A0A5K4EYU0_SCHMA Loading...

Putative vacuolar membrane protein pep11

AlphaFold DB , UniProt , Accession A0A5K4EYU0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,171 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M27.8Very low60.1Low203 Ų20371 Ų71100%139%0.39SS*.  093.70-71178.6174.700107.6Y3M1-Y3 HydrophobicContact CB-CD2 3.86Å; M1-Y3 HydrophobicContact CB-CE2 3.6Å; M1-Y3 HydrophobicContact CG-CE2 4.2Å; M1-Y3 PolarHBondContact O-N 2.84Å; M1-Y3 HydrophobicContact SD-CE2 3.69Å
2A31.9Very low62.6Low84 Ų8467.2 Ų67.269%0.69437%0.366SS*.  trans-77.777.8171.100000106.8T4A2-T4 PolarHBondContact O-N 2.95Å
3Y38.6Very low64.5Low165 Ų16562 Ų6265%0.64734%0.338SS*.  trans-60.6114.7166-73.1-80.1000105.5M1 V5M1-Y3 HydrophobicContact CB-CD2 3.86Å; M1-Y3 HydrophobicContact CB-CE2 3.6Å; M1-Y3 HydrophobicContact CG-CE2 4.2Å; M1-Y3 PolarHBondContact O-N 2.84Å; M1-Y3 HydrophobicContact SD-CE2 3.69Å; Y3-V5 PolarHBondContact O-N 3.16Å
4T45.3Very low66.1Low82 Ų8264.8 Ų64.850%0.50334%0.341SS..  trans-56.893.8158.127.30000105.4A2 N6A2-T4 PolarHBondContact O-N 2.95Å; T4-N6 VanDerWaalsContact C-N 3.3Å; T4-N6 PolarHBondContact O-N 2.68Å
5V52.9Low67.4Low64 Ų6461.9 Ų61.939%0.38833%0.333SS..  trans-65.8100.8175.2-176.40000104.9Y3 T7 D21Y3-V5 PolarHBondContact O-N 3.16Å; V5-T7 VanDerWaalsContact C-N 3.28Å; V5-T7 HydrophobicContact CB-CG2 4.36Å; V5-T7 HydrophobicContact CG1-CG2 3.79Å; V5-T7 PolarHBondContact O-N 3.25Å; V5-D21 HydrophobicContact CG1-CB 3.79Å
6N64Low68.7Low61 Ų6160.9 Ų60.933%0.32633%0.326SS..  trans-75.192.6173.1-172.323.2000106.4T4 N8 D21 S22T4-N6 VanDerWaalsContact C-N 3.3Å; T4-N6 PolarHBondContact O-N 2.68Å; N6-N8 PolarHBondContact O-N 3.19Å; N6-N8 PolarHBondContact O-OD1 3.12Å; N6-N8 VanDerWaalsContact O-OD1 3.13Å; N6-D21 WeakPolarHBondContact O-CA 3.41Å; N6-S22 PolarHBondContact O-N 3.39Å; N6-S22 PolarHBondContact O-OG 3.25Å
7T68.2Low69.9Low32 Ų3257.4 Ų57.420%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-75.5116-174.653.80000109.8V5 F19 G20V5-T7 VanDerWaalsContact C-N 3.28Å; V5-T7 HydrophobicContact CB-CG2 4.36Å; V5-T7 HydrophobicContact CG1-CG2 3.79Å; V5-T7 PolarHBondContact O-N 3.25Å; T7-F19 HydrophobicContact CG2-CB 3.9Å; T7-F19 HydrophobicContact CG2-CD1 3.77Å; T7-F19 HydrophobicContact CG2-CG 4.19Å; T7-G20 CarbonylContact C-O 3.59Å; T7-G20 WeakPolarHBondContact CA-O 3.36Å
8N75Confident71Confident27 Ų2754.2 Ų54.214%0.14429%0.289CS..EExtended strand (participates in β ladder)trans-87.8-36.9179.9-77.341.9000112.3N6 G20 S22 C44 V45 F336N6-N8 PolarHBondContact O-N 3.19Å; N6-N8 PolarHBondContact O-OD1 3.12Å; N6-N8 VanDerWaalsContact O-OD1 3.13Å; N8-G20 PolarHBondContact N-O 3.13Å; N8-S22 WeakPolarHBondContact OD1-CB 3.22Å; N8-S22 PolarHBondContact OD1-N 3.18Å; N8-C44 PolarHBondContact ND2-SG 3.09Å; N8-V45 WeakPolarHBondContact CB-O 3.46Å; N8-F336 WeakPolarHBondContact O-CE2 3.45Å
9C82.1Confident71.9Confident10 Ų1052.5 Ų52.57%0.06828%0.279CS..EExtended strand (participates in β ladder)trans-147.6158.1179.360.50000110.2G20 V45 H46C9-G20 PolarHBondContact N-O 3.49Å; C9-G20 PolarHBondContact O-N 2.85Å; C9-V45 PolarHBondContact SG-O 3.15Å; C9-H46 WeakPolarHBondContact CB-O 3.41Å
10T86.6Confident72.7Confident38 Ų3849.9 Ų49.923%0.23327%0.265CS..EExtended strand (participates in β ladder)trans-141.1147.1-178.876.30000110.2W18 F19 A365 F367T10-W18 VanDerWaalsContact CA-O 3.25Å; T10-W18 WeakPolarHBondContact CA-O 3.46Å; T10-F19 HydrophobicContact CG2-CD1 3.65Å; T10-F19 HydrophobicContact CG2-CE1 4.07Å; T10-A365 HydrophobicContact CG2-CB 4.13Å; T10-F367 VanDerWaalsContact CB-CE1 3.47Å; T10-F367 HydrophobicContact CG2-CE1 4.22Å; T10-F367 HydrophobicContact CG2-CZ 3.97Å; T10-F367 VanDerWaalsContact OG1-CE1 3.28Å; T10-F367 WeakPolarHBondContact OG1-CE1 3.46Å
11T89.2Confident73.2Confident15 Ų1548 Ų489%0.09226%0.256CS..EExtended strand (participates in β ladder)trans-147.7160.5174.3-174.70000108.9W18 M48 Q50 L57T11-W18 HydrophobicContact CG2-CB 3.66Å; T11-W18 HydrophobicContact CG2-CG 4.2Å; T11-W18 PolarHBondContact N-O 2.8Å; T11-W18 WeakPolarHBondContact O-CB 3.49Å; T11-W18 PolarHBondContact O-N 3.47Å; T11-M48 WeakPolarHBondContact CB-O 3.4Å; T11-M48 HydrophobicContact CG2-CB 3.54Å; T11-M48 HydrophobicContact CG2-CE 4.28Å; T11-Q50 HydrophobicContact CG2-CB 4Å; T11-Q50 PolarHBondContact OG1-N 2.91Å; T11-Q50 VanDerWaalsContact OG1-N 3.08Å; T11-L57 HydrophobicContact CG2-CD1 3.96Å
12Y90Very high75.7Confident25 Ų2540 Ų4010%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-144.1151.7179.659.3-88.2000110.7H16 K52 E265 F367 I368Y12-H16 WeakPolarHBondContact CA-O 3.36Å; Y12-K52 PolarHBondContact O-NZ 2.87Å; Y12-E265 PolarHBondContact OH-OE2 3.1Å; Y12-F367 HydrophobicContact CD1-CB 4.36Å; Y12-F367 AromaticContact CD1-CD1 3.9Å; Y12-F367 HydrophobicContact CD1-CD1 3.9Å; Y12-F367 HydrophobicContact CG-CD1 4.43Å; Y12-I368 HydrophobicContact CD2-CB 4.4Å; Y12-I368 WeakPolarHBondContact CD2-O 3.43Å; Y12-I368 HydrophobicContact CE2-CB 3.62Å; Y12-I368 WeakPolarHBondContact CE2-O 3.33Å
13G87.1Confident78.2Confident0 Ų042.8 Ų42.80%021%0.213CC..EExtended strand (participates in β ladder)trans166.6161178.400000110.6G15 H16 E369G13-G15 PolarHBondContact O-N 3.37Å; G13-G15 VanDerWaalsContact O-N 3.16Å; G13-H16 PolarHBondContact N-O 3.48Å; G13-H16 PolarHBondContact O-N 2.9Å; G13-H16 VanDerWaalsContact O-O 3.13Å; G13-E369 WeakPolarHBondContact CA-OE2 3.42Å; G13-E369 PolarHBondContact N-OE2 2.85Å; G13-E369 VanDerWaalsContact N-OE2 3.15Å
14R86.8Confident80.5Confident101 Ų10135 Ų3538%0.38118%0.182SC..THydrogen-bonded Turntrans56.631.4175-68.6-82.2170.2132.8-25113.4H16 K52 E53 D55R14-H16 VanDerWaalsContact C-N 3.26Å; R14-H16 PolarHBondContact O-CD2 3.08Å; R14-H16 PolarHBondContact O-N 3.41Å; R14-K52 PolarHBondContact NE-O 2.75Å; R14-E53 VanDerWaalsContact NH2-CA 3.32Å; R14-E53 PolarHBondContact NH2-O 3.42Å; R14-D55 WeakPolarHBondContact CD-OD1 3.47Å; R14-D55 IonicContact CZ-OD1 3.4Å; R14-D55 IonicContact NE-OD1 3.34Å; R14-D55 IonicContact NH1-OD1 3.01Å; R14-D55 PolarHBondContact NH1-OD1 3.47Å; R14-D55 IonicContact NH1-OD2 2.69Å; R14-D55 PolarHBondContact NH1-OD2 3.05Å
15G85.5Confident82.6Confident22 Ų2234.6 Ų34.623%0.22717%0.174CC..THydrogen-bonded Turntrans75.212.1-178.500000114.5G13 E369 W370G13-G15 PolarHBondContact O-N 3.37Å; G13-G15 VanDerWaalsContact O-N 3.16Å; G15-E369 WeakPolarHBondContact CA-OE1 3.44Å; G15-E369 VanDerWaalsContact N-CD 3.32Å; G15-E369 PolarHBondContact N-OE1 2.87Å; G15-E369 PolarHBondContact N-OE2 3.29Å; G15-W370 PolarHBondContact O-NE1 3.03Å
16H88.8Confident84.4Confident46 Ų4631.5 Ų31.521%0.21316%0.155CC..EExtended strand (participates in β ladder)trans-124145.1-179.6-63.4-54.2000111.7Y12 G13 R14 R28 V29Y12-H16 WeakPolarHBondContact CA-O 3.36Å; G13-H16 PolarHBondContact N-O 3.48Å; G13-H16 PolarHBondContact O-N 2.9Å; G13-H16 VanDerWaalsContact O-O 3.13Å; R14-H16 VanDerWaalsContact C-N 3.26Å; R14-H16 PolarHBondContact O-CD2 3.08Å; R14-H16 PolarHBondContact O-N 3.41Å; H16-R28 HydrophobicContact CB-CG 3.89Å; H16-V29 WeakPolarHBondContact CA-O 3.37Å
17I89Confident85.6Confident0 Ų029.2 Ų29.20%014%0.144CC..EExtended strand (participates in β ladder)trans-108.1134.7170.1-53.6174.9000107.9F19 R28 V29 F367 W370I17-F19 HydrophobicContact CB-CE2 4.25Å; I17-F19 HydrophobicContact CG2-CD2 4.29Å; I17-F19 HydrophobicContact CG2-CE1 4.42Å; I17-F19 HydrophobicContact CG2-CE2 3.52Å; I17-F19 HydrophobicContact CG2-CZ 3.61Å; I17-R28 CarbonylContact O-C 3.54Å; I17-R28 WeakPolarHBondContact O-CA 3.35Å; I17-V29 HydrophobicContact CB-CB 4.35Å; I17-V29 PolarHBondContact N-O 2.84Å; I17-V29 PolarHBondContact O-N 3.49Å; I17-F367 HydrophobicContact CD1-CB 4.23Å; I17-F367 HydrophobicContact CD1-CD2 4.41Å; I17-F367 HydrophobicContact CD1-CG 4.22Å; I17-F367 HydrophobicContact CG2-CD1 3.55Å; I17-F367 HydrophobicContact CG2-CD2 4.26Å; I17-F367 HydrophobicContact CG2-CE1 3.54Å; I17-F367 HydrophobicContact CG2-CE2 4.25Å; I17-F367 HydrophobicContact CG2-CG 3.92Å; I17-F367 HydrophobicContact CG2-CZ 3.91Å; I17-W370 HydrophobicContact CD1-CH2 3.39Å; I17-W370 HydrophobicContact CD1-CZ2 3.87Å; I17-W370 HydrophobicContact CD1-CZ3 3.79Å; I17-W370 HydrophobicContact CG1-CH2 4.02Å; I17-W370 HydrophobicContact CG1-CZ2 3.97Å
18W90Very high86.6Confident0 Ų030 Ų300%014%0.143CC..EExtended strand (participates in β ladder)trans-118.2132-178-67.993.6000110.8T10 T11 A26 C27 R28 F38 M48 Q50 L57 L75 W78T10-W18 VanDerWaalsContact CA-O 3.25Å; T10-W18 WeakPolarHBondContact CA-O 3.46Å; T11-W18 HydrophobicContact CG2-CB 3.66Å; T11-W18 HydrophobicContact CG2-CG 4.2Å; T11-W18 PolarHBondContact N-O 2.8Å; T11-W18 WeakPolarHBondContact O-CB 3.49Å; T11-W18 PolarHBondContact O-N 3.47Å; W18-A26 HydrophobicContact CE3-CB 4.24Å; W18-A26 HydrophobicContact CZ3-CB 4.29Å; W18-C27 CarbonylContact C-O 3.53Å; W18-C27 VanDerWaalsContact CA-O 3.28Å; W18-C27 WeakPolarHBondContact CA-O 3.36Å; W18-R28 HydrophobicContact CD2-CB 4.02Å; W18-R28 HydrophobicContact CD2-CG 4.14Å; W18-R28 HydrophobicContact CE3-CB 3.69Å; W18-R28 HydrophobicContact CE3-CG 4.29Å; W18-R28 HydrophobicContact CH2-CB 3.62Å; W18-R28 HydrophobicContact CH2-CG 3.87Å; W18-R28 HydrophobicContact CZ2-CB 3.93Å; W18-R28 VanDerWaalsContact CZ2-CD 3.4Å; W18-R28 HydrophobicContact CZ2-CG 3.67Å; W18-R28 HydrophobicContact CZ3-CB 3.48Å; W18-R28 VanDerWaalsContact CZ3-CB 3.48Å; W18-R28 HydrophobicContact CZ3-CG 4.17Å; W18-F38 AromaticContact CH2-CE1 3.95Å; W18-F38 HydrophobicContact CH2-CE1 3.95Å; W18-F38 HydrophobicContact CZ3-CD1 4.15Å; W18-F38 AromaticContact CZ3-CE1 3.58Å; W18-F38 HydrophobicContact CZ3-CE1 3.58Å; W18-M48 HydrophobicContact CB-CE 3.87Å; W18-M48 HydrophobicContact CB-SD 4.4Å; W18-M48 WeakPolarHBondContact O-CE 3.31Å; W18-Q50 VanDerWaalsContact NE1-OE1 3.12Å; W18-L57 HydrophobicContact CD2-CD1 4.26Å; W18-L57 HydrophobicContact CD2-CD2 3.87Å; W18-L57 HydrophobicContact CE3-CD2 3.68Å; W18-L57 HydrophobicContact CG-CD1 4.22Å; W18-L57 HydrophobicContact CH2-CD2 3.87Å; W18-L57 HydrophobicContact CZ2-CD2 4.05Å; W18-L57 HydrophobicContact CZ3-CD2 3.68Å; W18-L75 HydrophobicContact CH2-CD1 4.47Å; W18-L75 HydrophobicContact CH2-CD2 3.69Å; W18-L75 HydrophobicContact CZ2-CD1 3.61Å; W18-L75 HydrophobicContact CZ2-CD2 3.67Å; W18-L75 HydrophobicContact CZ2-CG 4.29Å; W18-W78 HydrophobicContact CH2-CH2 4.37Å
19F87.3Confident87.2Confident22 Ų2229.1 Ų29.110%0.09614%0.139CC..EExtended strand (participates in β ladder)trans-119.6124.1174.6-59.1-88.1000109.9T7 T10 I17 C27 V29 F367 L376T7-F19 HydrophobicContact CG2-CB 3.9Å; T7-F19 HydrophobicContact CG2-CD1 3.77Å; T7-F19 HydrophobicContact CG2-CG 4.19Å; T10-F19 HydrophobicContact CG2-CD1 3.65Å; T10-F19 HydrophobicContact CG2-CE1 4.07Å; I17-F19 HydrophobicContact CB-CE2 4.25Å; I17-F19 HydrophobicContact CG2-CD2 4.29Å; I17-F19 HydrophobicContact CG2-CE1 4.42Å; I17-F19 HydrophobicContact CG2-CE2 3.52Å; I17-F19 HydrophobicContact CG2-CZ 3.61Å; F19-C27 HydrophobicContact CB-CB 4.24Å; F19-C27 PolarHBondContact N-O 3.24Å; F19-C27 PolarHBondContact O-N 3.46Å; F19-V29 HydrophobicContact CD2-CG2 3.89Å; F19-V29 HydrophobicContact CE2-CB 4.44Å; F19-V29 HydrophobicContact CE2-CG2 3.67Å; F19-F367 HydrophobicContact CD1-CZ 4.29Å; F19-F367 HydrophobicContact CE1-CE1 4.32Å; F19-F367 AromaticContact CE1-CE2 3.86Å; F19-F367 HydrophobicContact CE1-CE2 3.86Å; F19-F367 AromaticContact CE1-CZ 3.38Å; F19-F367 HydrophobicContact CE1-CZ 3.38Å; F19-F367 AromaticContact CZ-CE2 3.88Å; F19-F367 HydrophobicContact CZ-CE2 3.88Å; F19-F367 AromaticContact CZ-CZ 3.69Å; F19-F367 HydrophobicContact CZ-CZ 3.69Å; F19-L376 HydrophobicContact CE1-CD2 3.96Å; F19-L376 HydrophobicContact CZ-CD2 4.48Å
20G87.1Confident87.4Confident0 Ų030.9 Ų30.90%015%0.148CC..EExtended strand (participates in β ladder)trans-101.7127.9177.700000108T7 N8 C9 F25T7-G20 CarbonylContact C-O 3.59Å; T7-G20 WeakPolarHBondContact CA-O 3.36Å; N8-G20 PolarHBondContact N-O 3.13Å; C9-G20 PolarHBondContact N-O 3.49Å; C9-G20 PolarHBondContact O-N 2.85Å; G20-F25 WeakPolarHBondContact CA-O 3.34Å
21D83.4Confident87.3Confident12 Ų1237.7 Ų37.76%0.06417%0.169CC..EExtended strand (participates in β ladder)trans-102.1173.4-178.1776.5000113V5 N6 Y23 G24 F25 V45V5-D21 HydrophobicContact CG1-CB 3.79Å; N6-D21 WeakPolarHBondContact O-CA 3.41Å; D21-Y23 PolarHBondContact O-N 2.89Å; D21-Y23 VanDerWaalsContact OD1-C 3.25Å; D21-Y23 WeakPolarHBondContact OD1-CA 3.33Å; D21-Y23 PolarHBondContact OD1-N 2.65Å; D21-G24 PolarHBondContact OD1-N 2.79Å; D21-F25 PolarHBondContact N-O 3Å; D21-F25 PolarHBondContact OD1-N 3.4Å; D21-V45 PolarHBondContact O-N 3.33Å
22S81.5Confident87Confident33 Ų3339.2 Ų39.223%0.23119%0.188CC..THydrogen-bonded Turntrans-771.5175.332.90000114.1N6 N8 S43N6-S22 PolarHBondContact O-N 3.39Å; N6-S22 PolarHBondContact O-OG 3.25Å; N8-S22 WeakPolarHBondContact OD1-CB 3.22Å; N8-S22 PolarHBondContact OD1-N 3.18Å; S22-S43 CarbonylContact C-O 3.55Å
23Y84.4Confident86.5Confident144 Ų14442.9 Ų42.957%0.56521%0.209SC*.THydrogen-bonded Turntrans-108.95.8176.4-57.5-69.9000112.5D21 S43D21-Y23 PolarHBondContact O-N 2.89Å; D21-Y23 VanDerWaalsContact OD1-C 3.25Å; D21-Y23 WeakPolarHBondContact OD1-CA 3.33Å; D21-Y23 PolarHBondContact OD1-N 2.65Å; Y23-S43 CarbonylContact C-O 3.6Å; Y23-S43 WeakPolarHBondContact CA-O 3.5Å; Y23-S43 PolarHBondContact N-O 3.45Å
24G86.2Confident86.3Confident0 Ų048.8 Ų48.80%024%0.236CC..SBendtrans85.87.117600000114.5D21 A40 H41 S43D21-G24 PolarHBondContact OD1-N 2.79Å; G24-A40 PolarHBondContact O-N 3.44Å; G24-H41 WeakPolarHBondContact CA-O 3.35Å; G24-H41 PolarHBondContact O-N 3.15Å; G24-S43 PolarHBondContact N-O 2.97Å
25F90.2Very high86.2Confident74 Ų7449.6 Ų49.633%0.32525%0.247SC..EExtended strand (participates in β ladder)trans-85.8142.7175-69-96.8000112.1G20 D21 F38 Q39G20-F25 WeakPolarHBondContact CA-O 3.34Å; D21-F25 PolarHBondContact N-O 3Å; D21-F25 PolarHBondContact OD1-N 3.4Å; F25-F38 CarbonylContact C-O 3.54Å; F25-F38 WeakPolarHBondContact CA-O 3.38Å; F25-Q39 HydrophobicContact CD1-CB 4.09Å; F25-Q39 HydrophobicContact CE1-CB 3.84Å; F25-Q39 HydrophobicContact CE1-CG 4.5Å; F25-Q39 HydrophobicContact CZ-CB 4.18Å; F25-Q39 HydrophobicContact CZ-CG 4.4Å
26A90.6Very high86.3Confident0 Ų050.1 Ų50.10%025%0.245CC..EExtended strand (participates in β ladder)trans-109114.3167.900000108.8W18 S37 F38 A40 M48W18-A26 HydrophobicContact CE3-CB 4.24Å; W18-A26 HydrophobicContact CZ3-CB 4.29Å; A26-S37 WeakPolarHBondContact O-CA 3.44Å; A26-F38 HydrophobicContact CB-CD1 4.29Å; A26-F38 HydrophobicContact CB-CE1 3.81Å; A26-F38 HydrophobicContact CB-CZ 3.98Å; A26-F38 PolarHBondContact N-O 2.83Å; A26-F38 PolarHBondContact O-N 2.83Å; A26-F38 VanDerWaalsContact O-N 3.07Å; A26-A40 HydrophobicContact CB-CB 4.14Å; A26-M48 HydrophobicContact CB-SD 4.11Å
27C89Confident86.2Confident13 Ų1351 Ų519%0.08826%0.257CS..EExtended strand (participates in β ladder)trans-99.2114.9-179.8-65.70000110.1W18 F19 I35 T36 S37W18-C27 CarbonylContact C-O 3.53Å; W18-C27 VanDerWaalsContact CA-O 3.28Å; W18-C27 WeakPolarHBondContact CA-O 3.36Å; F19-C27 HydrophobicContact CB-CB 4.24Å; F19-C27 PolarHBondContact N-O 3.24Å; F19-C27 PolarHBondContact O-N 3.46Å; C27-I35 HydrophobicContact CB-CG2 4.4Å; C27-T36 CarbonylContact C-O 3.53Å; C27-S37 WeakPolarHBondContact SG-CB 3.1Å
28R88.9Confident86.4Confident47 Ų4751.3 Ų51.318%0.17726%0.258CS..EExtended strand (participates in β ladder)trans-91.3130.7172.9-170.6178.161.1164.6-5.1110.8H16 I17 W18 I35 T36H16-R28 HydrophobicContact CB-CG 3.89Å; I17-R28 CarbonylContact O-C 3.54Å; I17-R28 WeakPolarHBondContact O-CA 3.35Å; W18-R28 HydrophobicContact CD2-CB 4.02Å; W18-R28 HydrophobicContact CD2-CG 4.14Å; W18-R28 HydrophobicContact CE3-CB 3.69Å; W18-R28 HydrophobicContact CE3-CG 4.29Å; W18-R28 HydrophobicContact CH2-CB 3.62Å; W18-R28 HydrophobicContact CH2-CG 3.87Å; W18-R28 HydrophobicContact CZ2-CB 3.93Å; W18-R28 VanDerWaalsContact CZ2-CD 3.4Å; W18-R28 HydrophobicContact CZ2-CG 3.67Å; W18-R28 HydrophobicContact CZ3-CB 3.48Å; W18-R28 VanDerWaalsContact CZ3-CB 3.48Å; W18-R28 HydrophobicContact CZ3-CG 4.17Å; R28-I35 CarbonylContact O-C 3.57Å; R28-I35 WeakPolarHBondContact O-CA 3.39Å; R28-T36 PolarHBondContact N-O 3.48Å; R28-T36 PolarHBondContact NE-OG1 2.7Å; R28-T36 VanDerWaalsContact NE-OG1 3.09Å; R28-T36 PolarHBondContact NH2-OG1 3.01Å; R28-T36 PolarHBondContact O-N 2.94Å
29V87.1Confident86.4Confident10 Ų1055.7 Ų55.76%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-116.8128.5174.1-173.30000109H16 I17 F19 L33 H34 I35H16-V29 WeakPolarHBondContact CA-O 3.37Å; I17-V29 HydrophobicContact CB-CB 4.35Å; I17-V29 PolarHBondContact N-O 2.84Å; I17-V29 PolarHBondContact O-N 3.49Å; F19-V29 HydrophobicContact CD2-CG2 3.89Å; F19-V29 HydrophobicContact CE2-CB 4.44Å; F19-V29 HydrophobicContact CE2-CG2 3.67Å; V29-L33 HydrophobicContact CG1-CD2 4.18Å; V29-H34 WeakPolarHBondContact CA-O 3.49Å; V29-I35 HydrophobicContact CG2-CG1 4.14Å; V29-I35 HydrophobicContact CG2-CG2 4.48Å
30D86.5Confident86.5Confident47 Ų4754.8 Ų54.825%0.25128%0.275SS..  trans-93.1178.8175.177.24000112.4G32 L33 H34 W370D30-G32 PolarHBondContact O-N 2.85Å; D30-G32 VanDerWaalsContact OD1-C 3.28Å; D30-G32 VanDerWaalsContact OD1-CA 3.25Å; D30-G32 WeakPolarHBondContact OD1-CA 3.26Å; D30-G32 PolarHBondContact OD1-N 3.33Å; D30-L33 WeakPolarHBondContact O-CA 3.37Å; D30-L33 PolarHBondContact O-N 3.07Å; D30-L33 PolarHBondContact OD1-N 2.68Å; D30-H34 PolarHBondContact N-O 2.85Å; D30-H34 VanDerWaalsContact N-O 3.14Å; D30-H34 WeakPolarHBondContact OD1-CB 3.4Å; D30-H34 IonicContact OD1-CG 3.66Å; D30-H34 PolarHBondContact OD1-N 3.44Å; D30-H34 IonicContact OD1-ND1 2.88Å; D30-H34 PolarHBondContact OD1-ND1 3.08Å; D30-H34 VanDerWaalsContact OD1-ND1 3.17Å; D30-H34 IonicContact OD2-CG 2.64Å; D30-H34 IonicContact OD2-ND1 2.69Å; D30-H34 PolarHBondContact OD2-ND1 2.78Å; D30-W370 WeakPolarHBondContact O-CH2 3.29Å; D30-W370 WeakPolarHBondContact O-CZ2 3.16Å
31R84.4Confident86.8Confident180 Ų18054.8 Ų54.868%0.67928%0.275SS*.THydrogen-bonded Turntrans-62.5-25.3178-169.1175.8-178.7164.63.7113.8L33 W370R31-L33 PolarHBondContact O-N 2.77Å; R31-W370 HydrophobicContact CB-CD2 4.27Å; R31-W370 HydrophobicContact CB-CG 4.33Å; R31-W370 HydrophobicContact CB-CZ2 4.41Å; R31-W370 HydrophobicContact CG-CD2 4.1Å; R31-W370 HydrophobicContact CG-CG 3.97Å
32G82.8Confident87Confident48 Ų4857.1 Ų57.150%0.49529%0.288SS..THydrogen-bonded Turntrans-81.33.3173.900000113.4D30 H34D30-G32 PolarHBondContact O-N 2.85Å; D30-G32 VanDerWaalsContact OD1-C 3.28Å; D30-G32 VanDerWaalsContact OD1-CA 3.25Å; D30-G32 WeakPolarHBondContact OD1-CA 3.26Å; D30-G32 PolarHBondContact OD1-N 3.33Å; G32-H34 PolarHBondContact O-N 3.5Å
33L79.8Confident87.2Confident102 Ų10257.7 Ų57.753%0.53429%0.292SS..  trans6122.9-172.5-54.1175.3000113.2V29 D30 R31 W370 M404V29-L33 HydrophobicContact CG1-CD2 4.18Å; D30-L33 WeakPolarHBondContact O-CA 3.37Å; D30-L33 PolarHBondContact O-N 3.07Å; D30-L33 PolarHBondContact OD1-N 2.68Å; R31-L33 PolarHBondContact O-N 2.77Å; L33-W370 HydrophobicContact CD2-CH2 4.15Å; L33-W370 HydrophobicContact CD2-CZ3 4.32Å; L33-M404 HydrophobicContact CD2-CE 4.43Å
34H83.7Confident87.4Confident123 Ų12351.4 Ų51.457%0.56927%0.269SS*.  trans-75.2130.2170.7-52.9102.3000109.3V29 D30 G32V29-H34 WeakPolarHBondContact CA-O 3.49Å; D30-H34 PolarHBondContact N-O 2.85Å; D30-H34 VanDerWaalsContact N-O 3.14Å; D30-H34 WeakPolarHBondContact OD1-CB 3.4Å; D30-H34 IonicContact OD1-CG 3.66Å; D30-H34 PolarHBondContact OD1-N 3.44Å; D30-H34 IonicContact OD1-ND1 2.88Å; D30-H34 PolarHBondContact OD1-ND1 3.08Å; D30-H34 VanDerWaalsContact OD1-ND1 3.17Å; D30-H34 IonicContact OD2-CG 2.64Å; D30-H34 IonicContact OD2-ND1 2.69Å; D30-H34 PolarHBondContact OD2-ND1 2.78Å; G32-H34 PolarHBondContact O-N 3.5Å
35I84.4Confident87.5Confident119 Ų11951.4 Ų51.461%0.6127%0.269SS*.EExtended strand (participates in β ladder)trans-103.8125.7-176.6-50.2-178.2000108.6C27 R28 V29C27-I35 HydrophobicContact CB-CG2 4.4Å; R28-I35 CarbonylContact O-C 3.57Å; R28-I35 WeakPolarHBondContact O-CA 3.39Å; V29-I35 HydrophobicContact CG2-CG1 4.14Å; V29-I35 HydrophobicContact CG2-CG2 4.48Å
36T86.8Confident87.4Confident32 Ų3250.8 Ų50.820%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-124.1126.1171.549.60000108.2C27 R28 M82C27-T36 CarbonylContact C-O 3.53Å; R28-T36 PolarHBondContact N-O 3.48Å; R28-T36 PolarHBondContact NE-OG1 2.7Å; R28-T36 VanDerWaalsContact NE-OG1 3.09Å; R28-T36 PolarHBondContact NH2-OG1 3.01Å; R28-T36 PolarHBondContact O-N 2.94Å; T36-M82 HydrophobicContact CG2-CE 3.83Å
37S87.7Confident87.4Confident65 Ų6552.3 Ų52.346%0.45527%0.274SS..EExtended strand (participates in β ladder)trans-120.2149.518064.30000111.5A26 C27A26-S37 WeakPolarHBondContact O-CA 3.44Å; C27-S37 WeakPolarHBondContact SG-CB 3.1Å
38F91.8Very high87.6Confident6 Ų652 Ų523%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-142.1155.7170.878-89.2000110W18 F25 A26 A40 L57 W73 W78 T83 P84W18-F38 AromaticContact CH2-CE1 3.95Å; W18-F38 HydrophobicContact CH2-CE1 3.95Å; W18-F38 HydrophobicContact CZ3-CD1 4.15Å; W18-F38 AromaticContact CZ3-CE1 3.58Å; W18-F38 HydrophobicContact CZ3-CE1 3.58Å; F25-F38 CarbonylContact C-O 3.54Å; F25-F38 WeakPolarHBondContact CA-O 3.38Å; A26-F38 HydrophobicContact CB-CD1 4.29Å; A26-F38 HydrophobicContact CB-CE1 3.81Å; A26-F38 HydrophobicContact CB-CZ 3.98Å; A26-F38 PolarHBondContact N-O 2.83Å; A26-F38 PolarHBondContact O-N 2.83Å; A26-F38 VanDerWaalsContact O-N 3.07Å; F38-A40 HydrophobicContact CD2-CB 4.45Å; F38-A40 HydrophobicContact CE2-CB 3.73Å; F38-A40 HydrophobicContact CZ-CB 4.17Å; F38-A40 PolarHBondContact O-N 2.51Å; F38-L57 HydrophobicContact CE1-CD2 4.32Å; F38-L57 HydrophobicContact CZ-CD2 4.28Å; F38-W73 AromaticContact CE2-CD2 3.79Å; F38-W73 HydrophobicContact CE2-CD2 3.79Å; F38-W73 AromaticContact CE2-CE2 3.84Å; F38-W73 AromaticContact CE2-CE3 3.85Å; F38-W73 HydrophobicContact CE2-CE3 3.85Å; F38-W73 HydrophobicContact CE2-CG 4.41Å; F38-W73 HydrophobicContact CE2-CH2 4Å; F38-W73 AromaticContact CE2-CZ2 3.97Å; F38-W73 HydrophobicContact CE2-CZ2 3.97Å; F38-W73 AromaticContact CE2-CZ3 3.94Å; F38-W73 HydrophobicContact CE2-CZ3 3.94Å; F38-W73 AromaticContact CZ-CD2 3.99Å; F38-W73 HydrophobicContact CZ-CD2 3.99Å; F38-W73 HydrophobicContact CZ-CE3 4.34Å; F38-W73 HydrophobicContact CZ-CG 4.13Å; F38-W78 HydrophobicContact CD1-CH2 4.43Å; F38-T83 HydrophobicContact CB-CG2 4.25Å; F38-P84 HydrophobicContact CD1-CG 3.91Å; F38-P84 HydrophobicContact CD2-CG 4.05Å; F38-P84 HydrophobicContact CE1-CG 3.53Å; F38-P84 HydrophobicContact CE2-CG 3.71Å; F38-P84 VanDerWaalsContact CG-CD 3.48Å; F38-P84 HydrophobicContact CG-CG 4.15Å; F38-P84 HydrophobicContact CZ-CG 3.44Å; F38-P84 VanDerWaalsContact CZ-CG 3.44Å
39Q90.5Very high87.7Confident93 Ų9352.1 Ų52.144%0.43527%0.274SS..EExtended strand (participates in β ladder)trans-81.4110.1177.1-169.5170.715.800110F25 H41F25-Q39 HydrophobicContact CD1-CB 4.09Å; F25-Q39 HydrophobicContact CE1-CB 3.84Å; F25-Q39 HydrophobicContact CE1-CG 4.5Å; F25-Q39 HydrophobicContact CZ-CB 4.18Å; F25-Q39 HydrophobicContact CZ-CG 4.4Å; Q39-H41 WeakPolarHBondContact CG-O 3.44Å; Q39-H41 PolarHBondContact NE2-O 3.29Å
40A90.7Very high88Confident2 Ų251.7 Ų51.72%0.01727%0.272CS..  trans-88-41178.100000111.4G24 A26 F38 V45 T59 K71 W73G24-A40 PolarHBondContact O-N 3.44Å; A26-A40 HydrophobicContact CB-CB 4.14Å; F38-A40 HydrophobicContact CD2-CB 4.45Å; F38-A40 HydrophobicContact CE2-CB 3.73Å; F38-A40 HydrophobicContact CZ-CB 4.17Å; F38-A40 PolarHBondContact O-N 2.51Å; A40-V45 HydrophobicContact CB-CG2 4.48Å; A40-T59 HydrophobicContact CB-CG2 4.19Å; A40-K71 WeakPolarHBondContact O-CD 3.48Å; A40-K71 PolarHBondContact O-NZ 2.85Å; A40-W73 HydrophobicContact CB-CZ2 3.98Å; A40-W73 WeakPolarHBondContact O-CZ2 3.43Å
41H91.8Very high88.2Confident1 Ų149.4 Ų49.41%0.00526%0.26CS..SBendtrans-129.6160.7-179.8-69.6-84000110.6G24 Q39 T59 G61 D63 S69G24-H41 WeakPolarHBondContact CA-O 3.35Å; G24-H41 PolarHBondContact O-N 3.15Å; Q39-H41 WeakPolarHBondContact CG-O 3.44Å; Q39-H41 PolarHBondContact NE2-O 3.29Å; H41-T59 PolarHBondContact CD2-OG1 2.99Å; H41-T59 WeakPolarHBondContact NE2-CB 3.39Å; H41-T59 PolarHBondContact NE2-OG1 3Å; H41-G61 PolarHBondContact CE1-N 2.82Å; H41-G61 VanDerWaalsContact CE1-N 3.33Å; H41-G61 PolarHBondContact NE2-N 3.2Å; H41-D63 IonicContact CG-OD1 3.16Å; H41-D63 IonicContact ND1-OD1 2.75Å; H41-D63 PolarHBondContact ND1-OD1 3Å; H41-D63 VanDerWaalsContact ND1-OD1 3.14Å; H41-D63 IonicContact ND1-OD2 3.26Å; H41-S69 PolarHBondContact CE1-O 3.44Å; H41-S69 VanDerWaalsContact CE1-O 3.29Å; H41-S69 PolarHBondContact CE1-OG 2.84Å
42D87.8Confident88.3Confident60 Ų6045.4 Ų45.432%0.32125%0.247SC..SBendtrans-78.9-29.8-177.7-65.8-55.1000112.6E62 K64D42-E62 PolarHBondContact N-O 2.84Å; D42-K64 HydrophobicContact CB-CD 4.45Å; D42-K64 HydrophobicContact CB-CG 3.81Å; D42-K64 VanDerWaalsContact CG-CE 3.48Å; D42-K64 VanDerWaalsContact OD1-CE 3.23Å; D42-K64 WeakPolarHBondContact OD1-CE 3.49Å; D42-K64 IonicContact OD1-NZ 2.95Å; D42-K64 WeakPolarHBondContact OD2-CD 3.47Å; D42-K64 WeakPolarHBondContact OD2-CG 3.47Å; D42-K64 PolarHBondContact OD2-N 3.34Å; D42-K64 VanDerWaalsContact OD2-N 3.08Å
43S86.5Confident88.5Confident46 Ų4649.1 Ų49.132%0.32225%0.252SS..SBendtrans-112.6-69.5-174.9173.90000111.8S22 Y23 G24 E62S22-S43 CarbonylContact C-O 3.55Å; Y23-S43 CarbonylContact C-O 3.6Å; Y23-S43 WeakPolarHBondContact CA-O 3.5Å; Y23-S43 PolarHBondContact N-O 3.45Å; G24-S43 PolarHBondContact N-O 2.97Å; S43-E62 WeakPolarHBondContact CB-O 3.28Å; S43-E62 WeakPolarHBondContact CB-OE2 3.2Å; S43-E62 PolarHBondContact N-O 2.81Å; S43-E62 PolarHBondContact OG-OE2 2.85Å
44C87.3Confident88.9Confident11 Ų1147.2 Ų47.27%0.07424%0.24CC..EExtended strand (participates in β ladder)trans-146.8145.6-171.81750000111.4N8 G61 E62N8-C44 PolarHBondContact ND2-SG 3.09Å; C44-G61 CarbonylContact O-C 3.51Å; C44-G61 WeakPolarHBondContact O-CA 3.15Å; C44-E62 PolarHBondContact O-N 3.38Å
45V89.2Confident89.2Confident0 Ų044.2 Ų44.20%023%0.228CC..EExtended strand (participates in β ladder)trans-96.8112169.2-167.50000109.6N8 C9 D21 A40 M48N8-V45 WeakPolarHBondContact CB-O 3.46Å; C9-V45 PolarHBondContact SG-O 3.15Å; D21-V45 PolarHBondContact O-N 3.33Å; A40-V45 HydrophobicContact CB-CG2 4.48Å; V45-M48 HydrophobicContact CG1-CG 3.5Å; V45-M48 HydrophobicContact CG1-SD 4.01Å
46H87.2Confident89.6Confident62 Ų6239 Ų3929%0.28720%0.202SC..EExtended strand (participates in β ladder)trans-86.7-39.4-178.4-69.2-57.4000113C9 I60 Y101C9-H46 WeakPolarHBondContact CB-O 3.41Å; H46-I60 PolarHBondContact N-O 3.3Å; H46-Y101 AromaticContact NE2-CE1 3.68Å
47L91.1Very high90Very high31 Ų3137.5 Ų37.516%0.16219%0.192CC..EExtended strand (participates in β ladder)trans-144145.5-178.4-170.168.4000109.9T59 I60 V102 L105L47-T59 WeakPolarHBondContact O-CA 3.36Å; L47-I60 HydrophobicContact CB-CB 4.23Å; L47-I60 HydrophobicContact CD2-CD1 4.23Å; L47-I60 PolarHBondContact N-O 2.72Å; L47-I60 VanDerWaalsContact N-O 3.11Å; L47-I60 PolarHBondContact O-N 2.98Å; L47-V102 HydrophobicContact CD2-CG1 4.15Å; L47-L105 HydrophobicContact CD2-CB 3.48Å; L47-L105 VanDerWaalsContact CD2-CB 3.48Å; L47-L105 HydrophobicContact CD2-CD2 4.34Å
48M93.1Very high90.3Very high7 Ų734.5 Ų34.53%0.03417%0.171CC..EExtended strand (participates in β ladder)trans-134.9147.3171-63.3-171.4-59.700109.9T11 W18 A26 V45 L57 I58 T59T11-M48 WeakPolarHBondContact CB-O 3.4Å; T11-M48 HydrophobicContact CG2-CB 3.54Å; T11-M48 HydrophobicContact CG2-CE 4.28Å; W18-M48 HydrophobicContact CB-CE 3.87Å; W18-M48 HydrophobicContact CB-SD 4.4Å; W18-M48 WeakPolarHBondContact O-CE 3.31Å; A26-M48 HydrophobicContact CB-SD 4.11Å; V45-M48 HydrophobicContact CG1-CG 3.5Å; V45-M48 HydrophobicContact CG1-SD 4.01Å; M48-L57 HydrophobicContact CB-CD1 4.44Å; M48-I58 CarbonylContact C-O 3.58Å; M48-I58 VanDerWaalsContact CA-O 3.3Å; M48-I58 WeakPolarHBondContact CA-O 3.4Å; M48-T59 HydrophobicContact CG-CG2 4.03Å; M48-T59 HydrophobicContact SD-CG2 4.38Å
49H92.4Very high90.4Very high49 Ų4934.2 Ų34.223%0.22717%0.17CC..EExtended strand (participates in β ladder)trans-142.8114.5173.2-175.486.5000109.4I58 L105H49-I58 PolarHBondContact N-O 2.87Å; H49-I58 PolarHBondContact O-N 2.86Å; H49-L105 HydrophobicContact CB-CD2 3.58Å; H49-L105 HydrophobicContact CB-CG 4.4Å
50Q92.8Very high90.6Very high1 Ų129.8 Ų29.81%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-88.5121.8172.2176.761.252.100108.4T11 W18 H54 L56 L57T11-Q50 HydrophobicContact CG2-CB 4Å; T11-Q50 PolarHBondContact OG1-N 2.91Å; T11-Q50 VanDerWaalsContact OG1-N 3.08Å; W18-Q50 VanDerWaalsContact NE1-OE1 3.12Å; Q50-H54 PolarHBondContact NE2-O 3.21Å; Q50-L56 PolarHBondContact NE2-O 3.4Å; Q50-L56 VanDerWaalsContact NE2-O 3.08Å; Q50-L57 HydrophobicContact CB-CD1 4.19Å
51M91.1Very high90.6Very high0 Ų029.7 Ų29.70%015%0.148CC..  trans-66.6146.2175.7-65.8-157.165.400111.5H54 L56 I58 I107 D108 E109 L111M51-H54 HydrophobicContact CB-CB 4.16Å; M51-H54 HydrophobicContact SD-CB 4.33Å; M51-L56 HydrophobicContact CG-CB 4.29Å; M51-L56 PolarHBondContact N-O 3.26Å; M51-L56 VanDerWaalsContact N-O 3.1Å; M51-L56 HydrophobicContact SD-CB 4.22Å; M51-L56 HydrophobicContact SD-CD1 4.22Å; M51-I58 HydrophobicContact CG-CD1 3.76Å; M51-I58 HydrophobicContact SD-CD1 4.12Å; M51-I107 HydrophobicContact CE-CG2 3.65Å; M51-I107 HydrophobicContact SD-CG2 3.95Å; M51-D108 WeakPolarHBondContact CE-O 3.36Å; M51-E109 WeakPolarHBondContact CE-OE2 3.39Å; M51-L111 HydrophobicContact CE-CD2 3.49Å; M51-L111 VanDerWaalsContact CE-CD2 3.49Å; M51-L111 HydrophobicContact CE-CG 4.41Å; M51-L111 HydrophobicContact SD-CD2 3.2Å; M51-L111 WeakPolarHBondContact SD-CD2 3.4Å
52K86.4Confident90.5Very high96 Ų9631.5 Ų31.542%0.41716%0.157SC..SBendtrans-83.3-39.7-178.5-55.4-64.6-173.4-178.20110.7Y12 R14 E109Y12-K52 PolarHBondContact O-NZ 2.87Å; R14-K52 PolarHBondContact NE-O 2.75Å; K52-E109 VanDerWaalsContact CB-OE1 3.3Å; K52-E109 WeakPolarHBondContact CB-OE1 3.49Å; K52-E109 PolarHBondContact N-OE1 2.77Å; K52-E109 VanDerWaalsContact N-OE1 3.16Å; K52-E109 PolarHBondContact N-OE2 2.7Å
53E87.1Confident90.4Very high126 Ų12629.5 Ų29.559%0.58915%0.146SC*.SBendtrans-99.5-1.3-177.6-59.9-168.417400115R14 E109R14-E53 VanDerWaalsContact NH2-CA 3.32Å; R14-E53 PolarHBondContact NH2-O 3.42Å; E53-E109 HydrophobicContact CB-CB 4.3Å; E53-E109 HydrophobicContact CB-CG 4.49Å; E53-E109 VanDerWaalsContact CB-OE2 3.32Å; E53-E109 WeakPolarHBondContact CB-OE2 3.23Å; E53-E109 HydrophobicContact CG-CB 4.2Å; E53-E109 HydrophobicContact CG-CG 4.14Å; E53-E109 PolarHBondContact N-OE2 3.44Å
54H88.5Confident90Very high61 Ų6135.5 Ų35.528%0.28217%0.166SC..SBendtrans-133.8148.7176.6-61.1-82.4000112.4Q50 M51 L56 E109Q50-H54 PolarHBondContact NE2-O 3.21Å; M51-H54 HydrophobicContact CB-CB 4.16Å; M51-H54 HydrophobicContact SD-CB 4.33Å; H54-L56 HydrophobicContact CB-CB 4.35Å; H54-L56 HydrophobicContact CB-CD1 4.08Å; H54-L56 HydrophobicContact CB-CG 4Å; H54-L56 PolarHBondContact O-N 2.79Å; H54-E109 PolarHBondContact CD2-O 3.38Å; H54-E109 VanDerWaalsContact CD2-O 3.25Å; H54-E109 PolarHBondContact NE2-O 2.88Å
55D89.9Confident89.3Confident61 Ų6139.4 Ų39.433%0.32619%0.19SC..SBendtrans-78.551.2173.3-68.8-34.3000111.1R14 L75 T76R14-D55 WeakPolarHBondContact CD-OD1 3.47Å; R14-D55 IonicContact CZ-OD1 3.4Å; R14-D55 IonicContact NE-OD1 3.34Å; R14-D55 IonicContact NH1-OD1 3.01Å; R14-D55 PolarHBondContact NH1-OD1 3.47Å; R14-D55 IonicContact NH1-OD2 2.69Å; R14-D55 PolarHBondContact NH1-OD2 3.05Å; D55-L75 HydrophobicContact CB-CB 4.29Å; D55-L75 WeakPolarHBondContact O-CB 3.41Å; D55-L75 PolarHBondContact O-N 3.11Å; D55-T76 HydrophobicContact CB-CG2 3.51Å; D55-T76 WeakPolarHBondContact OD2-CG2 3.13Å
56L92.8Very high88.6Confident10 Ų1046.7 Ų46.75%0.05222%0.222CC..EExtended strand (participates in β ladder)trans-119.3130.1-179.1-62.6178.1000109.8Q50 M51 H54 V72 W73 N74 L111 T131Q50-L56 PolarHBondContact NE2-O 3.4Å; Q50-L56 VanDerWaalsContact NE2-O 3.08Å; M51-L56 HydrophobicContact CG-CB 4.29Å; M51-L56 PolarHBondContact N-O 3.26Å; M51-L56 VanDerWaalsContact N-O 3.1Å; M51-L56 HydrophobicContact SD-CB 4.22Å; M51-L56 HydrophobicContact SD-CD1 4.22Å; H54-L56 HydrophobicContact CB-CB 4.35Å; H54-L56 HydrophobicContact CB-CD1 4.08Å; H54-L56 HydrophobicContact CB-CG 4Å; H54-L56 PolarHBondContact O-N 2.79Å; L56-V72 HydrophobicContact CD2-CG1 4.33Å; L56-W73 VanDerWaalsContact CA-O 3.31Å; L56-W73 WeakPolarHBondContact CA-O 3.23Å; L56-N74 HydrophobicContact CD2-CB 4.06Å; L56-L111 HydrophobicContact CD1-CD1 3.97Å; L56-L111 HydrophobicContact CD1-CD2 3.81Å; L56-T131 HydrophobicContact CD1-CG2 3.67Å; L56-T131 HydrophobicContact CD2-CG2 4.49Å
57L94.2Very high88.5Confident0 Ų049 Ų490%023%0.233CC..EExtended strand (participates in β ladder)trans-109.7123.8169178.570000108.1T11 W18 F38 M48 Q50 T59 W73 L75T11-L57 HydrophobicContact CG2-CD1 3.96Å; W18-L57 HydrophobicContact CD2-CD1 4.26Å; W18-L57 HydrophobicContact CD2-CD2 3.87Å; W18-L57 HydrophobicContact CE3-CD2 3.68Å; W18-L57 HydrophobicContact CG-CD1 4.22Å; W18-L57 HydrophobicContact CH2-CD2 3.87Å; W18-L57 HydrophobicContact CZ2-CD2 4.05Å; W18-L57 HydrophobicContact CZ3-CD2 3.68Å; F38-L57 HydrophobicContact CE1-CD2 4.32Å; F38-L57 HydrophobicContact CZ-CD2 4.28Å; M48-L57 HydrophobicContact CB-CD1 4.44Å; Q50-L57 HydrophobicContact CB-CD1 4.19Å; L57-T59 HydrophobicContact CD2-CG2 3.97Å; L57-T59 HydrophobicContact CG-CG2 3.98Å; L57-W73 HydrophobicContact CB-CB 4.31Å; L57-W73 PolarHBondContact N-O 3.28Å; L57-W73 WeakPolarHBondContact O-CB 3.27Å; L57-W73 VanDerWaalsContact O-CD1 3.31Å; L57-W73 PolarHBondContact O-N 3.33Å; L57-L75 HydrophobicContact CB-CD1 4.08Å; L57-L75 HydrophobicContact CB-CD2 4.11Å; L57-L75 HydrophobicContact CB-CG 4.21Å
58I94.2Very high88.4Confident1 Ų147.8 Ų47.81%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-98.3128.3171-60.286.7000107.8M48 H49 M51 L70 K71 V72 L105 I107M48-I58 CarbonylContact C-O 3.58Å; M48-I58 VanDerWaalsContact CA-O 3.3Å; M48-I58 WeakPolarHBondContact CA-O 3.4Å; H49-I58 PolarHBondContact N-O 2.87Å; H49-I58 PolarHBondContact O-N 2.86Å; M51-I58 HydrophobicContact CG-CD1 3.76Å; M51-I58 HydrophobicContact SD-CD1 4.12Å; I58-L70 HydrophobicContact CG2-CD1 4.04Å; I58-L70 HydrophobicContact CG2-CD2 4Å; I58-L70 HydrophobicContact CG2-CG 3.79Å; I58-K71 WeakPolarHBondContact CA-O 3.39Å; I58-V72 HydrophobicContact CG1-CG1 4.42Å; I58-V72 HydrophobicContact CG1-CG2 4.19Å; I58-L105 HydrophobicContact CB-CD2 4.37Å; I58-L105 HydrophobicContact CG2-CD2 4.03Å; I58-I107 HydrophobicContact CB-CD1 4.23Å; I58-I107 HydrophobicContact CD1-CD1 3.37Å; I58-I107 HydrophobicContact CG1-CD1 3.64Å
59T94.8Very high88.2Confident0 Ų047.9 Ų47.90%023%0.227CC..EExtended strand (participates in β ladder)trans-120.4141.5173.866.50000109.8A40 H41 L47 M48 L57 L70 K71 W73A40-T59 HydrophobicContact CB-CG2 4.19Å; H41-T59 PolarHBondContact CD2-OG1 2.99Å; H41-T59 WeakPolarHBondContact NE2-CB 3.39Å; H41-T59 PolarHBondContact NE2-OG1 3Å; L47-T59 WeakPolarHBondContact O-CA 3.36Å; M48-T59 HydrophobicContact CG-CG2 4.03Å; M48-T59 HydrophobicContact SD-CG2 4.38Å; L57-T59 HydrophobicContact CD2-CG2 3.97Å; L57-T59 HydrophobicContact CG-CG2 3.98Å; T59-L70 WeakPolarHBondContact O-CA 3.43Å; T59-K71 PolarHBondContact N-O 3.32Å; T59-K71 PolarHBondContact O-N 2.57Å; T59-W73 PolarHBondContact OG1-NE1 3.07Å
60I93.9Very high88.3Confident1 Ų145.6 Ų45.61%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-122.6128.2171.5-56.7-179.8000107.4H46 L47 I68 S69 L70 V92 V102 L116H46-I60 PolarHBondContact N-O 3.3Å; L47-I60 HydrophobicContact CB-CB 4.23Å; L47-I60 HydrophobicContact CD2-CD1 4.23Å; L47-I60 PolarHBondContact N-O 2.72Å; L47-I60 VanDerWaalsContact N-O 3.11Å; L47-I60 PolarHBondContact O-N 2.98Å; I60-I68 HydrophobicContact CG2-CG2 3.57Å; I60-S69 WeakPolarHBondContact CA-O 3.4Å; I60-L70 HydrophobicContact CD1-CD1 3.98Å; I60-L70 HydrophobicContact CD1-CG 4.48Å; I60-L70 HydrophobicContact CG1-CB 4.13Å; I60-L70 HydrophobicContact CG1-CD1 4.11Å; I60-L70 HydrophobicContact CG1-CG 4.07Å; I60-V92 HydrophobicContact CG2-CG2 4.02Å; I60-V102 HydrophobicContact CD1-CB 4.18Å; I60-V102 HydrophobicContact CD1-CG1 3.92Å; I60-V102 HydrophobicContact CD1-CG2 4.08Å; I60-V102 HydrophobicContact CG2-CB 4.43Å; I60-V102 HydrophobicContact CG2-CG2 4.15Å; I60-L116 HydrophobicContact CD1-CD2 4.19Å
61G91.5Very high88.3Confident0 Ų046.8 Ų46.80%022%0.222CC..EExtended strand (participates in β ladder)trans-165.6176-172.900000112.8H41 C44 I68 S69H41-G61 PolarHBondContact CE1-N 2.82Å; H41-G61 VanDerWaalsContact CE1-N 3.33Å; H41-G61 PolarHBondContact NE2-N 3.2Å; C44-G61 CarbonylContact O-C 3.51Å; C44-G61 WeakPolarHBondContact O-CA 3.15Å; G61-I68 WeakPolarHBondContact O-CA 3.42Å; G61-S69 PolarHBondContact N-O 3.09Å; G61-S69 VanDerWaalsContact N-O 3.15Å; G61-S69 PolarHBondContact O-N 3.43Å
62E89Confident88.4Confident38 Ų3846.8 Ų46.818%0.17822%0.222CC..EExtended strand (participates in β ladder)trans-92.7127.7179.1-176.2-174-155.700110.4D42 S43 C44 K66D42-E62 PolarHBondContact N-O 2.84Å; S43-E62 WeakPolarHBondContact CB-O 3.28Å; S43-E62 WeakPolarHBondContact CB-OE2 3.2Å; S43-E62 PolarHBondContact N-O 2.81Å; S43-E62 PolarHBondContact OG-OE2 2.85Å; C44-E62 PolarHBondContact O-N 3.38Å; E62-K66 WeakPolarHBondContact OE1-CA 3.34Å; E62-K66 WeakPolarHBondContact OE1-CB 3.39Å; E62-K66 WeakPolarHBondContact OE1-CG 3.29Å
63D85.6Confident88.8Confident19 Ų1943.2 Ų43.210%0.10221%0.206CC..  trans-101.8173.4173.1-69.5-36.6000111.5H41 T65 K66 E67 S69 K71H41-D63 IonicContact CG-OD1 3.16Å; H41-D63 IonicContact ND1-OD1 2.75Å; H41-D63 PolarHBondContact ND1-OD1 3Å; H41-D63 VanDerWaalsContact ND1-OD1 3.14Å; H41-D63 IonicContact ND1-OD2 3.26Å; D63-T65 PolarHBondContact O-N 2.93Å; D63-K66 WeakPolarHBondContact O-CA 3.18Å; D63-K66 PolarHBondContact O-N 3.47Å; D63-E67 PolarHBondContact N-O 2.77Å; D63-E67 VanDerWaalsContact N-O 3.15Å; D63-S69 VanDerWaalsContact OD2-CB 3.31Å; D63-S69 WeakPolarHBondContact OD2-CB 3.35Å; D63-S69 PolarHBondContact OD2-OG 2.97Å; D63-K71 IonicContact OD1-NZ 3.01Å; D63-K71 PolarHBondContact OD1-NZ 2.85Å; D63-K71 WeakPolarHBondContact OD2-CE 3.39Å; D63-K71 IonicContact OD2-NZ 2.7Å; D63-K71 PolarHBondContact OD2-NZ 3.41Å
64K78.1Confident89Confident172 Ų17238.6 Ų38.675%0.74819%0.185SC*.THydrogen-bonded Turntrans-47-29.2-175.5-82.1158.2-170.9168.40116.1D42 K66D42-K64 HydrophobicContact CB-CD 4.45Å; D42-K64 HydrophobicContact CB-CG 3.81Å; D42-K64 VanDerWaalsContact CG-CE 3.48Å; D42-K64 VanDerWaalsContact OD1-CE 3.23Å; D42-K64 WeakPolarHBondContact OD1-CE 3.49Å; D42-K64 IonicContact OD1-NZ 2.95Å; D42-K64 WeakPolarHBondContact OD2-CD 3.47Å; D42-K64 WeakPolarHBondContact OD2-CG 3.47Å; D42-K64 PolarHBondContact OD2-N 3.34Å; D42-K64 VanDerWaalsContact OD2-N 3.08Å; K64-K66 PolarHBondContact O-N 2.92Å
65T73.1Confident89.1Confident93 Ų9336.5 Ų36.557%0.57118%0.176SC*.THydrogen-bonded Turntrans-79.83.2179.649.70000113.6D63 E67D63-T65 PolarHBondContact O-N 2.93Å; T65-E67 PolarHBondContact O-N 2.59Å; T65-E67 WeakPolarHBondContact OG1-CB 3.45Å; T65-E67 WeakPolarHBondContact OG1-CG 3.31Å; T65-E67 PolarHBondContact OG1-OE2 3.23Å
66K74.7Confident89Confident153 Ų15337.6 Ų37.667%0.66519%0.185SC*.SBendtrans56.417.5-165.1-57.5-163.2172.9-172.80113.5E62 D63 K64E62-K66 WeakPolarHBondContact OE1-CA 3.34Å; E62-K66 WeakPolarHBondContact OE1-CB 3.39Å; E62-K66 WeakPolarHBondContact OE1-CG 3.29Å; D63-K66 WeakPolarHBondContact O-CA 3.18Å; D63-K66 PolarHBondContact O-N 3.47Å; K64-K66 PolarHBondContact O-N 2.92Å
67E83.9Confident88.6Confident111 Ų11143.2 Ų43.252%0.51921%0.209SC..  trans-84.7139172.1-65.7174.314500109D63 T65 S69D63-E67 PolarHBondContact N-O 2.77Å; D63-E67 VanDerWaalsContact N-O 3.15Å; T65-E67 PolarHBondContact O-N 2.59Å; T65-E67 WeakPolarHBondContact OG1-CB 3.45Å; T65-E67 WeakPolarHBondContact OG1-CG 3.31Å; T65-E67 PolarHBondContact OG1-OE2 3.23Å; E67-S69 PolarHBondContact O-N 2.82Å
68I88.5Confident88.1Confident4 Ų446.8 Ų46.82%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-85.6114174.1-60.6166.9000107.7I60 G61 V92 L99 Y101I60-I68 HydrophobicContact CG2-CG2 3.57Å; G61-I68 WeakPolarHBondContact O-CA 3.42Å; I68-V92 HydrophobicContact CG2-CB 4.31Å; I68-V92 HydrophobicContact CG2-CG2 4.09Å; I68-V92 PolarHBondContact O-N 3.03Å; I68-V92 VanDerWaalsContact O-N 3.08Å; I68-L99 HydrophobicContact CB-CD1 4.31Å; I68-L99 HydrophobicContact CD1-CD1 3.79Å; I68-L99 HydrophobicContact CD1-CD2 4.42Å; I68-L99 HydrophobicContact CD1-CG 4.07Å; I68-L99 HydrophobicContact CG1-CD1 3.93Å; I68-Y101 HydrophobicContact CD1-CD1 3.44Å; I68-Y101 VanDerWaalsContact CD1-CD1 3.44Å; I68-Y101 HydrophobicContact CD1-CE1 3.61Å; I68-Y101 HydrophobicContact CD1-CG 3.98Å; I68-Y101 HydrophobicContact CG1-CE1 4.43Å
69S90.6Very high87.6Confident9 Ų949.7 Ų49.76%0.06324%0.241CC..EExtended strand (participates in β ladder)trans-111.2146.3179.380.60000110.8H41 I60 G61 D63 E67 K71 T90H41-S69 PolarHBondContact CE1-O 3.44Å; H41-S69 VanDerWaalsContact CE1-O 3.29Å; H41-S69 PolarHBondContact CE1-OG 2.84Å; I60-S69 WeakPolarHBondContact CA-O 3.4Å; G61-S69 PolarHBondContact N-O 3.09Å; G61-S69 VanDerWaalsContact N-O 3.15Å; G61-S69 PolarHBondContact O-N 3.43Å; D63-S69 VanDerWaalsContact OD2-CB 3.31Å; D63-S69 WeakPolarHBondContact OD2-CB 3.35Å; D63-S69 PolarHBondContact OD2-OG 2.97Å; E67-S69 PolarHBondContact O-N 2.82Å; S69-K71 WeakPolarHBondContact OG-CE 3.48Å; S69-T90 WeakPolarHBondContact CA-O 3.17Å
70L92.8Very high86.7Confident2 Ų258.1 Ų58.11%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-99.5125.3167.5179.5155.3000108I58 T59 I60 V72 V89 T90 V92 M114 L116I58-L70 HydrophobicContact CG2-CD1 4.04Å; I58-L70 HydrophobicContact CG2-CD2 4Å; I58-L70 HydrophobicContact CG2-CG 3.79Å; T59-L70 WeakPolarHBondContact O-CA 3.43Å; I60-L70 HydrophobicContact CD1-CD1 3.98Å; I60-L70 HydrophobicContact CD1-CG 4.48Å; I60-L70 HydrophobicContact CG1-CB 4.13Å; I60-L70 HydrophobicContact CG1-CD1 4.11Å; I60-L70 HydrophobicContact CG1-CG 4.07Å; L70-V72 HydrophobicContact CD2-CG2 3.78Å; L70-V89 WeakPolarHBondContact O-CA 3.33Å; L70-T90 PolarHBondContact N-O 3.06Å; L70-T90 PolarHBondContact O-N 2.92Å; L70-V92 HydrophobicContact CB-CG2 3.74Å; L70-M114 HydrophobicContact CD1-CE 3.73Å; L70-M114 HydrophobicContact CD1-SD 3.71Å; L70-M114 HydrophobicContact CD2-CE 4.35Å; L70-L116 HydrophobicContact CD1-CD1 4.23Å; L70-L116 HydrophobicContact CD1-CD2 4.18Å
71K93.6Very high85.9Confident25 Ų2566.7 Ų66.711%0.10932%0.323CS..EExtended strand (participates in β ladder)trans-118.3134.3177.4-62.7-177.1-172.7165.60110.3A40 I58 T59 D63 S69 W73 R88 V89A40-K71 WeakPolarHBondContact O-CD 3.48Å; A40-K71 PolarHBondContact O-NZ 2.85Å; I58-K71 WeakPolarHBondContact CA-O 3.39Å; T59-K71 PolarHBondContact N-O 3.32Å; T59-K71 PolarHBondContact O-N 2.57Å; D63-K71 IonicContact OD1-NZ 3.01Å; D63-K71 PolarHBondContact OD1-NZ 2.85Å; D63-K71 WeakPolarHBondContact OD2-CE 3.39Å; D63-K71 IonicContact OD2-NZ 2.7Å; D63-K71 PolarHBondContact OD2-NZ 3.41Å; S69-K71 WeakPolarHBondContact OG-CE 3.48Å; K71-W73 HydrophobicContact CB-CZ2 4.01Å; K71-W73 HydrophobicContact CD-CH2 4.34Å; K71-W73 HydrophobicContact CD-CZ2 3.6Å; K71-W73 HydrophobicContact CG-CZ2 4.45Å; K71-R88 VanDerWaalsContact CA-O 3.28Å; K71-R88 WeakPolarHBondContact CA-O 3.41Å; K71-V89 HydrophobicContact CG-CG1 4.17Å; K71-V89 HydrophobicContact CG-CG2 4.14Å
72V93.8Very high85.3Confident0 Ų072 Ų720%035%0.349CS..EExtended strand (participates in β ladder)trans-107.6117.4175.6-175.30000108.5L56 I58 L70 C86 C87 R88 I130L56-V72 HydrophobicContact CD2-CG1 4.33Å; I58-V72 HydrophobicContact CG1-CG1 4.42Å; I58-V72 HydrophobicContact CG1-CG2 4.19Å; L70-V72 HydrophobicContact CD2-CG2 3.78Å; V72-C86 CarbonylContact O-C 3.58Å; V72-C86 WeakPolarHBondContact O-CA 3.46Å; V72-C87 PolarHBondContact O-N 2.84Å; V72-R88 HydrophobicContact CB-CB 4.07Å; V72-R88 HydrophobicContact CG2-CB 4.02Å; V72-R88 HydrophobicContact CG2-CG 4.44Å; V72-R88 PolarHBondContact N-O 2.78Å; V72-I130 HydrophobicContact CG2-CG2 4.19Å
73W94Very high85.2Confident21 Ų2172.3 Ų72.38%0.0835%0.354CS..EExtended strand (participates in β ladder)trans-105.8128-176.5-55.391.9000110.6F38 A40 L56 L57 T59 K71 P84 F85 C86F38-W73 AromaticContact CE2-CD2 3.79Å; F38-W73 HydrophobicContact CE2-CD2 3.79Å; F38-W73 AromaticContact CE2-CE2 3.84Å; F38-W73 AromaticContact CE2-CE3 3.85Å; F38-W73 HydrophobicContact CE2-CE3 3.85Å; F38-W73 HydrophobicContact CE2-CG 4.41Å; F38-W73 HydrophobicContact CE2-CH2 4Å; F38-W73 AromaticContact CE2-CZ2 3.97Å; F38-W73 HydrophobicContact CE2-CZ2 3.97Å; F38-W73 AromaticContact CE2-CZ3 3.94Å; F38-W73 HydrophobicContact CE2-CZ3 3.94Å; F38-W73 AromaticContact CZ-CD2 3.99Å; F38-W73 HydrophobicContact CZ-CD2 3.99Å; F38-W73 HydrophobicContact CZ-CE3 4.34Å; F38-W73 HydrophobicContact CZ-CG 4.13Å; A40-W73 HydrophobicContact CB-CZ2 3.98Å; A40-W73 WeakPolarHBondContact O-CZ2 3.43Å; L56-W73 VanDerWaalsContact CA-O 3.31Å; L56-W73 WeakPolarHBondContact CA-O 3.23Å; L57-W73 HydrophobicContact CB-CB 4.31Å; L57-W73 PolarHBondContact N-O 3.28Å; L57-W73 WeakPolarHBondContact O-CB 3.27Å; L57-W73 VanDerWaalsContact O-CD1 3.31Å; L57-W73 PolarHBondContact O-N 3.33Å; T59-W73 PolarHBondContact OG1-NE1 3.07Å; K71-W73 HydrophobicContact CB-CZ2 4.01Å; K71-W73 HydrophobicContact CD-CH2 4.34Å; K71-W73 HydrophobicContact CD-CZ2 3.6Å; K71-W73 HydrophobicContact CG-CZ2 4.45Å; W73-P84 HydrophobicContact CB-CB 4.34Å; W73-P84 HydrophobicContact CB-CG 4.15Å; W73-P84 HydrophobicContact CD2-CG 4.33Å; W73-P84 HydrophobicContact CE3-CB 4.47Å; W73-P84 HydrophobicContact CE3-CG 3.87Å; W73-P84 HydrophobicContact CG-CG 4.47Å; W73-F85 WeakPolarHBondContact CA-O 3.28Å; W73-C86 HydrophobicContact CD2-CB 4.4Å; W73-C86 HydrophobicContact CE3-CB 3.76Å; W73-C86 HydrophobicContact CH2-CB 4.16Å; W73-C86 HydrophobicContact CZ3-CB 3.66Å
74N91.9Very high85.4Confident30 Ų3071.5 Ų71.516%0.1635%0.35CS..EExtended strand (participates in β ladder)trans-91110.9172.5-175.8-22.7000110.2L56 T76 K77 F85 C87L56-N74 HydrophobicContact CD2-CB 4.06Å; N74-T76 VanDerWaalsContact C-N 3.29Å; N74-T76 PolarHBondContact O-N 3.14Å; N74-T76 WeakPolarHBondContact OD1-CB 3.03Å; N74-T76 PolarHBondContact OD1-N 3.04Å; N74-T76 PolarHBondContact OD1-OG1 3.5Å; N74-K77 PolarHBondContact O-N 3.49Å; N74-F85 PolarHBondContact N-O 2.85Å; N74-F85 PolarHBondContact O-N 3.05Å; N74-C87 VanDerWaalsContact CB-SG 3.55Å
75L89.5Confident86Confident16 Ų1668.4 Ų68.48%0.08434%0.336CS..EExtended strand (participates in β ladder)trans-81.4-4.5-176.3-56.1177.2000113.4W18 D55 L57 W78 P84W18-L75 HydrophobicContact CH2-CD1 4.47Å; W18-L75 HydrophobicContact CH2-CD2 3.69Å; W18-L75 HydrophobicContact CZ2-CD1 3.61Å; W18-L75 HydrophobicContact CZ2-CD2 3.67Å; W18-L75 HydrophobicContact CZ2-CG 4.29Å; D55-L75 HydrophobicContact CB-CB 4.29Å; D55-L75 WeakPolarHBondContact O-CB 3.41Å; D55-L75 PolarHBondContact O-N 3.11Å; L57-L75 HydrophobicContact CB-CD1 4.08Å; L57-L75 HydrophobicContact CB-CD2 4.11Å; L57-L75 HydrophobicContact CB-CG 4.21Å; L75-W78 HydrophobicContact CD2-CZ2 4.16Å; L75-W78 PolarHBondContact O-NE1 2.87Å; L75-P84 HydrophobicContact CD2-CB 4.04Å; L75-P84 HydrophobicContact CD2-CG 4.2Å
76T87.9Confident86.8Confident85 Ų8565.8 Ų65.852%0.52132%0.321SS..EExtended strand (participates in β ladder)trans-80.1-26.4170.166.80000111.8D55 N74D55-T76 HydrophobicContact CB-CG2 3.51Å; D55-T76 WeakPolarHBondContact OD2-CG2 3.13Å; N74-T76 VanDerWaalsContact C-N 3.29Å; N74-T76 PolarHBondContact O-N 3.14Å; N74-T76 WeakPolarHBondContact OD1-CB 3.03Å; N74-T76 PolarHBondContact OD1-N 3.04Å; N74-T76 PolarHBondContact OD1-OG1 3.5Å
77K86.1Confident87.5Confident128 Ų12860.5 Ų60.556%0.55730%0.303SS*.EExtended strand (participates in β ladder)trans-112.196.1-174.8-68-178-177.5-179.30110.1N74 P84 F85N74-K77 PolarHBondContact O-N 3.49Å; K77-P84 CarbonylContact O-C 3.52Å; K77-P84 WeakPolarHBondContact O-CA 3.35Å; K77-F85 HydrophobicContact CB-CB 3.82Å; K77-F85 WeakPolarHBondContact O-CB 2.98Å; K77-F85 PolarHBondContact O-N 2.93Å
78W83.5Confident87.8Confident75 Ų7555.7 Ų55.728%0.28428%0.28SS..EExtended strand (participates in β ladder)trans-96.2137.8173.1-66.972.2000110.3W18 F38 L75 M82 P84W18-W78 HydrophobicContact CH2-CH2 4.37Å; F38-W78 HydrophobicContact CD1-CH2 4.43Å; L75-W78 HydrophobicContact CD2-CZ2 4.16Å; L75-W78 PolarHBondContact O-NE1 2.87Å; W78-M82 VanDerWaalsContact CE3-C 3.5Å; W78-M82 WeakPolarHBondContact CZ3-O 3.49Å; W78-P84 HydrophobicContact CD2-CB 4.43Å
79T82.2Confident87.8Confident62 Ų6259 Ų5938%0.3830%0.301SS..  trans-77.6165.7170.875.70000110.4K81 M82 T83T79-K81 PolarHBondContact O-N 2.89Å; T79-K81 PolarHBondContact OG1-N 3.36Å; T79-M82 PolarHBondContact O-N 3.28Å; T79-T83 WeakPolarHBondContact CG2-O 3.15Å; T79-T83 PolarHBondContact N-O 2.98Å; T79-T83 PolarHBondContact OG1-O 3.33Å; T79-T83 PolarHBondContact OG1-OG1 2.87Å
80N77Confident87.8Confident177 Ų17759.1 Ų59.195%0.94730%0.301SS*.THydrogen-bonded Turntrans-57.8-18175-65.7-4.6000113.8M82N80-M82 VanDerWaalsContact C-N 3.27Å; N80-M82 PolarHBondContact O-N 3.18Å
81K75.7Confident87.6Confident181 Ų18161.4 Ų61.479%0.78732%0.317SS*.THydrogen-bonded Turntrans-88.814.2177-65-173.1178.2-177.60113.3T79 T83T79-K81 PolarHBondContact O-N 2.89Å; T79-K81 PolarHBondContact OG1-N 3.36Å; K81-T83 HydrophobicContact CB-CG2 4.31Å; K81-T83 PolarHBondContact O-N 3.41Å
82M80.4Confident87.3Confident110 Ų11060.2 Ų60.254%0.54231%0.312SS..SBendtrans5536.1-173.1-58.2-174.268.200112.8T36 W78 T79 N80T36-M82 HydrophobicContact CG2-CE 3.83Å; W78-M82 VanDerWaalsContact CE3-C 3.5Å; W78-M82 WeakPolarHBondContact CZ3-O 3.49Å; T79-M82 PolarHBondContact O-N 3.28Å; N80-M82 VanDerWaalsContact C-N 3.27Å; N80-M82 PolarHBondContact O-N 3.18Å
83T86Confident86.8Confident45 Ų4561.2 Ų61.228%0.27632%0.318SS..  trans-111.9132.4171.268.70000109.3F38 T79 K81F38-T83 HydrophobicContact CB-CG2 4.25Å; T79-T83 WeakPolarHBondContact CG2-O 3.15Å; T79-T83 PolarHBondContact N-O 2.98Å; T79-T83 PolarHBondContact OG1-O 3.33Å; T79-T83 PolarHBondContact OG1-OG1 2.87Å; K81-T83 HydrophobicContact CB-CG2 4.31Å; K81-T83 PolarHBondContact O-N 3.41Å
84P90.4Very high86.1Confident3 Ų360.7 Ų60.72%0.01932%0.317CS..EExtended strand (participates in β ladder)trans-68.2159.1175.226.9-30.7000111.5F38 W73 L75 K77 W78 C86F38-P84 HydrophobicContact CD1-CG 3.91Å; F38-P84 HydrophobicContact CD2-CG 4.05Å; F38-P84 HydrophobicContact CE1-CG 3.53Å; F38-P84 HydrophobicContact CE2-CG 3.71Å; F38-P84 VanDerWaalsContact CG-CD 3.48Å; F38-P84 HydrophobicContact CG-CG 4.15Å; F38-P84 HydrophobicContact CZ-CG 3.44Å; F38-P84 VanDerWaalsContact CZ-CG 3.44Å; W73-P84 HydrophobicContact CB-CB 4.34Å; W73-P84 HydrophobicContact CB-CG 4.15Å; W73-P84 HydrophobicContact CD2-CG 4.33Å; W73-P84 HydrophobicContact CE3-CB 4.47Å; W73-P84 HydrophobicContact CE3-CG 3.87Å; W73-P84 HydrophobicContact CG-CG 4.47Å; L75-P84 HydrophobicContact CD2-CB 4.04Å; L75-P84 HydrophobicContact CD2-CG 4.2Å; K77-P84 CarbonylContact O-C 3.52Å; K77-P84 WeakPolarHBondContact O-CA 3.35Å; W78-P84 HydrophobicContact CD2-CB 4.43Å; P84-C86 PolarHBondContact O-N 3.37Å
85F90.4Very high85.4Confident107 Ų10763.7 Ų63.747%0.46934%0.34SS..EExtended strand (participates in β ladder)trans-75.1122.5179.4179.3-99.3000110.8W73 N74 K77 C87W73-F85 WeakPolarHBondContact CA-O 3.28Å; N74-F85 PolarHBondContact N-O 2.85Å; N74-F85 PolarHBondContact O-N 3.05Å; K77-F85 HydrophobicContact CB-CB 3.82Å; K77-F85 WeakPolarHBondContact O-CB 2.98Å; K77-F85 PolarHBondContact O-N 2.93Å; F85-C87 PolarHBondContact O-N 3.33Å
86C89.5Confident84.7Confident37 Ų3767 Ų6725%0.2538%0.379CS..EExtended strand (participates in β ladder)trans-81.9109.2175.2-167.60000110.2V72 W73 P84 R88V72-C86 CarbonylContact O-C 3.58Å; V72-C86 WeakPolarHBondContact O-CA 3.46Å; W73-C86 HydrophobicContact CD2-CB 4.4Å; W73-C86 HydrophobicContact CE3-CB 3.76Å; W73-C86 HydrophobicContact CH2-CB 4.16Å; W73-C86 HydrophobicContact CZ3-CB 3.66Å; P84-C86 PolarHBondContact O-N 3.37Å; C86-R88 PolarHBondContact SG-O 3.39Å; C86-R88 VanDerWaalsContact SG-O 3.33Å
87C89.6Confident84.3Confident42 Ų4266.4 Ų66.428%0.28437%0.372SS..EExtended strand (participates in β ladder)trans-75.1-33.9179.9-66.80000113V72 N74 F85V72-C87 PolarHBondContact O-N 2.84Å; N74-C87 VanDerWaalsContact CB-SG 3.55Å; F85-C87 PolarHBondContact O-N 3.33Å
88R89.6Confident83.9Confident10 Ų1064.8 Ų64.84%0.03837%0.374CS..EExtended strand (participates in β ladder)trans-149.3141.1-170.9174.8177.4179.2-179.5-0.4110.5K71 V72 C86 T90 I130 E133 C136K71-R88 VanDerWaalsContact CA-O 3.28Å; K71-R88 WeakPolarHBondContact CA-O 3.41Å; V72-R88 HydrophobicContact CB-CB 4.07Å; V72-R88 HydrophobicContact CG2-CB 4.02Å; V72-R88 HydrophobicContact CG2-CG 4.44Å; V72-R88 PolarHBondContact N-O 2.78Å; C86-R88 PolarHBondContact SG-O 3.39Å; C86-R88 VanDerWaalsContact SG-O 3.33Å; R88-T90 PolarHBondContact NE-OG1 2.86Å; R88-T90 PolarHBondContact NH2-OG1 3.45Å; R88-I130 WeakPolarHBondContact CD-O 3.49Å; R88-I130 PolarHBondContact NH1-O 3.47Å; R88-E133 HydrophobicContact CG-CB 4.29Å; R88-C136 PolarHBondContact NH1-SG 3.32Å; R88-C136 VanDerWaalsContact NH1-SG 3.44Å
89V90.3Very high83.5Confident75 Ų7565.3 Ų65.346%0.45538%0.383SS..EExtended strand (participates in β ladder)trans-130.8121.3167.7-174.60000106.9L70 K71L70-V89 WeakPolarHBondContact O-CA 3.33Å; K71-V89 HydrophobicContact CG-CG1 4.17Å; K71-V89 HydrophobicContact CG-CG2 4.14Å
90T89.1Confident83.4Confident10 Ų1062.6 Ų62.66%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-137.2136.3179.7-65.30000109.6S69 L70 R88 V92 F126 E133S69-T90 WeakPolarHBondContact CA-O 3.17Å; L70-T90 PolarHBondContact N-O 3.06Å; L70-T90 PolarHBondContact O-N 2.92Å; R88-T90 PolarHBondContact NE-OG1 2.86Å; R88-T90 PolarHBondContact NH2-OG1 3.45Å; T90-V92 PolarHBondContact O-N 3.11Å; T90-F126 HydrophobicContact CG2-CE1 4.25Å; T90-E133 WeakPolarHBondContact CB-OE1 3.35Å; T90-E133 WeakPolarHBondContact CG2-OE1 3.32Å; T90-E133 VanDerWaalsContact OG1-CD 3.26Å; T90-E133 PolarHBondContact OG1-OE1 3.49Å
91S88.5Confident83.8Confident50 Ų5058 Ų5835%0.3534%0.336SS..EExtended strand (participates in β ladder)trans-67.6132.4171.2-178.20000110.5
92V87.2Confident84.5Confident1 Ų150.1 Ų50.11%0.00630%0.303CS..  trans-75.9-36.8-177.6-178.80000111.5I60 I68 L70 T90 P94 V102 L116 H118 Q124I60-V92 HydrophobicContact CG2-CG2 4.02Å; I68-V92 HydrophobicContact CG2-CB 4.31Å; I68-V92 HydrophobicContact CG2-CG2 4.09Å; I68-V92 PolarHBondContact O-N 3.03Å; I68-V92 VanDerWaalsContact O-N 3.08Å; L70-V92 HydrophobicContact CB-CG2 3.74Å; T90-V92 PolarHBondContact O-N 3.11Å; V92-P94 WeakPolarHBondContact O-CD 3.43Å; V92-V102 HydrophobicContact CB-CG2 4.15Å; V92-V102 HydrophobicContact CG1-CG2 3.14Å; V92-V102 HydrophobicContact CG2-CG2 4.32Å; V92-L116 HydrophobicContact CG1-CD1 3.53Å; V92-H118 VanDerWaalsContact CG1-CE1 3.49Å; V92-H118 WeakPolarHBondContact CG1-CE1 3.29Å; V92-Q124 PolarHBondContact O-NE2 3.45Å; V92-Q124 PolarHBondContact O-OE1 3.19Å; V92-Q124 VanDerWaalsContact O-OE1 3.07Å
93T84.1Confident84.9Confident21 Ų2147.3 Ų47.313%0.12929%0.292CS..SBendtrans-58.4124.5-176.7-45.80000110.7S95 L97 P98 L99T93-S95 PolarHBondContact O-N 3.24Å; T93-L97 WeakPolarHBondContact CG2-O 3.49Å; T93-P98 WeakPolarHBondContact CG2-O 3.47Å; T93-L99 WeakPolarHBondContact OG1-CD1 3.48Å
94P79.8Confident85.2Confident10 Ų1046 Ų467%0.06529%0.285CS..PPolyproline II helixtrans-58.8140.3173.6-21.832.2000110.7V92 G96 L97 I140V92-P94 WeakPolarHBondContact O-CD 3.43Å; P94-G96 PolarHBondContact O-N 2.84Å; P94-L97 HydrophobicContact CB-CB 4.39Å; P94-L97 HydrophobicContact CB-CD1 3.86Å; P94-L97 HydrophobicContact CG-CD1 4.18Å; P94-L97 PolarHBondContact O-N 2.88Å; P94-L97 VanDerWaalsContact O-N 3.16Å; P94-I140 HydrophobicContact CB-CD1 4.44Å
