.3Å; S656-F658 PolarHBondContact O-N 3.09Å
659R40.8Very low59.3Low217 Ų217109.9 Ų109.982%0.81957%0.572SS**  trans-102.156.3170.3-87.4-172.6168.2172.6-0.6113.2S656 L657 S661S656-R659 PolarHBondContact O-N 3.4Å; L657-R659 VanDerWaalsContact C-N 3.31Å; L657-R659 PolarHBondContact O-N 2.83Å; R659-S661 PolarHBondContact O-N 3.2Å
660F38.8Very low60.5Low202 Ų202111 Ų11189%0.88658%0.577SS**  trans-62.194.5164.1-89.2-90.8000110.7L657L657-F660 WeakPolarHBondContact O-CD2 3.36Å
661S45.3Very low61.2Low55 Ų55116 Ų11639%0.38560%0.599SS.*  trans-129.5121.3172.9-168.20000109.3R659 R663 H664R659-S661 PolarHBondContact O-N 3.2Å; S661-R663 PolarHBondContact O-N 3.23Å; S661-H664 PolarHBondContact O-N 3.38Å
662T53.9Low62.1Low130 Ų130111.7 Ų111.780%0.79858%0.584SS**G310 helixtrans-63.3-1.9-177.949.60000114.6H664T662-H664 VanDerWaalsContact C-N 3.32Å; T662-H664 PolarHBondContact O-N 2.78Å
663R63.3Low63.1Low211 Ų211114.1 Ų114.180%0.79659%0.588SS**G310 helixtrans-76.9-10.5177.8-61.7-176-178.6-179.11.2114.7S661S661-R663 PolarHBondContact O-N 3.23Å
664H64.8Low63.7Low126 Ų126114.5 Ų114.558%0.58359%0.585SS**G310 helixtrans-118.917.1-176.7-52.8126.5000113.6S661 T662 I676S661-H664 PolarHBondContact O-N 3.38Å; T662-H664 VanDerWaalsContact C-N 3.32Å; T662-H664 PolarHBondContact O-N 2.78Å; H664-I676 PolarHBondContact O-N 2.75Å; H664-I676 VanDerWaalsContact O-N 3.08Å
665M75.6Confident64.4Low78 Ų78113.9 Ų113.938%0.38459%0.59SS.*EExtended strand (participates in β ladder)trans-110.1134175.9-57.5-102.177.200109.4M673 S674 P675M665-M673 HydrophobicContact CB-SD 4.26Å; M665-M673 HydrophobicContact SD-CB 4.11Å; M665-S674 CarbonylContact C-O 3.51Å; M665-S674 WeakPolarHBondContact CA-O 3.22Å; M665-P675 HydrophobicContact CE-CB 4.17Å; M665-P675 HydrophobicContact CE-CG 3.86Å
666Q77.8Confident65.2Low95 Ų95114.6 Ų114.644%0.44458%0.584SS.*EExtended strand (participates in β ladder)trans-97.1145.2169168.9171-26.600109.9M673 S674 I676Q666-M673 WeakPolarHBondContact O-CA 3.24Å; Q666-S674 PolarHBondContact N-O 2.78Å; Q666-S674 PolarHBondContact O-N 3.46Å; Q666-I676 HydrophobicContact CB-CG1 4.11Å
667V80Confident65.5Low93 Ų93115.6 Ų115.656%0.56459%0.588SS**EExtended strand (participates in β ladder)trans-82.4123.6165.9-160.20000108.6M673V667-M673 HydrophobicContact CB-CE 4.07Å; V667-M673 HydrophobicContact CG1-CE 3.83Å; V667-M673 HydrophobicContact CG2-CE 3.97Å
668N78.1Confident65.9Low38 Ų38116.2 Ų116.220%0.20360%0.597CS.*PPolyproline II helixtrans-83.5162.1171-70.9-19.5000110.9D670 H671 S672 S674N668-D670 WeakPolarHBondContact CB-OD1 3.23Å; N668-D670 PolarHBondContact O-N 3.1Å; N668-D670 VanDerWaalsContact O-N 3.12Å; N668-H671 PolarHBondContact O-N 2.86Å; N668-S672 WeakPolarHBondContact CB-O 3.4Å; N668-S672 WeakPolarHBondContact CB-OG 3.35Å; N668-S672 PolarHBondContact N-O 3.08Å; N668-S672 PolarHBondContact ND2-OG 2.87Å; N668-S674 PolarHBondContact ND2-OG 3.06Å
669P76.6Confident65.9Low136 Ų136112.1 Ų112.188%0.88360%0.595SS**THydrogen-bonded Turntrans-61.2-19.3179.8-24.535.5000115.2H671P669-H671 VanDerWaalsContact C-N 3.32Å
670D84.8Confident65.9Low111 Ų111111.4 Ų111.459%0.59460%0.598SS**THydrogen-bonded Turntrans-90.410.717668-14.9000113.4N668 S672N668-D670 WeakPolarHBondContact CB-OD1 3.23Å; N668-D670 PolarHBondContact O-N 3.1Å; N668-D670 VanDerWaalsContact O-N 3.12Å; D670-S672 VanDerWaalsContact CG-OG 3.26Å; D670-S672 PolarHBondContact O-N 3.4Å; D670-S672 VanDerWaalsContact OD1-CB 3.26Å; D670-S672 WeakPolarHBondContact OD1-CB 3.44Å; D670-S672 PolarHBondContact OD1-N 3.01Å; D670-S672 PolarHBondContact OD1-OG 3.07Å; D670-S672 PolarHBondContact OD2-OG 3.15Å
671H74.2Confident66Low166 Ų166108 Ų10877%0.76959%0.593SS**SBendtrans64.28.2-170.8-54.4-61000116N668 P669N668-H671 PolarHBondContact O-N 2.86Å; P669-H671 VanDerWaalsContact C-N 3.32Å
672S83.4Confident65.5Low42 Ų42110.5 Ų110.529%0.29461%0.608SS.*  trans-71.7154.3171.469.90000112N668 D670N668-S672 WeakPolarHBondContact CB-O 3.4Å; N668-S672 WeakPolarHBondContact CB-OG 3.35Å; N668-S672 PolarHBondContact N-O 3.08Å; N668-S672 PolarHBondContact ND2-OG 2.87Å; D670-S672 VanDerWaalsContact CG-OG 3.26Å; D670-S672 PolarHBondContact O-N 3.4Å; D670-S672 VanDerWaalsContact OD1-CB 3.26Å; D670-S672 WeakPolarHBondContact OD1-CB 3.44Å; D670-S672 PolarHBondContact OD1-N 3.01Å; D670-S672 PolarHBondContact OD1-OG 3.07Å; D670-S672 PolarHBondContact OD2-OG 3.15Å
673M80.4Confident64.5Low105 Ų105109.8 Ų109.852%0.51761%0.608SS.*EExtended strand (participates in β ladder)trans-93.3134.7172-65.6-67.698.200109.8M665 Q666 V667M665-M673 HydrophobicContact CB-SD 4.26Å; M665-M673 HydrophobicContact SD-CB 4.11Å; Q666-M673 WeakPolarHBondContact O-CA 3.24Å; V667-M673 HydrophobicContact CB-CE 4.07Å; V667-M673 HydrophobicContact CG1-CE 3.83Å; V667-M673 HydrophobicContact CG2-CE 3.97Å
674S73.9Confident63Low40 Ų40106.8 Ų106.828%0.2861%0.607SS.*EExtended strand (participates in β ladder)trans-134.6147.1172.1-78.30000112.1M665 Q666 N668 I676M665-S674 CarbonylContact C-O 3.51Å; M665-S674 WeakPolarHBondContact CA-O 3.22Å; Q666-S674 PolarHBondContact N-O 2.78Å; Q666-S674 PolarHBondContact O-N 3.46Å; N668-S674 PolarHBondContact ND2-OG 3.06Å; S674-I676 PolarHBondContact O-N 2.92Å
675P70.7Confident61.4Low95 Ų95106 Ų10662%0.61762%0.616SS**EExtended strand (participates in β ladder)trans-60.8136.6174.7-20.732.5000111M665 P677M665-P675 HydrophobicContact CE-CB 4.17Å; M665-P675 HydrophobicContact CE-CG 3.86Å; P675-P677 WeakPolarHBondContact O-CD 3.41Å
676I68.5Low59.2Low82 Ų82108.1 Ų108.142%0.42163%0.633SS.*  trans-61.9124.4174-62.3174.1000108.5H664 Q666 S674 V678H664-I676 PolarHBondContact O-N 2.75Å; H664-I676 VanDerWaalsContact O-N 3.08Å; Q666-I676 HydrophobicContact CB-CG1 4.11Å; S674-I676 PolarHBondContact O-N 2.92Å; I676-V678 PolarHBondContact O-N 3.11Å
677P56.4Low57Low110 Ų110110.6 Ų110.671%0.71465%0.65SS**  trans-64.7105.7-178.4-23.635000112.2P675 A679P675-P677 WeakPolarHBondContact O-CD 3.41Å; P677-A679 PolarHBondContact O-N 3.08Å
678V54.9Low54.8Low135 Ų135116.2 Ų116.282%0.81867%0.667SS**  trans-73116.1171-177.30000108.3I676 K680I676-V678 PolarHBondContact O-N 3.11Å; V678-K680 PolarHBondContact O-N 3.15Å
679A42.6Very low52.5Low87 Ų87121 Ų12172%0.71970%0.696SS**  trans-58.4122.9176.700000110.4P677 V681P677-A679 PolarHBondContact O-N 3.08Å; A679-V681 PolarHBondContact O-N 3.37Å; A679-V681 VanDerWaalsContact O-N 3.1Å
680K39.9Very low50.2Low203 Ų203121.2 Ų121.288%0.88369%0.69SS**  trans-65.1112.1172.9-79.1-175.6175.1179.10109V678V678-K680 PolarHBondContact O-N 3.15Å
681V40.1Very low47.7Very low130 Ų130122.6 Ų122.679%0.78870%0.696SS**  trans-56.8129.4168.4-178.20000108.1A679 S683A679-V681 PolarHBondContact O-N 3.37Å; A679-V681 VanDerWaalsContact O-N 3.1Å; V681-S683 PolarHBondContact O-N 3.17Å; V681-S683 VanDerWaalsContact O-N 3.16Å
682P35.5Very low45.7Very low108 Ų108119.9 Ų119.970%0.70169%0.691SS**  trans-61.7118.7179.1-23.634.2000111L684P682-L684 PolarHBondContact O-N 2.92Å
683S32.8Very low43.3Very low114 Ų114125.1 Ų125.180%0.79772%0.716SS**  trans-7199.8171.754.70000109.2V681 S685V681-S683 PolarHBondContact O-N 3.17Å; V681-S683 VanDerWaalsContact O-N 3.16Å; S683-S685 PolarHBondContact O-N 2.83Å; S683-S685 VanDerWaalsContact O-N 3.11Å
684L32.4Very low41.1Very low148 Ų148125 Ų12578%0.77573%0.726SS**  trans-60114.3-179.3-126.578.1000110.7P682 T686P682-L684 PolarHBondContact O-N 2.92Å; L684-T686 HydrophobicContact CD2-CG2 4.46Å; L684-T686 PolarHBondContact O-N 2.9Å
685S30.8Very low39.2Very low110 Ų110128.8 Ų128.877%0.76975%0.747SS**  trans-87.797.5172.156.90000109.8S683S683-S685 PolarHBondContact O-N 2.83Å; S683-S685 VanDerWaalsContact O-N 3.11Å