95S75.9Confident85.3Confident92 Ų9246.9 Ų46.964%0.64329%0.289SS*.THydrogen-bonded Turntrans-62.1127.4-178.1-78.50000112.2T93 R138T93-S95 PolarHBondContact O-N 3.24Å; S95-R138 PolarHBondContact OG-NH1 2.95Å; S95-R138 PolarHBondContact OG-NH2 2.9Å
96G75.1Confident85.4Confident87 Ų8742.2 Ų42.290%0.89727%0.271SS*.THydrogen-bonded Turntrans90.6-4.2179.200000114.6P94P94-G96 PolarHBondContact O-N 2.84Å
97L80.9Confident85.6Confident71 Ų7141.3 Ų41.337%0.37226%0.263SS..SBendtrans-103.5153.9177.4-74.3171.9000111.5T93 P94 I122 I140T93-L97 WeakPolarHBondContact CG2-O 3.49Å; P94-L97 HydrophobicContact CB-CB 4.39Å; P94-L97 HydrophobicContact CB-CD1 3.86Å; P94-L97 HydrophobicContact CG-CD1 4.18Å; P94-L97 PolarHBondContact O-N 2.88Å; P94-L97 VanDerWaalsContact O-N 3.16Å; L97-I122 HydrophobicContact CD1-CD1 3.51Å; L97-I140 HydrophobicContact CD1-CD1 3.95Å
98P77.5Confident85.7Confident94 Ų9440.1 Ų40.161%0.6125%0.254SS*.PPolyproline II helixtrans-62.7157176.127.7-35.1000111.2T93 A100T93-P98 WeakPolarHBondContact CG2-O 3.47Å; P98-A100 PolarHBondContact O-N 2.85Å
99L75.1Confident85.6Confident87 Ų8741.8 Ų41.846%0.45526%0.262SS..PPolyproline II helixtrans-53.5121.6175.1-174.370.5000109.9I68 T93I68-L99 HydrophobicContact CB-CD1 4.31Å; I68-L99 HydrophobicContact CD1-CD1 3.79Å; I68-L99 HydrophobicContact CD1-CD2 4.42Å; I68-L99 HydrophobicContact CD1-CG 4.07Å; I68-L99 HydrophobicContact CG1-CD1 3.93Å; T93-L99 WeakPolarHBondContact OG1-CD1 3.48Å
100A79.7Confident85.4Confident4 Ų439.9 Ų39.93%0.03326%0.257CS..  trans-127135.6176.600000109.3P98 H118P98-A100 PolarHBondContact O-N 2.85Å; A100-H118 HydrophobicContact CB-CB 4.31Å
101Y85.5Confident85.5Confident80 Ų8040.6 Ų40.631%0.31426%0.261SS..  trans-76.1144.7175.9-70.3-85.7000110.9H46 I68 H118 V119H46-Y101 AromaticContact NE2-CE1 3.68Å; I68-Y101 HydrophobicContact CD1-CD1 3.44Å; I68-Y101 VanDerWaalsContact CD1-CD1 3.44Å; I68-Y101 HydrophobicContact CD1-CE1 3.61Å; I68-Y101 HydrophobicContact CD1-CG 3.98Å; I68-Y101 HydrophobicContact CG1-CE1 4.43Å; Y101-H118 CarbonylContact O-C 3.49Å; Y101-H118 WeakPolarHBondContact O-CA 3.39Å; Y101-V119 PolarHBondContact O-N 3.38Å
102V90.5Very high85.5Confident16 Ų1643.5 Ų43.510%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-83.3127.2172.1-174.80000109.1L47 I60 V92 C104 L116 G117L47-V102 HydrophobicContact CD2-CG1 4.15Å; I60-V102 HydrophobicContact CD1-CB 4.18Å; I60-V102 HydrophobicContact CD1-CG1 3.92Å; I60-V102 HydrophobicContact CD1-CG2 4.08Å; I60-V102 HydrophobicContact CG2-CB 4.43Å; I60-V102 HydrophobicContact CG2-CG2 4.15Å; V92-V102 HydrophobicContact CB-CG2 4.15Å; V92-V102 HydrophobicContact CG1-CG2 3.14Å; V92-V102 HydrophobicContact CG2-CG2 4.32Å; V102-C104 WeakPolarHBondContact CG1-O 3.33Å; V102-L116 HydrophobicContact CG1-CB 4.4Å; V102-L116 HydrophobicContact CG1-CD2 4.48Å; V102-G117 CarbonylContact C-O 3.53Å; V102-G117 WeakPolarHBondContact CA-O 3.25Å; V102-G117 WeakPolarHBondContact CG1-O 3.22Å
103T88.9Confident85.7Confident52 Ų5245 Ų4532%0.31927%0.274SS..EExtended strand (participates in β ladder)trans-95-38.3178.549.50000112G117 V119 V148T103-G117 PolarHBondContact N-O 3.42Å; T103-G117 PolarHBondContact OG1-O 3.39Å; T103-G117 VanDerWaalsContact OG1-O 3.07Å; T103-V119 HydrophobicContact CG2-CB 3.95Å; T103-V119 HydrophobicContact CG2-CG2 4.39Å; T103-V148 WeakPolarHBondContact CB-O 3.18Å; T103-V148 PolarHBondContact OG1-O 2.8Å
104C90.8Very high86.1Confident17 Ų1744 Ų4412%0.11527%0.268CS..EExtended strand (participates in β ladder)trans-150.1158.7-179.1560000112.1V102 G117V102-C104 WeakPolarHBondContact CG1-O 3.33Å; C104-G117 PolarHBondContact O-N 2.77Å
105L93.6Very high86.8Confident22 Ų2243.5 Ų43.512%0.11527%0.265CS..EExtended strand (participates in β ladder)trans-139.3134-174.5165.466.9000108.7L47 H49 I58 I107 M114 V115 L116L47-L105 HydrophobicContact CD2-CB 3.48Å; L47-L105 VanDerWaalsContact CD2-CB 3.48Å; L47-L105 HydrophobicContact CD2-CD2 4.34Å; H49-L105 HydrophobicContact CB-CD2 3.58Å; H49-L105 HydrophobicContact CB-CG 4.4Å; I58-L105 HydrophobicContact CB-CD2 4.37Å; I58-L105 HydrophobicContact CG2-CD2 4.03Å; L105-I107 HydrophobicContact CD1-CD1 3.89Å; L105-I107 HydrophobicContact CD1-CG1 3.67Å; L105-I107 HydrophobicContact CD2-CD1 3.97Å; L105-I107 HydrophobicContact CD2-CG1 4.47Å; L105-I107 HydrophobicContact CG-CD1 4.1Å; L105-I107 HydrophobicContact CG-CG1 4.04Å; L105-M114 HydrophobicContact CD1-CG 3.74Å; L105-M114 HydrophobicContact CD1-SD 4.13Å; L105-V115 WeakPolarHBondContact CA-O 3.46Å; L105-L116 HydrophobicContact CB-CD2 4.36Å; L105-L116 HydrophobicContact CD1-CD2 3.26Å; L105-L116 HydrophobicContact CG-CD2 4.34Å
106A93Very high87.7Confident9 Ų939.1 Ų39.17%0.07423%0.234CC..EExtended strand (participates in β ladder)trans-128.8133.7169.700000109.8V115 L151 L153A106-V115 PolarHBondContact N-O 3.38Å; A106-V115 PolarHBondContact O-N 3.5Å; A106-L151 HydrophobicContact CB-CB 3.83Å; A106-L153 HydrophobicContact CB-CB 3.97Å
107I93.6Very high88.6Confident17 Ų1735 Ų359%0.08719%0.191CC..EExtended strand (participates in β ladder)trans-128.6138.6-176.3-65.4177.5000109.3M51 I58 L105 M114 I130M51-I107 HydrophobicContact CE-CG2 3.65Å; M51-I107 HydrophobicContact SD-CG2 3.95Å; I58-I107 HydrophobicContact CB-CD1 4.23Å; I58-I107 HydrophobicContact CD1-CD1 3.37Å; I58-I107 HydrophobicContact CG1-CD1 3.64Å; L105-I107 HydrophobicContact CD1-CD1 3.89Å; L105-I107 HydrophobicContact CD1-CG1 3.67Å; L105-I107 HydrophobicContact CD2-CD1 3.97Å; L105-I107 HydrophobicContact CD2-CG1 4.47Å; L105-I107 HydrophobicContact CG-CD1 4.1Å; L105-I107 HydrophobicContact CG-CG1 4.04Å; I107-M114 HydrophobicContact CD1-CG 4.45Å; I107-M114 HydrophobicContact CD1-SD 4.27Å; I107-M114 HydrophobicContact CG1-CB 4.26Å; I107-M114 HydrophobicContact CG1-CG 3.95Å; I107-M114 HydrophobicContact CG1-SD 4.4Å; I107-I130 HydrophobicContact CG2-CD1 3.43Å; I107-I130 VanDerWaalsContact CG2-CD1 3.43Å
108D91.2Very high89.2Confident18 Ų1831.6 Ų31.610%0.09617%0.174CC..  trans-77.8132.9171.916543.3000110.2M51 G110 L111 H112 Y113 L153 V155M51-D108 WeakPolarHBondContact CE-O 3.36Å; D108-G110 PolarHBondContact O-N 2.92Å; D108-G110 PolarHBondContact OD1-N 2.87Å; D108-G110 WeakPolarHBondContact OD2-CA 3.29Å; D108-G110 PolarHBondContact OD2-N 2.76Å; D108-L111 PolarHBondContact O-N 2.88Å; D108-H112 PolarHBondContact OD2-N 2.8Å; D108-Y113 WeakPolarHBondContact CB-O 3.37Å; D108-Y113 PolarHBondContact N-O 3.11Å; D108-L153 HydrophobicContact CB-CD2 3.79Å; D108-L153 HydrophobicContact CB-CG 4.44Å; D108-V155 HydrophobicContact CB-CG2 3.74Å; D108-V155 VanDerWaalsContact CG-CG2 3.48Å; D108-V155 WeakPolarHBondContact OD1-CB 2.94Å
109E87.1Confident89.7Confident45 Ų4530 Ų3021%0.2116%0.163CC..THydrogen-bonded Turntrans-63.3-21.5175.1-64.3-65.5168.100111.9M51 K52 E53 H54 L111M51-E109 WeakPolarHBondContact CE-OE2 3.39Å; K52-E109 VanDerWaalsContact CB-OE1 3.3Å; K52-E109 WeakPolarHBondContact CB-OE1 3.49Å; K52-E109 PolarHBondContact N-OE1 2.77Å; K52-E109 VanDerWaalsContact N-OE1 3.16Å; K52-E109 PolarHBondContact N-OE2 2.7Å; E53-E109 HydrophobicContact CB-CB 4.3Å; E53-E109 HydrophobicContact CB-CG 4.49Å; E53-E109 VanDerWaalsContact CB-OE2 3.32Å; E53-E109 WeakPolarHBondContact CB-OE2 3.23Å; E53-E109 HydrophobicContact CG-CB 4.2Å; E53-E109 HydrophobicContact CG-CG 4.14Å; E53-E109 PolarHBondContact N-OE2 3.44Å; H54-E109 PolarHBondContact CD2-O 3.38Å; H54-E109 VanDerWaalsContact CD2-O 3.25Å; H54-E109 PolarHBondContact NE2-O 2.88Å; E109-L111 PolarHBondContact O-N 2.81Å
110G87.5Confident90.4Very high34 Ų3428.5 Ų28.535%0.35116%0.155SC..THydrogen-bonded Turntrans-70.6-4.6168.600000115.3D108 H112D108-G110 PolarHBondContact O-N 2.92Å; D108-G110 PolarHBondContact OD1-N 2.87Å; D108-G110 WeakPolarHBondContact OD2-CA 3.29Å; D108-G110 PolarHBondContact OD2-N 2.76Å; G110-H112 PolarHBondContact O-CD2 2.84Å; G110-H112 VanDerWaalsContact O-CD2 3.28Å; G110-H112 PolarHBondContact O-CE1 2.99Å; G110-H112 PolarHBondContact O-N 3.06Å; G110-H112 PolarHBondContact O-NE2 3Å
111L89.4Confident90.9Very high26 Ų2628.3 Ų28.314%0.13615%0.153CC..SBendtrans58.424.5-176.8-57.4174.8000114.6M51 L56 D108 E109 G128 I130 T131M51-L111 HydrophobicContact CE-CD2 3.49Å; M51-L111 VanDerWaalsContact CE-CD2 3.49Å; M51-L111 HydrophobicContact CE-CG 4.41Å; M51-L111 HydrophobicContact SD-CD2 3.2Å; M51-L111 WeakPolarHBondContact SD-CD2 3.4Å; L56-L111 HydrophobicContact CD1-CD1 3.97Å; L56-L111 HydrophobicContact CD1-CD2 3.81Å; D108-L111 PolarHBondContact O-N 2.88Å; E109-L111 PolarHBondContact O-N 2.81Å; L111-G128 VanDerWaalsContact O-O 3.1Å; L111-I130 HydrophobicContact CB-CD1 4.48Å; L111-I130 HydrophobicContact CD2-CD1 4.26Å; L111-I130 WeakPolarHBondContact O-CG1 3.47Å; L111-I130 PolarHBondContact O-N 3.28Å; L111-T131 HydrophobicContact CD1-CG2 4.45Å
112H88.9Confident91.3Very high111 Ų11124.5 Ų24.551%0.51414%0.138SC..SBendtrans-103.8-23.9-177.1-65-42.2000113.9D108 G110 K127 G128D108-H112 PolarHBondContact OD2-N 2.8Å; G110-H112 PolarHBondContact O-CD2 2.84Å; G110-H112 VanDerWaalsContact O-CD2 3.28Å; G110-H112 PolarHBondContact O-CE1 2.99Å; G110-H112 PolarHBondContact O-N 3.06Å; G110-H112 PolarHBondContact O-NE2 3Å; H112-K127 WeakPolarHBondContact O-CA 3.37Å; H112-G128 CarbonylContact C-O 3.51Å; H112-G128 PolarHBondContact O-N 2.85Å
113Y91.5Very high91.4Very high31 Ų3123.8 Ų23.812%0.12213%0.134CC..EExtended strand (participates in β ladder)trans-134.1136.4-176.9-65.2-82.4000110.7D108 L125 F126 K127 V155 P183 L198D108-Y113 WeakPolarHBondContact CB-O 3.37Å; D108-Y113 PolarHBondContact N-O 3.11Å; Y113-L125 HydrophobicContact CD1-CD1 4.17Å; Y113-F126 WeakPolarHBondContact CA-O 3.47Å; Y113-K127 HydrophobicContact CD1-CB 4.29Å; Y113-K127 HydrophobicContact CD1-CG 4.15Å; Y113-K127 HydrophobicContact CE1-CB 4.22Å; Y113-K127 HydrophobicContact CE1-CD 3.81Å; Y113-K127 HydrophobicContact CE1-CG 3.7Å; Y113-K127 WeakPolarHBondContact OH-CE 3.42Å; Y113-K127 PolarHBondContact OH-NZ 2.8Å; Y113-V155 HydrophobicContact CD2-CG1 4.37Å; Y113-V155 HydrophobicContact CD2-CG2 3.85Å; Y113-V155 HydrophobicContact CE2-CG1 4.38Å; Y113-P183 HydrophobicContact CE2-CB 4.39Å; Y113-P183 HydrophobicContact CE2-CG 3.86Å; Y113-L198 HydrophobicContact CD1-CD1 4.34Å; Y113-L198 HydrophobicContact CE1-CD1 4.24Å
114M92.6Very high91.6Very high0 Ų021.4 Ų21.40%012%0.119CC..EExtended strand (participates in β ladder)trans-138.6132.1173.4169.1174.978.400108.8L70 L105 I107 L116 F126 I130L70-M114 HydrophobicContact CD1-CE 3.73Å; L70-M114 HydrophobicContact CD1-SD 3.71Å; L70-M114 HydrophobicContact CD2-CE 4.35Å; L105-M114 HydrophobicContact CD1-CG 3.74Å; L105-M114 HydrophobicContact CD1-SD 4.13Å; I107-M114 HydrophobicContact CD1-CG 4.45Å; I107-M114 HydrophobicContact CD1-SD 4.27Å; I107-M114 HydrophobicContact CG1-CB 4.26Å; I107-M114 HydrophobicContact CG1-CG 3.95Å; I107-M114 HydrophobicContact CG1-SD 4.4Å; M114-L116 HydrophobicContact CG-CD2 4.31Å; M114-F126 HydrophobicContact CB-CB 4.05Å; M114-F126 HydrophobicContact CE-CB 3.85Å; M114-F126 HydrophobicContact CE-CD1 4.07Å; M114-F126 HydrophobicContact CE-CD2 3.65Å; M114-F126 HydrophobicContact CE-CE2 4.18Å; M114-F126 HydrophobicContact CE-CG 3.58Å; M114-F126 PolarHBondContact N-O 2.87Å; M114-F126 WeakPolarHBondContact O-CB 3.47Å; M114-F126 PolarHBondContact O-N 2.65Å; M114-I130 HydrophobicContact CB-CD1 3.92Å; M114-I130 HydrophobicContact CB-CG1 4.14Å; M114-I130 HydrophobicContact SD-CG2 4.27Å
115V94.8Very high91.6Very high0 Ų020.6 Ų20.60%011%0.114CC..EExtended strand (participates in β ladder)trans-122.4130.1-177.4-170.90000109.5L105 A106 V123 Q124 L125 L151 L153 V185L105-V115 WeakPolarHBondContact CA-O 3.46Å; A106-V115 PolarHBondContact N-O 3.38Å; A106-V115 PolarHBondContact O-N 3.5Å; V115-V123 HydrophobicContact CG1-CG1 3.52Å; V115-Q124 CarbonylContact C-O 3.55Å; V115-Q124 VanDerWaalsContact CA-O 3.31Å; V115-Q124 WeakPolarHBondContact CA-O 3.44Å; V115-L125 HydrophobicContact CG2-CD1 3.7Å; V115-L151 HydrophobicContact CB-CD1 4.22Å; V115-L151 HydrophobicContact CG1-CD1 3.81Å; V115-L151 HydrophobicContact CG1-CD2 3.94Å; V115-L151 HydrophobicContact CG1-CG 4.5Å; V115-L153 HydrophobicContact CG2-CD2 4.38Å; V115-V185 HydrophobicContact CG1-CG1 4.06Å; V115-V185 HydrophobicContact CG2-CG1 4.14Å; V115-V185 HydrophobicContact CG2-CG2 4.07Å
116L95Very high91.5Very high0 Ų019.8 Ų19.80%011%0.109CC..EExtended strand (participates in β ladder)trans-113.3131.6176.5-51.6-175.7000110.1I60 L70 V92 V102 L105 M114 V123 Q124 F126I60-L116 HydrophobicContact CD1-CD2 4.19Å; L70-L116 HydrophobicContact CD1-CD1 4.23Å; L70-L116 HydrophobicContact CD1-CD2 4.18Å; V92-L116 HydrophobicContact CG1-CD1 3.53Å; V102-L116 HydrophobicContact CG1-CB 4.4Å; V102-L116 HydrophobicContact CG1-CD2 4.48Å; L105-L116 HydrophobicContact CB-CD2 4.36Å; L105-L116 HydrophobicContact CD1-CD2 3.26Å; L105-L116 HydrophobicContact CG-CD2 4.34Å; M114-L116 HydrophobicContact CG-CD2 4.31Å; L116-V123 CarbonylContact O-C 3.52Å; L116-V123 WeakPolarHBondContact O-CA 3.37Å; L116-Q124 HydrophobicContact CB-CB 4.29Å; L116-Q124 PolarHBondContact N-O 2.99Å; L116-Q124 PolarHBondContact O-N 2.87Å; L116-F126 HydrophobicContact CD1-CD2 4.26Å; L116-F126 HydrophobicContact CD1-CE2 3.5Å; L116-F126 HydrophobicContact CD1-CZ 4.28Å; L116-F126 HydrophobicContact CG-CD2 4.27Å; L116-F126 HydrophobicContact CG-CE2 3.96Å
117G93.6Very high91.3Very high0 Ų021.9 Ų21.90%012%0.117CC..EExtended strand (participates in β ladder)trans-99.6130.1170.900000109.2V102 T103 C104 L151V102-G117 CarbonylContact C-O 3.53Å; V102-G117 WeakPolarHBondContact CA-O 3.25Å; V102-G117 WeakPolarHBondContact CG1-O 3.22Å; T103-G117 PolarHBondContact N-O 3.42Å; T103-G117 PolarHBondContact OG1-O 3.39Å; T103-G117 VanDerWaalsContact OG1-O 3.07Å; C104-G117 PolarHBondContact O-N 2.77Å; G117-L151 VanDerWaalsContact N-CD1 3.3Å
118H93Very high91Very high0 Ų022 Ų220%012%0.122CC..EExtended strand (participates in β ladder)trans-106.9154.2-179.3-66.7-104.4000111.3V92 A100 Y101 N120 G121 I122 Q124 V148V92-H118 VanDerWaalsContact CG1-CE1 3.49Å; V92-H118 WeakPolarHBondContact CG1-CE1 3.29Å; A100-H118 HydrophobicContact CB-CB 4.31Å; Y101-H118 CarbonylContact O-C 3.49Å; Y101-H118 WeakPolarHBondContact O-CA 3.39Å; H118-N120 WeakPolarHBondContact CB-OD1 3.42Å; H118-N120 PolarHBondContact O-N 3.05Å; H118-G121 PolarHBondContact O-N 3.32Å; H118-I122 HydrophobicContact CB-CB 4.13Å; H118-I122 WeakPolarHBondContact CB-O 3.47Å; H118-I122 PolarHBondContact CD2-O 2.75Å; H118-I122 VanDerWaalsContact CD2-O 3.32Å; H118-I122 PolarHBondContact N-O 3.02Å; H118-Q124 PolarHBondContact CE1-OE1 3.13Å; H118-Q124 PolarHBondContact NE2-OE1 3.4Å; H118-V148 PolarHBondContact O-N 2.83Å
119V89.6Confident90.8Very high62 Ų6223 Ų2338%0.37613%0.128SC..THydrogen-bonded Turntrans-63.5-24.817869.90000113.2Y101 T103 G121 P147Y101-V119 PolarHBondContact O-N 3.38Å; T103-V119 HydrophobicContact CG2-CB 3.95Å; T103-V119 HydrophobicContact CG2-CG2 4.39Å; V119-G121 PolarHBondContact O-N 3.21Å; V119-P147 HydrophobicContact CG2-CB 4.33Å; V119-P147 HydrophobicContact CG2-CG 4.26Å; V119-P147 VanDerWaalsContact O-CA 3.29Å; V119-P147 WeakPolarHBondContact O-CA 3.46Å; V119-P147 WeakPolarHBondContact O-CB 3.42Å; V119-P147 VanDerWaalsContact O-CG 3.28Å; V119-P147 WeakPolarHBondContact O-CG 3.42Å
120N89.5Confident90.8Very high54 Ų5421 Ų2129%0.28912%0.118SC..THydrogen-bonded Turntrans-83.66.7174.865.3-4.3000113.3H118 I122H118-N120 WeakPolarHBondContact CB-OD1 3.42Å; H118-N120 PolarHBondContact O-N 3.05Å; N120-I122 WeakPolarHBondContact ND2-CD1 3.45Å; N120-I122 WeakPolarHBondContact OD1-CB 3.45Å; N120-I122 WeakPolarHBondContact OD1-CG1 3.35Å; N120-I122 PolarHBondContact OD1-N 2.89Å
121G89.4Confident90.7Very high0 Ų020.8 Ų20.80%011%0.11CC..SBendtrans90.4-3.4178.400000115H118 V119 V123 F144 C146H118-G121 PolarHBondContact O-N 3.32Å; V119-G121 PolarHBondContact O-N 3.21Å; G121-V123 PolarHBondContact O-N 2.91Å; G121-F144 PolarHBondContact O-N 3.26Å; G121-C146 WeakPolarHBondContact CA-O 3.5Å
122I93.9Very high90.5Very high1 Ų126.9 Ų26.91%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-70.9130.2178.6-64.1178.1000110.5L97 H118 N120 I140 E143L97-I122 HydrophobicContact CD1-CD1 3.51Å; H118-I122 HydrophobicContact CB-CB 4.13Å; H118-I122 WeakPolarHBondContact CB-O 3.47Å; H118-I122 PolarHBondContact CD2-O 2.75Å; H118-I122 VanDerWaalsContact CD2-O 3.32Å; H118-I122 PolarHBondContact N-O 3.02Å; N120-I122 WeakPolarHBondContact ND2-CD1 3.45Å; N120-I122 WeakPolarHBondContact OD1-CB 3.45Å; N120-I122 WeakPolarHBondContact OD1-CG1 3.35Å; N120-I122 PolarHBondContact OD1-N 2.89Å; I122-I140 HydrophobicContact CG2-CG1 4.18Å; I122-I140 HydrophobicContact CG2-CG2 3.99Å; I122-E143 HydrophobicContact CG1-CG 4.05Å
123V93.4Very high89.9Confident0 Ų026.4 Ų26.40%013%0.129CC..EExtended strand (participates in β ladder)trans-102.8111.6166.9-176.30000108.2V115 L116 G121 L141 Y142 F144 V148 L151 A187V115-V123 HydrophobicContact CG1-CG1 3.52Å; L116-V123 CarbonylContact O-C 3.52Å; L116-V123 WeakPolarHBondContact O-CA 3.37Å; G121-V123 PolarHBondContact O-N 2.91Å; V123-L141 HydrophobicContact CB-CB 4.37Å; V123-L141 HydrophobicContact CG1-CB 4.16Å; V123-L141 HydrophobicContact CG1-CD2 3.97Å; V123-L141 WeakPolarHBondContact O-CB 3.48Å; V123-L141 PolarHBondContact O-N 3.28Å; V123-Y142 PolarHBondContact N-O 3.31Å; V123-Y142 PolarHBondContact O-N 2.6Å; V123-F144 HydrophobicContact CG2-CD2 3.91Å; V123-F144 HydrophobicContact CG2-CE2 3.66Å; V123-V148 HydrophobicContact CG2-CG1 4.44Å; V123-V148 HydrophobicContact CG2-CG2 3.87Å; V123-L151 HydrophobicContact CG1-CD2 4.15Å; V123-A187 HydrophobicContact CG2-CB 4.06Å
124Q92.1Very high89.3Confident3 Ų336.9 Ų36.91%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-104.4128.5-176.1-174.3-17716.500110.4V92 V115 L116 H118 F126V92-Q124 PolarHBondContact O-NE2 3.45Å; V92-Q124 PolarHBondContact O-OE1 3.19Å; V92-Q124 VanDerWaalsContact O-OE1 3.07Å; V115-Q124 CarbonylContact C-O 3.55Å; V115-Q124 VanDerWaalsContact CA-O 3.31Å; V115-Q124 WeakPolarHBondContact CA-O 3.44Å; L116-Q124 HydrophobicContact CB-CB 4.29Å; L116-Q124 PolarHBondContact N-O 2.99Å; L116-Q124 PolarHBondContact O-N 2.87Å; H118-Q124 PolarHBondContact CE1-OE1 3.13Å; H118-Q124 PolarHBondContact NE2-OE1 3.4Å; Q124-F126 VanDerWaalsContact CD-CE2 3.43Å; Q124-F126 HydrophobicContact CG-CD2 4.31Å; Q124-F126 HydrophobicContact CG-CE2 3.75Å; Q124-F126 HydrophobicContact CG-CZ 4.39Å
125L91.9Very high88.6Confident0 Ų042.7 Ų42.70%020%0.196CC..EExtended strand (participates in β ladder)trans-107128.4179178.469000110.6Y113 V115 R138 S139 L141 L198Y113-L125 HydrophobicContact CD1-CD1 4.17Å; V115-L125 HydrophobicContact CG2-CD1 3.7Å; L125-R138 CarbonylContact O-C 3.57Å; L125-R138 WeakPolarHBondContact O-CA 3.47Å; L125-S139 PolarHBondContact N-O 2.69Å; L125-S139 PolarHBondContact O-N 3.34Å; L125-L141 HydrophobicContact CB-CB 4.36Å; L125-L141 HydrophobicContact CD2-CD1 4.37Å; L125-L198 HydrophobicContact CD1-CD1 4.26Å; L125-L198 HydrophobicContact CD2-CD1 3.85Å; L125-L198 HydrophobicContact CD2-CD2 4.36Å
126F91Very high88.1Confident5 Ų543.7 Ų43.72%0.02220%0.202CC..EExtended strand (participates in β ladder)trans-107.9123.4168.1-72.2-93.9000108.8T90 Y113 M114 L116 Q124 R138T90-F126 HydrophobicContact CG2-CE1 4.25Å; Y113-F126 WeakPolarHBondContact CA-O 3.47Å; M114-F126 HydrophobicContact CB-CB 4.05Å; M114-F126 HydrophobicContact CE-CB 3.85Å; M114-F126 HydrophobicContact CE-CD1 4.07Å; M114-F126 HydrophobicContact CE-CD2 3.65Å; M114-F126 HydrophobicContact CE-CE2 4.18Å; M114-F126 HydrophobicContact CE-CG 3.58Å; M114-F126 PolarHBondContact N-O 2.87Å; M114-F126 WeakPolarHBondContact O-CB 3.47Å; M114-F126 PolarHBondContact O-N 2.65Å; L116-F126 HydrophobicContact CD1-CD2 4.26Å; L116-F126 HydrophobicContact CD1-CE2 3.5Å; L116-F126 HydrophobicContact CD1-CZ 4.28Å; L116-F126 HydrophobicContact CG-CD2 4.27Å; L116-F126 HydrophobicContact CG-CE2 3.96Å; Q124-F126 VanDerWaalsContact CD-CE2 3.43Å; Q124-F126 HydrophobicContact CG-CD2 4.31Å; Q124-F126 HydrophobicContact CG-CE2 3.75Å; Q124-F126 HydrophobicContact CG-CZ 4.39Å; F126-R138 HydrophobicContact CD1-CB 3.83Å; F126-R138 HydrophobicContact CE1-CB 3.69Å; F126-R138 HydrophobicContact CZ-CB 4.25Å
127K88.1Confident87.7Confident53 Ų5349.4 Ų49.423%0.2323%0.227CC..EExtended strand (participates in β ladder)trans-119.6130.9178-180179.7-178.4165.70110.7H112 Y113 C136 K137 E202H112-K127 WeakPolarHBondContact O-CA 3.37Å; Y113-K127 HydrophobicContact CD1-CB 4.29Å; Y113-K127 HydrophobicContact CD1-CG 4.15Å; Y113-K127 HydrophobicContact CE1-CB 4.22Å; Y113-K127 HydrophobicContact CE1-CD 3.81Å; Y113-K127 HydrophobicContact CE1-CG 3.7Å; Y113-K127 WeakPolarHBondContact OH-CE 3.42Å; Y113-K127 PolarHBondContact OH-NZ 2.8Å; K127-C136 CarbonylContact O-C 3.59Å; K127-C136 WeakPolarHBondContact O-CA 3.46Å; K127-K137 PolarHBondContact N-O 2.93Å; K127-K137 PolarHBondContact O-N 2.75Å; K127-E202 HydrophobicContact CB-CG 4.49Å; K127-E202 HydrophobicContact CD-CG 3.52Å
128G87.5Confident87.3Confident19 Ų1954.9 Ų54.920%0.19625%0.248CC..SBendtrans122.6-175-177.900000110.9L111 H112 I130L111-G128 VanDerWaalsContact O-O 3.1Å; H112-G128 CarbonylContact C-O 3.51Å; H112-G128 PolarHBondContact O-N 2.85Å; G128-I130 PolarHBondContact O-N 3.29Å; G128-I130 VanDerWaalsContact O-N 3.09Å
129D86.4Confident87.1Confident40 Ų4056.7 Ų56.721%0.21426%0.26CS..  trans-60.3113.8-179.1-177.2-10.4000110.7T131 R132D129-T131 VanDerWaalsContact CG-OG1 3.31Å; D129-T131 PolarHBondContact O-N 2.79Å; D129-T131 WeakPolarHBondContact OD1-CB 3.44Å; D129-T131 PolarHBondContact OD1-N 2.8Å; D129-T131 PolarHBondContact OD1-OG1 3.23Å; D129-T131 PolarHBondContact OD2-OG1 2.81Å; D129-R132 HydrophobicContact CB-CB 4.31Å; D129-R132 CarbonylContact O-C 3.6Å; D129-R132 PolarHBondContact O-N 2.82Å; D129-R132 WeakPolarHBondContact OD2-CD 3.42Å; D129-R132 WeakPolarHBondContact OD2-CG 3.3Å; D129-R132 IonicContact OD2-NE 3.8Å
130I87.2Confident87.2Confident1 Ų157.8 Ų57.81%0.00526%0.263CS..THydrogen-bonded Turntrans-61.7-32.5-179.1-64.6172.9000111.2V72 R88 I107 L111 M114 G128 R132V72-I130 HydrophobicContact CG2-CG2 4.19Å; R88-I130 WeakPolarHBondContact CD-O 3.49Å; R88-I130 PolarHBondContact NH1-O 3.47Å; I107-I130 HydrophobicContact CG2-CD1 3.43Å; I107-I130 VanDerWaalsContact CG2-CD1 3.43Å; L111-I130 HydrophobicContact CB-CD1 4.48Å; L111-I130 HydrophobicContact CD2-CD1 4.26Å; L111-I130 WeakPolarHBondContact O-CG1 3.47Å; L111-I130 PolarHBondContact O-N 3.28Å; M114-I130 HydrophobicContact CB-CD1 3.92Å; M114-I130 HydrophobicContact CB-CG1 4.14Å; M114-I130 HydrophobicContact SD-CG2 4.27Å; G128-I130 PolarHBondContact O-N 3.29Å; G128-I130 VanDerWaalsContact O-N 3.09Å; I130-R132 VanDerWaalsContact C-N 3.28Å; I130-R132 PolarHBondContact O-N 2.98Å
131T86.4Confident87.2Confident30 Ų3055.9 Ų55.918%0.18425%0.253CS..THydrogen-bonded Turntrans-74.7-17.6-178.470.90000113.1L56 L111 D129L56-T131 HydrophobicContact CD1-CG2 3.67Å; L56-T131 HydrophobicContact CD2-CG2 4.49Å; L111-T131 HydrophobicContact CD1-CG2 4.45Å; D129-T131 VanDerWaalsContact CG-OG1 3.31Å; D129-T131 PolarHBondContact O-N 2.79Å; D129-T131 WeakPolarHBondContact OD1-CB 3.44Å; D129-T131 PolarHBondContact OD1-N 2.8Å; D129-T131 PolarHBondContact OD1-OG1 3.23Å; D129-T131 PolarHBondContact OD2-OG1 2.81Å
132R84.5Confident87.2Confident155 Ų15559.9 Ų59.959%0.58527%0.269SS*.  trans-126.2110.8-175.2-62.2-178.3-175.2-148.9-0.1112D129 I130 R134 Q135D129-R132 HydrophobicContact CB-CB 4.31Å; D129-R132 CarbonylContact O-C 3.6Å; D129-R132 PolarHBondContact O-N 2.82Å; D129-R132 WeakPolarHBondContact OD2-CD 3.42Å; D129-R132 WeakPolarHBondContact OD2-CG 3.3Å; D129-R132 IonicContact OD2-NE 3.8Å; I130-R132 VanDerWaalsContact C-N 3.28Å; I130-R132 PolarHBondContact O-N 2.98Å; R132-R134 PolarHBondContact O-N 3.29Å; R132-Q135 PolarHBondContact O-N 3Å
133E75.7Confident87.1Confident100 Ų10065.8 Ų65.847%0.46730%0.296SS..G310 helixtrans-58.7-42-179.2-174.1171-137.900114.1R88 T90 Q135 C136R88-E133 HydrophobicContact CG-CB 4.29Å; T90-E133 WeakPolarHBondContact CB-OE1 3.35Å; T90-E133 WeakPolarHBondContact CG2-OE1 3.32Å; T90-E133 VanDerWaalsContact OG1-CD 3.26Å; T90-E133 PolarHBondContact OG1-OE1 3.49Å; E133-Q135 PolarHBondContact O-N 2.79Å; E133-Q135 VanDerWaalsContact O-N 3.09Å; E133-C136 WeakPolarHBondContact O-CB 3.41Å; E133-C136 PolarHBondContact O-N 2.6Å
134R79.2Confident87Confident251 Ų25166.2 Ų66.295%0.94730%0.298SS*.G310 helixtrans-61.6-22.8-175.3-67.3-176.1-177.4175.60.8114.4R132R132-R134 PolarHBondContact O-N 3.29Å
135Q77.7Confident86.9Confident123 Ų12374 Ų7458%0.57534%0.339SS*.G310 helixtrans-101.3-0179.6-67.1-176.1-20.400112.4R132 E133R132-Q135 PolarHBondContact O-N 3Å; E133-Q135 PolarHBondContact O-N 2.79Å; E133-Q135 VanDerWaalsContact O-N 3.09Å
136C84.1Confident86.8Confident21 Ų2175 Ų7514%0.14235%0.345CS..  trans-100.3113.8-175.7-1650000110.1R88 K127 E133R88-C136 PolarHBondContact NH1-SG 3.32Å; R88-C136 VanDerWaalsContact NH1-SG 3.44Å; K127-C136 CarbonylContact O-C 3.59Å; K127-C136 WeakPolarHBondContact O-CA 3.46Å; E133-C136 WeakPolarHBondContact O-CB 3.41Å; E133-C136 PolarHBondContact O-N 2.6Å
137K86.7Confident86.8Confident120 Ų12076.3 Ų76.352%0.52236%0.355SS..EExtended strand (participates in β ladder)trans-93.9127.7175.5-172.4167.3169-139.40109.8K127 E202K127-K137 PolarHBondContact N-O 2.93Å; K127-K137 PolarHBondContact O-N 2.75Å; K137-E202 WeakPolarHBondContact CD-OE1 3.2Å; K137-E202 VanDerWaalsContact CE-OE2 3.26Å; K137-E202 WeakPolarHBondContact CE-OE2 3.45Å; K137-E202 IonicContact NZ-OE1 3.67Å; K137-E202 PolarHBondContact NZ-OE1 2.67Å; K137-E202 IonicContact NZ-OE2 2.82Å; K137-E202 PolarHBondContact NZ-OE2 3.45Å
138R87.1Confident87Confident115 Ų11573.8 Ų73.843%0.43434%0.344SS..EExtended strand (participates in β ladder)trans-103.6141.1-178.967.9-178.8178.8172.5-1.3111.7S95 L125 F126S95-R138 PolarHBondContact OG-NH1 2.95Å; S95-R138 PolarHBondContact OG-NH2 2.9Å; L125-R138 CarbonylContact O-C 3.57Å; L125-R138 WeakPolarHBondContact O-CA 3.47Å; F126-R138 HydrophobicContact CD1-CB 3.83Å; F126-R138 HydrophobicContact CE1-CB 3.69Å; F126-R138 HydrophobicContact CZ-CB 4.25Å
139S88.4Confident87.2Confident37 Ų3773.2 Ų73.226%0.25934%0.336SS..EExtended strand (participates in β ladder)trans-150.2158.717860.10000111.2L125L125-S139 PolarHBondContact N-O 2.69Å; L125-S139 PolarHBondContact O-N 3.34Å
140I90.3Very high87.4Confident86 Ų8671.4 Ų71.444%0.44133%0.327SS..EExtended strand (participates in β ladder)trans-91.3120.3170.4-63.8170.3000107.3P94 L97 I122P94-I140 HydrophobicContact CB-CD1 4.44Å; L97-I140 HydrophobicContact CD1-CD1 3.95Å; I122-I140 HydrophobicContact CG2-CG1 4.18Å; I122-I140 HydrophobicContact CG2-CG2 3.99Å
141L89.4Confident87.8Confident14 Ų1472.3 Ų72.37%0.07333%0.332CS..EExtended strand (participates in β ladder)trans-81.5-47.1-179.5-172.870.6000110.9V123 L125 V185 F196 L198 I204V123-L141 HydrophobicContact CB-CB 4.37Å; V123-L141 HydrophobicContact CG1-CB 4.16Å; V123-L141 HydrophobicContact CG1-CD2 3.97Å; V123-L141 WeakPolarHBondContact O-CB 3.48Å; V123-L141 PolarHBondContact O-N 3.28Å; L125-L141 HydrophobicContact CB-CB 4.36Å; L125-L141 HydrophobicContact CD2-CD1 4.37Å; L141-V185 HydrophobicContact CD2-CB 4.04Å; L141-V185 HydrophobicContact CD2-CG1 3.9Å; L141-V185 HydrophobicContact CD2-CG2 4.17Å; L141-F196 HydrophobicContact CD2-CB 4.08Å; L141-F196 HydrophobicContact CD2-CD2 3.77Å; L141-F196 HydrophobicContact CD2-CE2 4.4Å; L141-F196 HydrophobicContact CD2-CG 3.93Å; L141-F196 HydrophobicContact CG-CD2 4.42Å; L141-F196 HydrophobicContact CG-CG 4.25Å; L141-L198 HydrophobicContact CD1-CD2 3.61Å; L141-I204 HydrophobicContact CD1-CD1 3.66Å; L141-I204 HydrophobicContact CD1-CG1 3.58Å; L141-I204 HydrophobicContact CG-CD1 4.14Å; L141-I204 WeakPolarHBondContact O-CD1 3.33Å
142Y90.6Very high88.1Confident83 Ų8371 Ų7133%0.32533%0.325SS..EExtended strand (participates in β ladder)trans-159.5161.5-178.8-167.6-105.9000111V123 F144 M194 F196V123-Y142 PolarHBondContact N-O 3.31Å; V123-Y142 PolarHBondContact O-N 2.6Å; Y142-F144 HydrophobicContact CD1-CD1 4.11Å; Y142-F144 AromaticContact CD1-CD2 3.84Å; Y142-F144 HydrophobicContact CD1-CD2 3.84Å; Y142-F144 HydrophobicContact CD1-CE1 4.06Å; Y142-F144 AromaticContact CD1-CE2 3.81Å; Y142-F144 HydrophobicContact CD1-CE2 3.81Å; Y142-F144 HydrophobicContact CD1-CG 4Å; Y142-F144 AromaticContact CD1-CZ 3.93Å; Y142-F144 HydrophobicContact CD1-CZ 3.93Å; Y142-F144 AromaticContact CE1-CD1 3.72Å; Y142-F144 HydrophobicContact CE1-CD1 3.72Å; Y142-F144 HydrophobicContact CE1-CD2 4.28Å; Y142-F144 AromaticContact CE1-CE1 3.81Å; Y142-F144 HydrophobicContact CE1-CE1 3.81Å; Y142-F144 HydrophobicContact CE1-CE2 4.37Å; Y142-F144 AromaticContact CE1-CG 3.97Å; Y142-F144 HydrophobicContact CE1-CG 3.97Å; Y142-F144 HydrophobicContact CE1-CZ 4.15Å; Y142-M194 HydrophobicContact CD1-SD 4.36Å; Y142-M194 HydrophobicContact CE1-SD 3.74Å; Y142-M194 HydrophobicContact CE2-SD 4.49Å; Y142-F196 AromaticContact CD1-CZ 4Å; Y142-F196 HydrophobicContact CD1-CZ 4Å; Y142-F196 HydrophobicContact CD2-CE1 4.01Å; Y142-F196 HydrophobicContact CD2-CZ 4.12Å; Y142-F196 AromaticContact CG-CE1 3.95Å; Y142-F196 HydrophobicContact CG-CE1 3.95Å; Y142-F196 AromaticContact CG-CZ 3.61Å; Y142-F196 HydrophobicContact CG-CZ 3.61Å
143E91.7Very high88.5Confident126 Ų12664.4 Ų64.459%0.58930%0.301SS*.EExtended strand (participates in β ladder)trans-130.6109.9176.2-175174.5-17600109.1I122I122-E143 HydrophobicContact CG1-CG 4.05Å
144F91.2Very high89.2Confident8 Ų861.6 Ų61.64%0.03529%0.286CS..  trans-79.3158.6171.6-69.8-81.8000110.9G121 V123 Y142 C146 V148 A187 S192 M194G121-F144 PolarHBondContact O-N 3.26Å; V123-F144 HydrophobicContact CG2-CD2 3.91Å; V123-F144 HydrophobicContact CG2-CE2 3.66Å; Y142-F144 HydrophobicContact CD1-CD1 4.11Å; Y142-F144 AromaticContact CD1-CD2 3.84Å; Y142-F144 HydrophobicContact CD1-CD2 3.84Å; Y142-F144 HydrophobicContact CD1-CE1 4.06Å; Y142-F144 AromaticContact CD1-CE2 3.81Å; Y142-F144 HydrophobicContact CD1-CE2 3.81Å; Y142-F144 HydrophobicContact CD1-CG 4Å; Y142-F144 AromaticContact CD1-CZ 3.93Å; Y142-F144 HydrophobicContact CD1-CZ 3.93Å; Y142-F144 AromaticContact CE1-CD1 3.72Å; Y142-F144 HydrophobicContact CE1-CD1 3.72Å; Y142-F144 HydrophobicContact CE1-CD2 4.28Å; Y142-F144 AromaticContact CE1-CE1 3.81Å; Y142-F144 HydrophobicContact CE1-CE1 3.81Å; Y142-F144 HydrophobicContact CE1-CE2 4.37Å; Y142-F144 AromaticContact CE1-CG 3.97Å; Y142-F144 HydrophobicContact CE1-CG 3.97Å; Y142-F144 HydrophobicContact CE1-CZ 4.15Å; F144-C146 WeakPolarHBondContact CB-O 3.47Å; F144-C146 PolarHBondContact O-N 2.79Å; F144-V148 HydrophobicContact CD2-CG2 4.02Å; F144-A187 HydrophobicContact CE2-CB 3.78Å; F144-A187 HydrophobicContact CZ-CB 4.02Å; F144-S192 WeakPolarHBondContact CD1-OG 3.49Å; F144-S192 VanDerWaalsContact CE1-OG 3.27Å; F144-S192 WeakPolarHBondContact CE1-OG 3.25Å; F144-M194 HydrophobicContact CE1-CB 4.47Å; F144-M194 HydrophobicContact CE1-CG 3.85Å; F144-M194 HydrophobicContact CE1-SD 3.77Å; F144-M194 HydrophobicContact CZ-CB 4.14Å; F144-M194 HydrophobicContact CZ-CG 4.02Å; F144-M194 HydrophobicContact CZ-SD 4.16Å
145L89.4Confident89.6Confident167 Ų16751.3 Ų51.387%0.87425%0.252SS*.SBendtrans-77.6-12.6173.3-62.8175.8000113.3
146C90.1Very high89.6Confident20 Ų2046.4 Ų46.414%0.13523%0.23CC..SBendtrans-131.8161.8-176.5-65.40000109.7G121 F144 E190 Q191G121-C146 WeakPolarHBondContact CA-O 3.5Å; F144-C146 WeakPolarHBondContact CB-O 3.47Å; F144-C146 PolarHBondContact O-N 2.79Å; C146-E190 HydrophobicContact CB-CB 4.14Å; C146-Q191 HydrophobicContact CB-CG 4.44Å; C146-Q191 PolarHBondContact SG-NE2 2.86Å; C146-Q191 VanDerWaalsContact SG-NE2 3.42Å
147P90.9Very high88.9Confident33 Ų3351.5 Ų51.521%0.21426%0.256CS..  trans-51141.1177.7-24.331.4000112.6V119 S189 E190V119-P147 HydrophobicContact CG2-CB 4.33Å; V119-P147 HydrophobicContact CG2-CG 4.26Å; V119-P147 VanDerWaalsContact O-CA 3.29Å; V119-P147 WeakPolarHBondContact O-CA 3.46Å; V119-P147 WeakPolarHBondContact O-CB 3.42Å; V119-P147 VanDerWaalsContact O-CG 3.28Å; V119-P147 WeakPolarHBondContact O-CG 3.42Å; P147-S189 WeakPolarHBondContact O-CA 3.2Å; P147-S189 WeakPolarHBondContact O-CB 3.49Å; P147-E190 PolarHBondContact O-N 3.22Å
148V92.8Very high87.5Confident0 Ų051.5 Ų51.50%026%0.258CS..EExtended strand (participates in β ladder)trans-74.2125.5170.3-171.90000107.8T103 H118 V123 F144 L151 A188T103-V148 WeakPolarHBondContact CB-O 3.18Å; T103-V148 PolarHBondContact OG1-O 2.8Å; H118-V148 PolarHBondContact O-N 2.83Å; V123-V148 HydrophobicContact CG2-CG1 4.44Å; V123-V148 HydrophobicContact CG2-CG2 3.87Å; F144-V148 HydrophobicContact CD2-CG2 4.02Å; V148-L151 HydrophobicContact CG1-CD2 4.15Å; V148-L151 HydrophobicContact CG1-CG 4.18Å; V148-A188 CarbonylContact C-O 2.95Å; V148-A188 WeakPolarHBondContact CA-O 3.47Å; V148-A188 WeakPolarHBondContact CG1-O 3.41Å
149T91Very high85.7Confident7 Ų753.3 Ų53.34%0.04327%0.271CS..EExtended strand (participates in β ladder)trans-107-21.6-174.154.40000113.3A188 E190 V215 P217T149-A188 PolarHBondContact N-O 2.76Å; T149-A188 PolarHBondContact OG1-O 2.89Å; T149-E190 HydrophobicContact CG2-CG 3.55Å; T149-V215 VanDerWaalsContact CB-O 3.22Å; T149-V215 WeakPolarHBondContact CB-O 3.32Å; T149-V215 VanDerWaalsContact CG2-O 3.25Å; T149-V215 WeakPolarHBondContact CG2-O 3.49Å; T149-V215 PolarHBondContact OG1-O 2.82Å; T149-P217 HydrophobicContact CG2-CG 4.03Å
150G91.8Very high83.8Confident2 Ų260.2 Ų60.22%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-156.2148.5-179.300000112.1A188 T220G150-A188 PolarHBondContact N-O 2.7Å; G150-A188 PolarHBondContact O-N 2.85Å; G150-T220 WeakPolarHBondContact CA-OG1 3.09Å
151L94.8Very high81.8Confident21 Ų2159.1 Ų59.111%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-134.4143176.5-74.5172.4000109.8A106 V115 G117 V123 V148 F186 A187A106-L151 HydrophobicContact CB-CB 3.83Å; V115-L151 HydrophobicContact CB-CD1 4.22Å; V115-L151 HydrophobicContact CG1-CD1 3.81Å; V115-L151 HydrophobicContact CG1-CD2 3.94Å; V115-L151 HydrophobicContact CG1-CG 4.5Å; G117-L151 VanDerWaalsContact N-CD1 3.3Å; V123-L151 HydrophobicContact CG1-CD2 4.15Å; V148-L151 HydrophobicContact CG1-CD2 4.15Å; V148-L151 HydrophobicContact CG1-CG 4.18Å; L151-F186 CarbonylContact C-O 3.36Å; L151-F186 WeakPolarHBondContact CA-O 3.45Å; L151-A187 HydrophobicContact CD2-CB 3.71Å
152G92.8Very high79.7Confident3 Ų365.2 Ų65.23%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-130142.7170.100000109.6V185 F186G152-V185 CarbonylContact O-C 3.57Å; G152-V185 WeakPolarHBondContact O-CA 3.33Å; G152-F186 PolarHBondContact N-O 3.03Å; G152-F186 PolarHBondContact O-N 2.81Å
153L92.9Very high77.5Confident16 Ų1669.1 Ų69.18%0.08433%0.334CS..EExtended strand (participates in β ladder)trans-135.2128.2178.4177.260.8000108.6A106 D108 V115 V155 I184 V185A106-L153 HydrophobicContact CB-CB 3.97Å; D108-L153 HydrophobicContact CB-CD2 3.79Å; D108-L153 HydrophobicContact CB-CG 4.44Å; V115-L153 HydrophobicContact CG2-CD2 4.38Å; L153-V155 HydrophobicContact CD1-CG2 4.1Å; L153-V155 HydrophobicContact CG-CG2 4.22Å; L153-I184 WeakPolarHBondContact CA-O 3.24Å; L153-V185 HydrophobicContact CD1-CG2 3.98Å
154Y89.9Confident75.1Confident40 Ų4067.4 Ų67.416%0.15733%0.33CS..EExtended strand (participates in β ladder)trans-128.9125.8171.2173.8-105.2000109.7P156 P183 I184 F224 A231 P233Y154-P156 HydrophobicContact CD1-CG 4.04Å; Y154-P156 HydrophobicContact CE1-CB 4.07Å; Y154-P156 HydrophobicContact CE1-CG 3.62Å; Y154-P183 WeakPolarHBondContact O-CA 3.47Å; Y154-I184 HydrophobicContact CD1-CD1 4.25Å; Y154-I184 PolarHBondContact N-O 2.84Å; Y154-I184 PolarHBondContact O-N 2.79Å; Y154-F224 AromaticContact CD2-CD1 3.81Å; Y154-F224 HydrophobicContact CD2-CD1 3.81Å; Y154-F224 AromaticContact CD2-CE1 3.53Å; Y154-F224 HydrophobicContact CD2-CE1 3.53Å; Y154-F224 HydrophobicContact CE2-CD1 4.13Å; Y154-F224 HydrophobicContact CE2-CE1 4.3Å; Y154-F224 HydrophobicContact CG-CE1 4.35Å; Y154-A231 PolarHBondContact OH-O 2.9Å; Y154-P233 HydrophobicContact CD1-CB 3.81Å; Y154-P233 HydrophobicContact CD1-CG 3.35Å; Y154-P233 HydrophobicContact CD2-CB 3.72Å; Y154-P233 HydrophobicContact CD2-CG 4.15Å; Y154-P233 HydrophobicContact CE1-CB 4.25Å; Y154-P233 HydrophobicContact CE1-CG 3.6Å; Y154-P233 HydrophobicContact CE2-CB 4.18Å; Y154-P233 HydrophobicContact CE2-CG 4.38Å; Y154-P233 HydrophobicContact CG-CB 3.45Å; Y154-P233 VanDerWaalsContact CG-CB 3.45Å; Y154-P233 HydrophobicContact CG-CG 3.59Å
155V87.4Confident72.7Confident36 Ų3675.1 Ų75.122%0.21836%0.363CS..  trans-117.3108.6176.7-1760000107.4D108 Y113 L153 N157 P183D108-V155 HydrophobicContact CB-CG2 3.74Å; D108-V155 VanDerWaalsContact CG-CG2 3.48Å; D108-V155 WeakPolarHBondContact OD1-CB 2.94Å; Y113-V155 HydrophobicContact CD2-CG1 4.37Å; Y113-V155 HydrophobicContact CD2-CG2 3.85Å; Y113-V155 HydrophobicContact CE2-CG1 4.38Å; L153-V155 HydrophobicContact CD1-CG2 4.1Å; L153-V155 HydrophobicContact CG-CG2 4.22Å; V155-N157 PolarHBondContact O-N 2.95Å; V155-P183 HydrophobicContact CG1-CG 4.3Å; V155-P183 HydrophobicContact CG2-CB 4.26Å
156P79.3Confident70.5Confident19 Ų1975.7 Ų75.712%0.12336%0.361CS..  trans-60.5133.3179.4-17.425.9000111.1Y154 H158 C180Y154-P156 HydrophobicContact CD1-CG 4.04Å; Y154-P156 HydrophobicContact CE1-CB 4.07Å; Y154-P156 HydrophobicContact CE1-CG 3.62Å; P156-H158 PolarHBondContact O-N 2.83Å; P156-H158 VanDerWaalsContact O-N 3.16Å; P156-C180 WeakPolarHBondContact CG-O 3.13Å
157N68.3Low68.2Low129 Ų12982.8 Ų82.869%0.6939%0.392SS*.  trans-79.5102.8-179.1-147.8-13000110.2V155 H159 Y160V155-N157 PolarHBondContact O-N 2.95Å; N157-H159 PolarHBondContact O-N 2.88Å; N157-H159 VanDerWaalsContact O-N 3.1Å; N157-Y160 PolarHBondContact O-N 2.99Å
158H57.2Low65.5Low120 Ų12088.3 Ų88.356%0.55642%0.42SS*.THydrogen-bonded Turntrans-61-22.5-174-103-57.2000114.5P156 Y160 H161P156-H158 PolarHBondContact O-N 2.83Å; P156-H158 VanDerWaalsContact O-N 3.16Å; H158-Y160 VanDerWaalsContact C-N 3.34Å; H158-Y160 PolarHBondContact O-N 3.17Å; H158-H161 PolarHBondContact O-N 3.28Å
159H50.5Low62.8Low153 Ų15399.8 Ų99.871%0.70847%0.465SS*.Hα-helixtrans-65.3-33.3-175.4-96.467.7000113.4N157 H161N157-H159 PolarHBondContact O-N 2.88Å; N157-H159 VanDerWaalsContact O-N 3.1Å; H159-H161 VanDerWaalsContact C-N 3.29Å; H159-H161 PolarHBondContact O-N 3.27Å
160Y47.1Very low60.1Low181 Ų181102.3 Ų102.371%0.7149%0.492SS*.Hα-helixtrans-69.1-28-175.5-147-94.7000112.7N157 H158N157-Y160 PolarHBondContact O-N 2.99Å; H158-Y160 VanDerWaalsContact C-N 3.34Å; H158-Y160 PolarHBondContact O-N 3.17Å
161H47.9Very low57.4Low63 Ų63109.8 Ų109.829%0.29253%0.532SS..Hα-helixtrans-94.5-14-177.3-75.7-65.3000115.4H158 H159 K165 F181H158-H161 PolarHBondContact O-N 3.28Å; H159-H161 VanDerWaalsContact C-N 3.29Å; H159-H161 PolarHBondContact O-N 3.27Å; H161-K165 PolarHBondContact O-N 2.99Å; H161-K165 VanDerWaalsContact O-N 3.07Å; H161-F181 AromaticContact CD2-CE1 3.79Å; H161-F181 AromaticContact NE2-CE1 3.99Å
162Q46.1Very low54.5Low142 Ų142114.2 Ų114.266%0.66456%0.564SS**Hα-helixtrans-71.1-32.7173.5-80.9-167.9500112.2
163Q43.6Very low51.8Low165 Ų165120.4 Ų120.477%0.77160%0.597SS**Hα-helixtrans-71.2-39.1174.3-68.3-173.87.400111.7K165Q163-K165 PolarHBondContact O-N 3.22Å
164N42.1Very low49.1Very low91 Ų91127.2 Ų127.249%0.48763%0.632SS.*Hα-helixtrans-80.3-9.5179.5-80-4000115.1Q166 Q167N164-Q166 PolarHBondContact O-N 2.91Å; N164-Q167 PolarHBondContact O-N 3.36Å
165K41.9Very low46.6Very low170 Ų170130.3 Ų130.374%0.73966%0.66SS**THydrogen-bonded Turntrans-67.4-13.1174.3-98.9-175.7177.5-178.20114H161 Q163H161-K165 PolarHBondContact O-N 2.99Å; H161-K165 VanDerWaalsContact O-N 3.07Å; Q163-K165 PolarHBondContact O-N 3.22Å
166Q42.4Very low44.4Very low179 Ų179134.2 Ų134.284%0.83668%0.68SS**THydrogen-bonded Turntrans-90.9-6.6177.8-70.6-171.710.400114.8N164N164-Q166 PolarHBondContact O-N 2.91Å
167Q41Very low42.6Very low168 Ų168140 Ų14079%0.78571%0.708SS**THydrogen-bonded Turntrans-114.7-11.2-175.9-71.2-169.710.700116.6N164N164-Q167 PolarHBondContact O-N 3.36Å
168N35.5Very low41.7Very low150 Ų150138.2 Ų138.280%0.80270%0.699SS**  trans-113.768.3179.4-85.1-12.8000112.7
169Y34.6Very low41.7Very low241 Ų241135.1 Ų135.195%0.94569%0.685SS**  trans-91.879.9155-110.2-89000107.4
170G34.5Very low42.3Very low59 Ų59128.9 Ų128.961%0.60866%0.658SS**SBendtrans160.256.6178.900000116.1
171N34.9Very low43.5Very low160 Ų160125 Ų12586%0.85665%0.645SS**  trans17696.8146.8-103.8-17.8000107.7D173N171-D173 VanDerWaalsContact C-N 3.26Å
172S35.4Very low45.2Very low113 Ų113123.6 Ų123.679%0.7964%0.639SS**  trans-84.84.6176.447.60000113.5
173D35.4Very low47.3Very low133 Ų133117.6 Ų117.671%0.71161%0.613SS**SBendtrans-117.7113.4-172.6-64.3-36.5000111.8N171N171-D173 VanDerWaalsContact C-N 3.26Å
174L35.3Very low49.6Very low159 Ų159109.8 Ų109.883%0.83258%0.576SS**SBendtrans79.863143.2-144.173.3000119.6
175S38.5Very low52Low106 Ų106105.4 Ų105.474%0.74155%0.553SS**SBendtrans-167.6-13.3146.7610000116.4I177S175-I177 VanDerWaalsContact C-N 3.35Å; S175-I177 PolarHBondContact O-N 2.72Å
176N40.3Very low54.6Low118 Ų11897.3 Ų97.363%0.63152%0.518SS*.G310 helixtrans-89.923.2-171.1-73.7-6.8000115.7N178N176-N178 PolarHBondContact O-N 3.25Å
177I41.7Very low57Low141 Ų14188.8 Ų88.872%0.72348%0.478SS*.G310 helixtrans-67.5-23.3-173.4-67.6173.3000112.7S175S175-I177 VanDerWaalsContact C-N 3.35Å; S175-I177 PolarHBondContact O-N 2.72Å
178N48.9Very low59.6Low91 Ų9180.8 Ų80.849%0.48744%0.441SS..G310 helixtrans-100.4-0.3-172.6-72.24000115.6N176 C180 W248N176-N178 PolarHBondContact O-N 3.25Å; N178-C180 PolarHBondContact O-N 2.91Å; N178-W248 PolarHBondContact O-NE1 3.1Å
179Q58Low62.4Low55 Ų5573.7 Ų73.726%0.25740%0.403SS..  trans-83.3100176.7-90.5177.5-500111.7F181 T229Q179-F181 HydrophobicContact CB-CZ 4.33Å; Q179-F181 WeakPolarHBondContact O-CE2 2.97Å; Q179-T229 PolarHBondContact NE2-O 3.08Å
180C63.2Low64.9Low22 Ų2267.3 Ų67.315%0.14938%0.381CS..  trans-83.3116.4172.9-178.80000110.5P156 N178 D182 I184 V197 W248P156-C180 WeakPolarHBondContact CG-O 3.13Å; N178-C180 PolarHBondContact O-N 2.91Å; C180-D182 VanDerWaalsContact C-N 3.33Å; C180-D182 PolarHBondContact SG-O 3.03Å; C180-I184 HydrophobicContact CB-CD1 3.76Å; C180-I184 HydrophobicContact CB-CG1 4.47Å; C180-V197 VanDerWaalsContact SG-CG1 3.51Å; C180-W248 HydrophobicContact CB-CD2 4.21Å; C180-W248 HydrophobicContact CB-CG 4.32Å; C180-W248 HydrophobicContact CB-CZ2 4.23Å
181F71.6Confident67.5Low98 Ų9869.7 Ų69.743%0.4338%0.377SS..  trans-86.4-5.1177.2-60.4-78.3000113.8H161 Q179H161-F181 AromaticContact CD2-CE1 3.79Å; H161-F181 AromaticContact NE2-CE1 3.99Å; Q179-F181 HydrophobicContact CB-CZ 4.33Å; Q179-F181 WeakPolarHBondContact O-CE2 2.97Å
182D85.2Confident70.3Confident34 Ų3463.3 Ų63.318%0.18234%0.344CS..SBendtrans-96.1145.9179.5-73.4-45.9000109.6C180 I184 V197 L198 K205C180-D182 VanDerWaalsContact C-N 3.33Å; C180-D182 PolarHBondContact SG-O 3.03Å; D182-I184 WeakPolarHBondContact O-CG1 3.45Å; D182-V197 HydrophobicContact CB-CG1 3.5Å; D182-L198 WeakPolarHBondContact CB-O 3.48Å; D182-K205 VanDerWaalsContact OD2-CD 3.29Å; D182-K205 WeakPolarHBondContact OD2-CD 3.49Å; D182-K205 IonicContact OD2-NZ 3.52Å; D182-K205 PolarHBondContact OD2-NZ 3.28Å
183P89.1Confident73Confident16 Ų1657.9 Ų57.910%0.10431%0.307CS..  trans-56.4140.9176.1-24.632.9000112.8Y113 Y154 V155 L198Y113-P183 HydrophobicContact CE2-CB 4.39Å; Y113-P183 HydrophobicContact CE2-CG 3.86Å; Y154-P183 WeakPolarHBondContact O-CA 3.47Å; V155-P183 HydrophobicContact CG1-CG 4.3Å; V155-P183 HydrophobicContact CG2-CB 4.26Å; P183-L198 HydrophobicContact CB-CB 4.22Å; P183-L198 HydrophobicContact CB-CD1 4.26Å; P183-L198 WeakPolarHBondContact CD-O 3.38Å; P183-L198 PolarHBondContact O-N 2.7Å
184I91.6Very high75.8Confident1 Ų152 Ų521%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-121.4126-174.1-47.2177.8000109.3L153 Y154 C180 D182 F186 F196 P233 W248L153-I184 WeakPolarHBondContact CA-O 3.24Å; Y154-I184 HydrophobicContact CD1-CD1 4.25Å; Y154-I184 PolarHBondContact N-O 2.84Å; Y154-I184 PolarHBondContact O-N 2.79Å; C180-I184 HydrophobicContact CB-CD1 3.76Å; C180-I184 HydrophobicContact CB-CG1 4.47Å; D182-I184 WeakPolarHBondContact O-CG1 3.45Å; I184-F186 HydrophobicContact CB-CE2 4.27Å; I184-F186 HydrophobicContact CG2-CD2 4.12Å; I184-F186 HydrophobicContact CG2-CE1 4.42Å; I184-F186 HydrophobicContact CG2-CE2 3.58Å; I184-F186 HydrophobicContact CG2-CZ 3.76Å; I184-F196 WeakPolarHBondContact CA-O 3.33Å; I184-P233 HydrophobicContact CD1-CG 4.29Å; I184-W248 HydrophobicContact CD1-CB 3.65Å; I184-W248 HydrophobicContact CD1-CG 3.79Å; I184-W248 HydrophobicContact CG1-CB 4.43Å; I184-W248 HydrophobicContact CG2-CB 3.66Å
185V93.9Very high78.6Confident0 Ų044.4 Ų44.40%024%0.235CC..EExtended strand (participates in β ladder)trans-108.8121.1172.6-177.10000108.7V115 L141 G152 L153 S195 F196 L198V115-V185 HydrophobicContact CG1-CG1 4.06Å; V115-V185 HydrophobicContact CG2-CG1 4.14Å; V115-V185 HydrophobicContact CG2-CG2 4.07Å; L141-V185 HydrophobicContact CD2-CB 4.04Å; L141-V185 HydrophobicContact CD2-CG1 3.9Å; L141-V185 HydrophobicContact CD2-CG2 4.17Å; G152-V185 CarbonylContact O-C 3.57Å; G152-V185 WeakPolarHBondContact O-CA 3.33Å; L153-V185 HydrophobicContact CD1-CG2 3.98Å; V185-S195 CarbonylContact O-C 3.59Å; V185-S195 VanDerWaalsContact O-CA 3.29Å; V185-S195 WeakPolarHBondContact O-CA 3.48Å; V185-F196 HydrophobicContact CB-CB 4.3Å; V185-F196 HydrophobicContact CB-CD2 4.42Å; V185-F196 HydrophobicContact CG1-CD2 4.48Å; V185-F196 PolarHBondContact N-O 3.44Å; V185-F196 PolarHBondContact O-N 3.41Å; V185-L198 HydrophobicContact CG2-CD1 3.84Å; V185-L198 HydrophobicContact CG2-CD2 4.47Å; V185-L198 HydrophobicContact CG2-CG 4.19Å
186F94.7Very high81.2Confident0 Ų039.4 Ų39.40%020%0.2CC..EExtended strand (participates in β ladder)trans-96134.1167.8-62.5-88.5000108.8L151 G152 I184 L210 M222 F235 W248L151-F186 CarbonylContact C-O 3.36Å; L151-F186 WeakPolarHBondContact CA-O 3.45Å; G152-F186 PolarHBondContact N-O 3.03Å; G152-F186 PolarHBondContact O-N 2.81Å; I184-F186 HydrophobicContact CB-CE2 4.27Å; I184-F186 HydrophobicContact CG2-CD2 4.12Å; I184-F186 HydrophobicContact CG2-CE1 4.42Å; I184-F186 HydrophobicContact CG2-CE2 3.58Å; I184-F186 HydrophobicContact CG2-CZ 3.76Å; F186-L210 HydrophobicContact CD1-CD1 3.66Å; F186-L210 HydrophobicContact CE1-CD1 3.94Å; F186-M222 HydrophobicContact CD2-SD 3.79Å; F186-M222 HydrophobicContact CE2-CE 4.32Å; F186-M222 HydrophobicContact CE2-SD 4.12Å; F186-F235 HydrophobicContact CB-CB 4.22Å; F186-F235 HydrophobicContact CB-CD1 3.99Å; F186-F235 HydrophobicContact CB-CD2 3.8Å; F186-F235 HydrophobicContact CB-CE1 4.26Å; F186-F235 HydrophobicContact CB-CE2 4.05Å; F186-F235 HydrophobicContact CB-CG 3.73Å; F186-F235 HydrophobicContact CB-CZ 4.25Å; F186-F235 HydrophobicContact CD1-CB 3.62Å; F186-F235 HydrophobicContact CD1-CD1 4.3Å; F186-F235 AromaticContact CD1-CG 4Å; F186-F235 HydrophobicContact CD1-CG 4Å; F186-F235 HydrophobicContact CD2-CB 4.11Å; F186-F235 HydrophobicContact CD2-CD2 4.48Å; F186-F235 HydrophobicContact CD2-CG 4.43Å; F186-F235 HydrophobicContact CE1-CB 3.9Å; F186-F235 HydrophobicContact CE2-CB 4.36Å; F186-F235 HydrophobicContact CG-CB 3.72Å; F186-F235 HydrophobicContact CG-CD1 4.34Å; F186-F235 HydrophobicContact CG-CD2 4.13Å; F186-F235 AromaticContact CG-CG 3.81Å; F186-F235 HydrophobicContact CG-CG 3.81Å; F186-F235 HydrophobicContact CZ-CB 4.27Å; F186-W248 HydrophobicContact CE1-CB 4.46Å; F186-W248 HydrophobicContact CZ-CB 4.13Å
187A94.6Very high83.6Confident0 Ų033.8 Ų33.80%017%0.17CC..EExtended strand (participates in β ladder)trans-136.4124.4176.900000111V123 F144 L151 M194 F196V123-A187 HydrophobicContact CG2-CB 4.06Å; F144-A187 HydrophobicContact CE2-CB 3.78Å; F144-A187 HydrophobicContact CZ-CB 4.02Å; L151-A187 HydrophobicContact CD2-CB 3.71Å; A187-M194 PolarHBondContact N-O 3.47Å; A187-M194 PolarHBondContact O-N 2.85Å; A187-F196 HydrophobicContact CB-CE2 4.01Å
188A94.3Very high85.9Confident0 Ų027.2 Ų27.20%014%0.136CC..EExtended strand (participates in β ladder)trans-107.1141.2177.300000110.3V148 T149 G150 L193 V215 T220 F235V148-A188 CarbonylContact C-O 2.95Å; V148-A188 WeakPolarHBondContact CA-O 3.47Å; V148-A188 WeakPolarHBondContact CG1-O 3.41Å; T149-A188 PolarHBondContact N-O 2.76Å; T149-A188 PolarHBondContact OG1-O 2.89Å; G150-A188 PolarHBondContact N-O 2.7Å; G150-A188 PolarHBondContact O-N 2.85Å; A188-L193 HydrophobicContact CB-CD1 3.62Å; A188-V215 HydrophobicContact CB-CB 4.33Å; A188-V215 HydrophobicContact CB-CG2 4.26Å; A188-T220 HydrophobicContact CB-CG2 4.12Å; A188-F235 HydrophobicContact CB-CE1 4.41Å
189S93.7Very high87.5Confident1 Ų123.4 Ų23.41%0.00712%0.119CC..EExtended strand (participates in β ladder)trans-124.7178169.975.90000110.8P147 Q191 S192 G214 V215P147-S189 WeakPolarHBondContact O-CA 3.2Å; P147-S189 WeakPolarHBondContact O-CB 3.49Å; S189-Q191 PolarHBondContact O-N 2.95Å; S189-Q191 VanDerWaalsContact O-N 3.11Å; S189-Q191 PolarHBondContact OG-N 3.08Å; S189-S192 PolarHBondContact N-O 3.07Å; S189-S192 PolarHBondContact OG-N 2.72Å; S189-S192 PolarHBondContact OG-O 3.38Å; S189-S192 VanDerWaalsContact OG-O 3.11Å; S189-S192 PolarHBondContact OG-OG 3.01Å; S189-G214 WeakPolarHBondContact O-CA 3.45Å; S189-V215 PolarHBondContact O-N 3.27Å
190E88.6Confident88.3Confident106 Ų10629.1 Ų29.150%0.49515%0.146SC..SBendtrans-68.1-0.7173-61-173.3156.500114.4C146 P147 T149 G214C146-E190 HydrophobicContact CB-CB 4.14Å; P147-E190 PolarHBondContact O-N 3.22Å; T149-E190 HydrophobicContact CG2-CG 3.55Å; E190-G214 WeakPolarHBondContact O-CA 3.42Å
191Q89Confident88.6Confident110 Ų11038.4 Ų38.451%0.51418%0.178SC..SBendtrans-133.6-22.2178.4-70.2-173.9-9.400114.5C146 S189 R212 F213C146-Q191 HydrophobicContact CB-CG 4.44Å; C146-Q191 PolarHBondContact SG-NE2 2.86Å; C146-Q191 VanDerWaalsContact SG-NE2 3.42Å; S189-Q191 PolarHBondContact O-N 2.95Å; S189-Q191 VanDerWaalsContact O-N 3.11Å; S189-Q191 PolarHBondContact OG-N 3.08Å; Q191-R212 CarbonylContact O-C 3.34Å; Q191-F213 CarbonylContact C-O 3.56Å; Q191-F213 CarbonylContact O-C 3.37Å; Q191-F213 VanDerWaalsContact O-C 3.3Å; Q191-F213 PolarHBondContact O-N 2.85Å
192S92.4Very high88.4Confident25 Ų2536 Ų3618%0.17517%0.168CC..  trans-155.4155.6-17260.60000112.7F144 S189 D211F144-S192 WeakPolarHBondContact CD1-OG 3.49Å; F144-S192 VanDerWaalsContact CE1-OG 3.27Å; F144-S192 WeakPolarHBondContact CE1-OG 3.25Å; S189-S192 PolarHBondContact N-O 3.07Å; S189-S192 PolarHBondContact OG-N 2.72Å; S189-S192 PolarHBondContact OG-O 3.38Å; S189-S192 VanDerWaalsContact OG-O 3.11Å; S189-S192 PolarHBondContact OG-OG 3.01Å; S192-D211 WeakPolarHBondContact CA-O 3.19Å; S192-D211 WeakPolarHBondContact CB-O 3.49Å
193L93.6Very high87.9Confident0 Ų042.1 Ų42.10%019%0.193CC..EExtended strand (participates in β ladder)trans-119.3133.3174.1-179.670.3000109.9A188 L210 D211 F235 V237 Y246A188-L193 HydrophobicContact CB-CD1 3.62Å; L193-L210 HydrophobicContact CB-CB 4.26Å; L193-L210 HydrophobicContact CD2-CB 3.79Å; L193-L210 HydrophobicContact CD2-CD1 3.85Å; L193-L210 HydrophobicContact CD2-CG 4.49Å; L193-L210 HydrophobicContact CG-CB 3.85Å; L193-L210 HydrophobicContact CG-CD1 3.87Å; L193-L210 HydrophobicContact CG-CG 4.43Å; L193-L210 PolarHBondContact O-N 2.59Å; L193-D211 HydrophobicContact CB-CB 4.01Å; L193-D211 PolarHBondContact N-O 2.84Å; L193-D211 PolarHBondContact O-N 2.91Å; L193-F235 HydrophobicContact CD1-CD1 3.83Å; L193-F235 HydrophobicContact CD1-CE1 3.41Å; L193-F235 VanDerWaalsContact CD1-CE1 3.41Å; L193-F235 HydrophobicContact CD1-CZ 4.48Å; L193-F235 HydrophobicContact CD2-CD1 4.26Å; L193-V237 HydrophobicContact CD2-CG2 4.01Å; L193-Y246 HydrophobicContact CD2-CD1 3.86Å; L193-Y246 HydrophobicContact CD2-CD2 3.42Å; L193-Y246 VanDerWaalsContact CD2-CD2 3.42Å; L193-Y246 HydrophobicContact CD2-CE1 3.77Å; L193-Y246 HydrophobicContact CD2-CE2 3.36Å; L193-Y246 HydrophobicContact CD2-CG 3.68Å
194M94.2Very high87.6Confident9 Ų944.2 Ų44.24%0.04420%0.203CC..EExtended strand (participates in β ladder)trans-135.3153179.8-58.2-169.569.600112Y142 F144 A187 F196 T208 V209Y142-M194 HydrophobicContact CD1-SD 4.36Å; Y142-M194 HydrophobicContact CE1-SD 3.74Å; Y142-M194 HydrophobicContact CE2-SD 4.49Å; F144-M194 HydrophobicContact CE1-CB 4.47Å; F144-M194 HydrophobicContact CE1-CG 3.85Å; F144-M194 HydrophobicContact CE1-SD 3.77Å; F144-M194 HydrophobicContact CZ-CB 4.14Å; F144-M194 HydrophobicContact CZ-CG 4.02Å; F144-M194 HydrophobicContact CZ-SD 4.16Å; A187-M194 PolarHBondContact N-O 3.47Å; A187-M194 PolarHBondContact O-N 2.85Å; M194-F196 HydrophobicContact CB-CE2 4.02Å; M194-F196 HydrophobicContact CB-CZ 3.89Å; M194-F196 HydrophobicContact CE-CE1 4.45Å; M194-F196 HydrophobicContact CE-CZ 4.48Å; M194-F196 HydrophobicContact SD-CZ 4.36Å; M194-T208 CarbonylContact C-O 3.5Å; M194-T208 VanDerWaalsContact CA-O 3.23Å; M194-T208 WeakPolarHBondContact CA-O 3.12Å; M194-V209 HydrophobicContact CE-CG2 3.58Å; M194-V209 HydrophobicContact CG-CG2 4.42Å; M194-V209 HydrophobicContact SD-CG2 4.31Å
195S93.5Very high87.1Confident0 Ų049.3 Ų49.30%023%0.225CC..EExtended strand (participates in β ladder)trans-117147.5167.265.90000110.5V185 K207 T208 W248V185-S195 CarbonylContact O-C 3.59Å; V185-S195 VanDerWaalsContact O-CA 3.29Å; V185-S195 WeakPolarHBondContact O-CA 3.48Å; S195-K207 WeakPolarHBondContact O-CA 3.41Å; S195-T208 PolarHBondContact N-O 2.85Å; S195-T208 PolarHBondContact O-N 3.26Å; S195-T208 WeakPolarHBondContact OG-CB 3.41Å; S195-W248 PolarHBondContact OG-O 2.89Å
196F93Very high86.7Confident0 Ų055.1 Ų55.10%025%0.247CC..EExtended strand (participates in β ladder)trans-129.9115.2177.6-52.9-83.4000108.9L141 Y142 I184 V185 A187 M194 I204 Y206 K207L141-F196 HydrophobicContact CD2-CB 4.08Å; L141-F196 HydrophobicContact CD2-CD2 3.77Å; L141-F196 HydrophobicContact CD2-CE2 4.4Å; L141-F196 HydrophobicContact CD2-CG 3.93Å; L141-F196 HydrophobicContact CG-CD2 4.42Å; L141-F196 HydrophobicContact CG-CG 4.25Å; Y142-F196 AromaticContact CD1-CZ 4Å; Y142-F196 HydrophobicContact CD1-CZ 4Å; Y142-F196 HydrophobicContact CD2-CE1 4.01Å; Y142-F196 HydrophobicContact CD2-CZ 4.12Å; Y142-F196 AromaticContact CG-CE1 3.95Å; Y142-F196 HydrophobicContact CG-CE1 3.95Å; Y142-F196 AromaticContact CG-CZ 3.61Å; Y142-F196 HydrophobicContact CG-CZ 3.61Å; I184-F196 WeakPolarHBondContact CA-O 3.33Å; V185-F196 HydrophobicContact CB-CB 4.3Å; V185-F196 HydrophobicContact CB-CD2 4.42Å; V185-F196 HydrophobicContact CG1-CD2 4.48Å; V185-F196 PolarHBondContact N-O 3.44Å; V185-F196 PolarHBondContact O-N 3.41Å; A187-F196 HydrophobicContact CB-CE2 4.01Å; M194-F196 HydrophobicContact CB-CE2 4.02Å; M194-F196 HydrophobicContact CB-CZ 3.89Å; M194-F196 HydrophobicContact CE-CE1 4.45Å; M194-F196 HydrophobicContact CE-CZ 4.48Å; M194-F196 HydrophobicContact SD-CZ 4.36Å; F196-I204 HydrophobicContact CB-CG2 4.5Å; F196-I204 HydrophobicContact CD1-CD1 4.03Å; F196-I204 HydrophobicContact CD1-CG2 4.24Å; F196-Y206 WeakPolarHBondContact CA-O 3.38Å; F196-K207 HydrophobicContact CD1-CB 4.04Å; F196-K207 HydrophobicContact CE1-CB 4.19Å
197V90.9Very high86.4Confident1 Ų162.2 Ų62.21%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-89.1118.4172.4-179.50000108C180 D182 K205 Y206 W248C180-V197 VanDerWaalsContact SG-CG1 3.51Å; D182-V197 HydrophobicContact CB-CG1 3.5Å; V197-K205 HydrophobicContact CG1-CB 4.46Å; V197-K205 HydrophobicContact CG1-CD 4.41Å; V197-K205 WeakPolarHBondContact O-CB 3.31Å; V197-K205 PolarHBondContact O-N 2.82Å; V197-Y206 HydrophobicContact CB-CD2 4.14Å; V197-Y206 HydrophobicContact CG1-CD2 4.3Å; V197-Y206 HydrophobicContact CG2-CD2 4.39Å; V197-Y206 PolarHBondContact N-O 3.48Å; V197-Y206 PolarHBondContact O-N 3.01Å; V197-W248 HydrophobicContact CG2-CD2 4.15Å; V197-W248 HydrophobicContact CG2-CE3 3.49Å; V197-W248 VanDerWaalsContact CG2-CE3 3.49Å; V197-W248 HydrophobicContact CG2-CZ3 4.05Å