686T30.6Very low37.3Very low122 Ų122130.7 Ų130.775%0.74875%0.752SS**  trans-109.3131.8171.639.50000111.2L684L684-T686 HydrophobicContact CD2-CG2 4.46Å; L684-T686 PolarHBondContact O-N 2.9Å
687N31.5Very low35.6Very low148 Ų148131.1 Ų131.179%0.79176%0.758SS**  trans-74157.6-160.6-73.6-51.7000114.6V689N687-V689 PolarHBondContact O-N 3.3Å; N687-V689 VanDerWaalsContact O-N 3.09Å
688K32.2Very low34.8Very low211 Ų211134.1 Ų134.192%0.91776%0.76SS**  trans-60.2103.6171.7-165.9-179.9-173.4-1760110.2
689V29.5Very low33.8Very low137 Ų137135.5 Ų135.583%0.8376%0.756SS**  trans-71.5145.2173.7178.10000110N687N687-V689 PolarHBondContact O-N 3.3Å; N687-V689 VanDerWaalsContact O-N 3.09Å
690N30Very low33.5Very low141 Ų141135.5 Ų135.575%0.75475%0.75SS**  trans-150157.8170.2-145.615.7000109.5
691I31.6Very low33.1Very low140 Ų140130.3 Ų130.372%0.71874%0.74SS**  trans81.793.6166.7-57.8168.9000117.3
692T32.9Very low32.7Very low109 Ų109132 Ų13267%0.66974%0.743SS**  trans60137137.364.90000124
693N31.9Very low32.4Very low153 Ų153131.4 Ų131.482%0.81874%0.742SS**  trans51.7132.6139.8-51.9-4.3000118.8
694S34.6Very low32.1Very low103 Ų103132 Ų13272%0.7274%0.741SS**  cis-163.6158.728.9-145.70000113.1
695V33.1Very low32.1Very low119 Ų119130.4 Ų130.472%0.72174%0.737SS**  trans22.8121.8137.11800000116.4
696N32Very low32Very low135 Ų135131.6 Ų131.672%0.72274%0.735SS**  -160.416861-144.6-8.7000116.5
697T33.5Very low31.8Very low90 Ų90131 Ų13155%0.55274%0.735SS**  trans-31146.8168.159.40000115.6F699T697-F699 HydrophobicContact CG2-CE1 4.21Å
698K38.3Very low31.8Very low174 Ų174131.2 Ų131.276%0.75774%0.735SS**  -158.4174.552.3-72.9179.8-176.8177.50109.1
699F34.9Very low31.8Very low164 Ų164126.4 Ų126.472%0.71973%0.728SS**  cis-179.5159.6-18.2-90.3-8.5000104.1T697T697-F699 HydrophobicContact CG2-CE1 4.21Å
700S35.5Very low31.9Very low86 Ų86125 Ų12560%0.60172%0.724SS**  cis-161.1157.2-12.8-84.40000105.3
701S31.2Very low32.2Very low95 Ų95124.3 Ų124.366%0.66473%0.727SS**  cis72139.238.2840000114.1
702L31.1Very low32Very low164 Ų164123 Ų12386%0.85973%0.731SS**  cis-128.3165.617.3-79.286.5000114.8
703S29Very low32.1Very low96 Ų96123.7 Ų123.767%0.67174%0.735SS**  trans-109.7-173159.656.80000110.4
704T27.9Very low32.1Very low127 Ų127120.8 Ų120.878%0.77973%0.727SS**  trans70.6148.5-177.44.60000112.9
705V31.4Very low32Very low114 Ų114122.4 Ų122.469%0.69173%0.727SS**  cis-148.3155.326.1-105.20000113.8
706N28.4Very low32.1Very low135 Ų135121.6 Ų121.672%0.72273%0.727SS**  trans61.9116.9139.3-63.6-0.5000124.2
707S28.2Very low32Very low109 Ų109121.5 Ų121.576%0.76273%0.731SS**  88.2165.9121.6-62.40000122.5
708I31.8Very low32Very low154 Ų154122.3 Ų122.379%0.7974%0.74SS**  trans90.179.8163-48.6-171000117.6
709S31.9Very low31.6Very low109 Ų109119.6 Ų119.676%0.76274%0.743SS**  trans57147.1135.260.70000124.1
710S30.1Very low31.8Very low107 Ų107118.9 Ų118.975%0.74875%0.752SS**  trans-58.4167.4163.3-41.60000113.7
711P36.1Very low31.8Very low127 Ų127119.6 Ų119.683%0.82576%0.757SS**  -132.3164.9114.438.2-32.3000114.2
712S28.5Very low32Very low113 Ų113124.7 Ų124.779%0.7977%0.767SS**  trans-136110.5177.757.30000111.5
713T34.7Very low32.3Very low124 Ų124121.2 Ų121.276%0.76176%0.756SS**  trans-151.3110.4168.945.80000105.5
714S32.6Very low32.5Very low92 Ų92123 Ų12364%0.64376%0.757SS**  78.9149.370.1750000113.8
715D33Very low32.9Very low137 Ų137125.4 Ų125.473%0.73376%0.757SS**  trans83.2110.4158.6-51.2-52.5000121.6
716S33.5Very low33Very low101 Ų101124.7 Ų124.771%0.70676%0.757SS**  98.591.6122.8-67.30000123.1
717V29.9Very low33.5Very low134 Ų134122.7 Ų122.781%0.81275%0.754SS**  51.2159.4125.6-670000124
718S33.2Very low33.9Very low106 Ų106124.6 Ų124.674%0.74176%0.756SS**  trans74.5122-179.575.50000114.7
719S31.4Very low34Very low117 Ų117121.7 Ų121.782%0.81875%0.749SS**  cis85.685.119.4-41.80000116
720V37.6Very low34.1Very low150 Ų150123.5 Ų123.591%0.90976%0.756SS**  trans-132.4141.3153.6-176.60000108.5
721S36.5Very low34.1Very low101 Ų101124.4 Ų124.471%0.70676%0.757SS**  trans-137.1155.8-174.954.90000111.5
722K36Very low34.1Very low202 Ų202124.5 Ų124.588%0.87876%0.761SS**  trans166149.9160.7-92.2146.8-167.6178.90109.7
723S36Very low34.4Very low90 Ų90126 Ų12663%0.62976%0.755SS**  cis-175.8146.5-11.148.10000113.6
724L35Very low34.4Very low133 Ų133126.9 Ų126.970%0.69676%0.76SS**  trans67.3154154.5-60.1156.1000117.1
725F35.2Very low34.4Very low178 Ų178129.3 Ų129.378%0.78176%0.759SS**  cis-128.4142.56.6-75.8-92.2000109.4
726S34.5Very low34.4Very low99 Ų99133 Ų13369%0.69276%0.764SS**  59.9135.778.7-55.50000115.4
727S37.8Very low34.6Very low94 Ų94135.8 Ų135.866%0.65777%0.766SS**  cis-172.9170.3-5.945.20000112.7
728N36Very low34.5Very low148 Ų148136.9 Ų136.979%0.79177%0.767SS**  trans83.2149.6160.5-60.8-6.5000119.8
729S34.2Very low34.7Very low93 Ų93138.7 Ų138.765%0.6577%0.768SS**  cis172.5125.5-44.5480000110.7
730T35.1Very low35Very low148 Ų148139.2 Ų139.291%0.90877%0.767SS**  trans-179.9145.2140.524.50000111
731T29Very low34.9Very low126 Ų126137.9 Ų137.977%0.77376%0.761SS**  trans-142.7138.1179-570000109.9
732S36Very low34.9Very low128 Ų128142.9 Ų142.990%0.89577%0.773SS**  trans-121.2125.4167.3-66.10000110
733Q34.8Very low34.8Very low146 Ų146142.7 Ų142.768%0.68277%0.772SS**  trans-99.8150.1173.1-66.2-173.37.800110.7
734V35Very low34.6Very low141 Ų141144.3 Ų144.386%0.85578%0.782SS**  trans-128.5127.8156.5-179.70000107.6
735K32.6Very low34.6Very low144 Ų144142.4 Ų142.463%0.62678%0.78SS**  trans-120.8133.7175.7-65.8176.9-179.51760109.5
736Y33.6Very low34.6Very low215 Ų215140.2 Ų140.284%0.84378%0.781SS**  trans-150100.7146.2-76.9-69.7000106.6
737H36.8Very low34.7Very low158 Ų158142.2 Ų142.273%0.73178%0.783SS**  7310487.2-91.3-79.1000114.5
738N28.5Very low34.6Very low158 Ų158144.9 Ų144.985%0.84579%0.79SS**  trans-92.9145.7161.6-71.2-23.7000109.7
739N36.5Very low34.2Very low143 Ų143145 Ų14577%0.76579%0.79SS**  trans-141.4108.4163.3-91.8-13.2000106.5
740T38.1Very low34.3Very low128 Ų128146.2 Ų146.279%0.78580%0.796SS**  68.1124.3106.341.40000115.9
741P36.1Very low34.2Very low122 Ų122146.5 Ų146.579%0.79279%0.79SS**  trans-101.2144.4-178.437.7-32.2000113.6
742E37.1Very low34.4Very low206 Ų206146.5 Ų146.596%0.96379%0.793SS**  trans-138-177.4161.6-76.8-147.7137.600111.8
743K33.1Very low34.1Very low198 Ų198146 Ų14686%0.86179%0.789SS**  trans-143113-140.1169.3-165.7176.1-173.60112.6
744C31.7Very low33.9Very low124 Ų124146.1 Ų146.184%0.83880%0.8SS**  trans175.6160.5152.7-93.90000110.7
745S34.5Very low33.8Very low93 Ų93145 Ų14565%0.6580%0.798SS**  cis-175.6148.1-33.653.10000111.7
746V36.7Very low33.9Very low133 Ų133147.1 Ų147.181%0.80681%0.81SS**  trans73.3146.3159.2-140.20000120.4
747I35.2Very low33.9Very low140 Ų140142.6 Ų142.672%0.71881%0.81SS**  trans94.889.9159.3-48.7-172.9000118.7
748N35.2Very low33.6Very low151 Ų151140.5 Ų140.581%0.80781%0.811SS**  trans76.3105.9140.6-58.10.3000122
749D28Very low33.9Very low150 Ų150139.1 Ų139.180%0.80281%0.811SS**  trans-69.5169.2155.1-45.9-93.8000112.5
750P36.1Very low33.9Very low118 Ų118137.9 Ų137.977%0.76681%0.814SS**  -142.213381.835.5-18.7000116.9
751I33.7Very low33.8Very low154 Ų154140.8 Ų140.879%0.7982%0.818SS**  trans45.7122.4131.9-53.4176.2000118.8
752P32.3Very low33.9Very low127 Ų127142.8 Ų142.883%0.82582%0.821SS**  trans-85.5151.2-174.135.1-36.8000115.1
753S31.2Very low33.8Very low117 Ų117138.9 Ų138.982%0.81881%0.807SS**  trans-148.2149.2162.463.50000113.2
754T29.5Very low33.9Very low148 Ų148133.8 Ų133.891%0.90880%0.801SS**  trans-60.8140.9-170.5440000116