198L89Confident86.2Confident2 Ų263.9 Ų63.91%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-89.2113.3-175.3-55.7-176.1000110.4Y113 L125 L141 D182 P183 V185Y113-L198 HydrophobicContact CD1-CD1 4.34Å; Y113-L198 HydrophobicContact CE1-CD1 4.24Å; L125-L198 HydrophobicContact CD1-CD1 4.26Å; L125-L198 HydrophobicContact CD2-CD1 3.85Å; L125-L198 HydrophobicContact CD2-CD2 4.36Å; L141-L198 HydrophobicContact CD1-CD2 3.61Å; D182-L198 WeakPolarHBondContact CB-O 3.48Å; P183-L198 HydrophobicContact CB-CB 4.22Å; P183-L198 HydrophobicContact CB-CD1 4.26Å; P183-L198 WeakPolarHBondContact CD-O 3.38Å; P183-L198 PolarHBondContact O-N 2.7Å; V185-L198 HydrophobicContact CG2-CD1 3.84Å; V185-L198 HydrophobicContact CG2-CD2 4.47Å; V185-L198 HydrophobicContact CG2-CG 4.19Å
199G82.2Confident86.1Confident12 Ų1267.3 Ų67.312%0.12431%0.309CS..  trans-79.2-171173.600000113.3K203G199-K203 WeakPolarHBondContact CA-O 3.5Å; G199-K203 PolarHBondContact N-O 2.88Å
200Q75.7Confident86Confident174 Ų17467.8 Ų67.881%0.81331%0.312SS*.G310 helixtrans-59.2143.8173.2-64.4-1761.400111.4E202Q200-E202 PolarHBondContact O-N 2.64Å
201R69.4Low86Confident218 Ų21863.4 Ų63.482%0.82329%0.292SS*.G310 helixtrans56.737.8178.2-56.7-179.1176173.4-1115.1K203R201-K203 PolarHBondContact O-N 3.46Å
202E66.8Low86Confident47 Ų4768.4 Ų68.422%0.2231%0.306CS..G310 helixtrans72.22.6171.8-51.6141.9-141.900115.2K127 K137 Q200 I204K127-E202 HydrophobicContact CB-CG 4.49Å; K127-E202 HydrophobicContact CD-CG 3.52Å; K137-E202 WeakPolarHBondContact CD-OE1 3.2Å; K137-E202 VanDerWaalsContact CE-OE2 3.26Å; K137-E202 WeakPolarHBondContact CE-OE2 3.45Å; K137-E202 IonicContact NZ-OE1 3.67Å; K137-E202 PolarHBondContact NZ-OE1 2.67Å; K137-E202 IonicContact NZ-OE2 2.82Å; K137-E202 PolarHBondContact NZ-OE2 3.45Å; Q200-E202 PolarHBondContact O-N 2.64Å; E202-I204 PolarHBondContact O-N 3.06Å
203K76.2Confident85.6Confident162 Ų16269.7 Ų69.770%0.70431%0.309SS*.  trans-75.2127.3176.5-69.6-168.6176.6-173.50109.6G199 R201 K205G199-K203 WeakPolarHBondContact CA-O 3.5Å; G199-K203 PolarHBondContact N-O 2.88Å; R201-K203 PolarHBondContact O-N 3.46Å; K203-K205 PolarHBondContact O-N 2.84Å
204I81.7Confident85Confident61 Ų6171.1 Ų71.131%0.31332%0.323SS..EExtended strand (participates in β ladder)trans-58.7113.5167.4-59.5171.6000107L141 F196 E202 Y206 K207L141-I204 HydrophobicContact CD1-CD1 3.66Å; L141-I204 HydrophobicContact CD1-CG1 3.58Å; L141-I204 HydrophobicContact CG-CD1 4.14Å; L141-I204 WeakPolarHBondContact O-CD1 3.33Å; F196-I204 HydrophobicContact CB-CG2 4.5Å; F196-I204 HydrophobicContact CD1-CD1 4.03Å; F196-I204 HydrophobicContact CD1-CG2 4.24Å; E202-I204 PolarHBondContact O-N 3.06Å; I204-Y206 WeakPolarHBondContact CG2-O 3.28Å; I204-K207 HydrophobicContact CG2-CB 4.14Å
205K82.2Confident84.7Confident108 Ų10871 Ų7147%0.4732%0.323SS..EExtended strand (participates in β ladder)trans-76.3-48.4177-171.6-174.3-172.9-178.30109.4D182 V197 K203D182-K205 VanDerWaalsContact OD2-CD 3.29Å; D182-K205 WeakPolarHBondContact OD2-CD 3.49Å; D182-K205 IonicContact OD2-NZ 3.52Å; D182-K205 PolarHBondContact OD2-NZ 3.28Å; V197-K205 HydrophobicContact CG1-CB 4.46Å; V197-K205 HydrophobicContact CG1-CD 4.41Å; V197-K205 WeakPolarHBondContact O-CB 3.31Å; V197-K205 PolarHBondContact O-N 2.82Å; K203-K205 PolarHBondContact O-N 2.84Å
206Y85.2Confident84.3Confident121 Ų12177.7 Ų77.748%0.47535%0.348SS..EExtended strand (participates in β ladder)trans-134139.5176.5-54.9-60.7000110.2F196 V197 I204 W248F196-Y206 WeakPolarHBondContact CA-O 3.38Å; V197-Y206 HydrophobicContact CB-CD2 4.14Å; V197-Y206 HydrophobicContact CG1-CD2 4.3Å; V197-Y206 HydrophobicContact CG2-CD2 4.39Å; V197-Y206 PolarHBondContact N-O 3.48Å; V197-Y206 PolarHBondContact O-N 3.01Å; I204-Y206 WeakPolarHBondContact CG2-O 3.28Å; Y206-W248 HydrophobicContact CD2-CZ3 4.25Å
207K88.7Confident83.9Confident149 Ų14980.5 Ų80.565%0.64837%0.366SS*.EExtended strand (participates in β ladder)trans-118.6123.9166.963.3-178.5-175.4175.90107.2S195 F196 I204S195-K207 WeakPolarHBondContact O-CA 3.41Å; F196-K207 HydrophobicContact CD1-CB 4.04Å; F196-K207 HydrophobicContact CE1-CB 4.19Å; I204-K207 HydrophobicContact CG2-CB 4.14Å
208T90.9Very high83.5Confident36 Ų3685.9 Ų85.922%0.22139%0.391CS..EExtended strand (participates in β ladder)trans-122.8128.2-179.7-50.10000108.4M194 S195 L210M194-T208 CarbonylContact C-O 3.5Å; M194-T208 VanDerWaalsContact CA-O 3.23Å; M194-T208 WeakPolarHBondContact CA-O 3.12Å; S195-T208 PolarHBondContact N-O 2.85Å; S195-T208 PolarHBondContact O-N 3.26Å; S195-T208 WeakPolarHBondContact OG-CB 3.41Å; T208-L210 HydrophobicContact CG2-CD2 4.3Å; T208-L210 PolarHBondContact O-N 2.82Å
209V91.4Very high83.6Confident72 Ų7285.8 Ų85.844%0.43639%0.391SS..EExtended strand (participates in β ladder)trans-79.6107166.6-179.60000106.1M194 D211 R212M194-V209 HydrophobicContact CE-CG2 3.58Å; M194-V209 HydrophobicContact CG-CG2 4.42Å; M194-V209 HydrophobicContact SD-CG2 4.31Å; V209-D211 WeakPolarHBondContact CG1-O 2.84Å; V209-R212 HydrophobicContact CG1-CG 4.16Å
210L90.4Very high84.1Confident11 Ų1186.3 Ų86.36%0.05839%0.392CS..EExtended strand (participates in β ladder)trans-74.4-40.1176.9-64.3178.1000110.2F186 L193 T208 Y246 N247F186-L210 HydrophobicContact CD1-CD1 3.66Å; F186-L210 HydrophobicContact CE1-CD1 3.94Å; L193-L210 HydrophobicContact CB-CB 4.26Å; L193-L210 HydrophobicContact CD2-CB 3.79Å; L193-L210 HydrophobicContact CD2-CD1 3.85Å; L193-L210 HydrophobicContact CD2-CG 4.49Å; L193-L210 HydrophobicContact CG-CB 3.85Å; L193-L210 HydrophobicContact CG-CD1 3.87Å; L193-L210 HydrophobicContact CG-CG 4.43Å; L193-L210 PolarHBondContact O-N 2.59Å; T208-L210 HydrophobicContact CG2-CD2 4.3Å; T208-L210 PolarHBondContact O-N 2.82Å; L210-Y246 HydrophobicContact CB-CD1 3.72Å; L210-Y246 HydrophobicContact CB-CE1 3.97Å; L210-Y246 HydrophobicContact CB-CG 4.48Å; L210-Y246 HydrophobicContact CD1-CD1 4.21Å; L210-Y246 HydrophobicContact CD1-CG 4.22Å; L210-Y246 HydrophobicContact CD2-CD1 4.41Å; L210-Y246 HydrophobicContact CG-CD1 4.34Å; L210-N247 VanDerWaalsContact CD2-O 3.24Å; L210-N247 WeakPolarHBondContact CD2-O 2.92Å
211D90.3Very high84.8Confident14 Ų1479 Ų798%0.07536%0.358CS..EExtended strand (participates in β ladder)trans-155.2162.3177.9-131.4-51.7000115.7S192 L193 V209 F213 Y246 R251S192-D211 WeakPolarHBondContact CA-O 3.19Å; S192-D211 WeakPolarHBondContact CB-O 3.49Å; L193-D211 HydrophobicContact CB-CB 4.01Å; L193-D211 PolarHBondContact N-O 2.84Å; L193-D211 PolarHBondContact O-N 2.91Å; V209-D211 WeakPolarHBondContact CG1-O 2.84Å; D211-F213 HydrophobicContact CB-CD1 4.12Å; D211-F213 HydrophobicContact CB-CE1 4.06Å; D211-F213 HydrophobicContact CB-CZ 4.37Å; D211-F213 WeakPolarHBondContact OD1-CD1 3.23Å; D211-F213 WeakPolarHBondContact OD1-CE1 3.42Å; D211-F213 WeakPolarHBondContact OD2-CE1 3.1Å; D211-Y246 HydrophobicContact CB-CE1 4.26Å; D211-Y246 PolarHBondContact OD2-OH 2.81Å; D211-R251 IonicContact OD1-CZ 3.96Å; D211-R251 IonicContact OD1-NH2 3.92Å; D211-R251 PolarHBondContact OD1-NH2 3.43Å; D211-R251 IonicContact OD2-CZ 2.6Å; D211-R251 IonicContact OD2-NE 3.8Å; D211-R251 PolarHBondContact OD2-NE 2.64Å; D211-R251 IonicContact OD2-NH2 3.14Å; D211-R251 PolarHBondContact OD2-NH2 2.88Å
212R87.7Confident85.9Confident214 Ų21469.9 Ų69.981%0.80833%0.326SS*.SBendtrans-115.719176.7-60-175.7-177-108.72.7113.2Q191 V209Q191-R212 CarbonylContact O-C 3.34Å; V209-R212 HydrophobicContact CG1-CG 4.16Å
213F84.7Confident86.9Confident53 Ų5367.9 Ų67.923%0.23232%0.316CS..SBendtrans-106.6152.4163.763.5-108.3000110.4Q191 D211 V215 V237 C239 Y244 Y246Q191-F213 CarbonylContact C-O 3.56Å; Q191-F213 CarbonylContact O-C 3.37Å; Q191-F213 VanDerWaalsContact O-C 3.3Å; Q191-F213 PolarHBondContact O-N 2.85Å; D211-F213 HydrophobicContact CB-CD1 4.12Å; D211-F213 HydrophobicContact CB-CE1 4.06Å; D211-F213 HydrophobicContact CB-CZ 4.37Å; D211-F213 WeakPolarHBondContact OD1-CD1 3.23Å; D211-F213 WeakPolarHBondContact OD1-CE1 3.42Å; D211-F213 WeakPolarHBondContact OD2-CE1 3.1Å; F213-V215 HydrophobicContact CE2-CG2 4.5Å; F213-V237 HydrophobicContact CE2-CG1 4.31Å; F213-C239 WeakPolarHBondContact CE2-SG 3.47Å; F213-Y244 HydrophobicContact CE1-CD2 4.38Å; F213-Y244 HydrophobicContact CE1-CE2 4.26Å; F213-Y244 HydrophobicContact CE2-CD2 4.41Å; F213-Y244 AromaticContact CZ-CD2 3.63Å; F213-Y244 HydrophobicContact CZ-CD2 3.63Å; F213-Y244 AromaticContact CZ-CE2 3.86Å; F213-Y244 HydrophobicContact CZ-CE2 3.86Å; F213-Y244 HydrophobicContact CZ-CG 4.13Å; F213-Y246 WeakPolarHBondContact CE1-OH 3.38Å; F213-Y246 WeakPolarHBondContact CZ-OH 3.42Å
214G81.3Confident87Confident30 Ų3065 Ų6531%0.30930%0.304SS..  trans-84.5159179.400000114.5S189 E190S189-G214 WeakPolarHBondContact O-CA 3.45Å; E190-G214 WeakPolarHBondContact O-CA 3.42Å
215V86.9Confident86.3Confident5 Ų563 Ų633%0.0330%0.295CS..  trans-126.4138.6176.6-169.10000109.3T149 A188 S189 F213 C219 T220 V237T149-V215 VanDerWaalsContact CB-O 3.22Å; T149-V215 WeakPolarHBondContact CB-O 3.32Å; T149-V215 VanDerWaalsContact CG2-O 3.25Å; T149-V215 WeakPolarHBondContact CG2-O 3.49Å; T149-V215 PolarHBondContact OG1-O 2.82Å; A188-V215 HydrophobicContact CB-CB 4.33Å; A188-V215 HydrophobicContact CB-CG2 4.26Å; S189-V215 PolarHBondContact O-N 3.27Å; F213-V215 HydrophobicContact CE2-CG2 4.5Å; V215-C219 HydrophobicContact CG1-CB 3.68Å; V215-T220 HydrophobicContact CB-CG2 4.47Å; V215-T220 HydrophobicContact CG1-CG2 3.76Å; V215-V237 HydrophobicContact CB-CG1 4.21Å; V215-V237 HydrophobicContact CG1-CG1 3.8Å; V215-V237 HydrophobicContact CG2-CG1 3.28Å
216R85Confident85.2Confident142 Ų14265.1 Ų65.154%0.53631%0.311SS..  trans-71.3154.2172.9-77.2-175.5169.5145.4-11.1111.7C219 E260R216-C219 WeakPolarHBondContact O-CB 3.34Å; R216-C219 PolarHBondContact O-N 3.34Å; R216-E260 IonicContact CZ-OE1 3.62Å; R216-E260 IonicContact NH1-OE1 2.79Å; R216-E260 PolarHBondContact NH1-OE1 3.22Å; R216-E260 IonicContact NH2-OE1 2.7Å; R216-E260 PolarHBondContact NH2-OE1 3.22Å
217P84.3Confident83.5Confident58 Ų5863 Ų6338%0.37731%0.308SS..THydrogen-bonded Turntrans-53145.2171.7-24.934.4000111.9T149 C219T149-P217 HydrophobicContact CG2-CG 4.03Å; P217-C219 PolarHBondContact O-N 2.84Å
218H83.7Confident81.5Confident114 Ų11464.8 Ų64.853%0.52832%0.323SS..THydrogen-bonded Turntrans67.81.1-178.6-52.1-71.2000116.9T220 A263 L264H218-T220 VanDerWaalsContact C-N 3.31Å; H218-T220 PolarHBondContact O-N 3Å; H218-A263 HydrophobicContact CB-CB 4.11Å; H218-A263 CarbonylContact O-C 3.3Å; H218-A263 VanDerWaalsContact O-CA 3.24Å; H218-A263 WeakPolarHBondContact O-CA 3.33Å; H218-L264 PolarHBondContact O-N 3.08Å
219C90.4Very high79.5Confident1 Ų167.8 Ų67.81%0.00734%0.341CS..  trans-90.824.5177-73.90000114.1V215 R216 P217 A238 I262V215-C219 HydrophobicContact CG1-CB 3.68Å; R216-C219 WeakPolarHBondContact O-CB 3.34Å; R216-C219 PolarHBondContact O-N 3.34Å; P217-C219 PolarHBondContact O-N 2.84Å; C219-A238 HydrophobicContact CB-CB 3.88Å; C219-A238 WeakPolarHBondContact CB-O 3.32Å; C219-A238 PolarHBondContact O-N 3.46Å; C219-I262 PolarHBondContact SG-O 2.81Å
220T93.2Very high77.4Confident23 Ų2365.5 Ų65.514%0.14133%0.332CS..EExtended strand (participates in β ladder)trans-135.8140.8-177.762.20000111.7G150 A188 V215 H218 F235 A236 V237G150-T220 WeakPolarHBondContact CA-OG1 3.09Å; A188-T220 HydrophobicContact CB-CG2 4.12Å; V215-T220 HydrophobicContact CB-CG2 4.47Å; V215-T220 HydrophobicContact CG1-CG2 3.76Å; H218-T220 VanDerWaalsContact C-N 3.31Å; H218-T220 PolarHBondContact O-N 3Å; T220-F235 VanDerWaalsContact CB-CZ 3.46Å; T220-F235 HydrophobicContact CG2-CE1 4Å; T220-F235 HydrophobicContact CG2-CZ 3.71Å; T220-A236 WeakPolarHBondContact CA-O 3.41Å; T220-V237 HydrophobicContact CG2-CG2 4.24Å
221T91.3Very high75.8Confident19 Ų1966.6 Ų66.612%0.11734%0.343CS..EExtended strand (participates in β ladder)trans-149.9155.5174.3-173.30000111.7A236 L264 T266 L271T221-A236 HydrophobicContact CG2-CB 3.98Å; T221-A236 PolarHBondContact N-O 3Å; T221-A236 PolarHBondContact O-N 2.81Å; T221-L264 HydrophobicContact CG2-CD2 3.91Å; T221-L264 HydrophobicContact CG2-CG 3.85Å; T221-T266 HydrophobicContact CG2-CG2 3.52Å; T221-L271 HydrophobicContact CG2-CD1 4.34Å
222M90.8Very high74.9Confident27 Ų2767.7 Ų67.713%0.13335%0.352CS..EExtended strand (participates in β ladder)trans-91.5130.6173.8-79.5-60.6-35.800110F186 F224 P233 Q234 F235F186-M222 HydrophobicContact CD2-SD 3.79Å; F186-M222 HydrophobicContact CE2-CE 4.32Å; F186-M222 HydrophobicContact CE2-SD 4.12Å; M222-F224 HydrophobicContact CB-CE1 4.36Å; M222-F224 HydrophobicContact CB-CE2 4Å; M222-F224 HydrophobicContact CB-CZ 3.72Å; M222-F224 HydrophobicContact CE-CD1 4.47Å; M222-F224 HydrophobicContact CE-CE1 3.85Å; M222-F224 HydrophobicContact CE-CZ 4.26Å; M222-F224 HydrophobicContact CG-CZ 4.29Å; M222-P233 HydrophobicContact CE-CB 3.72Å; M222-Q234 WeakPolarHBondContact CE-O 3.32Å; M222-F235 HydrophobicContact CG-CD2 4.32Å; M222-F235 HydrophobicContact SD-CB 4.15Å; M222-F235 HydrophobicContact SD-CD2 3.58Å; M222-F235 VanDerWaalsContact SD-CD2 3.58Å; M222-F235 HydrophobicContact SD-CE2 4.48Å; M222-F235 HydrophobicContact SD-CG 4.35Å
223I88Confident74.7Confident5 Ų558.1 Ų58.13%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-111.9132.5171.1-59.9175.3000107.7T225 Q234 A236 F245 T266 L271 Y349I223-T225 HydrophobicContact CG2-CG2 4.25Å; I223-Q234 HydrophobicContact CB-CB 4.38Å; I223-Q234 PolarHBondContact N-O 2.78Å; I223-Q234 PolarHBondContact O-N 3.39Å; I223-A236 HydrophobicContact CD1-CB 3.72Å; I223-A236 HydrophobicContact CG1-CB 4.2Å; I223-F245 HydrophobicContact CD1-CD1 3.91Å; I223-F245 HydrophobicContact CD1-CE1 3.46Å; I223-F245 VanDerWaalsContact CD1-CE1 3.46Å; I223-T266 HydrophobicContact CD1-CG2 4.1Å; I223-T266 HydrophobicContact CG1-CG2 3.65Å; I223-L271 HydrophobicContact CD1-CD1 4.27Å; I223-Y349 HydrophobicContact CG2-CE2 4.14Å
224F79.2Confident74.9Confident102 Ų10257.2 Ų57.245%0.44731%0.314SS..EExtended strand (participates in β ladder)trans-112.1112.5173.4-52.9-72.9000106.8Y154 M222 P233Y154-F224 AromaticContact CD2-CD1 3.81Å; Y154-F224 HydrophobicContact CD2-CD1 3.81Å; Y154-F224 AromaticContact CD2-CE1 3.53Å; Y154-F224 HydrophobicContact CD2-CE1 3.53Å; Y154-F224 HydrophobicContact CE2-CD1 4.13Å; Y154-F224 HydrophobicContact CE2-CE1 4.3Å; Y154-F224 HydrophobicContact CG-CE1 4.35Å; M222-F224 HydrophobicContact CB-CE1 4.36Å; M222-F224 HydrophobicContact CB-CE2 4Å; M222-F224 HydrophobicContact CB-CZ 3.72Å; M222-F224 HydrophobicContact CE-CD1 4.47Å; M222-F224 HydrophobicContact CE-CE1 3.85Å; M222-F224 HydrophobicContact CE-CZ 4.26Å; M222-F224 HydrophobicContact CG-CZ 4.29Å; F224-P233 HydrophobicContact CD1-CB 4.26Å; F224-P233 HydrophobicContact CE1-CB 4.32Å
225T67.1Low75.5Confident20 Ų2055.8 Ų55.812%0.12330%0.299CS..EExtended strand (participates in β ladder)trans-90.1123.3173.857.80000108.6I223 D227 A231 S232I223-T225 HydrophobicContact CG2-CG2 4.25Å; T225-D227 VanDerWaalsContact C-N 3.27Å; T225-D227 PolarHBondContact O-N 2.95Å; T225-D227 PolarHBondContact OG1-OD2 3.39Å; T225-A231 WeakPolarHBondContact O-CA 3.24Å; T225-A231 WeakPolarHBondContact O-CB 3.11Å; T225-S232 PolarHBondContact N-O 3.14Å; T225-S232 PolarHBondContact O-N 3.35Å; T225-S232 PolarHBondContact OG1-O 2.96Å; T225-S232 PolarHBondContact OG1-OG 3.46Å
226D58.1Low75.7Confident151 Ų15155.6 Ų55.681%0.80730%0.298SS*.  trans-77.182.1171.5-71.3-28.4000109
227D49.8Very low76.1Confident76 Ų7648.8 Ų48.841%0.40627%0.272SS..  trans-79.8141.4168.5-60.3-49000108.6T225 T229 G230 S232T225-D227 VanDerWaalsContact C-N 3.27Å; T225-D227 PolarHBondContact O-N 2.95Å; T225-D227 PolarHBondContact OG1-OD2 3.39Å; D227-T229 PolarHBondContact O-N 2.95Å; D227-G230 CarbonylContact O-C 3.55Å; D227-G230 WeakPolarHBondContact O-CA 3.5Å; D227-G230 PolarHBondContact O-N 3.08Å; D227-S232 PolarHBondContact OD2-OG 3.38Å
228I47Very low76.4Confident187 Ų18746.2 Ų46.296%0.95926%0.255SS*.THydrogen-bonded Turntrans-51.5-27175.3-63166.4000111.3
229T48.2Very low76.6Confident100 Ų10041.6 Ų41.661%0.61324%0.236SC*.THydrogen-bonded Turntrans-80.4-11.7178.849.20000113.8Q179 D227Q179-T229 PolarHBondContact NE2-O 3.08Å; D227-T229 PolarHBondContact O-N 2.95Å
230G48.6Very low76.4Confident24 Ų2445.4 Ų45.425%0.24726%0.262CS..  trans123143.4-175.200000111D227 S232D227-G230 CarbonylContact O-C 3.55Å; D227-G230 WeakPolarHBondContact O-CA 3.5Å; D227-G230 PolarHBondContact O-N 3.08Å; G230-S232 PolarHBondContact O-N 3.08Å
231A55.8Low76.1Confident33 Ų3348 Ų4827%0.27328%0.276SS..PPolyproline II helixtrans-63.6122.5-172.500000112.4Y154 T225Y154-A231 PolarHBondContact OH-O 2.9Å; T225-A231 WeakPolarHBondContact O-CA 3.24Å; T225-A231 WeakPolarHBondContact O-CB 3.11Å
232S71.5Confident76.1Confident38 Ų3847.4 Ų47.427%0.26627%0.272SS..EExtended strand (participates in β ladder)trans-95.7117.4175.470.90000109.9T225 D227 G230 Q234T225-S232 PolarHBondContact N-O 3.14Å; T225-S232 PolarHBondContact O-N 3.35Å; T225-S232 PolarHBondContact OG1-O 2.96Å; T225-S232 PolarHBondContact OG1-OG 3.46Å; D227-S232 PolarHBondContact OD2-OG 3.38Å; G230-S232 PolarHBondContact O-N 3.08Å; S232-Q234 PolarHBondContact O-N 2.83Å
233P84.1Confident76.1Confident13 Ų1346.1 Ų46.18%0.08427%0.266CS..EExtended strand (participates in β ladder)trans-73.6125.5178.633.3-39.3000109.8Y154 I184 M222 F224Y154-P233 HydrophobicContact CD1-CB 3.81Å; Y154-P233 HydrophobicContact CD1-CG 3.35Å; Y154-P233 HydrophobicContact CD2-CB 3.72Å; Y154-P233 HydrophobicContact CD2-CG 4.15Å; Y154-P233 HydrophobicContact CE1-CB 4.25Å; Y154-P233 HydrophobicContact CE1-CG 3.6Å; Y154-P233 HydrophobicContact CE2-CB 4.18Å; Y154-P233 HydrophobicContact CE2-CG 4.38Å; Y154-P233 HydrophobicContact CG-CB 3.45Å; Y154-P233 VanDerWaalsContact CG-CB 3.45Å; Y154-P233 HydrophobicContact CG-CG 3.59Å; I184-P233 HydrophobicContact CD1-CG 4.29Å; M222-P233 HydrophobicContact CE-CB 3.72Å; F224-P233 HydrophobicContact CD1-CB 4.26Å; F224-P233 HydrophobicContact CE1-CB 4.32Å
234Q89.3Confident76.2Confident34 Ų3447.8 Ų47.816%0.15927%0.272CS..EExtended strand (participates in β ladder)trans-114.7128.9173.3-63.6-1759.900109.8M222 I223 S232 Y246M222-Q234 WeakPolarHBondContact CE-O 3.32Å; I223-Q234 HydrophobicContact CB-CB 4.38Å; I223-Q234 PolarHBondContact N-O 2.78Å; I223-Q234 PolarHBondContact O-N 3.39Å; S232-Q234 PolarHBondContact O-N 2.83Å; Q234-Y246 CarbonylContact C-O 3.05Å; Q234-Y246 WeakPolarHBondContact CA-O 3.41Å
235F92.6Very high76.8Confident0 Ų043.6 Ų43.60%025%0.254CS..EExtended strand (participates in β ladder)trans-92.5110.8173.8-170.9-114.1000109.2F186 A188 L193 T220 M222 V237 Y246F186-F235 HydrophobicContact CB-CB 4.22Å; F186-F235 HydrophobicContact CB-CD1 3.99Å; F186-F235 HydrophobicContact CB-CD2 3.8Å; F186-F235 HydrophobicContact CB-CE1 4.26Å; F186-F235 HydrophobicContact CB-CE2 4.05Å; F186-F235 HydrophobicContact CB-CG 3.73Å; F186-F235 HydrophobicContact CB-CZ 4.25Å; F186-F235 HydrophobicContact CD1-CB 3.62Å; F186-F235 HydrophobicContact CD1-CD1 4.3Å; F186-F235 AromaticContact CD1-CG 4Å; F186-F235 HydrophobicContact CD1-CG 4Å; F186-F235 HydrophobicContact CD2-CB 4.11Å; F186-F235 HydrophobicContact CD2-CD2 4.48Å; F186-F235 HydrophobicContact CD2-CG 4.43Å; F186-F235 HydrophobicContact CE1-CB 3.9Å; F186-F235 HydrophobicContact CE2-CB 4.36Å; F186-F235 HydrophobicContact CG-CB 3.72Å; F186-F235 HydrophobicContact CG-CD1 4.34Å; F186-F235 HydrophobicContact CG-CD2 4.13Å; F186-F235 AromaticContact CG-CG 3.81Å; F186-F235 HydrophobicContact CG-CG 3.81Å; F186-F235 HydrophobicContact CZ-CB 4.27Å; A188-F235 HydrophobicContact CB-CE1 4.41Å; L193-F235 HydrophobicContact CD1-CD1 3.83Å; L193-F235 HydrophobicContact CD1-CE1 3.41Å; L193-F235 VanDerWaalsContact CD1-CE1 3.41Å; L193-F235 HydrophobicContact CD1-CZ 4.48Å; L193-F235 HydrophobicContact CD2-CD1 4.26Å; T220-F235 VanDerWaalsContact CB-CZ 3.46Å; T220-F235 HydrophobicContact CG2-CE1 4Å; T220-F235 HydrophobicContact CG2-CZ 3.71Å; M222-F235 HydrophobicContact CG-CD2 4.32Å; M222-F235 HydrophobicContact SD-CB 4.15Å; M222-F235 HydrophobicContact SD-CD2 3.58Å; M222-F235 VanDerWaalsContact SD-CD2 3.58Å; M222-F235 HydrophobicContact SD-CE2 4.48Å; M222-F235 HydrophobicContact SD-CG 4.35Å; F235-V237 HydrophobicContact CD1-CG2 3.52Å; F235-V237 HydrophobicContact CE1-CG2 3.48Å; F235-V237 VanDerWaalsContact CE1-CG2 3.48Å; F235-Y246 PolarHBondContact N-O 3.16Å; F235-Y246 WeakPolarHBondContact O-CD2 3.4Å; F235-Y246 PolarHBondContact O-N 3.5Å
236A92.2Very high78Confident0 Ų042.7 Ų42.70%025%0.248CC..EExtended strand (participates in β ladder)trans-91.4133.7-179.100000110.6T220 T221 I223 V243 Y244 F245 L264T220-A236 WeakPolarHBondContact CA-O 3.41Å; T221-A236 HydrophobicContact CG2-CB 3.98Å; T221-A236 PolarHBondContact N-O 3Å; T221-A236 PolarHBondContact O-N 2.81Å; I223-A236 HydrophobicContact CD1-CB 3.72Å; I223-A236 HydrophobicContact CG1-CB 4.2Å; A236-V243 HydrophobicContact CB-CG1 4.49Å; A236-Y244 CarbonylContact C-O 3.56Å; A236-Y244 WeakPolarHBondContact CA-O 3.4Å; A236-F245 HydrophobicContact CB-CD1 3.7Å; A236-F245 HydrophobicContact CB-CE1 3.75Å; A236-L264 HydrophobicContact CB-CD2 3.89Å
237V93.1Very high79.5Confident0 Ų037.3 Ų37.30%022%0.22CC..EExtended strand (participates in β ladder)trans-133.7119.7-173.5174.90000110.3L193 F213 V215 T220 F235 V243 Y244 Y246L193-V237 HydrophobicContact CD2-CG2 4.01Å; F213-V237 HydrophobicContact CE2-CG1 4.31Å; V215-V237 HydrophobicContact CB-CG1 4.21Å; V215-V237 HydrophobicContact CG1-CG1 3.8Å; V215-V237 HydrophobicContact CG2-CG1 3.28Å; T220-V237 HydrophobicContact CG2-CG2 4.24Å; F235-V237 HydrophobicContact CD1-CG2 3.52Å; F235-V237 HydrophobicContact CE1-CG2 3.48Å; F235-V237 VanDerWaalsContact CE1-CG2 3.48Å; V237-V243 CarbonylContact O-C 3.53Å; V237-V243 VanDerWaalsContact O-CA 3.32Å; V237-V243 WeakPolarHBondContact O-CA 3.38Å; V237-Y244 PolarHBondContact N-O 3.41Å; V237-Y244 PolarHBondContact O-N 2.94Å; V237-Y246 HydrophobicContact CB-CD2 4.31Å; V237-Y246 HydrophobicContact CB-CE2 3.87Å; V237-Y246 HydrophobicContact CG2-CD2 3.84Å; V237-Y246 HydrophobicContact CG2-CE2 3.78Å
238A90.6Very high81.2Confident3 Ų336 Ų363%0.02521%0.209CC..EExtended strand (participates in β ladder)trans-90.5116.6-18000000111.5C219 V243 K261 L264C219-A238 HydrophobicContact CB-CB 3.88Å; C219-A238 WeakPolarHBondContact CB-O 3.32Å; C219-A238 PolarHBondContact O-N 3.46Å; A238-V243 HydrophobicContact CB-CG2 4.38Å; A238-K261 HydrophobicContact CB-CB 3.97Å; A238-K261 HydrophobicContact CB-CD 3.34Å; A238-K261 HydrophobicContact CB-CG 4.28Å; A238-L264 HydrophobicContact CB-CB 3.82Å; A238-L264 HydrophobicContact CB-CD1 4.21Å; A238-L264 HydrophobicContact CB-CD2 3.87Å; A238-L264 HydrophobicContact CB-CG 4.19Å
239C88.8Confident83Confident17 Ų1730.2 Ų30.212%0.11518%0.18CC..  trans-110.5180174.2-63.30000111.3F213 D241 A242 Y244 K261F213-C239 WeakPolarHBondContact CE2-SG 3.47Å; C239-D241 VanDerWaalsContact C-N 3.3Å; C239-D241 WeakPolarHBondContact CB-OD1 3.04Å; C239-D241 PolarHBondContact O-N 3.16Å; C239-A242 WeakPolarHBondContact CB-O 3.28Å; C239-A242 PolarHBondContact N-O 3.1Å; C239-Y244 HydrophobicContact CB-CD2 4.26Å; C239-Y244 HydrophobicContact CB-CE2 4.03Å; C239-K261 WeakPolarHBondContact O-CD 3.32Å; C239-K261 WeakPolarHBondContact O-CE 3.3Å; C239-K261 WeakPolarHBondContact O-CG 3.36Å
240S84.7Confident84.9Confident81 Ų8126.4 Ų26.457%0.56616%0.161SC*.SBendtrans-69.6-27.817851.40000113.5G259S240-G259 CarbonylContact O-C 3.55Å; S240-G259 PolarHBondContact O-N 3.41Å; S240-G259 VanDerWaalsContact O-N 3.08Å; S240-G259 VanDerWaalsContact O-O 3.04Å
241D88.3Confident86.7Confident79 Ų7931.9 Ų31.942%0.42217%0.174SC..SBendtrans-96.2-38.7-173.660-27.7000113.5C239 Y244 T257C239-D241 VanDerWaalsContact C-N 3.3Å; C239-D241 WeakPolarHBondContact CB-OD1 3.04Å; C239-D241 PolarHBondContact O-N 3.16Å; D241-Y244 PolarHBondContact OD2-OH 2.89Å; D241-T257 CarbonylContact C-O 3.58Å; D241-T257 CarbonylContact O-C 3.59Å; D241-T257 PolarHBondContact O-N 2.96Å
242A90Very high88.1Confident6 Ų631.6 Ų31.65%0.0517%0.174CC..EExtended strand (participates in β ladder)trans-154.5168.8-175.700000112.5C239 Y244 L255 K261C239-A242 WeakPolarHBondContact CB-O 3.28Å; C239-A242 PolarHBondContact N-O 3.1Å; A242-Y244 HydrophobicContact CB-CD2 4.41Å; A242-Y244 HydrophobicContact CB-CE1 4.49Å; A242-Y244 HydrophobicContact CB-CE2 3.92Å; A242-L255 CarbonylContact C-O 3.56Å; A242-L255 WeakPolarHBondContact CA-O 3.36Å; A242-L255 WeakPolarHBondContact CB-O 3.4Å; A242-K261 WeakPolarHBondContact O-CE 3.14Å
243V90.8Very high88.8Confident0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-100.5120.3160.6-174.30000108.5A236 V237 A238 F245 C254 L255 K261 L264 L271 I273A236-V243 HydrophobicContact CB-CG1 4.49Å; V237-V243 CarbonylContact O-C 3.53Å; V237-V243 VanDerWaalsContact O-CA 3.32Å; V237-V243 WeakPolarHBondContact O-CA 3.38Å; A238-V243 HydrophobicContact CB-CG2 4.38Å; V243-F245 HydrophobicContact CG1-CE1 4.48Å; V243-F245 HydrophobicContact CG1-CZ 4.43Å; V243-C254 CarbonylContact O-C 3.59Å; V243-C254 WeakPolarHBondContact O-CA 3.19Å; V243-L255 HydrophobicContact CB-CB 4.33Å; V243-L255 PolarHBondContact N-O 2.74Å; V243-L255 PolarHBondContact O-N 3.47Å; V243-K261 HydrophobicContact CG2-CD 4.02Å; V243-L264 HydrophobicContact CG1-CD1 4.4Å; V243-L264 HydrophobicContact CG1-CD2 3.88Å; V243-L264 HydrophobicContact CG2-CD1 4.39Å; V243-L271 HydrophobicContact CB-CD2 4.35Å; V243-L271 HydrophobicContact CG1-CD2 3.96Å; V243-L271 HydrophobicContact CG2-CD2 4.37Å; V243-I273 HydrophobicContact CG2-CD1 3.7Å; V243-I273 HydrophobicContact CG2-CG1 4.19Å
244Y91.5Very high89Confident39 Ų3937 Ų3715%0.15321%0.209CC..EExtended strand (participates in β ladder)trans-97.5134.5180-65.7-84.1000110F213 A236 V237 C239 D241 A242 Y246 C254F213-Y244 HydrophobicContact CE1-CD2 4.38Å; F213-Y244 HydrophobicContact CE1-CE2 4.26Å; F213-Y244 HydrophobicContact CE2-CD2 4.41Å; F213-Y244 AromaticContact CZ-CD2 3.63Å; F213-Y244 HydrophobicContact CZ-CD2 3.63Å; F213-Y244 AromaticContact CZ-CE2 3.86Å; F213-Y244 HydrophobicContact CZ-CE2 3.86Å; F213-Y244 HydrophobicContact CZ-CG 4.13Å; A236-Y244 CarbonylContact C-O 3.56Å; A236-Y244 WeakPolarHBondContact CA-O 3.4Å; V237-Y244 PolarHBondContact N-O 3.41Å; V237-Y244 PolarHBondContact O-N 2.94Å; C239-Y244 HydrophobicContact CB-CD2 4.26Å; C239-Y244 HydrophobicContact CB-CE2 4.03Å; D241-Y244 PolarHBondContact OD2-OH 2.89Å; A242-Y244 HydrophobicContact CB-CD2 4.41Å; A242-Y244 HydrophobicContact CB-CE1 4.49Å; A242-Y244 HydrophobicContact CB-CE2 3.92Å; Y244-Y246 VanDerWaalsContact CB-CE2 3.47Å; Y244-C254 HydrophobicContact CD1-CB 3.66Å; Y244-C254 HydrophobicContact CE1-CB 4.01Å; Y244-C254 HydrophobicContact CG-CB 4.37Å
245F91.2Very high88.8Confident15 Ų1536.8 Ų36.87%0.06621%0.209CC..EExtended strand (participates in β ladder)trans-100.8134.4170.6-56.7-74.9000108.8I223 A236 V243 G252 P253 L255 L271I223-F245 HydrophobicContact CD1-CD1 3.91Å; I223-F245 HydrophobicContact CD1-CE1 3.46Å; I223-F245 VanDerWaalsContact CD1-CE1 3.46Å; A236-F245 HydrophobicContact CB-CD1 3.7Å; A236-F245 HydrophobicContact CB-CE1 3.75Å; V243-F245 HydrophobicContact CG1-CE1 4.48Å; V243-F245 HydrophobicContact CG1-CZ 4.43Å; F245-G252 CarbonylContact O-C 3.59Å; F245-G252 VanDerWaalsContact O-CA 3.23Å; F245-G252 WeakPolarHBondContact O-CA 3.35Å; F245-G252 PolarHBondContact O-N 2.98Å; F245-P253 WeakPolarHBondContact CB-O 3.23Å; F245-P253 HydrophobicContact CD2-CG 4.41Å; F245-P253 WeakPolarHBondContact CD2-O 3.34Å; F245-P253 PolarHBondContact N-O 3.16Å; F245-P253 VanDerWaalsContact N-O 3.1Å; F245-L255 HydrophobicContact CE2-CB 4.03Å; F245-L255 HydrophobicContact CZ-CB 4.5Å; F245-L271 HydrophobicContact CE1-CD2 4.28Å; F245-L271 HydrophobicContact CZ-CD2 3.97Å
246Y91.4Very high88.4Confident0 Ų040.9 Ų40.90%024%0.243CC..EExtended strand (participates in β ladder)trans-121137179.8-65.8-90.9000111.1L193 L210 D211 F213 Q234 F235 V237 Y244 R251L193-Y246 HydrophobicContact CD2-CD1 3.86Å; L193-Y246 HydrophobicContact CD2-CD2 3.42Å; L193-Y246 VanDerWaalsContact CD2-CD2 3.42Å; L193-Y246 HydrophobicContact CD2-CE1 3.77Å; L193-Y246 HydrophobicContact CD2-CE2 3.36Å; L193-Y246 HydrophobicContact CD2-CG 3.68Å; L210-Y246 HydrophobicContact CB-CD1 3.72Å; L210-Y246 HydrophobicContact CB-CE1 3.97Å; L210-Y246 HydrophobicContact CB-CG 4.48Å; L210-Y246 HydrophobicContact CD1-CD1 4.21Å; L210-Y246 HydrophobicContact CD1-CG 4.22Å; L210-Y246 HydrophobicContact CD2-CD1 4.41Å; L210-Y246 HydrophobicContact CG-CD1 4.34Å; D211-Y246 HydrophobicContact CB-CE1 4.26Å; D211-Y246 PolarHBondContact OD2-OH 2.81Å; F213-Y246 WeakPolarHBondContact CE1-OH 3.38Å; F213-Y246 WeakPolarHBondContact CZ-OH 3.42Å; Q234-Y246 CarbonylContact C-O 3.05Å; Q234-Y246 WeakPolarHBondContact CA-O 3.41Å; F235-Y246 PolarHBondContact N-O 3.16Å; F235-Y246 WeakPolarHBondContact O-CD2 3.4Å; F235-Y246 PolarHBondContact O-N 3.5Å; V237-Y246 HydrophobicContact CB-CD2 4.31Å; V237-Y246 HydrophobicContact CB-CE2 3.87Å; V237-Y246 HydrophobicContact CG2-CD2 3.84Å; V237-Y246 HydrophobicContact CG2-CE2 3.78Å; Y244-Y246 VanDerWaalsContact CB-CE2 3.47Å; Y246-R251 HydrophobicContact CD1-CB 4.41Å; Y246-R251 HydrophobicContact CD1-CG 3.8Å; Y246-R251 HydrophobicContact CE1-CB 4.34Å; Y246-R251 HydrophobicContact CE1-CG 3.31Å
247N90.1Very high87.9Confident39 Ų3941.6 Ų41.621%0.20925%0.248CC..  trans-90.3172.3161.8-64.1-27.5000108.9L210 D249 G250L210-N247 VanDerWaalsContact CD2-O 3.24Å; L210-N247 WeakPolarHBondContact CD2-O 2.92Å; N247-D249 WeakPolarHBondContact CB-OD1 3.39Å; N247-D249 PolarHBondContact O-N 3.15Å; N247-G250 PolarHBondContact N-O 2.78Å; N247-G250 PolarHBondContact O-N 3.04Å
248W85Confident87.5Confident47 Ų4747.8 Ų47.818%0.17828%0.281CS..SBendtrans-66.3-23179.269-91.4000113.3N178 C180 I184 F186 S195 V197 Y206N178-W248 PolarHBondContact O-NE1 3.1Å; C180-W248 HydrophobicContact CB-CD2 4.21Å; C180-W248 HydrophobicContact CB-CG 4.32Å; C180-W248 HydrophobicContact CB-CZ2 4.23Å; I184-W248 HydrophobicContact CD1-CB 3.65Å; I184-W248 HydrophobicContact CD1-CG 3.79Å; I184-W248 HydrophobicContact CG1-CB 4.43Å; I184-W248 HydrophobicContact CG2-CB 3.66Å; F186-W248 HydrophobicContact CE1-CB 4.46Å; F186-W248 HydrophobicContact CZ-CB 4.13Å; S195-W248 PolarHBondContact OG-O 2.89Å; V197-W248 HydrophobicContact CG2-CD2 4.15Å; V197-W248 HydrophobicContact CG2-CE3 3.49Å; V197-W248 VanDerWaalsContact CG2-CE3 3.49Å; V197-W248 HydrophobicContact CG2-CZ3 4.05Å; Y206-W248 HydrophobicContact CD2-CZ3 4.25Å
249D86.1Confident87.1Confident66 Ų6648.9 Ų48.935%0.35329%0.292SS..SBendtrans-98.6-16.9-177.664.1-30.5000113.5N247N247-D249 WeakPolarHBondContact CB-OD1 3.39Å; N247-D249 PolarHBondContact O-N 3.15Å
250G87.2Confident86.9Confident20 Ų2051.7 Ų51.721%0.20630%0.303CS..SBendtrans171.5-167.3-179.800000115.5N247N247-G250 PolarHBondContact N-O 2.78Å; N247-G250 PolarHBondContact O-N 3.04Å
251R87.1Confident87Confident140 Ų14048.1 Ų48.153%0.52828%0.278SS..EExtended strand (participates in β ladder)trans-71.5131176.9-75178.2-176.4-169.18110.9D211 Y246D211-R251 IonicContact OD1-CZ 3.96Å; D211-R251 IonicContact OD1-NH2 3.92Å; D211-R251 PolarHBondContact OD1-NH2 3.43Å; D211-R251 IonicContact OD2-CZ 2.6Å; D211-R251 IonicContact OD2-NE 3.8Å; D211-R251 PolarHBondContact OD2-NE 2.64Å; D211-R251 IonicContact OD2-NH2 3.14Å; D211-R251 PolarHBondContact OD2-NH2 2.88Å; Y246-R251 HydrophobicContact CD1-CB 4.41Å; Y246-R251 HydrophobicContact CD1-CG 3.8Å; Y246-R251 HydrophobicContact CE1-CB 4.34Å; Y246-R251 HydrophobicContact CE1-CG 3.31Å
252G85.4Confident86.7Confident27 Ų2746.3 Ų46.328%0.27827%0.268SS..EExtended strand (participates in β ladder)trans-91.1-160.9166.100000111.9F245F245-G252 CarbonylContact O-C 3.59Å; F245-G252 VanDerWaalsContact O-CA 3.23Å; F245-G252 WeakPolarHBondContact O-CA 3.35Å; F245-G252 PolarHBondContact O-N 2.98Å
253P85.7Confident86.5Confident91 Ų9146.8 Ų46.859%0.59127%0.271SS*.EExtended strand (participates in β ladder)trans-61.4162.4173.727.2-33.2000111F245F245-P253 WeakPolarHBondContact CB-O 3.23Å; F245-P253 HydrophobicContact CD2-CG 4.41Å; F245-P253 WeakPolarHBondContact CD2-O 3.34Å; F245-P253 PolarHBondContact N-O 3.16Å; F245-P253 VanDerWaalsContact N-O 3.1Å
254C87Confident86.4Confident74 Ų7446.8 Ų46.850%0.527%0.272SS..EExtended strand (participates in β ladder)trans-126154.1171.867.90000110.7V243 Y244V243-C254 CarbonylContact O-C 3.59Å; V243-C254 WeakPolarHBondContact O-CA 3.19Å; Y244-C254 HydrophobicContact CD1-CB 3.66Å; Y244-C254 HydrophobicContact CE1-CB 4.01Å; Y244-C254 HydrophobicContact CG-CB 4.37Å
255L85.6Confident86.3Confident28 Ų2847.8 Ų47.815%0.14728%0.277CS..EExtended strand (participates in β ladder)trans-106.1108.8174.2169.859000109.2A242 V243 F245 T257 L271 I273 Q347A242-L255 CarbonylContact C-O 3.56Å; A242-L255 WeakPolarHBondContact CA-O 3.36Å; A242-L255 WeakPolarHBondContact CB-O 3.4Å; V243-L255 HydrophobicContact CB-CB 4.33Å; V243-L255 PolarHBondContact N-O 2.74Å; V243-L255 PolarHBondContact O-N 3.47Å; F245-L255 HydrophobicContact CE2-CB 4.03Å; F245-L255 HydrophobicContact CZ-CB 4.5Å; L255-T257 PolarHBondContact O-N 2.92Å; L255-L271 HydrophobicContact CD2-CD2 4.02Å; L255-I273 HydrophobicContact CD2-CD1 4.27Å; L255-Q347 VanDerWaalsContact CD1-CD 3.45Å; L255-Q347 HydrophobicContact CD2-CB 4.42Å; L255-Q347 HydrophobicContact CD2-CG 3.85Å
256A83.8Confident86.2Confident87 Ų8748.7 Ų48.772%0.71929%0.285SS*.EExtended strand (participates in β ladder)trans-66.4114.9176.900000109.5
257T83.3Confident86Confident15 Ų1549.8 Ų49.89%0.09229%0.289CS..  trans-151.8109.6179-63.50000106.5D241 L255 K261 I273D241-T257 CarbonylContact C-O 3.58Å; D241-T257 CarbonylContact O-C 3.59Å; D241-T257 PolarHBondContact O-N 2.96Å; L255-T257 PolarHBondContact O-N 2.92Å; T257-K261 PolarHBondContact O-NZ 3.39Å; T257-I273 HydrophobicContact CG2-CD1 4.16Å
258D83.6Confident85.7Confident130 Ų13053.6 Ų53.670%0.69530%0.304SS*.  trans-78.4161-178.5-164.511.8000112K275D258-K275 VanDerWaalsContact O-CE 3.26Å; D258-K275 WeakPolarHBondContact O-CE 3.38Å; D258-K275 PolarHBondContact O-NZ 2.83Å
259G82.2Confident85.6Confident26 Ų2652.3 Ų52.327%0.26830%0.3SS..SBendtrans109.4155.4174.700000114.3S240 K261S240-G259 CarbonylContact O-C 3.55Å; S240-G259 PolarHBondContact O-N 3.41Å; S240-G259 VanDerWaalsContact O-N 3.08Å; S240-G259 VanDerWaalsContact O-O 3.04Å; G259-K261 PolarHBondContact O-N 2.74Å
260E84.2Confident85.8Confident75 Ų7550 Ų5035%0.3529%0.286SS..  trans-64.6108.1179.7-178.1174.8-138.600110.9R216 K275 N276R216-E260 IonicContact CZ-OE1 3.62Å; R216-E260 IonicContact NH1-OE1 2.79Å; R216-E260 PolarHBondContact NH1-OE1 3.22Å; R216-E260 IonicContact NH2-OE1 2.7Å; R216-E260 PolarHBondContact NH2-OE1 3.22Å; E260-K275 CarbonylContact O-C 3.54Å; E260-K275 VanDerWaalsContact O-CA 3.23Å; E260-K275 WeakPolarHBondContact O-CA 3.32Å; E260-N276 HydrophobicContact CB-CB 4.19Å; E260-N276 HydrophobicContact CG-CB 4.19Å; E260-N276 PolarHBondContact O-N 3.35Å; E260-N276 WeakPolarHBondContact OE2-CB 3.38Å; E260-N276 PolarHBondContact OE2-ND2 2.85Å
261K86.7Confident86Confident7 Ų749 Ų493%0.0328%0.276CS..EExtended strand (participates in β ladder)trans-84.6136177.5-55.8-177.9-162.2-35.20110.5A238 C239 A242 V243 T257 G259 I273 L274A238-K261 HydrophobicContact CB-CB 3.97Å; A238-K261 HydrophobicContact CB-CD 3.34Å; A238-K261 HydrophobicContact CB-CG 4.28Å; C239-K261 WeakPolarHBondContact O-CD 3.32Å; C239-K261 WeakPolarHBondContact O-CE 3.3Å; C239-K261 WeakPolarHBondContact O-CG 3.36Å; A242-K261 WeakPolarHBondContact O-CE 3.14Å; V243-K261 HydrophobicContact CG2-CD 4.02Å; T257-K261 PolarHBondContact O-NZ 3.39Å; G259-K261 PolarHBondContact O-N 2.74Å; K261-I273 HydrophobicContact CD-CG2 3.87Å; K261-I273 HydrophobicContact CG-CG2 3.95Å; K261-L274 WeakPolarHBondContact CA-O 3.26Å
262I82.3Confident86.1Confident41 Ų4142.3 Ų42.321%0.2125%0.251CS..EExtended strand (participates in β ladder)trans-106.6-42-177.8-51.1179.3000110.6C219 L274 N276 I339C219-I262 PolarHBondContact SG-O 2.81Å; I262-L274 PolarHBondContact N-O 3.09Å; I262-N276 HydrophobicContact CD1-CB 3.65Å; I262-N276 HydrophobicContact CG1-CB 3.88Å; I262-I339 HydrophobicContact CD1-CD1 3.52Å; I262-I339 HydrophobicContact CD1-CG1 3.87Å; I262-I339 HydrophobicContact CD1-CG2 3.92Å; I262-I339 HydrophobicContact CG2-CD1 3.67Å
263A85.4Confident86.3Confident15 Ų1541 Ų4112%0.12424%0.238CC..EExtended strand (participates in β ladder)trans-152.1153.6-17900000111H218 L274H218-A263 HydrophobicContact CB-CB 4.11Å; H218-A263 CarbonylContact O-C 3.3Å; H218-A263 VanDerWaalsContact O-CA 3.24Å; H218-A263 WeakPolarHBondContact O-CA 3.33Å; A263-L274 HydrophobicContact CB-CB 4.23Å; A263-L274 HydrophobicContact CB-CD1 3.85Å; A263-L274 PolarHBondContact O-N 3.37Å
264L90.2Very high86.5Confident1 Ų136.9 Ų36.91%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-132.1123.6-179.7-173.566.9000109.3H218 T221 A236 A238 V243 L271 I272 I273H218-L264 PolarHBondContact O-N 3.08Å; T221-L264 HydrophobicContact CG2-CD2 3.91Å; T221-L264 HydrophobicContact CG2-CG 3.85Å; A236-L264 HydrophobicContact CB-CD2 3.89Å; A238-L264 HydrophobicContact CB-CB 3.82Å; A238-L264 HydrophobicContact CB-CD1 4.21Å; A238-L264 HydrophobicContact CB-CD2 3.87Å; A238-L264 HydrophobicContact CB-CG 4.19Å; V243-L264 HydrophobicContact CG1-CD1 4.4Å; V243-L264 HydrophobicContact CG1-CD2 3.88Å; V243-L264 HydrophobicContact CG2-CD1 4.39Å; L264-L271 HydrophobicContact CD1-CD1 3.53Å; L264-L271 HydrophobicContact CD1-CD2 4.06Å; L264-L271 HydrophobicContact CD1-CG 3.7Å; L264-L271 HydrophobicContact CD2-CD1 4.34Å; L264-L271 HydrophobicContact CG-CD1 3.95Å; L264-I272 WeakPolarHBondContact CA-O 3.3Å; L264-I273 HydrophobicContact CD1-CG1 3.77Å
265E88.1Confident86.5Confident59 Ų5934.7 Ų34.728%0.27619%0.193SC..EExtended strand (participates in β ladder)trans-137162.5-179.9-83.9-70.6-168.800111.3Y12 I272 L366 I368Y12-E265 PolarHBondContact OH-OE2 3.1Å; E265-I272 HydrophobicContact CB-CB 4.31Å; E265-I272 PolarHBondContact N-O 2.7Å; E265-I272 WeakPolarHBondContact O-CA 3.43Å; E265-I272 WeakPolarHBondContact O-CB 3.49Å; E265-I272 PolarHBondContact O-N 2.73Å; E265-L366 HydrophobicContact CB-CD2 3.86Å; E265-L366 HydrophobicContact CG-CD2 3.9Å; E265-I368 HydrophobicContact CB-CD1 3.97Å
266T90Very high86.3Confident35 Ų3535.7 Ų35.722%0.21520%0.198CC..EExtended strand (participates in β ladder)trans-127.1133.2-17749.80000111.1T221 I223 Y270 L271 I368T221-T266 HydrophobicContact CG2-CG2 3.52Å; I223-T266 HydrophobicContact CD1-CG2 4.1Å; I223-T266 HydrophobicContact CG1-CG2 3.65Å; T266-Y270 WeakPolarHBondContact CA-O 3.5Å; T266-L271 HydrophobicContact CG2-CD1 3.74Å; T266-I368 WeakPolarHBondContact O-CD1 3.37Å
267Y86.4Confident85.7Confident22 Ų2234.1 Ų34.19%0.08618%0.18CC..EExtended strand (participates in β ladder)trans-132.7113.5173.3176.2-127.4000109.6N269 Y270 I368 N371 I373Y267-N269 PolarHBondContact O-N 2.85Å; Y267-Y270 HydrophobicContact CD1-CD2 4.38Å; Y267-Y270 PolarHBondContact N-O 2.65Å; Y267-Y270 WeakPolarHBondContact O-CA 3.09Å; Y267-Y270 VanDerWaalsContact O-CB 3.26Å; Y267-Y270 WeakPolarHBondContact O-CB 3.38Å; Y267-Y270 PolarHBondContact O-N 2.77Å; Y267-I368 HydrophobicContact CD2-CG2 3.15Å; Y267-I368 HydrophobicContact CE2-CG2 3.86Å; Y267-I368 HydrophobicContact CG-CG2 3.71Å; Y267-N371 VanDerWaalsContact OH-CA 3.25Å; Y267-N371 WeakPolarHBondContact OH-CA 3.18Å; Y267-N371 PolarHBondContact OH-O 3.18Å; Y267-I373 HydrophobicContact CD1-CD1 4.01Å; Y267-I373 HydrophobicContact CD1-CG1 3.92Å; Y267-I373 HydrophobicContact CE1-CG1 4.48Å; Y267-I373 HydrophobicContact CG-CG1 4.29Å
268K85Confident84.4Confident120 Ų12036 Ų3652%0.52220%0.202SC..THydrogen-bonded Turntrans53.2-127-173.3-54.2176.9177.31780109.9Y270 Y349 E409K268-Y270 VanDerWaalsContact C-N 3.3Å; K268-Y349 PolarHBondContact O-OH 3.03Å; K268-E409 WeakPolarHBondContact CD-OE2 3.45Å; K268-E409 IonicContact NZ-OE2 3.85Å; K268-E409 PolarHBondContact NZ-OE2 2.82Å
269N83.2Confident82.5Confident19 Ų1935.8 Ų35.810%0.10220%0.197CC..THydrogen-bonded Turntrans-89.314.2173.668.5-49.1000113.9Y267 D348 Y349Y267-N269 PolarHBondContact O-N 2.85Å; N269-D348 PolarHBondContact ND2-OD1 3.03Å; N269-D348 VanDerWaalsContact ND2-OD1 3.14Å; N269-D348 PolarHBondContact ND2-OD2 3.26Å; N269-Y349 VanDerWaalsContact CA-CE1 3.44Å; N269-Y349 HydrophobicContact CB-CE1 4.38Å; N269-Y349 WeakPolarHBondContact O-CD1 3.47Å; N269-Y349 WeakPolarHBondContact O-CE1 3.46Å; N269-Y349 PolarHBondContact O-N 3.14Å
270Y89.8Confident80.2Confident17 Ų1739.5 Ų39.57%0.06722%0.218CC..EExtended strand (participates in β ladder)trans-103.6129.8177.7-59.1-68.4000111.5T266 Y267 K268 I346 Q347 D348 A355 E409 K415T266-Y270 WeakPolarHBondContact CA-O 3.5Å; Y267-Y270 HydrophobicContact CD1-CD2 4.38Å; Y267-Y270 PolarHBondContact N-O 2.65Å; Y267-Y270 WeakPolarHBondContact O-CA 3.09Å; Y267-Y270 VanDerWaalsContact O-CB 3.26Å; Y267-Y270 WeakPolarHBondContact O-CB 3.38Å; Y267-Y270 PolarHBondContact O-N 2.77Å; K268-Y270 VanDerWaalsContact C-N 3.3Å; Y270-I346 HydrophobicContact CD1-CG2 3.95Å; Y270-I346 HydrophobicContact CG-CG2 3.97Å; Y270-Q347 CarbonylContact C-O 3.52Å; Y270-Q347 WeakPolarHBondContact CA-O 3.35Å; Y270-D348 HydrophobicContact CD1-CB 4.09Å; Y270-D348 HydrophobicContact CE1-CB 3.92Å; Y270-A355 HydrophobicContact CD1-CB 4.06Å; Y270-A355 HydrophobicContact CE1-CB 3.81Å; Y270-E409 HydrophobicContact CE2-CG 4.13Å; Y270-E409 WeakPolarHBondContact CE2-OE1 3.42Å; Y270-E409 PolarHBondContact OH-OE1 3.35Å; Y270-K415 PolarHBondContact OH-NZ 2.75Å
271L90Very high77.5Confident0 Ų042.7 Ų42.70%024%0.237CC..EExtended strand (participates in β ladder)trans-94.1122.4167.9-171.267.7000108.9T221 I223 V243 F245 L255 L264 T266 I273 Q347 Y349T221-L271 HydrophobicContact CG2-CD1 4.34Å; I223-L271 HydrophobicContact CD1-CD1 4.27Å; V243-L271 HydrophobicContact CB-CD2 4.35Å; V243-L271 HydrophobicContact CG1-CD2 3.96Å; V243-L271 HydrophobicContact CG2-CD2 4.37Å; F245-L271 HydrophobicContact CE1-CD2 4.28Å; F245-L271 HydrophobicContact CZ-CD2 3.97Å; L255-L271 HydrophobicContact CD2-CD2 4.02Å; L264-L271 HydrophobicContact CD1-CD1 3.53Å; L264-L271 HydrophobicContact CD1-CD2 4.06Å; L264-L271 HydrophobicContact CD1-CG 3.7Å; L264-L271 HydrophobicContact CD2-CD1 4.34Å; L264-L271 HydrophobicContact CG-CD1 3.95Å; T266-L271 HydrophobicContact CG2-CD1 3.74Å; L271-I273 HydrophobicContact CD2-CD1 4.28Å; L271-I273 HydrophobicContact CD2-CG1 4.32Å; L271-I273 HydrophobicContact CG-CG1 4.23Å; L271-Q347 PolarHBondContact N-O 2.95Å; L271-Q347 PolarHBondContact O-N 3.39Å; L271-Y349 HydrophobicContact CB-CD1 4.25Å
272I90.6Very high74.6Confident0 Ų047.7 Ų47.70%027%0.268CS..EExtended strand (participates in β ladder)trans-102.6112.4-178.2-59.8162.3000107.9L264 E265 I344 L366 I368 I373L264-I272 WeakPolarHBondContact CA-O 3.3Å; E265-I272 HydrophobicContact CB-CB 4.31Å; E265-I272 PolarHBondContact N-O 2.7Å; E265-I272 WeakPolarHBondContact O-CA 3.43Å; E265-I272 WeakPolarHBondContact O-CB 3.49Å; E265-I272 PolarHBondContact O-N 2.73Å; I272-I344 HydrophobicContact CG2-CD1 3.52Å; I272-I344 HydrophobicContact CG2-CG1 3.69Å; I272-L366 HydrophobicContact CG2-CD2 3.94Å; I272-I368 HydrophobicContact CD1-CD1 3.62Å; I272-I368 HydrophobicContact CD1-CG1 4.17Å; I272-I373 HydrophobicContact CD1-CD1 3.51Å; I272-I373 HydrophobicContact CD1-CG1 3.76Å; I272-I373 HydrophobicContact CD1-CG2 4.15Å; I272-I373 HydrophobicContact CG1-CD1 3.98Å
273I90Very high71.8Confident0 Ų053.8 Ų53.80%030%0.301CS..EExtended strand (participates in β ladder)trans-109115.8-178.5-54.4169.2000107.7V243 L255 T257 K261 L264 L271 K275 V345V243-I273 HydrophobicContact CG2-CD1 3.7Å; V243-I273 HydrophobicContact CG2-CG1 4.19Å; L255-I273 HydrophobicContact CD2-CD1 4.27Å; T257-I273 HydrophobicContact CG2-CD1 4.16Å; K261-I273 HydrophobicContact CD-CG2 3.87Å; K261-I273 HydrophobicContact CG-CG2 3.95Å; L264-I273 HydrophobicContact CD1-CG1 3.77Å; L271-I273 HydrophobicContact CD2-CD1 4.28Å; L271-I273 HydrophobicContact CD2-CG1 4.32Å; L271-I273 HydrophobicContact CG-CG1 4.23Å; I273-K275 HydrophobicContact CG2-CG 4.09Å; I273-V345 HydrophobicContact CB-CB 4.34Å; I273-V345 PolarHBondContact N-O 2.99Å; I273-V345 PolarHBondContact O-N 2.93Å
274L88.2Confident68.9Low3 Ų357.1 Ų57.12%0.01632%0.323CS..EExtended strand (participates in β ladder)trans-91.8123.3172.2-69.9171000109.3K261 I262 A263 I344 F360 F363 L366 L375K261-L274 WeakPolarHBondContact CA-O 3.26Å; I262-L274 PolarHBondContact N-O 3.09Å; A263-L274 HydrophobicContact CB-CB 4.23Å; A263-L274 HydrophobicContact CB-CD1 3.85Å; A263-L274 PolarHBondContact O-N 3.37Å; L274-I344 HydrophobicContact CD2-CB 3.77Å; L274-I344 HydrophobicContact CD2-CD1 4.21Å; L274-I344 HydrophobicContact CD2-CG1 3.96Å; L274-F360 HydrophobicContact CD2-CD1 4.49Å; L274-F360 HydrophobicContact CD2-CE1 3.51Å; L274-F360 HydrophobicContact CD2-CZ 3.91Å; L274-F363 HydrophobicContact CD1-CE1 4.08Å; L274-F363 HydrophobicContact CD1-CE2 3.99Å; L274-F363 HydrophobicContact CD1-CZ 3.53Å; L274-L366 HydrophobicContact CD1-CB 4.2Å; L274-L366 HydrophobicContact CD1-CD2 3.87Å; L274-L366 HydrophobicContact CG-CD2 4.47Å; L274-L375 HydrophobicContact CD2-CD2 4.48Å
275K87.6Confident65.7Low29 Ų2968 Ų6813%0.12637%0.366CS..EExtended strand (participates in β ladder)trans-114.9144.2179.3-59.3-176.2-174-177.90111.3D258 E260 I273 G342 T343 V345D258-K275 VanDerWaalsContact O-CE 3.26Å; D258-K275 WeakPolarHBondContact O-CE 3.38Å; D258-K275 PolarHBondContact O-NZ 2.83Å; E260-K275 CarbonylContact O-C 3.54Å; E260-K275 VanDerWaalsContact O-CA 3.23Å; E260-K275 WeakPolarHBondContact O-CA 3.32Å; I273-K275 HydrophobicContact CG2-CG 4.09Å; K275-G342 CarbonylContact O-C 3.53Å; K275-G342 WeakPolarHBondContact O-CA 3.42Å; K275-T343 PolarHBondContact N-O 3.27Å; K275-T343 PolarHBondContact O-N 3.22Å; K275-V345 HydrophobicContact CD-CG2 4.18Å
276N81.8Confident62.6Low48 Ų4871.4 Ų71.426%0.25739%0.386SS..EExtended strand (participates in β ladder)trans-83.3112.1167.2-168.110.4000108.6E260 I262 G278 S341E260-N276 HydrophobicContact CB-CB 4.19Å; E260-N276 HydrophobicContact CG-CB 4.19Å; E260-N276 PolarHBondContact O-N 3.35Å; E260-N276 WeakPolarHBondContact OE2-CB 3.38Å; E260-N276 PolarHBondContact OE2-ND2 2.85Å; I262-N276 HydrophobicContact CD1-CB 3.65Å; I262-N276 HydrophobicContact CG1-CB 3.88Å; N276-G278 PolarHBondContact O-N 2.81Å; N276-S341 PolarHBondContact OD1-O 2.96Å
277T70.7Confident59.7Low54 Ų5474.5 Ų74.533%0.33141%0.407SS..  trans-94.182.4165.452.60000105.5E279 S341 G342 T343T277-E279 PolarHBondContact O-N 3.48Å; T277-S341 PolarHBondContact O-OG 3.42Å; T277-G342 VanDerWaalsContact OG1-CA 3.3Å; T277-G342 WeakPolarHBondContact OG1-CA 3.02Å; T277-G342 PolarHBondContact OG1-N 2.76Å; T277-T343 HydrophobicContact CG2-CG2 3.59Å
278G57.2Low56.8Low54 Ų5482 Ų8256%0.55744%0.44SS*.  trans-6477.9-172.400000113.1N276 S280N276-G278 PolarHBondContact O-N 2.81Å; G278-S280 PolarHBondContact O-N 3Å
279E42.5Very low53.8Low127 Ų12784.3 Ų84.359%0.59346%0.458SS*.  trans-83.485.4147.7-72.4-167175.800106.3T277 L281 T340T277-E279 PolarHBondContact O-N 3.48Å; E279-L281 PolarHBondContact O-N 3.04Å; E279-T340 PolarHBondContact O-OG1 3.21Å
280S33.5Very low50.8Low103 Ų10391.3 Ų91.372%0.7250%0.495SS*.  trans-58.1104.2157.8-73.40000107.5G278G278-S280 PolarHBondContact O-N 3Å
281L28.2Very low47.6Very low142 Ų14297.2 Ų97.274%0.74353%0.527SS*.SBendtrans43.782.3162.7-66.5164.2000116E279E279-L281 PolarHBondContact O-N 3.04Å
282V25.3Very low44.4Very low112 Ų112103 Ų10368%0.67957%0.567SS**  trans-142.9119.4152.1-171.10000110.1S284V282-S284 PolarHBondContact O-N 3.43Å
283N23.4Very low41.3Very low170 Ų170110.7 Ų110.791%0.90960%0.597SS**  trans-45.5102.9168.1-73.7-31.7000110.9
284S24.2Very low38.1Very low84 Ų84120.3 Ų120.359%0.58764%0.639SS**  trans-129.697.3165.391.30000110.1V282 N286V282-S284 PolarHBondContact O-N 3.43Å; S284-N286 PolarHBondContact O-N 2.81Å
285Y23.2Very low35Very low231 Ų231126.3 Ų126.391%0.90667%0.671SS**  trans-60125.7164-114.8-103.3000108.4
286N24.2Very low31.9Very low129 Ų129134.2 Ų134.269%0.6971%0.706SS**  trans-135.5102.8167.7-127.2-33.9000110.2S284 F288S284-N286 PolarHBondContact O-N 2.81Å; N286-F288 VanDerWaalsContact C-N 3.33Å; N286-F288 PolarHBondContact O-N 3.36Å
287P28.3Very low29Very low101 Ų101138.7 Ų138.766%0.65673%0.73SS**THydrogen-bonded Turntrans-87.624.1-166.933.6-33.8000115.3
288F25.1Very low26.7Very low180 Ų180144.4 Ų144.479%0.78976%0.756SS**THydrogen-bonded Turntrans-108.85.5-170.8-69.4-72.9000117N286 N290N286-F288 VanDerWaalsContact C-N 3.33Å; N286-F288 PolarHBondContact O-N 3.36Å; F288-N290 PolarHBondContact O-N 2.83Å
289L22.2Very low25Very low168 Ų168151.1 Ų151.188%0.8877%0.77SS**  trans-92.899.8178.5-89.5159.4000112.8L291L289-L291 VanDerWaalsContact C-N 3.27Å; L289-L291 PolarHBondContact O-N 3.42Å
290N21.2Very low24Very low166 Ų166155 Ų15589%0.88879%0.785SS**  trans-7272174.5-138.3-21.5000110F288F288-N290 PolarHBondContact O-N 2.83Å
291L22.9Very low23.4Very low140 Ų140154.9 Ų154.973%0.73378%0.784SS**  trans-85.9114.9173.4-152.476000108.9L289 Y293L289-L291 VanDerWaalsContact C-N 3.27Å; L289-L291 PolarHBondContact O-N 3.42Å; L291-Y293 PolarHBondContact O-N 2.95Å
292S22.1Very low23.1Very low121 Ų121156.3 Ų156.385%0.84679%0.792SS**  trans-49.8104.8178.4179.70000111.1
293Y26.2Very low22.9Very low162 Ų162155.6 Ų155.664%0.63579%0.792SS**  trans-108.7113.7-173.9-138.7-103.1000109.3L291 N295L291-Y293 PolarHBondContact O-N 2.95Å; Y293-N295 HydrophobicContact CD1-CB 3.98Å; Y293-N295 HydrophobicContact CE1-CB 4.15Å; Y293-N295 PolarHBondContact O-N 2.75Å
294K21.6Very low22.8Very low202 Ų202152.4 Ų152.488%0.87878%0.783SS**  trans-84.989.6164.7-74.7-173.3178.4179.60107.9
295N24Very low22.6Very low130 Ų130153.6 Ų153.670%0.69579%0.791SS**  trans-143.3131.8157.9-104.1-21.8000110.9Y293 D297Y293-N295 HydrophobicContact CD1-CB 3.98Å; Y293-N295 HydrophobicContact CE1-CB 4.15Å; Y293-N295 PolarHBondContact O-N 2.75Å; N295-D297 PolarHBondContact O-N 2.91Å
296K22.6Very low22.5Very low195 Ų195148 Ų14885%0.84879%0.786SS**  trans-65.1123.6174.1-77.7178.2172.4178.70109.2
297D21.2Very low22.5Very low142 Ų142148 Ų14876%0.75980%0.796SS**  trans40.1118.8150.6-57.3-46.3000119.1N295N295-D297 PolarHBondContact O-N 2.91Å
298I22.5Very low22.2Very low174 Ų174147.5 Ų147.589%0.89280%0.8SS**  -168.7126112.8-86.9146.7000108.3
299K19.9Very low22Very low195 Ų195145.3 Ų145.385%0.84880%0.801SS**  trans-78.6139.4176.1-65.5172.9175.7175.70110.6
300K22.3Very low21.9Very low208 Ų208141.9 Ų141.990%0.90480%0.797SS**  -175.3140125.6-106.2171.5179.8179.60112.8
301S21.5Very low21.8Very low101 Ų101139.7 Ų139.771%0.70679%0.79SS**  trans-60.6145.3176.650.40000115
302L21.5Very low21.7Very low172 Ų172139 Ų13990%0.90179%0.792SS**  trans-160.8149.5132.2-133.672.4000111.9
303S20.7Very low21.7Very low96 Ų96139 Ų13967%0.67179%0.787SS**  trans-107.7151.6-164.849.30000113.4
304S21.1Very low21.5Very low104 Ų104138.7 Ų138.773%0.72780%0.796SS**  trans66.5130.7140.663.70000122
305S21Very low21.5Very low108 Ų108135.1 Ų135.176%0.75579%0.791SS**  trans124.598.814367.60000112.4
306S20.1Very low21.4Very low115 Ų115135.5 Ų135.580%0.80480%0.799SS**  63.699.376.671.70000114.4
307S23.7Very low21.3Very low128 Ų128132.6 Ų132.690%0.89580%0.797SS**  trans-162.5134.5144.449.60000111.9
308A22Very low21.2Very low91 Ų91132.5 Ų132.575%0.75280%0.802SS**  trans-80.1130.9-176.400000111.1
309V21.1Very low21.2Very low133 Ų133130.5 Ų130.581%0.80680%0.799SS**  49.898.895.6-170.10000113.9
310A20.7Very low21.3Very low97 Ų97128.2 Ų128.280%0.80280%0.801SS**  trans-120.2113.616200000109.2
311T20Very low21.4Very low119 Ų119123 Ų12373%0.7380%0.797SS**  trans-68.7126.7175-37.60000110
312T20.7Very low21.4Very low127 Ų127124.8 Ų124.878%0.77980%0.804SS**  trans-133.4100.416116.80000110
313T21.2Very low21.5Very low120 Ų120120.4 Ų120.474%0.73680%0.8SS**  trans-68.8116.2164.544.20000109.3
314N23Very low21.5Very low155 Ų155121.9 Ų121.983%0.82981%0.805SS**  trans-118122.2165.3-79.9-13.9000110
315T21.1Very low21.5Very low127 Ų127123.7 Ų123.778%0.77981%0.812SS**  trans-73.9142.9-172.726.90000112.7
316T21.3Very low21.5Very low139 Ų139126 Ų12685%0.85382%0.815SS**  trans-46.3123.9163.825.10000112.9
317T20.6Very low21.5Very low133 Ų133125.5 Ų125.582%0.81681%0.811SS**  trans-129.8117.8157.126.60000109.5
318T20.4Very low21.3Very low141 Ų141127.1 Ų127.187%0.86581%0.809SS**  trans-75.2117.6175.231.10000109.7
319T21.9Very low21.3Very low132 Ų132127.7 Ų127.781%0.8181%0.805SS**  trans-125.2114.8165.843.20000110.1A321T319-A321 PolarHBondContact O-N 2.7Å
320T22Very low21.4Very low147 Ų147127.9 Ų127.990%0.90280%0.801SS**  trans-67.6112.8170.846.70000109.4
321A24.6Very low21.5Very low99 Ų99127.2 Ų127.282%0.81879%0.788SS**  trans-120.2118.5170.900000110T319T319-A321 PolarHBondContact O-N 2.7Å
322T21.9Very low21.6Very low138 Ų138126.4 Ų126.485%0.84779%0.787SS**  trans-71.9137.5175.946.30000111.9
323G21.8Very low21.8Very low79 Ų79123.6 Ų123.681%0.81477%0.773SS**  trans68.876.7140.300000117.8
324T22.1Very low22.1Very low128 Ų128125.7 Ų125.779%0.78578%0.775SS**  trans-141.3128.51486.90000108.7L326T324-L326 VanDerWaalsContact C-N 3.32Å; T324-L326 PolarHBondContact O-N 3.25Å
325T20.1Very low22.4Very low142 Ų142121 Ų12187%0.87175%0.754SS**  trans-56.691.5174.648.60000109.3S327T325-S327 VanDerWaalsContact C-N 3.32Å; T325-S327 PolarHBondContact O-N 2.87Å
326L20.5Very low23Very low156 Ų156118.6 Ų118.682%0.81773%0.733SS**  trans-69.596.3171.5-82.3157.5000107.1T324 L328T324-L326 VanDerWaalsContact C-N 3.32Å; T324-L326 PolarHBondContact O-N 3.25Å; L326-L328 PolarHBondContact O-N 3.26Å; L326-L328 VanDerWaalsContact O-N 3.13Å
327S20.3Very low23.9Very low104 Ų104119 Ų11973%0.72773%0.73SS**PPolyproline II helixtrans-46.7117.6155.847.10000107.6T325T325-S327 VanDerWaalsContact C-N 3.32Å; T325-S327 PolarHBondContact O-N 2.87Å
328L21.1Very low25.3Very low162 Ų162118.4 Ų118.485%0.84871%0.713SS**PPolyproline II helixtrans-46.6122.6-179.5-138.882.1000108.4L326 L330L326-L328 PolarHBondContact O-N 3.26Å; L326-L328 VanDerWaalsContact O-N 3.13Å; L328-L330 PolarHBondContact O-N 2.83Å; L328-L330 VanDerWaalsContact O-N 3.12Å
329P21.6Very low27.2Very low104 Ų104113 Ų11368%0.67568%0.679SS**PPolyproline II helixtrans-58.3124.8175.2-16.228.2000107.1P331P329-P331 VanDerWaalsContact O-N 3.13Å
330L21.7Very low29.2Very low137 Ų137109 Ų10972%0.71765%0.654SS**  trans-45124160.6-16872000105.5L328 S332L328-L330 PolarHBondContact O-N 2.83Å; L328-L330 VanDerWaalsContact O-N 3.12Å; L330-S332 PolarHBondContact O-N 2.79Å
331P22.8Very low31.6Very low82 Ų82103 Ų10353%0.53262%0.619SS.*  trans-61.296.9176.422.6-28.5000105.1P329 S333P329-P331 VanDerWaalsContact O-N 3.13Å; P331-S333 PolarHBondContact O-N 3.02Å
332S22.7Very low34.3Very low102 Ų10298.4 Ų98.471%0.71358%0.58SS**  trans-45.5115.9166.746.50000103.5L330 Q334L330-S332 PolarHBondContact O-N 2.79Å; S332-Q334 PolarHBondContact O-N 3.43Å
333S25.7Very low37.4Very low69 Ų6992 Ų9248%0.48354%0.541SS..  trans-2.1101.7167.1157.60000108.6P331 S335P331-S333 PolarHBondContact O-N 3.02Å; S333-S335 PolarHBondContact O-N 3.07Å; S333-S335 PolarHBondContact O-OG 3.37Å
334Q26.8Very low40.5Very low164 Ų16488.2 Ų88.277%0.76650%0.502SS*.  trans-6369.2171.5-76.3-178.2-1400106.8S332 F336S332-Q334 PolarHBondContact O-N 3.43Å; Q334-F336 VanDerWaalsContact C-N 3.34Å; Q334-F336 PolarHBondContact O-N 3.21Å