755S34.2Very low34.6Very low117 Ų117132.9 Ų132.982%0.81880%0.796SS**  trans-142.7146159.665.10000111.7
756H32.9Very low35.3Very low190 Ų190136.6 Ų136.688%0.8880%0.803SS**PPolyproline II helixtrans-76.3132.1-167.8-65.8-91.6000113.9
757S35.5Very low36.1Very low119 Ų119133.4 Ų133.483%0.83279%0.786SS**PPolyproline II helixtrans-63.7137.8159.7-400000110.6
758C29.7Very low37.6Very low114 Ų114132.7 Ų132.777%0.7778%0.783SS**PPolyproline II helixtrans-74.2150177.2-68.90000111.7S760C758-S760 PolarHBondContact O-N 2.84Å
759P33.6Very low39.9Very low129 Ų129126.7 Ų126.784%0.83875%0.75SS**PPolyproline II helixtrans-64.8130.9167.5-16.230.4000110.4
760S37.9Very low42.6Very low117 Ų117122 Ų12282%0.81873%0.728SS**PPolyproline II helixtrans-63.1165.8-179.2-51.80000113.6C758C758-S760 PolarHBondContact O-N 2.84Å
761E35.2Very low45Very low190 Ų190121.6 Ų121.689%0.88873%0.726SS**PPolyproline II helixtrans-65.4145.3-168.7-59.8175.5140.500113.2
762I39Very low47.5Very low163 Ų163121.6 Ų121.684%0.83672%0.722SS**PPolyproline II helixtrans-82.6120.2173.9-61.6173.1000107.8A764I762-A764 PolarHBondContact O-N 3.44Å; I762-A764 VanDerWaalsContact O-N 3.14Å
763N34Very low50.2Low125 Ų125117.5 Ų117.567%0.66870%0.697SS**  trans-41.1116.8179.3-77.2-13.1000112.5S765N763-S765 PolarHBondContact O-N 2.9Å
764A36.2Very low52.9Low90 Ų90113.4 Ų113.474%0.74467%0.665SS**  trans-75.8-5.8-16900000114.7I762 H766I762-A764 PolarHBondContact O-N 3.44Å; I762-A764 VanDerWaalsContact O-N 3.14Å; A764-H766 PolarHBondContact O-N 2.93Å
765S46.7Very low55.8Low105 Ų105113.1 Ų113.173%0.73465%0.654SS**THydrogen-bonded Turntrans-70.82.9-163.449.20000117N763N763-S765 PolarHBondContact O-N 2.9Å
766H48.7Very low58.5Low171 Ų171113.9 Ų113.979%0.79264%0.639SS**THydrogen-bonded Turntrans-142.219.4-179.6-112.5-61.5000115.4A764 N768A764-H766 PolarHBondContact O-N 2.93Å; H766-N768 PolarHBondContact O-N 3.4Å
767C52.5Low61.3Low66 Ų66105.2 Ų105.245%0.44660%0.599SS.*  trans-84.993.7-172.3-150.70000113.9W769C767-W769 PolarHBondContact O-N 2.8Å
768N68.3Low64.1Low125 Ų125104.2 Ų104.267%0.66858%0.58SS**  trans-71.734.9173.4-74.4-11.1000114.4H766H766-N768 PolarHBondContact O-N 3.4Å
769W82.4Confident67.1Low26 Ų26101.9 Ų101.910%0.09857%0.565CS.*SBendtrans-134.6120.9-174.4-74.985.6000110.9C767 L774 V777 I810 I811 K813 V818C767-W769 PolarHBondContact O-N 2.8Å; W769-L774 HydrophobicContact CB-CD1 4.25Å; W769-V777 HydrophobicContact CE3-CG2 4.47Å; W769-V777 HydrophobicContact CH2-CG2 3.94Å; W769-V777 HydrophobicContact CZ3-CG2 3.56Å; W769-I810 HydrophobicContact CH2-CG2 3.68Å; W769-I810 HydrophobicContact CZ2-CG2 3.82Å; W769-I810 WeakPolarHBondContact CZ2-O 3.21Å; W769-I811 PolarHBondContact NE1-O 3.05Å; W769-K813 WeakPolarHBondContact CZ2-O 3.17Å; W769-K813 PolarHBondContact NE1-O 3.05Å; W769-K813 VanDerWaalsContact NE1-O 3.08Å; W769-V818 HydrophobicContact CH2-CB 3.9Å; W769-V818 HydrophobicContact CH2-CG1 4.19Å; W769-V818 HydrophobicContact CH2-CG2 3.81Å; W769-V818 HydrophobicContact CZ2-CG2 3.96Å
770S84.8Confident69.9Low51 Ų5196.9 Ų96.936%0.35753%0.532SS..  trans-65149.8170.772.20000110.8E772 S773 L774S770-E772 PolarHBondContact O-N 3.05Å; S770-S773 WeakPolarHBondContact O-CB 3.42Å; S770-S773 PolarHBondContact O-N 2.8Å; S770-S773 WeakPolarHBondContact OG-CB 3.2Å; S770-S773 PolarHBondContact OG-N 2.81Å; S770-S773 PolarHBondContact OG-OG 2.68Å; S770-L774 PolarHBondContact O-N 3.32Å
771P85.9Confident72.5Confident109 Ų10991.3 Ų91.371%0.70849%0.493SS*.Hα-helixtrans-53.3-40.8177.9-28.135.8000112.7L774 Q775P771-L774 PolarHBondContact O-N 3.28Å; P771-Q775 VanDerWaalsContact O-CB 3.31Å; P771-Q775 WeakPolarHBondContact O-CB 3.39Å; P771-Q775 PolarHBondContact O-N 3.02Å
772E87.3Confident75.2Confident155 Ų15589.4 Ų89.472%0.72448%0.482SS*.Hα-helixtrans-61.8-45.9175.3-58-177.7147.800112.7S770 L774 Q775 R776S770-E772 PolarHBondContact O-N 3.05Å; E772-L774 VanDerWaalsContact C-N 3.29Å; E772-L774 PolarHBondContact O-N 2.91Å; E772-Q775 PolarHBondContact O-N 2.87Å; E772-R776 WeakPolarHBondContact O-CB 3.39Å; E772-R776 PolarHBondContact O-N 3.15Å
773S87.9Confident77.8Confident41 Ų4188.2 Ų88.229%0.28747%0.472SS..Hα-helixtrans-61.4-40.9177.1-61.40000111.2S770 R776 V777S770-S773 WeakPolarHBondContact O-CB 3.42Å; S770-S773 PolarHBondContact O-N 2.8Å; S770-S773 WeakPolarHBondContact OG-CB 3.2Å; S770-S773 PolarHBondContact OG-N 2.81Å; S770-S773 PolarHBondContact OG-OG 2.68Å; S773-R776 WeakPolarHBondContact O-CB 3.45Å; S773-R776 PolarHBondContact O-N 3.11Å; S773-V777 WeakPolarHBondContact O-CG2 3.41Å; S773-V777 PolarHBondContact O-N 3.15Å
774L89.5Confident80.5Confident30 Ų3085 Ų8516%0.15745%0.453CS..Hα-helixtrans-72.3-33179.2-162.7149000111.5W769 S770 P771 E772 K778 I811W769-L774 HydrophobicContact CB-CD1 4.25Å; S770-L774 PolarHBondContact O-N 3.32Å; P771-L774 PolarHBondContact O-N 3.28Å; E772-L774 VanDerWaalsContact C-N 3.29Å; E772-L774 PolarHBondContact O-N 2.91Å; L774-K778 HydrophobicContact CD2-CD 3.81Å; L774-K778 HydrophobicContact CD2-CG 4.4Å; L774-K778 VanDerWaalsContact CD2-NZ 3.25Å; L774-K778 WeakPolarHBondContact O-CB 3.47Å; L774-K778 WeakPolarHBondContact O-CG 3.45Å; L774-K778 PolarHBondContact O-N 3.44Å; L774-I811 HydrophobicContact CD1-CD1 4.11Å; L774-I811 HydrophobicContact CD1-CG1 4.31Å
775Q89.1Confident83.1Confident142 Ų14280.9 Ų80.966%0.66442%0.418SS*.Hα-helixtrans-69.7-37.8170.9-176.8165-2500112.2P771 E772 K778 S779P771-Q775 VanDerWaalsContact O-CB 3.31Å; P771-Q775 WeakPolarHBondContact O-CB 3.39Å; P771-Q775 PolarHBondContact O-N 3.02Å; E772-Q775 PolarHBondContact O-N 2.87Å; Q775-K778 PolarHBondContact O-N 3.28Å; Q775-S779 WeakPolarHBondContact O-CB 3.49Å; Q775-S779 PolarHBondContact O-N 2.84Å; Q775-S779 PolarHBondContact O-OG 3.12Å
776R90.7Very high85.2Confident134 Ų13482.8 Ų82.851%0.50641%0.413SS..Hα-helixtrans-61.5-45.5172.2-168.8179.1-173.8-70.6-9.1111.2E772 S773 S779 T780 D820E772-R776 WeakPolarHBondContact O-CB 3.39Å; E772-R776 PolarHBondContact O-N 3.15Å; S773-R776 WeakPolarHBondContact O-CB 3.45Å; S773-R776 PolarHBondContact O-N 3.11Å; R776-S779 PolarHBondContact O-N 3.08Å; R776-S779 PolarHBondContact O-OG 2.99Å; R776-T780 WeakPolarHBondContact O-CG2 3.35Å; R776-T780 PolarHBondContact O-N 2.98Å; R776-T780 PolarHBondContact O-OG1 3.15Å; R776-D820 IonicContact CZ-OD1 3.9Å; R776-D820 IonicContact CZ-OD2 2.81Å; R776-D820 VanDerWaalsContact CZ-OD2 3.24Å; R776-D820 IonicContact NH1-OD1 3.89Å; R776-D820 PolarHBondContact NH1-OD1 2.81Å; R776-D820 IonicContact NH1-OD2 3.72Å; R776-D820 PolarHBondContact NH1-OD2 3.15Å; R776-D820 IonicContact NH2-OD1 3.71Å; R776-D820 IonicContact NH2-OD2 2.68Å; R776-D820 PolarHBondContact NH2-OD2 2.63Å
777V93Very high87Confident8 Ų877.6 Ų77.65%0.04840%0.4CS..Hα-helixtrans-61.9-46172.4167.90000111.9W769 S773 S779 T780 L781 I810 I823W769-V777 HydrophobicContact CE3-CG2 4.47Å; W769-V777 HydrophobicContact CH2-CG2 3.94Å; W769-V777 HydrophobicContact CZ3-CG2 3.56Å; S773-V777 WeakPolarHBondContact O-CG2 3.41Å; S773-V777 PolarHBondContact O-N 3.15Å; V777-S779 VanDerWaalsContact C-N 3.3Å; V777-S779 PolarHBondContact O-N 2.71Å; V777-T780 PolarHBondContact O-OG1 2.97Å; V777-L781 HydrophobicContact CG1-CD1 3.83Å; V777-L781 HydrophobicContact CG1-CG 4.34Å; V777-L781 WeakPolarHBondContact O-CB 3.38Å; V777-L781 VanDerWaalsContact O-CG 3.3Å; V777-L781 WeakPolarHBondContact O-CG 3.47Å; V777-L781 PolarHBondContact O-N 3.08Å; V777-I810 HydrophobicContact CG1-CB 4.36Å; V777-I810 HydrophobicContact CG1-CD1 4.09Å; V777-I810 HydrophobicContact CG1-CG2 3.74Å; V777-I810 HydrophobicContact CG2-CG2 3.98Å; V777-I823 HydrophobicContact CG2-CD1 4.02Å