335S28.4Very low43.6Very low57 Ų5782.3 Ų82.340%0.39947%0.466SS..  trans-53.5111.8152.547.30000102.2S333 N337S333-S335 PolarHBondContact O-N 3.07Å; S333-S335 PolarHBondContact O-OG 3.37Å; S335-N337 PolarHBondContact O-N 3.33Å
336F33.9Very low46.9Very low76 Ų7676.3 Ų76.333%0.33343%0.428SS..  trans-34.8109.1168.6-83.6-94.2000107.2N8 Q334 Y338N8-F336 WeakPolarHBondContact O-CE2 3.45Å; Q334-F336 VanDerWaalsContact C-N 3.34Å; Q334-F336 PolarHBondContact O-N 3.21Å; F336-Y338 VanDerWaalsContact C-N 3.3Å; F336-Y338 PolarHBondContact O-N 2.78Å
337N40.8Very low50.1Low147 Ų14769.3 Ų69.379%0.78639%0.392SS*.  trans-56.3109.1171-84.1-28.5000103.6S335 I339S335-N337 PolarHBondContact O-N 3.33Å; N337-I339 PolarHBondContact O-N 3.48Å
338Y51.2Low53.1Low120 Ų12064.5 Ų64.547%0.47136%0.358SS..  trans-54.6112.7-176.1-67.7-74.2000107F336 T340 K364F336-Y338 VanDerWaalsContact C-N 3.3Å; F336-Y338 PolarHBondContact O-N 2.78Å; Y338-T340 PolarHBondContact O-N 2.82Å; Y338-T340 VanDerWaalsContact O-N 3.08Å; Y338-K364 HydrophobicContact CD1-CG 4.08Å; Y338-K364 HydrophobicContact CE1-CD 4.01Å; Y338-K364 HydrophobicContact CE1-CG 3.91Å
339I59.5Low55.8Low28 Ų2858.9 Ų58.914%0.14433%0.326CS..EExtended strand (participates in β ladder)trans-70.1111.8176.6-67.6142.7000105.3I262 N337 S341 F360 Y362 F363I262-I339 HydrophobicContact CD1-CD1 3.52Å; I262-I339 HydrophobicContact CD1-CG1 3.87Å; I262-I339 HydrophobicContact CD1-CG2 3.92Å; I262-I339 HydrophobicContact CG2-CD1 3.67Å; N337-I339 PolarHBondContact O-N 3.48Å; I339-S341 VanDerWaalsContact C-N 3.34Å; I339-S341 WeakPolarHBondContact CG2-O 3.37Å; I339-S341 PolarHBondContact O-N 2.84Å; I339-F360 HydrophobicContact CG2-CE2 4.25Å; I339-Y362 CarbonylContact O-C 3.56Å; I339-Y362 WeakPolarHBondContact O-CA 3.26Å; I339-Y362 PolarHBondContact O-N 2.83Å; I339-Y362 VanDerWaalsContact O-N 3.14Å; I339-F363 HydrophobicContact CB-CB 4.47Å; I339-F363 HydrophobicContact CD1-CD1 3.91Å; I339-F363 PolarHBondContact O-N 2.8Å; I339-F363 VanDerWaalsContact O-N 3.08Å
340T63Low58.4Low48 Ų4858.4 Ų58.429%0.29432%0.317SS..EExtended strand (participates in β ladder)trans-62-44.8-173.847.50000110.9E279 Y338 T361 Y362E279-T340 PolarHBondContact O-OG1 3.21Å; Y338-T340 PolarHBondContact O-N 2.82Å; Y338-T340 VanDerWaalsContact O-N 3.08Å; T340-T361 CarbonylContact O-C 3.35Å; T340-T361 WeakPolarHBondContact O-CA 3.19Å; T340-T361 WeakPolarHBondContact O-CB 3.08Å; T340-Y362 PolarHBondContact O-N 2.92Å
341S74Confident60.9Low22 Ų2253.3 Ų53.315%0.15429%0.291CS..EExtended strand (participates in β ladder)trans-147.6145.8176.852.80000111.3N276 T277 I339 F360N276-S341 PolarHBondContact OD1-O 2.96Å; T277-S341 PolarHBondContact O-OG 3.42Å; I339-S341 VanDerWaalsContact C-N 3.34Å; I339-S341 WeakPolarHBondContact CG2-O 3.37Å; I339-S341 PolarHBondContact O-N 2.84Å; S341-F360 WeakPolarHBondContact CA-O 3.43Å
342G80.5Confident63.5Low1 Ų157.7 Ų57.71%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-162.2169.917800000112.4K275 T277 F360K275-G342 CarbonylContact O-C 3.53Å; K275-G342 WeakPolarHBondContact O-CA 3.42Å; T277-G342 VanDerWaalsContact OG1-CA 3.3Å; T277-G342 WeakPolarHBondContact OG1-CA 3.02Å; T277-G342 PolarHBondContact OG1-N 2.76Å; G342-F360 PolarHBondContact N-O 2.72Å; G342-F360 WeakPolarHBondContact O-CD1 2.94Å; G342-F360 PolarHBondContact O-N 3.47Å
343T86.2Confident66.2Low3 Ų355 Ų552%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-117.8138.4173.955.60000111.2K275 T277 F358 H359 F360K275-T343 PolarHBondContact N-O 3.27Å; K275-T343 PolarHBondContact O-N 3.22Å; T277-T343 HydrophobicContact CG2-CG2 3.59Å; T343-F358 CarbonylContact C-O 3.4Å; T343-F358 VanDerWaalsContact CA-O 3.3Å; T343-F358 WeakPolarHBondContact CA-O 3.31Å; T343-H359 WeakPolarHBondContact CG2-CD2 3.15Å; T343-H359 WeakPolarHBondContact CG2-NE2 3.42Å; T343-F360 VanDerWaalsContact C-CE1 3.47Å
344I86.9Confident69Low0 Ų055.4 Ų55.40%028%0.276CS..EExtended strand (participates in β ladder)trans-99.6118.6168-179.2171.6000107.7I272 L274 I346 E357 F358 F360 L366 I373 L375 L407I272-I344 HydrophobicContact CG2-CD1 3.52Å; I272-I344 HydrophobicContact CG2-CG1 3.69Å; L274-I344 HydrophobicContact CD2-CB 3.77Å; L274-I344 HydrophobicContact CD2-CD1 4.21Å; L274-I344 HydrophobicContact CD2-CG1 3.96Å; I344-I346 HydrophobicContact CD1-CG1 4.42Å; I344-I346 HydrophobicContact CG1-CG1 4.17Å; I344-E357 CarbonylContact O-C 3.59Å; I344-E357 VanDerWaalsContact O-CA 3.31Å; I344-E357 WeakPolarHBondContact O-CA 3.3Å; I344-F358 HydrophobicContact CG2-CB 3.56Å; I344-F358 HydrophobicContact CG2-CD2 4.07Å; I344-F358 HydrophobicContact CG2-CG 4.29Å; I344-F358 WeakPolarHBondContact CG2-O 3.48Å; I344-F358 PolarHBondContact N-O 2.82Å; I344-F358 PolarHBondContact O-N 3.41Å; I344-F360 HydrophobicContact CB-CD1 4.26Å; I344-F360 HydrophobicContact CB-CE1 4.11Å; I344-F360 HydrophobicContact CG2-CD1 4.25Å; I344-L366 HydrophobicContact CD1-CD1 4.2Å; I344-I373 HydrophobicContact CD1-CG2 4.17Å; I344-L375 HydrophobicContact CD1-CD1 4.31Å; I344-L375 HydrophobicContact CD1-CD2 4.22Å; I344-L375 HydrophobicContact CG2-CD1 4.24Å; I344-L407 HydrophobicContact CD1-CD1 4.29Å; I344-L407 HydrophobicContact CG2-CD1 4.43Å
345V88.3Confident71.6Confident4 Ų450 Ų502%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-106.4116.1175.2-178.70000107.7I273 K275 V354 E357I273-V345 HydrophobicContact CB-CB 4.34Å; I273-V345 PolarHBondContact N-O 2.99Å; I273-V345 PolarHBondContact O-N 2.93Å; K275-V345 HydrophobicContact CD-CG2 4.18Å; V345-V354 HydrophobicContact CG1-CG1 3.89Å; V345-V354 HydrophobicContact CG1-CG2 4.42Å; V345-E357 HydrophobicContact CG2-CG 4.09Å
346I89.9Confident74.2Confident16 Ų1648 Ų488%0.08225%0.248CC..EExtended strand (participates in β ladder)trans-100.9120176.8-53.6-179.6000107.3Y270 I344 V354 A355 G356 F358 I373 L407Y270-I346 HydrophobicContact CD1-CG2 3.95Å; Y270-I346 HydrophobicContact CG-CG2 3.97Å; I344-I346 HydrophobicContact CD1-CG1 4.42Å; I344-I346 HydrophobicContact CG1-CG1 4.17Å; I346-V354 CarbonylContact O-C 3.58Å; I346-A355 HydrophobicContact CG2-CB 4.19Å; I346-A355 WeakPolarHBondContact O-CA 3.2Å; I346-A355 WeakPolarHBondContact O-CB 3.26Å; I346-A355 PolarHBondContact O-N 2.87Å; I346-G356 PolarHBondContact N-O 3.48Å; I346-G356 PolarHBondContact O-N 2.84Å; I346-F358 HydrophobicContact CD1-CD2 4.32Å; I346-F358 HydrophobicContact CD1-CE2 3.92Å; I346-I373 HydrophobicContact CD1-CD1 3.67Å; I346-I373 HydrophobicContact CG1-CD1 4.47Å; I346-L407 HydrophobicContact CD1-CD1 4.04Å
347Q86Confident76.7Confident10 Ų1049.3 Ų49.35%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-125.3131.5-175.8174.9144.611.300111.5L255 Y270 L271 Y349 F353L255-Q347 VanDerWaalsContact CD1-CD 3.45Å; L255-Q347 HydrophobicContact CD2-CB 4.42Å; L255-Q347 HydrophobicContact CD2-CG 3.85Å; Y270-Q347 CarbonylContact C-O 3.52Å; Y270-Q347 WeakPolarHBondContact CA-O 3.35Å; L271-Q347 PolarHBondContact N-O 2.95Å; L271-Q347 PolarHBondContact O-N 3.39Å; Q347-Y349 PolarHBondContact O-N 3.46Å; Q347-F353 WeakPolarHBondContact CG-O 3.39Å
348D84.5Confident78.9Confident2 Ų246.5 Ų46.51%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-78.9111.7169.6-169.7-35.5000108.6N269 Y270 N350 N351 K352 F353N269-D348 PolarHBondContact ND2-OD1 3.03Å; N269-D348 VanDerWaalsContact ND2-OD1 3.14Å; N269-D348 PolarHBondContact ND2-OD2 3.26Å; Y270-D348 HydrophobicContact CD1-CB 4.09Å; Y270-D348 HydrophobicContact CE1-CB 3.92Å; D348-N350 WeakPolarHBondContact OD1-CB 3.25Å; D348-N350 PolarHBondContact OD1-N 3.17Å; D348-N351 HydrophobicContact CB-CB 4.34Å; D348-N351 PolarHBondContact OD1-N 2.81Å; D348-N351 PolarHBondContact OD2-ND2 3.33Å; D348-K352 VanDerWaalsContact O-CA 3.26Å; D348-K352 WeakPolarHBondContact O-CA 3.41Å; D348-K352 PolarHBondContact O-N 2.9Å; D348-F353 HydrophobicContact CB-CD1 4.01Å; D348-F353 HydrophobicContact CB-CE1 3.7Å; D348-F353 HydrophobicContact CB-CE2 4.37Å; D348-F353 HydrophobicContact CB-CG 4.48Å; D348-F353 HydrophobicContact CB-CZ 3.88Å; D348-F353 PolarHBondContact N-O 2.77Å; D348-F353 PolarHBondContact O-N 3.46Å
349Y77.8Confident80.5Confident45 Ų4547.8 Ų47.818%0.17625%0.246CC..THydrogen-bonded Turntrans-80.2-21.2-177.861.3-98.7000112.8I223 K268 N269 L271 Q347I223-Y349 HydrophobicContact CG2-CE2 4.14Å; K268-Y349 PolarHBondContact O-OH 3.03Å; N269-Y349 VanDerWaalsContact CA-CE1 3.44Å; N269-Y349 HydrophobicContact CB-CE1 4.38Å; N269-Y349 WeakPolarHBondContact O-CD1 3.47Å; N269-Y349 WeakPolarHBondContact O-CE1 3.46Å; N269-Y349 PolarHBondContact O-N 3.14Å; L271-Y349 HydrophobicContact CB-CD1 4.25Å; Q347-Y349 PolarHBondContact O-N 3.46Å
350N75.2Confident81.3Confident94 Ų9446.9 Ų46.950%0.50324%0.241SC..THydrogen-bonded Turntrans-74.9-47.4175.4-72.7-11.4000110.6D348D348-N350 WeakPolarHBondContact OD1-CB 3.25Å; D348-N350 PolarHBondContact OD1-N 3.17Å
351N75.5Confident81.9Confident29 Ų2947.9 Ų47.916%0.15525%0.247CC..THydrogen-bonded Turntrans-93-1.3-177.7-64.7-51.9000113.6D348 F353 E430 S434D348-N351 HydrophobicContact CB-CB 4.34Å; D348-N351 PolarHBondContact OD1-N 2.81Å; D348-N351 PolarHBondContact OD2-ND2 3.33Å; N351-F353 VanDerWaalsContact C-N 3.34Å; N351-F353 HydrophobicContact CB-CD1 3.36Å; N351-F353 HydrophobicContact CB-CE1 3.33Å; N351-F353 PolarHBondContact O-N 3Å; N351-E430 PolarHBondContact OD1-O 2.85Å; N351-S434 PolarHBondContact ND2-OG 2.93Å; N351-S434 VanDerWaalsContact ND2-OG 3.07Å; N351-S434 WeakPolarHBondContact OD1-CB 3.42Å; N351-S434 PolarHBondContact OD1-OG 2.93Å
352K76.8Confident81.8Confident174 Ų17449.6 Ų49.676%0.75725%0.251SS*.THydrogen-bonded Turntrans55.337.3175.7-57.6-179.3-179.1176.80115D348D348-K352 VanDerWaalsContact O-CA 3.26Å; D348-K352 WeakPolarHBondContact O-CA 3.41Å; D348-K352 PolarHBondContact O-N 2.9Å
353F79.8Confident81.5Confident46 Ų4650.2 Ų50.220%0.20225%0.253CS..EExtended strand (participates in β ladder)trans-127.8152.9176.673.8-92000112.6Q347 D348 N351 A355 L427 I431Q347-F353 WeakPolarHBondContact CG-O 3.39Å; D348-F353 HydrophobicContact CB-CD1 4.01Å; D348-F353 HydrophobicContact CB-CE1 3.7Å; D348-F353 HydrophobicContact CB-CE2 4.37Å; D348-F353 HydrophobicContact CB-CG 4.48Å; D348-F353 HydrophobicContact CB-CZ 3.88Å; D348-F353 PolarHBondContact N-O 2.77Å; D348-F353 PolarHBondContact O-N 3.46Å; N351-F353 VanDerWaalsContact C-N 3.34Å; N351-F353 HydrophobicContact CB-CD1 3.36Å; N351-F353 HydrophobicContact CB-CE1 3.33Å; N351-F353 PolarHBondContact O-N 3Å; F353-A355 HydrophobicContact CE2-CB 4.02Å; F353-A355 PolarHBondContact O-N 3.41Å; F353-L427 HydrophobicContact CD1-CD1 3.51Å; F353-L427 HydrophobicContact CD2-CD2 4.48Å; F353-L427 HydrophobicContact CE1-CD1 3.71Å; F353-L427 HydrophobicContact CG-CD1 4.04Å; F353-L427 HydrophobicContact CG-CD2 4.48Å; F353-L427 HydrophobicContact CZ-CD1 4.4Å; F353-I431 HydrophobicContact CE1-CD1 4.24Å; F353-I431 HydrophobicContact CE1-CG1 4.18Å; F353-I431 HydrophobicContact CZ-CD1 4.09Å; F353-I431 HydrophobicContact CZ-CG1 4.43Å
354V83.7Confident80.9Confident77 Ų7751.4 Ų51.447%0.46726%0.258SS..EExtended strand (participates in β ladder)trans-78113.1173.4-179.90000109V345 I346V345-V354 HydrophobicContact CG1-CG1 3.89Å; V345-V354 HydrophobicContact CG1-CG2 4.42Å; I346-V354 CarbonylContact O-C 3.58Å
355A81.1Confident80.4Confident50 Ų5051.7 Ų51.741%0.41326%0.26SS..EExtended strand (participates in β ladder)trans-74.9-31.4-179.600000112.5Y270 I346 F353Y270-A355 HydrophobicContact CD1-CB 4.06Å; Y270-A355 HydrophobicContact CE1-CB 3.81Å; I346-A355 HydrophobicContact CG2-CB 4.19Å; I346-A355 WeakPolarHBondContact O-CA 3.2Å; I346-A355 WeakPolarHBondContact O-CB 3.26Å; I346-A355 PolarHBondContact O-N 2.87Å; F353-A355 HydrophobicContact CE2-CB 4.02Å; F353-A355 PolarHBondContact O-N 3.41Å
356G83.3Confident80.2Confident15 Ų1552.4 Ų52.416%0.15526%0.264CS..EExtended strand (participates in β ladder)trans-174.4152.1174.300000112.4I346I346-G356 PolarHBondContact N-O 3.48Å; I346-G356 PolarHBondContact O-N 2.84Å
357E87.6Confident80Confident104 Ų10451.6 Ų51.649%0.48626%0.26SS..EExtended strand (participates in β ladder)trans-126.2125.2171.4-180167.3-161.500108.1I344 V345I344-E357 CarbonylContact O-C 3.59Å; I344-E357 VanDerWaalsContact O-CA 3.31Å; I344-E357 WeakPolarHBondContact O-CA 3.3Å; V345-E357 HydrophobicContact CG2-CG 4.09Å
358F85.6Confident80.1Confident88 Ų8851.9 Ų51.939%0.38626%0.262SS..EExtended strand (participates in β ladder)trans-127.7143.4-179-48.7-92.6000109.9T343 I344 I346 L407T343-F358 CarbonylContact C-O 3.4Å; T343-F358 VanDerWaalsContact CA-O 3.3Å; T343-F358 WeakPolarHBondContact CA-O 3.31Å; I344-F358 HydrophobicContact CG2-CB 3.56Å; I344-F358 HydrophobicContact CG2-CD2 4.07Å; I344-F358 HydrophobicContact CG2-CG 4.29Å; I344-F358 WeakPolarHBondContact CG2-O 3.48Å; I344-F358 PolarHBondContact N-O 2.82Å; I344-F358 PolarHBondContact O-N 3.41Å; I346-F358 HydrophobicContact CD1-CD2 4.32Å; I346-F358 HydrophobicContact CD1-CE2 3.92Å; F358-L407 HydrophobicContact CD1-CD2 4.18Å; F358-L407 HydrophobicContact CD2-CD1 3.78Å; F358-L407 HydrophobicContact CD2-CD2 4.39Å; F358-L407 HydrophobicContact CE1-CD2 4.17Å; F358-L407 HydrophobicContact CE2-CD1 4.06Å; F358-L407 HydrophobicContact CE2-CD2 4.39Å; F358-L407 HydrophobicContact CG-CD1 4.25Å; F358-L407 HydrophobicContact CG-CD2 4.29Å; F358-L407 HydrophobicContact CZ-CD2 4.28Å
359H84.8Confident80.1Confident147 Ų14753.6 Ų53.668%0.68127%0.269SS*.EExtended strand (participates in β ladder)trans-97.4140.1178.1-62.571.9000108.9T343T343-H359 WeakPolarHBondContact CG2-CD2 3.15Å; T343-H359 WeakPolarHBondContact CG2-NE2 3.42Å
360F77.7Confident80.5Confident10 Ų1052.5 Ų52.54%0.04427%0.265CS..EExtended strand (participates in β ladder)trans-133157.917559.4-102.6000110.4L274 I339 S341 G342 T343 I344 F363L274-F360 HydrophobicContact CD2-CD1 4.49Å; L274-F360 HydrophobicContact CD2-CE1 3.51Å; L274-F360 HydrophobicContact CD2-CZ 3.91Å; I339-F360 HydrophobicContact CG2-CE2 4.25Å; S341-F360 WeakPolarHBondContact CA-O 3.43Å; G342-F360 PolarHBondContact N-O 2.72Å; G342-F360 WeakPolarHBondContact O-CD1 2.94Å; G342-F360 PolarHBondContact O-N 3.47Å; T343-F360 VanDerWaalsContact C-CE1 3.47Å; I344-F360 HydrophobicContact CB-CD1 4.26Å; I344-F360 HydrophobicContact CB-CE1 4.11Å; I344-F360 HydrophobicContact CG2-CD1 4.25Å; F360-F363 HydrophobicContact CD2-CB 3.47Å; F360-F363 VanDerWaalsContact CD2-CB 3.47Å; F360-F363 HydrophobicContact CD2-CD2 4.49Å; F360-F363 HydrophobicContact CD2-CG 4.31Å; F360-F363 HydrophobicContact CE2-CB 3.29Å; F360-F363 HydrophobicContact CE2-CD2 4.33Å; F360-F363 AromaticContact CE2-CG 3.92Å; F360-F363 HydrophobicContact CE2-CG 3.92Å; F360-F363 HydrophobicContact CG-CB 4.47Å; F360-F363 HydrophobicContact CZ-CB 4.18Å; F360-F363 HydrophobicContact CZ-CG 4.35Å
361T74.9Confident80.9Confident69 Ų6954 Ų5442%0.42327%0.273SS..EExtended strand (participates in β ladder)trans-123.4150.4171.453.70000110.1T340 F363 C377T340-T361 CarbonylContact O-C 3.35Å; T340-T361 WeakPolarHBondContact O-CA 3.19Å; T340-T361 WeakPolarHBondContact O-CB 3.08Å; T361-F363 PolarHBondContact O-N 2.97Å; T361-C377 WeakPolarHBondContact O-CB 3.49Å
362Y71.8Confident81.4Confident57 Ų5752.6 Ų52.622%0.22427%0.265CS..EExtended strand (participates in β ladder)trans50.250.9178.4-58-82.7000114.1I339 T340 K364 C377 G378 E380I339-Y362 CarbonylContact O-C 3.56Å; I339-Y362 WeakPolarHBondContact O-CA 3.26Å; I339-Y362 PolarHBondContact O-N 2.83Å; I339-Y362 VanDerWaalsContact O-N 3.14Å; T340-Y362 PolarHBondContact O-N 2.92Å; Y362-K364 PolarHBondContact O-N 2.99Å; Y362-C377 CarbonylContact O-C 3.47Å; Y362-C377 VanDerWaalsContact O-CA 3.32Å; Y362-C377 WeakPolarHBondContact O-CA 3.33Å; Y362-G378 PolarHBondContact O-N 2.82Å; Y362-E380 HydrophobicContact CD2-CG 4.05Å; Y362-E380 HydrophobicContact CE2-CB 4.02Å; Y362-E380 HydrophobicContact CE2-CG 3.45Å; Y362-E380 VanDerWaalsContact CE2-CG 3.45Å; Y362-E380 WeakPolarHBondContact CE2-OE1 3.34Å
363F75Confident81.9Confident14 Ų1444.6 Ų44.66%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-64.9130.4-179.6172.4-94.4000111.8L274 I339 F360 T361 A365 L366 L375L274-F363 HydrophobicContact CD1-CE1 4.08Å; L274-F363 HydrophobicContact CD1-CE2 3.99Å; L274-F363 HydrophobicContact CD1-CZ 3.53Å; I339-F363 HydrophobicContact CB-CB 4.47Å; I339-F363 HydrophobicContact CD1-CD1 3.91Å; I339-F363 PolarHBondContact O-N 2.8Å; I339-F363 VanDerWaalsContact O-N 3.08Å; F360-F363 HydrophobicContact CD2-CB 3.47Å; F360-F363 VanDerWaalsContact CD2-CB 3.47Å; F360-F363 HydrophobicContact CD2-CD2 4.49Å; F360-F363 HydrophobicContact CD2-CG 4.31Å; F360-F363 HydrophobicContact CE2-CB 3.29Å; F360-F363 HydrophobicContact CE2-CD2 4.33Å; F360-F363 AromaticContact CE2-CG 3.92Å; F360-F363 HydrophobicContact CE2-CG 3.92Å; F360-F363 HydrophobicContact CG-CB 4.47Å; F360-F363 HydrophobicContact CZ-CB 4.18Å; F360-F363 HydrophobicContact CZ-CG 4.35Å; T361-F363 PolarHBondContact O-N 2.97Å; F363-A365 VanDerWaalsContact CE2-O 3.26Å; F363-A365 WeakPolarHBondContact CE2-O 3.39Å; F363-L366 HydrophobicContact CE2-CB 3.85Å; F363-L366 HydrophobicContact CZ-CB 3.73Å; F363-L375 HydrophobicContact CD2-CD2 3.86Å; F363-L375 HydrophobicContact CE2-CD2 3.63Å
364K72.3Confident82.2Confident28 Ų2844 Ų4412%0.12223%0.227CC..EExtended strand (participates in β ladder)trans-108.4-47.3174.9-62.3-167.6-179.8-174.10112.4Y338 Y362 L376 S402Y338-K364 HydrophobicContact CD1-CG 4.08Å; Y338-K364 HydrophobicContact CE1-CD 4.01Å; Y338-K364 HydrophobicContact CE1-CG 3.91Å; Y362-K364 PolarHBondContact O-N 2.99Å; K364-L376 HydrophobicContact CB-CD2 4.22Å; K364-L376 HydrophobicContact CB-CG 4.28Å; K364-L376 WeakPolarHBondContact CB-O 3.49Å; K364-L376 HydrophobicContact CD-CD2 4.46Å; K364-L376 PolarHBondContact N-O 3.45Å; K364-S402 PolarHBondContact NZ-OG 3.38Å
365A76.9Confident82.1Confident6 Ų640.5 Ų40.55%0.0521%0.206CC..EExtended strand (participates in β ladder)trans-159.4155.6-175.900000112.8T10 F363 F367 L376T10-A365 HydrophobicContact CG2-CB 4.13Å; F363-A365 VanDerWaalsContact CE2-O 3.26Å; F363-A365 WeakPolarHBondContact CE2-O 3.39Å; A365-F367 HydrophobicContact CB-CE1 4.19Å; A365-F367 HydrophobicContact CB-CE2 3.59Å; A365-F367 HydrophobicContact CB-CZ 3.34Å; A365-L376 HydrophobicContact CB-CB 4.4Å; A365-L376 PolarHBondContact N-O 2.85Å; A365-L376 PolarHBondContact O-N 2.83Å
366L84.5Confident81.9Confident19 Ų1939 Ų3910%0.09919%0.192CC..EExtended strand (participates in β ladder)trans-118.4133.8176.6178.174.9000108.9E265 I272 L274 I344 F363 I373 Y374 L375E265-L366 HydrophobicContact CB-CD2 3.86Å; E265-L366 HydrophobicContact CG-CD2 3.9Å; I272-L366 HydrophobicContact CG2-CD2 3.94Å; L274-L366 HydrophobicContact CD1-CB 4.2Å; L274-L366 HydrophobicContact CD1-CD2 3.87Å; L274-L366 HydrophobicContact CG-CD2 4.47Å; I344-L366 HydrophobicContact CD1-CD1 4.2Å; F363-L366 HydrophobicContact CE2-CB 3.85Å; F363-L366 HydrophobicContact CZ-CB 3.73Å; L366-I373 HydrophobicContact CD1-CG2 3.48Å; L366-I373 VanDerWaalsContact CD1-CG2 3.48Å; L366-Y374 CarbonylContact C-O 3.54Å; L366-Y374 WeakPolarHBondContact CA-O 3.26Å; L366-L375 HydrophobicContact CD1-CD2 3.53Å; L366-L375 HydrophobicContact CD1-CG 4.17Å
367F85.7Confident81.6Confident0 Ų038.6 Ų38.60%019%0.186CC..EExtended strand (participates in β ladder)trans-131.5142.8178.6-52-72.3000111.1T10 Y12 I17 F19 A365 Y374 L376T10-F367 VanDerWaalsContact CB-CE1 3.47Å; T10-F367 HydrophobicContact CG2-CE1 4.22Å; T10-F367 HydrophobicContact CG2-CZ 3.97Å; T10-F367 VanDerWaalsContact OG1-CE1 3.28Å; T10-F367 WeakPolarHBondContact OG1-CE1 3.46Å; Y12-F367 HydrophobicContact CD1-CB 4.36Å; Y12-F367 AromaticContact CD1-CD1 3.9Å; Y12-F367 HydrophobicContact CD1-CD1 3.9Å; Y12-F367 HydrophobicContact CG-CD1 4.43Å; I17-F367 HydrophobicContact CD1-CB 4.23Å; I17-F367 HydrophobicContact CD1-CD2 4.41Å; I17-F367 HydrophobicContact CD1-CG 4.22Å; I17-F367 HydrophobicContact CG2-CD1 3.55Å; I17-F367 HydrophobicContact CG2-CD2 4.26Å; I17-F367 HydrophobicContact CG2-CE1 3.54Å; I17-F367 HydrophobicContact CG2-CE2 4.25Å; I17-F367 HydrophobicContact CG2-CG 3.92Å; I17-F367 HydrophobicContact CG2-CZ 3.91Å; F19-F367 HydrophobicContact CD1-CZ 4.29Å; F19-F367 HydrophobicContact CE1-CE1 4.32Å; F19-F367 AromaticContact CE1-CE2 3.86Å; F19-F367 HydrophobicContact CE1-CE2 3.86Å; F19-F367 AromaticContact CE1-CZ 3.38Å; F19-F367 HydrophobicContact CE1-CZ 3.38Å; F19-F367 AromaticContact CZ-CE2 3.88Å; F19-F367 HydrophobicContact CZ-CE2 3.88Å; F19-F367 AromaticContact CZ-CZ 3.69Å; F19-F367 HydrophobicContact CZ-CZ 3.69Å; A365-F367 HydrophobicContact CB-CE1 4.19Å; A365-F367 HydrophobicContact CB-CE2 3.59Å; A365-F367 HydrophobicContact CB-CZ 3.34Å; F367-Y374 PolarHBondContact N-O 3.28Å; F367-Y374 PolarHBondContact O-N 2.78Å; F367-L376 HydrophobicContact CE2-CB 4.1Å
368I86.9Confident80.5Confident16 Ų1634.1 Ų34.18%0.08217%0.168CC..EExtended strand (participates in β ladder)trans-123.792.2177.6-58.1167.8000107.7Y12 E265 T266 Y267 I272Y12-I368 HydrophobicContact CD2-CB 4.4Å; Y12-I368 WeakPolarHBondContact CD2-O 3.43Å; Y12-I368 HydrophobicContact CE2-CB 3.62Å; Y12-I368 WeakPolarHBondContact CE2-O 3.33Å; E265-I368 HydrophobicContact CB-CD1 3.97Å; T266-I368 WeakPolarHBondContact O-CD1 3.37Å; Y267-I368 HydrophobicContact CD2-CG2 3.15Å; Y267-I368 HydrophobicContact CE2-CG2 3.86Å; Y267-I368 HydrophobicContact CG-CG2 3.71Å; I272-I368 HydrophobicContact CD1-CD1 3.62Å; I272-I368 HydrophobicContact CD1-CG1 4.17Å
369E86.1Confident79.2Confident37 Ų3732 Ų3217%0.17316%0.16CC..EExtended strand (participates in β ladder)trans-150.5168.7-176.7-16153.6-104.500108.7G13 G15 N371 G372 Y374G13-E369 WeakPolarHBondContact CA-OE2 3.42Å; G13-E369 PolarHBondContact N-OE2 2.85Å; G13-E369 VanDerWaalsContact N-OE2 3.15Å; G15-E369 WeakPolarHBondContact CA-OE1 3.44Å; G15-E369 VanDerWaalsContact N-CD 3.32Å; G15-E369 PolarHBondContact N-OE1 2.87Å; G15-E369 PolarHBondContact N-OE2 3.29Å; E369-N371 PolarHBondContact O-N 3Å; E369-G372 PolarHBondContact N-O 3.29Å; E369-G372 PolarHBondContact O-N 3.4Å; E369-Y374 WeakPolarHBondContact O-CE2 3.31Å
370W85.5Confident77.5Confident23 Ų2331 Ų319%0.08716%0.156CC..THydrogen-bonded Turntrans5530.5175.2-45.8-35.1000115G15 I17 D30 R31 L33 G372 Y374G15-W370 PolarHBondContact O-NE1 3.03Å; I17-W370 HydrophobicContact CD1-CH2 3.39Å; I17-W370 HydrophobicContact CD1-CZ2 3.87Å; I17-W370 HydrophobicContact CD1-CZ3 3.79Å; I17-W370 HydrophobicContact CG1-CH2 4.02Å; I17-W370 HydrophobicContact CG1-CZ2 3.97Å; D30-W370 WeakPolarHBondContact O-CH2 3.29Å; D30-W370 WeakPolarHBondContact O-CZ2 3.16Å; R31-W370 HydrophobicContact CB-CD2 4.27Å; R31-W370 HydrophobicContact CB-CG 4.33Å; R31-W370 HydrophobicContact CB-CZ2 4.41Å; R31-W370 HydrophobicContact CG-CD2 4.1Å; R31-W370 HydrophobicContact CG-CG 3.97Å; L33-W370 HydrophobicContact CD2-CH2 4.15Å; L33-W370 HydrophobicContact CD2-CZ3 4.32Å; W370-G372 VanDerWaalsContact C-N 3.27Å; W370-G372 PolarHBondContact O-N 3.31Å; W370-Y374 HydrophobicContact CB-CE2 4.18Å; W370-Y374 HydrophobicContact CE3-CD1 4.47Å; W370-Y374 HydrophobicContact CE3-CD2 4.48Å; W370-Y374 AromaticContact CE3-CE1 3.85Å; W370-Y374 HydrophobicContact CE3-CE1 3.85Å; W370-Y374 AromaticContact CE3-CE2 3.9Å; W370-Y374 HydrophobicContact CE3-CE2 3.9Å; W370-Y374 AromaticContact CE3-CZ 3.53Å; W370-Y374 HydrophobicContact CZ3-CD1 4.49Å; W370-Y374 HydrophobicContact CZ3-CE1 4.15Å
371N83.2Confident75.7Confident124 Ų12434 Ų3466%0.66318%0.178SC*.THydrogen-bonded Turntrans59.729.2-175.8-63-16.9000114.7Y267 E369Y267-N371 VanDerWaalsContact OH-CA 3.25Å; Y267-N371 WeakPolarHBondContact OH-CA 3.18Å; Y267-N371 PolarHBondContact OH-O 3.18Å; E369-N371 PolarHBondContact O-N 3Å
372G86.4Confident73.7Confident0 Ų038.3 Ų38.30%019%0.191CC..EExtended strand (participates in β ladder)trans-145.6166176.500000112.9E369 W370 Y374 L407E369-G372 PolarHBondContact N-O 3.29Å; E369-G372 PolarHBondContact O-N 3.4Å; W370-G372 VanDerWaalsContact C-N 3.27Å; W370-G372 PolarHBondContact O-N 3.31Å; G372-Y374 WeakPolarHBondContact O-CD2 3.5Å; G372-L407 WeakPolarHBondContact CA-O 3.26Å
373I87.9Confident71.7Confident7 Ų742.4 Ų42.44%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-100.4117.9172.2-57.5162.4000106.9Y267 I272 I344 I346 L366 L407Y267-I373 HydrophobicContact CD1-CD1 4.01Å; Y267-I373 HydrophobicContact CD1-CG1 3.92Å; Y267-I373 HydrophobicContact CE1-CG1 4.48Å; Y267-I373 HydrophobicContact CG-CG1 4.29Å; I272-I373 HydrophobicContact CD1-CD1 3.51Å; I272-I373 HydrophobicContact CD1-CG1 3.76Å; I272-I373 HydrophobicContact CD1-CG2 4.15Å; I272-I373 HydrophobicContact CG1-CD1 3.98Å; I344-I373 HydrophobicContact CD1-CG2 4.17Å; I346-I373 HydrophobicContact CD1-CD1 3.67Å; I346-I373 HydrophobicContact CG1-CD1 4.47Å; L366-I373 HydrophobicContact CD1-CG2 3.48Å; L366-I373 VanDerWaalsContact CD1-CG2 3.48Å; I373-L407 HydrophobicContact CB-CB 4.24Å; I373-L407 PolarHBondContact N-O 2.92Å; I373-L407 PolarHBondContact O-N 3.38Å
374Y84.3Confident69.6Low32 Ų3250.7 Ų50.713%0.12526%0.256CS..EExtended strand (participates in β ladder)trans-110126.7-176.3-66.6-100.3000110.1L366 F367 E369 W370 G372 M404 I405 C406L366-Y374 CarbonylContact C-O 3.54Å; L366-Y374 WeakPolarHBondContact CA-O 3.26Å; F367-Y374 PolarHBondContact N-O 3.28Å; F367-Y374 PolarHBondContact O-N 2.78Å; E369-Y374 WeakPolarHBondContact O-CE2 3.31Å; W370-Y374 HydrophobicContact CB-CE2 4.18Å; W370-Y374 HydrophobicContact CE3-CD1 4.47Å; W370-Y374 HydrophobicContact CE3-CD2 4.48Å; W370-Y374 AromaticContact CE3-CE1 3.85Å; W370-Y374 HydrophobicContact CE3-CE1 3.85Å; W370-Y374 AromaticContact CE3-CE2 3.9Å; W370-Y374 HydrophobicContact CE3-CE2 3.9Å; W370-Y374 AromaticContact CE3-CZ 3.53Å; W370-Y374 HydrophobicContact CZ3-CD1 4.49Å; W370-Y374 HydrophobicContact CZ3-CE1 4.15Å; G372-Y374 WeakPolarHBondContact O-CD2 3.5Å; Y374-M404 HydrophobicContact CD1-CG 4Å; Y374-M404 HydrophobicContact CD1-SD 3.65Å; Y374-M404 HydrophobicContact CE1-SD 4.34Å; Y374-M404 HydrophobicContact CG-SD 4.44Å; Y374-I405 CarbonylContact C-O 3.59Å; Y374-I405 VanDerWaalsContact CA-O 3.29Å; Y374-I405 WeakPolarHBondContact CA-O 3.25Å; Y374-C406 HydrophobicContact CD1-CB 3.75Å; Y374-C406 HydrophobicContact CE1-CB 3.51Å; Y374-C406 WeakPolarHBondContact CE1-SG 3.35Å; Y374-C406 PolarHBondContact OH-SG 2.91Å
375L81.9Confident67.5Low4 Ų454 Ų542%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-108.1122.3176.6-67.9159.4000108.3L274 I344 F363 L366 M404 I405 L407L274-L375 HydrophobicContact CD2-CD2 4.48Å; I344-L375 HydrophobicContact CD1-CD1 4.31Å; I344-L375 HydrophobicContact CD1-CD2 4.22Å; I344-L375 HydrophobicContact CG2-CD1 4.24Å; F363-L375 HydrophobicContact CD2-CD2 3.86Å; F363-L375 HydrophobicContact CE2-CD2 3.63Å; L366-L375 HydrophobicContact CD1-CD2 3.53Å; L366-L375 HydrophobicContact CD1-CG 4.17Å; L375-M404 CarbonylContact O-C 3.52Å; L375-M404 VanDerWaalsContact O-CA 3.31Å; L375-M404 WeakPolarHBondContact O-CA 3.47Å; L375-I405 HydrophobicContact CB-CB 4.27Å; L375-I405 PolarHBondContact N-O 2.89Å; L375-I405 PolarHBondContact O-N 3.23Å; L375-L407 HydrophobicContact CD1-CD1 4.17Å
376L78.6Confident65.3Low20 Ų2060.5 Ų60.511%0.10532%0.321CS..EExtended strand (participates in β ladder)trans-93111.8169.6-17568.7000108.6F19 K364 A365 F367F19-L376 HydrophobicContact CE1-CD2 3.96Å; F19-L376 HydrophobicContact CZ-CD2 4.48Å; K364-L376 HydrophobicContact CB-CD2 4.22Å; K364-L376 HydrophobicContact CB-CG 4.28Å; K364-L376 WeakPolarHBondContact CB-O 3.49Å; K364-L376 HydrophobicContact CD-CD2 4.46Å; K364-L376 PolarHBondContact N-O 3.45Å; A365-L376 HydrophobicContact CB-CB 4.4Å; A365-L376 PolarHBondContact N-O 2.85Å; A365-L376 PolarHBondContact O-N 2.83Å; F367-L376 HydrophobicContact CE2-CB 4.1Å
377C76Confident62.6Low6 Ų668.5 Ų68.54%0.04136%0.358CS..EExtended strand (participates in β ladder)trans-108.5142.4177.1-60.90000109.9T361 Y362 S402 K403T361-C377 WeakPolarHBondContact O-CB 3.49Å; Y362-C377 CarbonylContact O-C 3.47Å; Y362-C377 VanDerWaalsContact O-CA 3.32Å; Y362-C377 WeakPolarHBondContact O-CA 3.33Å; C377-S402 CarbonylContact O-C 3.56Å; C377-S402 WeakPolarHBondContact O-CA 3.49Å; C377-S402 WeakPolarHBondContact O-CB 3.39Å; C377-K403 PolarHBondContact N-O 2.97Å; C377-K403 PolarHBondContact O-N 2.86Å
378G65.5Low59.9Low10 Ų1077 Ų7710%0.10340%0.397CS..EExtended strand (participates in β ladder)trans-76.7163.9167.400000112.2Y362Y362-G378 PolarHBondContact O-N 2.82Å
379D57.6Low57.1Low43 Ų4381.6 Ų81.623%0.2343%0.427CS..  trans-84.9157.2163.7-113.2-33.6000112.1C381 T401 K403D379-C381 PolarHBondContact O-N 3.14Å; D379-T401 WeakPolarHBondContact CB-O 3.48Å; D379-T401 PolarHBondContact N-O 3.02Å; D379-T401 PolarHBondContact OD2-OG1 3.4Å; D379-K403 IonicContact OD1-NZ 2.7Å; D379-K403 PolarHBondContact OD1-NZ 3.34Å; D379-K403 IonicContact OD2-NZ 2.62Å
380E47.8Very low54.2Low125 Ų12588 Ų8858%0.58446%0.461SS*.SBendtrans-71.716.9179.8-47.5-155.4118.200114.9Y362 F382Y362-E380 HydrophobicContact CD2-CG 4.05Å; Y362-E380 HydrophobicContact CE2-CB 4.02Å; Y362-E380 HydrophobicContact CE2-CG 3.45Å; Y362-E380 VanDerWaalsContact CE2-CG 3.45Å; Y362-E380 WeakPolarHBondContact CE2-OE1 3.34Å; E380-F382 PolarHBondContact O-N 2.74Å
381C40.3Very low51.7Low75 Ų7591.6 Ų91.651%0.50749%0.49SS..  trans-72.819.5-170.2-65.70000115.7D379D379-C381 PolarHBondContact O-N 3.14Å
382F33.9Very low49.2Very low158 Ų15892.2 Ų92.269%0.69349%0.493SS*.SBendtrans-109.587.6165.8-94.4-90.7000108.4E380 T400E380-F382 PolarHBondContact O-N 2.74Å; F382-T400 HydrophobicContact CE2-CG2 4.3Å
383N30.3Very low46.5Very low144 Ų144102.1 Ų102.177%0.7754%0.536SS*.SBendtrans167.31.6141.1-83.7-24.6000115.6
384Q30.9Very low43.8Very low188 Ų188108.6 Ų108.688%0.87957%0.571SS**SBendtrans-106.2123166.3-82.7179.5-10.800110.1
385S27.7Very low41.1Very low98 Ų98115.8 Ų115.869%0.68561%0.606SS**  trans8467.7174.474.20000117.8
386V29.7Very low38.5Very low141 Ų141119.6 Ų119.686%0.85564%0.638SS**SBendtrans-102.2-8.9149.9177.40000112.1
387E29.3Very low36.3Very low187 Ų187123.6 Ų123.687%0.87466%0.662SS**SBendtrans-103.8-2.2-173.7-73-166.8156.800117.7
388E28.8Very low34.2Very low178 Ų178128.7 Ų128.783%0.83269%0.693SS**SBendtrans-124.99-173.7-79.8-166.8159.300119.2
389T27.2Very low33Very low114 Ų114129.9 Ų129.970%0.69971%0.705SS**  trans-133.847.6174.137.60000114.3S391T389-S391 PolarHBondContact O-N 3.2Å
390L25.9Very low32.4Very low172 Ų172130 Ų13090%0.90171%0.708SS**THydrogen-bonded Turntrans-70.180.8146.1-102.281.5000108.3
391S32.9Very low32.8Very low97 Ų97128 Ų12868%0.67870%0.704SS**THydrogen-bonded Turntrans-171.1-11.6155.949.50000118.1T389T389-S391 PolarHBondContact O-N 3.2Å
392N30.1Very low34.1Very low138 Ų138126.8 Ų126.874%0.73870%0.697SS**  trans-119118.1-178.5-81-18.9000113.4D394N392-D394 PolarHBondContact O-N 2.67Å
393K30Very low36Very low208 Ų208124 Ų12490%0.90468%0.684SS**  trans-70.326.3-177-82.6-177169.3179.90115.3
394D31.1Very low38.2Very low142 Ų142120.7 Ų120.776%0.75967%0.665SS**  trans-100.9105.6171.3-70.3-34.9000107.6N392 A396N392-D394 PolarHBondContact O-N 2.67Å; D394-A396 PolarHBondContact O-N 2.95Å
395E28.1Very low40.5Very low184 Ų184115.4 Ų115.486%0.8664%0.642SS**  trans-61.770.1172.5-69.2178.7160.100110.2V397E395-V397 PolarHBondContact O-N 3.44Å
396A28.1Very low43.2Very low84 Ų84113.2 Ų113.269%0.69463%0.626SS**  trans-70.983.5162.300000106.4D394 V398D394-A396 PolarHBondContact O-N 2.95Å; A396-V398 VanDerWaalsContact C-N 3.35Å; A396-V398 PolarHBondContact O-N 3.07Å
397V31.3Very low45.8Very low103 Ų103108 Ų10862%0.62459%0.593SS**  trans-52.8103.5169.2177.80000106.6E395 G399E395-V397 PolarHBondContact O-N 3.44Å; V397-G399 PolarHBondContact O-N 3.16Å
398V32.9Very low48.4Very low113 Ų113103.7 Ų103.769%0.68558%0.58SS**  trans-6685.3175-178.30000106.4A396 T400A396-V398 VanDerWaalsContact C-N 3.35Å; A396-V398 PolarHBondContact O-N 3.07Å; V398-T400 PolarHBondContact O-N 2.92Å; V398-T400 VanDerWaalsContact O-N 3.17Å
399G38.7Very low51Low35 Ų3598 Ų9836%0.36155%0.553SS.*  trans-64.5115.2175.600000107.9V397 T401V397-G399 PolarHBondContact O-N 3.16Å; G399-T401 PolarHBondContact O-N 2.94Å
400T46.5Very low53.7Low46 Ų4698.2 Ų98.228%0.28255%0.545SS..  trans-62.4103.2171.838.70000108.5F382 V398 S402F382-T400 HydrophobicContact CE2-CG2 4.3Å; V398-T400 PolarHBondContact O-N 2.92Å; V398-T400 VanDerWaalsContact O-N 3.17Å; T400-S402 PolarHBondContact O-N 2.98Å
401T55.8Low56.5Low83 Ų8394.3 Ų94.351%0.50952%0.524SS..  trans-63.8135.3172.338.60000108.5D379 G399D379-T401 WeakPolarHBondContact CB-O 3.48Å; D379-T401 PolarHBondContact N-O 3.02Å; D379-T401 PolarHBondContact OD2-OG1 3.4Å; G399-T401 PolarHBondContact O-N 2.94Å
402S67.4Low58.8Low50 Ų5091.4 Ų91.435%0.3550%0.503SS..EExtended strand (participates in β ladder)trans-114.1131.8172.7-55.70000107.7K364 C377 T400K364-S402 PolarHBondContact NZ-OG 3.38Å; C377-S402 CarbonylContact O-C 3.56Å; C377-S402 WeakPolarHBondContact O-CA 3.49Å; C377-S402 WeakPolarHBondContact O-CB 3.39Å; T400-S402 PolarHBondContact O-N 2.98Å
403K73.2Confident61.3Low100 Ų10089.3 Ų89.344%0.43549%0.489SS..EExtended strand (participates in β ladder)trans-95.3136.8178.7-70.5169.3179.7143.90108.8C377 D379C377-K403 PolarHBondContact N-O 2.97Å; C377-K403 PolarHBondContact O-N 2.86Å; D379-K403 IonicContact OD1-NZ 2.7Å; D379-K403 PolarHBondContact OD1-NZ 3.34Å; D379-K403 IonicContact OD2-NZ 2.62Å
404M76.9Confident63.9Low74 Ų7481.6 Ų81.637%0.36546%0.459SS..EExtended strand (participates in β ladder)trans-106.5116.6175.1-170.4-173.8-68.900109.2L33 Y374 L375L33-M404 HydrophobicContact CD2-CE 4.43Å; Y374-M404 HydrophobicContact CD1-CG 4Å; Y374-M404 HydrophobicContact CD1-SD 3.65Å; Y374-M404 HydrophobicContact CE1-SD 4.34Å; Y374-M404 HydrophobicContact CG-SD 4.44Å; L375-M404 CarbonylContact O-C 3.52Å; L375-M404 VanDerWaalsContact O-CA 3.31Å; L375-M404 WeakPolarHBondContact O-CA 3.47Å
405I80.3Confident66.4Low76 Ų7676.5 Ų76.539%0.3943%0.43SS..EExtended strand (participates in β ladder)trans-99.2128.8177.1-57.9171.3000108.1Y374 L375 L407Y374-I405 CarbonylContact C-O 3.59Å; Y374-I405 VanDerWaalsContact CA-O 3.29Å; Y374-I405 WeakPolarHBondContact CA-O 3.25Å; L375-I405 HydrophobicContact CB-CB 4.27Å; L375-I405 PolarHBondContact N-O 2.89Å; L375-I405 PolarHBondContact O-N 3.23Å; I405-L407 HydrophobicContact CG2-CD2 4.47Å
406C83Confident69Low53 Ų5367.9 Ų67.936%0.35839%0.39SS..EExtended strand (participates in β ladder)trans-109122.1178.3-179.50000109.7Y374 T408Y374-C406 HydrophobicContact CD1-CB 3.75Å; Y374-C406 HydrophobicContact CE1-CB 3.51Å; Y374-C406 WeakPolarHBondContact CE1-SG 3.35Å; Y374-C406 PolarHBondContact OH-SG 2.91Å; C406-T408 VanDerWaalsContact SG-CG2 3.59Å
407L84.4Confident71.6Confident30 Ų3067.9 Ų67.916%0.15738%0.378CS..EExtended strand (participates in β ladder)trans-103.2116.4170.4-56.1174.2000108I344 I346 F358 G372 I373 L375 I405I344-L407 HydrophobicContact CD1-CD1 4.29Å; I344-L407 HydrophobicContact CG2-CD1 4.43Å; I346-L407 HydrophobicContact CD1-CD1 4.04Å; F358-L407 HydrophobicContact CD1-CD2 4.18Å; F358-L407 HydrophobicContact CD2-CD1 3.78Å; F358-L407 HydrophobicContact CD2-CD2 4.39Å; F358-L407 HydrophobicContact CE1-CD2 4.17Å; F358-L407 HydrophobicContact CE2-CD1 4.06Å; F358-L407 HydrophobicContact CE2-CD2 4.39Å; F358-L407 HydrophobicContact CG-CD1 4.25Å; F358-L407 HydrophobicContact CG-CD2 4.29Å; F358-L407 HydrophobicContact CZ-CD2 4.28Å; G372-L407 WeakPolarHBondContact CA-O 3.26Å; I373-L407 HydrophobicContact CB-CB 4.24Å; I373-L407 PolarHBondContact N-O 2.92Å; I373-L407 PolarHBondContact O-N 3.38Å; L375-L407 HydrophobicContact CD1-CD1 4.17Å; I405-L407 HydrophobicContact CG2-CD2 4.47Å
408T84.4Confident74Confident97 Ų9766.9 Ų66.960%0.59537%0.368SS*.EExtended strand (participates in β ladder)trans-109142.5176.655.20000110.8C406C406-T408 VanDerWaalsContact SG-CG2 3.59Å
409E83.5Confident76.5Confident58 Ų5862.6 Ų62.627%0.27134%0.341SS..PPolyproline II helixtrans-72.6132.5173.3-168.1-172.1171.600109.8K268 Y270 K415K268-E409 WeakPolarHBondContact CD-OE2 3.45Å; K268-E409 IonicContact NZ-OE2 3.85Å; K268-E409 PolarHBondContact NZ-OE2 2.82Å; Y270-E409 HydrophobicContact CE2-CG 4.13Å; Y270-E409 WeakPolarHBondContact CE2-OE1 3.42Å; Y270-E409 PolarHBondContact OH-OE1 3.35Å; E409-K415 IonicContact OE1-NZ 3.48Å; E409-K415 PolarHBondContact OE1-NZ 2.97Å
410K83.9Confident78.7Confident120 Ų12061.8 Ų61.852%0.52233%0.327SS..PPolyproline II helixtrans-73.4156.3173.5-64.7-172.2-177.5175.70110.9K415 M418K410-K415 HydrophobicContact CB-CG 4.45Å; K410-K415 WeakPolarHBondContact O-CE 3.31Å; K410-M418 HydrophobicContact CD-CE 3.74Å; K410-M418 HydrophobicContact CD-SD 3.97Å; K410-M418 VanDerWaalsContact NZ-CE 3.27Å
411D84.2Confident80.4Confident89 Ų8964.1 Ų64.148%0.47635%0.345SS..PPolyproline II helixtrans-64.4152.2175.364.5-76.8000111.7Q413 T414 K415D411-Q413 PolarHBondContact O-N 2.61Å; D411-Q413 PolarHBondContact OD2-N 3.03Å; D411-T414 PolarHBondContact O-N 3.42Å; D411-T414 PolarHBondContact O-OG1 2.95Å; D411-T414 WeakPolarHBondContact OD1-CB 3.39Å; D411-T414 WeakPolarHBondContact OD1-CG2 3.42Å; D411-T414 PolarHBondContact OD1-OG1 3.35Å; D411-T414 WeakPolarHBondContact OD2-CG2 3.39Å; D411-T414 PolarHBondContact OD2-N 3.04Å; D411-T414 PolarHBondContact OD2-OG1 3.42Å; D411-K415 WeakPolarHBondContact O-CG 3.35Å; D411-K415 PolarHBondContact O-N 2.88Å
412T80.6Confident81.7Confident36 Ų3668.1 Ų68.122%0.22136%0.356CS..Hα-helixtrans-60.6-33.7-175.2-50.30000112.4K415 L416 I431 Q435 F437T412-K415 WeakPolarHBondContact O-CB 3.25Å; T412-K415 PolarHBondContact O-N 3.38Å; T412-L416 HydrophobicContact CG2-CD1 4.49Å; T412-L416 WeakPolarHBondContact O-CG 3.09Å; T412-L416 PolarHBondContact O-N 3.25Å; T412-I431 HydrophobicContact CG2-CG2 4.35Å; T412-Q435 HydrophobicContact CG2-CG 4.46Å; T412-F437 HydrophobicContact CG2-CE2 3.88Å; T412-F437 HydrophobicContact CG2-CZ 3.66Å
413Q82.9Confident82.4Confident95 Ų9572.5 Ų72.544%0.44437%0.369SS..Hα-helixtrans-69.4-45.5179.1-64.8-61.7-18.800111.5D411 K415 L416 D417D411-Q413 PolarHBondContact O-N 2.61Å; D411-Q413 PolarHBondContact OD2-N 3.03Å; Q413-K415 VanDerWaalsContact C-N 3.28Å; Q413-K415 PolarHBondContact O-N 3.29Å; Q413-L416 PolarHBondContact O-N 3.1Å; Q413-L416 VanDerWaalsContact O-N 3.13Å; Q413-D417 PolarHBondContact O-N 3.47Å
414T85.4Confident83Confident46 Ų4671 Ų7128%0.28237%0.365SS..Hα-helixtrans-64.9-31173.257.90000112.6D411 M418D411-T414 PolarHBondContact O-N 3.42Å; D411-T414 PolarHBondContact O-OG1 2.95Å; D411-T414 WeakPolarHBondContact OD1-CB 3.39Å; D411-T414 WeakPolarHBondContact OD1-CG2 3.42Å; D411-T414 PolarHBondContact OD1-OG1 3.35Å; D411-T414 WeakPolarHBondContact OD2-CG2 3.39Å; D411-T414 PolarHBondContact OD2-N 3.04Å; D411-T414 PolarHBondContact OD2-OG1 3.42Å; T414-M418 WeakPolarHBondContact O-CB 3.41Å; T414-M418 WeakPolarHBondContact O-CG 3.47Å; T414-M418 PolarHBondContact O-N 3.49Å
415K83.5Confident83.4Confident34 Ų3468 Ų6815%0.14835%0.35CS..Hα-helixtrans-61.1-49.7169.4-67.6179.6-164.8174.10111Y270 E409 K410 D411 T412 Q413 D417 M418 L419Y270-K415 PolarHBondContact OH-NZ 2.75Å; E409-K415 IonicContact OE1-NZ 3.48Å; E409-K415 PolarHBondContact OE1-NZ 2.97Å; K410-K415 HydrophobicContact CB-CG 4.45Å; K410-K415 WeakPolarHBondContact O-CE 3.31Å; D411-K415 WeakPolarHBondContact O-CG 3.35Å; D411-K415 PolarHBondContact O-N 2.88Å; T412-K415 WeakPolarHBondContact O-CB 3.25Å; T412-K415 PolarHBondContact O-N 3.38Å; Q413-K415 VanDerWaalsContact C-N 3.28Å; Q413-K415 PolarHBondContact O-N 3.29Å; K415-D417 PolarHBondContact O-N 3.35Å; K415-M418 PolarHBondContact O-N 3.25Å; K415-L419 VanDerWaalsContact O-CG 3.28Å; K415-L419 WeakPolarHBondContact O-CG 3.41Å; K415-L419 PolarHBondContact O-N 2.94Å
416L82.1Confident83.6Confident3 Ų369.1 Ų69.12%0.01636%0.357CS..Hα-helixtrans-60.7-44.9179-71174.3000111.2T412 Q413 M418 L419 F420 A428 F437 I445T412-L416 HydrophobicContact CG2-CD1 4.49Å; T412-L416 WeakPolarHBondContact O-CG 3.09Å; T412-L416 PolarHBondContact O-N 3.25Å; Q413-L416 PolarHBondContact O-N 3.1Å; Q413-L416 VanDerWaalsContact O-N 3.13Å; L416-M418 VanDerWaalsContact C-N 3.35Å; L416-M418 PolarHBondContact O-N 3.45Å; L416-L419 CarbonylContact O-C 3.58Å; L416-L419 WeakPolarHBondContact O-CB 3.32Å; L416-L419 PolarHBondContact O-N 2.94Å; L416-F420 VanDerWaalsContact C-CD2 3.47Å; L416-F420 HydrophobicContact CB-CD2 4.32Å; L416-F420 HydrophobicContact CB-CE2 3.71Å; L416-F420 HydrophobicContact CB-CZ 4.06Å; L416-F420 HydrophobicContact CD2-CZ 4.33Å; L416-F420 WeakPolarHBondContact O-CD2 3.28Å; L416-F420 WeakPolarHBondContact O-CG 3.46Å; L416-F420 PolarHBondContact O-N 3.29Å; L416-A428 HydrophobicContact CD2-CB 3.78Å; L416-F437 HydrophobicContact CD1-CE1 3.82Å; L416-F437 HydrophobicContact CD1-CZ 4.13Å; L416-I445 HydrophobicContact CD1-CD1 4.32Å; L416-I445 HydrophobicContact CD2-CD1 4.28Å
417D83.3Confident83.6Confident85 Ų8568.3 Ų68.346%0.45535%0.349SS..Hα-helixtrans-63.6-37.4176.6-75.1-29.1000113.2Q413 K415 L419 F420 S421 R448Q413-D417 PolarHBondContact O-N 3.47Å; K415-D417 PolarHBondContact O-N 3.35Å; D417-L419 VanDerWaalsContact C-N 3.32Å; D417-F420 PolarHBondContact O-N 3.01Å; D417-S421 WeakPolarHBondContact O-CB 3.45Å; D417-S421 PolarHBondContact O-N 3.48Å; D417-S421 PolarHBondContact O-OG 2.92Å; D417-R448 IonicContact OD1-NH1 2.79Å
418M82.3Confident83.6Confident82 Ų8266.9 Ų66.940%0.40434%0.342SS..Hα-helixtrans-65-36.1171.7-73.8176.5-160.900112K410 T414 K415 L416 S421 K422K410-M418 HydrophobicContact CD-CE 3.74Å; K410-M418 HydrophobicContact CD-SD 3.97Å; K410-M418 VanDerWaalsContact NZ-CE 3.27Å; T414-M418 WeakPolarHBondContact O-CB 3.41Å; T414-M418 WeakPolarHBondContact O-CG 3.47Å; T414-M418 PolarHBondContact O-N 3.49Å; K415-M418 PolarHBondContact O-N 3.25Å; L416-M418 VanDerWaalsContact C-N 3.35Å; L416-M418 PolarHBondContact O-N 3.45Å; M418-S421 WeakPolarHBondContact CA-OG 3.42Å; M418-S421 PolarHBondContact O-OG 3.03Å; M418-K422 WeakPolarHBondContact O-CB 3.47Å; M418-K422 WeakPolarHBondContact O-CG 3.38Å; M418-K422 PolarHBondContact O-N 3.3Å; M418-K422 VanDerWaalsContact O-N 3.13Å
419L83.7Confident83.6Confident22 Ų2262.7 Ų62.712%0.11532%0.315CS..Hα-helixtrans-72.9-40.5176.8-69.5167.3000112K415 L416 D417 K422 K423 N424 L427 A428 I431K415-L419 VanDerWaalsContact O-CG 3.28Å; K415-L419 WeakPolarHBondContact O-CG 3.41Å; K415-L419 PolarHBondContact O-N 2.94Å; L416-L419 CarbonylContact O-C 3.58Å; L416-L419 WeakPolarHBondContact O-CB 3.32Å; L416-L419 PolarHBondContact O-N 2.94Å; D417-L419 VanDerWaalsContact C-N 3.32Å; L419-K422 CarbonylContact O-C 3.59Å; L419-K422 PolarHBondContact O-N 3.39Å; L419-K423 PolarHBondContact O-N 3.48Å; L419-N424 HydrophobicContact CD2-CB 4.35Å; L419-N424 PolarHBondContact O-N 3Å; L419-L427 HydrophobicContact CD1-CG 4.29Å; L419-L427 HydrophobicContact CD2-CB 4.35Å; L419-L427 HydrophobicContact CD2-CD2 3.73Å; L419-L427 HydrophobicContact CD2-CG 4.11Å; L419-A428 HydrophobicContact CB-CB 4.17Å; L419-A428 HydrophobicContact CD1-CB 4.13Å; L419-I431 HydrophobicContact CD1-CD1 3.55Å
420F84.9Confident83.5Confident18 Ų1864.2 Ų64.28%0.07932%0.323CS..Hα-helixtrans-63.3-42.4175.1-61.5-37.4000111.6L416 D417 K422 K423 F425 A428 I445 R448L416-F420 VanDerWaalsContact C-CD2 3.47Å; L416-F420 HydrophobicContact CB-CD2 4.32Å; L416-F420 HydrophobicContact CB-CE2 3.71Å; L416-F420 HydrophobicContact CB-CZ 4.06Å; L416-F420 HydrophobicContact CD2-CZ 4.33Å; L416-F420 WeakPolarHBondContact O-CD2 3.28Å; L416-F420 WeakPolarHBondContact O-CG 3.46Å; L416-F420 PolarHBondContact O-N 3.29Å; D417-F420 PolarHBondContact O-N 3.01Å; F420-K422 VanDerWaalsContact C-N 3.3Å; F420-K422 PolarHBondContact O-N 2.93Å; F420-K423 PolarHBondContact O-N 3.34Å; F420-K423 VanDerWaalsContact O-N 3.07Å; F420-F425 AromaticContact CD1-CD1 3.67Å; F420-F425 HydrophobicContact CD1-CD1 3.67Å; F420-F425 AromaticContact CD1-CE1 3.42Å; F420-F425 HydrophobicContact CD1-CE1 3.42Å; F420-F425 VanDerWaalsContact CD1-CE1 3.42Å; F420-F425 HydrophobicContact CD1-CZ 4.24Å; F420-F425 AromaticContact CE1-CD1 3.84Å; F420-F425 HydrophobicContact CE1-CD1 3.84Å; F420-F425 AromaticContact CE1-CE1 3.93Å; F420-F425 HydrophobicContact CE1-CE1 3.93Å; F420-F425 HydrophobicContact CG-CE1 4.35Å; F420-A428 HydrophobicContact CD1-CB 4.45Å; F420-A428 HydrophobicContact CE1-CB 3.83Å; F420-A428 HydrophobicContact CZ-CB 4.46Å; F420-I445 HydrophobicContact CE1-CG2 4.11Å; F420-I445 HydrophobicContact CZ-CG1 4.12Å; F420-I445 HydrophobicContact CZ-CG2 4.27Å; F420-R448 VanDerWaalsContact CE2-NH1 3.31Å
421S82.9Confident83.4Confident95 Ų9559 Ų5966%0.66430%0.3SS*.Hα-helixtrans-65.5-32.8175.155.20000112.7D417 M418 K423D417-S421 WeakPolarHBondContact O-CB 3.45Å; D417-S421 PolarHBondContact O-N 3.48Å; D417-S421 PolarHBondContact O-OG 2.92Å; M418-S421 WeakPolarHBondContact CA-OG 3.42Å; M418-S421 PolarHBondContact O-OG 3.03Å; S421-K423 VanDerWaalsContact C-N 3.29Å; S421-K423 PolarHBondContact O-N 3.35Å
422K83.6Confident83.4Confident168 Ų16854.8 Ų54.873%0.7328%0.278SS*.THydrogen-bonded Turntrans-82.52.3172.1-70.9-177177.7-175.70114.4M418 L419 F420 N424M418-K422 WeakPolarHBondContact O-CB 3.47Å; M418-K422 WeakPolarHBondContact O-CG 3.38Å; M418-K422 PolarHBondContact O-N 3.3Å; M418-K422 VanDerWaalsContact O-N 3.13Å; L419-K422 CarbonylContact O-C 3.59Å; L419-K422 PolarHBondContact O-N 3.39Å; F420-K422 VanDerWaalsContact C-N 3.3Å; F420-K422 PolarHBondContact O-N 2.93Å; K422-N424 PolarHBondContact O-N 3.34Å
423K81.9Confident83.4Confident141 Ų14157.7 Ų57.761%0.61329%0.287SS*.THydrogen-bonded Turntrans58.923.8-178.2-54.3175.1177.3-179.10114.6L419 F420 S421 F425L419-K423 PolarHBondContact O-N 3.48Å; F420-K423 PolarHBondContact O-N 3.34Å; F420-K423 VanDerWaalsContact O-N 3.07Å; S421-K423 VanDerWaalsContact C-N 3.29Å; S421-K423 PolarHBondContact O-N 3.35Å; K423-F425 HydrophobicContact CB-CE2 4.5Å; K423-F425 PolarHBondContact O-N 3.31Å
424N84.8Confident83.1Confident68 Ų6855 Ų5536%0.36428%0.278SS..  trans-99.678.2178.9-168.9-6.4000111.2L419 K422 L427 A428L419-N424 HydrophobicContact CD2-CB 4.35Å; L419-N424 PolarHBondContact O-N 3Å; K422-N424 PolarHBondContact O-N 3.34Å; N424-L427 PolarHBondContact OD1-N 2.91Å; N424-A428 PolarHBondContact O-N 3.25Å
425F85.7Confident82.7Confident12 Ų1256.5 Ų56.55%0.05328%0.282CS..Hα-helixtrans-75.6-30-177.4-67.1-89.6000113.5F420 K423 L427 A428 I429 R448 Y449 H452F420-F425 AromaticContact CD1-CD1 3.67Å; F420-F425 HydrophobicContact CD1-CD1 3.67Å; F420-F425 AromaticContact CD1-CE1 3.42Å; F420-F425 HydrophobicContact CD1-CE1 3.42Å; F420-F425 VanDerWaalsContact CD1-CE1 3.42Å; F420-F425 HydrophobicContact CD1-CZ 4.24Å; F420-F425 AromaticContact CE1-CD1 3.84Å; F420-F425 HydrophobicContact CE1-CD1 3.84Å; F420-F425 AromaticContact CE1-CE1 3.93Å; F420-F425 HydrophobicContact CE1-CE1 3.93Å; F420-F425 HydrophobicContact CG-CE1 4.35Å; K423-F425 HydrophobicContact CB-CE2 4.5Å; K423-F425 PolarHBondContact O-N 3.31Å; F425-L427 PolarHBondContact O-N 3.45Å; F425-A428 WeakPolarHBondContact O-CB 3.12Å; F425-A428 PolarHBondContact O-N 2.59Å; F425-A428 VanDerWaalsContact O-N 3.16Å; F425-I429 WeakPolarHBondContact O-CG1 3.32Å; F425-I429 PolarHBondContact O-N 3.01Å; F425-R448 HydrophobicContact CE1-CB 4.06Å; F425-Y449 HydrophobicContact CB-CD1 4.33Å; F425-Y449 HydrophobicContact CB-CD2 3.35Å; F425-Y449 HydrophobicContact CB-CE2 3.89Å; F425-Y449 HydrophobicContact CB-CG 3.61Å; F425-Y449 HydrophobicContact CD1-CD2 4.18Å; F425-Y449 HydrophobicContact CD1-CG 4.27Å; F425-Y449 AromaticContact CD2-CD2 3.67Å; F425-Y449 HydrophobicContact CD2-CD2 3.67Å; F425-Y449 HydrophobicContact CD2-CE2 4.28Å; F425-Y449 AromaticContact CG-CD2 3.46Å; F425-Y449 HydrophobicContact CG-CD2 3.46Å; F425-Y449 VanDerWaalsContact CG-CD2 3.46Å; F425-Y449 HydrophobicContact CG-CE2 4.28Å; F425-Y449 AromaticContact CG-CG 3.9Å; F425-Y449 HydrophobicContact CG-CG 3.9Å; F425-H452 AromaticContact CD2-CD2 3.84Å; F425-H452 HydrophobicContact CE2-CB 3.71Å; F425-H452 AromaticContact CE2-CD2 3.3Å; F425-H452 WeakPolarHBondContact CE2-CD2 3.28Å; F425-H452 AromaticContact CE2-CG 3.49Å; F425-H452 VanDerWaalsContact CE2-CG 3.49Å; F425-H452 AromaticContact CE2-NE2 3.99Å; F425-H452 HydrophobicContact CZ-CB 3.79Å; F425-H452 AromaticContact CZ-CG 3.97Å
426N85.2Confident82.4Confident99 Ų9963 Ų6353%0.52931%0.313SS..Hα-helixtrans-60.3-48.1178.5-68.1-27.5000110.8A428 I429 E430N426-A428 VanDerWaalsContact C-N 3.32Å; N426-A428 PolarHBondContact O-N 2.8Å; N426-I429 PolarHBondContact O-N 3.28Å; N426-E430 WeakPolarHBondContact O-CG 3.42Å; N426-E430 PolarHBondContact O-N 3.16Å; N426-E430 VanDerWaalsContact O-N 3.1Å
427L81.5Confident82.2Confident37 Ų3764.8 Ų64.819%0.19432%0.321CS..Hα-helixtrans-65.6-35.6176-178.156.2000112.1F353 L419 N424 F425 I429 E430 I431F353-L427 HydrophobicContact CD1-CD1 3.51Å; F353-L427 HydrophobicContact CD2-CD2 4.48Å; F353-L427 HydrophobicContact CE1-CD1 3.71Å; F353-L427 HydrophobicContact CG-CD1 4.04Å; F353-L427 HydrophobicContact CG-CD2 4.48Å; F353-L427 HydrophobicContact CZ-CD1 4.4Å; L419-L427 HydrophobicContact CD1-CG 4.29Å; L419-L427 HydrophobicContact CD2-CB 4.35Å; L419-L427 HydrophobicContact CD2-CD2 3.73Å; L419-L427 HydrophobicContact CD2-CG 4.11Å; N424-L427 PolarHBondContact OD1-N 2.91Å; F425-L427 PolarHBondContact O-N 3.45Å; L427-I429 VanDerWaalsContact C-N 3.34Å; L427-I429 PolarHBondContact O-N 3.43Å; L427-E430 PolarHBondContact O-N 3.25Å; L427-I431 HydrophobicContact CD1-CD1 3.99Å; L427-I431 HydrophobicContact CD1-CG1 4.16Å; L427-I431 HydrophobicContact CG-CD1 3.85Å; L427-I431 HydrophobicContact CG-CG1 4.47Å; L427-I431 WeakPolarHBondContact O-CB 3.35Å; L427-I431 VanDerWaalsContact O-CG1 3.31Å; L427-I431 WeakPolarHBondContact O-CG1 3.44Å; L427-I431 PolarHBondContact O-N 2.95Å
428A84.5Confident82.3Confident0 Ų064 Ų640%032%0.317CS..Hα-helixtrans-62.2-40.5175.500000112.2L416 L419 F420 N424 F425 N426 A432L416-A428 HydrophobicContact CD2-CB 3.78Å; L419-A428 HydrophobicContact CB-CB 4.17Å; L419-A428 HydrophobicContact CD1-CB 4.13Å; F420-A428 HydrophobicContact CD1-CB 4.45Å; F420-A428 HydrophobicContact CE1-CB 3.83Å; F420-A428 HydrophobicContact CZ-CB 4.46Å; N424-A428 PolarHBondContact O-N 3.25Å; F425-A428 WeakPolarHBondContact O-CB 3.12Å; F425-A428 PolarHBondContact O-N 2.59Å; F425-A428 VanDerWaalsContact O-N 3.16Å; N426-A428 VanDerWaalsContact C-N 3.32Å; N426-A428 PolarHBondContact O-N 2.8Å; A428-A432 WeakPolarHBondContact O-CB 3.49Å; A428-A432 PolarHBondContact O-N 2.99Å
429I84.9Confident82.2Confident9 Ų967.3 Ų67.35%0.04633%0.331CS..Hα-helixtrans-65.9-45176.6-69161.7000110.9F425 N426 L427 A432 K433 L442 I445 F446 Y449F425-I429 WeakPolarHBondContact O-CG1 3.32Å; F425-I429 PolarHBondContact O-N 3.01Å; N426-I429 PolarHBondContact O-N 3.28Å; L427-I429 VanDerWaalsContact C-N 3.34Å; L427-I429 PolarHBondContact O-N 3.43Å; I429-A432 PolarHBondContact O-N 3.23Å; I429-K433 HydrophobicContact CG2-CD 4.19Å; I429-K433 VanDerWaalsContact CG2-CE 3.5Å; I429-K433 HydrophobicContact CG2-CG 4.47Å; I429-K433 WeakPolarHBondContact O-CG 3.46Å; I429-K433 PolarHBondContact O-N 3.13Å; I429-L442 HydrophobicContact CG2-CD1 4.39Å; I429-I445 HydrophobicContact CG1-CG2 3.67Å; I429-F446 HydrophobicContact CD1-CD1 3.96Å; I429-F446 HydrophobicContact CD1-CE1 3.71Å; I429-F446 HydrophobicContact CG1-CE1 4.24Å; I429-F446 HydrophobicContact CG2-CE1 4.28Å; I429-F446 HydrophobicContact CG2-CZ 4.25Å; I429-Y449 HydrophobicContact CD1-CD1 4.03Å
430E81.3Confident82.2Confident90 Ų9070 Ų7042%0.42135%0.346SS..Hα-helixtrans-65.8-38.7178.9-65.7-56.1118.800112N351 N426 L427 K433 S434N351-E430 PolarHBondContact OD1-O 2.85Å; N426-E430 WeakPolarHBondContact O-CG 3.42Å; N426-E430 PolarHBondContact O-N 3.16Å; N426-E430 VanDerWaalsContact O-N 3.1Å; L427-E430 PolarHBondContact O-N 3.25Å; E430-K433 PolarHBondContact O-N 3.44Å; E430-K433 IonicContact OE1-NZ 3.35Å; E430-K433 PolarHBondContact OE1-NZ 2.8Å; E430-S434 WeakPolarHBondContact O-CB 3.05Å; E430-S434 PolarHBondContact O-N 3.06Å; E430-S434 PolarHBondContact O-OG 3.41Å
431I81.6Confident82.2Confident10 Ų1073.6 Ų73.65%0.05136%0.363CS..Hα-helixtrans-63.4-44.1171.8-70.1166.5000111.1F353 T412 L419 L427 K433 S434 Q435F353-I431 HydrophobicContact CE1-CD1 4.24Å; F353-I431 HydrophobicContact CE1-CG1 4.18Å; F353-I431 HydrophobicContact CZ-CD1 4.09Å; F353-I431 HydrophobicContact CZ-CG1 4.43Å; T412-I431 HydrophobicContact CG2-CG2 4.35Å; L419-I431 HydrophobicContact CD1-CD1 3.55Å; L427-I431 HydrophobicContact CD1-CD1 3.99Å; L427-I431 HydrophobicContact CD1-CG1 4.16Å; L427-I431 HydrophobicContact CG-CD1 3.85Å; L427-I431 HydrophobicContact CG-CG1 4.47Å; L427-I431 WeakPolarHBondContact O-CB 3.35Å; L427-I431 VanDerWaalsContact O-CG1 3.31Å; L427-I431 WeakPolarHBondContact O-CG1 3.44Å; L427-I431 PolarHBondContact O-N 2.95Å; I431-K433 PolarHBondContact O-N 3.49Å; I431-S434 WeakPolarHBondContact CA-OG 3.14Å; I431-S434 PolarHBondContact O-N 2.95Å; I431-S434 PolarHBondContact O-OG 2.9Å; I431-Q435 HydrophobicContact CG2-CG 4.42Å; I431-Q435 WeakPolarHBondContact O-CB 3.36Å; I431-Q435 VanDerWaalsContact O-CG 3.25Å; I431-Q435 WeakPolarHBondContact O-CG 3.38Å; I431-Q435 PolarHBondContact O-N 2.99Å
432A83.9Confident82.3Confident0 Ų070.5 Ų70.50%034%0.339CS..Hα-helixtrans-64-41.9179.200000112.4A428 I429 Q435 H436 F437 L442 I445A428-A432 WeakPolarHBondContact O-CB 3.49Å; A428-A432 PolarHBondContact O-N 2.99Å; I429-A432 PolarHBondContact O-N 3.23Å; A432-Q435 PolarHBondContact O-N 3.49Å; A432-H436 PolarHBondContact O-N 3.11Å; A432-F437 HydrophobicContact CB-CB 4.2Å; A432-F437 HydrophobicContact CB-CD1 4.15Å; A432-F437 HydrophobicContact CB-CG 4.04Å; A432-F437 WeakPolarHBondContact O-CB 3.37Å; A432-F437 PolarHBondContact O-N 2.98Å; A432-L442 HydrophobicContact CB-CD1 4.19Å; A432-I445 HydrophobicContact CB-CD1 3.38Å
433K82.3Confident82.4Confident98 Ų9863 Ų6343%0.42631%0.308SS..Hα-helixtrans-64.8-44.2175.4-71.5175.1-172.8163.30112.5I429 E430 I431 Q435 H436 L442I429-K433 HydrophobicContact CG2-CD 4.19Å; I429-K433 VanDerWaalsContact CG2-CE 3.5Å; I429-K433 HydrophobicContact CG2-CG 4.47Å; I429-K433 WeakPolarHBondContact O-CG 3.46Å; I429-K433 PolarHBondContact O-N 3.13Å; E430-K433 PolarHBondContact O-N 3.44Å; E430-K433 IonicContact OE1-NZ 3.35Å; E430-K433 PolarHBondContact OE1-NZ 2.8Å; I431-K433 PolarHBondContact O-N 3.49Å; K433-Q435 PolarHBondContact O-N 3.38Å; K433-H436 PolarHBondContact O-N 3.27Å; K433-L442 HydrophobicContact CG-CD1 4.48Å
434S76Confident82.6Confident37 Ų3761 Ų6126%0.25930%0.3SS..Hα-helixtrans-67.9-24.5179.857.20000113.1N351 E430 I431 H436N351-S434 PolarHBondContact ND2-OG 2.93Å; N351-S434 VanDerWaalsContact ND2-OG 3.07Å; N351-S434 WeakPolarHBondContact OD1-CB 3.42Å; N351-S434 PolarHBondContact OD1-OG 2.93Å; E430-S434 WeakPolarHBondContact O-CB 3.05Å; E430-S434 PolarHBondContact O-N 3.06Å; E430-S434 PolarHBondContact O-OG 3.41Å; I431-S434 WeakPolarHBondContact CA-OG 3.14Å; I431-S434 PolarHBondContact O-N 2.95Å; I431-S434 PolarHBondContact O-OG 2.9Å; S434-H436 VanDerWaalsContact C-N 3.3Å
435Q77.5Confident82.7Confident78 Ų7858 Ų5836%0.36428%0.284SS..THydrogen-bonded Turntrans-90.88.9172.5-62.2-65.6-3200112.8T412 I431 A432 K433 F437T412-Q435 HydrophobicContact CG2-CG 4.46Å; I431-Q435 HydrophobicContact CG2-CG 4.42Å; I431-Q435 WeakPolarHBondContact O-CB 3.36Å; I431-Q435 VanDerWaalsContact O-CG 3.25Å; I431-Q435 WeakPolarHBondContact O-CG 3.38Å; I431-Q435 PolarHBondContact O-N 2.99Å; A432-Q435 PolarHBondContact O-N 3.49Å; K433-Q435 PolarHBondContact O-N 3.38Å; Q435-F437 VanDerWaalsContact C-N 3.29Å; Q435-F437 HydrophobicContact CB-CD2 3.73Å; Q435-F437 HydrophobicContact CB-CE2 3.72Å; Q435-F437 PolarHBondContact O-N 3.49Å
436H76.4Confident82.8Confident170 Ų17058.4 Ų58.479%0.78729%0.286SS*.THydrogen-bonded Turntrans52.243179.7-56.7-65.2000113.8A432 K433 S434A432-H436 PolarHBondContact O-N 3.11Å; K433-H436 PolarHBondContact O-N 3.27Å; S434-H436 VanDerWaalsContact C-N 3.3Å