778K93.2Very high88.7Confident97 Ų9776.6 Ų76.642%0.42239%0.388SS..Hα-helixtrans-60.2-39177.2-79.8171.3174.9166.90112L774 Q775 K782 F803 L807L774-K778 HydrophobicContact CD2-CD 3.81Å; L774-K778 HydrophobicContact CD2-CG 4.4Å; L774-K778 VanDerWaalsContact CD2-NZ 3.25Å; L774-K778 WeakPolarHBondContact O-CB 3.47Å; L774-K778 WeakPolarHBondContact O-CG 3.45Å; L774-K778 PolarHBondContact O-N 3.44Å; Q775-K778 PolarHBondContact O-N 3.28Å; K778-K782 VanDerWaalsContact O-CB 3.27Å; K778-K782 WeakPolarHBondContact O-CB 3.4Å; K778-K782 PolarHBondContact O-N 2.87Å; K778-F803 HydrophobicContact CB-CZ 4.48Å; K778-F803 HydrophobicContact CG-CZ 4.29Å; K778-L807 HydrophobicContact CG-CD1 3.91Å
779S92.3Very high89.6Confident65 Ų6572.7 Ų72.746%0.45537%0.368SS..Hα-helixtrans-73.8-42.5-17973.20000112.4Q775 R776 V777 K782 H783Q775-S779 WeakPolarHBondContact O-CB 3.49Å; Q775-S779 PolarHBondContact O-N 2.84Å; Q775-S779 PolarHBondContact O-OG 3.12Å; R776-S779 PolarHBondContact O-N 3.08Å; R776-S779 PolarHBondContact O-OG 2.99Å; V777-S779 VanDerWaalsContact C-N 3.3Å; V777-S779 PolarHBondContact O-N 2.71Å; S779-K782 PolarHBondContact O-N 3.05Å; S779-H783 WeakPolarHBondContact O-CB 3.48Å; S779-H783 PolarHBondContact O-N 3.29Å
780T92.6Very high89.8Confident24 Ų2475.6 Ų75.615%0.14739%0.392CS..Hα-helixtrans-67.8-43.8177.756.30000112R776 V777 K782 H783 H784 I823R776-T780 WeakPolarHBondContact O-CG2 3.35Å; R776-T780 PolarHBondContact O-N 2.98Å; R776-T780 PolarHBondContact O-OG1 3.15Å; V777-T780 PolarHBondContact O-OG1 2.97Å; T780-K782 VanDerWaalsContact C-N 3.32Å; T780-K782 PolarHBondContact O-N 2.92Å; T780-H783 PolarHBondContact O-N 3.1Å; T780-H783 VanDerWaalsContact O-N 3.16Å; T780-H784 PolarHBondContact O-CD2 2.75Å; T780-H784 VanDerWaalsContact O-CD2 3.23Å; T780-H784 PolarHBondContact O-N 3.23Å; T780-I823 WeakPolarHBondContact OG1-CD1 3.25Å
781L93.6Very high89.9Confident0 Ų076.2 Ų76.20%040%0.397CS..Hα-helixtrans-54.4-47.4171.7-76.9175000112V777 H783 L785 F803 S806 L807 I810 I823 V827V777-L781 HydrophobicContact CG1-CD1 3.83Å; V777-L781 HydrophobicContact CG1-CG 4.34Å; V777-L781 WeakPolarHBondContact O-CB 3.38Å; V777-L781 VanDerWaalsContact O-CG 3.3Å; V777-L781 WeakPolarHBondContact O-CG 3.47Å; V777-L781 PolarHBondContact O-N 3.08Å; L781-H783 VanDerWaalsContact C-N 3.35Å; L781-H783 PolarHBondContact O-N 3.03Å; L781-L785 WeakPolarHBondContact O-CB 3.44Å; L781-L785 WeakPolarHBondContact O-CG 3.24Å; L781-L785 PolarHBondContact O-N 3.04Å; L781-F803 HydrophobicContact CB-CD2 3.82Å; L781-F803 HydrophobicContact CB-CE2 3.68Å; L781-F803 HydrophobicContact CD1-CD2 4.47Å; L781-F803 HydrophobicContact CD1-CE2 4.32Å; L781-S806 WeakPolarHBondContact CD2-OG 3.25Å; L781-L807 HydrophobicContact CD1-CB 4.03Å; L781-L807 HydrophobicContact CD1-CG 4.06Å; L781-I810 HydrophobicContact CD1-CD1 4.18Å; L781-I810 HydrophobicContact CD2-CD1 4.1Å; L781-I810 HydrophobicContact CG-CD1 4.36Å; L781-I823 HydrophobicContact CD2-CG2 3.49Å; L781-I823 VanDerWaalsContact CD2-CG2 3.49Å; L781-I823 HydrophobicContact CG-CG2 3.85Å; L781-V827 HydrophobicContact CD2-CG2 3.57Å
782K92.3Very high89.6Confident151 Ų15179.5 Ų79.566%0.65740%0.402SS*.Hα-helixtrans-66-35.9178.9-170.7174.7-177.8178.90112.1K778 S779 T780 K786 F803K778-K782 VanDerWaalsContact O-CB 3.27Å; K778-K782 WeakPolarHBondContact O-CB 3.4Å; K778-K782 PolarHBondContact O-N 2.87Å; S779-K782 PolarHBondContact O-N 3.05Å; T780-K782 VanDerWaalsContact C-N 3.32Å; T780-K782 PolarHBondContact O-N 2.92Å; K782-K786 VanDerWaalsContact O-CB 3.31Å; K782-K786 WeakPolarHBondContact O-CB 3.49Å; K782-K786 PolarHBondContact O-N 3.39Å; K782-K786 VanDerWaalsContact O-N 3.08Å; K782-F803 HydrophobicContact CB-CE2 4.32Å
783H92.1Very high89.3Confident138 Ų13878.9 Ų78.964%0.63939%0.393SS*.Hα-helixtrans-66.1-51.1175.9-177.3-100.2000112.1S779 T780 L781 K786S779-H783 WeakPolarHBondContact O-CB 3.48Å; S779-H783 PolarHBondContact O-N 3.29Å; T780-H783 PolarHBondContact O-N 3.1Å; T780-H783 VanDerWaalsContact O-N 3.16Å; L781-H783 VanDerWaalsContact C-N 3.35Å; L781-H783 PolarHBondContact O-N 3.03Å; H783-K786 WeakPolarHBondContact O-CB 3.49Å; H783-K786 PolarHBondContact O-N 3.36Å
784H91.2Very high89.2Confident58 Ų5877.3 Ų77.327%0.26938%0.382SS..Hα-helixtrans-62.5-45.9178.7-76.9-74.3000111.9T780 K786 A787 Y788 A824 V827T780-H784 PolarHBondContact O-CD2 2.75Å; T780-H784 VanDerWaalsContact O-CD2 3.23Å; T780-H784 PolarHBondContact O-N 3.23Å; H784-K786 VanDerWaalsContact C-N 3.32Å; H784-K786 PolarHBondContact O-N 2.87Å; H784-A787 WeakPolarHBondContact O-CB 3.31Å; H784-A787 PolarHBondContact O-N 3.49Å; H784-Y788 WeakPolarHBondContact O-CD2 3.19Å; H784-A824 VanDerWaalsContact CE1-CB 3.47Å; H784-A824 WeakPolarHBondContact CE1-CB 3.39Å; H784-V827 HydrophobicContact CB-CG1 4.27Å
785L91.2Very high89.1Confident2 Ų280 Ų801%0.0140%0.396CS..Hα-helixtrans-64.5-32.8178.2-75.5170.4000113.4L781 A787 Y788 V789 I802 F803 V827L781-L785 WeakPolarHBondContact O-CB 3.44Å; L781-L785 WeakPolarHBondContact O-CG 3.24Å; L781-L785 PolarHBondContact O-N 3.04Å; L785-A787 PolarHBondContact O-N 3.35Å; L785-Y788 PolarHBondContact O-N 3.25Å; L785-Y788 VanDerWaalsContact O-N 3.14Å; L785-V789 PolarHBondContact O-N 3.19Å; L785-I802 HydrophobicContact CD1-CG2 4.39Å; L785-I802 HydrophobicContact CD2-CB 4.24Å; L785-I802 HydrophobicContact CD2-CG2 3.82Å; L785-F803 HydrophobicContact CD1-CB 3.72Å; L785-F803 HydrophobicContact CD1-CD2 4.05Å; L785-F803 HydrophobicContact CD1-CG 4.4Å; L785-V827 HydrophobicContact CD2-CG1 3.78Å; L785-V827 HydrophobicContact CG-CG1 4.06Å
786K89.8Confident89Confident145 Ų14581.4 Ų81.463%0.6340%0.4SS*.Hα-helixtrans-57.5-36.4174.9-172.7177.3179.7-175.90111.9K782 H783 H784 Y788 V789 S790K782-K786 VanDerWaalsContact O-CB 3.31Å; K782-K786 WeakPolarHBondContact O-CB 3.49Å; K782-K786 PolarHBondContact O-N 3.39Å; K782-K786 VanDerWaalsContact O-N 3.08Å; H783-K786 WeakPolarHBondContact O-CB 3.49Å; H783-K786 PolarHBondContact O-N 3.36Å; H784-K786 VanDerWaalsContact C-N 3.32Å; H784-K786 PolarHBondContact O-N 2.87Å; K786-Y788 PolarHBondContact O-N 3.4Å; K786-V789 PolarHBondContact O-N 2.91Å; K786-S790 VanDerWaalsContact O-CB 3.26Å; K786-S790 WeakPolarHBondContact O-CB 3.08Å; K786-S790 PolarHBondContact O-N 2.94Å; K786-S790 PolarHBondContact O-OG 3.13Å
787A88Confident88.9Confident62 Ų6279.5 Ų79.551%0.51240%0.397SS..Hα-helixtrans-64.6-39177.200000113.1H784 L785 S791H784-A787 WeakPolarHBondContact O-CB 3.31Å; H784-A787 PolarHBondContact O-N 3.49Å; L785-A787 PolarHBondContact O-N 3.35Å; A787-S791 WeakPolarHBondContact O-CB 3.45Å; A787-S791 PolarHBondContact O-N 2.72Å; A787-S791 VanDerWaalsContact O-N 3.14Å; A787-S791 PolarHBondContact O-OG 3.09Å
788Y88Confident88.7Confident46 Ų4680.3 Ų80.318%0.1840%0.402CS..Hα-helixtrans-74.8-35177.9-62.3-80.6000113H784 L785 K786 S791 H792 R793 I794 V827 D828 V831H784-Y788 WeakPolarHBondContact O-CD2 3.19Å; L785-Y788 PolarHBondContact O-N 3.25Å; L785-Y788 VanDerWaalsContact O-N 3.14Å; K786-Y788 PolarHBondContact O-N 3.4Å; Y788-S791 WeakPolarHBondContact CA-OG 3.42Å; Y788-S791 PolarHBondContact O-N 3.35Å; Y788-S791 PolarHBondContact O-OG 3Å; Y788-H792 PolarHBondContact O-N 3.5Å; Y788-R793 PolarHBondContact O-N 3.31Å; Y788-R793 VanDerWaalsContact O-N 3.1Å; Y788-I794 VanDerWaalsContact CB-CD1 3.43Å; Y788-I794 HydrophobicContact CG-CD1 4.05Å; Y788-V827 HydrophobicContact CD2-CG1 4.31Å; Y788-V827 HydrophobicContact CE2-CG1 3.91Å; Y788-D828 PolarHBondContact OH-OD1 3.38Å; Y788-V831 HydrophobicContact CD1-CB 4.47Å; Y788-V831 HydrophobicContact CD1-CG1 3.79Å; Y788-V831 HydrophobicContact CD1-CG2 4.2Å; Y788-V831 HydrophobicContact CD2-CG2 4Å; Y788-V831 HydrophobicContact CE1-CB 4.4Å; Y788-V831 HydrophobicContact CE1-CG1 4Å; Y788-V831 HydrophobicContact CE1-CG2 4.31Å; Y788-V831 HydrophobicContact CE2-CG2 4.13Å; Y788-V831 HydrophobicContact CG-CG1 4.33Å; Y788-V831 HydrophobicContact CG-CG2 4.04Å