437F79.2Confident83Confident41 Ų4157.3 Ų57.318%0.1828%0.275CS..  trans-57146.9172.6-84.7-137.3000110T412 L416 A432 Q435 E441T412-F437 HydrophobicContact CG2-CE2 3.88Å; T412-F437 HydrophobicContact CG2-CZ 3.66Å; L416-F437 HydrophobicContact CD1-CE1 3.82Å; L416-F437 HydrophobicContact CD1-CZ 4.13Å; A432-F437 HydrophobicContact CB-CB 4.2Å; A432-F437 HydrophobicContact CB-CD1 4.15Å; A432-F437 HydrophobicContact CB-CG 4.04Å; A432-F437 WeakPolarHBondContact O-CB 3.37Å; A432-F437 PolarHBondContact O-N 2.98Å; Q435-F437 VanDerWaalsContact C-N 3.29Å; Q435-F437 HydrophobicContact CB-CD2 3.73Å; Q435-F437 HydrophobicContact CB-CE2 3.72Å; Q435-F437 PolarHBondContact O-N 3.49Å; F437-E441 HydrophobicContact CB-CB 4.44Å; F437-E441 HydrophobicContact CD1-CB 3.78Å; F437-E441 WeakPolarHBondContact CD1-OE2 3.35Å; F437-E441 WeakPolarHBondContact CE1-OE2 3.47Å
438D83.6Confident83.2Confident70 Ų7059.7 Ų59.737%0.37428%0.281SS..  trans-66.9160.7178.178.4-22.9000110.8N440 E441 L442D438-N440 PolarHBondContact O-N 2.87Å; D438-N440 VanDerWaalsContact O-N 3.11Å; D438-N440 WeakPolarHBondContact OD2-CB 3.2Å; D438-N440 PolarHBondContact OD2-ND2 2.87Å; D438-E441 PolarHBondContact O-N 3.13Å; D438-E441 WeakPolarHBondContact OD1-CA 3.37Å; D438-E441 WeakPolarHBondContact OD1-CB 3.44Å; D438-E441 WeakPolarHBondContact OD1-CG 3.05Å; D438-E441 PolarHBondContact OD1-N 2.78Å; D438-L442 WeakPolarHBondContact O-CB 3.06Å; D438-L442 PolarHBondContact O-N 3.25Å
439E80.1Confident83.5Confident150 Ų15061.5 Ų61.570%0.70129%0.288SS*.Hα-helixtrans-61.6-22180-67.1-173.3162.900112.5A443E439-A443 VanDerWaalsContact O-CB 3.23Å; E439-A443 WeakPolarHBondContact O-CB 3.08Å; E439-A443 PolarHBondContact O-N 3.45Å
440N85Confident83.6Confident80 Ų8061.1 Ų61.143%0.42829%0.286SS..Hα-helixtrans-76.9-48.3179.4-52-50000111.8D438 L442 A443 H444 K472D438-N440 PolarHBondContact O-N 2.87Å; D438-N440 VanDerWaalsContact O-N 3.11Å; D438-N440 WeakPolarHBondContact OD2-CB 3.2Å; D438-N440 PolarHBondContact OD2-ND2 2.87Å; N440-L442 VanDerWaalsContact C-N 3.29Å; N440-L442 PolarHBondContact O-N 2.77Å; N440-A443 WeakPolarHBondContact O-CB 3.39Å; N440-A443 PolarHBondContact O-N 3.15Å; N440-H444 PolarHBondContact O-N 2.71Å; N440-K472 VanDerWaalsContact OD1-CD 3.26Å; N440-K472 WeakPolarHBondContact OD1-CD 3.33Å; N440-K472 WeakPolarHBondContact OD1-CE 3.33Å; N440-K472 PolarHBondContact OD1-NZ 3.3Å
441E83.8Confident84Confident92 Ų9258.2 Ų58.243%0.4327%0.273SS..Hα-helixtrans-63.8-39.3174.4-70.1175.4164.800110.1F437 D438 A443 H444 I445F437-E441 HydrophobicContact CB-CB 4.44Å; F437-E441 HydrophobicContact CD1-CB 3.78Å; F437-E441 WeakPolarHBondContact CD1-OE2 3.35Å; F437-E441 WeakPolarHBondContact CE1-OE2 3.47Å; D438-E441 PolarHBondContact O-N 3.13Å; D438-E441 WeakPolarHBondContact OD1-CA 3.37Å; D438-E441 WeakPolarHBondContact OD1-CB 3.44Å; D438-E441 WeakPolarHBondContact OD1-CG 3.05Å; D438-E441 PolarHBondContact OD1-N 2.78Å; E441-A443 PolarHBondContact O-N 3.37Å; E441-H444 VanDerWaalsContact O-CB 3.32Å; E441-H444 WeakPolarHBondContact O-CB 3.22Å; E441-H444 PolarHBondContact O-N 3.38Å; E441-H444 VanDerWaalsContact O-N 3.1Å; E441-I445 WeakPolarHBondContact O-CG1 3.3Å; E441-I445 PolarHBondContact O-N 3Å; E441-I445 VanDerWaalsContact O-N 3.1Å
442L85.1Confident84.3Confident31 Ų3159.1 Ų59.116%0.16228%0.277CS..Hα-helixtrans-63.1-40.8174.3-172.464.2000112I429 A432 K433 D438 N440 H444 I445 F446I429-L442 HydrophobicContact CG2-CD1 4.39Å; A432-L442 HydrophobicContact CB-CD1 4.19Å; K433-L442 HydrophobicContact CG-CD1 4.48Å; D438-L442 WeakPolarHBondContact O-CB 3.06Å; D438-L442 PolarHBondContact O-N 3.25Å; N440-L442 VanDerWaalsContact C-N 3.29Å; N440-L442 PolarHBondContact O-N 2.77Å; L442-H444 VanDerWaalsContact C-N 3.25Å; L442-H444 PolarHBondContact O-N 3.07Å; L442-I445 PolarHBondContact O-N 3.49Å; L442-I445 VanDerWaalsContact O-N 3.15Å; L442-F446 HydrophobicContact CD1-CD2 4.48Å; L442-F446 HydrophobicContact CD1-CE2 4.01Å; L442-F446 HydrophobicContact CD1-CZ 4.4Å; L442-F446 HydrophobicContact CD2-CE2 3.78Å; L442-F446 HydrophobicContact CD2-CZ 4.47Å; L442-F446 HydrophobicContact CG-CD2 3.93Å; L442-F446 HydrophobicContact CG-CE2 3.51Å; L442-F446 HydrophobicContact CG-CZ 4.33Å; L442-F446 VanDerWaalsContact O-CD2 3.26Å; L442-F446 WeakPolarHBondContact O-CD2 3.26Å; L442-F446 PolarHBondContact O-N 2.86Å
443A85.5Confident84.5Confident10 Ų1059.7 Ų59.78%0.08328%0.28CS..Hα-helixtrans-61.2-34.3173.100000112.1E439 N440 E441 F446 W447 T469 K472E439-A443 VanDerWaalsContact O-CB 3.23Å; E439-A443 WeakPolarHBondContact O-CB 3.08Å; E439-A443 PolarHBondContact O-N 3.45Å; N440-A443 WeakPolarHBondContact O-CB 3.39Å; N440-A443 PolarHBondContact O-N 3.15Å; E441-A443 PolarHBondContact O-N 3.37Å; A443-F446 PolarHBondContact O-N 2.96Å; A443-W447 VanDerWaalsContact O-CB 3.31Å; A443-W447 WeakPolarHBondContact O-CB 3.5Å; A443-W447 PolarHBondContact O-N 2.91Å; A443-T469 WeakPolarHBondContact O-CG2 3.48Å; A443-K472 HydrophobicContact CB-CB 3.96Å; A443-K472 HydrophobicContact CB-CG 4.04Å
444H86.4Confident84.7Confident98 Ų9856.1 Ų56.145%0.45426%0.264SS..Hα-helixtrans-66-38.7174.2-169.176.2000112.3N440 E441 L442 W447 R448N440-H444 PolarHBondContact O-N 2.71Å; E441-H444 VanDerWaalsContact O-CB 3.32Å; E441-H444 WeakPolarHBondContact O-CB 3.22Å; E441-H444 PolarHBondContact O-N 3.38Å; E441-H444 VanDerWaalsContact O-N 3.1Å; L442-H444 VanDerWaalsContact C-N 3.25Å; L442-H444 PolarHBondContact O-N 3.07Å; H444-W447 AromaticContact CE1-CE3 3.62Å; H444-W447 AromaticContact CE1-CZ3 3.47Å; H444-W447 VanDerWaalsContact CE1-CZ3 3.47Å; H444-W447 WeakPolarHBondContact CE1-CZ3 3.31Å; H444-W447 AromaticContact ND1-CE3 3.6Å; H444-W447 AromaticContact ND1-CZ3 3.88Å; H444-W447 PolarHBondContact O-N 3.27Å; H444-R448 WeakPolarHBondContact O-CG 3.46Å; H444-R448 PolarHBondContact O-N 3.4Å
445I86.8Confident85.3Confident6 Ų661.2 Ų61.23%0.03128%0.282CS..Hα-helixtrans-65.6-47174.6-59.5177.5000110.6L416 F420 I429 A432 E441 L442 W447 R448 Y449L416-I445 HydrophobicContact CD1-CD1 4.32Å; L416-I445 HydrophobicContact CD2-CD1 4.28Å; F420-I445 HydrophobicContact CE1-CG2 4.11Å; F420-I445 HydrophobicContact CZ-CG1 4.12Å; F420-I445 HydrophobicContact CZ-CG2 4.27Å; I429-I445 HydrophobicContact CG1-CG2 3.67Å; A432-I445 HydrophobicContact CB-CD1 3.38Å; E441-I445 WeakPolarHBondContact O-CG1 3.3Å; E441-I445 PolarHBondContact O-N 3Å; E441-I445 VanDerWaalsContact O-N 3.1Å; L442-I445 PolarHBondContact O-N 3.49Å; L442-I445 VanDerWaalsContact O-N 3.15Å; I445-W447 VanDerWaalsContact C-N 3.29Å; I445-W447 PolarHBondContact O-N 3.41Å; I445-R448 PolarHBondContact O-N 3.25Å; I445-Y449 WeakPolarHBondContact O-CB 3.44Å; I445-Y449 PolarHBondContact O-N 3.47Å
446F88.8Confident85.8Confident21 Ų2163 Ų639%0.09229%0.29CS..Hα-helixtrans-59.5-39.9175.3-76-54.7000112I429 L442 A443 Y449 A450 E465 K468 T469I429-F446 HydrophobicContact CD1-CD1 3.96Å; I429-F446 HydrophobicContact CD1-CE1 3.71Å; I429-F446 HydrophobicContact CG1-CE1 4.24Å; I429-F446 HydrophobicContact CG2-CE1 4.28Å; I429-F446 HydrophobicContact CG2-CZ 4.25Å; L442-F446 HydrophobicContact CD1-CD2 4.48Å; L442-F446 HydrophobicContact CD1-CE2 4.01Å; L442-F446 HydrophobicContact CD1-CZ 4.4Å; L442-F446 HydrophobicContact CD2-CE2 3.78Å; L442-F446 HydrophobicContact CD2-CZ 4.47Å; L442-F446 HydrophobicContact CG-CD2 3.93Å; L442-F446 HydrophobicContact CG-CE2 3.51Å; L442-F446 HydrophobicContact CG-CZ 4.33Å; L442-F446 VanDerWaalsContact O-CD2 3.26Å; L442-F446 WeakPolarHBondContact O-CD2 3.26Å; L442-F446 PolarHBondContact O-N 2.86Å; A443-F446 PolarHBondContact O-N 2.96Å; F446-Y449 PolarHBondContact O-N 2.94Å; F446-A450 VanDerWaalsContact O-CB 3.3Å; F446-A450 WeakPolarHBondContact O-CB 3.16Å; F446-A450 PolarHBondContact O-N 3.03Å; F446-E465 VanDerWaalsContact CD1-OE2 3.22Å; F446-E465 WeakPolarHBondContact CD1-OE2 3.26Å; F446-E465 WeakPolarHBondContact CE1-OE2 3.48Å; F446-K468 HydrophobicContact CD1-CD 3.99Å; F446-K468 HydrophobicContact CD2-CB 4.21Å; F446-K468 HydrophobicContact CE1-CD 3.7Å; F446-K468 HydrophobicContact CE2-CB 4.45Å; F446-K468 HydrophobicContact CE2-CD 4.35Å; F446-K468 HydrophobicContact CG-CB 4.31Å; F446-K468 HydrophobicContact CG-CD 4.47Å; F446-K468 HydrophobicContact CZ-CD 3.9Å; F446-T469 HydrophobicContact CB-CG2 3.64Å
447W88.9Confident86.3Confident76 Ų7662.4 Ų62.429%0.28829%0.286SS..Hα-helixtrans-61.7-48.4175.3173.763.8000112.3A443 H444 I445 Y449 A450 D451 Y466 T469 L473 F477A443-W447 VanDerWaalsContact O-CB 3.31Å; A443-W447 WeakPolarHBondContact O-CB 3.5Å; A443-W447 PolarHBondContact O-N 2.91Å; H444-W447 AromaticContact CE1-CE3 3.62Å; H444-W447 AromaticContact CE1-CZ3 3.47Å; H444-W447 VanDerWaalsContact CE1-CZ3 3.47Å; H444-W447 WeakPolarHBondContact CE1-CZ3 3.31Å; H444-W447 AromaticContact ND1-CE3 3.6Å; H444-W447 AromaticContact ND1-CZ3 3.88Å; H444-W447 PolarHBondContact O-N 3.27Å; I445-W447 VanDerWaalsContact C-N 3.29Å; I445-W447 PolarHBondContact O-N 3.41Å; W447-Y449 VanDerWaalsContact C-N 3.27Å; W447-Y449 PolarHBondContact O-N 2.77Å; W447-A450 PolarHBondContact O-N 3.1Å; W447-D451 WeakPolarHBondContact O-CB 3.49Å; W447-D451 PolarHBondContact O-N 3.1Å; W447-Y466 AromaticContact CD1-CE1 3.7Å; W447-T469 HydrophobicContact CB-CG2 4.32Å; W447-L473 VanDerWaalsContact CD1-CD2 3.45Å; W447-L473 HydrophobicContact CG-CD2 4.31Å; W447-F477 HydrophobicContact CZ2-CE1 4.48Å; W447-F477 HydrophobicContact CZ2-CZ 4.16Å; W447-F477 AromaticContact NE1-CD1 3.84Å; W447-F477 AromaticContact NE1-CE1 3.3Å; W447-F477 VanDerWaalsContact NE1-CE1 3.3Å; W447-F477 AromaticContact NE1-CZ 3.84Å
448R86.6Confident86.7Confident86 Ų8663.8 Ų63.833%0.32530%0.295SS..Hα-helixtrans-62.4-36176.2-70.5-175.971.2174.30.4111.9D417 F420 F425 H444 I445 H452D417-R448 IonicContact OD1-NH1 2.79Å; F420-R448 VanDerWaalsContact CE2-NH1 3.31Å; F425-R448 HydrophobicContact CE1-CB 4.06Å; H444-R448 WeakPolarHBondContact O-CG 3.46Å; H444-R448 PolarHBondContact O-N 3.4Å; I445-R448 PolarHBondContact O-N 3.25Å; R448-H452 WeakPolarHBondContact O-CB 3.32Å; R448-H452 PolarHBondContact O-N 3.49Å
449Y90.1Very high87Confident39 Ų3963.1 Ų63.115%0.15329%0.287CS..Hα-helixtrans-67.8-45.9175.3-177.3-146.3000111.7F425 I429 I445 F446 W447 D451 H452 L453 E465F425-Y449 HydrophobicContact CB-CD1 4.33Å; F425-Y449 HydrophobicContact CB-CD2 3.35Å; F425-Y449 HydrophobicContact CB-CE2 3.89Å; F425-Y449 HydrophobicContact CB-CG 3.61Å; F425-Y449 HydrophobicContact CD1-CD2 4.18Å; F425-Y449 HydrophobicContact CD1-CG 4.27Å; F425-Y449 AromaticContact CD2-CD2 3.67Å; F425-Y449 HydrophobicContact CD2-CD2 3.67Å; F425-Y449 HydrophobicContact CD2-CE2 4.28Å; F425-Y449 AromaticContact CG-CD2 3.46Å; F425-Y449 HydrophobicContact CG-CD2 3.46Å; F425-Y449 VanDerWaalsContact CG-CD2 3.46Å; F425-Y449 HydrophobicContact CG-CE2 4.28Å; F425-Y449 AromaticContact CG-CG 3.9Å; F425-Y449 HydrophobicContact CG-CG 3.9Å; I429-Y449 HydrophobicContact CD1-CD1 4.03Å; I445-Y449 WeakPolarHBondContact O-CB 3.44Å; I445-Y449 PolarHBondContact O-N 3.47Å; F446-Y449 PolarHBondContact O-N 2.94Å; W447-Y449 VanDerWaalsContact C-N 3.27Å; W447-Y449 PolarHBondContact O-N 2.77Å; Y449-D451 PolarHBondContact O-N 2.79Å; Y449-H452 WeakPolarHBondContact O-CB 3.48Å; Y449-H452 PolarHBondContact O-N 3.02Å; Y449-L453 HydrophobicContact CD1-CD1 4.34Å; Y449-L453 HydrophobicContact CD2-CD1 4.05Å; Y449-L453 HydrophobicContact CD2-CG 4.02Å; Y449-L453 HydrophobicContact CE1-CD1 3.99Å; Y449-L453 HydrophobicContact CE2-CD1 3.68Å; Y449-L453 HydrophobicContact CE2-CD2 3.91Å; Y449-L453 HydrophobicContact CE2-CG 3.69Å; Y449-L453 HydrophobicContact CG-CD1 4.36Å; Y449-L453 WeakPolarHBondContact O-CG 3.37Å; Y449-L453 PolarHBondContact O-N 3.28Å; Y449-E465 HydrophobicContact CD1-CB 4.43Å; Y449-E465 HydrophobicContact CD1-CG 3.67Å; Y449-E465 HydrophobicContact CE1-CG 3.73Å
450A87.6Confident87.5Confident0 Ų060 Ų600%028%0.276CS..Hα-helixtrans-62-41.6177.500000112.2F446 W447 H452 L453 Y454 S462 E465 Y466F446-A450 VanDerWaalsContact O-CB 3.3Å; F446-A450 WeakPolarHBondContact O-CB 3.16Å; F446-A450 PolarHBondContact O-N 3.03Å; W447-A450 PolarHBondContact O-N 3.1Å; A450-H452 VanDerWaalsContact C-N 3.33Å; A450-L453 PolarHBondContact O-N 3.23Å; A450-Y454 WeakPolarHBondContact O-CB 3.47Å; A450-Y454 PolarHBondContact O-N 2.93Å; A450-S462 PolarHBondContact O-OG 3.28Å; A450-E465 HydrophobicContact CB-CB 3.81Å; A450-Y466 HydrophobicContact CB-CD1 3.73Å; A450-Y466 HydrophobicContact CB-CD2 3.71Å; A450-Y466 HydrophobicContact CB-CE1 3.72Å; A450-Y466 HydrophobicContact CB-CE2 3.7Å; A450-Y466 HydrophobicContact CB-CG 3.71Å
451D88.6Confident87.7Confident29 Ų2956.8 Ų56.816%0.15526%0.26CS..Hα-helixtrans-66.2-35.8175-178.258.6000111.9W447 Y449 Y454 K455 Y466W447-D451 WeakPolarHBondContact O-CB 3.49Å; W447-D451 PolarHBondContact O-N 3.1Å; Y449-D451 PolarHBondContact O-N 2.79Å; D451-Y454 WeakPolarHBondContact O-CB 3.47Å; D451-Y454 PolarHBondContact O-N 3.05Å; D451-K455 WeakPolarHBondContact O-CG 3.27Å; D451-K455 PolarHBondContact O-N 3.44Å; D451-K455 IonicContact OD1-NZ 3.93Å; D451-K455 WeakPolarHBondContact OD2-CE 3.27Å; D451-K455 IonicContact OD2-NZ 3.22Å; D451-K455 PolarHBondContact OD2-NZ 3.1Å; D451-Y466 WeakPolarHBondContact CA-OH 3.23Å
452H87.9Confident88.1Confident29 Ų2952.4 Ų52.413%0.13424%0.239CC..Hα-helixtrans-65.1-46.3173.5-175.358.3000112.3F425 R448 Y449 A450 Y454 K455 Q456F425-H452 AromaticContact CD2-CD2 3.84Å; F425-H452 HydrophobicContact CE2-CB 3.71Å; F425-H452 AromaticContact CE2-CD2 3.3Å; F425-H452 WeakPolarHBondContact CE2-CD2 3.28Å; F425-H452 AromaticContact CE2-CG 3.49Å; F425-H452 VanDerWaalsContact CE2-CG 3.49Å; F425-H452 AromaticContact CE2-NE2 3.99Å; F425-H452 HydrophobicContact CZ-CB 3.79Å; F425-H452 AromaticContact CZ-CG 3.97Å; R448-H452 WeakPolarHBondContact O-CB 3.32Å; R448-H452 PolarHBondContact O-N 3.49Å; Y449-H452 WeakPolarHBondContact O-CB 3.48Å; Y449-H452 PolarHBondContact O-N 3.02Å; A450-H452 VanDerWaalsContact C-N 3.33Å; H452-Y454 VanDerWaalsContact C-N 3.31Å; H452-Y454 PolarHBondContact O-N 3.4Å; H452-K455 PolarHBondContact O-N 3.2Å; H452-Q456 PolarHBondContact CD2-NE2 3.1Å; H452-Q456 PolarHBondContact NE2-NE2 3.43Å; H452-Q456 WeakPolarHBondContact O-CG 3.41Å; H452-Q456 PolarHBondContact O-N 3.17Å
453L88Confident88.4Confident12 Ų1251.1 Ų51.16%0.06323%0.232CC..Hα-helixtrans-61.9-39.8175.5-70.4170.7000111.5Y449 A450 K455 Q456 K457 D458 A461 E465Y449-L453 HydrophobicContact CD1-CD1 4.34Å; Y449-L453 HydrophobicContact CD2-CD1 4.05Å; Y449-L453 HydrophobicContact CD2-CG 4.02Å; Y449-L453 HydrophobicContact CE1-CD1 3.99Å; Y449-L453 HydrophobicContact CE2-CD1 3.68Å; Y449-L453 HydrophobicContact CE2-CD2 3.91Å; Y449-L453 HydrophobicContact CE2-CG 3.69Å; Y449-L453 HydrophobicContact CG-CD1 4.36Å; Y449-L453 WeakPolarHBondContact O-CG 3.37Å; Y449-L453 PolarHBondContact O-N 3.28Å; A450-L453 PolarHBondContact O-N 3.23Å; L453-K455 VanDerWaalsContact C-N 3.34Å; L453-K455 PolarHBondContact O-N 2.91Å; L453-Q456 CarbonylContact O-C 3.59Å; L453-Q456 WeakPolarHBondContact O-CB 3.13Å; L453-Q456 PolarHBondContact O-N 3.39Å; L453-Q456 VanDerWaalsContact O-N 3.1Å; L453-K457 PolarHBondContact O-N 2.96Å; L453-D458 PolarHBondContact O-N 3.36Å; L453-D458 VanDerWaalsContact O-N 3.09Å; L453-A461 HydrophobicContact CD1-CB 3.87Å; L453-A461 HydrophobicContact CD2-CB 4.37Å; L453-E465 HydrophobicContact CD1-CG 3.93Å
454Y87.9Confident88.7Confident23 Ų2357.3 Ų57.39%0.0925%0.254CS..Hα-helixtrans-57.9-46.5173.8-172.1-80.1000111.3A450 D451 H452 Q456 K457 Y459 R481 F482A450-Y454 WeakPolarHBondContact O-CB 3.47Å; A450-Y454 PolarHBondContact O-N 2.93Å; D451-Y454 WeakPolarHBondContact O-CB 3.47Å; D451-Y454 PolarHBondContact O-N 3.05Å; H452-Y454 VanDerWaalsContact C-N 3.31Å; H452-Y454 PolarHBondContact O-N 3.4Å; Y454-Q456 VanDerWaalsContact C-N 3.26Å; Y454-Q456 PolarHBondContact O-N 3.25Å; Y454-K457 PolarHBondContact O-N 3.43Å; Y454-Y459 HydrophobicContact CD2-CD1 4.04Å; Y454-Y459 HydrophobicContact CD2-CE1 4.14Å; Y454-Y459 HydrophobicContact CE1-CE1 4.38Å; Y454-Y459 AromaticContact CE2-CD1 3.99Å; Y454-Y459 HydrophobicContact CE2-CD1 3.99Å; Y454-Y459 AromaticContact CE2-CE1 3.87Å; Y454-Y459 HydrophobicContact CE2-CE1 3.87Å; Y454-R481 HydrophobicContact CE2-CB 3.83Å; Y454-R481 PolarHBondContact OH-O 3Å; Y454-F482 HydrophobicContact CD2-CE1 4.22Å; Y454-F482 AromaticContact CD2-CE2 3.95Å; Y454-F482 HydrophobicContact CD2-CE2 3.95Å; Y454-F482 AromaticContact CD2-CZ 3.66Å; Y454-F482 HydrophobicContact CD2-CZ 3.66Å; Y454-F482 HydrophobicContact CE2-CD1 4.48Å; Y454-F482 HydrophobicContact CE2-CD2 4.42Å; Y454-F482 HydrophobicContact CE2-CE1 4.14Å; Y454-F482 HydrophobicContact CE2-CE2 4.06Å; Y454-F482 AromaticContact CE2-CZ 3.92Å; Y454-F482 HydrophobicContact CE2-CZ 3.92Å
455K87.5Confident88.8Confident144 Ų14453.7 Ų53.763%0.62624%0.237SC*.Hα-helixtrans-65.4-27.6177.1-74.4166.7177.7159.60113.1D451 H452 L453 K457D451-K455 WeakPolarHBondContact O-CG 3.27Å; D451-K455 PolarHBondContact O-N 3.44Å; D451-K455 IonicContact OD1-NZ 3.93Å; D451-K455 WeakPolarHBondContact OD2-CE 3.27Å; D451-K455 IonicContact OD2-NZ 3.22Å; D451-K455 PolarHBondContact OD2-NZ 3.1Å; H452-K455 PolarHBondContact O-N 3.2Å; L453-K455 VanDerWaalsContact C-N 3.34Å; L453-K455 PolarHBondContact O-N 2.91Å; K455-K457 PolarHBondContact O-N 2.92Å
456Q88.1Confident89Confident116 Ų11653.4 Ų53.454%0.54224%0.236SC..THydrogen-bonded Turntrans-77.9-3.5172.4-69.3-169.442.300113.7H452 L453 Y454 D458H452-Q456 PolarHBondContact CD2-NE2 3.1Å; H452-Q456 PolarHBondContact NE2-NE2 3.43Å; H452-Q456 WeakPolarHBondContact O-CG 3.41Å; H452-Q456 PolarHBondContact O-N 3.17Å; L453-Q456 CarbonylContact O-C 3.59Å; L453-Q456 WeakPolarHBondContact O-CB 3.13Å; L453-Q456 PolarHBondContact O-N 3.39Å; L453-Q456 VanDerWaalsContact O-N 3.1Å; Y454-Q456 VanDerWaalsContact C-N 3.26Å; Y454-Q456 PolarHBondContact O-N 3.25Å; Q456-D458 PolarHBondContact O-N 3.06Å
457K86.2Confident89.2Confident158 Ų15854 Ų5469%0.68724%0.239SC*.THydrogen-bonded Turntrans67.417.9-174-48.5179.2177.2-1770114.3L453 Y454 K455 Y459L453-K457 PolarHBondContact O-N 2.96Å; Y454-K457 PolarHBondContact O-N 3.43Å; K455-K457 PolarHBondContact O-N 2.92Å; K457-Y459 HydrophobicContact CB-CE2 3.98Å; K457-Y459 VanDerWaalsContact O-CD2 3.29Å; K457-Y459 WeakPolarHBondContact O-CD2 3.49Å; K457-Y459 WeakPolarHBondContact O-CE2 3.42Å; K457-Y459 PolarHBondContact O-N 3.23Å
458D89.2Confident89.1Confident69 Ų6955.1 Ų55.137%0.36925%0.246SC..  trans-90.581.9169.2-173.4-10.3000109.2L453 Q456 A461 S462L453-D458 PolarHBondContact O-N 3.36Å; L453-D458 VanDerWaalsContact O-N 3.09Å; Q456-D458 PolarHBondContact O-N 3.06Å; D458-A461 VanDerWaalsContact CG-CB 3.45Å; D458-A461 WeakPolarHBondContact OD1-CB 3.49Å; D458-A461 PolarHBondContact OD1-N 3.2Å; D458-A461 VanDerWaalsContact OD2-CB 3.28Å; D458-A461 WeakPolarHBondContact OD2-CB 3.43Å; D458-S462 WeakPolarHBondContact O-CB 3.3Å; D458-S462 PolarHBondContact O-N 3.29Å
459Y90Very high89.2Confident57 Ų5751.1 Ų51.122%0.22423%0.231CC..Hα-helixtrans-70.6-33.8-175.3-58.7-69.1000112.6Y454 K457 S462 I463 F482 H487Y454-Y459 HydrophobicContact CD2-CD1 4.04Å; Y454-Y459 HydrophobicContact CD2-CE1 4.14Å; Y454-Y459 HydrophobicContact CE1-CE1 4.38Å; Y454-Y459 AromaticContact CE2-CD1 3.99Å; Y454-Y459 HydrophobicContact CE2-CD1 3.99Å; Y454-Y459 AromaticContact CE2-CE1 3.87Å; Y454-Y459 HydrophobicContact CE2-CE1 3.87Å; K457-Y459 HydrophobicContact CB-CE2 3.98Å; K457-Y459 VanDerWaalsContact O-CD2 3.29Å; K457-Y459 WeakPolarHBondContact O-CD2 3.49Å; K457-Y459 WeakPolarHBondContact O-CE2 3.42Å; K457-Y459 PolarHBondContact O-N 3.23Å; Y459-S462 PolarHBondContact O-N 3.49Å; Y459-I463 PolarHBondContact O-N 3.09Å; Y459-F482 HydrophobicContact CD1-CE1 4.07Å; Y459-H487 AromaticContact CD1-CE1 3.97Å; Y459-H487 AromaticContact CD2-CE1 3.41Å; Y459-H487 VanDerWaalsContact CD2-CE1 3.41Å; Y459-H487 WeakPolarHBondContact CD2-CE1 3.49Å; Y459-H487 AromaticContact CD2-ND1 3.95Å; Y459-H487 AromaticContact CE1-CE1 3.92Å; Y459-H487 AromaticContact CE1-NE2 3.85Å; Y459-H487 AromaticContact CE2-CE1 3.36Å; Y459-H487 WeakPolarHBondContact CE2-CE1 3.5Å; Y459-H487 AromaticContact CE2-NE2 3.88Å; Y459-H487 AromaticContact CG-CE1 3.71Å; Y459-H487 AromaticContact CG-ND1 3.94Å; Y459-H487 AromaticContact CZ-CE1 3.61Å; Y459-H487 AromaticContact CZ-NE2 3.65Å
460D89.7Confident88.9Confident85 Ų8549.8 Ų49.846%0.45523%0.227SC..Hα-helixtrans-71.6-41.6-178.2-65.6-46000111.7I463 R464 Q490D460-I463 WeakPolarHBondContact O-CG2 3.44Å; D460-R464 WeakPolarHBondContact O-CG 3.39Å; D460-R464 PolarHBondContact O-N 3.48Å; D460-R464 PolarHBondContact O-NH1 2.97Å; D460-R464 VanDerWaalsContact O-NH1 3.1Å; D460-Q490 PolarHBondContact OD1-NE2 3.24Å
461A89.4Confident88.6Confident11 Ų1152.3 Ų52.39%0.09125%0.253CS..Hα-helixtrans-69.4-41.2171.900000111.4L453 D458 I463 R464 E465L453-A461 HydrophobicContact CD1-CB 3.87Å; L453-A461 HydrophobicContact CD2-CB 4.37Å; D458-A461 VanDerWaalsContact CG-CB 3.45Å; D458-A461 WeakPolarHBondContact OD1-CB 3.49Å; D458-A461 PolarHBondContact OD1-N 3.2Å; D458-A461 VanDerWaalsContact OD2-CB 3.28Å; D458-A461 WeakPolarHBondContact OD2-CB 3.43Å; A461-I463 PolarHBondContact O-N 3.35Å; A461-R464 VanDerWaalsContact CA-NH2 3.33Å; A461-R464 PolarHBondContact O-N 3.35Å; A461-E465 PolarHBondContact O-N 2.9Å; A461-E465 VanDerWaalsContact O-N 3.17Å
462S91.9Very high88.3Confident0 Ų056.4 Ų56.40%027%0.269CS..Hα-helixtrans-55.7-48.4179-179.60000112A450 D458 Y459 R464 E465 Y466A450-S462 PolarHBondContact O-OG 3.28Å; D458-S462 WeakPolarHBondContact O-CB 3.3Å; D458-S462 PolarHBondContact O-N 3.29Å; Y459-S462 PolarHBondContact O-N 3.49Å; S462-R464 PolarHBondContact O-N 2.65Å; S462-E465 PolarHBondContact O-N 3.47Å; S462-Y466 VanDerWaalsContact O-CD2 3.27Å; S462-Y466 WeakPolarHBondContact O-CD2 3.4Å; S462-Y466 PolarHBondContact O-N 3.32Å; S462-Y466 WeakPolarHBondContact OG-CE2 3.38Å
463I91.1Very high88.2Confident4 Ų457 Ų572%0.02127%0.273CS..Hα-helixtrans-67.3-35.9-177.6-156.962.6000112.6Y459 D460 A461 E465 Y466 I467 V478 F482 Q490 Y494Y459-I463 PolarHBondContact O-N 3.09Å; D460-I463 WeakPolarHBondContact O-CG2 3.44Å; A461-I463 PolarHBondContact O-N 3.35Å; I463-E465 VanDerWaalsContact C-N 3.28Å; I463-E465 PolarHBondContact O-N 2.81Å; I463-Y466 HydrophobicContact CD1-CD2 4.46Å; I463-Y466 PolarHBondContact O-N 3.3Å; I463-I467 VanDerWaalsContact O-CG1 3.27Å; I463-I467 WeakPolarHBondContact O-CG1 3.5Å; I463-I467 PolarHBondContact O-N 3.47Å; I463-V478 HydrophobicContact CD1-CG1 3.89Å; I463-F482 HydrophobicContact CB-CZ 4.32Å; I463-F482 HydrophobicContact CD1-CD2 3.94Å; I463-F482 HydrophobicContact CD1-CE1 4.32Å; I463-F482 HydrophobicContact CD1-CE2 3.69Å; I463-F482 HydrophobicContact CD1-CG 4.38Å; I463-F482 HydrophobicContact CD1-CZ 3.89Å; I463-Q490 HydrophobicContact CB-CB 4.29Å; I463-Q490 HydrophobicContact CG1-CB 4.27Å; I463-Q490 WeakPolarHBondContact CG1-O 3.34Å; I463-Q490 HydrophobicContact CG2-CB 4.25Å; I463-Q490 HydrophobicContact CG2-CG 4.23Å; I463-Y494 HydrophobicContact CD1-CD2 4.07Å; I463-Y494 HydrophobicContact CD1-CG 4.08Å
464R91.1Very high88Confident140 Ų14062.7 Ų62.753%0.52830%0.299SS..Hα-helixtrans-61.2-38.6174.6-72.3-170.9-58.5-93.94.9112D460 A461 S462D460-R464 WeakPolarHBondContact O-CG 3.39Å; D460-R464 PolarHBondContact O-N 3.48Å; D460-R464 PolarHBondContact O-NH1 2.97Å; D460-R464 VanDerWaalsContact O-NH1 3.1Å; A461-R464 VanDerWaalsContact CA-NH2 3.33Å; A461-R464 PolarHBondContact O-N 3.35Å; S462-R464 PolarHBondContact O-N 2.65Å
465E89.3Confident88Confident23 Ų2362.2 Ų62.211%0.10730%0.3CS..Hα-helixtrans-73.1-38.8175.3-61.8-53.8134.300111.8F446 Y449 A450 L453 A461 S462 I463 I467 K468F446-E465 VanDerWaalsContact CD1-OE2 3.22Å; F446-E465 WeakPolarHBondContact CD1-OE2 3.26Å; F446-E465 WeakPolarHBondContact CE1-OE2 3.48Å; Y449-E465 HydrophobicContact CD1-CB 4.43Å; Y449-E465 HydrophobicContact CD1-CG 3.67Å; Y449-E465 HydrophobicContact CE1-CG 3.73Å; A450-E465 HydrophobicContact CB-CB 3.81Å; L453-E465 HydrophobicContact CD1-CG 3.93Å; A461-E465 PolarHBondContact O-N 2.9Å; A461-E465 VanDerWaalsContact O-N 3.17Å; S462-E465 PolarHBondContact O-N 3.47Å; I463-E465 VanDerWaalsContact C-N 3.28Å; I463-E465 PolarHBondContact O-N 2.81Å; E465-I467 VanDerWaalsContact C-N 3.29Å; E465-I467 PolarHBondContact O-N 3.05Å; E465-K468 WeakPolarHBondContact O-CB 3.41Å; E465-K468 PolarHBondContact O-N 3.15Å; E465-K468 VanDerWaalsContact O-N 3.09Å; E465-K468 IonicContact OE1-NZ 3.98Å; E465-K468 PolarHBondContact OE1-NZ 3.27Å; E465-K468 WeakPolarHBondContact OE2-CD 3.29Å; E465-K468 WeakPolarHBondContact OE2-CE 3.45Å; E465-K468 IonicContact OE2-NZ 2.74Å; E465-K468 PolarHBondContact OE2-NZ 2.72Å
466Y91.8Very high87.9Confident0 Ų058 Ų580%029%0.289CS..Hα-helixtrans-60.5-35.5172.6-81.4-58.9000113W447 A450 D451 S462 I463 K468 T469 L473 F477 V478 F482W447-Y466 AromaticContact CD1-CE1 3.7Å; A450-Y466 HydrophobicContact CB-CD1 3.73Å; A450-Y466 HydrophobicContact CB-CD2 3.71Å; A450-Y466 HydrophobicContact CB-CE1 3.72Å; A450-Y466 HydrophobicContact CB-CE2 3.7Å; A450-Y466 HydrophobicContact CB-CG 3.71Å; D451-Y466 WeakPolarHBondContact CA-OH 3.23Å; S462-Y466 VanDerWaalsContact O-CD2 3.27Å; S462-Y466 WeakPolarHBondContact O-CD2 3.4Å; S462-Y466 PolarHBondContact O-N 3.32Å; S462-Y466 WeakPolarHBondContact OG-CE2 3.38Å; I463-Y466 HydrophobicContact CD1-CD2 4.46Å; I463-Y466 PolarHBondContact O-N 3.3Å; Y466-K468 PolarHBondContact O-N 3.06Å; Y466-T469 WeakPolarHBondContact O-CB 3.47Å; Y466-T469 PolarHBondContact O-N 3.31Å; Y466-T469 PolarHBondContact O-OG1 3.18Å; Y466-L473 HydrophobicContact CD1-CD2 3.98Å; Y466-L473 HydrophobicContact CE1-CD2 4.11Å; Y466-F477 HydrophobicContact CE1-CE1 4.37Å; Y466-V478 HydrophobicContact CD1-CG2 3.66Å; Y466-V478 HydrophobicContact CD2-CG1 4.27Å; Y466-V478 HydrophobicContact CE1-CG2 4.11Å; Y466-V478 HydrophobicContact CG-CG1 4.12Å; Y466-V478 HydrophobicContact CG-CG2 4.03Å; Y466-F482 AromaticContact CD2-CE2 3.8Å; Y466-F482 HydrophobicContact CD2-CE2 3.8Å; Y466-F482 HydrophobicContact CD2-CZ 4.23Å; Y466-F482 AromaticContact CE2-CE2 3.79Å; Y466-F482 HydrophobicContact CE2-CE2 3.79Å; Y466-F482 HydrophobicContact CE2-CZ 4.26Å
467I91.2Very high87.9Confident32 Ų3255.6 Ų55.616%0.16428%0.277CS..Hα-helixtrans-60.1-33.1175.8-72.6165.3000111.4I463 E465 T469 I470 T493 Y494 A497 R501I463-I467 VanDerWaalsContact O-CG1 3.27Å; I463-I467 WeakPolarHBondContact O-CG1 3.5Å; I463-I467 PolarHBondContact O-N 3.47Å; E465-I467 VanDerWaalsContact C-N 3.29Å; E465-I467 PolarHBondContact O-N 3.05Å; I467-T469 PolarHBondContact O-N 3.21Å; I467-I470 HydrophobicContact CB-CD1 4.28Å; I467-I470 HydrophobicContact CG1-CD1 4.34Å; I467-I470 HydrophobicContact CG2-CD1 4.1Å; I467-I470 WeakPolarHBondContact O-CG1 3.31Å; I467-I470 PolarHBondContact O-N 3.33Å; I467-T493 HydrophobicContact CD1-CG2 4.01Å; I467-Y494 HydrophobicContact CG1-CD2 4.08Å; I467-A497 HydrophobicContact CD1-CB 4.24Å; I467-A497 HydrophobicContact CG1-CB 4.02Å; I467-A497 HydrophobicContact CG2-CB 3.93Å; I467-R501 PolarHBondContact O-NH1 3.39Å; I467-R501 PolarHBondContact O-NH2 2.96Å
468K86.9Confident87.9Confident101 Ų10148.1 Ų48.144%0.43924%0.244SC..Hα-helixtrans-67.7-21.2176-60.3177.8-167.6162.60112.7F446 E465 Y466F446-K468 HydrophobicContact CD1-CD 3.99Å; F446-K468 HydrophobicContact CD2-CB 4.21Å; F446-K468 HydrophobicContact CE1-CD 3.7Å; F446-K468 HydrophobicContact CE2-CB 4.45Å; F446-K468 HydrophobicContact CE2-CD 4.35Å; F446-K468 HydrophobicContact CG-CB 4.31Å; F446-K468 HydrophobicContact CG-CD 4.47Å; F446-K468 HydrophobicContact CZ-CD 3.9Å; E465-K468 WeakPolarHBondContact O-CB 3.41Å; E465-K468 PolarHBondContact O-N 3.15Å; E465-K468 VanDerWaalsContact O-N 3.09Å; E465-K468 IonicContact OE1-NZ 3.98Å; E465-K468 PolarHBondContact OE1-NZ 3.27Å; E465-K468 WeakPolarHBondContact OE2-CD 3.29Å; E465-K468 WeakPolarHBondContact OE2-CE 3.45Å; E465-K468 IonicContact OE2-NZ 2.74Å; E465-K468 PolarHBondContact OE2-NZ 2.72Å; Y466-K468 PolarHBondContact O-N 3.06Å
469T88.8Confident87.8Confident1 Ų145.6 Ų45.61%0.00623%0.231CC..THydrogen-bonded Turntrans-90.2-2.3-18071.50000114.5A443 F446 W447 Y466 I467 G471 K472 L473A443-T469 WeakPolarHBondContact O-CG2 3.48Å; F446-T469 HydrophobicContact CB-CG2 3.64Å; W447-T469 HydrophobicContact CB-CG2 4.32Å; Y466-T469 WeakPolarHBondContact O-CB 3.47Å; Y466-T469 PolarHBondContact O-N 3.31Å; Y466-T469 PolarHBondContact O-OG1 3.18Å; I467-T469 PolarHBondContact O-N 3.21Å; T469-G471 PolarHBondContact O-N 2.81Å; T469-K472 PolarHBondContact O-N 2.72Å; T469-K472 VanDerWaalsContact O-N 3.15Å; T469-L473 PolarHBondContact O-N 3.11Å
470I85.6Confident87.7Confident11 Ų1150 Ų506%0.05625%0.253CS..BIsolated β-bridgetrans-59.8131.6-178.7-68.4169.4000110.7I467 Y494 A497 L498 R501 L503I467-I470 HydrophobicContact CB-CD1 4.28Å; I467-I470 HydrophobicContact CG1-CD1 4.34Å; I467-I470 HydrophobicContact CG2-CD1 4.1Å; I467-I470 WeakPolarHBondContact O-CG1 3.31Å; I467-I470 PolarHBondContact O-N 3.33Å; I470-Y494 HydrophobicContact CD1-CD2 4.33Å; I470-Y494 HydrophobicContact CD1-CE2 4.01Å; I470-Y494 HydrophobicContact CG1-CD2 4.5Å; I470-Y494 HydrophobicContact CG1-CE2 3.72Å; I470-A497 HydrophobicContact CD1-CB 3.71Å; I470-L498 HydrophobicContact CD1-CD2 4.4Å; I470-L498 HydrophobicContact CD1-CG 4.3Å; I470-L498 HydrophobicContact CG1-CD2 4.26Å; I470-L498 HydrophobicContact CG2-CD2 3.68Å; I470-R501 PolarHBondContact O-NH1 3.16Å; I470-L503 HydrophobicContact CG2-CD1 3.77Å
471G80.4Confident87.4Confident53 Ų5349.6 Ų49.655%0.54625%0.245SC..THydrogen-bonded Turntrans98.3-18.7-178.200000113.6T469T469-G471 PolarHBondContact O-N 2.81Å
472K82.5Confident87.3Confident115 Ų11549.1 Ų49.150%0.524%0.241SC..THydrogen-bonded Turntrans-110-46.1176.4-53.6-58.1-174.7165.50111.6N440 A443 T469N440-K472 VanDerWaalsContact OD1-CD 3.26Å; N440-K472 WeakPolarHBondContact OD1-CD 3.33Å; N440-K472 WeakPolarHBondContact OD1-CE 3.33Å; N440-K472 PolarHBondContact OD1-NZ 3.3Å; A443-K472 HydrophobicContact CB-CB 3.96Å; A443-K472 HydrophobicContact CB-CG 4.04Å; T469-K472 PolarHBondContact O-N 2.72Å; T469-K472 VanDerWaalsContact O-N 3.15Å
473L85.6Confident87Confident41 Ų4153.3 Ų53.322%0.21526%0.263CS..BIsolated β-bridgetrans-86.4138.2174.5-176.267.3000110.3W447 Y466 T469 A475 F477 V478W447-L473 VanDerWaalsContact CD1-CD2 3.45Å; W447-L473 HydrophobicContact CG-CD2 4.31Å; Y466-L473 HydrophobicContact CD1-CD2 3.98Å; Y466-L473 HydrophobicContact CE1-CD2 4.11Å; T469-L473 PolarHBondContact O-N 3.11Å; L473-A475 PolarHBondContact O-N 3.09Å; L473-F477 HydrophobicContact CD2-CD1 4.26Å; L473-V478 HydrophobicContact CD2-CG2 3.8Å
474E84.9Confident86.2Confident132 Ų13258.8 Ų58.862%0.61729%0.289SS*.  trans-64.2127.4174.7-166.6-170.1159.500111.1S476 F477E474-S476 PolarHBondContact O-N 3.47Å; E474-S476 WeakPolarHBondContact OE1-CB 3.45Å; E474-S476 PolarHBondContact OE1-OG 3.21Å; E474-F477 PolarHBondContact O-N 3.09Å
475A86.6Confident85.2Confident13 Ų1354.8 Ų54.811%0.10729%0.291CS..Hα-helixtrans-59.6-32.9-178.600000113.3L473 F477 V478 I479 Y494 L498L473-A475 PolarHBondContact O-N 3.09Å; A475-F477 PolarHBondContact O-N 3.33Å; A475-V478 PolarHBondContact O-N 2.84Å; A475-V478 VanDerWaalsContact O-N 3.11Å; A475-I479 HydrophobicContact CB-CD1 4.16Å; A475-I479 VanDerWaalsContact O-CG1 3.29Å; A475-I479 WeakPolarHBondContact O-CG1 3.22Å; A475-I479 PolarHBondContact O-N 3.32Å; A475-Y494 WeakPolarHBondContact CA-OH 3.31Å; A475-Y494 HydrophobicContact CB-CE1 4.19Å; A475-L498 HydrophobicContact CB-CD1 3.81Å; A475-L498 HydrophobicContact CB-CD2 4.35Å
476S86.4Confident84.8Confident56 Ų5657.9 Ų57.939%0.39232%0.315SS..Hα-helixtrans-52.6-40.4178-46.90000112.4E474 I479 Q480E474-S476 PolarHBondContact O-N 3.47Å; E474-S476 WeakPolarHBondContact OE1-CB 3.45Å; E474-S476 PolarHBondContact OE1-OG 3.21Å; S476-I479 PolarHBondContact O-N 3.27Å; S476-Q480 WeakPolarHBondContact O-CB 3.49Å; S476-Q480 PolarHBondContact O-N 3.4Å
477F87.1Confident84.5Confident66 Ų6658.7 Ų58.729%0.28932%0.319SS..Hα-helixtrans-63.6-44.9-179.8179.9-92000111.8W447 Y466 L473 E474 A475W447-F477 HydrophobicContact CZ2-CE1 4.48Å; W447-F477 HydrophobicContact CZ2-CZ 4.16Å; W447-F477 AromaticContact NE1-CD1 3.84Å; W447-F477 AromaticContact NE1-CE1 3.3Å; W447-F477 VanDerWaalsContact NE1-CE1 3.3Å; W447-F477 AromaticContact NE1-CZ 3.84Å; Y466-F477 HydrophobicContact CE1-CE1 4.37Å; L473-F477 HydrophobicContact CD2-CD1 4.26Å; E474-F477 PolarHBondContact O-N 3.09Å; A475-F477 PolarHBondContact O-N 3.33Å
478V87.2Confident84.3Confident0 Ų058.5 Ų58.50%032%0.318CS..Hα-helixtrans-69.9-46.7179.4-176.30000109.7I463 Y466 L473 A475 Q480 R481 F482 Y494I463-V478 HydrophobicContact CD1-CG1 3.89Å; Y466-V478 HydrophobicContact CD1-CG2 3.66Å; Y466-V478 HydrophobicContact CD2-CG1 4.27Å; Y466-V478 HydrophobicContact CE1-CG2 4.11Å; Y466-V478 HydrophobicContact CG-CG1 4.12Å; Y466-V478 HydrophobicContact CG-CG2 4.03Å; L473-V478 HydrophobicContact CD2-CG2 3.8Å; A475-V478 PolarHBondContact O-N 2.84Å; A475-V478 VanDerWaalsContact O-N 3.11Å; V478-Q480 VanDerWaalsContact C-N 3.33Å; V478-Q480 PolarHBondContact O-N 3.31Å; V478-R481 PolarHBondContact O-N 3.07Å; V478-R481 VanDerWaalsContact O-N 3.16Å; V478-F482 HydrophobicContact CG1-CD2 3.88Å; V478-F482 HydrophobicContact CG1-CE2 4.08Å; V478-F482 WeakPolarHBondContact O-CD2 3.46Å; V478-F482 PolarHBondContact O-N 3.46Å; V478-Y494 HydrophobicContact CB-CD1 4.32Å; V478-Y494 HydrophobicContact CB-CE1 3.76Å; V478-Y494 HydrophobicContact CB-CE2 4.12Å; V478-Y494 HydrophobicContact CG1-CD1 3.95Å; V478-Y494 HydrophobicContact CG1-CD2 3.9Å; V478-Y494 HydrophobicContact CG1-CE1 3.88Å; V478-Y494 HydrophobicContact CG1-CE2 3.85Å; V478-Y494 HydrophobicContact CG1-CG 3.97Å; V478-Y494 HydrophobicContact CG2-CE1 4.43Å; V478-Y494 HydrophobicContact CG2-CE2 4.11Å
479I87.3Confident84.4Confident17 Ų1758.7 Ų58.79%0.08732%0.323CS..Hα-helixtrans-57.7-45.6-179.2-67.3167000110.9A475 S476 R481 F482 L483 L491 Y494 L495 H508 L511A475-I479 HydrophobicContact CB-CD1 4.16Å; A475-I479 VanDerWaalsContact O-CG1 3.29Å; A475-I479 WeakPolarHBondContact O-CG1 3.22Å; A475-I479 PolarHBondContact O-N 3.32Å; S476-I479 PolarHBondContact O-N 3.27Å; I479-R481 VanDerWaalsContact C-N 3.28Å; I479-R481 PolarHBondContact O-N 2.79Å; I479-F482 CarbonylContact O-C 3.51Å; I479-F482 PolarHBondContact O-N 3.36Å; I479-L483 WeakPolarHBondContact O-CB 3.49Å; I479-L483 PolarHBondContact O-N 3.02Å; I479-L491 HydrophobicContact CB-CD1 4.31Å; I479-L491 HydrophobicContact CG1-CD1 4.05Å; I479-L491 HydrophobicContact CG2-CD1 4.17Å; I479-Y494 HydrophobicContact CG1-CD1 4.31Å; I479-Y494 HydrophobicContact CG1-CE1 4.16Å; I479-L495 HydrophobicContact CD1-CD2 3.95Å; I479-L495 HydrophobicContact CG1-CD2 4.32Å; I479-H508 VanDerWaalsContact CD1-CD2 3.48Å; I479-H508 WeakPolarHBondContact CD1-CD2 3.33Å; I479-L511 HydrophobicContact CG2-CD2 3.54Å
480Q86.1Confident84.4Confident150 Ų15059.7 Ų59.770%0.70133%0.327SS*.Hα-helixtrans-60.2-35.6-179.5-172.7179.58.900112.9S476 V478S476-Q480 WeakPolarHBondContact O-CB 3.49Å; S476-Q480 PolarHBondContact O-N 3.4Å; V478-Q480 VanDerWaalsContact C-N 3.33Å; V478-Q480 PolarHBondContact O-N 3.31Å
481R84.8Confident84.6Confident76 Ų7659.2 Ų59.229%0.28733%0.325SS..Hα-helixtrans-72.9-39.7178.6-64.9-165.478.482.32.7112.5Y454 V478 I479Y454-R481 HydrophobicContact CE2-CB 3.83Å; Y454-R481 PolarHBondContact OH-O 3Å; V478-R481 PolarHBondContact O-N 3.07Å; V478-R481 VanDerWaalsContact O-N 3.16Å; I479-R481 VanDerWaalsContact C-N 3.28Å; I479-R481 PolarHBondContact O-N 2.79Å
482F88Confident85.1Confident0 Ų056.8 Ų56.80%030%0.3CS..Hα-helixtrans-92.76.4-178.3-68.1-89.5000113.6Y454 Y459 I463 Y466 V478 I479 E484 H487 Q490 L491Y454-F482 HydrophobicContact CD2-CE1 4.22Å; Y454-F482 AromaticContact CD2-CE2 3.95Å; Y454-F482 HydrophobicContact CD2-CE2 3.95Å; Y454-F482 AromaticContact CD2-CZ 3.66Å; Y454-F482 HydrophobicContact CD2-CZ 3.66Å; Y454-F482 HydrophobicContact CE2-CD1 4.48Å; Y454-F482 HydrophobicContact CE2-CD2 4.42Å; Y454-F482 HydrophobicContact CE2-CE1 4.14Å; Y454-F482 HydrophobicContact CE2-CE2 4.06Å; Y454-F482 AromaticContact CE2-CZ 3.92Å; Y454-F482 HydrophobicContact CE2-CZ 3.92Å; Y459-F482 HydrophobicContact CD1-CE1 4.07Å; I463-F482 HydrophobicContact CB-CZ 4.32Å; I463-F482 HydrophobicContact CD1-CD2 3.94Å; I463-F482 HydrophobicContact CD1-CE1 4.32Å; I463-F482 HydrophobicContact CD1-CE2 3.69Å; I463-F482 HydrophobicContact CD1-CG 4.38Å; I463-F482 HydrophobicContact CD1-CZ 3.89Å; Y466-F482 AromaticContact CD2-CE2 3.8Å; Y466-F482 HydrophobicContact CD2-CE2 3.8Å; Y466-F482 HydrophobicContact CD2-CZ 4.23Å; Y466-F482 AromaticContact CE2-CE2 3.79Å; Y466-F482 HydrophobicContact CE2-CE2 3.79Å; Y466-F482 HydrophobicContact CE2-CZ 4.26Å; V478-F482 HydrophobicContact CG1-CD2 3.88Å; V478-F482 HydrophobicContact CG1-CE2 4.08Å; V478-F482 WeakPolarHBondContact O-CD2 3.46Å; V478-F482 PolarHBondContact O-N 3.46Å; I479-F482 CarbonylContact O-C 3.51Å; I479-F482 PolarHBondContact O-N 3.36Å; F482-E484 VanDerWaalsContact C-N 3.26Å; F482-E484 PolarHBondContact O-N 3.46Å; F482-H487 HydrophobicContact CB-CB 4.43Å; F482-H487 HydrophobicContact CD1-CB 3.99Å; F482-Q490 HydrophobicContact CD1-CB 3.85Å; F482-Q490 HydrophobicContact CE1-CB 4.05Å; F482-Q490 HydrophobicContact CE1-CG 4.5Å; F482-L491 HydrophobicContact CB-CB 4.18Å; F482-L491 HydrophobicContact CB-CD1 4.45Å
483L84.1Confident85.5Confident88 Ų8854.1 Ų54.146%0.46129%0.293SS..THydrogen-bonded Turntrans-69.9-23.2179.4-167.564.7000112.9I479 G485 L491 L511I479-L483 WeakPolarHBondContact O-CB 3.49Å; I479-L483 PolarHBondContact O-N 3.02Å; L483-G485 PolarHBondContact O-N 2.88Å; L483-L491 HydrophobicContact CD1-CD2 4.4Å; L483-L511 HydrophobicContact CD1-CD1 4.33Å
484E74.8Confident85.8Confident119 Ų11952.2 Ų52.256%0.55628%0.283SS*.SBendtrans-54.3133.3175.5-67.5180-164.400110.5F482 S486 H487F482-E484 VanDerWaalsContact C-N 3.26Å; F482-E484 PolarHBondContact O-N 3.46Å; E484-S486 PolarHBondContact O-N 2.94Å; E484-H487 PolarHBondContact O-N 3.01Å
485G69.9Low86.1Confident56 Ų5646 Ų4658%0.57725%0.254SS*.G310 helixtrans-59.8-15.4-166.600000116L483 H487 I488L483-G485 PolarHBondContact O-N 2.88Å; G485-H487 VanDerWaalsContact C-N 3.33Å; G485-I488 WeakPolarHBondContact O-CD1 3.47Å; G485-I488 WeakPolarHBondContact O-CG1 3.39Å
486S80.9Confident86.2Confident89 Ų8947.4 Ų47.462%0.62226%0.258SS*.G310 helixtrans-74-18.5174.345.40000114.1E484E484-S486 PolarHBondContact O-N 2.94Å
487H86.1Confident86.4Confident17 Ų1745.3 Ų45.38%0.07924%0.244CC..G310 helixtrans-113.825.7-169-56.9-54.9000114.4Y459 F482 E484 G485 I489 Q490 L491Y459-H487 AromaticContact CD1-CE1 3.97Å; Y459-H487 AromaticContact CD2-CE1 3.41Å; Y459-H487 VanDerWaalsContact CD2-CE1 3.41Å; Y459-H487 WeakPolarHBondContact CD2-CE1 3.49Å; Y459-H487 AromaticContact CD2-ND1 3.95Å; Y459-H487 AromaticContact CE1-CE1 3.92Å; Y459-H487 AromaticContact CE1-NE2 3.85Å; Y459-H487 AromaticContact CE2-CE1 3.36Å; Y459-H487 WeakPolarHBondContact CE2-CE1 3.5Å; Y459-H487 AromaticContact CE2-NE2 3.88Å; Y459-H487 AromaticContact CG-CE1 3.71Å; Y459-H487 AromaticContact CG-ND1 3.94Å; Y459-H487 AromaticContact CZ-CE1 3.61Å; Y459-H487 AromaticContact CZ-NE2 3.65Å; F482-H487 HydrophobicContact CB-CB 4.43Å; F482-H487 HydrophobicContact CD1-CB 3.99Å; E484-H487 PolarHBondContact O-N 3.01Å; G485-H487 VanDerWaalsContact C-N 3.33Å; H487-I489 PolarHBondContact O-N 3.32Å; H487-Q490 PolarHBondContact O-N 3.36Å; H487-Q490 PolarHBondContact O-OE1 2.68Å; H487-L491 PolarHBondContact O-N 3.12Å
488I86.7Confident86.4Confident27 Ų2742.4 Ų42.414%0.13823%0.232CC..Hα-helixtrans-58.7-36.5-178-60.1167000111.3G485 T492 C515 R518 L519G485-I488 WeakPolarHBondContact O-CD1 3.47Å; G485-I488 WeakPolarHBondContact O-CG1 3.39Å; I488-T492 WeakPolarHBondContact O-CB 3.16Å; I488-T492 PolarHBondContact O-N 2.94Å; I488-T492 PolarHBondContact O-OG1 3.4Å; I488-C515 HydrophobicContact CG2-CB 4.02Å; I488-R518 HydrophobicContact CD1-CB 4.27Å; I488-L519 HydrophobicContact CB-CD2 4.4Å; I488-L519 HydrophobicContact CG2-CD1 4.2Å; I488-L519 HydrophobicContact CG2-CD2 3.92Å; I488-L519 HydrophobicContact CG2-CG 3.8Å
489I89.2Confident86.4Confident105 Ų10545.7 Ų45.754%0.53825%0.246SC..Hα-helixtrans-64-49.9179.4-59.5171.9000110.4H487 L491 T492 T493 L519H487-I489 PolarHBondContact O-N 3.32Å; I489-L491 PolarHBondContact O-N 3.31Å; I489-T492 WeakPolarHBondContact O-CB 3.25Å; I489-T492 PolarHBondContact O-N 2.97Å; I489-T493 PolarHBondContact O-N 3.17Å; I489-T493 PolarHBondContact O-OG1 2.98Å; I489-T493 VanDerWaalsContact O-OG1 3.11Å; I489-L519 HydrophobicContact CG1-CD2 3.92Å
490Q88.3Confident86.3Confident22 Ų2252.5 Ų52.510%0.10328%0.278CS..Hα-helixtrans-64.6-42.1179.8-66.675.722.700111.4D460 I463 F482 H487 T492 T493 Y494D460-Q490 PolarHBondContact OD1-NE2 3.24Å; I463-Q490 HydrophobicContact CB-CB 4.29Å; I463-Q490 HydrophobicContact CG1-CB 4.27Å; I463-Q490 WeakPolarHBondContact CG1-O 3.34Å; I463-Q490 HydrophobicContact CG2-CB 4.25Å; I463-Q490 HydrophobicContact CG2-CG 4.23Å; F482-Q490 HydrophobicContact CD1-CB 3.85Å; F482-Q490 HydrophobicContact CE1-CB 4.05Å; F482-Q490 HydrophobicContact CE1-CG 4.5Å; H487-Q490 PolarHBondContact O-N 3.36Å; H487-Q490 PolarHBondContact O-OE1 2.68Å; Q490-T492 VanDerWaalsContact C-N 3.28Å; Q490-T492 PolarHBondContact O-N 3.22Å; Q490-T493 PolarHBondContact O-N 3.36Å; Q490-Y494 PolarHBondContact O-N 3.44Å; Q490-Y494 VanDerWaalsContact O-N 3.07Å
491L91Very high86.3Confident1 Ų151.1 Ų51.11%0.00527%0.266CS..Hα-helixtrans-59.4-41174.4179.660000111.6I479 F482 L483 H487 I489 Y494 L495 L511I479-L491 HydrophobicContact CB-CD1 4.31Å; I479-L491 HydrophobicContact CG1-CD1 4.05Å; I479-L491 HydrophobicContact CG2-CD1 4.17Å; F482-L491 HydrophobicContact CB-CB 4.18Å; F482-L491 HydrophobicContact CB-CD1 4.45Å; L483-L491 HydrophobicContact CD1-CD2 4.4Å; H487-L491 PolarHBondContact O-N 3.12Å; I489-L491 PolarHBondContact O-N 3.31Å; L491-Y494 PolarHBondContact O-N 2.87Å; L491-L495 HydrophobicContact CD1-CD1 4.06Å; L491-L495 HydrophobicContact CD1-CG 4.19Å; L491-L495 HydrophobicContact CG-CD1 3.94Å; L491-L495 HydrophobicContact CG-CG 4.47Å; L491-L495 WeakPolarHBondContact O-CB 3.39Å; L491-L495 WeakPolarHBondContact O-CG 3.34Å; L491-L495 PolarHBondContact O-N 2.72Å; L491-L511 HydrophobicContact CD2-CD2 4.36Å
492T89.8Confident86.1Confident3 Ų354.1 Ų54.12%0.01829%0.288CS..Hα-helixtrans-60.7-48.6176.4-57.10000110.8I488 I489 Q490 Y494 L495 E496 L512 C515 Y516 L519I488-T492 WeakPolarHBondContact O-CB 3.16Å; I488-T492 PolarHBondContact O-N 2.94Å; I488-T492 PolarHBondContact O-OG1 3.4Å; I489-T492 WeakPolarHBondContact O-CB 3.25Å; I489-T492 PolarHBondContact O-N 2.97Å; Q490-T492 VanDerWaalsContact C-N 3.28Å; Q490-T492 PolarHBondContact O-N 3.22Å; T492-Y494 VanDerWaalsContact C-N 3.28Å; T492-Y494 PolarHBondContact O-N 3.37Å; T492-L495 PolarHBondContact O-N 2.87Å; T492-E496 HydrophobicContact CG2-CG 4.37Å; T492-E496 WeakPolarHBondContact O-CB 3.32Å; T492-E496 WeakPolarHBondContact O-CG 3.27Å; T492-E496 PolarHBondContact O-N 3.31Å; T492-L512 HydrophobicContact CG2-CD1 3.97Å; T492-C515 WeakPolarHBondContact OG1-CB 3.3Å; T492-Y516 HydrophobicContact CG2-CD1 3.96Å; T492-Y516 HydrophobicContact CG2-CE1 3.46Å; T492-Y516 VanDerWaalsContact CG2-CE1 3.46Å; T492-L519 HydrophobicContact CG2-CD1 4.21Å; T492-L519 WeakPolarHBondContact OG1-CD1 3.47Å
493T90.8Very high85.8Confident58 Ų5858.6 Ų58.636%0.35631%0.311SS..Hα-helixtrans-59.1-38.8178.1-49.80000112.4I467 I489 Q490 A497I467-T493 HydrophobicContact CD1-CG2 4.01Å; I489-T493 PolarHBondContact O-N 3.17Å; I489-T493 PolarHBondContact O-OG1 2.98Å; I489-T493 VanDerWaalsContact O-OG1 3.11Å; Q490-T493 PolarHBondContact O-N 3.36Å; T493-A497 PolarHBondContact O-N 3.24Å; T493-A497 VanDerWaalsContact O-N 3.09Å
494Y92.2Very high85.7Confident1 Ų154.8 Ų54.80%0.00429%0.292CS..Hα-helixtrans-68.7-43.2177.1-178.9-103.3000112.7I463 I467 I470 A475 V478 I479 Q490 L491 T492 A497 L498I463-Y494 HydrophobicContact CD1-CD2 4.07Å; I463-Y494 HydrophobicContact CD1-CG 4.08Å; I467-Y494 HydrophobicContact CG1-CD2 4.08Å; I470-Y494 HydrophobicContact CD1-CD2 4.33Å; I470-Y494 HydrophobicContact CD1-CE2 4.01Å; I470-Y494 HydrophobicContact CG1-CD2 4.5Å; I470-Y494 HydrophobicContact CG1-CE2 3.72Å; A475-Y494 WeakPolarHBondContact CA-OH 3.31Å; A475-Y494 HydrophobicContact CB-CE1 4.19Å; V478-Y494 HydrophobicContact CB-CD1 4.32Å; V478-Y494 HydrophobicContact CB-CE1 3.76Å; V478-Y494 HydrophobicContact CB-CE2 4.12Å; V478-Y494 HydrophobicContact CG1-CD1 3.95Å; V478-Y494 HydrophobicContact CG1-CD2 3.9Å; V478-Y494 HydrophobicContact CG1-CE1 3.88Å; V478-Y494 HydrophobicContact CG1-CE2 3.85Å; V478-Y494 HydrophobicContact CG1-CG 3.97Å; V478-Y494 HydrophobicContact CG2-CE1 4.43Å; V478-Y494 HydrophobicContact CG2-CE2 4.11Å; I479-Y494 HydrophobicContact CG1-CD1 4.31Å; I479-Y494 HydrophobicContact CG1-CE1 4.16Å; Q490-Y494 PolarHBondContact O-N 3.44Å; Q490-Y494 VanDerWaalsContact O-N 3.07Å; L491-Y494 PolarHBondContact O-N 2.87Å; T492-Y494 VanDerWaalsContact C-N 3.28Å; T492-Y494 PolarHBondContact O-N 3.37Å; Y494-A497 PolarHBondContact O-N 3.44Å; Y494-L498 HydrophobicContact CD1-CD1 3.79Å; Y494-L498 HydrophobicContact CD1-CG 4.5Å; Y494-L498 HydrophobicContact CE1-CD1 3.34Å; Y494-L498 HydrophobicContact CE1-CG 4.11Å; Y494-L498 PolarHBondContact O-N 3.45Å
495L90.4Very high86.2Confident1 Ų151.9 Ų51.91%0.00528%0.282CS..Hα-helixtrans-68.1-34.2177.2-70.6172.3000112.2I479 L491 T492 L498 K499 H508 L511 L512I479-L495 HydrophobicContact CD1-CD2 3.95Å; I479-L495 HydrophobicContact CG1-CD2 4.32Å; L491-L495 HydrophobicContact CD1-CD1 4.06Å; L491-L495 HydrophobicContact CD1-CG 4.19Å; L491-L495 HydrophobicContact CG-CD1 3.94Å; L491-L495 HydrophobicContact CG-CG 4.47Å; L491-L495 WeakPolarHBondContact O-CB 3.39Å; L491-L495 WeakPolarHBondContact O-CG 3.34Å; L491-L495 PolarHBondContact O-N 2.72Å; T492-L495 PolarHBondContact O-N 2.87Å; L495-L498 HydrophobicContact CD2-CD1 4.13Å; L495-L498 WeakPolarHBondContact O-CB 3.44Å; L495-L498 PolarHBondContact O-N 2.65Å; L495-K499 PolarHBondContact O-N 3.19Å; L495-H508 HydrophobicContact CD2-CB 4.03Å; L495-L511 HydrophobicContact CD1-CB 4.31Å; L495-L511 HydrophobicContact CD1-CD2 4.11Å; L495-L511 HydrophobicContact CD1-CG 3.94Å; L495-L512 HydrophobicContact CB-CB 4.16Å; L495-L512 HydrophobicContact CB-CD1 3.85Å; L495-L512 HydrophobicContact CB-CG 4.4Å; L495-L512 HydrophobicContact CD1-CB 4.12Å
496E89.8Confident86.9Confident43 Ų4350.4 Ų50.420%0.20126%0.263CS..Hα-helixtrans-61.3-48.3170.8-76.3176.4168.300111T492 L498 K499 E500 L512 Y516 K524T492-E496 HydrophobicContact CG2-CG 4.37Å; T492-E496 WeakPolarHBondContact O-CB 3.32Å; T492-E496 WeakPolarHBondContact O-CG 3.27Å; T492-E496 PolarHBondContact O-N 3.31Å; E496-L498 VanDerWaalsContact C-N 3.27Å; E496-L498 PolarHBondContact O-N 3.22Å; E496-K499 WeakPolarHBondContact O-CB 3.36Å; E496-K499 PolarHBondContact O-N 3.49Å; E496-K499 VanDerWaalsContact O-N 3.12Å; E496-E500 WeakPolarHBondContact O-CG 3.22Å; E496-E500 PolarHBondContact O-N 3.24Å; E496-L512 HydrophobicContact CG-CD1 4.2Å; E496-Y516 WeakPolarHBondContact CG-OH 3.44Å; E496-Y516 VanDerWaalsContact OE1-CE1 3.31Å; E496-Y516 WeakPolarHBondContact OE1-CE1 3.36Å; E496-Y516 PolarHBondContact OE1-OH 2.86Å; E496-K524 IonicContact OE1-NZ 3.03Å; E496-K524 PolarHBondContact OE1-NZ 3.48Å; E496-K524 IonicContact OE2-NZ 3.55Å
497A89Confident87.2Confident12 Ų1251.7 Ų51.710%0.09926%0.263CS..Hα-helixtrans-62.1-33.3175.800000112.9I467 I470 T493 Y494 R501I467-A497 HydrophobicContact CD1-CB 4.24Å; I467-A497 HydrophobicContact CG1-CB 4.02Å; I467-A497 HydrophobicContact CG2-CB 3.93Å; I470-A497 HydrophobicContact CD1-CB 3.71Å; T493-A497 PolarHBondContact O-N 3.24Å; T493-A497 VanDerWaalsContact O-N 3.09Å; Y494-A497 PolarHBondContact O-N 3.44Å; A497-R501 WeakPolarHBondContact O-CG 3.35Å; A497-R501 PolarHBondContact O-N 2.9Å
498L88.6Confident87.4Confident6 Ų652.1 Ų52.13%0.03127%0.265CS..Hα-helixtrans-67.9-40.4173-81.4169.7000112.6I470 A475 Y494 L495 E496 R501 N502 L503I470-L498 HydrophobicContact CD1-CD2 4.4Å; I470-L498 HydrophobicContact CD1-CG 4.3Å; I470-L498 HydrophobicContact CG1-CD2 4.26Å; I470-L498 HydrophobicContact CG2-CD2 3.68Å; A475-L498 HydrophobicContact CB-CD1 3.81Å; A475-L498 HydrophobicContact CB-CD2 4.35Å; Y494-L498 HydrophobicContact CD1-CD1 3.79Å; Y494-L498 HydrophobicContact CD1-CG 4.5Å; Y494-L498 HydrophobicContact CE1-CD1 3.34Å; Y494-L498 HydrophobicContact CE1-CG 4.11Å; Y494-L498 PolarHBondContact O-N 3.45Å; L495-L498 HydrophobicContact CD2-CD1 4.13Å; L495-L498 WeakPolarHBondContact O-CB 3.44Å; L495-L498 PolarHBondContact O-N 2.65Å; E496-L498 VanDerWaalsContact C-N 3.27Å; E496-L498 PolarHBondContact O-N 3.22Å; L498-R501 PolarHBondContact O-N 3.47Å; L498-N502 PolarHBondContact O-N 3.47Å; L498-L503 HydrophobicContact CD2-CB 4.32Å; L498-L503 PolarHBondContact O-N 2.98Å
499K86.3Confident87.4Confident68 Ų6851 Ų5130%0.29626%0.259SS..Hα-helixtrans-64.3-46.9176.5179.4-178.9173.7-179.60111.1L495 E496 R501 N502 L509 L512L495-K499 PolarHBondContact O-N 3.19Å; E496-K499 WeakPolarHBondContact O-CB 3.36Å; E496-K499 PolarHBondContact O-N 3.49Å; E496-K499 VanDerWaalsContact O-N 3.12Å; K499-R501 PolarHBondContact O-N 2.99Å; K499-N502 PolarHBondContact O-N 3.04Å; K499-L509 HydrophobicContact CB-CD2 4.5Å; K499-L509 HydrophobicContact CD-CD2 4.25Å; K499-L509 HydrophobicContact CG-CD2 4.23Å; K499-L512 HydrophobicContact CD-CD2 4.14Å
500E86.5Confident87.4Confident161 Ų16147.1 Ų47.175%0.75224%0.239SC*.Hα-helixtrans-61.1-32.4179.6-72.4179.7172.800113E496 N502E496-E500 WeakPolarHBondContact O-CG 3.22Å; E496-E500 PolarHBondContact O-N 3.24Å; E500-N502 VanDerWaalsContact C-N 3.31Å
501R84.9Confident87.4Confident121 Ų12147.8 Ų47.846%0.45724%0.243SC..THydrogen-bonded Turntrans-85.62.8176.1-65.8-174.4-173.2-172.18.8114.1I467 I470 A497 L498 K499 L503I467-R501 PolarHBondContact O-NH1 3.39Å; I467-R501 PolarHBondContact O-NH2 2.96Å; I470-R501 PolarHBondContact O-NH1 3.16Å; A497-R501 WeakPolarHBondContact O-CG 3.35Å; A497-R501 PolarHBondContact O-N 2.9Å; L498-R501 PolarHBondContact O-N 3.47Å; K499-R501 PolarHBondContact O-N 2.99Å; R501-L503 HydrophobicContact CB-CD1 4.35Å; R501-L503 PolarHBondContact O-N 2.96Å
502N81.5Confident87.4Confident138 Ų13847.8 Ų47.874%0.73824%0.243SC*.THydrogen-bonded Turntrans56.426.8-177.4-62.6-44000114.9L498 K499 E500L498-N502 PolarHBondContact O-N 3.47Å; K499-N502 PolarHBondContact O-N 3.04Å; E500-N502 VanDerWaalsContact C-N 3.31Å
503L81.1Confident87.2Confident95 Ų9547.7 Ų47.750%0.49724%0.243SC..  trans-101.49.3176.2-67.9169000112.3I470 L498 R501I470-L503 HydrophobicContact CG2-CD1 3.77Å; L498-L503 HydrophobicContact CD2-CB 4.32Å; L498-L503 PolarHBondContact O-N 2.98Å; R501-L503 HydrophobicContact CB-CD1 4.35Å; R501-L503 PolarHBondContact O-N 2.96Å
504S82.3Confident87.1Confident7 Ų747.8 Ų47.85%0.04924%0.241CC..  trans-80.4129.1-178-169.80000111.3H508 L509S504-H508 VanDerWaalsContact OG-CB 3.24Å; S504-H508 WeakPolarHBondContact OG-CB 3.3Å; S504-L509 WeakPolarHBondContact OG-CD2 3.42Å; S504-L509 WeakPolarHBondContact OG-CG 3.34Å
505T85.8Confident86.9Confident58 Ų5847.7 Ų47.736%0.35624%0.241SC..  trans-79.8169.6169.664.10000110.5D507 H508 L509T505-D507 VanDerWaalsContact C-N 3.27Å; T505-D507 PolarHBondContact O-N 3Å; T505-H508 PolarHBondContact N-ND1 2.92Å; T505-H508 PolarHBondContact O-N 3.21Å; T505-H508 PolarHBondContact OG1-CD2 3.48Å; T505-H508 PolarHBondContact OG1-CE1 3.16Å; T505-H508 PolarHBondContact OG1-N 3.25Å; T505-H508 PolarHBondContact OG1-ND1 3.35Å; T505-L509 WeakPolarHBondContact O-CG 3.43Å; T505-L509 PolarHBondContact O-N 3.28Å; T505-L509 VanDerWaalsContact O-N 3.14Å
506S83.6Confident86.9Confident25 Ų2548.3 Ų48.318%0.17524%0.243CC..Hα-helixtrans-50.4-49.2170.4-172.10000111.7H508 L509 I510 M536 D538S506-H508 VanDerWaalsContact C-N 3.32Å; S506-H508 PolarHBondContact O-N 3.13Å; S506-L509 WeakPolarHBondContact O-CB 3.48Å; S506-L509 PolarHBondContact O-N 3.12Å; S506-I510 WeakPolarHBondContact O-CG1 3.37Å; S506-I510 PolarHBondContact O-N 3.36Å; S506-M536 WeakPolarHBondContact CB-O 3.38Å; S506-M536 PolarHBondContact OG-O 3.2Å; S506-D538 WeakPolarHBondContact OG-CB 3.49Å; S506-D538 PolarHBondContact OG-N 3.19Å
507D87.3Confident86.9Confident117 Ų11746.8 Ų46.863%0.62624%0.237SC*.Hα-helixtrans-63.6-37.8-176.7-58.9-29.6000112T505 L509 I510 L511T505-D507 VanDerWaalsContact C-N 3.27Å; T505-D507 PolarHBondContact O-N 3Å; D507-L509 VanDerWaalsContact C-N 3.33Å; D507-L509 PolarHBondContact O-N 3.49Å; D507-I510 PolarHBondContact O-N 3.21Å; D507-L511 WeakPolarHBondContact O-CB 3.24Å; D507-L511 PolarHBondContact O-N 3.48Å
508H89.6Confident86.8Confident26 Ų2651.2 Ų51.212%0.1225%0.251CS..Hα-helixtrans-64-39174.5-63.9160.2000111.7I479 L495 S504 T505 S506 L511 L512I479-H508 VanDerWaalsContact CD1-CD2 3.48Å; I479-H508 WeakPolarHBondContact CD1-CD2 3.33Å; L495-H508 HydrophobicContact CD2-CB 4.03Å; S504-H508 VanDerWaalsContact OG-CB 3.24Å; S504-H508 WeakPolarHBondContact OG-CB 3.3Å; T505-H508 PolarHBondContact N-ND1 2.92Å; T505-H508 PolarHBondContact O-N 3.21Å; T505-H508 PolarHBondContact OG1-CD2 3.48Å; T505-H508 PolarHBondContact OG1-CE1 3.16Å; T505-H508 PolarHBondContact OG1-N 3.25Å; T505-H508 PolarHBondContact OG1-ND1 3.35Å; S506-H508 VanDerWaalsContact C-N 3.32Å; S506-H508 PolarHBondContact O-N 3.13Å; H508-L511 PolarHBondContact O-N 3.11Å; H508-L512 VanDerWaalsContact O-CB 3.3Å; H508-L512 WeakPolarHBondContact O-CB 3.48Å; H508-L512 PolarHBondContact O-N 3.4Å
509L88.2Confident86.7Confident2 Ų254 Ų541%0.0127%0.266CS..Hα-helixtrans-69.9-37.9177.2-63.9174.4000111.8K499 S504 T505 S506 D507 L512 L513 F528 N534 L537K499-L509 HydrophobicContact CB-CD2 4.5Å; K499-L509 HydrophobicContact CD-CD2 4.25Å; K499-L509 HydrophobicContact CG-CD2 4.23Å; S504-L509 WeakPolarHBondContact OG-CD2 3.42Å; S504-L509 WeakPolarHBondContact OG-CG 3.34Å; T505-L509 WeakPolarHBondContact O-CG 3.43Å; T505-L509 PolarHBondContact O-N 3.28Å; T505-L509 VanDerWaalsContact O-N 3.14Å; S506-L509 WeakPolarHBondContact O-CB 3.48Å; S506-L509 PolarHBondContact O-N 3.12Å; D507-L509 VanDerWaalsContact C-N 3.33Å; D507-L509 PolarHBondContact O-N 3.49Å; L509-L512 WeakPolarHBondContact O-CB 3.36Å; L509-L512 PolarHBondContact O-N 2.64Å; L509-L513 WeakPolarHBondContact O-CB 3.18Å; L509-L513 PolarHBondContact O-N 3.37Å; L509-F528 HydrophobicContact CB-CZ 4.25Å; L509-F528 HydrophobicContact CD2-CE2 4.39Å; L509-N534 HydrophobicContact CD1-CB 3.97Å; L509-L537 HydrophobicContact CB-CD1 3.8Å; L509-L537 HydrophobicContact CD1-CB 4.25Å; L509-L537 HydrophobicContact CD1-CD1 4.35Å
510I88.4Confident86.7Confident25 Ų2557.6 Ų57.613%0.12828%0.283CS..Hα-helixtrans-66.4-43.1174.7-64.5160.2000110.1S506 D507 L512 L513 N514 L537 D538 V545S506-I510 WeakPolarHBondContact O-CG1 3.37Å; S506-I510 PolarHBondContact O-N 3.36Å; D507-I510 PolarHBondContact O-N 3.21Å; I510-L512 VanDerWaalsContact C-N 3.32Å; I510-L512 PolarHBondContact O-N 3.5Å; I510-L513 PolarHBondContact O-N 2.81Å; I510-N514 WeakPolarHBondContact O-CB 3.29Å; I510-N514 PolarHBondContact O-N 2.87Å; I510-L537 HydrophobicContact CG1-CD1 4.21Å; I510-D538 HydrophobicContact CD1-CB 4.24Å; I510-V545 HydrophobicContact CG2-CG2 4.02Å
511L88.3Confident86.8Confident36 Ų3652.1 Ų52.119%0.18826%0.259CS..Hα-helixtrans-63.3-40.2175.6-176.760.6000111.2I479 L483 L491 L495 D507 H508 N514 C515I479-L511 HydrophobicContact CG2-CD2 3.54Å; L483-L511 HydrophobicContact CD1-CD1 4.33Å; L491-L511 HydrophobicContact CD2-CD2 4.36Å; L495-L511 HydrophobicContact CD1-CB 4.31Å; L495-L511 HydrophobicContact CD1-CD2 4.11Å; L495-L511 HydrophobicContact CD1-CG 3.94Å; D507-L511 WeakPolarHBondContact O-CB 3.24Å; D507-L511 PolarHBondContact O-N 3.48Å; H508-L511 PolarHBondContact O-N 3.11Å; L511-N514 PolarHBondContact O-N 3.32Å; L511-C515 PolarHBondContact O-N 3.09Å; L511-C515 PolarHBondContact O-SG 3.21Å