789V87.6Confident88.7Confident42 Ų4276.9 Ų76.926%0.25539%0.39SS..Hα-helixtrans-68.7-45.1172.91760000110.8L785 K786 S791 H792 C799L785-V789 PolarHBondContact O-N 3.19Å; K786-V789 PolarHBondContact O-N 2.91Å; V789-S791 PolarHBondContact O-N 2.91Å; V789-H792 PolarHBondContact O-N 3.03Å; V789-C799 HydrophobicContact CG2-CB 3.7Å
790S86.3Confident88.6Confident88 Ų8881.2 Ų81.262%0.61540%0.396SS*.Hα-helixtrans-66.9-16.6176.5-69.50000114.2K786K786-S790 VanDerWaalsContact O-CB 3.26Å; K786-S790 WeakPolarHBondContact O-CB 3.08Å; K786-S790 PolarHBondContact O-N 2.94Å; K786-S790 PolarHBondContact O-OG 3.13Å
791S85.7Confident88.5Confident64 Ų6483.2 Ų83.245%0.44841%0.406SS..THydrogen-bonded Turntrans-98.111.8171.553.10000113.6A787 Y788 V789 R793A787-S791 WeakPolarHBondContact O-CB 3.45Å; A787-S791 PolarHBondContact O-N 2.72Å; A787-S791 VanDerWaalsContact O-N 3.14Å; A787-S791 PolarHBondContact O-OG 3.09Å; Y788-S791 WeakPolarHBondContact CA-OG 3.42Å; Y788-S791 PolarHBondContact O-N 3.35Å; Y788-S791 PolarHBondContact O-OG 3Å; V789-S791 PolarHBondContact O-N 2.91Å; S791-R793 PolarHBondContact O-N 2.88Å; S791-R793 VanDerWaalsContact O-N 3.09Å
792H79.2Confident88.4Confident178 Ų17883.3 Ų83.382%0.82441%0.406SS*.THydrogen-bonded Turntrans53.924.3179.9-73.9-83000114.9Y788 V789Y788-H792 PolarHBondContact O-N 3.5Å; V789-H792 PolarHBondContact O-N 3.03Å
793R81.7Confident88.5Confident141 Ų14179 Ų7953%0.53239%0.388SS..SBendtrans-81.1-19.4176-69-171.8172.4-148.6-1.8113.3Y788 S791 L835Y788-R793 PolarHBondContact O-N 3.31Å; Y788-R793 VanDerWaalsContact O-N 3.1Å; S791-R793 PolarHBondContact O-N 2.88Å; S791-R793 VanDerWaalsContact O-N 3.09Å; R793-L835 WeakPolarHBondContact O-CD2 3.29Å
794I85.1Confident88.5Confident9 Ų978.9 Ų78.95%0.04639%0.388CS..SBendtrans-144.6132.1-173.4-43.8176.2000110Y788 T798 C799 I802 V831Y788-I794 VanDerWaalsContact CB-CD1 3.43Å; Y788-I794 HydrophobicContact CG-CD1 4.05Å; I794-T798 HydrophobicContact CG2-CG2 3.67Å; I794-C799 HydrophobicContact CG2-CB 4.42Å; I794-I802 HydrophobicContact CD1-CD1 4.07Å; I794-I802 HydrophobicContact CG2-CD1 4.35Å; I794-V831 HydrophobicContact CD1-CB 4.11Å; I794-V831 HydrophobicContact CD1-CG1 3.69Å; I794-V831 HydrophobicContact CD1-CG2 3.43Å; I794-V831 VanDerWaalsContact CD1-CG2 3.43Å; I794-V831 HydrophobicContact CG1-CG1 4.17Å
795D87.6Confident88.5Confident87 Ų8782.3 Ų82.347%0.46540%0.398SS..  trans-68.2157.6174.1-49.77.3000111.3E797 T798 C799 R838D795-E797 PolarHBondContact O-N 3.38Å; D795-E797 VanDerWaalsContact O-N 3.1Å; D795-T798 PolarHBondContact O-N 3.08Å; D795-C799 WeakPolarHBondContact O-CB 3.39Å; D795-C799 PolarHBondContact O-N 3.48Å; D795-R838 VanDerWaalsContact CG-NH1 3.25Å; D795-R838 IonicContact OD1-CZ 3.79Å; D795-R838 IonicContact OD1-NH1 3Å; D795-R838 PolarHBondContact OD1-NH1 3.13Å; D795-R838 IonicContact OD1-NH2 3.95Å; D795-R838 PolarHBondContact OD1-NH2 3.39Å; D795-R838 IonicContact OD2-CZ 2.64Å; D795-R838 IonicContact OD2-NH1 3.44Å; D795-R838 PolarHBondContact OD2-NH1 3.47Å; D795-R838 IonicContact OD2-NH2 2.71Å; D795-R838 PolarHBondContact OD2-NH2 3.19Å
796K88Confident88.6Confident170 Ų17082.2 Ų82.274%0.73940%0.398SS*.Hα-helixtrans-52.1-36.5176.7-65.8-179.1-178.8176.50112.9C799 R800K796-C799 WeakPolarHBondContact O-CB 3.46Å; K796-R800 PolarHBondContact O-N 3.34Å; K796-R800 VanDerWaalsContact O-N 3.17Å
797E89.2Confident88.8Confident94 Ų9476.4 Ų76.444%0.43937%0.373SS..Hα-helixtrans-79-42.5-177.2-16746.7-12500113.2D795 C799 R800 N801D795-E797 PolarHBondContact O-N 3.38Å; D795-E797 VanDerWaalsContact O-N 3.1Å; E797-C799 PolarHBondContact O-N 2.9Å; E797-R800 PolarHBondContact O-N 3.06Å; E797-R800 VanDerWaalsContact O-N 3.12Å; E797-R800 WeakPolarHBondContact OE2-CD 3.43Å; E797-R800 IonicContact OE2-CZ 3.73Å; E797-R800 IonicContact OE2-NH1 2.71Å; E797-R800 PolarHBondContact OE2-NH1 3.43Å; E797-N801 PolarHBondContact O-N 3Å; E797-N801 PolarHBondContact O-ND2 3.36Å; E797-N801 PolarHBondContact OE1-ND2 2.79Å
798T89.1Confident88.9Confident26 Ų2676.6 Ų76.616%0.1637%0.371CS..Hα-helixtrans-64.3-31171.9-56.90000111I794 D795 N801 I802 C834 R838I794-T798 HydrophobicContact CG2-CG2 3.67Å; D795-T798 PolarHBondContact O-N 3.08Å; T798-N801 PolarHBondContact O-N 3.16Å; T798-I802 HydrophobicContact CG2-CD1 4.08Å; T798-I802 HydrophobicContact CG2-CG1 4.48Å; T798-I802 VanDerWaalsContact O-CG1 3.31Å; T798-I802 WeakPolarHBondContact O-CG1 3.09Å; T798-I802 PolarHBondContact O-N 3.05Å; T798-C834 HydrophobicContact CG2-CB 3.99Å; T798-R838 PolarHBondContact OG1-NH2 3.04Å
799C91.3Very high89Confident24 Ų2479.2 Ų79.216%0.16238%0.383CS..Hα-helixtrans-61.8-43.2169.8-178.70000113.1V789 I794 D795 K796 E797 F803V789-C799 HydrophobicContact CG2-CB 3.7Å; I794-C799 HydrophobicContact CG2-CB 4.42Å; D795-C799 WeakPolarHBondContact O-CB 3.39Å; D795-C799 PolarHBondContact O-N 3.48Å; K796-C799 WeakPolarHBondContact O-CB 3.46Å; E797-C799 PolarHBondContact O-N 2.9Å; C799-F803 WeakPolarHBondContact O-CB 3.44Å; C799-F803 PolarHBondContact O-N 3.33Å
800R90.7Very high89.2Confident157 Ų15777.4 Ų77.459%0.59237%0.372SS*.Hα-helixtrans-61.8-46.2174.4-71.7-176.5-177.2122.2-7.2111.5K796 E797 I802 F803 Q804K796-R800 PolarHBondContact O-N 3.34Å; K796-R800 VanDerWaalsContact O-N 3.17Å; E797-R800 PolarHBondContact O-N 3.06Å; E797-R800 VanDerWaalsContact O-N 3.12Å; E797-R800 WeakPolarHBondContact OE2-CD 3.43Å; E797-R800 IonicContact OE2-CZ 3.73Å; E797-R800 IonicContact OE2-NH1 2.71Å; E797-R800 PolarHBondContact OE2-NH1 3.43Å; R800-I802 PolarHBondContact O-N 3.19Å; R800-F803 WeakPolarHBondContact O-CB 3.49Å; R800-F803 PolarHBondContact O-N 2.93Å; R800-Q804 PolarHBondContact O-N 3.11Å
801N90.9Very high89.3Confident65 Ų6576.1 Ų76.135%0.34836%0.358SS..Hα-helixtrans-61.8-41179.7-81.8-94.1000112.5E797 T798 R805E797-N801 PolarHBondContact O-N 3Å; E797-N801 PolarHBondContact O-ND2 3.36Å; E797-N801 PolarHBondContact OE1-ND2 2.79Å; T798-N801 PolarHBondContact O-N 3.16Å; N801-R805 WeakPolarHBondContact O-CB 3.34Å; N801-R805 VanDerWaalsContact O-CG 3.24Å; N801-R805 WeakPolarHBondContact O-CG 3.29Å; N801-R805 PolarHBondContact O-N 2.97Å; N801-R805 VanDerWaalsContact O-N 3.13Å
802I91.7Very high89.3Confident2 Ų279.8 Ų79.81%0.0137%0.372CS..Hα-helixtrans-67.5-43.1173.7-64.9166.8000110.6L785 I794 T798 R800 Q804 R805 S806 Y830 V831 C834L785-I802 HydrophobicContact CD1-CG2 4.39Å; L785-I802 HydrophobicContact CD2-CB 4.24Å; L785-I802 HydrophobicContact CD2-CG2 3.82Å; I794-I802 HydrophobicContact CD1-CD1 4.07Å; I794-I802 HydrophobicContact CG2-CD1 4.35Å; T798-I802 HydrophobicContact CG2-CD1 4.08Å; T798-I802 HydrophobicContact CG2-CG1 4.48Å; T798-I802 VanDerWaalsContact O-CG1 3.31Å; T798-I802 WeakPolarHBondContact O-CG1 3.09Å; T798-I802 PolarHBondContact O-N 3.05Å; R800-I802 PolarHBondContact O-N 3.19Å; I802-Q804 PolarHBondContact O-N 3.23Å; I802-R805 PolarHBondContact O-N 3.2Å; I802-S806 VanDerWaalsContact O-CB 3.3Å; I802-S806 WeakPolarHBondContact O-CB 3.45Å; I802-S806 PolarHBondContact O-N 3.14Å; I802-S806 PolarHBondContact O-OG 3.02Å; I802-Y830 HydrophobicContact CG2-CG 4.45Å; I802-V831 HydrophobicContact CD1-CG2 4.29Å; I802-C834 HydrophobicContact CD1-CB 4.2Å