512L90.2Very high86.9Confident1 Ų149.8 Ų49.81%0.00526%0.258CS..Hα-helixtrans-61-45.5173.9178.458.7000111T492 L495 E496 K499 H508 L509 I510 N514 C515 Y516T492-L512 HydrophobicContact CG2-CD1 3.97Å; L495-L512 HydrophobicContact CB-CB 4.16Å; L495-L512 HydrophobicContact CB-CD1 3.85Å; L495-L512 HydrophobicContact CB-CG 4.4Å; L495-L512 HydrophobicContact CD1-CB 4.12Å; E496-L512 HydrophobicContact CG-CD1 4.2Å; K499-L512 HydrophobicContact CD-CD2 4.14Å; H508-L512 VanDerWaalsContact O-CB 3.3Å; H508-L512 WeakPolarHBondContact O-CB 3.48Å; H508-L512 PolarHBondContact O-N 3.4Å; L509-L512 WeakPolarHBondContact O-CB 3.36Å; L509-L512 PolarHBondContact O-N 2.64Å; I510-L512 VanDerWaalsContact C-N 3.32Å; I510-L512 PolarHBondContact O-N 3.5Å; L512-N514 VanDerWaalsContact C-N 3.35Å; L512-N514 PolarHBondContact O-N 3.14Å; L512-C515 WeakPolarHBondContact O-CA 3.46Å; L512-C515 WeakPolarHBondContact O-CB 3.23Å; L512-C515 PolarHBondContact O-N 3.32Å; L512-C515 VanDerWaalsContact O-N 3.13Å; L512-Y516 HydrophobicContact CD1-CD1 4.33Å; L512-Y516 HydrophobicContact CD1-CE1 3.71Å; L512-Y516 HydrophobicContact CD1-CE2 3.92Å; L512-Y516 VanDerWaalsContact CD1-CZ 3.49Å; L512-Y516 HydrophobicContact CD2-CE2 4.09Å; L512-Y516 HydrophobicContact CG-CD2 4.24Å; L512-Y516 HydrophobicContact CG-CE1 4.39Å; L512-Y516 HydrophobicContact CG-CE2 3.67Å; L512-Y516 PolarHBondContact O-N 2.96Å
513L87.1Confident87.1Confident0 Ų049.4 Ų49.40%026%0.256CS..Hα-helixtrans-61.5-42.6176.5-174.359.9000111.7L509 I510 C515 Y516 C517 F528 A542 V545 L546L509-L513 WeakPolarHBondContact O-CB 3.18Å; L509-L513 PolarHBondContact O-N 3.37Å; I510-L513 PolarHBondContact O-N 2.81Å; L513-C515 VanDerWaalsContact C-N 3.32Å; L513-C515 PolarHBondContact O-N 3.29Å; L513-Y516 PolarHBondContact O-N 3.45Å; L513-C517 PolarHBondContact O-N 2.89Å; L513-C517 PolarHBondContact O-SG 3.33Å; L513-F528 HydrophobicContact CD1-CD1 4.04Å; L513-F528 HydrophobicContact CD1-CE1 4.35Å; L513-F528 HydrophobicContact CD1-CG 4.41Å; L513-F528 HydrophobicContact CD2-CE1 4.28Å; L513-A542 HydrophobicContact CD2-CB 3.96Å; L513-V545 HydrophobicContact CG-CG1 4.44Å; L513-L546 HydrophobicContact CD1-CD2 4.16Å; L513-L546 HydrophobicContact CD2-CD1 4.37Å; L513-L546 HydrophobicContact CD2-CD2 4.36Å; L513-L546 HydrophobicContact CD2-CG 4.08Å; L513-L546 HydrophobicContact CG-CD2 4.47Å
514N88Confident87.4Confident60 Ų6047.8 Ų47.832%0.32125%0.245SC..Hα-helixtrans-62.9-39.1173.9-168.9-3000111.5I510 L511 L512 C517 R518 V545I510-N514 WeakPolarHBondContact O-CB 3.29Å; I510-N514 PolarHBondContact O-N 2.87Å; L511-N514 PolarHBondContact O-N 3.32Å; L512-N514 VanDerWaalsContact C-N 3.35Å; L512-N514 PolarHBondContact O-N 3.14Å; N514-C517 PolarHBondContact O-N 3.04Å; N514-R518 WeakPolarHBondContact O-CG 3.43Å; N514-R518 PolarHBondContact O-N 2.9Å; N514-V545 HydrophobicContact CB-CG1 4.2Å
515C88.3Confident87.6Confident0 Ų047.5 Ų47.50%024%0.243CC..Hα-helixtrans-61-45.5173.2-67.20000111.4I488 T492 L511 L512 L513 C517 R518 L519I488-C515 HydrophobicContact CG2-CB 4.02Å; T492-C515 WeakPolarHBondContact OG1-CB 3.3Å; L511-C515 PolarHBondContact O-N 3.09Å; L511-C515 PolarHBondContact O-SG 3.21Å; L512-C515 WeakPolarHBondContact O-CA 3.46Å; L512-C515 WeakPolarHBondContact O-CB 3.23Å; L512-C515 PolarHBondContact O-N 3.32Å; L512-C515 VanDerWaalsContact O-N 3.13Å; L513-C515 VanDerWaalsContact C-N 3.32Å; L513-C515 PolarHBondContact O-N 3.29Å; C515-C517 PolarHBondContact O-N 3.49Å; C515-R518 PolarHBondContact O-N 3.31Å; C515-L519 WeakPolarHBondContact O-CB 3.38Å; C515-L519 WeakPolarHBondContact O-CG 3.46Å; C515-L519 PolarHBondContact O-N 3.41Å
516Y90.9Very high87.6Confident14 Ų1447.5 Ų47.56%0.05524%0.239CC..Hα-helixtrans-60.6-43.8174.4-65.2-30000112.8T492 E496 L512 L513 R518 L519 Q520 D521 K524 F528T492-Y516 HydrophobicContact CG2-CD1 3.96Å; T492-Y516 HydrophobicContact CG2-CE1 3.46Å; T492-Y516 VanDerWaalsContact CG2-CE1 3.46Å; E496-Y516 WeakPolarHBondContact CG-OH 3.44Å; E496-Y516 VanDerWaalsContact OE1-CE1 3.31Å; E496-Y516 WeakPolarHBondContact OE1-CE1 3.36Å; E496-Y516 PolarHBondContact OE1-OH 2.86Å; L512-Y516 HydrophobicContact CD1-CD1 4.33Å; L512-Y516 HydrophobicContact CD1-CE1 3.71Å; L512-Y516 HydrophobicContact CD1-CE2 3.92Å; L512-Y516 VanDerWaalsContact CD1-CZ 3.49Å; L512-Y516 HydrophobicContact CD2-CE2 4.09Å; L512-Y516 HydrophobicContact CG-CD2 4.24Å; L512-Y516 HydrophobicContact CG-CE1 4.39Å; L512-Y516 HydrophobicContact CG-CE2 3.67Å; L512-Y516 PolarHBondContact O-N 2.96Å; L513-Y516 PolarHBondContact O-N 3.45Å; Y516-R518 VanDerWaalsContact C-N 3.32Å; Y516-R518 PolarHBondContact O-N 3.26Å; Y516-L519 CarbonylContact O-C 3.54Å; Y516-L519 PolarHBondContact O-N 3.23Å; Y516-Q520 PolarHBondContact O-N 2.89Å; Y516-D521 PolarHBondContact O-N 3.41Å; Y516-K524 HydrophobicContact CD1-CB 4.07Å; Y516-K524 HydrophobicContact CD1-CD 3.91Å; Y516-K524 HydrophobicContact CD2-CB 4.24Å; Y516-K524 HydrophobicContact CE1-CB 4.03Å; Y516-K524 HydrophobicContact CE1-CD 3.36Å; Y516-K524 HydrophobicContact CE1-CG 4.32Å; Y516-K524 HydrophobicContact CE2-CB 4.19Å; Y516-K524 HydrophobicContact CG-CB 4.18Å; Y516-F528 HydrophobicContact CE2-CD2 4.22Å
517C88Confident87.7Confident10 Ų1053 Ų537%0.06826%0.262CS..Hα-helixtrans-60.4-40.8175.7-68.90000112.2L513 N514 C515 Q520 S549 Y551L513-C517 PolarHBondContact O-N 2.89Å; L513-C517 PolarHBondContact O-SG 3.33Å; N514-C517 PolarHBondContact O-N 3.04Å; C515-C517 PolarHBondContact O-N 3.49Å; C517-Q520 PolarHBondContact O-N 3.25Å; C517-S549 PolarHBondContact SG-OG 3.02Å; C517-Y551 HydrophobicContact CB-CE2 4.48Å
518R87.2Confident87.5Confident106 Ų10648.3 Ų48.340%0.424%0.236SC..Hα-helixtrans-70.9-35.2176.7-71.4-163.8-59.6-151.32.6113.2I488 N514 C515 Y516 Q520I488-R518 HydrophobicContact CD1-CB 4.27Å; N514-R518 WeakPolarHBondContact O-CG 3.43Å; N514-R518 PolarHBondContact O-N 2.9Å; C515-R518 PolarHBondContact O-N 3.31Å; Y516-R518 VanDerWaalsContact C-N 3.32Å; Y516-R518 PolarHBondContact O-N 3.26Å; R518-Q520 PolarHBondContact O-N 2.91Å
519L88.2Confident87.1Confident64 Ų6447.2 Ų47.234%0.33523%0.231SC..Hα-helixtrans-74.3-11.9173.8-68.5175.2000112.9I488 I489 T492 C515 Y516 D521I488-L519 HydrophobicContact CB-CD2 4.4Å; I488-L519 HydrophobicContact CG2-CD1 4.2Å; I488-L519 HydrophobicContact CG2-CD2 3.92Å; I488-L519 HydrophobicContact CG2-CG 3.8Å; I489-L519 HydrophobicContact CG1-CD2 3.92Å; T492-L519 HydrophobicContact CG2-CD1 4.21Å; T492-L519 WeakPolarHBondContact OG1-CD1 3.47Å; C515-L519 WeakPolarHBondContact O-CB 3.38Å; C515-L519 WeakPolarHBondContact O-CG 3.46Å; C515-L519 PolarHBondContact O-N 3.41Å; Y516-L519 CarbonylContact O-C 3.54Å; Y516-L519 PolarHBondContact O-N 3.23Å; L519-D521 PolarHBondContact O-N 3.49Å
520Q85.8Confident86.6Confident143 Ų14353.4 Ų53.467%0.66826%0.258SS*.THydrogen-bonded Turntrans57.631.7-176.5-54.6177.630.500113Y516 C517 R518 V522Y516-Q520 PolarHBondContact O-N 2.89Å; C517-Q520 PolarHBondContact O-N 3.25Å; R518-Q520 PolarHBondContact O-N 2.91Å; Q520-V522 PolarHBondContact O-N 3.17Å; Q520-V522 VanDerWaalsContact O-N 3.14Å
521D88.2Confident86Confident46 Ų4653.8 Ų53.825%0.24627%0.265CS..  trans-84.288179.3-169-27.8000110Y516 L519 D523 K524 I525Y516-D521 PolarHBondContact O-N 3.41Å; L519-D521 PolarHBondContact O-N 3.49Å; D521-D523 VanDerWaalsContact C-N 3.28Å; D521-D523 PolarHBondContact O-N 2.85Å; D521-D523 PolarHBondContact OD1-N 3.46Å; D521-K524 HydrophobicContact CB-CB 4.22Å; D521-K524 PolarHBondContact O-N 3.26Å; D521-K524 PolarHBondContact OD1-N 2.9Å; D521-K524 WeakPolarHBondContact OD2-CD 3.39Å; D521-K524 VanDerWaalsContact OD2-CE 3.3Å; D521-K524 WeakPolarHBondContact OD2-CE 3.48Å; D521-K524 VanDerWaalsContact OD2-CG 3.25Å; D521-K524 WeakPolarHBondContact OD2-CG 3.32Å; D521-I525 WeakPolarHBondContact O-CD1 3.49Å; D521-I525 VanDerWaalsContact O-CG1 3.23Å; D521-I525 WeakPolarHBondContact O-CG1 3.33Å; D521-I525 PolarHBondContact O-N 3.46Å; D521-I525 VanDerWaalsContact O-N 3.09Å
522V86.2Confident85.1Confident73 Ų7358 Ų5844%0.44230%0.295SS..Hα-helixtrans-62-37.3-177.2-177.40000111.5Q520 I525 E526 Y551Q520-V522 PolarHBondContact O-N 3.17Å; Q520-V522 VanDerWaalsContact O-N 3.14Å; V522-I525 PolarHBondContact O-N 3.46Å; V522-E526 HydrophobicContact CG1-CG 4.39Å; V522-E526 WeakPolarHBondContact O-CG 3.41Å; V522-E526 PolarHBondContact O-N 3.13Å; V522-Y551 HydrophobicContact CG2-CE1 4.16Å
523D87.6Confident83.8Confident129 Ų12960.9 Ų60.969%0.6931%0.309SS*.Hα-helixtrans-65.6-44.9-178.5-67.8-37.3000111.1D521 E526 Q527D521-D523 VanDerWaalsContact C-N 3.28Å; D521-D523 PolarHBondContact O-N 2.85Å; D521-D523 PolarHBondContact OD1-N 3.46Å; D523-E526 PolarHBondContact O-N 3.33Å; D523-Q527 WeakPolarHBondContact O-CB 3.45Å; D523-Q527 PolarHBondContact O-N 2.88Å
524K86.5Confident82.8Confident61 Ų6163.5 Ų63.527%0.26532%0.323SS..Hα-helixtrans-67.1-36.2175.3-72-169.5-171.5-171.10112.6E496 Y516 D521 Q527 F528E496-K524 IonicContact OE1-NZ 3.03Å; E496-K524 PolarHBondContact OE1-NZ 3.48Å; E496-K524 IonicContact OE2-NZ 3.55Å; Y516-K524 HydrophobicContact CD1-CB 4.07Å; Y516-K524 HydrophobicContact CD1-CD 3.91Å; Y516-K524 HydrophobicContact CD2-CB 4.24Å; Y516-K524 HydrophobicContact CE1-CB 4.03Å; Y516-K524 HydrophobicContact CE1-CD 3.36Å; Y516-K524 HydrophobicContact CE1-CG 4.32Å; Y516-K524 HydrophobicContact CE2-CB 4.19Å; Y516-K524 HydrophobicContact CG-CB 4.18Å; D521-K524 HydrophobicContact CB-CB 4.22Å; D521-K524 PolarHBondContact O-N 3.26Å; D521-K524 PolarHBondContact OD1-N 2.9Å; D521-K524 WeakPolarHBondContact OD2-CD 3.39Å; D521-K524 VanDerWaalsContact OD2-CE 3.3Å; D521-K524 WeakPolarHBondContact OD2-CE 3.48Å; D521-K524 VanDerWaalsContact OD2-CG 3.25Å; D521-K524 WeakPolarHBondContact OD2-CG 3.32Å; K524-Q527 PolarHBondContact O-N 3.41Å; K524-F528 VanDerWaalsContact O-CB 3.27Å; K524-F528 WeakPolarHBondContact O-CB 3.37Å; K524-F528 PolarHBondContact O-N 3.38Å
525I86.6Confident81.9Confident2 Ų266.5 Ų66.51%0.0135%0.349CS..Hα-helixtrans-62.8-48173.9-65.9164.6000109.9D521 V522 Q527 F528 V529 L546 Y551 A554D521-I525 WeakPolarHBondContact O-CD1 3.49Å; D521-I525 VanDerWaalsContact O-CG1 3.23Å; D521-I525 WeakPolarHBondContact O-CG1 3.33Å; D521-I525 PolarHBondContact O-N 3.46Å; D521-I525 VanDerWaalsContact O-N 3.09Å; V522-I525 PolarHBondContact O-N 3.46Å; I525-Q527 VanDerWaalsContact C-N 3.34Å; I525-Q527 PolarHBondContact O-N 2.92Å; I525-F528 WeakPolarHBondContact O-CB 3.49Å; I525-F528 PolarHBondContact O-N 3.47Å; I525-V529 WeakPolarHBondContact O-CG2 3.45Å; I525-V529 PolarHBondContact O-N 2.86Å; I525-L546 HydrophobicContact CG2-CD2 4.06Å; I525-Y551 HydrophobicContact CD1-CD2 4.16Å; I525-Y551 HydrophobicContact CD1-CE1 4.47Å; I525-Y551 HydrophobicContact CD1-CE2 4Å; I525-Y551 HydrophobicContact CD1-CG 4.48Å; I525-A554 HydrophobicContact CG2-CB 3.91Å
526E85.1Confident81.2Confident58 Ų5872.2 Ų72.227%0.27138%0.377SS..Hα-helixtrans-62.6-41.5177.6-74.3-141.9144.300112.2V522 D523 F528 V529 K530 K557V522-E526 HydrophobicContact CG1-CG 4.39Å; V522-E526 WeakPolarHBondContact O-CG 3.41Å; V522-E526 PolarHBondContact O-N 3.13Å; D523-E526 PolarHBondContact O-N 3.33Å; E526-F528 VanDerWaalsContact C-N 3.32Å; E526-V529 PolarHBondContact O-N 3.39Å; E526-K530 WeakPolarHBondContact O-CB 3.32Å; E526-K530 VanDerWaalsContact O-CG 3.31Å; E526-K530 WeakPolarHBondContact O-CG 3.36Å; E526-K530 PolarHBondContact O-N 3.13Å; E526-K530 IonicContact OE2-NZ 3.17Å; E526-K530 PolarHBondContact OE2-NZ 2.85Å; E526-K557 IonicContact OE1-NZ 3.69Å; E526-K557 PolarHBondContact OE1-NZ 3.1Å
527Q85.4Confident80.7Confident140 Ų14072.3 Ų72.365%0.65438%0.378SS*.Hα-helixtrans-64.3-39176.5-169.6-178.824.600111.3D523 K524 I525 V529 A531D523-Q527 WeakPolarHBondContact O-CB 3.45Å; D523-Q527 PolarHBondContact O-N 2.88Å; K524-Q527 PolarHBondContact O-N 3.41Å; I525-Q527 VanDerWaalsContact C-N 3.34Å; I525-Q527 PolarHBondContact O-N 2.92Å; Q527-V529 VanDerWaalsContact C-N 3.31Å; Q527-V529 PolarHBondContact O-N 2.94Å; Q527-A531 VanDerWaalsContact O-CB 3.22Å; Q527-A531 WeakPolarHBondContact O-CB 3.05Å; Q527-A531 PolarHBondContact O-N 3.49Å
528F83.8Confident80.4Confident19 Ų1974.3 Ų74.38%0.08339%0.389CS..Hα-helixtrans-62.3-39.4176-172.3-84.8000111.8L509 L513 Y516 K524 I525 E526 L537L509-F528 HydrophobicContact CB-CZ 4.25Å; L509-F528 HydrophobicContact CD2-CE2 4.39Å; L513-F528 HydrophobicContact CD1-CD1 4.04Å; L513-F528 HydrophobicContact CD1-CE1 4.35Å; L513-F528 HydrophobicContact CD1-CG 4.41Å; L513-F528 HydrophobicContact CD2-CE1 4.28Å; Y516-F528 HydrophobicContact CE2-CD2 4.22Å; K524-F528 VanDerWaalsContact O-CB 3.27Å; K524-F528 WeakPolarHBondContact O-CB 3.37Å; K524-F528 PolarHBondContact O-N 3.38Å; I525-F528 WeakPolarHBondContact O-CB 3.49Å; I525-F528 PolarHBondContact O-N 3.47Å; E526-F528 VanDerWaalsContact C-N 3.32Å; F528-L537 HydrophobicContact CE1-CD2 3.85Å; F528-L537 HydrophobicContact CZ-CD1 4.26Å; F528-L537 HydrophobicContact CZ-CD2 4.15Å
529V82Confident80.2Confident2 Ų270.7 Ų70.71%0.01238%0.377CS..Hα-helixtrans-78.5-34.5179.9173.70000113.1I525 E526 Q527 A554 K557 L558 N561I525-V529 WeakPolarHBondContact O-CG2 3.45Å; I525-V529 PolarHBondContact O-N 2.86Å; E526-V529 PolarHBondContact O-N 3.39Å; Q527-V529 VanDerWaalsContact C-N 3.31Å; Q527-V529 PolarHBondContact O-N 2.94Å; V529-A554 HydrophobicContact CG2-CB 4.33Å; V529-K557 HydrophobicContact CG1-CB 3.6Å; V529-L558 HydrophobicContact CG1-CB 3.87Å; V529-L558 HydrophobicContact CG2-CB 4.24Å; V529-N561 PolarHBondContact O-ND2 3.17Å
530K78Confident80.1Confident133 Ų13371 Ų7158%0.57838%0.382SS*.Hα-helixtrans-78.3-26.3178.2-74.5168.4175.7161.60113.1E526E526-K530 WeakPolarHBondContact O-CB 3.32Å; E526-K530 VanDerWaalsContact O-CG 3.31Å; E526-K530 WeakPolarHBondContact O-CG 3.36Å; E526-K530 PolarHBondContact O-N 3.13Å; E526-K530 IonicContact OE2-NZ 3.17Å; E526-K530 PolarHBondContact OE2-NZ 2.85Å
531A75.1Confident80Confident33 Ų3366.4 Ų66.427%0.27337%0.365SS..SBendtrans-60.9151.617700000111.1Q527 I533Q527-A531 VanDerWaalsContact O-CB 3.22Å; Q527-A531 WeakPolarHBondContact O-CB 3.05Å; Q527-A531 PolarHBondContact O-N 3.49Å; A531-I533 PolarHBondContact O-N 3.06Å; A531-I533 VanDerWaalsContact O-N 3.16Å
532P69.1Low79.9Confident125 Ų12564.2 Ų64.281%0.81235%0.353SS*.PPolyproline II helixtrans-54.6126.717323.4-32.7000109N534P532-N534 PolarHBondContact O-N 3.14Å; P532-N534 VanDerWaalsContact O-N 3.13Å
533I63.3Low79.8Confident60 Ų6061.4 Ų61.431%0.30834%0.336SS..PPolyproline II helixtrans-60.1121.3-173.5-55.6-178.4000107.6A531 S535 L558 N561 T562A531-I533 PolarHBondContact O-N 3.06Å; A531-I533 VanDerWaalsContact O-N 3.16Å; I533-S535 PolarHBondContact O-N 2.95Å; I533-L558 HydrophobicContact CD1-CD1 4.48Å; I533-N561 HydrophobicContact CD1-CB 3.91Å; I533-T562 HydrophobicContact CD1-CG2 3.27Å
534N65.8Low79.6Confident56 Ų5661.1 Ų61.130%0.29933%0.33SS..PPolyproline II helixtrans-63.1123.9173.8-172.1-28.1000107.4L509 P532 M536 L537L509-N534 HydrophobicContact CD1-CB 3.97Å; P532-N534 PolarHBondContact O-N 3.14Å; P532-N534 VanDerWaalsContact O-N 3.13Å; N534-M536 PolarHBondContact O-N 3.38Å; N534-M536 PolarHBondContact OD1-N 2.92Å; N534-M536 VanDerWaalsContact OD1-N 3.12Å; N534-L537 WeakPolarHBondContact O-CB 3.43Å; N534-L537 PolarHBondContact O-N 2.89Å
535S69.3Low79.7Confident122 Ų12259.1 Ų59.185%0.85332%0.323SS*.THydrogen-bonded Turntrans-56.6-19.8-177.9570000113.3I533I533-S535 PolarHBondContact O-N 2.95Å
536M72.5Confident79.6Confident121 Ų12159 Ų5960%0.59632%0.322SS*.THydrogen-bonded Turntrans-84.1-12.8176.6-64-148.7-17700114.9S506 N534 D538S506-M536 WeakPolarHBondContact CB-O 3.38Å; S506-M536 PolarHBondContact OG-O 3.2Å; N534-M536 PolarHBondContact O-N 3.38Å; N534-M536 PolarHBondContact OD1-N 2.92Å; N534-M536 VanDerWaalsContact OD1-N 3.12Å; M536-D538 PolarHBondContact O-N 2.96Å
537L80.8Confident79.6Confident15 Ų1559.8 Ų59.88%0.07933%0.325CS..  trans-71.4123.7-174.9179.966.9000111.4L509 I510 F528 N534 I539 A542L509-L537 HydrophobicContact CB-CD1 3.8Å; L509-L537 HydrophobicContact CD1-CB 4.25Å; L509-L537 HydrophobicContact CD1-CD1 4.35Å; I510-L537 HydrophobicContact CG1-CD1 4.21Å; F528-L537 HydrophobicContact CE1-CD2 3.85Å; F528-L537 HydrophobicContact CZ-CD1 4.26Å; F528-L537 HydrophobicContact CZ-CD2 4.15Å; N534-L537 WeakPolarHBondContact O-CB 3.43Å; N534-L537 PolarHBondContact O-N 2.89Å; L537-I539 PolarHBondContact O-N 3.37Å; L537-A542 HydrophobicContact CD1-CB 4.34Å; L537-A542 HydrophobicContact CD2-CB 4.35Å; L537-A542 HydrophobicContact CG-CB 4.45Å
538D82.7Confident79.6Confident53 Ų5360.1 Ų60.128%0.28333%0.326SS..  trans-73.197165.917424.8000110.1S506 I510 M536 T540 S541 A542S506-D538 WeakPolarHBondContact OG-CB 3.49Å; S506-D538 PolarHBondContact OG-N 3.19Å; I510-D538 HydrophobicContact CD1-CB 4.24Å; M536-D538 PolarHBondContact O-N 2.96Å; D538-T540 PolarHBondContact O-N 3.36Å; D538-T540 VanDerWaalsContact OD1-CB 3.25Å; D538-T540 WeakPolarHBondContact OD1-CB 3.34Å; D538-T540 PolarHBondContact OD1-N 3.35Å; D538-T540 PolarHBondContact OD1-OG1 3.27Å; D538-S541 PolarHBondContact O-N 3.26Å; D538-S541 VanDerWaalsContact OD2-CB 3.24Å; D538-S541 WeakPolarHBondContact OD2-CB 3.47Å; D538-S541 PolarHBondContact OD2-N 3.42Å; D538-S541 PolarHBondContact OD2-OG 3.5Å; D538-A542 PolarHBondContact O-N 3.38Å
539I82.1Confident79.7Confident29 Ų2960.9 Ų60.915%0.14933%0.334CS..Hα-helixtrans-54.1-37.8178.1-61.5154.9000110.9L537 S541 A542 L543 T562L537-I539 PolarHBondContact O-N 3.37Å; I539-S541 PolarHBondContact O-N 3.06Å; I539-A542 PolarHBondContact O-N 2.93Å; I539-L543 HydrophobicContact CG2-CD1 3.95Å; I539-L543 HydrophobicContact CG2-CG 4.14Å; I539-L543 VanDerWaalsContact O-CG 3.26Å; I539-L543 WeakPolarHBondContact O-CG 3.4Å; I539-L543 PolarHBondContact O-N 3.17Å; I539-T562 HydrophobicContact CD1-CG2 3.45Å; I539-T562 VanDerWaalsContact CD1-CG2 3.45Å; I539-T562 HydrophobicContact CG1-CG2 3.87Å; I539-T562 HydrophobicContact CG2-CG2 4.04Å
540T86.1Confident79.8Confident72 Ų7269.4 Ų69.444%0.44237%0.371SS..Hα-helixtrans-60.8-51-176.9-28.20000111.1D538 L543 H544 R564D538-T540 PolarHBondContact O-N 3.36Å; D538-T540 VanDerWaalsContact OD1-CB 3.25Å; D538-T540 WeakPolarHBondContact OD1-CB 3.34Å; D538-T540 PolarHBondContact OD1-N 3.35Å; D538-T540 PolarHBondContact OD1-OG1 3.27Å; T540-L543 PolarHBondContact O-N 2.67Å; T540-H544 PolarHBondContact O-N 3.44Å; T540-H544 VanDerWaalsContact O-N 3.1Å; T540-R564 PolarHBondContact OG1-NH1 3.48Å
541S84.3Confident80.1Confident46 Ų4665.9 Ų65.932%0.32235%0.354SS..Hα-helixtrans-67.5-38178.1-63.60000111.6D538 I539 L543 H544 V545D538-S541 PolarHBondContact O-N 3.26Å; D538-S541 VanDerWaalsContact OD2-CB 3.24Å; D538-S541 WeakPolarHBondContact OD2-CB 3.47Å; D538-S541 PolarHBondContact OD2-N 3.42Å; D538-S541 PolarHBondContact OD2-OG 3.5Å; I539-S541 PolarHBondContact O-N 3.06Å; S541-L543 PolarHBondContact O-N 3.3Å; S541-H544 WeakPolarHBondContact O-CB 3.34Å; S541-H544 PolarHBondContact O-N 3.23Å; S541-V545 WeakPolarHBondContact O-CG2 3.34Å; S541-V545 PolarHBondContact O-N 3.06Å
542A84.9Confident80.4Confident0 Ų065.6 Ų65.60%035%0.348CS..Hα-helixtrans-61.1-43.4176.200000112.1L513 L537 D538 I539 H544 V545 L546 L558L513-A542 HydrophobicContact CD2-CB 3.96Å; L537-A542 HydrophobicContact CD1-CB 4.34Å; L537-A542 HydrophobicContact CD2-CB 4.35Å; L537-A542 HydrophobicContact CG-CB 4.45Å; D538-A542 PolarHBondContact O-N 3.38Å; I539-A542 PolarHBondContact O-N 2.93Å; A542-H544 VanDerWaalsContact C-N 3.34Å; A542-H544 PolarHBondContact O-N 3.17Å; A542-V545 PolarHBondContact O-N 3.09Å; A542-L546 WeakPolarHBondContact O-CG 3.28Å; A542-L546 PolarHBondContact O-N 3.28Å; A542-L558 HydrophobicContact CB-CD2 3.83Å
543L84.2Confident81Confident14 Ų1464.7 Ų64.77%0.07334%0.336CS..Hα-helixtrans-63.7-39.5175.1-67.6177000111.7I539 T540 S541 L546 K547 A555 L558 A559 D567 L571I539-L543 HydrophobicContact CG2-CD1 3.95Å; I539-L543 HydrophobicContact CG2-CG 4.14Å; I539-L543 VanDerWaalsContact O-CG 3.26Å; I539-L543 WeakPolarHBondContact O-CG 3.4Å; I539-L543 PolarHBondContact O-N 3.17Å; T540-L543 PolarHBondContact O-N 2.67Å; S541-L543 PolarHBondContact O-N 3.3Å; L543-L546 PolarHBondContact O-N 2.93Å; L543-K547 VanDerWaalsContact O-CB 3.3Å; L543-K547 WeakPolarHBondContact O-CB 3.42Å; L543-K547 PolarHBondContact O-N 2.86Å; L543-A555 HydrophobicContact CD2-CB 4.07Å; L543-A555 VanDerWaalsContact CD2-O 3.28Å; L543-A555 WeakPolarHBondContact CD2-O 3.49Å; L543-L558 HydrophobicContact CD2-CB 4.29Å; L543-L558 HydrophobicContact CD2-CD2 4.1Å; L543-L558 HydrophobicContact CD2-CG 4.4Å; L543-A559 HydrophobicContact CD1-CB 4.13Å; L543-A559 HydrophobicContact CD2-CB 3.92Å; L543-D567 HydrophobicContact CD1-CB 3.78Å; L543-L571 HydrophobicContact CD2-CD1 4.17Å
544H85.1Confident81.9Confident123 Ų12362.4 Ų62.457%0.56933%0.327SS*.Hα-helixtrans-62.1-45.1175.8-172.670.4000112.3T540 S541 A542 K547 Q548T540-H544 PolarHBondContact O-N 3.44Å; T540-H544 VanDerWaalsContact O-N 3.1Å; S541-H544 WeakPolarHBondContact O-CB 3.34Å; S541-H544 PolarHBondContact O-N 3.23Å; A542-H544 VanDerWaalsContact C-N 3.34Å; A542-H544 PolarHBondContact O-N 3.17Å; H544-K547 PolarHBondContact O-N 3.26Å; H544-Q548 WeakPolarHBondContact O-CB 3.37Å; H544-Q548 PolarHBondContact O-N 3.42Å
545V86.9Confident82.8Confident19 Ų1959.8 Ų59.812%0.11531%0.312CS..Hα-helixtrans-62.6-44.5177.7171.90000111.2I510 L513 N514 S541 A542 Q548 S549I510-V545 HydrophobicContact CG2-CG2 4.02Å; L513-V545 HydrophobicContact CG-CG1 4.44Å; N514-V545 HydrophobicContact CB-CG1 4.2Å; S541-V545 WeakPolarHBondContact O-CG2 3.34Å; S541-V545 PolarHBondContact O-N 3.06Å; A542-V545 PolarHBondContact O-N 3.09Å; V545-Q548 PolarHBondContact O-N 3.5Å; V545-S549 WeakPolarHBondContact O-CB 3.41Å; V545-S549 PolarHBondContact O-N 2.87Å; V545-S549 PolarHBondContact O-OG 3.36Å
546L85.6Confident83.4Confident0 Ų055.4 Ų55.40%028%0.28CS..Hα-helixtrans-64.3-40.3177.3-70.2170.6000112L513 I525 A542 L543 S549 K550 Y551 A554 A555 L558L513-L546 HydrophobicContact CD1-CD2 4.16Å; L513-L546 HydrophobicContact CD2-CD1 4.37Å; L513-L546 HydrophobicContact CD2-CD2 4.36Å; L513-L546 HydrophobicContact CD2-CG 4.08Å; L513-L546 HydrophobicContact CG-CD2 4.47Å; I525-L546 HydrophobicContact CG2-CD2 4.06Å; A542-L546 WeakPolarHBondContact O-CG 3.28Å; A542-L546 PolarHBondContact O-N 3.28Å; L543-L546 PolarHBondContact O-N 2.93Å; L546-S549 WeakPolarHBondContact CA-OG 3.5Å; L546-S549 PolarHBondContact O-N 3.37Å; L546-S549 PolarHBondContact O-OG 3.49Å; L546-K550 PolarHBondContact O-N 2.98Å; L546-Y551 PolarHBondContact O-N 3.33Å; L546-A554 HydrophobicContact CD2-CB 4.29Å; L546-A555 HydrophobicContact CB-CB 3.81Å; L546-A555 HydrophobicContact CD1-CB 4.19Å; L546-L558 HydrophobicContact CD1-CD2 3.96Å
547K84Confident83.9Confident74 Ų7453.9 Ų53.932%0.32227%0.271SS..Hα-helixtrans-64.7-46.9175.6-177.6165.6176.4150.80111.8L543 H544 S549 K550 I552 L571 E574 D575L543-K547 VanDerWaalsContact O-CB 3.3Å; L543-K547 WeakPolarHBondContact O-CB 3.42Å; L543-K547 PolarHBondContact O-N 2.86Å; H544-K547 PolarHBondContact O-N 3.26Å; K547-S549 VanDerWaalsContact C-N 3.27Å; K547-S549 PolarHBondContact O-N 3.33Å; K547-K550 PolarHBondContact O-N 3.09Å; K547-K550 VanDerWaalsContact O-N 3.1Å; K547-I552 HydrophobicContact CB-CD1 4.44Å; K547-I552 HydrophobicContact CG-CD1 4.27Å; K547-L571 HydrophobicContact CD-CD2 4.21Å; K547-E574 IonicContact NZ-OE2 3.66Å; K547-D575 WeakPolarHBondContact CD-OD2 3.47Å; K547-D575 WeakPolarHBondContact CE-OD1 3.42Å; K547-D575 VanDerWaalsContact CE-OD2 3.22Å; K547-D575 WeakPolarHBondContact CE-OD2 3.24Å; K547-D575 VanDerWaalsContact NZ-CG 3.27Å; K547-D575 IonicContact NZ-OD1 2.6Å; K547-D575 PolarHBondContact NZ-OD1 2.87Å; K547-D575 IonicContact NZ-OD2 2.89Å; K547-D575 PolarHBondContact NZ-OD2 3.09Å
548Q86.1Confident83.9Confident147 Ų14753.3 Ų53.369%0.68727%0.268SS*.Hα-helixtrans-62.4-35.9178.3-172.9178.95.900112.2H544 V545 K550H544-Q548 WeakPolarHBondContact O-CB 3.37Å; H544-Q548 PolarHBondContact O-N 3.42Å; V545-Q548 PolarHBondContact O-N 3.5Å; Q548-K550 VanDerWaalsContact C-N 3.28Å; Q548-K550 PolarHBondContact O-N 2.69Å
549S86.1Confident83.8Confident35 Ų3550.8 Ų50.825%0.24525%0.254CS..THydrogen-bonded Turntrans-84.44.6177.755.10000114.3C517 V545 L546 K547 Y551C517-S549 PolarHBondContact SG-OG 3.02Å; V545-S549 WeakPolarHBondContact O-CB 3.41Å; V545-S549 PolarHBondContact O-N 2.87Å; V545-S549 PolarHBondContact O-OG 3.36Å; L546-S549 WeakPolarHBondContact CA-OG 3.5Å; L546-S549 PolarHBondContact O-N 3.37Å; L546-S549 PolarHBondContact O-OG 3.49Å; K547-S549 VanDerWaalsContact C-N 3.27Å; K547-S549 PolarHBondContact O-N 3.33Å; S549-Y551 VanDerWaalsContact C-N 3.26Å; S549-Y551 WeakPolarHBondContact O-CD2 3.37Å; S549-Y551 PolarHBondContact O-N 3.48Å
550K83Confident83.6Confident181 Ų18151.7 Ų51.779%0.78727%0.271SS*.THydrogen-bonded Turntrans64.717.9178.6-52.6-179.5179.3179.80115.3L546 K547 Q548 I552L546-K550 PolarHBondContact O-N 2.98Å; K547-K550 PolarHBondContact O-N 3.09Å; K547-K550 VanDerWaalsContact O-N 3.1Å; Q548-K550 VanDerWaalsContact C-N 3.28Å; Q548-K550 PolarHBondContact O-N 2.69Å; K550-I552 VanDerWaalsContact C-N 3.33Å; K550-I552 PolarHBondContact O-N 3.27Å
551Y84.8Confident83.2Confident59 Ų5952.9 Ų52.923%0.23127%0.274CS..  trans-9166.1173.5-67.7-74.2000111C517 V522 I525 L546 S549 A554 A555C517-Y551 HydrophobicContact CB-CE2 4.48Å; V522-Y551 HydrophobicContact CG2-CE1 4.16Å; I525-Y551 HydrophobicContact CD1-CD2 4.16Å; I525-Y551 HydrophobicContact CD1-CE1 4.47Å; I525-Y551 HydrophobicContact CD1-CE2 4Å; I525-Y551 HydrophobicContact CD1-CG 4.48Å; L546-Y551 PolarHBondContact O-N 3.33Å; S549-Y551 VanDerWaalsContact C-N 3.26Å; S549-Y551 WeakPolarHBondContact O-CD2 3.37Å; S549-Y551 PolarHBondContact O-N 3.48Å; Y551-A554 PolarHBondContact O-N 3.33Å; Y551-A555 PolarHBondContact O-N 2.77Å; Y551-A555 VanDerWaalsContact O-N 3.17Å
552I81.4Confident82.8Confident27 Ų2751.5 Ų51.514%0.13826%0.264CS..Hα-helixtrans-69.5-37.7-171.6-48.2-55.3000112.1K547 K550 A554 A555 V556 D575 L576K547-I552 HydrophobicContact CB-CD1 4.44Å; K547-I552 HydrophobicContact CG-CD1 4.27Å; K550-I552 VanDerWaalsContact C-N 3.33Å; K550-I552 PolarHBondContact O-N 3.27Å; I552-A554 VanDerWaalsContact C-N 3.29Å; I552-A554 PolarHBondContact O-N 3.05Å; I552-A555 WeakPolarHBondContact O-CB 3.25Å; I552-A555 PolarHBondContact O-N 2.56Å; I552-A555 VanDerWaalsContact O-N 3.09Å; I552-V556 HydrophobicContact CG2-CG2 4.48Å; I552-V556 WeakPolarHBondContact O-CG2 3.36Å; I552-V556 PolarHBondContact O-N 3.22Å; I552-D575 HydrophobicContact CD1-CB 4.4Å; I552-D575 HydrophobicContact CG1-CB 4.41Å; I552-D575 HydrophobicContact CG2-CB 3.8Å; I552-L576 HydrophobicContact CB-CD2 4.02Å; I552-L576 HydrophobicContact CB-CG 4.44Å; I552-L576 HydrophobicContact CG2-CD1 4.21Å; I552-L576 HydrophobicContact CG2-CD2 3.78Å; I552-L576 HydrophobicContact CG2-CG 3.64Å
553D82.6Confident82.2Confident106 Ų10659.3 Ų59.357%0.56731%0.306SS*.Hα-helixtrans-62.5-37.6178.3-64.9-39.4000112.4V556 K557D553-V556 PolarHBondContact O-N 3.24Å; D553-K557 WeakPolarHBondContact O-CG 3.39Å; D553-K557 PolarHBondContact O-N 2.98Å
554A82.5Confident81.9Confident12 Ų1263.3 Ų63.310%0.09932%0.32CS..Hα-helixtrans-68.5-39.1174.400000111.1I525 V529 L546 Y551 I552 K557 L558I525-A554 HydrophobicContact CG2-CB 3.91Å; V529-A554 HydrophobicContact CG2-CB 4.33Å; L546-A554 HydrophobicContact CD2-CB 4.29Å; Y551-A554 PolarHBondContact O-N 3.33Å; I552-A554 VanDerWaalsContact C-N 3.29Å; I552-A554 PolarHBondContact O-N 3.05Å; A554-K557 PolarHBondContact O-N 2.9Å; A554-L558 WeakPolarHBondContact O-CB 3.1Å; A554-L558 PolarHBondContact O-N 3.01Å
555A83Confident81.5Confident0 Ų059.6 Ų59.60%030%0.301CS..Hα-helixtrans-61.7-42.6174.600000111.9L543 L546 Y551 I552 L558 A559 L571L543-A555 HydrophobicContact CD2-CB 4.07Å; L543-A555 VanDerWaalsContact CD2-O 3.28Å; L543-A555 WeakPolarHBondContact CD2-O 3.49Å; L546-A555 HydrophobicContact CB-CB 3.81Å; L546-A555 HydrophobicContact CD1-CB 4.19Å; Y551-A555 PolarHBondContact O-N 2.77Å; Y551-A555 VanDerWaalsContact O-N 3.17Å; I552-A555 WeakPolarHBondContact O-CB 3.25Å; I552-A555 PolarHBondContact O-N 2.56Å; I552-A555 VanDerWaalsContact O-N 3.09Å; A555-L558 PolarHBondContact O-N 3.19Å; A555-A559 WeakPolarHBondContact O-CB 3.44Å; A555-A559 PolarHBondContact O-N 3.35Å; A555-L571 HydrophobicContact CB-CD1 3.81Å
556V82.1Confident81.1Confident30 Ų3060.3 Ų60.318%0.18230%0.304CS..Hα-helixtrans-65.2-42.4177172.90000111.5I552 D553 A559 G560 L571 L572 L576I552-V556 HydrophobicContact CG2-CG2 4.48Å; I552-V556 WeakPolarHBondContact O-CG2 3.36Å; I552-V556 PolarHBondContact O-N 3.22Å; D553-V556 PolarHBondContact O-N 3.24Å; V556-A559 PolarHBondContact O-N 3.35Å; V556-G560 PolarHBondContact O-N 2.99Å; V556-L571 HydrophobicContact CG2-CB 3.82Å; V556-L571 HydrophobicContact CG2-CD1 4.35Å; V556-L572 HydrophobicContact CG1-CD2 4.22Å; V556-L572 HydrophobicContact CG1-CG 4.38Å; V556-L576 HydrophobicContact CG2-CD1 3.81Å
557K82.6Confident80.8Confident90 Ų9063.1 Ų63.139%0.39132%0.319SS..Hα-helixtrans-62.1-42.2174.7-72.7169.1-176.2166.50111.6E526 V529 D553 A554 N561E526-K557 IonicContact OE1-NZ 3.69Å; E526-K557 PolarHBondContact OE1-NZ 3.1Å; V529-K557 HydrophobicContact CG1-CB 3.6Å; D553-K557 WeakPolarHBondContact O-CG 3.39Å; D553-K557 PolarHBondContact O-N 2.98Å; A554-K557 PolarHBondContact O-N 2.9Å; K557-N561 WeakPolarHBondContact O-CB 3.48Å; K557-N561 PolarHBondContact O-N 3.32Å; K557-N561 PolarHBondContact O-ND2 3.31Å; K557-N561 PolarHBondContact O-OD1 3.41Å
558L82.4Confident80.5Confident3 Ų359.6 Ų59.62%0.01630%0.304CS..Hα-helixtrans-64.7-49.9177.9-177.565.1000111V529 I533 A542 L543 L546 A554 A555 G560 N561 T562V529-L558 HydrophobicContact CG1-CB 3.87Å; V529-L558 HydrophobicContact CG2-CB 4.24Å; I533-L558 HydrophobicContact CD1-CD1 4.48Å; A542-L558 HydrophobicContact CB-CD2 3.83Å; L543-L558 HydrophobicContact CD2-CB 4.29Å; L543-L558 HydrophobicContact CD2-CD2 4.1Å; L543-L558 HydrophobicContact CD2-CG 4.4Å; L546-L558 HydrophobicContact CD1-CD2 3.96Å; A554-L558 WeakPolarHBondContact O-CB 3.1Å; A554-L558 PolarHBondContact O-N 3.01Å; A555-L558 PolarHBondContact O-N 3.19Å; L558-G560 VanDerWaalsContact C-N 3.31Å; L558-G560 PolarHBondContact O-N 3.44Å; L558-N561 PolarHBondContact O-N 2.9Å; L558-T562 WeakPolarHBondContact O-CG2 3.35Å; L558-T562 PolarHBondContact O-N 3.47Å
559A80.3Confident80.2Confident0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-62.2-39.8179.400000111.3L543 A555 V556 N561 T562 S568 L571L543-A559 HydrophobicContact CD1-CB 4.13Å; L543-A559 HydrophobicContact CD2-CB 3.92Å; A555-A559 WeakPolarHBondContact O-CB 3.44Å; A555-A559 PolarHBondContact O-N 3.35Å; V556-A559 PolarHBondContact O-N 3.35Å; A559-N561 VanDerWaalsContact C-N 3.33Å; A559-N561 PolarHBondContact O-N 2.98Å; A559-T562 PolarHBondContact O-N 3.3Å; A559-T562 VanDerWaalsContact O-N 3.09Å; A559-T562 PolarHBondContact O-OG1 3.44Å; A559-S568 WeakPolarHBondContact CB-OG 3.3Å; A559-S568 PolarHBondContact O-OG 3.21Å; A559-L571 HydrophobicContact CB-CD1 4.29Å
560G78.1Confident80Confident48 Ų4851.2 Ų51.250%0.49526%0.262SS..Hα-helixtrans-69.8-25.1177.700000114.7V556 L558 S568V556-G560 PolarHBondContact O-N 2.99Å; L558-G560 VanDerWaalsContact C-N 3.31Å; L558-G560 PolarHBondContact O-N 3.44Å; G560-S568 PolarHBondContact N-OG 2.86Å
561N77.4Confident79.9Confident96 Ų9643.2 Ų43.251%0.51323%0.228SC..THydrogen-bonded Turntrans-79.2-9.5172-71.3-10.8000112.6V529 I533 K557 L558 A559V529-N561 PolarHBondContact O-ND2 3.17Å; I533-N561 HydrophobicContact CD1-CB 3.91Å; K557-N561 WeakPolarHBondContact O-CB 3.48Å; K557-N561 PolarHBondContact O-N 3.32Å; K557-N561 PolarHBondContact O-ND2 3.31Å; K557-N561 PolarHBondContact O-OD1 3.41Å; L558-N561 PolarHBondContact O-N 2.9Å; A559-N561 VanDerWaalsContact C-N 3.33Å; A559-N561 PolarHBondContact O-N 2.98Å
562T75.6Confident79.7Confident17 Ų1741 Ų4110%0.10422%0.22CC..SBendtrans-105.5161.6176.867.70000110.7I533 I539 L558 A559 R564I533-T562 HydrophobicContact CD1-CG2 3.27Å; I539-T562 HydrophobicContact CD1-CG2 3.45Å; I539-T562 VanDerWaalsContact CD1-CG2 3.45Å; I539-T562 HydrophobicContact CG1-CG2 3.87Å; I539-T562 HydrophobicContact CG2-CG2 4.04Å; L558-T562 WeakPolarHBondContact O-CG2 3.35Å; L558-T562 PolarHBondContact O-N 3.47Å; A559-T562 PolarHBondContact O-N 3.3Å; A559-T562 VanDerWaalsContact O-N 3.09Å; A559-T562 PolarHBondContact O-OG1 3.44Å; T562-R564 PolarHBondContact O-N 3.35Å; T562-R564 WeakPolarHBondContact OG1-CB 3.01Å; T562-R564 PolarHBondContact OG1-N 3.18Å
563D73.2Confident79.7Confident165 Ų16539.7 Ų39.788%0.88221%0.213SC*.SBendtrans-69.57.3172.2-67.7-26.2000113.4Y565D563-Y565 PolarHBondContact O-N 3.42Å
564R77.3Confident79.5Confident98 Ų9839.4 Ų39.437%0.3721%0.208SC..  trans-92.868.6179.5-60.3-168.8176.3-170.93.2112.1T540 T562 I566 D567 S568T540-R564 PolarHBondContact OG1-NH1 3.48Å; T562-R564 PolarHBondContact O-N 3.35Å; T562-R564 WeakPolarHBondContact OG1-CB 3.01Å; T562-R564 PolarHBondContact OG1-N 3.18Å; R564-I566 VanDerWaalsContact C-N 3.3Å; R564-I566 PolarHBondContact O-N 3.37Å; R564-D567 WeakPolarHBondContact CD-OD2 3.33Å; R564-S568 PolarHBondContact O-N 2.89Å; R564-S568 PolarHBondContact O-OG 3.1Å
565Y77.1Confident79.4Confident44 Ų4441.6 Ų41.617%0.17322%0.218CC..Hα-helixtrans-63.8-31.3178.162.5-90.3000113.4D563 D567 S568 I569 L589 E593D563-Y565 PolarHBondContact O-N 3.42Å; Y565-D567 PolarHBondContact O-N 3.42Å; Y565-S568 WeakPolarHBondContact O-CB 3.26Å; Y565-S568 PolarHBondContact O-N 3.47Å; Y565-I569 HydrophobicContact CD2-CD1 4.1Å; Y565-I569 WeakPolarHBondContact O-CG1 3.44Å; Y565-I569 PolarHBondContact O-N 3.25Å; Y565-L589 HydrophobicContact CD1-CD2 4.26Å; Y565-L589 HydrophobicContact CD2-CD1 3.44Å; Y565-L589 VanDerWaalsContact CD2-CD1 3.44Å; Y565-L589 HydrophobicContact CD2-CD2 4.11Å; Y565-L589 HydrophobicContact CD2-CG 4.44Å; Y565-L589 HydrophobicContact CE2-CD1 3.91Å; Y565-L589 HydrophobicContact CG-CD1 4.04Å; Y565-L589 HydrophobicContact CG-CD2 3.84Å; Y565-E593 HydrophobicContact CE1-CB 4.2Å; Y565-E593 HydrophobicContact CE1-CG 3.79Å; Y565-E593 WeakPolarHBondContact CE1-OE1 3.34Å; Y565-E593 HydrophobicContact CE2-CB 3.82Å; Y565-E593 HydrophobicContact CE2-CG 4.27Å; Y565-E593 VanDerWaalsContact CZ-CG 3.5Å; Y565-E593 WeakPolarHBondContact OH-CG 3.3Å
566I78.5Confident79.2Confident35 Ų3544.7 Ų44.718%0.17924%0.235CC..Hα-helixtrans-60.7-48.2-178.7-57.9177.2000110.2R564 S568 I569 G570 K596 Y601R564-I566 VanDerWaalsContact C-N 3.3Å; R564-I566 PolarHBondContact O-N 3.37Å; I566-S568 VanDerWaalsContact C-N 3.27Å; I566-S568 PolarHBondContact O-N 2.96Å; I566-I569 PolarHBondContact O-N 3.38Å; I566-G570 PolarHBondContact O-N 3.22Å; I566-K596 HydrophobicContact CD1-CD 3.93Å; I566-K596 VanDerWaalsContact CD1-NZ 3.35Å; I566-Y601 HydrophobicContact CG2-CE2 4.39Å
567D77.8Confident79Confident58 Ų5846.6 Ų46.631%0.3125%0.249SC..Hα-helixtrans-61.4-40.1178.1-60.7-27000110.5L543 R564 Y565 I569 G570 L571L543-D567 HydrophobicContact CD1-CB 3.78Å; R564-D567 WeakPolarHBondContact CD-OD2 3.33Å; Y565-D567 PolarHBondContact O-N 3.42Å; D567-I569 PolarHBondContact O-N 2.99Å; D567-G570 PolarHBondContact O-N 3.45Å; D567-L571 WeakPolarHBondContact O-CB 3.4Å; D567-L571 WeakPolarHBondContact O-CG 3.27Å; D567-L571 PolarHBondContact O-N 2.58Å
568S79.2Confident79Confident1 Ų145 Ų451%0.00725%0.245CC..Hα-helixtrans-61.7-43.2176-53.90000112.3A559 G560 R564 Y565 I566 L572A559-S568 WeakPolarHBondContact CB-OG 3.3Å; A559-S568 PolarHBondContact O-OG 3.21Å; G560-S568 PolarHBondContact N-OG 2.86Å; R564-S568 PolarHBondContact O-N 2.89Å; R564-S568 PolarHBondContact O-OG 3.1Å; Y565-S568 WeakPolarHBondContact O-CB 3.26Å; Y565-S568 PolarHBondContact O-N 3.47Å; I566-S568 VanDerWaalsContact C-N 3.27Å; I566-S568 PolarHBondContact O-N 2.96Å; S568-L572 VanDerWaalsContact O-CG 3.31Å; S568-L572 WeakPolarHBondContact O-CG 3.47Å; S568-L572 PolarHBondContact O-N 3.44Å
569I79.5Confident78.8Confident0 Ų045.1 Ų45.10%025%0.246CC..Hα-helixtrans-65.9-44.9176.8-66167.3000109.9Y565 I566 D567 L571 L572 I573 A582 M585 I586 L589 S597 Y601Y565-I569 HydrophobicContact CD2-CD1 4.1Å; Y565-I569 WeakPolarHBondContact O-CG1 3.44Å; Y565-I569 PolarHBondContact O-N 3.25Å; I566-I569 PolarHBondContact O-N 3.38Å; D567-I569 PolarHBondContact O-N 2.99Å; I569-L571 PolarHBondContact O-N 3.4Å; I569-L572 PolarHBondContact O-N 3.04Å; I569-I573 HydrophobicContact CG2-CD1 3.52Å; I569-I573 HydrophobicContact CG2-CG1 4.22Å; I569-I573 VanDerWaalsContact O-CG1 3.31Å; I569-I573 WeakPolarHBondContact O-CG1 3.31Å; I569-I573 PolarHBondContact O-N 3.31Å; I569-A582 HydrophobicContact CG2-CB 4.49Å; I569-M585 HydrophobicContact CB-CE 4.37Å; I569-M585 HydrophobicContact CG1-CE 3.47Å; I569-M585 VanDerWaalsContact CG1-CE 3.47Å; I569-I586 HydrophobicContact CD1-CD1 4.32Å; I569-I586 HydrophobicContact CD1-CG1 3.58Å; I569-I586 HydrophobicContact CG1-CG1 4.24Å; I569-I586 HydrophobicContact CG2-CD1 4.26Å; I569-L589 HydrophobicContact CD1-CD1 3.99Å; I569-S597 WeakPolarHBondContact CD1-OG 3.48Å; I569-Y601 HydrophobicContact CB-CD2 4.44Å; I569-Y601 HydrophobicContact CB-CE2 4.3Å; I569-Y601 HydrophobicContact CG2-CD2 3.52Å; I569-Y601 HydrophobicContact CG2-CE2 3.84Å; I569-Y601 HydrophobicContact CG2-CG 4.08Å
570G81.6Confident79Confident5 Ų551.4 Ų51.45%0.05227%0.274CS..Hα-helixtrans-55.8-50175.700000112I566 D567 L572 I573 E574 Y601I566-G570 PolarHBondContact O-N 3.22Å; D567-G570 PolarHBondContact O-N 3.45Å; G570-L572 PolarHBondContact O-N 3.11Å; G570-I573 PolarHBondContact O-N 3.27Å; G570-E574 VanDerWaalsContact O-CB 3.24Å; G570-E574 WeakPolarHBondContact O-CB 3.48Å; G570-E574 WeakPolarHBondContact O-CG 3.33Å; G570-E574 PolarHBondContact O-N 2.78Å; G570-Y601 VanDerWaalsContact CA-OH 3.27Å; G570-Y601 WeakPolarHBondContact CA-OH 3.24Å
571L81.6Confident79.1Confident13 Ų1351.3 Ų51.37%0.06827%0.265CS..Iπ-helixtrans-60.6-41.6177-68.9170.8000112.5L543 K547 A555 V556 A559 D567 I569 D575 L576L543-L571 HydrophobicContact CD2-CD1 4.17Å; K547-L571 HydrophobicContact CD-CD2 4.21Å; A555-L571 HydrophobicContact CB-CD1 3.81Å; V556-L571 HydrophobicContact CG2-CB 3.82Å; V556-L571 HydrophobicContact CG2-CD1 4.35Å; A559-L571 HydrophobicContact CB-CD1 4.29Å; D567-L571 WeakPolarHBondContact O-CB 3.4Å; D567-L571 WeakPolarHBondContact O-CG 3.27Å; D567-L571 PolarHBondContact O-N 2.58Å; I569-L571 PolarHBondContact O-N 3.4Å; L571-D575 VanDerWaalsContact CD2-OD2 3.26Å; L571-D575 WeakPolarHBondContact CD2-OD2 3.44Å; L571-D575 WeakPolarHBondContact O-CB 3.32Å; L571-D575 PolarHBondContact O-N 3.05Å; L571-D575 VanDerWaalsContact O-N 3.15Å; L571-L576 PolarHBondContact O-N 3.03Å
572L79.2Confident79.5Confident13 Ų1346.7 Ų46.77%0.06824%0.241CC..Iπ-helixtrans-64.8-41.4178.1-76.5167.5000112.3V556 S568 I569 G570 L576 S577 D578 A582 M585V556-L572 HydrophobicContact CG1-CD2 4.22Å; V556-L572 HydrophobicContact CG1-CG 4.38Å; S568-L572 VanDerWaalsContact O-CG 3.31Å; S568-L572 WeakPolarHBondContact O-CG 3.47Å; S568-L572 PolarHBondContact O-N 3.44Å; I569-L572 PolarHBondContact O-N 3.04Å; G570-L572 PolarHBondContact O-N 3.11Å; L572-L576 HydrophobicContact CD2-CD1 4.01Å; L572-L576 CarbonylContact O-C 3.34Å; L572-S577 CarbonylContact O-C 3.37Å; L572-S577 PolarHBondContact O-N 2.88Å; L572-D578 PolarHBondContact O-N 3.3Å; L572-A582 HydrophobicContact CB-CB 4.14Å; L572-A582 HydrophobicContact CD1-CB 4.37Å; L572-M585 HydrophobicContact CD1-CE 3.56Å; L572-M585 HydrophobicContact CD1-SD 4.46Å
573I81.2Confident79.9Confident0 Ų046.5 Ų46.50%024%0.239CC..Iπ-helixtrans-85.4-47.9-173.3-60.9177.9000111.2I569 G570 A582 Y601 Q604 L605 R608I569-I573 HydrophobicContact CG2-CD1 3.52Å; I569-I573 HydrophobicContact CG2-CG1 4.22Å; I569-I573 VanDerWaalsContact O-CG1 3.31Å; I569-I573 WeakPolarHBondContact O-CG1 3.31Å; I569-I573 PolarHBondContact O-N 3.31Å; G570-I573 PolarHBondContact O-N 3.27Å; I573-A582 HydrophobicContact CD1-CB 3.85Å; I573-A582 HydrophobicContact CG1-CB 3.54Å; I573-Y601 VanDerWaalsContact CD1-CB 3.5Å; I573-Y601 HydrophobicContact CD1-CD1 4.12Å; I573-Y601 HydrophobicContact CD1-CD2 4.47Å; I573-Y601 HydrophobicContact CD1-CG 3.79Å; I573-Q604 HydrophobicContact CG2-CB 3.77Å; I573-Q604 HydrophobicContact CG2-CG 4.37Å; I573-L605 HydrophobicContact CD1-CD1 4.27Å; I573-L605 HydrophobicContact CD1-CD2 3.75Å; I573-L605 HydrophobicContact CD1-CG 4Å; I573-L605 HydrophobicContact CG1-CD2 4.3Å; I573-R608 PolarHBondContact O-NH1 3.46Å; I573-R608 PolarHBondContact O-NH2 3.05Å; I573-R608 VanDerWaalsContact O-NH2 3.14Å
574E79.8Confident80.5Confident99 Ų9945.7 Ų45.746%0.46323%0.228SC..Iπ-helixtrans-76.3-47.2-175.9-63.3-179.6179.900111.9K547 G570K547-E574 IonicContact NZ-OE2 3.66Å; G570-E574 VanDerWaalsContact O-CB 3.24Å; G570-E574 WeakPolarHBondContact O-CB 3.48Å; G570-E574 WeakPolarHBondContact O-CG 3.33Å; G570-E574 PolarHBondContact O-N 2.78Å
575D79.6Confident80.8Confident59 Ų5943.3 Ų43.332%0.31622%0.222SC..Iπ-helixtrans-96.9-48.5-170.7-60.5-54.4000112.7K547 I552 L571K547-D575 WeakPolarHBondContact CD-OD2 3.47Å; K547-D575 WeakPolarHBondContact CE-OD1 3.42Å; K547-D575 VanDerWaalsContact CE-OD2 3.22Å; K547-D575 WeakPolarHBondContact CE-OD2 3.24Å; K547-D575 VanDerWaalsContact NZ-CG 3.27Å; K547-D575 IonicContact NZ-OD1 2.6Å; K547-D575 PolarHBondContact NZ-OD1 2.87Å; K547-D575 IonicContact NZ-OD2 2.89Å; K547-D575 PolarHBondContact NZ-OD2 3.09Å; I552-D575 HydrophobicContact CD1-CB 4.4Å; I552-D575 HydrophobicContact CG1-CB 4.41Å; I552-D575 HydrophobicContact CG2-CB 3.8Å; L571-D575 VanDerWaalsContact CD2-OD2 3.26Å; L571-D575 WeakPolarHBondContact CD2-OD2 3.44Å; L571-D575 WeakPolarHBondContact O-CB 3.32Å; L571-D575 PolarHBondContact O-N 3.05Å; L571-D575 VanDerWaalsContact O-N 3.15Å
576L79.7Confident81.2Confident65 Ų6541.3 Ų41.334%0.3421%0.214SC..SBendtrans-84.9-13.8-179.8-68.2178.7000114.1I552 V556 L571 L572 D578I552-L576 HydrophobicContact CB-CD2 4.02Å; I552-L576 HydrophobicContact CB-CG 4.44Å; I552-L576 HydrophobicContact CG2-CD1 4.21Å; I552-L576 HydrophobicContact CG2-CD2 3.78Å; I552-L576 HydrophobicContact CG2-CG 3.64Å; V556-L576 HydrophobicContact CG2-CD1 3.81Å; L571-L576 PolarHBondContact O-N 3.03Å; L572-L576 HydrophobicContact CD2-CD1 4.01Å; L572-L576 CarbonylContact O-C 3.34Å; L576-D578 PolarHBondContact O-N 2.93Å; L576-D578 VanDerWaalsContact O-N 3.09Å
577S77.4Confident81.6Confident69 Ų6943.4 Ų43.448%0.48323%0.225SC..  trans54.719.6-173.2-64.20000115.8L572 G579 R608L572-S577 CarbonylContact O-C 3.37Å; L572-S577 PolarHBondContact O-N 2.88Å; S577-G579 PolarHBondContact O-N 3.42Å; S577-R608 PolarHBondContact O-NH1 3.11Å; S577-R608 PolarHBondContact OG-NH2 3.46Å
578D82.2Confident81.9Confident58 Ų5849.2 Ų49.231%0.3125%0.248SC..  trans-90.381.5-179.9-1740.2000111.7L572 L576 K580 S581 A582L572-D578 PolarHBondContact O-N 3.3Å; L576-D578 PolarHBondContact O-N 2.93Å; L576-D578 VanDerWaalsContact O-N 3.09Å; D578-K580 PolarHBondContact O-N 3.15Å; D578-K580 PolarHBondContact OD1-N 3Å; D578-K580 VanDerWaalsContact OD1-N 3.11Å; D578-S581 PolarHBondContact OD1-N 2.87Å; D578-S581 WeakPolarHBondContact OD2-CB 3.22Å; D578-S581 PolarHBondContact OD2-OG 2.96Å; D578-A582 PolarHBondContact O-N 3.42Å
579G77.7Confident82.2Confident4 Ų451 Ų514%0.04126%0.257CS..Hα-helixtrans-63.8-25.2176.400000114.1S577 L583S577-G579 PolarHBondContact O-N 3.42Å; G579-L583 WeakPolarHBondContact O-CB 3.48Å; G579-L583 WeakPolarHBondContact O-CG 3.33Å; G579-L583 PolarHBondContact O-N 3.42Å
580K84.6Confident82.6Confident132 Ų13254.9 Ų54.957%0.57428%0.278SS*.Hα-helixtrans-75.1-43.5-177.1-70.3-179179.7176.80111.3D578 L583 K584D578-K580 PolarHBondContact O-N 3.15Å; D578-K580 PolarHBondContact OD1-N 3Å; D578-K580 VanDerWaalsContact OD1-N 3.11Å; K580-L583 PolarHBondContact O-N 3.49Å; K580-K584 WeakPolarHBondContact O-CG 3.26Å; K580-K584 PolarHBondContact O-N 2.97Å
581S81.4Confident82.7Confident46 Ų4655.5 Ų55.532%0.32228%0.279SS..Hα-helixtrans-67.4-38.6174.8-640000111.4D578 L583 K584 M585D578-S581 PolarHBondContact OD1-N 2.87Å; D578-S581 WeakPolarHBondContact OD2-CB 3.22Å; D578-S581 PolarHBondContact OD2-OG 2.96Å; S581-L583 PolarHBondContact O-N 3.24Å; S581-K584 PolarHBondContact O-N 2.74Å; S581-M585 PolarHBondContact O-N 3.12Å
582A84.5Confident82.8Confident0 Ų059.1 Ų59.10%030%0.299CS..Hα-helixtrans-58.7-47172.800000112I569 L572 I573 D578 K584 M585 I586 L605I569-A582 HydrophobicContact CG2-CB 4.49Å; L572-A582 HydrophobicContact CB-CB 4.14Å; L572-A582 HydrophobicContact CD1-CB 4.37Å; I573-A582 HydrophobicContact CD1-CB 3.85Å; I573-A582 HydrophobicContact CG1-CB 3.54Å; D578-A582 PolarHBondContact O-N 3.42Å; A582-K584 PolarHBondContact O-N 3Å; A582-M585 WeakPolarHBondContact O-CB 3.48Å; A582-M585 PolarHBondContact O-N 2.87Å; A582-M585 VanDerWaalsContact O-N 3.15Å; A582-I586 VanDerWaalsContact O-CG1 3.27Å; A582-I586 WeakPolarHBondContact O-CG1 3.18Å; A582-I586 PolarHBondContact O-N 3.29Å; A582-L605 HydrophobicContact CB-CD2 4.46Å
583L84.9Confident83.1Confident13 Ų1361.1 Ų61.17%0.06831%0.308CS..Hα-helixtrans-63.1-39.8176.9-79.2167.5000113.1G579 K580 S581 M585 I586 N587 L605 C609 D612 L616G579-L583 WeakPolarHBondContact O-CB 3.48Å; G579-L583 WeakPolarHBondContact O-CG 3.33Å; G579-L583 PolarHBondContact O-N 3.42Å; K580-L583 PolarHBondContact O-N 3.49Å; S581-L583 PolarHBondContact O-N 3.24Å; L583-M585 VanDerWaalsContact C-N 3.26Å; L583-M585 PolarHBondContact O-N 3.04Å; L583-I586 PolarHBondContact O-N 3.15Å; L583-N587 VanDerWaalsContact O-CB 3.32Å; L583-N587 WeakPolarHBondContact O-CB 3.37Å; L583-N587 PolarHBondContact O-N 2.81Å; L583-L605 HydrophobicContact CD1-CD2 4.45Å; L583-L605 HydrophobicContact CD2-CD1 3.92Å; L583-L605 HydrophobicContact CD2-CD2 4.4Å; L583-L605 HydrophobicContact CG-CD1 4.38Å; L583-L605 HydrophobicContact CG-CD2 3.99Å; L583-C609 HydrophobicContact CD1-CB 3.75Å; L583-D612 HydrophobicContact CD1-CB 3.77Å; L583-L616 HydrophobicContact CD2-CD2 3.84Å
584K86Confident83.3Confident147 Ų14761.3 Ų61.364%0.63931%0.309SS*.Hα-helixtrans-62-36.3174.3-75.2175.4-177.1175.10111.9K580 S581 A582 K588K580-K584 WeakPolarHBondContact O-CG 3.26Å; K580-K584 PolarHBondContact O-N 2.97Å; S581-K584 PolarHBondContact O-N 2.74Å; A582-K584 PolarHBondContact O-N 3Å; K584-K588 WeakPolarHBondContact O-CG 3.22Å
585M82.9Confident83.6Confident49 Ų4957.4 Ų57.424%0.24129%0.291CS..Hα-helixtrans-71.5-47.7177.2-165.3153.772.300110.9I569 L572 S581 A582 L583 N587 K588 L589I569-M585 HydrophobicContact CB-CE 4.37Å; I569-M585 HydrophobicContact CG1-CE 3.47Å; I569-M585 VanDerWaalsContact CG1-CE 3.47Å; L572-M585 HydrophobicContact CD1-CE 3.56Å; L572-M585 HydrophobicContact CD1-SD 4.46Å; S581-M585 PolarHBondContact O-N 3.12Å; A582-M585 WeakPolarHBondContact O-CB 3.48Å; A582-M585 PolarHBondContact O-N 2.87Å; A582-M585 VanDerWaalsContact O-N 3.15Å; L583-M585 VanDerWaalsContact C-N 3.26Å; L583-M585 PolarHBondContact O-N 3.04Å; M585-N587 VanDerWaalsContact C-N 3.28Å; M585-N587 PolarHBondContact O-N 3.33Å; M585-K588 WeakPolarHBondContact O-CB 3.23Å; M585-K588 PolarHBondContact O-N 3.17Å; M585-L589 PolarHBondContact O-N 3.47Å
586I85.8Confident83.8Confident1 Ų159.3 Ų59.31%0.00530%0.297CS..Hα-helixtrans-57.9-41176.6-64.9163.7000111.3I569 A582 L583 K588 L589 A594 L605 L616I569-I586 HydrophobicContact CD1-CD1 4.32Å; I569-I586 HydrophobicContact CD1-CG1 3.58Å; I569-I586 HydrophobicContact CG1-CG1 4.24Å; I569-I586 HydrophobicContact CG2-CD1 4.26Å; A582-I586 VanDerWaalsContact O-CG1 3.27Å; A582-I586 WeakPolarHBondContact O-CG1 3.18Å; A582-I586 PolarHBondContact O-N 3.29Å; L583-I586 PolarHBondContact O-N 3.15Å; I586-K588 PolarHBondContact O-N 3.49Å; I586-L589 WeakPolarHBondContact O-CB 3.27Å; I586-L589 PolarHBondContact O-N 2.91Å; I586-L589 VanDerWaalsContact O-N 3.12Å; I586-A594 HydrophobicContact CG2-CB 4.01Å; I586-L605 HydrophobicContact CD1-CD1 3.63Å; I586-L616 HydrophobicContact CB-CD2 4.33Å; I586-L616 HydrophobicContact CG2-CD1 4.47Å; I586-L616 HydrophobicContact CG2-CD2 3.59Å
587N86.4Confident84.1Confident79 Ų7956.2 Ų56.242%0.42228%0.281SS..THydrogen-bonded Turntrans-68-12.6178.8-175.390.1000113.6L583 M585 L616 K619L583-N587 VanDerWaalsContact O-CB 3.32Å; L583-N587 WeakPolarHBondContact O-CB 3.37Å; L583-N587 PolarHBondContact O-N 2.81Å; M585-N587 VanDerWaalsContact C-N 3.28Å; M585-N587 PolarHBondContact O-N 3.33Å; N587-L616 HydrophobicContact CB-CD1 4.43Å; N587-K619 PolarHBondContact OD1-NZ 3.27Å
588K84.9Confident84.5Confident181 Ų18153 Ų5379%0.78726%0.258SS*.THydrogen-bonded Turntrans-94.3-14.8173.6-70.6179.2179.2-176.10113.3K584 M585 I586K584-K588 WeakPolarHBondContact O-CG 3.22Å; M585-K588 WeakPolarHBondContact O-CB 3.23Å; M585-K588 PolarHBondContact O-N 3.17Å; I586-K588 PolarHBondContact O-N 3.49Å
589L85.1Confident84.6Confident38 Ų3851.1 Ų51.120%0.19925%0.249CC..SBendtrans-72.9162.6-179.7-63.8175.6000111.2Y565 I569 M585 I586 E593 A594Y565-L589 HydrophobicContact CD1-CD2 4.26Å; Y565-L589 HydrophobicContact CD2-CD1 3.44Å; Y565-L589 VanDerWaalsContact CD2-CD1 3.44Å; Y565-L589 HydrophobicContact CD2-CD2 4.11Å; Y565-L589 HydrophobicContact CD2-CG 4.44Å; Y565-L589 HydrophobicContact CE2-CD1 3.91Å; Y565-L589 HydrophobicContact CG-CD1 4.04Å; Y565-L589 HydrophobicContact CG-CD2 3.84Å; I569-L589 HydrophobicContact CD1-CD1 3.99Å; M585-L589 PolarHBondContact O-N 3.47Å; I586-L589 WeakPolarHBondContact O-CB 3.27Å; I586-L589 PolarHBondContact O-N 2.91Å; I586-L589 VanDerWaalsContact O-N 3.12Å; L589-E593 HydrophobicContact CB-CB 4.01Å; L589-E593 HydrophobicContact CD1-CB 4.2Å; L589-A594 HydrophobicContact CB-CB 4.39Å
590N87.4Confident84.9Confident81 Ų8155.1 Ų55.143%0.43327%0.267SS..  trans-68169.7170.572.742.2000110.7D592 E593 A594N590-D592 PolarHBondContact O-N 3.48Å; N590-D592 PolarHBondContact OD1-N 3.4Å; N590-D592 VanDerWaalsContact OD1-N 3.14Å; N590-E593 WeakPolarHBondContact ND2-CG 3.35Å; N590-E593 PolarHBondContact ND2-OE1 2.93Å; N590-E593 PolarHBondContact ND2-OE2 3.46Å; N590-E593 PolarHBondContact O-N 2.89Å; N590-E593 WeakPolarHBondContact OD1-CB 3.16Å; N590-E593 WeakPolarHBondContact OD1-CG 3.37Å; N590-E593 PolarHBondContact OD1-N 2.74Å; N590-A594 VanDerWaalsContact O-CB 3.23Å; N590-A594 WeakPolarHBondContact O-CB 3.44Å; N590-A594 PolarHBondContact O-N 2.93Å
591F85.1Confident84.9Confident19 Ų1950.1 Ų50.18%0.08324%0.244CC..Hα-helixtrans-58.2-45.7-174.8-179.6-97000113.7L595 L620 H623 D625 R628 I629F591-L595 HydrophobicContact CE1-CD2 4.32Å; F591-L595 VanDerWaalsContact O-CB 3.3Å; F591-L595 WeakPolarHBondContact O-CB 3.49Å; F591-L595 PolarHBondContact O-N 3.3Å; F591-L620 HydrophobicContact CD2-CD2 3.71Å; F591-L620 HydrophobicContact CE2-CB 4.24Å; F591-L620 HydrophobicContact CE2-CD2 3.86Å; F591-L620 WeakPolarHBondContact CE2-O 3.15Å; F591-H623 HydrophobicContact CD2-CB 3.7Å; F591-H623 AromaticContact CD2-CG 3.52Å; F591-H623 AromaticContact CD2-ND1 3.51Å; F591-H623 HydrophobicContact CE2-CB 3.67Å; F591-H623 AromaticContact CG-ND1 3.77Å; F591-D625 HydrophobicContact CD1-CB 3.68Å; F591-D625 HydrophobicContact CE1-CB 3.61Å; F591-D625 WeakPolarHBondContact CE1-O 3.05Å; F591-D625 HydrophobicContact CG-CB 4.19Å; F591-D625 HydrophobicContact CZ-CB 4.08Å; F591-D625 WeakPolarHBondContact CZ-O 3.24Å; F591-R628 HydrophobicContact CE1-CB 4.28Å; F591-I629 HydrophobicContact CE2-CD1 4.27Å; F591-I629 HydrophobicContact CZ-CD1 4Å; F591-I629 HydrophobicContact CZ-CG1 3.84Å
592D83.8Confident85Confident89 Ų8947.9 Ų47.948%0.47623%0.229SC..Hα-helixtrans-68.6-42-176.1-70.2-35.9000111.6N590 L595 K596N590-D592 PolarHBondContact O-N 3.48Å; N590-D592 PolarHBondContact OD1-N 3.4Å; N590-D592 VanDerWaalsContact OD1-N 3.14Å; D592-L595 PolarHBondContact O-N 3.45Å; D592-K596 PolarHBondContact O-N 3.45Å
593E84.2Confident85.1Confident55 Ų5551.6 Ų51.626%0.25725%0.246SC..Hα-helixtrans-69.2-39.7178.5-63.8179.816000111.8Y565 L589 N590 K596 S597Y565-E593 HydrophobicContact CE1-CB 4.2Å; Y565-E593 HydrophobicContact CE1-CG 3.79Å; Y565-E593 WeakPolarHBondContact CE1-OE1 3.34Å; Y565-E593 HydrophobicContact CE2-CB 3.82Å; Y565-E593 HydrophobicContact CE2-CG 4.27Å; Y565-E593 VanDerWaalsContact CZ-CG 3.5Å; Y565-E593 WeakPolarHBondContact OH-CG 3.3Å; L589-E593 HydrophobicContact CB-CB 4.01Å; L589-E593 HydrophobicContact CD1-CB 4.2Å; N590-E593 WeakPolarHBondContact ND2-CG 3.35Å; N590-E593 PolarHBondContact ND2-OE1 2.93Å; N590-E593 PolarHBondContact ND2-OE2 3.46Å; N590-E593 PolarHBondContact O-N 2.89Å; N590-E593 WeakPolarHBondContact OD1-CB 3.16Å; N590-E593 WeakPolarHBondContact OD1-CG 3.37Å; N590-E593 PolarHBondContact OD1-N 2.74Å; E593-K596 PolarHBondContact O-N 2.98Å; E593-S597 WeakPolarHBondContact O-CB 3.21Å; E593-S597 PolarHBondContact O-N 3.47Å; E593-S597 PolarHBondContact O-OG 3.45Å
594A85.5Confident85Confident4 Ų453 Ų533%0.03325%0.252CS..Hα-helixtrans-64.2-40.5173.200000111.5I586 L589 N590 S597 I598 L620I586-A594 HydrophobicContact CG2-CB 4.01Å; L589-A594 HydrophobicContact CB-CB 4.39Å; N590-A594 VanDerWaalsContact O-CB 3.23Å; N590-A594 WeakPolarHBondContact O-CB 3.44Å; N590-A594 PolarHBondContact O-N 2.93Å; A594-S597 PolarHBondContact O-N 3.14Å; A594-I598 WeakPolarHBondContact O-CB 3.31Å; A594-I598 WeakPolarHBondContact O-CG2 3.38Å; A594-I598 PolarHBondContact O-N 3.3Å; A594-L620 HydrophobicContact CB-CD2 4.08Å
595L85.8Confident85Confident17 Ų1746 Ų469%0.08922%0.222CC..Hα-helixtrans-66.8-38.9177.4-17761.4000112.5F591 D592 I598 S599 I629 H633F591-L595 HydrophobicContact CE1-CD2 4.32Å; F591-L595 VanDerWaalsContact O-CB 3.3Å; F591-L595 WeakPolarHBondContact O-CB 3.49Å; F591-L595 PolarHBondContact O-N 3.3Å; D592-L595 PolarHBondContact O-N 3.45Å; L595-I598 HydrophobicContact CD1-CG2 4.17Å; L595-I598 VanDerWaalsContact O-CG2 3.28Å; L595-I598 WeakPolarHBondContact O-CG2 3.41Å; L595-S599 WeakPolarHBondContact O-CB 3.26Å; L595-S599 PolarHBondContact O-N 2.78Å; L595-S599 VanDerWaalsContact O-N 3.12Å; L595-S599 PolarHBondContact O-OG 3.22Å; L595-I629 HydrophobicContact CD1-CG1 4.3Å; L595-I629 HydrophobicContact CD2-CG1 4.5Å; L595-H633 HydrophobicContact CD1-CB 4.41Å
596K85Confident85.1Confident99 Ų9944 Ų4443%0.4321%0.212SC..Hα-helixtrans-65-47.4173.4-172.9179.8177.2-1740111I566 D592 E593 I598 S599 E600I566-K596 HydrophobicContact CD1-CD 3.93Å; I566-K596 VanDerWaalsContact CD1-NZ 3.35Å; D592-K596 PolarHBondContact O-N 3.45Å; E593-K596 PolarHBondContact O-N 2.98Å; K596-I598 PolarHBondContact O-N 3.42Å; K596-S599 WeakPolarHBondContact O-CB 3.41Å; K596-S599 PolarHBondContact O-N 2.99Å; K596-S599 VanDerWaalsContact O-N 3.11Å; K596-E600 WeakPolarHBondContact CE-OE1 3.47Å; K596-E600 PolarHBondContact O-N 3.32Å
597S84.6Confident84.9Confident0 Ų049.3 Ų49.30%025%0.245CC..Hα-helixtrans-61.8-42.5-179.2-57.30000112.5I569 E593 A594 S599 E600 Y601I569-S597 WeakPolarHBondContact CD1-OG 3.48Å; E593-S597 WeakPolarHBondContact O-CB 3.21Å; E593-S597 PolarHBondContact O-N 3.47Å; E593-S597 PolarHBondContact O-OG 3.45Å; A594-S597 PolarHBondContact O-N 3.14Å; S597-S599 VanDerWaalsContact C-N 3.3Å; S597-S599 PolarHBondContact O-N 3.21Å; S597-E600 PolarHBondContact O-N 3.04Å; S597-Y601 PolarHBondContact O-N 3.1Å
598I86.9Confident84.8Confident2 Ų250.1 Ų50.11%0.0124%0.242CC..Hα-helixtrans-69-30176.6-159.564.3000111.7A594 L595 K596 G602 L605 T613 L616 L617 L620 V637A594-I598 WeakPolarHBondContact O-CB 3.31Å; A594-I598 WeakPolarHBondContact O-CG2 3.38Å; A594-I598 PolarHBondContact O-N 3.3Å; L595-I598 HydrophobicContact CD1-CG2 4.17Å; L595-I598 VanDerWaalsContact O-CG2 3.28Å; L595-I598 WeakPolarHBondContact O-CG2 3.41Å; K596-I598 PolarHBondContact O-N 3.42Å; I598-G602 WeakPolarHBondContact O-CA 3.45Å; I598-G602 PolarHBondContact O-N 3.48Å; I598-L605 HydrophobicContact CD1-CD1 4.13Å; I598-T613 HydrophobicContact CD1-CG2 3.97Å; I598-L616 HydrophobicContact CD1-CD2 4.02Å; I598-L617 HydrophobicContact CG1-CD2 3.92Å; I598-L620 HydrophobicContact CG2-CD1 4.12Å; I598-V637 HydrophobicContact CG1-CG2 3.98Å; I598-V637 WeakPolarHBondContact O-CG2 3.24Å