803F94.3Very high89.6Confident61 Ų6175.5 Ų75.527%0.26835%0.351SS..Hα-helixtrans-57.5-50.2177.3-176.5-97.2000111.7K778 L781 K782 L785 C799 R800 S806 L807K778-F803 HydrophobicContact CB-CZ 4.48Å; K778-F803 HydrophobicContact CG-CZ 4.29Å; L781-F803 HydrophobicContact CB-CD2 3.82Å; L781-F803 HydrophobicContact CB-CE2 3.68Å; L781-F803 HydrophobicContact CD1-CD2 4.47Å; L781-F803 HydrophobicContact CD1-CE2 4.32Å; K782-F803 HydrophobicContact CB-CE2 4.32Å; L785-F803 HydrophobicContact CD1-CB 3.72Å; L785-F803 HydrophobicContact CD1-CD2 4.05Å; L785-F803 HydrophobicContact CD1-CG 4.4Å; C799-F803 WeakPolarHBondContact O-CB 3.44Å; C799-F803 PolarHBondContact O-N 3.33Å; R800-F803 WeakPolarHBondContact O-CB 3.49Å; R800-F803 PolarHBondContact O-N 2.93Å; F803-S806 WeakPolarHBondContact CA-OG 3.41Å; F803-S806 PolarHBondContact O-N 2.78Å; F803-S806 PolarHBondContact O-OG 2.98Å; F803-L807 HydrophobicContact CE1-CD1 3.8Å; F803-L807 HydrophobicContact CZ-CD1 4.03Å; F803-L807 VanDerWaalsContact O-CB 3.32Å; F803-L807 WeakPolarHBondContact O-CB 3.39Å; F803-L807 PolarHBondContact O-N 2.88Å
804Q92.2Very high89.6Confident136 Ų13671.4 Ų71.464%0.63634%0.343SS*.Hα-helixtrans-63.3-47.9179.7-169.7176.23.500112R800 I802 S806 L807 S808R800-Q804 PolarHBondContact O-N 3.11Å; I802-Q804 PolarHBondContact O-N 3.23Å; Q804-S806 VanDerWaalsContact C-N 3.35Å; Q804-S806 PolarHBondContact O-N 3.38Å; Q804-L807 PolarHBondContact O-N 2.95Å; Q804-S808 PolarHBondContact O-N 3.3Å; Q804-S808 PolarHBondContact O-OG 3.1Å
805R92.1Very high89.4Confident130 Ų13073.5 Ų73.549%0.49136%0.358SS..Hα-helixtrans-61.6-40.3179-72.1175-177.6-1660.8112.8N801 I802 K809N801-R805 WeakPolarHBondContact O-CB 3.34Å; N801-R805 VanDerWaalsContact O-CG 3.24Å; N801-R805 WeakPolarHBondContact O-CG 3.29Å; N801-R805 PolarHBondContact O-N 2.97Å; N801-R805 VanDerWaalsContact O-N 3.13Å; I802-R805 PolarHBondContact O-N 3.2Å; R805-K809 VanDerWaalsContact O-CB 3.31Å; R805-K809 WeakPolarHBondContact O-CB 3.33Å; R805-K809 PolarHBondContact O-N 2.9Å; R805-K809 VanDerWaalsContact O-N 3.13Å
806S92.7Very high89Confident0 Ų076.3 Ų76.30%037%0.368CS..Hα-helixtrans-69.7-42.417852.30000112.1L781 I802 F803 Q804 K809 I810L781-S806 WeakPolarHBondContact CD2-OG 3.25Å; I802-S806 VanDerWaalsContact O-CB 3.3Å; I802-S806 WeakPolarHBondContact O-CB 3.45Å; I802-S806 PolarHBondContact O-N 3.14Å; I802-S806 PolarHBondContact O-OG 3.02Å; F803-S806 WeakPolarHBondContact CA-OG 3.41Å; F803-S806 PolarHBondContact O-N 2.78Å; F803-S806 PolarHBondContact O-OG 2.98Å; Q804-S806 VanDerWaalsContact C-N 3.35Å; Q804-S806 PolarHBondContact O-N 3.38Å; S806-K809 PolarHBondContact O-N 3.24Å; S806-I810 WeakPolarHBondContact O-CB 3.36Å; S806-I810 WeakPolarHBondContact O-CD1 3.36Å; S806-I810 VanDerWaalsContact O-CG1 3.27Å; S806-I810 WeakPolarHBondContact O-CG1 3.42Å; S806-I810 PolarHBondContact O-N 2.98Å
807L93.1Very high88.7Confident22 Ų2273.8 Ų73.812%0.11536%0.357CS..Hα-helixtrans-61.2-48.7177.1-146.3179.8000111.2K778 L781 F803 Q804 K809 I810 I811K778-L807 HydrophobicContact CG-CD1 3.91Å; L781-L807 HydrophobicContact CD1-CB 4.03Å; L781-L807 HydrophobicContact CD1-CG 4.06Å; F803-L807 HydrophobicContact CE1-CD1 3.8Å; F803-L807 HydrophobicContact CZ-CD1 4.03Å; F803-L807 VanDerWaalsContact O-CB 3.32Å; F803-L807 WeakPolarHBondContact O-CB 3.39Å; F803-L807 PolarHBondContact O-N 2.88Å; Q804-L807 PolarHBondContact O-N 2.95Å; L807-K809 VanDerWaalsContact C-N 3.33Å; L807-K809 PolarHBondContact O-N 3.28Å; L807-I810 PolarHBondContact O-N 3.06Å; L807-I811 HydrophobicContact CD2-CD1 3.41Å; L807-I811 VanDerWaalsContact CD2-CD1 3.41Å; L807-I811 HydrophobicContact CD2-CG1 3.75Å; L807-I811 PolarHBondContact O-N 2.89Å
808S90.7Very high88.6Confident66 Ų6670.4 Ų70.446%0.46234%0.343SS..Hα-helixtrans-60.6-38.8175.4-590000112.9Q804 I810 N812Q804-S808 PolarHBondContact O-N 3.3Å; Q804-S808 PolarHBondContact O-OG 3.1Å; S808-I810 PolarHBondContact O-N 2.79Å; S808-N812 PolarHBondContact O-N 3.39Å; S808-N812 PolarHBondContact O-OD1 3.02Å
809K90.3Very high88.6Confident101 Ų10172 Ų7244%0.43935%0.353SS..Hα-helixtrans-74-10.6176.8-170.2168.4176.5-177.70113.7R805 S806 L807 K813 L826 Y830R805-K809 VanDerWaalsContact O-CB 3.31Å; R805-K809 WeakPolarHBondContact O-CB 3.33Å; R805-K809 PolarHBondContact O-N 2.9Å; R805-K809 VanDerWaalsContact O-N 3.13Å; S806-K809 PolarHBondContact O-N 3.24Å; L807-K809 VanDerWaalsContact C-N 3.33Å; L807-K809 PolarHBondContact O-N 3.28Å; K809-K813 WeakPolarHBondContact O-CE 3.49Å; K809-L826 HydrophobicContact CD-CD1 4.15Å; K809-L826 HydrophobicContact CG-CD1 4.18Å; K809-Y830 HydrophobicContact CD-CE2 4.09Å; K809-Y830 WeakPolarHBondContact CD-OH 3.31Å; K809-Y830 PolarHBondContact NZ-OH 3.13Å
810I90.9Very high88.5Confident4 Ų473.1 Ų73.12%0.02136%0.357CS..Hα-helixtrans-95.7-45.5174.3-72.2163.1000111.2W769 V777 L781 S806 L807 S808 N812 K813 V818 I823 L826W769-I810 HydrophobicContact CH2-CG2 3.68Å; W769-I810 HydrophobicContact CZ2-CG2 3.82Å; W769-I810 WeakPolarHBondContact CZ2-O 3.21Å; V777-I810 HydrophobicContact CG1-CB 4.36Å; V777-I810 HydrophobicContact CG1-CD1 4.09Å; V777-I810 HydrophobicContact CG1-CG2 3.74Å; V777-I810 HydrophobicContact CG2-CG2 3.98Å; L781-I810 HydrophobicContact CD1-CD1 4.18Å; L781-I810 HydrophobicContact CD2-CD1 4.1Å; L781-I810 HydrophobicContact CG-CD1 4.36Å; S806-I810 WeakPolarHBondContact O-CB 3.36Å; S806-I810 WeakPolarHBondContact O-CD1 3.36Å; S806-I810 VanDerWaalsContact O-CG1 3.27Å; S806-I810 WeakPolarHBondContact O-CG1 3.42Å; S806-I810 PolarHBondContact O-N 2.98Å; L807-I810 PolarHBondContact O-N 3.06Å; S808-I810 PolarHBondContact O-N 2.79Å; I810-N812 PolarHBondContact O-N 3.01Å; I810-K813 WeakPolarHBondContact O-CB 3.37Å; I810-K813 PolarHBondContact O-N 2.64Å; I810-V818 HydrophobicContact CG2-CG1 3.88Å; I810-V818 HydrophobicContact CG2-CG2 4.3Å; I810-I823 HydrophobicContact CD1-CG1 4.05Å; I810-I823 HydrophobicContact CD1-CG2 4.2Å; I810-L826 HydrophobicContact CD1-CD2 4.43Å; I810-L826 HydrophobicContact CG1-CD1 4.49Å
811I89.2Confident88.5Confident62 Ų6272.8 Ų72.832%0.31836%0.362SS..Hα-helixtrans-55.4-41.2177.7-72.3174.4000111.3W769 L774 L807 K813W769-I811 PolarHBondContact NE1-O 3.05Å; L774-I811 HydrophobicContact CD1-CD1 4.11Å; L774-I811 HydrophobicContact CD1-CG1 4.31Å; L807-I811 HydrophobicContact CD2-CD1 3.41Å; L807-I811 VanDerWaalsContact CD2-CD1 3.41Å; L807-I811 HydrophobicContact CD2-CG1 3.75Å; L807-I811 PolarHBondContact O-N 2.89Å; I811-K813 PolarHBondContact O-N 2.98Å
812N85.6Confident88.5Confident141 Ų14177 Ų7775%0.75437%0.374SS*.THydrogen-bonded Turntrans-72.111.7179.6-63.68000114.2S808 I810S808-N812 PolarHBondContact O-N 3.39Å; S808-N812 PolarHBondContact O-OD1 3.02Å; I810-N812 PolarHBondContact O-N 3.01Å
813K84.9Confident88.6Confident88 Ų8877 Ų7738%0.38337%0.373SS..SBendtrans-117.3148.3172.8-63.8-179.8-179.9-178.10109.8W769 K809 I810 I811 S815 V818W769-K813 WeakPolarHBondContact CZ2-O 3.17Å; W769-K813 PolarHBondContact NE1-O 3.05Å; W769-K813 VanDerWaalsContact NE1-O 3.08Å; K809-K813 WeakPolarHBondContact O-CE 3.49Å; I810-K813 WeakPolarHBondContact O-CB 3.37Å; I810-K813 PolarHBondContact O-N 2.64Å; I811-K813 PolarHBondContact O-N 2.98Å; K813-S815 PolarHBondContact O-N 2.88Å; K813-V818 HydrophobicContact CB-CG2 4.13Å; K813-V818 HydrophobicContact CD-CG2 4.49Å
814P81.7Confident88.4Confident55 Ų5575.2 Ų75.236%0.35737%0.37SS..  trans-64.2135171.228.6-34.7000110H816 K817P814-H816 VanDerWaalsContact C-N 3.29Å; P814-H816 PolarHBondContact O-N 3Å; P814-K817 HydrophobicContact CG-CB 4.45Å; P814-K817 HydrophobicContact CG-CD 4.01Å; P814-K817 HydrophobicContact CG-CG 4.04Å; P814-K817 PolarHBondContact O-N 2.68Å