599S84.9Confident84.8Confident18 Ų1842.4 Ų42.413%0.12621%0.211CC..Hα-helixtrans-73.4-33.1177.9-62.40000113.1L595 K596 S597 H633L595-S599 WeakPolarHBondContact O-CB 3.26Å; L595-S599 PolarHBondContact O-N 2.78Å; L595-S599 VanDerWaalsContact O-N 3.12Å; L595-S599 PolarHBondContact O-OG 3.22Å; K596-S599 WeakPolarHBondContact O-CB 3.41Å; K596-S599 PolarHBondContact O-N 2.99Å; K596-S599 VanDerWaalsContact O-N 3.11Å; S597-S599 VanDerWaalsContact C-N 3.3Å; S597-S599 PolarHBondContact O-N 3.21Å; S599-H633 PolarHBondContact OG-CD2 3.25Å
600E83.2Confident84.7Confident87 Ų8743.8 Ų43.841%0.40722%0.222SC..Hα-helixtrans-83.8-45.4178.5-70.7178.6-174.800111.7K596 S597K596-E600 WeakPolarHBondContact CE-OE1 3.47Å; K596-E600 PolarHBondContact O-N 3.32Å; S597-E600 PolarHBondContact O-N 3.04Å
601Y83.8Confident84.5Confident27 Ų2746.6 Ų46.611%0.10623%0.232CC..Hα-helixtrans-108.4-3.5-172.5-60.1-71.6000115.1I566 I569 G570 I573 S597 H603 Q604 L605I566-Y601 HydrophobicContact CG2-CE2 4.39Å; I569-Y601 HydrophobicContact CB-CD2 4.44Å; I569-Y601 HydrophobicContact CB-CE2 4.3Å; I569-Y601 HydrophobicContact CG2-CD2 3.52Å; I569-Y601 HydrophobicContact CG2-CE2 3.84Å; I569-Y601 HydrophobicContact CG2-CG 4.08Å; G570-Y601 VanDerWaalsContact CA-OH 3.27Å; G570-Y601 WeakPolarHBondContact CA-OH 3.24Å; I573-Y601 VanDerWaalsContact CD1-CB 3.5Å; I573-Y601 HydrophobicContact CD1-CD1 4.12Å; I573-Y601 HydrophobicContact CD1-CD2 4.47Å; I573-Y601 HydrophobicContact CD1-CG 3.79Å; S597-Y601 PolarHBondContact O-N 3.1Å; Y601-H603 VanDerWaalsContact C-N 3.25Å; Y601-H603 PolarHBondContact O-N 2.95Å; Y601-H603 VanDerWaalsContact O-N 3.17Å; Y601-Q604 PolarHBondContact O-N 3.21Å; Y601-L605 PolarHBondContact O-N 3.42Å; Y601-L605 VanDerWaalsContact O-N 3.14Å
602G84.3Confident84.6Confident0 Ų048.9 Ų48.90%025%0.245CC..Hα-helixtrans-58-33.3-173.800000114.4I598 Q604 L605 I606I598-G602 WeakPolarHBondContact O-CA 3.45Å; I598-G602 PolarHBondContact O-N 3.48Å; G602-Q604 VanDerWaalsContact C-N 3.26Å; G602-Q604 PolarHBondContact O-N 3.19Å; G602-L605 PolarHBondContact O-N 2.93Å; G602-I606 PolarHBondContact O-N 2.91Å
603H85.6Confident84.8Confident78 Ų7844.6 Ų44.636%0.36122%0.223SC..Hα-helixtrans-63.2-31.717781.576.9000113.1Y601 I606 T607 V637 V639Y601-H603 VanDerWaalsContact C-N 3.25Å; Y601-H603 PolarHBondContact O-N 2.95Å; Y601-H603 VanDerWaalsContact O-N 3.17Å; H603-I606 WeakPolarHBondContact O-CG2 3.46Å; H603-T607 PolarHBondContact O-OG1 3.41Å; H603-V637 VanDerWaalsContact CA-O 3.24Å; H603-V637 WeakPolarHBondContact CA-O 3.44Å; H603-V639 HydrophobicContact CB-CB 4.31Å
604Q83.6Confident84.8Confident41 Ų4143.8 Ų43.819%0.19222%0.22CC..Hα-helixtrans-81.3-39.2176.9-59.3-174.139.100110.5I573 Y601 G602 T607 R608I573-Q604 HydrophobicContact CG2-CB 3.77Å; I573-Q604 HydrophobicContact CG2-CG 4.37Å; Y601-Q604 PolarHBondContact O-N 3.21Å; G602-Q604 VanDerWaalsContact C-N 3.26Å; G602-Q604 PolarHBondContact O-N 3.19Å; Q604-T607 PolarHBondContact O-N 3.31Å; Q604-R608 WeakPolarHBondContact O-CG 3.28Å; Q604-R608 PolarHBondContact O-N 3.44Å; Q604-R608 VanDerWaalsContact O-N 3.08Å
605L85.4Confident84.9Confident0 Ų048.6 Ų48.60%024%0.24CC..Hα-helixtrans-65.2-42.8179-66.5176000112.1I573 A582 L583 I586 I598 Y601 G602 T607 R608 C609 T613I573-L605 HydrophobicContact CD1-CD1 4.27Å; I573-L605 HydrophobicContact CD1-CD2 3.75Å; I573-L605 HydrophobicContact CD1-CG 4Å; I573-L605 HydrophobicContact CG1-CD2 4.3Å; A582-L605 HydrophobicContact CB-CD2 4.46Å; L583-L605 HydrophobicContact CD1-CD2 4.45Å; L583-L605 HydrophobicContact CD2-CD1 3.92Å; L583-L605 HydrophobicContact CD2-CD2 4.4Å; L583-L605 HydrophobicContact CG-CD1 4.38Å; L583-L605 HydrophobicContact CG-CD2 3.99Å; I586-L605 HydrophobicContact CD1-CD1 3.63Å; I598-L605 HydrophobicContact CD1-CD1 4.13Å; Y601-L605 PolarHBondContact O-N 3.42Å; Y601-L605 VanDerWaalsContact O-N 3.14Å; G602-L605 PolarHBondContact O-N 2.93Å; L605-T607 VanDerWaalsContact C-N 3.3Å; L605-T607 PolarHBondContact O-N 3.36Å; L605-R608 PolarHBondContact O-N 3.47Å; L605-C609 CarbonylContact O-C 3.54Å; L605-C609 WeakPolarHBondContact O-CA 3.16Å; L605-C609 PolarHBondContact O-N 2.73Å; L605-T613 VanDerWaalsContact C-OG1 3.23Å; L605-T613 HydrophobicContact CB-CG2 4.13Å; L605-T613 WeakPolarHBondContact CB-OG1 3.41Å; L605-T613 PolarHBondContact O-OG1 2.86Å; L605-T613 VanDerWaalsContact O-OG1 3.13Å
606I84.9Confident84.9Confident7 Ų748.3 Ų48.34%0.03624%0.238CC..Hα-helixtrans-66.1-35177.9-160.372.6000111.9G602 H603 P610 T613 I614 V637 F638G602-I606 PolarHBondContact O-N 2.91Å; H603-I606 WeakPolarHBondContact O-CG2 3.46Å; I606-P610 HydrophobicContact CD1-CB 4.43Å; I606-P610 WeakPolarHBondContact O-CA 3.4Å; I606-P610 WeakPolarHBondContact O-CB 3.49Å; I606-T613 HydrophobicContact CB-CG2 4.31Å; I606-T613 HydrophobicContact CD1-CG2 3.95Å; I606-I614 HydrophobicContact CD1-CD1 4.32Å; I606-I614 HydrophobicContact CD1-CG1 3.87Å; I606-V637 HydrophobicContact CB-CG1 4.38Å; I606-V637 WeakPolarHBondContact CG2-O 3.35Å; I606-F638 HydrophobicContact CD1-CD1 4.46Å; I606-F638 HydrophobicContact CD1-CE1 3.69Å; I606-F638 HydrophobicContact CD1-CZ 3.95Å; I606-F638 HydrophobicContact CG1-CD1 4.09Å; I606-F638 HydrophobicContact CG1-CE1 3.8Å; I606-F638 HydrophobicContact CG1-CZ 4.45Å
607T83.2Confident84.9Confident114 Ų11443.9 Ų43.970%0.69922%0.219SC*.Hα-helixtrans-69.6-36.2179-57.80000111.4H603 Q604 L605H603-T607 PolarHBondContact O-OG1 3.41Å; Q604-T607 PolarHBondContact O-N 3.31Å; L605-T607 VanDerWaalsContact C-N 3.3Å; L605-T607 PolarHBondContact O-N 3.36Å
608R82.6Confident84.9Confident96 Ų9646.6 Ų46.636%0.36223%0.234SC..Hα-helixtrans-92.7-39.9-176.3-66.4178.2-179.3175.12.6113.7I573 S577 Q604 L605I573-R608 PolarHBondContact O-NH1 3.46Å; I573-R608 PolarHBondContact O-NH2 3.05Å; I573-R608 VanDerWaalsContact O-NH2 3.14Å; S577-R608 PolarHBondContact O-NH1 3.11Å; S577-R608 PolarHBondContact OG-NH2 3.46Å; Q604-R608 WeakPolarHBondContact O-CG 3.28Å; Q604-R608 PolarHBondContact O-N 3.44Å; Q604-R608 VanDerWaalsContact O-N 3.08Å; L605-R608 PolarHBondContact O-N 3.47Å
609C85.6Confident84.8Confident19 Ų1952.3 Ų52.313%0.12826%0.259CS..  trans-13970-172.3-64.80000110.3L583 L605 E611 T613L583-C609 HydrophobicContact CD1-CB 3.75Å; L605-C609 CarbonylContact O-C 3.54Å; L605-C609 WeakPolarHBondContact O-CA 3.16Å; L605-C609 PolarHBondContact O-N 2.73Å; C609-E611 PolarHBondContact O-N 3.37Å; C609-T613 WeakPolarHBondContact O-CB 3.38Å; C609-T613 PolarHBondContact O-N 3.12Å; C609-T613 VanDerWaalsContact O-N 3.08Å; C609-T613 PolarHBondContact O-OG1 2.97Å
610P83.3Confident84.7Confident66 Ų6652.1 Ų52.143%0.42926%0.256SS..Hα-helixtrans-61.8-47.4-172.422.1-32.6000112.7I606 D612 T613 I614I606-P610 HydrophobicContact CD1-CB 4.43Å; I606-P610 WeakPolarHBondContact O-CA 3.4Å; I606-P610 WeakPolarHBondContact O-CB 3.49Å; P610-D612 PolarHBondContact O-N 3.16Å; P610-T613 PolarHBondContact O-N 2.98Å; P610-I614 VanDerWaalsContact O-CB 3.3Å; P610-I614 WeakPolarHBondContact O-CB 3.38Å; P610-I614 WeakPolarHBondContact O-CD1 3.15Å; P610-I614 WeakPolarHBondContact O-CG1 3.3Å; P610-I614 PolarHBondContact O-N 3.12Å
611E84.2Confident84.6Confident140 Ų14048.7 Ų48.765%0.65424%0.242SC*.Hα-helixtrans-61.9-44.7-177-68.8-174.2-166.600113.2C609 I614 K615C609-E611 PolarHBondContact O-N 3.37Å; E611-I614 PolarHBondContact O-N 3.42Å; E611-K615 VanDerWaalsContact O-CG 3.3Å; E611-K615 WeakPolarHBondContact O-CG 3.3Å; E611-K615 PolarHBondContact O-N 2.7Å
612D85.9Confident84.4Confident67 Ų6751.5 Ų51.536%0.35827%0.27SS..Hα-helixtrans-73.9-34.1-177.4-67.5-27.7000111.7L583 P610 K615 L616L583-D612 HydrophobicContact CD1-CB 3.77Å; P610-D612 PolarHBondContact O-N 3.16Å; D612-K615 PolarHBondContact O-N 2.96Å; D612-K615 IonicContact OD1-NZ 2.61Å; D612-K615 PolarHBondContact OD1-NZ 3.08Å; D612-L616 PolarHBondContact O-N 2.76Å
613T87.4Confident84.2Confident0 Ų055.1 Ų55.10%029%0.287CS..Hα-helixtrans-64.9-42.8172.7-54.30000110.9I598 L605 I606 C609 P610 L616 L617 V637I598-T613 HydrophobicContact CD1-CG2 3.97Å; L605-T613 VanDerWaalsContact C-OG1 3.23Å; L605-T613 HydrophobicContact CB-CG2 4.13Å; L605-T613 WeakPolarHBondContact CB-OG1 3.41Å; L605-T613 PolarHBondContact O-OG1 2.86Å; L605-T613 VanDerWaalsContact O-OG1 3.13Å; I606-T613 HydrophobicContact CB-CG2 4.31Å; I606-T613 HydrophobicContact CD1-CG2 3.95Å; C609-T613 WeakPolarHBondContact O-CB 3.38Å; C609-T613 PolarHBondContact O-N 3.12Å; C609-T613 VanDerWaalsContact O-N 3.08Å; C609-T613 PolarHBondContact O-OG1 2.97Å; P610-T613 PolarHBondContact O-N 2.98Å; T613-L616 WeakPolarHBondContact O-CB 3.49Å; T613-L616 PolarHBondContact O-N 3.32Å; T613-L617 WeakPolarHBondContact O-CG 3.34Å; T613-L617 PolarHBondContact O-N 2.96Å; T613-V637 HydrophobicContact CG2-CG1 4.48Å
614I86.1Confident83.8Confident38 Ų3856.9 Ų56.920%0.19531%0.305CS..Hα-helixtrans-63.4-44.9176.8-73.8169.3000110.9I606 P610 E611 L616 L617 D618I606-I614 HydrophobicContact CD1-CD1 4.32Å; I606-I614 HydrophobicContact CD1-CG1 3.87Å; P610-I614 VanDerWaalsContact O-CB 3.3Å; P610-I614 WeakPolarHBondContact O-CB 3.38Å; P610-I614 WeakPolarHBondContact O-CD1 3.15Å; P610-I614 WeakPolarHBondContact O-CG1 3.3Å; P610-I614 PolarHBondContact O-N 3.12Å; E611-I614 PolarHBondContact O-N 3.42Å; I614-L616 PolarHBondContact O-N 3.08Å; I614-L617 WeakPolarHBondContact O-CB 3.5Å; I614-L617 PolarHBondContact O-N 3.44Å; I614-L617 VanDerWaalsContact O-N 3.15Å; I614-D618 VanDerWaalsContact O-CG 3.31Å; I614-D618 PolarHBondContact O-N 3.48Å
615K86.4Confident83.4Confident105 Ų10557.3 Ų57.346%0.45731%0.309SS..Hα-helixtrans-59.6-36174.5-72168.6-163.91570112.4E611 D612 K619E611-K615 VanDerWaalsContact O-CG 3.3Å; E611-K615 WeakPolarHBondContact O-CG 3.3Å; E611-K615 PolarHBondContact O-N 2.7Å; D612-K615 PolarHBondContact O-N 2.96Å; D612-K615 IonicContact OD1-NZ 2.61Å; D612-K615 PolarHBondContact OD1-NZ 3.08Å; K615-K619 WeakPolarHBondContact O-CG 3.44Å; K615-K619 PolarHBondContact O-N 2.94Å; K615-K619 VanDerWaalsContact O-N 3.1Å
616L86.3Confident82.8Confident11 Ų1157.9 Ų57.96%0.05831%0.314CS..Hα-helixtrans-67.8-43.8175.1177.964.6000111.3L583 I586 N587 I598 D612 T613 I614 D618 K619 L620L583-L616 HydrophobicContact CD2-CD2 3.84Å; I586-L616 HydrophobicContact CB-CD2 4.33Å; I586-L616 HydrophobicContact CG2-CD1 4.47Å; I586-L616 HydrophobicContact CG2-CD2 3.59Å; N587-L616 HydrophobicContact CB-CD1 4.43Å; I598-L616 HydrophobicContact CD1-CD2 4.02Å; D612-L616 PolarHBondContact O-N 2.76Å; T613-L616 WeakPolarHBondContact O-CB 3.49Å; T613-L616 PolarHBondContact O-N 3.32Å; I614-L616 PolarHBondContact O-N 3.08Å; L616-D618 VanDerWaalsContact C-N 3.34Å; L616-D618 PolarHBondContact O-N 3.14Å; L616-K619 WeakPolarHBondContact O-CB 3.43Å; L616-K619 PolarHBondContact O-N 3.4Å; L616-L620 HydrophobicContact CG-CD1 4.44Å; L616-L620 WeakPolarHBondContact O-CG 3.48Å; L616-L620 PolarHBondContact O-N 2.7Å
617L84.9Confident82.2Confident5 Ų562.7 Ų62.73%0.02635%0.348CS..Hα-helixtrans-60.4-43.2174.3-69.6175.9000111.8I598 T613 I614 K619 L620 C621 F634 V637 F638 F648I598-L617 HydrophobicContact CG1-CD2 3.92Å; T613-L617 WeakPolarHBondContact O-CG 3.34Å; T613-L617 PolarHBondContact O-N 2.96Å; I614-L617 WeakPolarHBondContact O-CB 3.5Å; I614-L617 PolarHBondContact O-N 3.44Å; I614-L617 VanDerWaalsContact O-N 3.15Å; L617-K619 VanDerWaalsContact C-N 3.31Å; L617-K619 PolarHBondContact O-N 2.88Å; L617-L620 PolarHBondContact O-N 2.98Å; L617-C621 PolarHBondContact O-N 2.88Å; L617-C621 PolarHBondContact O-SG 3.15Å; L617-F634 HydrophobicContact CD2-CE1 4.5Å; L617-V637 HydrophobicContact CD1-CG1 4.22Å; L617-F638 HydrophobicContact CD1-CE2 3.73Å; L617-F638 HydrophobicContact CD1-CZ 4.04Å; L617-F648 HydrophobicContact CB-CE2 3.91Å; L617-F648 HydrophobicContact CB-CZ 4.04Å; L617-F648 HydrophobicContact CD1-CE2 4.2Å; L617-F648 HydrophobicContact CD1-CZ 4.26Å
618D84.4Confident81.9Confident58 Ų5863.9 Ų63.931%0.3134%0.34SS..Hα-helixtrans-59.9-42.5176.4-66.7-34.6000111.1I614 L616 C621 A622 R651I614-D618 VanDerWaalsContact O-CG 3.31Å; I614-D618 PolarHBondContact O-N 3.48Å; L616-D618 VanDerWaalsContact C-N 3.34Å; L616-D618 PolarHBondContact O-N 3.14Å; D618-C621 PolarHBondContact O-N 3.44Å; D618-A622 WeakPolarHBondContact O-CB 3.46Å; D618-A622 PolarHBondContact O-N 2.91Å; D618-R651 IonicContact OD1-CZ 3.55Å; D618-R651 IonicContact OD1-NH2 2.72Å; D618-R651 PolarHBondContact OD1-NH2 3.43Å; D618-R651 IonicContact OD2-CZ 3.6Å; D618-R651 IonicContact OD2-NH2 2.8Å; D618-R651 PolarHBondContact OD2-NH2 3.13Å
619K84.1Confident81.9Confident121 Ų12159.7 Ų59.753%0.52633%0.325SS..Hα-helixtrans-63.7-42.5175.3-77.4173.7175.1174.50112.9N587 K615 L616 L617 C621 A622 H623N587-K619 PolarHBondContact OD1-NZ 3.27Å; K615-K619 WeakPolarHBondContact O-CG 3.44Å; K615-K619 PolarHBondContact O-N 2.94Å; K615-K619 VanDerWaalsContact O-N 3.1Å; L616-K619 WeakPolarHBondContact O-CB 3.43Å; L616-K619 PolarHBondContact O-N 3.4Å; L617-K619 VanDerWaalsContact C-N 3.31Å; L617-K619 PolarHBondContact O-N 2.88Å; K619-C621 VanDerWaalsContact C-N 3.34Å; K619-A622 PolarHBondContact O-N 3.41Å; K619-H623 PolarHBondContact O-N 3.37Å
620L84Confident81.7Confident14 Ų1462.2 Ų62.27%0.07334%0.337CS..Hα-helixtrans-64.1-41.8176.8-70.4174.6000110.7F591 A594 I598 L616 L617 A622 H623 I629F591-L620 HydrophobicContact CD2-CD2 3.71Å; F591-L620 HydrophobicContact CE2-CB 4.24Å; F591-L620 HydrophobicContact CE2-CD2 3.86Å; F591-L620 WeakPolarHBondContact CE2-O 3.15Å; A594-L620 HydrophobicContact CB-CD2 4.08Å; I598-L620 HydrophobicContact CG2-CD1 4.12Å; L616-L620 HydrophobicContact CG-CD1 4.44Å; L616-L620 WeakPolarHBondContact O-CG 3.48Å; L616-L620 PolarHBondContact O-N 2.7Å; L617-L620 PolarHBondContact O-N 2.98Å; L620-A622 VanDerWaalsContact C-N 3.29Å; L620-A622 PolarHBondContact O-N 3.14Å; L620-H623 VanDerWaalsContact O-CB 3.26Å; L620-H623 WeakPolarHBondContact O-CB 3.31Å; L620-H623 PolarHBondContact O-N 3Å; L620-I629 HydrophobicContact CB-CD1 4.09Å
621C80.1Confident81.6Confident15 Ų1560 Ų6010%0.10132%0.322CS..Hα-helixtrans-71.1-24.6177.7-58.50000113.2L617 D618 K619 H623 A626 Y652L617-C621 PolarHBondContact O-N 2.88Å; L617-C621 PolarHBondContact O-SG 3.15Å; D618-C621 PolarHBondContact O-N 3.44Å; K619-C621 VanDerWaalsContact C-N 3.34Å; C621-H623 VanDerWaalsContact C-N 3.32Å; C621-A626 VanDerWaalsContact O-CB 3.24Å; C621-A626 WeakPolarHBondContact O-CB 3.37Å; C621-Y652 HydrophobicContact CB-CD2 4.23Å; C621-Y652 HydrophobicContact CB-CE2 3.39Å
622A80.7Confident81.4Confident86 Ų8658.1 Ų58.171%0.71131%0.313SS*.Hα-helixtrans-80.1-11.3173.100000113.7D618 K619 L620D618-A622 WeakPolarHBondContact O-CB 3.46Å; D618-A622 PolarHBondContact O-N 2.91Å; K619-A622 PolarHBondContact O-N 3.41Å; L620-A622 VanDerWaalsContact C-N 3.29Å; L620-A622 PolarHBondContact O-N 3.14Å
623H80.2Confident81.3Confident76 Ų7656.5 Ų56.535%0.35230%0.303SS..SBendtrans-70146.9-178.2-159.8-93.3000111.2F591 K619 L620 C621 D625 A626F591-H623 HydrophobicContact CD2-CB 3.7Å; F591-H623 AromaticContact CD2-CG 3.52Å; F591-H623 AromaticContact CD2-ND1 3.51Å; F591-H623 HydrophobicContact CE2-CB 3.67Å; F591-H623 AromaticContact CG-ND1 3.77Å; K619-H623 PolarHBondContact O-N 3.37Å; L620-H623 VanDerWaalsContact O-CB 3.26Å; L620-H623 WeakPolarHBondContact O-CB 3.31Å; L620-H623 PolarHBondContact O-N 3Å; C621-H623 VanDerWaalsContact C-N 3.32Å; H623-D625 IonicContact CE1-OD2 2.67Å; H623-D625 PolarHBondContact ND1-N 2.94Å; H623-D625 IonicContact ND1-OD2 2.88Å; H623-D625 PolarHBondContact O-N 3.33Å; H623-D625 VanDerWaalsContact O-N 3.16Å; H623-A626 WeakPolarHBondContact O-CB 3.47Å; H623-A626 PolarHBondContact O-N 2.9Å
624P75.5Confident81.2Confident115 Ų11556.7 Ų56.775%0.74730%0.304SS*.G310 helixtrans-55.8-30.9177.117.8-32.1000114.2A626P624-A626 VanDerWaalsContact C-N 3.26Å; P624-A626 PolarHBondContact O-N 3.23Å
625D76Confident81.1Confident51 Ų5157.9 Ų57.927%0.27331%0.311SS..G310 helixtrans-83.112.8176.1-71.6-67000114.4F591 H623 S627 R628F591-D625 HydrophobicContact CD1-CB 3.68Å; F591-D625 HydrophobicContact CE1-CB 3.61Å; F591-D625 WeakPolarHBondContact CE1-O 3.05Å; F591-D625 HydrophobicContact CG-CB 4.19Å; F591-D625 HydrophobicContact CZ-CB 4.08Å; F591-D625 WeakPolarHBondContact CZ-O 3.24Å; H623-D625 IonicContact CE1-OD2 2.67Å; H623-D625 PolarHBondContact ND1-N 2.94Å; H623-D625 IonicContact ND1-OD2 2.88Å; H623-D625 PolarHBondContact O-N 3.33Å; H623-D625 VanDerWaalsContact O-N 3.16Å; D625-S627 PolarHBondContact O-N 3.38Å; D625-R628 WeakPolarHBondContact O-CB 3.37Å; D625-R628 PolarHBondContact O-N 3.14Å; D625-R628 IonicContact OD1-CZ 2.71Å; D625-R628 IonicContact OD1-NE 3.79Å; D625-R628 PolarHBondContact OD1-NE 2.86Å; D625-R628 VanDerWaalsContact OD1-NE 3.12Å; D625-R628 IonicContact OD1-NH2 2.77Å; D625-R628 PolarHBondContact OD1-NH2 2.94Å
626A73Confident81Confident12 Ų1257.7 Ų57.710%0.09931%0.31CS..G310 helixtrans-56.2-20.5179.300000113.9C621 H623 P624 R628 I629C621-A626 VanDerWaalsContact O-CB 3.24Å; C621-A626 WeakPolarHBondContact O-CB 3.37Å; H623-A626 WeakPolarHBondContact O-CB 3.47Å; H623-A626 PolarHBondContact O-N 2.9Å; P624-A626 VanDerWaalsContact C-N 3.26Å; P624-A626 PolarHBondContact O-N 3.23Å; A626-R628 PolarHBondContact O-N 3.17Å; A626-R628 VanDerWaalsContact O-N 3.14Å; A626-I629 HydrophobicContact CB-CD1 4.42Å; A626-I629 WeakPolarHBondContact O-CB 3.34Å; A626-I629 PolarHBondContact O-N 3.17Å
627S71.7Confident80.9Confident108 Ų10857.1 Ų57.176%0.75531%0.307SS*.G310 helixtrans-57.8-21.7172.257.30000114.2D625D625-S627 PolarHBondContact O-N 3.38Å
628R78.4Confident80.9Confident139 Ų13957.3 Ų57.353%0.52531%0.307SS..G310 helixtrans-82.8-16177-54.9-178.9-160.7-137.93.1113.1F591 D625 A626 N630F591-R628 HydrophobicContact CE1-CB 4.28Å; D625-R628 WeakPolarHBondContact O-CB 3.37Å; D625-R628 PolarHBondContact O-N 3.14Å; D625-R628 IonicContact OD1-CZ 2.71Å; D625-R628 IonicContact OD1-NE 3.79Å; D625-R628 PolarHBondContact OD1-NE 2.86Å; D625-R628 VanDerWaalsContact OD1-NE 3.12Å; D625-R628 IonicContact OD1-NH2 2.77Å; D625-R628 PolarHBondContact OD1-NH2 2.94Å; A626-R628 PolarHBondContact O-N 3.17Å; A626-R628 VanDerWaalsContact O-N 3.14Å; R628-N630 PolarHBondContact O-N 3.02Å
629I82.2Confident80.7Confident8 Ų857.9 Ų57.94%0.04131%0.313CS..  trans-73.6125.5176.7-55.9176.1000107.3F591 L595 L620 A626 F634 V662F591-I629 HydrophobicContact CE2-CD1 4.27Å; F591-I629 HydrophobicContact CZ-CD1 4Å; F591-I629 HydrophobicContact CZ-CG1 3.84Å; L595-I629 HydrophobicContact CD1-CG1 4.3Å; L595-I629 HydrophobicContact CD2-CG1 4.5Å; L620-I629 HydrophobicContact CB-CD1 4.09Å; A626-I629 HydrophobicContact CB-CD1 4.42Å; A626-I629 WeakPolarHBondContact O-CB 3.34Å; A626-I629 PolarHBondContact O-N 3.17Å; I629-F634 HydrophobicContact CG2-CE1 4.12Å; I629-F634 HydrophobicContact CG2-CE2 3.99Å; I629-F634 HydrophobicContact CG2-CZ 3.56Å; I629-V662 HydrophobicContact CB-CG2 4.02Å; I629-V662 HydrophobicContact CG2-CG2 4.2Å; I629-V662 WeakPolarHBondContact O-CG1 3.09Å
630N80.9Confident80.3Confident71 Ų7159.8 Ų59.838%0.3833%0.329SS..  trans-106.9166.9168.765.341.2000111.2R628 Q632 H633R628-N630 PolarHBondContact O-N 3.02Å; N630-Q632 PolarHBondContact O-N 3.35Å; N630-Q632 WeakPolarHBondContact OD1-CA 3.39Å; N630-Q632 VanDerWaalsContact OD1-CB 3.25Å; N630-Q632 WeakPolarHBondContact OD1-CB 3.47Å; N630-Q632 PolarHBondContact OD1-N 3.08Å; N630-H633 PolarHBondContact N-ND1 2.79Å; N630-H633 PolarHBondContact ND2-CE1 2.94Å; N630-H633 PolarHBondContact O-N 3.14Å; N630-H633 PolarHBondContact O-ND1 2.64Å; N630-H633 PolarHBondContact OD1-CE1 3.46Å; N630-H633 VanDerWaalsContact OD1-CE1 3.27Å; N630-H633 PolarHBondContact OD1-N 3.27Å; N630-H633 PolarHBondContact OD1-ND1 3.33Å
631V80.4Confident80.3Confident19 Ų1962.1 Ų62.112%0.11534%0.341CS..Hα-helixtrans-57.8-35.5174.9169.20000113H633 F634 L635 T663 G664 V665 T668V631-H633 PolarHBondContact O-N 3.24Å; V631-H633 VanDerWaalsContact O-N 3.17Å; V631-F634 PolarHBondContact O-N 2.93Å; V631-L635 HydrophobicContact CG1-CD1 3.85Å; V631-L635 HydrophobicContact CG1-CG 4.04Å; V631-L635 PolarHBondContact O-N 3.04Å; V631-T663 WeakPolarHBondContact CG2-O 2.99Å; V631-G664 WeakPolarHBondContact CG2-O 3.49Å; V631-V665 HydrophobicContact CG2-CG2 3.98Å; V631-T668 HydrophobicContact CG1-CG2 3.86Å; V631-T668 WeakPolarHBondContact CG1-OG1 3.38Å
632Q81.1Confident80.4Confident102 Ų10264.7 Ų64.748%0.47736%0.358SS..Hα-helixtrans-60-29.9-176.9-17261.347.500111.8N630 K636N630-Q632 PolarHBondContact O-N 3.35Å; N630-Q632 WeakPolarHBondContact OD1-CA 3.39Å; N630-Q632 VanDerWaalsContact OD1-CB 3.25Å; N630-Q632 WeakPolarHBondContact OD1-CB 3.47Å; N630-Q632 PolarHBondContact OD1-N 3.08Å; Q632-K636 WeakPolarHBondContact O-CG 3.19Å; Q632-K636 PolarHBondContact O-N 3.35Å
633H83.3Confident80.4Confident32 Ų3266 Ų6615%0.14835%0.348CS..Hα-helixtrans-63-46.7172.4-54.8127.6000111.4L595 S599 N630 V631 L635 K636 V637L595-H633 HydrophobicContact CD1-CB 4.41Å; S599-H633 PolarHBondContact OG-CD2 3.25Å; N630-H633 PolarHBondContact N-ND1 2.79Å; N630-H633 PolarHBondContact ND2-CE1 2.94Å; N630-H633 PolarHBondContact O-N 3.14Å; N630-H633 PolarHBondContact O-ND1 2.64Å; N630-H633 PolarHBondContact OD1-CE1 3.46Å; N630-H633 VanDerWaalsContact OD1-CE1 3.27Å; N630-H633 PolarHBondContact OD1-N 3.27Å; N630-H633 PolarHBondContact OD1-ND1 3.33Å; V631-H633 PolarHBondContact O-N 3.24Å; V631-H633 VanDerWaalsContact O-N 3.17Å; H633-L635 PolarHBondContact O-N 2.82Å; H633-K636 PolarHBondContact O-N 3.13Å; H633-V637 VanDerWaalsContact O-CG2 3.31Å; H633-V637 WeakPolarHBondContact O-CG2 3.25Å; H633-V637 PolarHBondContact O-N 2.95Å
634F84.8Confident80.5Confident5 Ų563 Ų632%0.02234%0.337CS..Hα-helixtrans-64.8-41.3177.7-55.3-52.8000112.1L617 I629 V631 K636 V637 F638 L645 F648 L649 V662 V665L617-F634 HydrophobicContact CD2-CE1 4.5Å; I629-F634 HydrophobicContact CG2-CE1 4.12Å; I629-F634 HydrophobicContact CG2-CE2 3.99Å; I629-F634 HydrophobicContact CG2-CZ 3.56Å; V631-F634 PolarHBondContact O-N 2.93Å; F634-K636 VanDerWaalsContact C-N 3.27Å; F634-K636 PolarHBondContact O-N 3.04Å; F634-V637 PolarHBondContact O-N 2.97Å; F634-V637 VanDerWaalsContact O-N 3.13Å; F634-F638 WeakPolarHBondContact O-CD2 3.26Å; F634-F638 PolarHBondContact O-N 3.25Å; F634-L645 HydrophobicContact CB-CD1 3.94Å; F634-F648 HydrophobicContact CD1-CD1 4.46Å; F634-F648 AromaticContact CD1-CE1 3.59Å; F634-F648 HydrophobicContact CD1-CE1 3.59Å; F634-F648 HydrophobicContact CD1-CZ 4.19Å; F634-F648 AromaticContact CE1-CE1 3.56Å; F634-F648 HydrophobicContact CE1-CE1 3.56Å; F634-F648 AromaticContact CE1-CZ 3.8Å; F634-F648 HydrophobicContact CE1-CZ 3.8Å; F634-F648 HydrophobicContact CG-CE1 4.12Å; F634-F648 HydrophobicContact CZ-CE1 4.07Å; F634-F648 HydrophobicContact CZ-CZ 4.37Å; F634-L649 HydrophobicContact CD2-CD2 4.38Å; F634-V662 HydrophobicContact CE2-CB 4.47Å; F634-V662 HydrophobicContact CE2-CG1 4.3Å; F634-V665 HydrophobicContact CD2-CG2 4.43Å; F634-V665 HydrophobicContact CE2-CG2 4.09Å
635L84Confident81.1Confident63 Ų6357.9 Ų57.933%0.3330%0.303SS..Hα-helixtrans-60.3-36.9176-69.7173.2000112.2V631 H633 V639 L645 T668V631-L635 HydrophobicContact CG1-CD1 3.85Å; V631-L635 HydrophobicContact CG1-CG 4.04Å; V631-L635 PolarHBondContact O-N 3.04Å; H633-L635 PolarHBondContact O-N 2.82Å; L635-V639 VanDerWaalsContact O-CG2 3.26Å; L635-V639 WeakPolarHBondContact O-CG2 3.34Å; L635-V639 PolarHBondContact O-N 3.48Å; L635-L645 HydrophobicContact CD2-CD2 3.72Å; L635-T668 HydrophobicContact CD2-CG2 4.14Å
636K85.3Confident81.4Confident100 Ų10056.9 Ų56.944%0.43530%0.298SS..Hα-helixtrans-70.4-34.6174.5-76.1-179.8177.5-173.70113.1Q632 H633 F634 V639Q632-K636 WeakPolarHBondContact O-CG 3.19Å; Q632-K636 PolarHBondContact O-N 3.35Å; H633-K636 PolarHBondContact O-N 3.13Å; F634-K636 VanDerWaalsContact C-N 3.27Å; F634-K636 PolarHBondContact O-N 3.04Å; K636-V639 VanDerWaalsContact O-CG2 3.25Å; K636-V639 WeakPolarHBondContact O-CG2 3.19Å
637V84.8Confident82Confident0 Ų062.8 Ų62.80%032%0.323CS..Hα-helixtrans-72-45.6178.31760000111I598 H603 I606 T613 L617 H633 F634 V639I598-V637 HydrophobicContact CG1-CG2 3.98Å; I598-V637 WeakPolarHBondContact O-CG2 3.24Å; H603-V637 VanDerWaalsContact CA-O 3.24Å; H603-V637 WeakPolarHBondContact CA-O 3.44Å; I606-V637 HydrophobicContact CB-CG1 4.38Å; I606-V637 WeakPolarHBondContact CG2-O 3.35Å; T613-V637 HydrophobicContact CG2-CG1 4.48Å; L617-V637 HydrophobicContact CD1-CG1 4.22Å; H633-V637 VanDerWaalsContact O-CG2 3.31Å; H633-V637 WeakPolarHBondContact O-CG2 3.25Å; H633-V637 PolarHBondContact O-N 2.95Å; F634-V637 PolarHBondContact O-N 2.97Å; F634-V637 VanDerWaalsContact O-N 3.13Å; V637-V639 VanDerWaalsContact C-N 3.3Å; V637-V639 PolarHBondContact O-N 3.34Å
638F85Confident82.7Confident8 Ų857.9 Ų57.94%0.03529%0.288CS..THydrogen-bonded Turntrans-94.429.4-175.7-68-89.3000113.4I606 L617 F634 N640 N641 L645 F648I606-F638 HydrophobicContact CD1-CD1 4.46Å; I606-F638 HydrophobicContact CD1-CE1 3.69Å; I606-F638 HydrophobicContact CD1-CZ 3.95Å; I606-F638 HydrophobicContact CG1-CD1 4.09Å; I606-F638 HydrophobicContact CG1-CE1 3.8Å; I606-F638 HydrophobicContact CG1-CZ 4.45Å; L617-F638 HydrophobicContact CD1-CE2 3.73Å; L617-F638 HydrophobicContact CD1-CZ 4.04Å; F634-F638 WeakPolarHBondContact O-CD2 3.26Å; F634-F638 PolarHBondContact O-N 3.25Å; F638-N640 PolarHBondContact O-N 3.05Å; F638-N641 PolarHBondContact O-N 2.88Å; F638-L645 HydrophobicContact CB-CB 3.72Å; F638-L645 HydrophobicContact CB-CD1 4.22Å; F638-L645 HydrophobicContact CB-CD2 4.48Å; F638-L645 HydrophobicContact CB-CG 4.36Å; F638-L645 HydrophobicContact CD1-CB 4.33Å; F638-L645 HydrophobicContact CD2-CB 4.4Å; F638-L645 HydrophobicContact CD2-CD1 3.73Å; F638-L645 HydrophobicContact CE2-CD1 4.35Å; F638-L645 HydrophobicContact CG-CB 3.92Å; F638-L645 HydrophobicContact CG-CD1 4.12Å; F638-F648 HydrophobicContact CE1-CB 4.46Å; F638-F648 HydrophobicContact CE2-CB 4.23Å; F638-F648 AromaticContact CE2-CD1 4Å; F638-F648 HydrophobicContact CE2-CD1 4Å; F638-F648 HydrophobicContact CE2-CG 4.05Å; F638-F648 HydrophobicContact CZ-CB 3.82Å; F638-F648 HydrophobicContact CZ-CD1 4.37Å; F638-F648 HydrophobicContact CZ-CD2 4.47Å; F638-F648 AromaticContact CZ-CG 3.96Å; F638-F648 HydrophobicContact CZ-CG 3.96Å
639V78.4Confident83Confident71 Ų7151.4 Ų51.443%0.4326%0.264SS..THydrogen-bonded Turntrans-54.2128.8173.7173.90000109.1H603 L635 K636 V637 N641H603-V639 HydrophobicContact CB-CB 4.31Å; L635-V639 VanDerWaalsContact O-CG2 3.26Å; L635-V639 WeakPolarHBondContact O-CG2 3.34Å; L635-V639 PolarHBondContact O-N 3.48Å; K636-V639 VanDerWaalsContact O-CG2 3.25Å; K636-V639 WeakPolarHBondContact O-CG2 3.19Å; V637-V639 VanDerWaalsContact C-N 3.3Å; V637-V639 PolarHBondContact O-N 3.34Å; V639-N641 PolarHBondContact O-N 3.25Å
640N77.1Confident83.2Confident160 Ų16053.5 Ų53.586%0.85628%0.275SS*.THydrogen-bonded Turntrans64.112.9-175.1-55.4-28.7000116F638F638-N640 PolarHBondContact O-N 3.05Å
641N83.6Confident83.4Confident63 Ų6354.9 Ų54.934%0.33728%0.275SS..  trans-131.269.4175.3-166.6-10.9000112.1F638 V639 K643 G644 L645F638-N641 PolarHBondContact O-N 2.88Å; V639-N641 PolarHBondContact O-N 3.25Å; N641-K643 VanDerWaalsContact C-N 3.33Å; N641-K643 PolarHBondContact O-N 3.05Å; N641-G644 PolarHBondContact O-N 3.32Å; N641-G644 WeakPolarHBondContact OD1-CA 3.4Å; N641-G644 PolarHBondContact OD1-N 3Å; N641-L645 PolarHBondContact O-N 3.28Å
642P81.1Confident83.5Confident69 Ų6954.6 Ų54.645%0.44827%0.272SS..Hα-helixtrans-65.5-35.1-178.126.6-34.2000112.5L645 M646P642-L645 PolarHBondContact O-N 3.42Å; P642-M646 WeakPolarHBondContact O-CB 3.01Å; P642-M646 PolarHBondContact O-N 3.43Å
643K81.3Confident83.5Confident115 Ų11550.5 Ų50.550%0.525%0.253SS..Hα-helixtrans-65.2-43.7177.9-68.3-169.9173.2-165.60111.9N641 L645 M646 Q647 E676N641-K643 VanDerWaalsContact C-N 3.33Å; N641-K643 PolarHBondContact O-N 3.05Å; K643-L645 VanDerWaalsContact C-N 3.35Å; K643-M646 PolarHBondContact O-N 2.99Å; K643-Q647 WeakPolarHBondContact O-CG 3.36Å; K643-Q647 PolarHBondContact O-N 3.21Å; K643-E676 WeakPolarHBondContact CE-OE1 3.25Å
644G82.6Confident83.4Confident13 Ų1354.5 Ų54.513%0.13428%0.276CS..Hα-helixtrans-64.5-39.4175.300000112.2N641 Q647 F648N641-G644 PolarHBondContact O-N 3.32Å; N641-G644 WeakPolarHBondContact OD1-CA 3.4Å; N641-G644 PolarHBondContact OD1-N 3Å; G644-Q647 PolarHBondContact O-N 3.48Å; G644-F648 WeakPolarHBondContact O-CB 3.36Å; G644-F648 PolarHBondContact O-N 3.09Å
645L87.3Confident83.1Confident6 Ų659.6 Ų59.63%0.03131%0.308CS..Hα-helixtrans-61.5-46.9173.2-178.257.9000111.3F634 L635 F638 N641 P642 K643 Q647 F648 L649 L672F634-L645 HydrophobicContact CB-CD1 3.94Å; L635-L645 HydrophobicContact CD2-CD2 3.72Å; F638-L645 HydrophobicContact CB-CB 3.72Å; F638-L645 HydrophobicContact CB-CD1 4.22Å; F638-L645 HydrophobicContact CB-CD2 4.48Å; F638-L645 HydrophobicContact CB-CG 4.36Å; F638-L645 HydrophobicContact CD1-CB 4.33Å; F638-L645 HydrophobicContact CD2-CB 4.4Å; F638-L645 HydrophobicContact CD2-CD1 3.73Å; F638-L645 HydrophobicContact CE2-CD1 4.35Å; F638-L645 HydrophobicContact CG-CB 3.92Å; F638-L645 HydrophobicContact CG-CD1 4.12Å; N641-L645 PolarHBondContact O-N 3.28Å; P642-L645 PolarHBondContact O-N 3.42Å; K643-L645 VanDerWaalsContact C-N 3.35Å; L645-Q647 PolarHBondContact O-N 3.23Å; L645-F648 PolarHBondContact O-N 3.45Å; L645-L649 HydrophobicContact CD1-CD1 4.04Å; L645-L649 HydrophobicContact CD1-CD2 4.2Å; L645-L649 HydrophobicContact CD1-CG 3.88Å; L645-L649 HydrophobicContact CG-CD1 4.04Å; L645-L649 HydrophobicContact CG-CG 4.24Å; L645-L649 WeakPolarHBondContact O-CB 3.42Å; L645-L649 VanDerWaalsContact O-CG 3.3Å; L645-L649 WeakPolarHBondContact O-CG 3.42Å; L645-L649 PolarHBondContact O-N 3.48Å; L645-L672 HydrophobicContact CD2-CD1 3.59Å; L645-L672 HydrophobicContact CG-CD1 3.78Å
646M83.6Confident82.4Confident31 Ų3157.8 Ų57.815%0.15330%0.302CS..Hα-helixtrans-59-46.7178.7-172.3177.663.100111.8P642 K643 F648 L649 D650 F669 L673 E676 L694P642-M646 WeakPolarHBondContact O-CB 3.01Å; P642-M646 PolarHBondContact O-N 3.43Å; K643-M646 PolarHBondContact O-N 2.99Å; M646-F648 PolarHBondContact O-N 3.01Å; M646-L649 PolarHBondContact O-N 3.34Å; M646-D650 WeakPolarHBondContact O-CB 3.3Å; M646-D650 PolarHBondContact O-N 3.07Å; M646-F669 HydrophobicContact CG-CD2 4.34Å; M646-F669 HydrophobicContact CG-CE2 3.72Å; M646-L673 HydrophobicContact CG-CD2 4.38Å; M646-L673 HydrophobicContact SD-CD2 3.85Å; M646-E676 WeakPolarHBondContact CE-OE2 3.39Å; M646-E676 VanDerWaalsContact SD-OE2 3.34Å; M646-L694 HydrophobicContact SD-CD2 4.24Å
647Q84.6Confident81.6Confident136 Ų13655.4 Ų55.464%0.63630%0.298SS*.Hα-helixtrans-63.2-40.1176.4-71175.52.500112.7K643 G644 L645 R651K643-Q647 WeakPolarHBondContact O-CG 3.36Å; K643-Q647 PolarHBondContact O-N 3.21Å; G644-Q647 PolarHBondContact O-N 3.48Å; L645-Q647 PolarHBondContact O-N 3.23Å; Q647-R651 WeakPolarHBondContact O-CB 3.48Å; Q647-R651 PolarHBondContact O-N 2.95Å; Q647-R651 VanDerWaalsContact O-N 3.09Å
648F86.1Confident80.5Confident5 Ų558 Ų582%0.02231%0.314CS..Hα-helixtrans-65.1-46.6176.3171.7-101.2000111.4L617 F634 F638 G644 L645 M646 R651 Y652L617-F648 HydrophobicContact CB-CE2 3.91Å; L617-F648 HydrophobicContact CB-CZ 4.04Å; L617-F648 HydrophobicContact CD1-CE2 4.2Å; L617-F648 HydrophobicContact CD1-CZ 4.26Å; F634-F648 HydrophobicContact CD1-CD1 4.46Å; F634-F648 AromaticContact CD1-CE1 3.59Å; F634-F648 HydrophobicContact CD1-CE1 3.59Å; F634-F648 HydrophobicContact CD1-CZ 4.19Å; F634-F648 AromaticContact CE1-CE1 3.56Å; F634-F648 HydrophobicContact CE1-CE1 3.56Å; F634-F648 AromaticContact CE1-CZ 3.8Å; F634-F648 HydrophobicContact CE1-CZ 3.8Å; F634-F648 HydrophobicContact CG-CE1 4.12Å; F634-F648 HydrophobicContact CZ-CE1 4.07Å; F634-F648 HydrophobicContact CZ-CZ 4.37Å; F638-F648 HydrophobicContact CE1-CB 4.46Å; F638-F648 HydrophobicContact CE2-CB 4.23Å; F638-F648 AromaticContact CE2-CD1 4Å; F638-F648 HydrophobicContact CE2-CD1 4Å; F638-F648 HydrophobicContact CE2-CG 4.05Å; F638-F648 HydrophobicContact CZ-CB 3.82Å; F638-F648 HydrophobicContact CZ-CD1 4.37Å; F638-F648 HydrophobicContact CZ-CD2 4.47Å; F638-F648 AromaticContact CZ-CG 3.96Å; F638-F648 HydrophobicContact CZ-CG 3.96Å; G644-F648 WeakPolarHBondContact O-CB 3.36Å; G644-F648 PolarHBondContact O-N 3.09Å; L645-F648 PolarHBondContact O-N 3.45Å; M646-F648 PolarHBondContact O-N 3.01Å; F648-R651 PolarHBondContact O-N 2.88Å; F648-Y652 WeakPolarHBondContact O-CB 3.26Å; F648-Y652 PolarHBondContact O-N 2.91Å
649L86.1Confident79.4Confident3 Ų362.7 Ų62.72%0.01635%0.348CS..Hα-helixtrans-65.8-41.9180-66.6-175.7000111.9F634 L645 M646 Y652 I653 V665 T668 F669 L672F634-L649 HydrophobicContact CD2-CD2 4.38Å; L645-L649 HydrophobicContact CD1-CD1 4.04Å; L645-L649 HydrophobicContact CD1-CD2 4.2Å; L645-L649 HydrophobicContact CD1-CG 3.88Å; L645-L649 HydrophobicContact CG-CD1 4.04Å; L645-L649 HydrophobicContact CG-CG 4.24Å; L645-L649 WeakPolarHBondContact O-CB 3.42Å; L645-L649 VanDerWaalsContact O-CG 3.3Å; L645-L649 WeakPolarHBondContact O-CG 3.42Å; L645-L649 PolarHBondContact O-N 3.48Å; M646-L649 PolarHBondContact O-N 3.34Å; L649-Y652 PolarHBondContact O-N 3.29Å; L649-I653 WeakPolarHBondContact O-CB 3.49Å; L649-I653 WeakPolarHBondContact O-CD1 3.21Å; L649-I653 WeakPolarHBondContact O-CG1 3.48Å; L649-I653 PolarHBondContact O-N 3Å; L649-V665 HydrophobicContact CD2-CG1 4.01Å; L649-V665 HydrophobicContact CD2-CG2 4.47Å; L649-T668 HydrophobicContact CD1-CG2 4.47Å; L649-F669 HydrophobicContact CB-CB 4.37Å; L649-F669 HydrophobicContact CB-CD2 3.79Å; L649-F669 HydrophobicContact CB-CE2 4.41Å; L649-F669 HydrophobicContact CB-CG 4.27Å; L649-F669 HydrophobicContact CD1-CB 4.09Å; L649-F669 HydrophobicContact CD1-CD2 4.38Å; L649-L672 HydrophobicContact CD1-CD1 3.97Å
650D85.6Confident78.9Confident52 Ų5266.6 Ų66.628%0.27836%0.359SS..Hα-helixtrans-58.1-51.7174.6177.744.4000111.1M646 Y652 I653 N654 F669 M697M646-D650 WeakPolarHBondContact O-CB 3.3Å; M646-D650 PolarHBondContact O-N 3.07Å; D650-Y652 VanDerWaalsContact C-N 3.29Å; D650-Y652 PolarHBondContact O-N 2.89Å; D650-I653 PolarHBondContact O-N 3.44Å; D650-N654 WeakPolarHBondContact O-CB 3.41Å; D650-N654 PolarHBondContact O-N 3.06Å; D650-N654 PolarHBondContact O-ND2 2.85Å; D650-N654 PolarHBondContact OD1-ND2 3.34Å; D650-F669 HydrophobicContact CB-CE2 4.03Å; D650-F669 HydrophobicContact CB-CZ 3.79Å; D650-M697 HydrophobicContact CB-CE 4.21Å; D650-M697 VanDerWaalsContact CG-CE 3.43Å; D650-M697 WeakPolarHBondContact OD1-CE 3.38Å
651R84.9Confident78.5Confident99 Ų9960.6 Ų60.637%0.37433%0.327SS..Hα-helixtrans-61.3-39.5176.8-167-178.169.7175.713.8111.9D618 Q647 F648 N654 T655D618-R651 IonicContact OD1-CZ 3.55Å; D618-R651 IonicContact OD1-NH2 2.72Å; D618-R651 PolarHBondContact OD1-NH2 3.43Å; D618-R651 IonicContact OD2-CZ 3.6Å; D618-R651 IonicContact OD2-NH2 2.8Å; D618-R651 PolarHBondContact OD2-NH2 3.13Å; Q647-R651 WeakPolarHBondContact O-CB 3.48Å; Q647-R651 PolarHBondContact O-N 2.95Å; Q647-R651 VanDerWaalsContact O-N 3.09Å; F648-R651 PolarHBondContact O-N 2.88Å; R651-N654 PolarHBondContact O-N 3.4Å; R651-T655 WeakPolarHBondContact O-CB 3.4Å; R651-T655 PolarHBondContact O-N 3.23Å; R651-T655 PolarHBondContact O-OG1 3.42Å
652Y82.8Confident77.8Confident13 Ų1358 Ų585%0.05131%0.314CS..Hα-helixtrans-65.8-45.3-179.8-177.6-121.8000112C621 F648 L649 D650 N654 T655 A656 L661 V662 V665C621-Y652 HydrophobicContact CB-CD2 4.23Å; C621-Y652 HydrophobicContact CB-CE2 3.39Å; F648-Y652 WeakPolarHBondContact O-CB 3.26Å; F648-Y652 PolarHBondContact O-N 2.91Å; L649-Y652 PolarHBondContact O-N 3.29Å; D650-Y652 VanDerWaalsContact C-N 3.29Å; D650-Y652 PolarHBondContact O-N 2.89Å; Y652-N654 VanDerWaalsContact C-N 3.31Å; Y652-N654 PolarHBondContact O-N 3.37Å; Y652-T655 PolarHBondContact O-N 2.81Å; Y652-A656 HydrophobicContact CD2-CB 4.33Å; Y652-A656 HydrophobicContact CE2-CB 3.97Å; Y652-A656 VanDerWaalsContact O-CB 3.26Å; Y652-A656 WeakPolarHBondContact O-CB 3.39Å; Y652-A656 PolarHBondContact O-N 2.92Å; Y652-L661 HydrophobicContact CD1-CD2 4.37Å; Y652-L661 HydrophobicContact CE1-CD2 4.13Å; Y652-V662 HydrophobicContact CE1-CB 4.45Å; Y652-V662 HydrophobicContact CE1-CG2 4.33Å; Y652-V665 HydrophobicContact CD1-CG1 4.32Å; Y652-V665 HydrophobicContact CE1-CG2 4.41Å
653I81.5Confident77.4Confident16 Ų1661 Ų618%0.08233%0.33CS..Hα-helixtrans-61.7-40.9177.1-68.8164.7000110.8L649 D650 V665 F669 L701 L707L649-I653 WeakPolarHBondContact O-CB 3.49Å; L649-I653 WeakPolarHBondContact O-CD1 3.21Å; L649-I653 WeakPolarHBondContact O-CG1 3.48Å; L649-I653 PolarHBondContact O-N 3Å; D650-I653 PolarHBondContact O-N 3.44Å; I653-V665 HydrophobicContact CD1-CG1 3.97Å; I653-V665 HydrophobicContact CG1-CG1 3.84Å; I653-F669 HydrophobicContact CD1-CB 4.03Å; I653-F669 HydrophobicContact CD1-CD1 3.46Å; I653-F669 VanDerWaalsContact CD1-CD1 3.46Å; I653-F669 HydrophobicContact CD1-CE1 4.07Å; I653-F669 HydrophobicContact CD1-CG 3.85Å; I653-L701 HydrophobicContact CD1-CD1 4.4Å; I653-L707 HydrophobicContact CG2-CD1 4.35Å; I653-L707 HydrophobicContact CG2-CD2 4.09Å
654N80.7Confident77.1Confident117 Ų11756.5 Ų56.563%0.62632%0.317SS*.Hα-helixtrans-78.5-23.2-179.2-66.4-38.5000113.9D650 R651 Y652D650-N654 WeakPolarHBondContact O-CB 3.41Å; D650-N654 PolarHBondContact O-N 3.06Å; D650-N654 PolarHBondContact O-ND2 2.85Å; D650-N654 PolarHBondContact OD1-ND2 3.34Å; R651-N654 PolarHBondContact O-N 3.4Å; Y652-N654 VanDerWaalsContact C-N 3.31Å; Y652-N654 PolarHBondContact O-N 3.37Å
655T79Confident77.1Confident112 Ų11255.9 Ų55.969%0.68731%0.311SS*.Hα-helixtrans-92.7-35.5-177.7-54.70000112.3R651 Y652R651-T655 WeakPolarHBondContact O-CB 3.4Å; R651-T655 PolarHBondContact O-N 3.23Å; R651-T655 PolarHBondContact O-OG1 3.42Å; Y652-T655 PolarHBondContact O-N 2.81Å
656A69.1Low76.9Confident25 Ų2556 Ų5621%0.20731%0.312CS..SBendtrans-82.2148.1-17600000111.9Y652 L661Y652-A656 HydrophobicContact CD2-CB 4.33Å; Y652-A656 HydrophobicContact CE2-CB 3.97Å; Y652-A656 VanDerWaalsContact O-CB 3.26Å; Y652-A656 WeakPolarHBondContact O-CB 3.39Å; Y652-A656 PolarHBondContact O-N 2.92Å; A656-L661 HydrophobicContact CB-CD2 3.82Å
657S68.9Low77Confident50 Ų5055.6 Ų55.635%0.3531%0.31SS..  trans-65.1135.7169.853.10000110.1S659 K660S657-S659 PolarHBondContact O-N 2.85Å; S657-K660 PolarHBondContact O-N 3.38Å; S657-K660 WeakPolarHBondContact OG-CD 3.44Å; S657-K660 WeakPolarHBondContact OG-CG 3.33Å
658P61.1Low77Confident54 Ų5450.2 Ų50.235%0.35129%0.287SS..G310 helixtrans-54.2-34.2-174-26.932.3000114.4K660 L661 E706P658-K660 PolarHBondContact O-N 3.42Å; P658-L661 PolarHBondContact O-N 3.25Å; P658-E706 WeakPolarHBondContact CB-O 3.42Å; P658-E706 HydrophobicContact CG-CB 4.29Å
659S63Low77.2Confident106 Ų10650.2 Ų50.274%0.74129%0.286SS*.G310 helixtrans-67.6-15.9178.358.20000114.9S657S657-S659 PolarHBondContact O-N 2.85Å
660K67.2Low77.3Confident153 Ų15350.1 Ų50.167%0.66529%0.286SS*.G310 helixtrans-109.97.2-177.1-63-174-175.8178.70113.2S657 P658S657-K660 PolarHBondContact O-N 3.38Å; S657-K660 WeakPolarHBondContact OG-CD 3.44Å; S657-K660 WeakPolarHBondContact OG-CG 3.33Å; P658-K660 PolarHBondContact O-N 3.42Å
661L68.4Low77.3Confident34 Ų3451.2 Ų51.218%0.17829%0.29CS..PPolyproline II helixtrans-66.5141.6179.5-71.1172.7000111Y652 A656 P658 L707Y652-L661 HydrophobicContact CD1-CD2 4.37Å; Y652-L661 HydrophobicContact CE1-CD2 4.13Å; A656-L661 HydrophobicContact CB-CD2 3.82Å; P658-L661 PolarHBondContact O-N 3.25Å; L661-L707 HydrophobicContact CD1-CD2 3.4Å
662V69.7Low77.4Confident10 Ų1048 Ų486%0.06128%0.28CS..PPolyproline II helixtrans-69.2133.6178.4164.40000109.7I629 F634 Y652 G664 V665I629-V662 HydrophobicContact CB-CG2 4.02Å; I629-V662 HydrophobicContact CG2-CG2 4.2Å; I629-V662 WeakPolarHBondContact O-CG1 3.09Å; F634-V662 HydrophobicContact CE2-CB 4.47Å; F634-V662 HydrophobicContact CE2-CG1 4.3Å; Y652-V662 HydrophobicContact CE1-CB 4.45Å; Y652-V662 HydrophobicContact CE1-CG2 4.33Å; V662-G664 PolarHBondContact O-N 3.17Å; V662-V665 HydrophobicContact CB-CG2 3.66Å; V662-V665 HydrophobicContact CG1-CG2 3.86Å; V662-V665 WeakPolarHBondContact O-CB 3.45Å; V662-V665 WeakPolarHBondContact O-CG2 3.01Å; V662-V665 PolarHBondContact O-N 3.14Å; V662-V665 VanDerWaalsContact O-N 3.14Å
663T71.9Confident77.7Confident130 Ų13047.4 Ų47.480%0.79828%0.277SS*.THydrogen-bonded Turntrans-54.9124.7179.9-50.60000111.6V631V631-T663 WeakPolarHBondContact CG2-O 2.99Å
664G75.7Confident78Confident21 Ų2146.6 Ų46.622%0.21627%0.273CS..THydrogen-bonded Turntrans88-2.8177.700000115.4V631 V662 V666 D667 T668V631-G664 WeakPolarHBondContact CG2-O 3.49Å; V662-G664 PolarHBondContact O-N 3.17Å; G664-V666 VanDerWaalsContact C-N 3.33Å; G664-V666 PolarHBondContact O-N 3.43Å; G664-D667 PolarHBondContact O-N 3.03Å; G664-T668 WeakPolarHBondContact O-CB 3.25Å; G664-T668 PolarHBondContact O-N 3.36Å; G664-T668 PolarHBondContact O-OG1 3.02Å
665V82.8Confident78.3Confident0 Ų046.6 Ų46.60%027%0.265CS..Hα-helixtrans-60.6-44.5177.9161.50000111.2V631 F634 L649 Y652 I653 V662 T668 F669V631-V665 HydrophobicContact CG2-CG2 3.98Å; F634-V665 HydrophobicContact CD2-CG2 4.43Å; F634-V665 HydrophobicContact CE2-CG2 4.09Å; L649-V665 HydrophobicContact CD2-CG1 4.01Å; L649-V665 HydrophobicContact CD2-CG2 4.47Å; Y652-V665 HydrophobicContact CD1-CG1 4.32Å; Y652-V665 HydrophobicContact CE1-CG2 4.41Å; I653-V665 HydrophobicContact CD1-CG1 3.97Å; I653-V665 HydrophobicContact CG1-CG1 3.84Å; V662-V665 HydrophobicContact CB-CG2 3.66Å; V662-V665 HydrophobicContact CG1-CG2 3.86Å; V662-V665 WeakPolarHBondContact O-CB 3.45Å; V662-V665 WeakPolarHBondContact O-CG2 3.01Å; V662-V665 PolarHBondContact O-N 3.14Å; V662-V665 VanDerWaalsContact O-N 3.14Å; V665-T668 PolarHBondContact O-N 3.27Å; V665-F669 VanDerWaalsContact O-CB 3.25Å; V665-F669 WeakPolarHBondContact O-CB 3.45Å; V665-F669 PolarHBondContact O-N 3.44Å
666V83.3Confident78.6Confident9 Ų942.3 Ų42.36%0.05524%0.237CC..Hα-helixtrans-62.9-44.3178.5-178.10000110.8G664 T668 F669 L670 L701 Y709G664-V666 VanDerWaalsContact C-N 3.33Å; G664-V666 PolarHBondContact O-N 3.43Å; V666-T668 VanDerWaalsContact C-N 3.34Å; V666-T668 PolarHBondContact O-N 3.34Å; V666-F669 PolarHBondContact O-N 3.36Å; V666-L670 VanDerWaalsContact O-CB 3.31Å; V666-L670 WeakPolarHBondContact O-CB 3.38Å; V666-L670 PolarHBondContact O-N 2.89Å; V666-L701 HydrophobicContact CG1-CD1 4.16Å; V666-L701 HydrophobicContact CG1-CD2 3.97Å; V666-L701 HydrophobicContact CG1-CG 3.97Å; V666-Y709 HydrophobicContact CG1-CD1 4.41Å; V666-Y709 HydrophobicContact CG1-CG 4.27Å
667D85.4Confident79.4Confident22 Ų2241.1 Ų41.112%0.11823%0.227CC..Hα-helixtrans-60.2-44.8178.2-54.5-22000111.3G664 L670 E671 I717G664-D667 PolarHBondContact O-N 3.03Å; D667-L670 PolarHBondContact O-N 3.38Å; D667-E671 PolarHBondContact O-N 3.42Å; D667-I717 HydrophobicContact CB-CD1 4.13Å
668T84.5Confident80.2Confident24 Ų2441 Ų4115%0.14722%0.223CC..Hα-helixtrans-70-40.3-179.5-50.50000111.5V631 L635 L649 G664 V665 V666 E671 L672V631-T668 HydrophobicContact CG1-CG2 3.86Å; V631-T668 WeakPolarHBondContact CG1-OG1 3.38Å; L635-T668 HydrophobicContact CD2-CG2 4.14Å; L649-T668 HydrophobicContact CD1-CG2 4.47Å; G664-T668 WeakPolarHBondContact O-CB 3.25Å; G664-T668 PolarHBondContact O-N 3.36Å; G664-T668 PolarHBondContact O-OG1 3.02Å; V665-T668 PolarHBondContact O-N 3.27Å; V666-T668 VanDerWaalsContact C-N 3.34Å; V666-T668 PolarHBondContact O-N 3.34Å; T668-E671 PolarHBondContact O-N 2.85Å; T668-L672 HydrophobicContact CG2-CD1 4.16Å; T668-L672 WeakPolarHBondContact O-CB 3.25Å; T668-L672 VanDerWaalsContact O-CG 3.25Å; T668-L672 WeakPolarHBondContact O-CG 3.31Å; T668-L672 PolarHBondContact O-N 2.85Å
669F89.7Confident81.3Confident4 Ų443 Ų432%0.01822%0.224CC..Hα-helixtrans-64.7-43.4176-175.2-126.6000111.1M646 L649 D650 I653 V665 V666 E671 L672 L673 M697 L701M646-F669 HydrophobicContact CG-CD2 4.34Å; M646-F669 HydrophobicContact CG-CE2 3.72Å; L649-F669 HydrophobicContact CB-CB 4.37Å; L649-F669 HydrophobicContact CB-CD2 3.79Å; L649-F669 HydrophobicContact CB-CE2 4.41Å; L649-F669 HydrophobicContact CB-CG 4.27Å; L649-F669 HydrophobicContact CD1-CB 4.09Å; L649-F669 HydrophobicContact CD1-CD2 4.38Å; D650-F669 HydrophobicContact CB-CE2 4.03Å; D650-F669 HydrophobicContact CB-CZ 3.79Å; I653-F669 HydrophobicContact CD1-CB 4.03Å; I653-F669 HydrophobicContact CD1-CD1 3.46Å; I653-F669 VanDerWaalsContact CD1-CD1 3.46Å; I653-F669 HydrophobicContact CD1-CE1 4.07Å; I653-F669 HydrophobicContact CD1-CG 3.85Å; V665-F669 VanDerWaalsContact O-CB 3.25Å; V665-F669 WeakPolarHBondContact O-CB 3.45Å; V665-F669 PolarHBondContact O-N 3.44Å; V666-F669 PolarHBondContact O-N 3.36Å; F669-E671 PolarHBondContact O-N 3.3Å; F669-L672 PolarHBondContact O-N 2.94Å; F669-L673 HydrophobicContact CD1-CD1 3.92Å; F669-L673 HydrophobicContact CD2-CG 4.33Å; F669-L673 HydrophobicContact CE1-CD1 3.61Å; F669-L673 HydrophobicContact CE1-CG 4.28Å; F669-L673 HydrophobicContact CE2-CD1 4.3Å; F669-L673 HydrophobicContact CE2-CD2 4.13Å; F669-L673 HydrophobicContact CE2-CG 4.07Å; F669-L673 HydrophobicContact CG-CD1 4.39Å; F669-L673 HydrophobicContact CZ-CD1 3.81Å; F669-L673 HydrophobicContact CZ-CD2 4.03Å; F669-L673 HydrophobicContact CZ-CG 4.03Å; F669-L673 WeakPolarHBondContact O-CB 3.49Å; F669-L673 WeakPolarHBondContact O-CG 3.16Å; F669-L673 PolarHBondContact O-N 3.34Å; F669-M697 HydrophobicContact CE1-CE 4.26Å; F669-M697 HydrophobicContact CZ-CE 3.74Å; F669-M697 HydrophobicContact CZ-SD 4.25Å; F669-L701 HydrophobicContact CD1-CD1 3.92Å; F669-L701 HydrophobicContact CD1-CD2 3.66Å; F669-L701 HydrophobicContact CD1-CG 4.42Å; F669-L701 HydrophobicContact CE1-CD1 4.21Å; F669-L701 HydrophobicContact CE1-CD2 4.32Å
670L87.7Confident82.2Confident2 Ų238.7 Ų38.71%0.0119%0.192CC..Hα-helixtrans-59.1-46.2173.7-179.164.4000111.4V666 D667 L672 L673 L674 A698 L701 L702 A714 I717V666-L670 VanDerWaalsContact O-CB 3.31Å; V666-L670 WeakPolarHBondContact O-CB 3.38Å; V666-L670 PolarHBondContact O-N 2.89Å; D667-L670 PolarHBondContact O-N 3.38Å; L670-L672 VanDerWaalsContact C-N 3.34Å; L670-L672 PolarHBondContact O-N 3.27Å; L670-L673 PolarHBondContact O-N 3.47Å; L670-L674 HydrophobicContact CD1-CD1 4.07Å; L670-L674 HydrophobicContact CD1-CG 4.26Å; L670-L674 HydrophobicContact CG-CD1 4.14Å; L670-L674 WeakPolarHBondContact O-CB 3.36Å; L670-L674 VanDerWaalsContact O-CG 3.32Å; L670-L674 WeakPolarHBondContact O-CG 3.44Å; L670-L674 PolarHBondContact O-N 3.2Å; L670-A698 HydrophobicContact CD1-CB 3.93Å; L670-L701 HydrophobicContact CB-CD2 3.98Å; L670-L701 HydrophobicContact CD1-CD2 4.37Å; L670-L702 HydrophobicContact CD1-CG 4.39Å; L670-L702 HydrophobicContact CD2-CD2 3.98Å; L670-A714 HydrophobicContact CD2-CB 4.11Å; L670-I717 HydrophobicContact CD2-CG2 4.41Å; L670-I717 HydrophobicContact CG-CG2 4.34Å
671E86.6Confident82.8Confident75 Ų7536.5 Ų36.535%0.3518%0.184SC..Hα-helixtrans-61.5-42.8176.9-176173.2-172.600111.9D667 T668 F669 L674 Y675 I717 R721D667-E671 PolarHBondContact O-N 3.42Å; T668-E671 PolarHBondContact O-N 2.85Å; F669-E671 PolarHBondContact O-N 3.3Å; E671-L674 PolarHBondContact O-N 3.17Å; E671-Y675 WeakPolarHBondContact O-CB 3.32Å; E671-Y675 PolarHBondContact O-N 3.16Å; E671-I717 HydrophobicContact CB-CG2 4.08Å; E671-R721 IonicContact OE1-CZ 3.64Å; E671-R721 IonicContact OE1-NH2 2.68Å; E671-R721 PolarHBondContact OE1-NH2 3.38Å
672L87.2Confident83.3Confident31 Ų3138.6 Ų38.616%0.16221%0.207CC..Hα-helixtrans-64.9-44.6178.3-73.4167.3000112.3L645 L649 T668 F669 L670 Y675 E676L645-L672 HydrophobicContact CD2-CD1 3.59Å; L645-L672 HydrophobicContact CG-CD1 3.78Å; L649-L672 HydrophobicContact CD1-CD1 3.97Å; T668-L672 HydrophobicContact CG2-CD1 4.16Å; T668-L672 WeakPolarHBondContact O-CB 3.25Å; T668-L672 VanDerWaalsContact O-CG 3.25Å; T668-L672 WeakPolarHBondContact O-CG 3.31Å; T668-L672 PolarHBondContact O-N 2.85Å; F669-L672 PolarHBondContact O-N 2.94Å; L670-L672 VanDerWaalsContact C-N 3.34Å; L670-L672 PolarHBondContact O-N 3.27Å; L672-Y675 PolarHBondContact O-N 2.98Å; L672-E676 PolarHBondContact O-N 3.38Å
673L88.5Confident83.6Confident0 Ų042.2 Ų42.20%023%0.225CC..Hα-helixtrans-58.8-49176.3-74.4174.1000111.1M646 F669 L670 E676 A677 L694 M697 A698 L701M646-L673 HydrophobicContact CG-CD2 4.38Å; M646-L673 HydrophobicContact SD-CD2 3.85Å; F669-L673 HydrophobicContact CD1-CD1 3.92Å; F669-L673 HydrophobicContact CD2-CG 4.33Å; F669-L673 HydrophobicContact CE1-CD1 3.61Å; F669-L673 HydrophobicContact CE1-CG 4.28Å; F669-L673 HydrophobicContact CE2-CD1 4.3Å; F669-L673 HydrophobicContact CE2-CD2 4.13Å; F669-L673 HydrophobicContact CE2-CG 4.07Å; F669-L673 HydrophobicContact CG-CD1 4.39Å; F669-L673 HydrophobicContact CZ-CD1 3.81Å; F669-L673 HydrophobicContact CZ-CD2 4.03Å; F669-L673 HydrophobicContact CZ-CG 4.03Å; F669-L673 WeakPolarHBondContact O-CB 3.49Å; F669-L673 WeakPolarHBondContact O-CG 3.16Å; F669-L673 PolarHBondContact O-N 3.34Å; L670-L673 PolarHBondContact O-N 3.47Å; L673-E676 PolarHBondContact O-N 2.8Å; L673-A677 VanDerWaalsContact O-CB 3.27Å; L673-A677 WeakPolarHBondContact O-CB 3.32Å; L673-A677 PolarHBondContact O-N 3.4Å; L673-L694 HydrophobicContact CD2-CD2 3.77Å; L673-M697 HydrophobicContact CD1-CG 4.27Å; L673-M697 HydrophobicContact CD2-CG 4.45Å; L673-M697 HydrophobicContact CD2-SD 3.85Å; L673-A698 HydrophobicContact CD1-CB 4.36Å; L673-L701 HydrophobicContact CD1-CD2 4.38Å
674L88.2Confident83.3Confident0 Ų045.8 Ų45.80%023%0.23CC..Hα-helixtrans-69.1-34.6-179.9-66.3178.6000112.2L670 E671 N678 F695 A698 I717 R721 F723L670-L674 HydrophobicContact CD1-CD1 4.07Å; L670-L674 HydrophobicContact CD1-CG 4.26Å; L670-L674 HydrophobicContact CG-CD1 4.14Å; L670-L674 WeakPolarHBondContact O-CB 3.36Å; L670-L674 VanDerWaalsContact O-CG 3.32Å; L670-L674 WeakPolarHBondContact O-CG 3.44Å; L670-L674 PolarHBondContact O-N 3.2Å; E671-L674 PolarHBondContact O-N 3.17Å; L674-N678 VanDerWaalsContact O-CB 3.32Å; L674-N678 WeakPolarHBondContact O-CB 3.41Å; L674-N678 VanDerWaalsContact O-CG 3.26Å; L674-N678 PolarHBondContact O-N 3.21Å; L674-F695 HydrophobicContact CD2-CD1 3.79Å; L674-F695 HydrophobicContact CD2-CE1 3.84Å; L674-A698 HydrophobicContact CD2-CB 4.06Å; L674-I717 HydrophobicContact CD1-CG2 4.14Å; L674-R721 HydrophobicContact CB-CB 4.09Å; L674-R721 HydrophobicContact CB-CG 4.13Å; L674-R721 HydrophobicContact CD1-CB 4.2Å; L674-R721 HydrophobicContact CD1-CG 4.5Å; L674-F723 HydrophobicContact CD1-CB 4.04Å; L674-F723 HydrophobicContact CD1-CD1 4.2Å; L674-F723 HydrophobicContact CD1-CG 4.32Å; L674-F723 HydrophobicContact CD2-CB 3.83Å; L674-F723 HydrophobicContact CD2-CD1 3.84Å; L674-F723 HydrophobicContact CD2-CD2 3.88Å; L674-F723 HydrophobicContact CD2-CE1 4.32Å; L674-F723 HydrophobicContact CD2-CE2 4.37Å; L674-F723 HydrophobicContact CD2-CG 3.57Å
675Y86.4Confident82.7Confident116 Ų11649.7 Ų49.746%0.45525%0.254SS..Hα-helixtrans-63.6-47.7173.7176.2-97.8000111.4E671 L672 R679E671-Y675 WeakPolarHBondContact O-CB 3.32Å; E671-Y675 PolarHBondContact O-N 3.16Å; L672-Y675 PolarHBondContact O-N 2.98Å; Y675-R679 WeakPolarHBondContact O-CB 3.44Å; Y675-R679 PolarHBondContact O-N 3.03Å
676E84.7Confident81.6Confident22 Ų2251.9 Ų51.910%0.10327%0.267CS..Hα-helixtrans-68.4-40.2179.6-172.1155.3-152.400111.8K643 M646 L672 L673 R679 L680 L694K643-E676 WeakPolarHBondContact CE-OE1 3.25Å; M646-E676 WeakPolarHBondContact CE-OE2 3.39Å; M646-E676 VanDerWaalsContact SD-OE2 3.34Å; L672-E676 PolarHBondContact O-N 3.38Å; L673-E676 PolarHBondContact O-N 2.8Å; E676-R679 PolarHBondContact O-N 3.5Å; E676-R679 IonicContact OE1-NH2 2.71Å; E676-R679 PolarHBondContact OE1-NH2 2.89Å; E676-R679 VanDerWaalsContact OE1-NH2 3.16Å; E676-L680 HydrophobicContact CG-CD1 4.4Å; E676-L680 WeakPolarHBondContact O-CG 3.45Å; E676-L680 PolarHBondContact O-N 2.88Å; E676-L694 HydrophobicContact CB-CD1 4Å; E676-L694 HydrophobicContact CG-CD1 3.78Å
677A86.1Confident80.7Confident0 Ų055.7 Ų55.70%029%0.291CS..Hα-helixtrans-59.7-48.8175.400000112.2L673 R679 L680 E681 L694 F695L673-A677 VanDerWaalsContact O-CB 3.27Å; L673-A677 WeakPolarHBondContact O-CB 3.32Å; L673-A677 PolarHBondContact O-N 3.4Å; A677-R679 VanDerWaalsContact C-N 3.32Å; A677-R679 PolarHBondContact O-N 2.89Å; A677-L680 PolarHBondContact O-N 2.9Å; A677-E681 PolarHBondContact O-N 3.47Å; A677-L694 HydrophobicContact CB-CB 3.84Å; A677-L694 HydrophobicContact CB-CD1 4.28Å; A677-F695 HydrophobicContact CB-CD1 3.93Å; A677-F695 HydrophobicContact CB-CD2 4.02Å; A677-F695 HydrophobicContact CB-CE1 3.62Å; A677-F695 HydrophobicContact CB-CE2 3.7Å; A677-F695 HydrophobicContact CB-CG 4.12Å; A677-F695 HydrophobicContact CB-CZ 3.5Å
678N85.5Confident79.9Confident47 Ų4760.1 Ų60.125%0.25131%0.314SS..Hα-helixtrans-64.9-35.4177.8-75.5-8.7000112.5L674 E681 A682 F695 R721L674-N678 VanDerWaalsContact O-CB 3.32Å; L674-N678 WeakPolarHBondContact O-CB 3.41Å; L674-N678 VanDerWaalsContact O-CG 3.26Å; L674-N678 PolarHBondContact O-N 3.21Å; N678-E681 PolarHBondContact O-N 3.34Å; N678-A682 PolarHBondContact O-N 2.87Å; N678-A682 VanDerWaalsContact O-N 3.1Å; N678-F695 WeakPolarHBondContact OD1-CZ 3.42Å; N678-R721 PolarHBondContact ND2-O 3.17Å
679R85Confident79.7Confident98 Ų9865.6 Ų65.637%0.3734%0.338SS..Hα-helixtrans-64.6-42.7175.7-173.5-176.666.91220.5110.9Y675 E676 A677 A682 D683Y675-R679 WeakPolarHBondContact O-CB 3.44Å; Y675-R679 PolarHBondContact O-N 3.03Å; E676-R679 PolarHBondContact O-N 3.5Å; E676-R679 IonicContact OE1-NH2 2.71Å; E676-R679 PolarHBondContact OE1-NH2 2.89Å; E676-R679 VanDerWaalsContact OE1-NH2 3.16Å; A677-R679 VanDerWaalsContact C-N 3.32Å; A677-R679 PolarHBondContact O-N 2.89Å; R679-A682 PolarHBondContact O-N 3.4Å; R679-D683 PolarHBondContact O-N 3.45Å
680L82.1Confident79.3Confident15 Ų1570.1 Ų70.18%0.07936%0.359CS..Hα-helixtrans-66.3-34.6176.1-69.6176.9000112.6E676 A677 D683 V686 E690 L694E676-L680 HydrophobicContact CG-CD1 4.4Å; E676-L680 WeakPolarHBondContact O-CG 3.45Å; E676-L680 PolarHBondContact O-N 2.88Å; A677-L680 PolarHBondContact O-N 2.9Å; L680-D683 VanDerWaalsContact O-O 3.07Å; L680-V686 HydrophobicContact CD2-CB 4.13Å; L680-V686 HydrophobicContact CD2-CG1 4Å; L680-V686 HydrophobicContact CD2-CG2 4.01Å; L680-E690 HydrophobicContact CD1-CB 3.94Å; L680-L694 HydrophobicContact CD1-CD1 3.79Å
681E79.3Confident79Confident106 Ų10670 Ų7050%0.49536%0.359SS..Hα-helixtrans-67.8-34.2172.8-73.4-169.3156.100113.1A677 N678 F695A677-E681 PolarHBondContact O-N 3.47Å; N678-E681 PolarHBondContact O-N 3.34Å; E681-F695 HydrophobicContact CG-CE2 4.21Å; E681-F695 VanDerWaalsContact OE1-CE2 3.31Å; E681-F695 WeakPolarHBondContact OE1-CE2 3.32Å
682A78.6Confident78.9Confident79 Ų7970.4 Ų70.465%0.65337%0.366SS*.Hα-helixtrans-73-39.817800000112.2N678 R679 K684N678-A682 PolarHBondContact O-N 2.87Å; N678-A682 VanDerWaalsContact O-N 3.1Å; R679-A682 PolarHBondContact O-N 3.4Å; A682-K684 PolarHBondContact O-N 2.85Å
683D76.2Confident78.8Confident85 Ų8574.7 Ų74.746%0.45539%0.385SS..SBendtrans-75.188.4171.8-89.5-23.3000109.8R679 L680 S685 V686R679-D683 PolarHBondContact O-N 3.45Å; L680-D683 VanDerWaalsContact O-O 3.07Å; D683-S685 PolarHBondContact O-N 3.11Å; D683-V686 PolarHBondContact O-N 3.32Å
684K66.6Low78.7Confident206 Ų20675.7 Ų75.790%0.89639%0.391SS*.THydrogen-bonded Turntrans-55-0.4176.8-64.1-178.4179.2178.70115.6A682A682-K684 PolarHBondContact O-N 2.85Å
685S62.9Low78.6Confident103 Ų10377.2 Ų77.272%0.7240%0.398SS*.THydrogen-bonded Turntrans-88.6-18.7-178.3550000113.9D683D683-S685 PolarHBondContact O-N 3.11Å
686V60Low78.8Confident45 Ų4577 Ų7727%0.27340%0.4SS..SBendtrans-100.2144.7-175.6-174.10000111.2L680 D683 N688 E690L680-V686 HydrophobicContact CD2-CB 4.13Å; L680-V686 HydrophobicContact CD2-CG1 4Å; L680-V686 HydrophobicContact CD2-CG2 4.01Å; D683-V686 PolarHBondContact O-N 3.32Å; V686-N688 PolarHBondContact O-N 3.09Å; V686-E690 WeakPolarHBondContact CG1-OE2 3.2Å