815S81.1Confident88.4Confident52 Ų5275.5 Ų75.536%0.36437%0.369SS..G310 helixtrans-47.5-46-174.752.20000113.6K813 K817 V818K813-S815 PolarHBondContact O-N 2.88Å; S815-K817 PolarHBondContact O-N 3.28Å; S815-V818 PolarHBondContact O-N 2.77Å
816H80.2Confident88.5Confident146 Ų14670 Ų7068%0.67635%0.349SS*.G310 helixtrans-60-13.3-179.770.3-105000115.3P814P814-H816 VanDerWaalsContact C-N 3.29Å; P814-H816 PolarHBondContact O-N 3Å
817K81.1Confident88.5Confident117 Ų11770 Ų7051%0.50935%0.349SS..G310 helixtrans-963176.7-60.3-166.7-178-175.20113.8P814 S815 R822P814-K817 HydrophobicContact CG-CB 4.45Å; P814-K817 HydrophobicContact CG-CD 4.01Å; P814-K817 HydrophobicContact CG-CG 4.04Å; P814-K817 PolarHBondContact O-N 2.68Å; S815-K817 PolarHBondContact O-N 3.28Å; K817-R822 VanDerWaalsContact O-CD 3.27Å; K817-R822 WeakPolarHBondContact O-CD 3.5Å; K817-R822 PolarHBondContact O-NH1 2.79Å
818V86.4Confident88.4Confident24 Ų2471.4 Ų71.415%0.14536%0.357CS..  trans-113.587.8-172.4-172.70000111.1W769 I810 K813 S815 I823W769-V818 HydrophobicContact CH2-CB 3.9Å; W769-V818 HydrophobicContact CH2-CG1 4.19Å; W769-V818 HydrophobicContact CH2-CG2 3.81Å; W769-V818 HydrophobicContact CZ2-CG2 3.96Å; I810-V818 HydrophobicContact CG2-CG1 3.88Å; I810-V818 HydrophobicContact CG2-CG2 4.3Å; K813-V818 HydrophobicContact CB-CG2 4.13Å; K813-V818 HydrophobicContact CD-CG2 4.49Å; S815-V818 PolarHBondContact O-N 2.77Å; V818-I823 HydrophobicContact CG1-CD1 3.87Å; V818-I823 HydrophobicContact CG1-CG1 3.64Å
819T90Very high88.5Confident58 Ų5872.7 Ų72.736%0.35636%0.358SS..  trans-81.8156.7167.866.30000110.9E821 R822 I823T819-E821 PolarHBondContact O-N 2.9Å; T819-E821 PolarHBondContact OG1-OE2 2.65Å; T819-R822 WeakPolarHBondContact O-CA 3.16Å; T819-R822 WeakPolarHBondContact O-CB 2.96Å; T819-R822 PolarHBondContact O-N 2.65Å; T819-R822 WeakPolarHBondContact OG1-CG 3.15Å; T819-R822 PolarHBondContact OG1-N 2.92Å; T819-I823 PolarHBondContact O-N 3.28Å
820D89.5Confident88.6Confident48 Ų4870 Ų7026%0.25735%0.346SS..Hα-helixtrans-62.2-30.1-180-58.5-50.3000112.5R776 I823 A824R776-D820 IonicContact CZ-OD1 3.9Å; R776-D820 IonicContact CZ-OD2 2.81Å; R776-D820 VanDerWaalsContact CZ-OD2 3.24Å; R776-D820 IonicContact NH1-OD1 3.89Å; R776-D820 PolarHBondContact NH1-OD1 2.81Å; R776-D820 IonicContact NH1-OD2 3.72Å; R776-D820 PolarHBondContact NH1-OD2 3.15Å; R776-D820 IonicContact NH2-OD1 3.71Å; R776-D820 IonicContact NH2-OD2 2.68Å; R776-D820 PolarHBondContact NH2-OD2 2.63Å; D820-I823 WeakPolarHBondContact O-CB 3.15Å; D820-I823 PolarHBondContact O-N 2.85Å; D820-A824 WeakPolarHBondContact O-CB 3.32Å; D820-A824 PolarHBondContact O-N 3.47Å
821E90.4Very high88.6Confident151 Ų15169.9 Ų69.971%0.70635%0.345SS*.Hα-helixtrans-64.4-39.3172.9-55.2155.3144.300111.6T819 I823 A824 K825T819-E821 PolarHBondContact O-N 2.9Å; T819-E821 PolarHBondContact OG1-OE2 2.65Å; E821-I823 VanDerWaalsContact C-N 3.33Å; E821-A824 PolarHBondContact O-N 3.47Å; E821-K825 WeakPolarHBondContact O-CB 3.46Å; E821-K825 PolarHBondContact O-N 2.9Å
822R91.4Very high88.6Confident154 Ų15470.8 Ų70.858%0.58135%0.348SS*.Hα-helixtrans-69.7-31.9174.4-72.5175.6174.9-178.71.9111.5K817 T819 L826K817-R822 VanDerWaalsContact O-CD 3.27Å; K817-R822 WeakPolarHBondContact O-CD 3.5Å; K817-R822 PolarHBondContact O-NH1 2.79Å; T819-R822 WeakPolarHBondContact O-CA 3.16Å; T819-R822 WeakPolarHBondContact O-CB 2.96Å; T819-R822 PolarHBondContact O-N 2.65Å; T819-R822 WeakPolarHBondContact OG1-CG 3.15Å; T819-R822 PolarHBondContact OG1-N 2.92Å; R822-L826 WeakPolarHBondContact O-CB 3.27Å; R822-L826 PolarHBondContact O-N 3.27Å; R822-L826 VanDerWaalsContact O-N 3.1Å
823I92.2Very high88.9Confident1 Ų169.8 Ų69.81%0.00534%0.335CS..Hα-helixtrans-66.7-48.7170.3-59.1175.6000109.8V777 T780 L781 I810 V818 T819 D820 E821 K825 L826 V827V777-I823 HydrophobicContact CG2-CD1 4.02Å; T780-I823 WeakPolarHBondContact OG1-CD1 3.25Å; L781-I823 HydrophobicContact CD2-CG2 3.49Å; L781-I823 VanDerWaalsContact CD2-CG2 3.49Å; L781-I823 HydrophobicContact CG-CG2 3.85Å; I810-I823 HydrophobicContact CD1-CG1 4.05Å; I810-I823 HydrophobicContact CD1-CG2 4.2Å; V818-I823 HydrophobicContact CG1-CD1 3.87Å; V818-I823 HydrophobicContact CG1-CG1 3.64Å; T819-I823 PolarHBondContact O-N 3.28Å; D820-I823 WeakPolarHBondContact O-CB 3.15Å; D820-I823 PolarHBondContact O-N 2.85Å; E821-I823 VanDerWaalsContact C-N 3.33Å; I823-K825 PolarHBondContact O-N 3Å; I823-L826 PolarHBondContact O-N 3.12Å; I823-V827 WeakPolarHBondContact O-CG2 3.38Å; I823-V827 PolarHBondContact O-N 3.08Å
824A91.6Very high89Confident23 Ų2366.8 Ų66.819%0.1932%0.324CS..Hα-helixtrans-60.1-46.9-179.700000112.5H784 D820 E821 V827 D828H784-A824 VanDerWaalsContact CE1-CB 3.47Å; H784-A824 WeakPolarHBondContact CE1-CB 3.39Å; D820-A824 WeakPolarHBondContact O-CB 3.32Å; D820-A824 PolarHBondContact O-N 3.47Å; E821-A824 PolarHBondContact O-N 3.47Å; A824-V827 PolarHBondContact O-N 2.91Å; A824-D828 PolarHBondContact O-N 3.29Å
825K92.2Very high89.2Confident142 Ų14267 Ų6762%0.61732%0.322SS*.Hα-helixtrans-63.2-44.8175.6-176.3171.8-179.6174.80111.7E821 I823 V827 D828 D829E821-K825 WeakPolarHBondContact O-CB 3.46Å; E821-K825 PolarHBondContact O-N 2.9Å; I823-K825 PolarHBondContact O-N 3Å; K825-V827 VanDerWaalsContact C-N 3.25Å; K825-V827 PolarHBondContact O-N 3.41Å; K825-D828 PolarHBondContact O-N 2.96Å; K825-D828 VanDerWaalsContact O-N 3.17Å; K825-D829 WeakPolarHBondContact O-CB 3.37Å; K825-D829 VanDerWaalsContact O-CG 3.23Å; K825-D829 PolarHBondContact O-N 3.27Å
826L92.6Very high89.5Confident16 Ų1673.5 Ų73.58%0.08434%0.339CS..Hα-helixtrans-62-33.3176.8179150.2000112.2K809 I810 R822 I823 Y830K809-L826 HydrophobicContact CD-CD1 4.15Å; K809-L826 HydrophobicContact CG-CD1 4.18Å; I810-L826 HydrophobicContact CD1-CD2 4.43Å; I810-L826 HydrophobicContact CG1-CD1 4.49Å; R822-L826 WeakPolarHBondContact O-CB 3.27Å; R822-L826 PolarHBondContact O-N 3.27Å; R822-L826 VanDerWaalsContact O-N 3.1Å; I823-L826 PolarHBondContact O-N 3.12Å; L826-Y830 HydrophobicContact CD2-CD2 3.89Å; L826-Y830 HydrophobicContact CD2-CE2 3.89Å; L826-Y830 HydrophobicContact CG-CD2 4.28Å; L826-Y830 HydrophobicContact CG-CE2 4.16Å; L826-Y830 WeakPolarHBondContact O-CD2 3.26Å; L826-Y830 PolarHBondContact O-N 3.48Å
827V92.8Very high89.5Confident0 Ų072.1 Ų72.10%033%0.332CS..Hα-helixtrans-66.6-53.3170.61710000110.4L781 H784 L785 Y788 I823 A824 K825 D829 Y830 V831L781-V827 HydrophobicContact CD2-CG2 3.57Å; H784-V827 HydrophobicContact CB-CG1 4.27Å; L785-V827 HydrophobicContact CD2-CG1 3.78Å; L785-V827 HydrophobicContact CG-CG1 4.06Å; Y788-V827 HydrophobicContact CD2-CG1 4.31Å; Y788-V827 HydrophobicContact CE2-CG1 3.91Å; I823-V827 WeakPolarHBondContact O-CG2 3.38Å; I823-V827 PolarHBondContact O-N 3.08Å; A824-V827 PolarHBondContact O-N 2.91Å; K825-V827 VanDerWaalsContact C-N 3.25Å; K825-V827 PolarHBondContact O-N 3.41Å; V827-D829 VanDerWaalsContact C-N 3.35Å; V827-D829 PolarHBondContact O-N 2.73Å; V827-Y830 PolarHBondContact O-N 2.67Å; V827-Y830 VanDerWaalsContact O-N 3.08Å; V827-V831 HydrophobicContact CG1-CG2 4.13Å; V827-V831 WeakPolarHBondContact O-CG2 3.5Å; V827-V831 PolarHBondContact O-N 3.32Å
828D91.9Very high89Confident50 Ų5072.5 Ų72.527%0.26733%0.331SS..Hα-helixtrans-59.6-43-179.6-165.857.1000111.8Y788 A824 K825 Y830 V831 Q832Y788-D828 PolarHBondContact OH-OD1 3.38Å; A824-D828 PolarHBondContact O-N 3.29Å; K825-D828 PolarHBondContact O-N 2.96Å; K825-D828 VanDerWaalsContact O-N 3.17Å; D828-Y830 VanDerWaalsContact C-N 3.27Å; D828-Y830 PolarHBondContact O-N 2.79Å; D828-V831 CarbonylContact O-C 3.55Å; D828-V831 WeakPolarHBondContact O-CA 3.34Å; D828-V831 WeakPolarHBondContact O-CB 3.4Å; D828-V831 PolarHBondContact O-N 2.87Å; D828-Q832 VanDerWaalsContact O-CG 3.25Å; D828-Q832 WeakPolarHBondContact O-CG 3.07Å; D828-Q832 PolarHBondContact O-N 3.43Å; D828-Q832 PolarHBondContact OD1-NE2 3.01Å; D828-Q832 PolarHBondContact OD2-NE2 2.92Å
829D92.5Very high87Confident93 Ų9380 Ų8050%0.49738%0.377SS..Hα-helixtrans-51.3-45173.6-69.8-27000111.8K825 V827 Y833K825-D829 WeakPolarHBondContact O-CB 3.37Å; K825-D829 VanDerWaalsContact O-CG 3.23Å; K825-D829 PolarHBondContact O-N 3.27Å; V827-D829 VanDerWaalsContact C-N 3.35Å; V827-D829 PolarHBondContact O-N 2.73Å; D829-Y833 WeakPolarHBondContact O-CB 3.2Å; D829-Y833 PolarHBondContact O-N 3.09Å
830Y92.6Very high86.9Confident45 Ų4581.1 Ų81.118%0.17638%0.378CS..Hα-helixtrans-71.6-33.8175.6-84.1-57.7000113.6I802 K809 L826 V827 D828 C834I802-Y830 HydrophobicContact CG2-CG 4.45Å; K809-Y830 HydrophobicContact CD-CE2 4.09Å; K809-Y830 WeakPolarHBondContact CD-OH 3.31Å; K809-Y830 PolarHBondContact NZ-OH 3.13Å; L826-Y830 HydrophobicContact CD2-CD2 3.89Å; L826-Y830 HydrophobicContact CD2-CE2 3.89Å; L826-Y830 HydrophobicContact CG-CD2 4.28Å; L826-Y830 HydrophobicContact CG-CE2 4.16Å; L826-Y830 WeakPolarHBondContact O-CD2 3.26Å; L826-Y830 PolarHBondContact O-N 3.48Å; V827-Y830 PolarHBondContact O-N 2.67Å; V827-Y830 VanDerWaalsContact O-N 3.08Å; D828-Y830 VanDerWaalsContact C-N 3.27Å; D828-Y830 PolarHBondContact O-N 2.79Å; Y830-C834 WeakPolarHBondContact O-CB 3.49Å; Y830-C834 PolarHBondContact O-N 3.12Å
831V90.7Very high86.7Confident1 Ų182.8 Ų82.81%0.00638%0.384CS..Hα-helixtrans-65.9-49.4174.2175.20000110.6Y788 I794 I802 V827 D828 Y833 C834 L835Y788-V831 HydrophobicContact CD1-CB 4.47Å; Y788-V831 HydrophobicContact CD1-CG1 3.79Å; Y788-V831 HydrophobicContact CD1-CG2 4.2Å; Y788-V831 HydrophobicContact CD2-CG2 4Å; Y788-V831 HydrophobicContact CE1-CB 4.4Å; Y788-V831 HydrophobicContact CE1-CG1 4Å; Y788-V831 HydrophobicContact CE1-CG2 4.31Å; Y788-V831 HydrophobicContact CE2-CG2 4.13Å; Y788-V831 HydrophobicContact CG-CG1 4.33Å; Y788-V831 HydrophobicContact CG-CG2 4.04Å; I794-V831 HydrophobicContact CD1-CB 4.11Å; I794-V831 HydrophobicContact CD1-CG1 3.69Å; I794-V831 HydrophobicContact CD1-CG2 3.43Å; I794-V831 VanDerWaalsContact CD1-CG2 3.43Å; I794-V831 HydrophobicContact CG1-CG1 4.17Å; I802-V831 HydrophobicContact CD1-CG2 4.29Å; V827-V831 HydrophobicContact CG1-CG2 4.13Å; V827-V831 WeakPolarHBondContact O-CG2 3.5Å; V827-V831 PolarHBondContact O-N 3.32Å; D828-V831 CarbonylContact O-C 3.55Å; D828-V831 WeakPolarHBondContact O-CA 3.34Å; D828-V831 WeakPolarHBondContact O-CB 3.4Å; D828-V831 PolarHBondContact O-N 2.87Å; V831-Y833 VanDerWaalsContact C-N 3.3Å; V831-Y833 PolarHBondContact O-N 3.12Å; V831-C834 PolarHBondContact O-N 2.86Å; V831-C834 VanDerWaalsContact O-N 3.17Å; V831-L835 HydrophobicContact CG1-CD1 3.86Å; V831-L835 HydrophobicContact CG1-CG 4.31Å; V831-L835 WeakPolarHBondContact O-CB 3.19Å; V831-L835 WeakPolarHBondContact O-CG 3.32Å; V831-L835 PolarHBondContact O-N 3.44Å
832Q89.8Confident86.5Confident81 Ų8179 Ų7938%0.37937%0.366SS..Hα-helixtrans-60.9-39.9177.8-60.4-66-10.100111D828 L835 R836D828-Q832 VanDerWaalsContact O-CG 3.25Å; D828-Q832 WeakPolarHBondContact O-CG 3.07Å; D828-Q832 PolarHBondContact O-N 3.43Å; D828-Q832 PolarHBondContact OD1-NE2 3.01Å; D828-Q832 PolarHBondContact OD2-NE2 2.92Å; Q832-L835 PolarHBondContact O-N 2.89Å; Q832-R836 VanDerWaalsContact O-CB 3.27Å; Q832-R836 WeakPolarHBondContact O-CB 3.31Å; Q832-R836 PolarHBondContact O-N 3.48Å
833Y90.4Very high86.2Confident121 Ų12174.6 Ų74.648%0.47535%0.353SS..Hα-helixtrans-60.1-50.3171.9179.8-90.6000111.9D829 V831 L835 R836 H837D829-Y833 WeakPolarHBondContact O-CB 3.2Å; D829-Y833 PolarHBondContact O-N 3.09Å; V831-Y833 VanDerWaalsContact C-N 3.3Å; V831-Y833 PolarHBondContact O-N 3.12Å; Y833-L835 VanDerWaalsContact C-N 3.31Å; Y833-L835 PolarHBondContact O-N 3.49Å; Y833-R836 PolarHBondContact O-N 3.35Å; Y833-H837 AromaticContact CD2-CD2 3.55Å; Y833-H837 AromaticContact CD2-NE2 3.83Å; Y833-H837 AromaticContact CE1-CD2 3.98Å; Y833-H837 AromaticContact CE2-CD2 3.28Å; Y833-H837 WeakPolarHBondContact CE2-CD2 3.37Å; Y833-H837 AromaticContact CE2-NE2 3.38Å; Y833-H837 WeakPolarHBondContact CE2-NE2 2.95Å; Y833-H837 AromaticContact CG-CD2 4Å; Y833-H837 AromaticContact CZ-CD2 3.51Å; Y833-H837 AromaticContact CZ-NE2 3.93Å; Y833-H837 PolarHBondContact O-CD2 3.35Å; Y833-H837 PolarHBondContact O-N 3.41Å
834C88.2Confident85.9Confident24 Ų2479.2 Ų79.216%0.16238%0.375CS..Hα-helixtrans-66-29.7178.7-78.70000113.6T798 I802 Y830 V831 R838T798-C834 HydrophobicContact CG2-CB 3.99Å; I802-C834 HydrophobicContact CD1-CB 4.2Å; Y830-C834 WeakPolarHBondContact O-CB 3.49Å; Y830-C834 PolarHBondContact O-N 3.12Å; V831-C834 PolarHBondContact O-N 2.86Å; V831-C834 VanDerWaalsContact O-N 3.17Å; C834-R838 VanDerWaalsContact O-CB 3.31Å; C834-R838 WeakPolarHBondContact O-CB 3.45Å; C834-R838 VanDerWaalsContact O-CG 3.26Å; C834-R838 WeakPolarHBondContact O-CG 3.44Å; C834-R838 PolarHBondContact O-N 3.04Å
835L85.8Confident85.5Confident61 Ų6182.9 Ų82.932%0.31939%0.387SS..Hα-helixtrans-71.9-42.3172.1-72.1171.2000111.7R793 V831 Q832 Y833 H837R793-L835 WeakPolarHBondContact O-CD2 3.29Å; V831-L835 HydrophobicContact CG1-CD1 3.86Å; V831-L835 HydrophobicContact CG1-CG 4.31Å; V831-L835 WeakPolarHBondContact O-CB 3.19Å; V831-L835 WeakPolarHBondContact O-CG 3.32Å; V831-L835 PolarHBondContact O-N 3.44Å; Q832-L835 PolarHBondContact O-N 2.89Å; Y833-L835 VanDerWaalsContact C-N 3.31Å; Y833-L835 PolarHBondContact O-N 3.49Å; L835-H837 VanDerWaalsContact C-N 3.3Å; L835-H837 PolarHBondContact O-N 3.43Å
836R86.8Confident85Confident187 Ų18778.7 Ų78.771%0.70637%0.371SS*.Hα-helixtrans-70.3-22.9-179.7-168.1-179.1-63.7-170.80.7113.7Q832 Y833Q832-R836 VanDerWaalsContact O-CB 3.27Å; Q832-R836 WeakPolarHBondContact O-CB 3.31Å; Q832-R836 PolarHBondContact O-N 3.48Å; Y833-R836 PolarHBondContact O-N 3.35Å
837H80Confident84.4Confident117 Ų11783.5 Ų83.554%0.54239%0.393SS..THydrogen-bonded Turntrans-111.718.2179.6-68-70.5000114Y833 L835Y833-H837 AromaticContact CD2-CD2 3.55Å; Y833-H837 AromaticContact CD2-NE2 3.83Å; Y833-H837 AromaticContact CE1-CD2 3.98Å; Y833-H837 AromaticContact CE2-CD2 3.28Å; Y833-H837 WeakPolarHBondContact CE2-CD2 3.37Å; Y833-H837 AromaticContact CE2-NE2 3.38Å; Y833-H837 WeakPolarHBondContact CE2-NE2 2.95Å; Y833-H837 AromaticContact CG-CD2 4Å; Y833-H837 AromaticContact CZ-CD2 3.51Å; Y833-H837 AromaticContact CZ-NE2 3.93Å; Y833-H837 PolarHBondContact O-CD2 3.35Å; Y833-H837 PolarHBondContact O-N 3.41Å; L835-H837 VanDerWaalsContact C-N 3.3Å; L835-H837 PolarHBondContact O-N 3.43Å
838R70.4Confident83.7Confident125 Ų12590.5 Ų90.547%0.47243%0.426SS..  trans-982171.1-99.1179163.4-131.4-10.5114.1D795 T798 C834D795-R838 VanDerWaalsContact CG-NH1 3.25Å; D795-R838 IonicContact OD1-CZ 3.79Å; D795-R838 IonicContact OD1-NH1 3Å; D795-R838 PolarHBondContact OD1-NH1 3.13Å; D795-R838 IonicContact OD1-NH2 3.95Å; D795-R838 PolarHBondContact OD1-NH2 3.39Å; D795-R838 IonicContact OD2-CZ 2.64Å; D795-R838 IonicContact OD2-NH1 3.44Å; D795-R838 PolarHBondContact OD2-NH1 3.47Å; D795-R838 IonicContact OD2-NH2 2.71Å; D795-R838 PolarHBondContact OD2-NH2 3.19Å; T798-R838 PolarHBondContact OG1-NH2 3.04Å; C834-R838 VanDerWaalsContact O-CB 3.31Å; C834-R838 WeakPolarHBondContact O-CB 3.45Å; C834-R838 VanDerWaalsContact O-CG 3.26Å; C834-R838 WeakPolarHBondContact O-CG 3.44Å; C834-R838 PolarHBondContact O-N 3.04Å
839T45.6Very low83Confident181 Ų18194.2 Ų94.2100%1.1144%0.44SS*.  trans-1070170.656.10000110

Retrieved 839 of 839 residues in 104.8 ms (Link to these results)

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