687T62.6Low78.9Confident90 Ų9078.3 Ų78.355%0.55241%0.407SS*.  trans-55.3120.7172.834.60000110.5E689 E690T687-E689 PolarHBondContact O-N 3.24Å; T687-E690 PolarHBondContact O-N 3.47Å; T687-E690 VanDerWaalsContact O-N 3.14Å
688N70.3Confident79Confident115 Ų11578.3 Ų78.362%0.61541%0.407SS*.Hα-helixtrans-51.1-12.7173.5-79.4-14.1000114.1V686 S691 V692V686-N688 PolarHBondContact O-N 3.09Å; N688-S691 PolarHBondContact O-OG 3.43Å; N688-V692 WeakPolarHBondContact O-CB 3.27Å; N688-V692 WeakPolarHBondContact O-CG2 3.48Å; N688-V692 PolarHBondContact O-N 3.42Å; N688-V692 VanDerWaalsContact O-N 3.12Å
689E80Confident79.1Confident138 Ų13878.5 Ų78.565%0.64541%0.407SS*.Hα-helixtrans-64.2-40.9175.5-63.4-174.3178.600112.9T687 V692 Q693T687-E689 PolarHBondContact O-N 3.24Å; E689-V692 PolarHBondContact O-N 3.48Å; E689-Q693 VanDerWaalsContact O-CG 3.26Å; E689-Q693 WeakPolarHBondContact O-CG 3.32Å; E689-Q693 PolarHBondContact O-N 2.96Å
690E80.6Confident79.2Confident99 Ų9979.2 Ų79.246%0.46342%0.415SS..Hα-helixtrans-68.5-42.5-179.2-67.9-173166.300111.4L680 V686 T687 V692 Q693 L694L680-E690 HydrophobicContact CD1-CB 3.94Å; V686-E690 WeakPolarHBondContact CG1-OE2 3.2Å; T687-E690 PolarHBondContact O-N 3.47Å; T687-E690 VanDerWaalsContact O-N 3.14Å; E690-V692 VanDerWaalsContact C-N 3.34Å; E690-V692 PolarHBondContact O-N 3.46Å; E690-Q693 PolarHBondContact O-N 3.1Å; E690-L694 WeakPolarHBondContact O-CG 3.48Å; E690-L694 PolarHBondContact O-N 2.9Å
691S81.2Confident79.4Confident1 Ų179 Ų791%0.00741%0.414CS..Hα-helixtrans-63.1-42.7176.361.70000111.2N688 Q693 L694 F695N688-S691 PolarHBondContact O-OG 3.43Å; S691-Q693 VanDerWaalsContact C-N 3.34Å; S691-Q693 PolarHBondContact O-N 3.23Å; S691-L694 PolarHBondContact O-N 3.11Å; S691-F695 WeakPolarHBondContact O-CD2 3.36Å; S691-F695 PolarHBondContact O-N 3.25Å
692V84.2Confident79.7Confident83 Ų8374.1 Ų74.150%0.50339%0.391SS..Hα-helixtrans-61.7-41.4175.6170.20000111.5N688 E689 E690 F695 Q696N688-V692 WeakPolarHBondContact O-CB 3.27Å; N688-V692 WeakPolarHBondContact O-CG2 3.48Å; N688-V692 PolarHBondContact O-N 3.42Å; N688-V692 VanDerWaalsContact O-N 3.12Å; E689-V692 PolarHBondContact O-N 3.48Å; E690-V692 VanDerWaalsContact C-N 3.34Å; E690-V692 PolarHBondContact O-N 3.46Å; V692-F695 PolarHBondContact O-N 2.95Å; V692-Q696 WeakPolarHBondContact O-CB 3.48Å; V692-Q696 PolarHBondContact O-N 3.38Å
693Q86.6Confident80Confident120 Ų12073.4 Ų73.456%0.56138%0.381SS*.Hα-helixtrans-62.3-42.3176-75173.520.400112.1E689 E690 S691 Q696 M697E689-Q693 VanDerWaalsContact O-CG 3.26Å; E689-Q693 WeakPolarHBondContact O-CG 3.32Å; E689-Q693 PolarHBondContact O-N 2.96Å; E690-Q693 PolarHBondContact O-N 3.1Å; S691-Q693 VanDerWaalsContact C-N 3.34Å; S691-Q693 PolarHBondContact O-N 3.23Å; Q693-Q696 PolarHBondContact O-N 3.03Å; Q693-M697 WeakPolarHBondContact O-CB 3.42Å; Q693-M697 PolarHBondContact O-N 2.69Å
694L86Confident80.3Confident22 Ų2272.2 Ų72.212%0.11538%0.375CS..Hα-helixtrans-65.6-41.1177.3-68.2174000112.3M646 L673 E676 A677 L680 E690 S691 Q696 M697 A698M646-L694 HydrophobicContact SD-CD2 4.24Å; L673-L694 HydrophobicContact CD2-CD2 3.77Å; E676-L694 HydrophobicContact CB-CD1 4Å; E676-L694 HydrophobicContact CG-CD1 3.78Å; A677-L694 HydrophobicContact CB-CB 3.84Å; A677-L694 HydrophobicContact CB-CD1 4.28Å; L680-L694 HydrophobicContact CD1-CD1 3.79Å; E690-L694 WeakPolarHBondContact O-CG 3.48Å; E690-L694 PolarHBondContact O-N 2.9Å; S691-L694 PolarHBondContact O-N 3.11Å; L694-Q696 VanDerWaalsContact C-N 3.33Å; L694-M697 PolarHBondContact O-N 3.19Å; L694-A698 PolarHBondContact O-N 3.14Å
695F86.6Confident80.8Confident32 Ų3268.6 Ų68.614%0.1437%0.365CS..Hα-helixtrans-65.6-36.7173.4-72.9-57.3000112.6L674 A677 N678 E681 S691 V692 M697 A698 M699 F723L674-F695 HydrophobicContact CD2-CD1 3.79Å; L674-F695 HydrophobicContact CD2-CE1 3.84Å; A677-F695 HydrophobicContact CB-CD1 3.93Å; A677-F695 HydrophobicContact CB-CD2 4.02Å; A677-F695 HydrophobicContact CB-CE1 3.62Å; A677-F695 HydrophobicContact CB-CE2 3.7Å; A677-F695 HydrophobicContact CB-CG 4.12Å; A677-F695 HydrophobicContact CB-CZ 3.5Å; N678-F695 WeakPolarHBondContact OD1-CZ 3.42Å; E681-F695 HydrophobicContact CG-CE2 4.21Å; E681-F695 VanDerWaalsContact OE1-CE2 3.31Å; E681-F695 WeakPolarHBondContact OE1-CE2 3.32Å; S691-F695 WeakPolarHBondContact O-CD2 3.36Å; S691-F695 PolarHBondContact O-N 3.25Å; V692-F695 PolarHBondContact O-N 2.95Å; F695-M697 VanDerWaalsContact C-N 3.35Å; F695-A698 PolarHBondContact O-N 3.27Å; F695-M699 PolarHBondContact O-N 3.29Å; F695-F723 HydrophobicContact CB-CE2 4.16Å; F695-F723 AromaticContact CD1-CD2 3.59Å; F695-F723 HydrophobicContact CD1-CD2 3.59Å; F695-F723 AromaticContact CD1-CE2 3.6Å; F695-F723 HydrophobicContact CD1-CE2 3.6Å; F695-F723 AromaticContact CE1-CD2 3.94Å; F695-F723 HydrophobicContact CE1-CD2 3.94Å; F695-F723 HydrophobicContact CE1-CE2 4.4Å; F695-F723 HydrophobicContact CG-CE2 4.22Å
696Q88.9Confident81.4Confident110 Ų11070 Ų7051%0.51436%0.361SS..Hα-helixtrans-65.2-40.9173.9-179.3175.7-18.100111.1V692 Q693 L694 A698 M699 Q700V692-Q696 WeakPolarHBondContact O-CB 3.48Å; V692-Q696 PolarHBondContact O-N 3.38Å; Q693-Q696 PolarHBondContact O-N 3.03Å; L694-Q696 VanDerWaalsContact C-N 3.33Å; Q696-A698 VanDerWaalsContact C-N 3.35Å; Q696-M699 PolarHBondContact O-N 3.16Å; Q696-Q700 WeakPolarHBondContact O-CG 3.47Å; Q696-Q700 PolarHBondContact O-N 3.25Å
697M87.8Confident82.2Confident50 Ų5068.4 Ų68.425%0.24635%0.351CS..Hα-helixtrans-64-40.1174.9-165.7177.9-167.900111.5D650 F669 L673 Q693 L694 F695 M699 Q700 L701D650-M697 HydrophobicContact CB-CE 4.21Å; D650-M697 VanDerWaalsContact CG-CE 3.43Å; D650-M697 WeakPolarHBondContact OD1-CE 3.38Å; F669-M697 HydrophobicContact CE1-CE 4.26Å; F669-M697 HydrophobicContact CZ-CE 3.74Å; F669-M697 HydrophobicContact CZ-SD 4.25Å; L673-M697 HydrophobicContact CD1-CG 4.27Å; L673-M697 HydrophobicContact CD2-CG 4.45Å; L673-M697 HydrophobicContact CD2-SD 3.85Å; Q693-M697 WeakPolarHBondContact O-CB 3.42Å; Q693-M697 PolarHBondContact O-N 2.69Å; L694-M697 PolarHBondContact O-N 3.19Å; F695-M697 VanDerWaalsContact C-N 3.35Å; M697-M699 VanDerWaalsContact C-N 3.35Å; M697-M699 PolarHBondContact O-N 2.98Å; M697-Q700 PolarHBondContact O-N 2.94Å; M697-L701 WeakPolarHBondContact O-CB 3.16Å; M697-L701 PolarHBondContact O-N 3.44Å
698A88.6Confident82.8Confident0 Ų072.1 Ų72.10%036%0.361CS..Hα-helixtrans-62-39.4172.800000112.2L670 L673 L674 L694 F695 Q696 L701 L702 F723L670-A698 HydrophobicContact CD1-CB 3.93Å; L673-A698 HydrophobicContact CD1-CB 4.36Å; L674-A698 HydrophobicContact CD2-CB 4.06Å; L694-A698 PolarHBondContact O-N 3.14Å; F695-A698 PolarHBondContact O-N 3.27Å; Q696-A698 VanDerWaalsContact C-N 3.35Å; A698-L701 WeakPolarHBondContact O-CB 3.36Å; A698-L701 PolarHBondContact O-N 2.84Å; A698-L702 WeakPolarHBondContact O-CG 3.05Å; A698-L702 PolarHBondContact O-N 3.46Å; A698-L702 VanDerWaalsContact O-N 3.09Å; A698-F723 HydrophobicContact CB-CE1 4.4Å; A698-F723 HydrophobicContact CB-CZ 4.34Å
699M86Confident83.3Confident52 Ų5268 Ų6826%0.25634%0.337SS..Hα-helixtrans-66.5-40.7171.8-75.7-52.6-6400112.4F695 Q696 M697 L701 L702 S703 F723 K725F695-M699 PolarHBondContact O-N 3.29Å; Q696-M699 PolarHBondContact O-N 3.16Å; M697-M699 VanDerWaalsContact C-N 3.35Å; M697-M699 PolarHBondContact O-N 2.98Å; M699-L701 VanDerWaalsContact C-N 3.27Å; M699-L701 PolarHBondContact O-N 3.27Å; M699-L702 PolarHBondContact O-N 3.27Å; M699-S703 VanDerWaalsContact O-CB 3.29Å; M699-S703 WeakPolarHBondContact O-CB 3.43Å; M699-S703 PolarHBondContact O-N 3.39Å; M699-S703 PolarHBondContact O-OG 3.02Å; M699-F723 HydrophobicContact CG-CZ 3.74Å; M699-F723 HydrophobicContact SD-CE1 3.77Å; M699-F723 HydrophobicContact SD-CZ 3.47Å; M699-F723 WeakPolarHBondContact SD-CZ 3.1Å; M699-K725 HydrophobicContact SD-CB 4.2Å
700Q87.3Confident83.5Confident113 Ų11364.5 Ų64.553%0.52832%0.323SS..Hα-helixtrans-61.3-38.8175.6-77.1178.6-19.100111.2Q696 M697 S703 N704Q696-Q700 WeakPolarHBondContact O-CG 3.47Å; Q696-Q700 PolarHBondContact O-N 3.25Å; M697-Q700 PolarHBondContact O-N 2.94Å; Q700-S703 WeakPolarHBondContact CA-OG 3.31Å; Q700-S703 PolarHBondContact O-OG 3.03Å; Q700-N704 WeakPolarHBondContact O-CB 3.26Å; Q700-N704 PolarHBondContact O-N 3.49Å; Q700-N704 VanDerWaalsContact O-N 3.11Å
701L86.4Confident83.7Confident11 Ų1162.5 Ų62.56%0.05831%0.313CS..Hα-helixtrans-62.9-46.7175.4-170.471.8000112I653 V666 F669 L670 L673 M697 A698 M699 L707I653-L701 HydrophobicContact CD1-CD1 4.4Å; V666-L701 HydrophobicContact CG1-CD1 4.16Å; V666-L701 HydrophobicContact CG1-CD2 3.97Å; V666-L701 HydrophobicContact CG1-CG 3.97Å; F669-L701 HydrophobicContact CD1-CD1 3.92Å; F669-L701 HydrophobicContact CD1-CD2 3.66Å; F669-L701 HydrophobicContact CD1-CG 4.42Å; F669-L701 HydrophobicContact CE1-CD1 4.21Å; F669-L701 HydrophobicContact CE1-CD2 4.32Å; L670-L701 HydrophobicContact CB-CD2 3.98Å; L670-L701 HydrophobicContact CD1-CD2 4.37Å; L673-L701 HydrophobicContact CD1-CD2 4.38Å; M697-L701 WeakPolarHBondContact O-CB 3.16Å; M697-L701 PolarHBondContact O-N 3.44Å; A698-L701 WeakPolarHBondContact O-CB 3.36Å; A698-L701 PolarHBondContact O-N 2.84Å; M699-L701 VanDerWaalsContact C-N 3.27Å; M699-L701 PolarHBondContact O-N 3.27Å; L701-L707 HydrophobicContact CD1-CD1 3.62Å; L701-L707 HydrophobicContact CG-CD1 4.48Å
702L85.8Confident83.9Confident2 Ų269.7 Ų69.71%0.0135%0.345CS..Hα-helixtrans-71-34.4179.2-69.1174.4000113.3L670 A698 M699 N704 Y709 A714 F723 Y729 L730L670-L702 HydrophobicContact CD1-CG 4.39Å; L670-L702 HydrophobicContact CD2-CD2 3.98Å; A698-L702 WeakPolarHBondContact O-CG 3.05Å; A698-L702 PolarHBondContact O-N 3.46Å; A698-L702 VanDerWaalsContact O-N 3.09Å; M699-L702 PolarHBondContact O-N 3.27Å; L702-N704 VanDerWaalsContact C-N 3.31Å; L702-Y709 HydrophobicContact CD2-CE2 3.91Å; L702-Y709 PolarHBondContact O-OH 3.02Å; L702-A714 HydrophobicContact CD2-CB 4.27Å; L702-F723 HydrophobicContact CD1-CE1 4.05Å; L702-Y729 HydrophobicContact CB-CD1 4.08Å; L702-Y729 HydrophobicContact CB-CE1 3.98Å; L702-Y729 WeakPolarHBondContact O-CE1 3.32Å; L702-Y729 PolarHBondContact O-OH 2.9Å; L702-L730 HydrophobicContact CD2-CD1 4.5Å; L702-L730 HydrophobicContact CD2-CD2 4.42Å
703S85.3Confident84Confident64 Ų6471.2 Ų71.245%0.44834%0.344SS..Hα-helixtrans-78.7-14.1179.756.40000113.6M699 Q700 N705M699-S703 VanDerWaalsContact O-CB 3.29Å; M699-S703 WeakPolarHBondContact O-CB 3.43Å; M699-S703 PolarHBondContact O-N 3.39Å; M699-S703 PolarHBondContact O-OG 3.02Å; Q700-S703 WeakPolarHBondContact CA-OG 3.31Å; Q700-S703 PolarHBondContact O-OG 3.03Å; S703-N705 PolarHBondContact O-N 2.97Å; S703-N705 VanDerWaalsContact O-N 3.1Å
704N83.4Confident84Confident61 Ų6165.5 Ų65.533%0.32632%0.318SS..  trans-73.7103.1176.1-171.9-6.7000111Q700 L702 E706 L707Q700-N704 WeakPolarHBondContact O-CB 3.26Å; Q700-N704 PolarHBondContact O-N 3.49Å; Q700-N704 VanDerWaalsContact O-N 3.11Å; L702-N704 VanDerWaalsContact C-N 3.31Å; N704-E706 PolarHBondContact O-N 3.42Å; N704-E706 WeakPolarHBondContact OD1-CB 3.47Å; N704-E706 PolarHBondContact OD1-N 3.25Å; N704-L707 HydrophobicContact CB-CD1 3.95Å; N704-L707 HydrophobicContact CB-CG 4.27Å; N704-L707 PolarHBondContact O-N 3.29Å
705N76Confident84.1Confident129 Ų12965.7 Ų65.769%0.6932%0.319SS*.THydrogen-bonded Turntrans-71-12.2-178.9-163.644000113.9S703 L707S703-N705 PolarHBondContact O-N 2.97Å; S703-N705 VanDerWaalsContact O-N 3.1Å; N705-L707 VanDerWaalsContact C-N 3.31Å
706E76.7Confident84.2Confident134 Ų13468.7 Ų68.763%0.62634%0.339SS*.THydrogen-bonded Turntrans-76.9-20.6176.1-58.3-173.9168.100112.4P658 N704P658-E706 WeakPolarHBondContact CB-O 3.42Å; P658-E706 HydrophobicContact CG-CB 4.29Å; N704-E706 PolarHBondContact O-N 3.42Å; N704-E706 WeakPolarHBondContact OD1-CB 3.47Å; N704-E706 PolarHBondContact OD1-N 3.25Å
707L77Confident84.1Confident11 Ų1164.4 Ų64.46%0.05832%0.32CS..SBendtrans-87.1121.1-179-65.7173000110.7I653 L661 L701 N704 N705 Y709I653-L707 HydrophobicContact CG2-CD1 4.35Å; I653-L707 HydrophobicContact CG2-CD2 4.09Å; L661-L707 HydrophobicContact CD1-CD2 3.4Å; L701-L707 HydrophobicContact CD1-CD1 3.62Å; L701-L707 HydrophobicContact CG-CD1 4.48Å; N704-L707 HydrophobicContact CB-CD1 3.95Å; N704-L707 HydrophobicContact CB-CG 4.27Å; N704-L707 PolarHBondContact O-N 3.29Å; N705-L707 VanDerWaalsContact C-N 3.31Å; L707-Y709 PolarHBondContact O-N 3.01Å
708H73.7Confident84.1Confident168 Ų16862 Ų6278%0.77831%0.308SS*.  trans-85.3106.4170.7-64.7-49.8000110.2
709Y81.3Confident84.1Confident29 Ų2967 Ų6711%0.11433%0.331CS..  trans-125.3158.3173.265.9-91.5000111V666 L702 L707 E711 A714 L730V666-Y709 HydrophobicContact CG1-CD1 4.41Å; V666-Y709 HydrophobicContact CG1-CG 4.27Å; L702-Y709 HydrophobicContact CD2-CE2 3.91Å; L702-Y709 PolarHBondContact O-OH 3.02Å; L707-Y709 PolarHBondContact O-N 3.01Å; Y709-E711 HydrophobicContact CE2-CB 4.49Å; Y709-E711 HydrophobicContact CE2-CG 4.16Å; Y709-E711 PolarHBondContact O-N 3.01Å; Y709-A714 HydrophobicContact CD2-CB 3.73Å; Y709-A714 HydrophobicContact CE2-CB 3.75Å; Y709-L730 HydrophobicContact CE2-CD2 3.85Å; Y709-L730 WeakPolarHBondContact OH-CD2 3.37Å
710D83.8Confident84.1Confident63 Ų6370.9 Ų70.934%0.33735%0.349SS..  trans-78.3104177.6-178.3-19.9000109.3K712 K713 A714D710-K712 PolarHBondContact O-N 3.29Å; D710-K712 WeakPolarHBondContact OD1-CB 3.29Å; D710-K712 PolarHBondContact OD1-N 3.29Å; D710-K713 HydrophobicContact CB-CB 4.05Å; D710-K713 HydrophobicContact CB-CD 3.95Å; D710-K713 HydrophobicContact CB-CG 4.12Å; D710-K713 PolarHBondContact O-N 2.99Å; D710-K713 VanDerWaalsContact O-N 3.16Å; D710-K713 PolarHBondContact OD1-N 3.02Å; D710-K713 VanDerWaalsContact OD2-CD 3.32Å; D710-K713 WeakPolarHBondContact OD2-CD 3.45Å; D710-K713 WeakPolarHBondContact OD2-CE 3.09Å; D710-K713 WeakPolarHBondContact OD2-CG 3.41Å; D710-K713 IonicContact OD2-NZ 3.95Å; D710-A714 WeakPolarHBondContact O-CB 3.41Å; D710-A714 PolarHBondContact O-N 3.11Å
711E84.8Confident84Confident57 Ų5768.4 Ų68.427%0.26634%0.335SS..Hα-helixtrans-60-30-176.1-53.6-177.8172.500113Y709 L715 K733 Q734Y709-E711 HydrophobicContact CE2-CB 4.49Å; Y709-E711 HydrophobicContact CE2-CG 4.16Å; Y709-E711 PolarHBondContact O-N 3.01Å; E711-L715 WeakPolarHBondContact O-CB 3.34Å; E711-L715 PolarHBondContact O-N 2.86Å; E711-L715 VanDerWaalsContact O-N 3.08Å; E711-K733 VanDerWaalsContact OE1-CD 3.31Å; E711-K733 WeakPolarHBondContact OE1-CD 3.33Å; E711-K733 WeakPolarHBondContact OE1-CE 3.42Å; E711-K733 IonicContact OE1-NZ 2.72Å; E711-K733 PolarHBondContact OE1-NZ 3.15Å; E711-Q734 VanDerWaalsContact C-NE2 3.28Å; E711-Q734 HydrophobicContact CB-CG 4.48Å; E711-Q734 PolarHBondContact O-NE2 3.22Å; E711-Q734 VanDerWaalsContact OE2-CG 3.32Å; E711-Q734 WeakPolarHBondContact OE2-CG 3.32Å
712K86Confident83.9Confident153 Ų15375.4 Ų75.467%0.66536%0.364SS*.Hα-helixtrans-73-43.1178.5-64179.9-179.3177.90110.7D710 L715 V716D710-K712 PolarHBondContact O-N 3.29Å; D710-K712 WeakPolarHBondContact OD1-CB 3.29Å; D710-K712 PolarHBondContact OD1-N 3.29Å; K712-L715 PolarHBondContact O-N 3.43Å; K712-V716 WeakPolarHBondContact O-CG2 3.47Å; K712-V716 PolarHBondContact O-N 3.36Å
713K86.2Confident84Confident114 Ų11475.9 Ų75.950%0.49637%0.366SS..Hα-helixtrans-65.6-44.8175-71178.4-1701650111.6D710 L715 V716 I717D710-K713 HydrophobicContact CB-CB 4.05Å; D710-K713 HydrophobicContact CB-CD 3.95Å; D710-K713 HydrophobicContact CB-CG 4.12Å; D710-K713 PolarHBondContact O-N 2.99Å; D710-K713 VanDerWaalsContact O-N 3.16Å; D710-K713 PolarHBondContact OD1-N 3.02Å; D710-K713 VanDerWaalsContact OD2-CD 3.32Å; D710-K713 WeakPolarHBondContact OD2-CD 3.45Å; D710-K713 WeakPolarHBondContact OD2-CE 3.09Å; D710-K713 WeakPolarHBondContact OD2-CG 3.41Å; D710-K713 IonicContact OD2-NZ 3.95Å; K713-L715 PolarHBondContact O-N 2.85Å; K713-V716 PolarHBondContact O-N 2.72Å; K713-V716 VanDerWaalsContact O-N 3.11Å; K713-I717 WeakPolarHBondContact O-CG1 3.48Å; K713-I717 PolarHBondContact O-N 3.48Å
714A86.9Confident84.1Confident0 Ų075.9 Ų75.90%036%0.357CS..Hα-helixtrans-56.8-39.8176.200000111.5L670 L702 Y709 D710 I717 C718 L730L670-A714 HydrophobicContact CD2-CB 4.11Å; L702-A714 HydrophobicContact CD2-CB 4.27Å; Y709-A714 HydrophobicContact CD2-CB 3.73Å; Y709-A714 HydrophobicContact CE2-CB 3.75Å; D710-A714 WeakPolarHBondContact O-CB 3.41Å; D710-A714 PolarHBondContact O-N 3.11Å; A714-I717 PolarHBondContact O-N 2.9Å; A714-C718 WeakPolarHBondContact O-CB 3.43Å; A714-C718 PolarHBondContact O-N 2.96Å; A714-C718 PolarHBondContact O-SG 3.36Å; A714-L730 HydrophobicContact CB-CD1 3.81Å
715L88Confident84.2Confident27 Ų2780.5 Ų80.514%0.14137%0.374CS..Hα-helixtrans-63.9-43.7176.7179.863.7000111.9E711 K712 K713 C718 H719 C727 L730E711-L715 WeakPolarHBondContact O-CB 3.34Å; E711-L715 PolarHBondContact O-N 2.86Å; E711-L715 VanDerWaalsContact O-N 3.08Å; K712-L715 PolarHBondContact O-N 3.43Å; K713-L715 PolarHBondContact O-N 2.85Å; L715-C718 PolarHBondContact O-N 2.87Å; L715-H719 VanDerWaalsContact O-CB 3.27Å; L715-H719 WeakPolarHBondContact O-CB 3.29Å; L715-H719 PolarHBondContact O-N 3.4Å; L715-C727 HydrophobicContact CD1-CB 4.07Å; L715-L730 HydrophobicContact CB-CB 4.5Å; L715-L730 HydrophobicContact CB-CD1 3.99Å; L715-L730 HydrophobicContact CD1-CB 4.13Å; L715-L730 HydrophobicContact CD1-CD1 4.45Å
716V87.7Confident84.7Confident94 Ų9474.3 Ų74.357%0.5734%0.341SS*.Hα-helixtrans-61.4-45.1176173.90000111K712 K713 H719 Q720K712-V716 WeakPolarHBondContact O-CG2 3.47Å; K712-V716 PolarHBondContact O-N 3.36Å; K713-V716 PolarHBondContact O-N 2.72Å; K713-V716 VanDerWaalsContact O-N 3.11Å; V716-H719 PolarHBondContact O-N 3.05Å; V716-Q720 VanDerWaalsContact O-CB 3.29Å; V716-Q720 WeakPolarHBondContact O-CB 3.41Å; V716-Q720 PolarHBondContact O-N 3.31Å
717I87.1Confident85.2Confident20 Ų2068 Ų6810%0.10331%0.312CS..Hα-helixtrans-61.6-49.1178.1-65.3166.9000110.5D667 L670 E671 L674 K713 A714 H719 Q720 R721D667-I717 HydrophobicContact CB-CD1 4.13Å; L670-I717 HydrophobicContact CD2-CG2 4.41Å; L670-I717 HydrophobicContact CG-CG2 4.34Å; E671-I717 HydrophobicContact CB-CG2 4.08Å; L674-I717 HydrophobicContact CD1-CG2 4.14Å; K713-I717 WeakPolarHBondContact O-CG1 3.48Å; K713-I717 PolarHBondContact O-N 3.48Å; A714-I717 PolarHBondContact O-N 2.9Å; I717-H719 VanDerWaalsContact C-N 3.33Å; I717-H719 PolarHBondContact O-N 3.43Å; I717-Q720 PolarHBondContact O-N 3.42Å; I717-R721 WeakPolarHBondContact O-CB 3.39Å; I717-R721 WeakPolarHBondContact O-CG 3.27Å; I717-R721 PolarHBondContact O-N 2.95Å
718C89.5Confident85.7Confident0 Ų068.7 Ų68.70%032%0.315CS..Hα-helixtrans-59.6-44.5178.3-66.80000111.2A714 L715 R721 K722 F723 C727A714-C718 WeakPolarHBondContact O-CB 3.43Å; A714-C718 PolarHBondContact O-N 2.96Å; A714-C718 PolarHBondContact O-SG 3.36Å; L715-C718 PolarHBondContact O-N 2.87Å; C718-R721 PolarHBondContact O-N 3.22Å; C718-K722 PolarHBondContact O-N 3.44Å; C718-K722 VanDerWaalsContact O-N 3.14Å; C718-F723 HydrophobicContact CB-CB 4.37Å; C718-F723 HydrophobicContact CB-CD1 4.28Å; C718-F723 PolarHBondContact O-N 3.24Å; C718-C727 VanDerWaalsContact C-SG 3.58Å; C718-C727 VanDerWaalsContact CB-SG 3.54Å
719H87.4Confident86.4Confident104 Ų10463.5 Ų63.548%0.48129%0.289SS..Hα-helixtrans-65.8-47.6180-173.682.3000112L715 V716 I717 R721 K722 C727L715-H719 VanDerWaalsContact O-CB 3.27Å; L715-H719 WeakPolarHBondContact O-CB 3.29Å; L715-H719 PolarHBondContact O-N 3.4Å; V716-H719 PolarHBondContact O-N 3.05Å; I717-H719 VanDerWaalsContact C-N 3.33Å; I717-H719 PolarHBondContact O-N 3.43Å; H719-R721 VanDerWaalsContact C-N 3.26Å; H719-R721 PolarHBondContact O-N 3.08Å; H719-K722 PolarHBondContact O-N 3.48Å; H719-C727 PolarHBondContact N-SG 3.34Å; H719-C727 VanDerWaalsContact N-SG 3.43Å
720Q87Confident86.7Confident134 Ų13462.1 Ų62.163%0.62628%0.284SS*.Hα-helixtrans-61.1-35.4179.9-172.6179.410.100112.2V716 I717 K722V716-Q720 VanDerWaalsContact O-CB 3.29Å; V716-Q720 WeakPolarHBondContact O-CB 3.41Å; V716-Q720 PolarHBondContact O-N 3.31Å; I717-Q720 PolarHBondContact O-N 3.42Å; Q720-K722 VanDerWaalsContact C-N 3.34Å
721R84.7Confident86.9Confident62 Ų6260.2 Ų60.223%0.23427%0.272CS..THydrogen-bonded Turntrans-90.58.8177.9-60.3-65.8-177.3-175.7-0.9113.5E671 L674 N678 I717 C718 H719 F723E671-R721 IonicContact OE1-CZ 3.64Å; E671-R721 IonicContact OE1-NH2 2.68Å; E671-R721 PolarHBondContact OE1-NH2 3.38Å; L674-R721 HydrophobicContact CB-CB 4.09Å; L674-R721 HydrophobicContact CB-CG 4.13Å; L674-R721 HydrophobicContact CD1-CB 4.2Å; L674-R721 HydrophobicContact CD1-CG 4.5Å; N678-R721 PolarHBondContact ND2-O 3.17Å; I717-R721 WeakPolarHBondContact O-CB 3.39Å; I717-R721 WeakPolarHBondContact O-CG 3.27Å; I717-R721 PolarHBondContact O-N 2.95Å; C718-R721 PolarHBondContact O-N 3.22Å; H719-R721 VanDerWaalsContact C-N 3.26Å; H719-R721 PolarHBondContact O-N 3.08Å; R721-F723 PolarHBondContact O-N 2.83Å
722K83.6Confident87Confident157 Ų15761.1 Ų61.168%0.68328%0.276SS*.THydrogen-bonded Turntrans57.327.2-179.2-58.4-177.4179.5-179.40114.5C718 H719 Q720 Y724C718-K722 PolarHBondContact O-N 3.44Å; C718-K722 VanDerWaalsContact O-N 3.14Å; H719-K722 PolarHBondContact O-N 3.48Å; Q720-K722 VanDerWaalsContact C-N 3.34Å; K722-Y724 VanDerWaalsContact C-N 3.32Å; K722-Y724 HydrophobicContact CB-CD2 4.5Å; K722-Y724 HydrophobicContact CB-CE2 3.87Å; K722-Y724 HydrophobicContact CG-CE2 4.42Å; K722-Y724 WeakPolarHBondContact O-CD2 3.45Å; K722-Y724 PolarHBondContact O-N 3.12Å
723F89Confident86.9Confident12 Ų1257.4 Ų57.45%0.05326%0.26CS..  trans-84.772.8176.8-176-121.3000111.1L674 F695 A698 M699 L702 C718 R721 K725 G726 C727L674-F723 HydrophobicContact CD1-CB 4.04Å; L674-F723 HydrophobicContact CD1-CD1 4.2Å; L674-F723 HydrophobicContact CD1-CG 4.32Å; L674-F723 HydrophobicContact CD2-CB 3.83Å; L674-F723 HydrophobicContact CD2-CD1 3.84Å; L674-F723 HydrophobicContact CD2-CD2 3.88Å; L674-F723 HydrophobicContact CD2-CE1 4.32Å; L674-F723 HydrophobicContact CD2-CE2 4.37Å; L674-F723 HydrophobicContact CD2-CG 3.57Å; F695-F723 HydrophobicContact CB-CE2 4.16Å; F695-F723 AromaticContact CD1-CD2 3.59Å; F695-F723 HydrophobicContact CD1-CD2 3.59Å; F695-F723 AromaticContact CD1-CE2 3.6Å; F695-F723 HydrophobicContact CD1-CE2 3.6Å; F695-F723 AromaticContact CE1-CD2 3.94Å; F695-F723 HydrophobicContact CE1-CD2 3.94Å; F695-F723 HydrophobicContact CE1-CE2 4.4Å; F695-F723 HydrophobicContact CG-CE2 4.22Å; A698-F723 HydrophobicContact CB-CE1 4.4Å; A698-F723 HydrophobicContact CB-CZ 4.34Å; M699-F723 HydrophobicContact CG-CZ 3.74Å; M699-F723 HydrophobicContact SD-CE1 3.77Å; M699-F723 HydrophobicContact SD-CZ 3.47Å; M699-F723 WeakPolarHBondContact SD-CZ 3.1Å; L702-F723 HydrophobicContact CD1-CE1 4.05Å; C718-F723 HydrophobicContact CB-CB 4.37Å; C718-F723 HydrophobicContact CB-CD1 4.28Å; C718-F723 PolarHBondContact O-N 3.24Å; R721-F723 PolarHBondContact O-N 2.83Å; F723-K725 VanDerWaalsContact C-N 3.32Å; F723-K725 HydrophobicContact CE2-CB 4.25Å; F723-K725 HydrophobicContact CZ-CB 4.37Å; F723-K725 PolarHBondContact O-N 2.98Å; F723-G726 VanDerWaalsContact CE1-CA 3.49Å; F723-G726 PolarHBondContact O-N 3.23Å; F723-G726 VanDerWaalsContact O-N 3.15Å; F723-C727 PolarHBondContact O-N 3.42Å; F723-C727 VanDerWaalsContact O-N 3.16Å; F723-C727 PolarHBondContact O-SG 3.05Å
724Y86.2Confident86.9Confident64 Ų6454.3 Ų54.325%0.25125%0.247SC..Hα-helixtrans-67.3-28.2-171.5-64.6-72.8000114.4K722 G726 C727 I728 Y743K722-Y724 VanDerWaalsContact C-N 3.32Å; K722-Y724 HydrophobicContact CB-CD2 4.5Å; K722-Y724 HydrophobicContact CB-CE2 3.87Å; K722-Y724 HydrophobicContact CG-CE2 4.42Å; K722-Y724 WeakPolarHBondContact O-CD2 3.45Å; K722-Y724 PolarHBondContact O-N 3.12Å; Y724-G726 VanDerWaalsContact C-N 3.28Å; Y724-G726 PolarHBondContact O-N 2.74Å; Y724-C727 WeakPolarHBondContact O-CB 3.37Å; Y724-C727 PolarHBondContact O-N 3.1Å; Y724-C727 VanDerWaalsContact O-N 3.17Å; Y724-I728 WeakPolarHBondContact O-CD1 3.38Å; Y724-I728 VanDerWaalsContact O-CG1 3.27Å; Y724-I728 WeakPolarHBondContact O-CG1 3.31Å; Y724-I728 PolarHBondContact O-N 2.8Å; Y724-Y743 VanDerWaalsContact CB-OH 3.27Å; Y724-Y743 WeakPolarHBondContact CB-OH 3.47Å; Y724-Y743 AromaticContact CD1-CD2 3.79Å; Y724-Y743 HydrophobicContact CD1-CD2 3.79Å; Y724-Y743 AromaticContact CD1-CE2 3.17Å; Y724-Y743 HydrophobicContact CD1-CE2 3.17Å; Y724-Y743 AromaticContact CD1-CZ 3.63Å; Y724-Y743 HydrophobicContact CD2-CE2 4.08Å; Y724-Y743 WeakPolarHBondContact CD2-OH 3.2Å; Y724-Y743 AromaticContact CE1-CD2 3.97Å; Y724-Y743 HydrophobicContact CE1-CD2 3.97Å; Y724-Y743 AromaticContact CE1-CE2 3.45Å; Y724-Y743 HydrophobicContact CE1-CE2 3.45Å; Y724-Y743 VanDerWaalsContact CE1-CE2 3.45Å; Y724-Y743 HydrophobicContact CE2-CE2 4.3Å; Y724-Y743 HydrophobicContact CG-CE1 4.49Å; Y724-Y743 AromaticContact CG-CE2 3.53Å; Y724-Y743 HydrophobicContact CG-CE2 3.53Å; Y724-Y743 AromaticContact CG-CZ 3.5Å
725K86.1Confident86.9Confident158 Ų15861 Ų6169%0.68728%0.276SS*.Hα-helixtrans-57.5-42.4172.2-72.3-175.4177.7177.40111.6M699 F723 Y729M699-K725 HydrophobicContact SD-CB 4.2Å; F723-K725 VanDerWaalsContact C-N 3.32Å; F723-K725 HydrophobicContact CE2-CB 4.25Å; F723-K725 HydrophobicContact CZ-CB 4.37Å; F723-K725 PolarHBondContact O-N 2.98Å; K725-Y729 PolarHBondContact O-N 2.97Å
726G85.8Confident86.8Confident0 Ų063.1 Ų63.10%029%0.287CS..Hα-helixtrans-69.5-39.9173.800000113F723 Y724 I728 Y729 L730F723-G726 VanDerWaalsContact CE1-CA 3.49Å; F723-G726 PolarHBondContact O-N 3.23Å; F723-G726 VanDerWaalsContact O-N 3.15Å; Y724-G726 VanDerWaalsContact C-N 3.28Å; Y724-G726 PolarHBondContact O-N 2.74Å; G726-I728 VanDerWaalsContact C-N 3.35Å; G726-I728 PolarHBondContact O-N 3.26Å; G726-Y729 PolarHBondContact O-N 3.37Å; G726-L730 WeakPolarHBondContact O-CG 3.35Å; G726-L730 PolarHBondContact O-N 3.05Å
727C87.5Confident86.7Confident0 Ų059.6 Ų59.60%026%0.264CS..Hα-helixtrans-58.7-45175.5-62.30000112.2L715 C718 H719 F723 Y724 L730 W731L715-C727 HydrophobicContact CD1-CB 4.07Å; C718-C727 VanDerWaalsContact C-SG 3.58Å; C718-C727 VanDerWaalsContact CB-SG 3.54Å; H719-C727 PolarHBondContact N-SG 3.34Å; H719-C727 VanDerWaalsContact N-SG 3.43Å; F723-C727 PolarHBondContact O-N 3.42Å; F723-C727 VanDerWaalsContact O-N 3.16Å; F723-C727 PolarHBondContact O-SG 3.05Å; Y724-C727 WeakPolarHBondContact O-CB 3.37Å; Y724-C727 PolarHBondContact O-N 3.1Å; Y724-C727 VanDerWaalsContact O-N 3.17Å; C727-L730 PolarHBondContact O-N 3.27Å; C727-W731 HydrophobicContact CB-CD2 4.49Å; C727-W731 HydrophobicContact CB-CE3 4.26Å; C727-W731 HydrophobicContact CB-CH2 4.14Å; C727-W731 HydrophobicContact CB-CZ2 4.35Å; C727-W731 HydrophobicContact CB-CZ3 4.08Å; C727-W731 WeakPolarHBondContact O-CB 3.48Å; C727-W731 VanDerWaalsContact O-CG 3.29Å; C727-W731 PolarHBondContact O-N 3.17Å
728I86.7Confident86.7Confident27 Ų2759.9 Ų59.914%0.13827%0.266CS..Hα-helixtrans-60.4-51178.5-66.9160.5000109.9Y724 G726 L730 W731 E732 Y743 Y744Y724-I728 WeakPolarHBondContact O-CD1 3.38Å; Y724-I728 VanDerWaalsContact O-CG1 3.27Å; Y724-I728 WeakPolarHBondContact O-CG1 3.31Å; Y724-I728 PolarHBondContact O-N 2.8Å; G726-I728 VanDerWaalsContact C-N 3.35Å; G726-I728 PolarHBondContact O-N 3.26Å; I728-L730 VanDerWaalsContact C-N 3.3Å; I728-L730 PolarHBondContact O-N 3.04Å; I728-W731 HydrophobicContact CG1-CE3 4.42Å; I728-W731 PolarHBondContact O-N 3.14Å; I728-E732 HydrophobicContact CG2-CG 4.49Å; I728-E732 WeakPolarHBondContact O-CG 3.37Å; I728-E732 PolarHBondContact O-N 3.16Å; I728-Y743 HydrophobicContact CD1-CD1 4.37Å; I728-Y743 HydrophobicContact CD1-CE1 4.09Å; I728-Y743 HydrophobicContact CG1-CD1 4.48Å; I728-Y744 HydrophobicContact CD1-CE1 4.32Å
729Y88.6Confident86.4Confident59 Ų5963.5 Ų63.523%0.23128%0.283CS..Hα-helixtrans-56-42.7177.2172.5-99.7000112.8L702 K725 G726 E732 K733L702-Y729 HydrophobicContact CB-CD1 4.08Å; L702-Y729 HydrophobicContact CB-CE1 3.98Å; L702-Y729 WeakPolarHBondContact O-CE1 3.32Å; L702-Y729 PolarHBondContact O-OH 2.9Å; K725-Y729 PolarHBondContact O-N 2.97Å; G726-Y729 PolarHBondContact O-N 3.37Å; Y729-E732 PolarHBondContact O-N 2.98Å; Y729-K733 WeakPolarHBondContact O-CB 3.44Å; Y729-K733 PolarHBondContact O-N 3.39Å
730L87.3Confident86.4Confident0 Ų058.6 Ų58.60%026%0.26CS..Hα-helixtrans-71.5-37.1178.9-69.4173.5000112.8L702 Y709 A714 L715 G726 C727 I728 E732 K733 Q734L702-L730 HydrophobicContact CD2-CD1 4.5Å; L702-L730 HydrophobicContact CD2-CD2 4.42Å; Y709-L730 HydrophobicContact CE2-CD2 3.85Å; Y709-L730 WeakPolarHBondContact OH-CD2 3.37Å; A714-L730 HydrophobicContact CB-CD1 3.81Å; L715-L730 HydrophobicContact CB-CB 4.5Å; L715-L730 HydrophobicContact CB-CD1 3.99Å; L715-L730 HydrophobicContact CD1-CB 4.13Å; L715-L730 HydrophobicContact CD1-CD1 4.45Å; G726-L730 WeakPolarHBondContact O-CG 3.35Å; G726-L730 PolarHBondContact O-N 3.05Å; C727-L730 PolarHBondContact O-N 3.27Å; I728-L730 VanDerWaalsContact C-N 3.3Å; I728-L730 PolarHBondContact O-N 3.04Å; L730-E732 VanDerWaalsContact C-N 3.34Å; L730-K733 PolarHBondContact O-N 3.45Å; L730-Q734 WeakPolarHBondContact O-CB 3.48Å; L730-Q734 WeakPolarHBondContact O-CG 3.27Å; L730-Q734 PolarHBondContact O-N 2.89Å
731W88.7Confident86.3Confident22 Ų2252.2 Ų52.28%0.08323%0.23CC..Hα-helixtrans-64.5-39173.1-72-34.2000111.9C727 I728 Q734 K735 L736 Q739 I740 Y743C727-W731 HydrophobicContact CB-CD2 4.49Å; C727-W731 HydrophobicContact CB-CE3 4.26Å; C727-W731 HydrophobicContact CB-CH2 4.14Å; C727-W731 HydrophobicContact CB-CZ2 4.35Å; C727-W731 HydrophobicContact CB-CZ3 4.08Å; C727-W731 WeakPolarHBondContact O-CB 3.48Å; C727-W731 VanDerWaalsContact O-CG 3.29Å; C727-W731 PolarHBondContact O-N 3.17Å; I728-W731 HydrophobicContact CG1-CE3 4.42Å; I728-W731 PolarHBondContact O-N 3.14Å; W731-Q734 PolarHBondContact O-N 3.44Å; W731-K735 PolarHBondContact O-N 2.88Å; W731-L736 HydrophobicContact CB-CB 4.36Å; W731-L736 HydrophobicContact CG-CB 4.48Å; W731-L736 PolarHBondContact O-N 3.45Å; W731-Q739 HydrophobicContact CD2-CB 3.94Å; W731-Q739 HydrophobicContact CG-CB 4.18Å; W731-Q739 HydrophobicContact CZ2-CB 4.1Å; W731-I740 HydrophobicContact CB-CD1 3.9Å; W731-I740 HydrophobicContact CB-CG1 3.51Å; W731-I740 HydrophobicContact CD2-CG1 4.33Å; W731-I740 HydrophobicContact CE3-CG1 3.95Å; W731-I740 HydrophobicContact CG-CG1 4.23Å; W731-Y743 HydrophobicContact CH2-CG 4.38Å; W731-Y743 HydrophobicContact CZ3-CD1 4.5Å; W731-Y743 HydrophobicContact CZ3-CG 4.04Å
732E86.7Confident86.3Confident76 Ų7654.4 Ų54.436%0.35524%0.238SC..Hα-helixtrans-63.2-46.2174.3-71.5-180153.600111.2I728 Y729 L730 Q734 K735 I740 Y760I728-E732 HydrophobicContact CG2-CG 4.49Å; I728-E732 WeakPolarHBondContact O-CG 3.37Å; I728-E732 PolarHBondContact O-N 3.16Å; Y729-E732 PolarHBondContact O-N 2.98Å; L730-E732 VanDerWaalsContact C-N 3.34Å; E732-Q734 VanDerWaalsContact C-N 3.35Å; E732-Q734 PolarHBondContact O-N 3.43Å; E732-K735 PolarHBondContact O-N 3.01Å; E732-K735 VanDerWaalsContact O-N 3.16Å; E732-I740 HydrophobicContact CG-CD1 3.56Å; E732-Y760 PolarHBondContact OE1-OH 2.89Å
733K84.7Confident86.4Confident75 Ų7548.4 Ų48.433%0.32621%0.212SC..Hα-helixtrans-61.8-40.6178-161.9-177.3-174.4-155.70112.4E711 Y729 L730 K735E711-K733 VanDerWaalsContact OE1-CD 3.31Å; E711-K733 WeakPolarHBondContact OE1-CD 3.33Å; E711-K733 WeakPolarHBondContact OE1-CE 3.42Å; E711-K733 IonicContact OE1-NZ 2.72Å; E711-K733 PolarHBondContact OE1-NZ 3.15Å; Y729-K733 WeakPolarHBondContact O-CB 3.44Å; Y729-K733 PolarHBondContact O-N 3.39Å; L730-K733 PolarHBondContact O-N 3.45Å; K733-K735 VanDerWaalsContact C-N 3.32Å
734Q86.6Confident86.3Confident49 Ų4949.3 Ų49.323%0.22922%0.215CC..THydrogen-bonded Turntrans-84.10.1177.8-68-178.821.500114.2E711 L730 W731 E732 L736E711-Q734 VanDerWaalsContact C-NE2 3.28Å; E711-Q734 HydrophobicContact CB-CG 4.48Å; E711-Q734 PolarHBondContact O-NE2 3.22Å; E711-Q734 VanDerWaalsContact OE2-CG 3.32Å; E711-Q734 WeakPolarHBondContact OE2-CG 3.32Å; L730-Q734 WeakPolarHBondContact O-CB 3.48Å; L730-Q734 WeakPolarHBondContact O-CG 3.27Å; L730-Q734 PolarHBondContact O-N 2.89Å; W731-Q734 PolarHBondContact O-N 3.44Å; E732-Q734 VanDerWaalsContact C-N 3.35Å; E732-Q734 PolarHBondContact O-N 3.43Å; Q734-L736 VanDerWaalsContact C-N 3.27Å; Q734-L736 HydrophobicContact CB-CD1 4.09Å; Q734-L736 HydrophobicContact CB-CG 4.06Å; Q734-L736 PolarHBondContact O-N 2.91Å
735K85.7Confident86.2Confident141 Ų14147.8 Ų47.861%0.61321%0.211SC*.THydrogen-bonded Turntrans59.431.2-176.9-50-176178.7-176.20114.4W731 E732 K733 Y737W731-K735 PolarHBondContact O-N 2.88Å; E732-K735 PolarHBondContact O-N 3.01Å; E732-K735 VanDerWaalsContact O-N 3.16Å; K733-K735 VanDerWaalsContact C-N 3.32Å; K735-Y737 VanDerWaalsContact C-N 3.29Å; K735-Y737 HydrophobicContact CB-CE2 3.94Å; K735-Y737 PolarHBondContact O-N 3.18Å
736L85.6Confident86.1Confident71 Ų7144.1 Ų44.137%0.37221%0.205SC..  trans-90.755.6177.6-65.9174.9000111.4W731 Q734 D738 Q739W731-L736 HydrophobicContact CB-CB 4.36Å; W731-L736 HydrophobicContact CG-CB 4.48Å; W731-L736 PolarHBondContact O-N 3.45Å; Q734-L736 VanDerWaalsContact C-N 3.27Å; Q734-L736 HydrophobicContact CB-CD1 4.09Å; Q734-L736 HydrophobicContact CB-CG 4.06Å; Q734-L736 PolarHBondContact O-N 2.91Å; L736-D738 PolarHBondContact O-N 2.85Å; L736-Q739 HydrophobicContact CB-CG 4.29Å; L736-Q739 PolarHBondContact O-N 2.85Å
737Y87.2Confident86Confident20 Ų2048.6 Ų48.68%0.07823%0.226CC..Hα-helixtrans-60.2-31.5-173.7-52.2-55.9000114K735 Q739 I740 L741 Y760 Q763K735-Y737 VanDerWaalsContact C-N 3.29Å; K735-Y737 HydrophobicContact CB-CE2 3.94Å; K735-Y737 PolarHBondContact O-N 3.18Å; Y737-Q739 VanDerWaalsContact C-N 3.27Å; Y737-Q739 PolarHBondContact O-N 3.16Å; Y737-I740 HydrophobicContact CD1-CD1 4.13Å; Y737-I740 WeakPolarHBondContact O-CB 3.45Å; Y737-I740 PolarHBondContact O-N 3.16Å; Y737-I740 VanDerWaalsContact O-N 3.15Å; Y737-L741 PolarHBondContact O-N 3.4Å; Y737-Y760 AromaticContact CD1-CD1 3.54Å; Y737-Y760 HydrophobicContact CD1-CD1 3.54Å; Y737-Y760 AromaticContact CD1-CD2 3.85Å; Y737-Y760 HydrophobicContact CD1-CD2 3.85Å; Y737-Y760 AromaticContact CD1-CE1 3.83Å; Y737-Y760 HydrophobicContact CD1-CE1 3.83Å; Y737-Y760 HydrophobicContact CD1-CE2 4.11Å; Y737-Y760 AromaticContact CD1-CG 3.53Å; Y737-Y760 HydrophobicContact CD1-CG 3.53Å; Y737-Y760 HydrophobicContact CD2-CD1 4.31Å; Y737-Y760 HydrophobicContact CD2-CG 4.3Å; Y737-Y760 AromaticContact CE1-CD1 3.27Å; Y737-Y760 HydrophobicContact CE1-CD1 3.27Å; Y737-Y760 HydrophobicContact CE1-CD2 4.34Å; Y737-Y760 AromaticContact CE1-CE1 3.31Å; Y737-Y760 HydrophobicContact CE1-CE1 3.31Å; Y737-Y760 HydrophobicContact CE1-CE2 4.37Å; Y737-Y760 AromaticContact CE1-CG 3.81Å; Y737-Y760 HydrophobicContact CE1-CG 3.81Å; Y737-Y760 AromaticContact CE1-CZ 3.88Å; Y737-Y760 HydrophobicContact CE2-CD1 4.06Å; Y737-Y760 HydrophobicContact CG-CD1 4.07Å; Y737-Y760 HydrophobicContact CG-CD2 4.35Å; Y737-Y760 AromaticContact CG-CG 3.82Å; Y737-Y760 HydrophobicContact CG-CG 3.82Å; Y737-Y760 AromaticContact CZ-CD1 3.55Å; Y737-Y760 AromaticContact CZ-CE1 3.86Å; Y737-Q763 HydrophobicContact CE2-CB 4.43Å; Y737-Q763 PolarHBondContact OH-OE1 3.3Å
738D85.2Confident85.7Confident27 Ų2752.7 Ų52.714%0.14425%0.248CC..Hα-helixtrans-61-34.7176.6170.657.9000112.4L736 R742 M764 L767L736-D738 PolarHBondContact O-N 2.85Å; D738-R742 VanDerWaalsContact CG-CZ 3.42Å; D738-R742 WeakPolarHBondContact O-CG 3.27Å; D738-R742 PolarHBondContact O-N 3.36Å; D738-R742 IonicContact OD1-CZ 3.14Å; D738-R742 VanDerWaalsContact OD1-CZ 3.22Å; D738-R742 IonicContact OD1-NE 2.74Å; D738-R742 IonicContact OD1-NH1 2.81Å; D738-R742 PolarHBondContact OD1-NH1 3Å; D738-R742 IonicContact OD1-NH2 2.66Å; D738-R742 PolarHBondContact OD1-NH2 3.3Å; D738-R742 IonicContact OD2-CZ 3.67Å; D738-R742 IonicContact OD2-NH1 3.3Å; D738-R742 PolarHBondContact OD2-NH1 3.35Å; D738-R742 IonicContact OD2-NH2 3.74Å; D738-R742 PolarHBondContact OD2-NH2 3.36Å; D738-M764 HydrophobicContact CB-CE 3.94Å; D738-M764 HydrophobicContact CB-SD 4.13Å; D738-L767 HydrophobicContact CB-CD2 4.05Å
739Q85.1Confident85.5Confident75 Ų7554.9 Ų54.935%0.3526%0.258SS..Hα-helixtrans-72.5-36.2174.8-58.7-58.3-28.300112.2W731 L736 Y737 R742 Y743W731-Q739 HydrophobicContact CD2-CB 3.94Å; W731-Q739 HydrophobicContact CG-CB 4.18Å; W731-Q739 HydrophobicContact CZ2-CB 4.1Å; L736-Q739 HydrophobicContact CB-CG 4.29Å; L736-Q739 PolarHBondContact O-N 2.85Å; Y737-Q739 VanDerWaalsContact C-N 3.27Å; Y737-Q739 PolarHBondContact O-N 3.16Å; Q739-R742 PolarHBondContact O-N 2.99Å; Q739-Y743 WeakPolarHBondContact O-CB 3.38Å; Q739-Y743 PolarHBondContact O-N 3.15Å
740I85.7Confident85.2Confident1 Ų153.7 Ų53.71%0.00526%0.256CS..Hα-helixtrans-61.1-47.8174.8-53.5177.7000109.6W731 E732 Y737 Y743 Y744 V756W731-I740 HydrophobicContact CB-CD1 3.9Å; W731-I740 HydrophobicContact CB-CG1 3.51Å; W731-I740 HydrophobicContact CD2-CG1 4.33Å; W731-I740 HydrophobicContact CE3-CG1 3.95Å; W731-I740 HydrophobicContact CG-CG1 4.23Å; E732-I740 HydrophobicContact CG-CD1 3.56Å; Y737-I740 HydrophobicContact CD1-CD1 4.13Å; Y737-I740 WeakPolarHBondContact O-CB 3.45Å; Y737-I740 PolarHBondContact O-N 3.16Å; Y737-I740 VanDerWaalsContact O-N 3.15Å; I740-Y743 WeakPolarHBondContact O-CB 3.46Å; I740-Y743 PolarHBondContact O-N 3.15Å; I740-Y744 HydrophobicContact CG2-CD2 3.76Å; I740-Y744 HydrophobicContact CG2-CE2 3.37Å; I740-Y744 WeakPolarHBondContact O-CD2 3.28Å; I740-Y744 PolarHBondContact O-N 2.62Å; I740-V756 HydrophobicContact CG2-CG2 3.88Å
741L84.7Confident85Confident0 Ų063.2 Ų63.20%029%0.292CS..Hα-helixtrans-60.7-47.8178-169.669.1000111.3Y737 Y743 Y744 I745 I753 V756 L767 T770Y737-L741 PolarHBondContact O-N 3.4Å; L741-Y743 VanDerWaalsContact C-N 3.29Å; L741-Y743 PolarHBondContact O-N 2.9Å; L741-Y744 PolarHBondContact O-N 3.48Å; L741-I745 HydrophobicContact CD2-CD1 4.46Å; L741-I745 HydrophobicContact CG-CD1 3.96Å; L741-I745 WeakPolarHBondContact O-CB 3.49Å; L741-I745 VanDerWaalsContact O-CG1 3.25Å; L741-I745 WeakPolarHBondContact O-CG1 3.37Å; L741-I745 PolarHBondContact O-N 3.24Å; L741-I753 HydrophobicContact CD1-CB 4.16Å; L741-I753 HydrophobicContact CD1-CG2 3.57Å; L741-V756 HydrophobicContact CB-CG1 4.12Å; L741-V756 HydrophobicContact CD1-CB 4.21Å; L741-V756 HydrophobicContact CD1-CG1 4.01Å; L741-L767 HydrophobicContact CB-CD2 4.3Å; L741-L767 HydrophobicContact CD2-CB 4.19Å; L741-L767 HydrophobicContact CD2-CD2 4.01Å; L741-L767 WeakPolarHBondContact CD2-O 3.49Å; L741-T770 HydrophobicContact CD2-CG2 4.03Å
742R85.8Confident84.8Confident108 Ų10865.5 Ų65.541%0.40830%0.304SS..Hα-helixtrans-60.4-37.7176.3-73.7-163.1-162.291.79.4112.9D738 Q739 I745 S746D738-R742 VanDerWaalsContact CG-CZ 3.42Å; D738-R742 WeakPolarHBondContact O-CG 3.27Å; D738-R742 PolarHBondContact O-N 3.36Å; D738-R742 IonicContact OD1-CZ 3.14Å; D738-R742 VanDerWaalsContact OD1-CZ 3.22Å; D738-R742 IonicContact OD1-NE 2.74Å; D738-R742 IonicContact OD1-NH1 2.81Å; D738-R742 PolarHBondContact OD1-NH1 3Å; D738-R742 IonicContact OD1-NH2 2.66Å; D738-R742 PolarHBondContact OD1-NH2 3.3Å; D738-R742 IonicContact OD2-CZ 3.67Å; D738-R742 IonicContact OD2-NH1 3.3Å; D738-R742 PolarHBondContact OD2-NH1 3.35Å; D738-R742 IonicContact OD2-NH2 3.74Å; D738-R742 PolarHBondContact OD2-NH2 3.36Å; Q739-R742 PolarHBondContact O-N 2.99Å; R742-I745 WeakPolarHBondContact O-CB 3.15Å; R742-I745 PolarHBondContact O-N 3.06Å; R742-S746 WeakPolarHBondContact O-CB 3.36Å; R742-S746 PolarHBondContact O-N 3.21Å
743Y85.4Confident84.7Confident32 Ų3261.9 Ų61.913%0.12529%0.287CS..Hα-helixtrans-63-50.7175.2173.3-105.6000111.1Y724 I728 W731 Q739 I740 L741 I745 S746 Q747 M749Y724-Y743 VanDerWaalsContact CB-OH 3.27Å; Y724-Y743 WeakPolarHBondContact CB-OH 3.47Å; Y724-Y743 AromaticContact CD1-CD2 3.79Å; Y724-Y743 HydrophobicContact CD1-CD2 3.79Å; Y724-Y743 AromaticContact CD1-CE2 3.17Å; Y724-Y743 HydrophobicContact CD1-CE2 3.17Å; Y724-Y743 AromaticContact CD1-CZ 3.63Å; Y724-Y743 HydrophobicContact CD2-CE2 4.08Å; Y724-Y743 WeakPolarHBondContact CD2-OH 3.2Å; Y724-Y743 AromaticContact CE1-CD2 3.97Å; Y724-Y743 HydrophobicContact CE1-CD2 3.97Å; Y724-Y743 AromaticContact CE1-CE2 3.45Å; Y724-Y743 HydrophobicContact CE1-CE2 3.45Å; Y724-Y743 VanDerWaalsContact CE1-CE2 3.45Å; Y724-Y743 HydrophobicContact CE2-CE2 4.3Å; Y724-Y743 HydrophobicContact CG-CE1 4.49Å; Y724-Y743 AromaticContact CG-CE2 3.53Å; Y724-Y743 HydrophobicContact CG-CE2 3.53Å; Y724-Y743 AromaticContact CG-CZ 3.5Å; I728-Y743 HydrophobicContact CD1-CD1 4.37Å; I728-Y743 HydrophobicContact CD1-CE1 4.09Å; I728-Y743 HydrophobicContact CG1-CD1 4.48Å; W731-Y743 HydrophobicContact CH2-CG 4.38Å; W731-Y743 HydrophobicContact CZ3-CD1 4.5Å; W731-Y743 HydrophobicContact CZ3-CG 4.04Å; Q739-Y743 WeakPolarHBondContact O-CB 3.38Å; Q739-Y743 PolarHBondContact O-N 3.15Å; I740-Y743 WeakPolarHBondContact O-CB 3.46Å; I740-Y743 PolarHBondContact O-N 3.15Å; L741-Y743 VanDerWaalsContact C-N 3.29Å; L741-Y743 PolarHBondContact O-N 2.9Å; Y743-I745 VanDerWaalsContact C-N 3.28Å; Y743-I745 PolarHBondContact O-N 3Å; Y743-S746 WeakPolarHBondContact O-CB 3.25Å; Y743-S746 PolarHBondContact O-N 2.7Å; Y743-S746 PolarHBondContact O-OG 2.77Å; Y743-Q747 HydrophobicContact CD2-CG 4.27Å; Y743-Q747 HydrophobicContact CE1-CG 4.13Å; Y743-Q747 HydrophobicContact CE2-CG 3.73Å; Y743-Q747 WeakPolarHBondContact O-CG 3.4Å; Y743-Q747 PolarHBondContact O-N 3.23Å; Y743-M749 HydrophobicContact CE1-CE 4.17Å
744Y87.3Confident84.6Confident31 Ų3159.1 Ų59.112%0.12228%0.275CS..Hα-helixtrans-63.1-34.6177.4-68.7-49000112.9I728 I740 L741 Q747 D748 M749 E752 V756I728-Y744 HydrophobicContact CD1-CE1 4.32Å; I740-Y744 HydrophobicContact CG2-CD2 3.76Å; I740-Y744 HydrophobicContact CG2-CE2 3.37Å; I740-Y744 WeakPolarHBondContact O-CD2 3.28Å; I740-Y744 PolarHBondContact O-N 2.62Å; L741-Y744 PolarHBondContact O-N 3.48Å; Y744-Q747 CarbonylContact O-C 3.57Å; Y744-Q747 PolarHBondContact O-N 3.48Å; Y744-D748 PolarHBondContact O-N 3.34Å; Y744-M749 HydrophobicContact CD1-CB 4.2Å; Y744-M749 HydrophobicContact CD1-CE 3.57Å; Y744-M749 HydrophobicContact CD1-SD 4.13Å; Y744-M749 HydrophobicContact CE1-CE 3.86Å; Y744-M749 HydrophobicContact CE1-SD 4.35Å; Y744-M749 PolarHBondContact O-N 3.16Å; Y744-E752 HydrophobicContact CD1-CB 3.81Å; Y744-E752 HydrophobicContact CD1-CG 4.38Å; Y744-E752 HydrophobicContact CD2-CB 3.86Å; Y744-E752 HydrophobicContact CE1-CB 3.92Å; Y744-E752 HydrophobicContact CE1-CG 4.18Å; Y744-E752 HydrophobicContact CE2-CB 3.92Å; Y744-E752 HydrophobicContact CG-CB 3.81Å; Y744-V756 HydrophobicContact CD2-CG2 3.79Å; Y744-V756 HydrophobicContact CE2-CG2 3.7Å
745I84.5Confident84.6Confident31 Ų3159.5 Ų59.516%0.15928%0.279CS..Hα-helixtrans-59.2-46.2169.7-75.3166.2000111L741 R742 Y743 Q747 D748 I753 T770 N774L741-I745 HydrophobicContact CD2-CD1 4.46Å; L741-I745 HydrophobicContact CG-CD1 3.96Å; L741-I745 WeakPolarHBondContact O-CB 3.49Å; L741-I745 VanDerWaalsContact O-CG1 3.25Å; L741-I745 WeakPolarHBondContact O-CG1 3.37Å; L741-I745 PolarHBondContact O-N 3.24Å; R742-I745 WeakPolarHBondContact O-CB 3.15Å; R742-I745 PolarHBondContact O-N 3.06Å; Y743-I745 VanDerWaalsContact C-N 3.28Å; Y743-I745 PolarHBondContact O-N 3Å; I745-Q747 PolarHBondContact O-N 3.03Å; I745-D748 PolarHBondContact O-N 3.4Å; I745-D748 VanDerWaalsContact O-N 3.12Å; I745-I753 HydrophobicContact CB-CD1 4.37Å; I745-I753 HydrophobicContact CG1-CD1 3.72Å; I745-I753 HydrophobicContact CG1-CG1 4.16Å; I745-T770 HydrophobicContact CD1-CG2 4.26Å; I745-N774 HydrophobicContact CD1-CB 3.93Å; I745-N774 HydrophobicContact CG1-CB 4.26Å; I745-N774 WeakPolarHBondContact CG2-ND2 3.31Å
746S83.3Confident84.6Confident81 Ų8153.1 Ų53.157%0.56625%0.252SS*.Hα-helixtrans-65.7-28-179.777.20000113.3R742 Y743R742-S746 WeakPolarHBondContact O-CB 3.36Å; R742-S746 PolarHBondContact O-N 3.21Å; Y743-S746 WeakPolarHBondContact O-CB 3.25Å; Y743-S746 PolarHBondContact O-N 2.7Å; Y743-S746 PolarHBondContact O-OG 2.77Å
747Q83Confident84.6Confident94 Ų9449.8 Ų49.844%0.43923%0.234SC..THydrogen-bonded Turntrans-93.22.1176.6-59.5-57-50.200113.2Y743 Y744 I745 M749Y743-Q747 HydrophobicContact CD2-CG 4.27Å; Y743-Q747 HydrophobicContact CE1-CG 4.13Å; Y743-Q747 HydrophobicContact CE2-CG 3.73Å; Y743-Q747 WeakPolarHBondContact O-CG 3.4Å; Y743-Q747 PolarHBondContact O-N 3.23Å; Y744-Q747 CarbonylContact O-C 3.57Å; Y744-Q747 PolarHBondContact O-N 3.48Å; I745-Q747 PolarHBondContact O-N 3.03Å; Q747-M749 HydrophobicContact CB-CE 3.49Å; Q747-M749 VanDerWaalsContact CB-CE 3.49Å; Q747-M749 HydrophobicContact CB-CG 4.09Å; Q747-M749 HydrophobicContact CG-CE 3.83Å; Q747-M749 PolarHBondContact O-N 2.86Å
748D81.1Confident84.6Confident87 Ų8753.2 Ų53.247%0.46525%0.251SS..THydrogen-bonded Turntrans55.731.3-177.7-155.833.2000114.7Y744 I745 N750 K778Y744-D748 PolarHBondContact O-N 3.34Å; I745-D748 PolarHBondContact O-N 3.4Å; I745-D748 VanDerWaalsContact O-N 3.12Å; D748-N750 PolarHBondContact O-N 3.46Å; D748-N750 VanDerWaalsContact O-N 3.1Å; D748-N750 PolarHBondContact O-ND2 3.06Å; D748-K778 IonicContact OD1-NZ 3.57Å; D748-K778 PolarHBondContact OD1-NZ 3.12Å
749M84.1Confident84.5Confident72 Ų7257.2 Ų57.236%0.35527%0.272SS..  trans-8674.5-178.4-72.3-166.1-98.200111.9Y743 Y744 Q747 R751 E752 I753Y743-M749 HydrophobicContact CE1-CE 4.17Å; Y744-M749 HydrophobicContact CD1-CB 4.2Å; Y744-M749 HydrophobicContact CD1-CE 3.57Å; Y744-M749 HydrophobicContact CD1-SD 4.13Å; Y744-M749 HydrophobicContact CE1-CE 3.86Å; Y744-M749 HydrophobicContact CE1-SD 4.35Å; Y744-M749 PolarHBondContact O-N 3.16Å; Q747-M749 HydrophobicContact CB-CE 3.49Å; Q747-M749 VanDerWaalsContact CB-CE 3.49Å; Q747-M749 HydrophobicContact CB-CG 4.09Å; Q747-M749 HydrophobicContact CG-CE 3.83Å; Q747-M749 PolarHBondContact O-N 2.86Å; M749-R751 VanDerWaalsContact C-N 3.28Å; M749-R751 PolarHBondContact O-N 3.12Å; M749-R751 VanDerWaalsContact O-N 3.14Å; M749-E752 HydrophobicContact CB-CB 4.3Å; M749-E752 HydrophobicContact CB-CG 4.36Å; M749-E752 PolarHBondContact O-N 3.17Å; M749-E752 VanDerWaalsContact O-N 3.08Å; M749-E752 HydrophobicContact SD-CG 4.45Å; M749-I753 WeakPolarHBondContact O-CG1 3.46Å; M749-I753 PolarHBondContact O-N 2.93Å; M749-I753 VanDerWaalsContact O-N 3.1Å
750N81.3Confident84.5Confident34 Ų3455.7 Ų55.718%0.18226%0.264CS..Hα-helixtrans-54.1-36.3-173.6-63.2-59.3000115.3D748 M754 Y775 H781 I784D748-N750 PolarHBondContact O-N 3.46Å; D748-N750 VanDerWaalsContact O-N 3.1Å; D748-N750 PolarHBondContact O-ND2 3.06Å; N750-M754 PolarHBondContact O-N 3.36Å; N750-Y775 PolarHBondContact OD1-OH 2.95Å; N750-H781 PolarHBondContact ND2-NE2 3.26Å; N750-H781 VanDerWaalsContact ND2-NE2 3.14Å; N750-I784 HydrophobicContact CB-CD1 4.43Å
751R84.2Confident84.1Confident201 Ų20155.6 Ų55.676%0.75826%0.263SS*.Hα-helixtrans-65.7-45.5178.1-178.7179.7-89.3-142-3.2111.6M749 M754 N755M749-R751 VanDerWaalsContact C-N 3.28Å; M749-R751 PolarHBondContact O-N 3.12Å; M749-R751 VanDerWaalsContact O-N 3.14Å; R751-M754 PolarHBondContact O-N 3.25Å; R751-N755 VanDerWaalsContact O-CG 3.29Å; R751-N755 PolarHBondContact O-N 2.83Å; R751-N755 VanDerWaalsContact O-N 3.14Å; R751-N755 PolarHBondContact O-ND2 3.37Å; R751-N755 PolarHBondContact O-OD1 2.99Å
752E83Confident83.9Confident70 Ų7061.7 Ų61.733%0.32730%0.296SS..Hα-helixtrans-72.2-32.3-178.7-57.5-52.1145.800112Y744 M749 M754 N755 V756Y744-E752 HydrophobicContact CD1-CB 3.81Å; Y744-E752 HydrophobicContact CD1-CG 4.38Å; Y744-E752 HydrophobicContact CD2-CB 3.86Å; Y744-E752 HydrophobicContact CE1-CB 3.92Å; Y744-E752 HydrophobicContact CE1-CG 4.18Å; Y744-E752 HydrophobicContact CE2-CB 3.92Å; Y744-E752 HydrophobicContact CG-CB 3.81Å; M749-E752 HydrophobicContact CB-CB 4.3Å; M749-E752 HydrophobicContact CB-CG 4.36Å; M749-E752 PolarHBondContact O-N 3.17Å; M749-E752 VanDerWaalsContact O-N 3.08Å; M749-E752 HydrophobicContact SD-CG 4.45Å; E752-M754 VanDerWaalsContact C-N 3.31Å; E752-M754 PolarHBondContact O-N 3.25Å; E752-N755 PolarHBondContact O-N 2.81Å; E752-N755 PolarHBondContact OE2-ND2 3.47Å; E752-N755 VanDerWaalsContact OE2-ND2 3.12Å; E752-V756 VanDerWaalsContact O-CG2 3.31Å; E752-V756 WeakPolarHBondContact O-CG2 3.48Å; E752-V756 PolarHBondContact O-N 3.23Å
753I84.9Confident83.6Confident0 Ų062.2 Ų62.20%030%0.303CS..Hα-helixtrans-56.7-46.9172.8-65.6170000110.4L741 I745 M749 V756 C757 Y775L741-I753 HydrophobicContact CD1-CB 4.16Å; L741-I753 HydrophobicContact CD1-CG2 3.57Å; I745-I753 HydrophobicContact CB-CD1 4.37Å; I745-I753 HydrophobicContact CG1-CD1 3.72Å; I745-I753 HydrophobicContact CG1-CG1 4.16Å; M749-I753 WeakPolarHBondContact O-CG1 3.46Å; M749-I753 PolarHBondContact O-N 2.93Å; M749-I753 VanDerWaalsContact O-N 3.1Å; I753-V756 PolarHBondContact O-N 2.64Å; I753-C757 PolarHBondContact O-N 2.94Å; I753-C757 VanDerWaalsContact O-N 3.08Å; I753-C757 PolarHBondContact O-SG 3.43Å; I753-Y775 HydrophobicContact CG2-CE2 3.9Å
754M83.2Confident83.5Confident16 Ų1663.4 Ų63.48%0.07931%0.31CS..Hα-helixtrans-67.9-42.9178.7-76.7-56.4-52.900112.5N750 R751 E752 V756 C757 E758 W768 I784 R787 V788N750-M754 PolarHBondContact O-N 3.36Å; R751-M754 PolarHBondContact O-N 3.25Å; E752-M754 VanDerWaalsContact C-N 3.31Å; E752-M754 PolarHBondContact O-N 3.25Å; M754-V756 VanDerWaalsContact C-N 3.28Å; M754-V756 PolarHBondContact O-N 3.03Å; M754-C757 PolarHBondContact O-N 3.42Å; M754-E758 HydrophobicContact CE-CG 4.31Å; M754-E758 WeakPolarHBondContact CE-OE1 3.39Å; M754-E758 WeakPolarHBondContact O-CB 3.26Å; M754-E758 WeakPolarHBondContact O-CG 3.44Å; M754-E758 PolarHBondContact O-N 3.33Å; M754-W768 HydrophobicContact CE-CH2 4.17Å; M754-W768 HydrophobicContact CE-CZ3 4.09Å; M754-I784 HydrophobicContact CG-CG2 3.96Å; M754-I784 HydrophobicContact SD-CG2 3.54Å; M754-I784 VanDerWaalsContact SD-CG2 3.54Å; M754-R787 HydrophobicContact CE-CG 4.49Å; M754-V788 HydrophobicContact SD-CG2 4.36Å
755N87Confident83.3Confident57 Ų5764.1 Ų64.131%0.30532%0.319SS..Hα-helixtrans-56.2-45.1175-64.6-16.4000110.8R751 E752 C757 E758 D759R751-N755 VanDerWaalsContact O-CG 3.29Å; R751-N755 PolarHBondContact O-N 2.83Å; R751-N755 VanDerWaalsContact O-N 3.14Å; R751-N755 PolarHBondContact O-ND2 3.37Å; R751-N755 PolarHBondContact O-OD1 2.99Å; E752-N755 PolarHBondContact O-N 2.81Å; E752-N755 PolarHBondContact OE2-ND2 3.47Å; E752-N755 VanDerWaalsContact OE2-ND2 3.12Å; N755-C757 PolarHBondContact O-N 3.26Å; N755-E758 PolarHBondContact O-N 3Å; N755-D759 VanDerWaalsContact O-CB 3.28Å; N755-D759 WeakPolarHBondContact O-CB 3.28Å; N755-D759 VanDerWaalsContact O-CG 3.23Å; N755-D759 PolarHBondContact O-N 2.86Å
756V86.2Confident83.2Confident8 Ų866.8 Ų66.85%0.04833%0.333CS..Hα-helixtrans-63.4-42.5178.4169.60000112.1I740 L741 Y744 E752 I753 M754 Y760I740-V756 HydrophobicContact CG2-CG2 3.88Å; L741-V756 HydrophobicContact CB-CG1 4.12Å; L741-V756 HydrophobicContact CD1-CB 4.21Å; L741-V756 HydrophobicContact CD1-CG1 4.01Å; Y744-V756 HydrophobicContact CD2-CG2 3.79Å; Y744-V756 HydrophobicContact CE2-CG2 3.7Å; E752-V756 VanDerWaalsContact O-CG2 3.31Å; E752-V756 WeakPolarHBondContact O-CG2 3.48Å; E752-V756 PolarHBondContact O-N 3.23Å; I753-V756 PolarHBondContact O-N 2.64Å; M754-V756 VanDerWaalsContact C-N 3.28Å; M754-V756 PolarHBondContact O-N 3.03Å; V756-Y760 HydrophobicContact CB-CD2 4.44Å; V756-Y760 HydrophobicContact CG1-CD2 4.06Å; V756-Y760 WeakPolarHBondContact O-CB 3.25Å; V756-Y760 PolarHBondContact O-N 3.35Å
757C84.8Confident83.4Confident0 Ų063 Ų630%031%0.306CS..Hα-helixtrans-65.8-38.3175.8-71.80000112.1I753 M754 N755 G761 W768I753-C757 PolarHBondContact O-N 2.94Å; I753-C757 VanDerWaalsContact O-N 3.08Å; I753-C757 PolarHBondContact O-SG 3.43Å; M754-C757 PolarHBondContact O-N 3.42Å; N755-C757 PolarHBondContact O-N 3.26Å; C757-G761 WeakPolarHBondContact O-CA 3.48Å; C757-G761 PolarHBondContact O-N 3.43Å; C757-W768 VanDerWaalsContact C-CZ2 3.49Å; C757-W768 HydrophobicContact CB-CD2 4.2Å; C757-W768 HydrophobicContact CB-CE3 4.09Å; C757-W768 HydrophobicContact CB-CH2 3.7Å; C757-W768 HydrophobicContact CB-CZ2 3.79Å; C757-W768 HydrophobicContact CB-CZ3 3.86Å; C757-W768 WeakPolarHBondContact O-CZ2 3.44Å
758E86.4Confident83.6Confident92 Ų9258.9 Ų58.943%0.4329%0.287SS..Hα-helixtrans-72.2-44.8179.3-71.5176.3-176.400111.7M754 N755 W768 R787M754-E758 HydrophobicContact CE-CG 4.31Å; M754-E758 WeakPolarHBondContact CE-OE1 3.39Å; M754-E758 WeakPolarHBondContact O-CB 3.26Å; M754-E758 WeakPolarHBondContact O-CG 3.44Å; M754-E758 PolarHBondContact O-N 3.33Å; N755-E758 PolarHBondContact O-N 3Å; E758-W768 HydrophobicContact CG-CH2 4.17Å; E758-R787 IonicContact OE1-NH1 3Å
759D84.1Confident83.8Confident111 Ų11156.4 Ų56.459%0.59427%0.274SS*.Hα-helixtrans-73.5-40.7-177.4-69-25.3000112.4N755N755-D759 VanDerWaalsContact O-CB 3.28Å; N755-D759 WeakPolarHBondContact O-CB 3.28Å; N755-D759 VanDerWaalsContact O-CG 3.23Å; N755-D759 PolarHBondContact O-N 2.86Å
760Y84.1Confident83.8Confident43 Ų4354.5 Ų54.517%0.16927%0.266CS..Hα-helixtrans-111.4-7.6-172.1-55.2-66.9000114.4E732 Y737 V756 N762 Q763 M764E732-Y760 PolarHBondContact OE1-OH 2.89Å; Y737-Y760 AromaticContact CD1-CD1 3.54Å; Y737-Y760 HydrophobicContact CD1-CD1 3.54Å; Y737-Y760 AromaticContact CD1-CD2 3.85Å; Y737-Y760 HydrophobicContact CD1-CD2 3.85Å; Y737-Y760 AromaticContact CD1-CE1 3.83Å; Y737-Y760 HydrophobicContact CD1-CE1 3.83Å; Y737-Y760 HydrophobicContact CD1-CE2 4.11Å; Y737-Y760 AromaticContact CD1-CG 3.53Å; Y737-Y760 HydrophobicContact CD1-CG 3.53Å; Y737-Y760 HydrophobicContact CD2-CD1 4.31Å; Y737-Y760 HydrophobicContact CD2-CG 4.3Å; Y737-Y760 AromaticContact CE1-CD1 3.27Å; Y737-Y760 HydrophobicContact CE1-CD1 3.27Å; Y737-Y760 HydrophobicContact CE1-CD2 4.34Å; Y737-Y760 AromaticContact CE1-CE1 3.31Å; Y737-Y760 HydrophobicContact CE1-CE1 3.31Å; Y737-Y760 HydrophobicContact CE1-CE2 4.37Å; Y737-Y760 AromaticContact CE1-CG 3.81Å; Y737-Y760 HydrophobicContact CE1-CG 3.81Å; Y737-Y760 AromaticContact CE1-CZ 3.88Å; Y737-Y760 HydrophobicContact CE2-CD1 4.06Å; Y737-Y760 HydrophobicContact CG-CD1 4.07Å; Y737-Y760 HydrophobicContact CG-CD2 4.35Å; Y737-Y760 AromaticContact CG-CG 3.82Å; Y737-Y760 HydrophobicContact CG-CG 3.82Å; Y737-Y760 AromaticContact CZ-CD1 3.55Å; Y737-Y760 AromaticContact CZ-CE1 3.86Å; V756-Y760 HydrophobicContact CB-CD2 4.44Å; V756-Y760 HydrophobicContact CG1-CD2 4.06Å; V756-Y760 WeakPolarHBondContact O-CB 3.25Å; V756-Y760 PolarHBondContact O-N 3.35Å; Y760-N762 VanDerWaalsContact C-N 3.25Å; Y760-N762 PolarHBondContact O-N 2.89Å; Y760-Q763 PolarHBondContact O-N 2.98Å; Y760-M764 PolarHBondContact O-N 3.04Å
761G77.7Confident83.9Confident0 Ų052.9 Ų52.90%026%0.257CS..THydrogen-bonded Turntrans-64.4-25.3-177.300000114.6C757 Q763 M764 P765C757-G761 WeakPolarHBondContact O-CA 3.48Å; C757-G761 PolarHBondContact O-N 3.43Å; G761-Q763 VanDerWaalsContact C-N 3.34Å; G761-M764 CarbonylContact O-C 3.52Å; G761-P765 VanDerWaalsContact O-CA 3.28Å; G761-P765 WeakPolarHBondContact O-CA 3.42Å
762N80.3Confident83.9Confident127 Ų12743.3 Ų43.368%0.67922%0.221SC*.THydrogen-bonded Turntrans-71.1-29.4173.1-69.9-27.6000112.6Y760Y760-N762 VanDerWaalsContact C-N 3.25Å; Y760-N762 PolarHBondContact O-N 2.89Å
763Q80.6Confident83.8Confident119 Ų11943.1 Ų43.156%0.55622%0.222SC*.THydrogen-bonded Turntrans-84.2-40.1178.2-61.4-176.848.500111.3Y737 Y760 G761Y737-Q763 HydrophobicContact CE2-CB 4.43Å; Y737-Q763 PolarHBondContact OH-OE1 3.3Å; Y760-Q763 PolarHBondContact O-N 2.98Å; G761-Q763 VanDerWaalsContact C-N 3.34Å
764M82.6Confident83.7Confident58 Ų5844.6 Ų44.629%0.28623%0.23SC..  trans-13088.1178.6-171.7173-178.400110.3D738 Y760 G761 N766 L767D738-M764 HydrophobicContact CB-CE 3.94Å; D738-M764 HydrophobicContact CB-SD 4.13Å; Y760-M764 PolarHBondContact O-N 3.04Å; G761-M764 CarbonylContact O-C 3.52Å; M764-N766 HydrophobicContact CE-CB 4.29Å; M764-N766 HydrophobicContact CG-CB 4.4Å; M764-N766 PolarHBondContact O-N 2.8Å; M764-N766 VanDerWaalsContact O-N 3.12Å; M764-L767 HydrophobicContact CB-CD1 4.15Å; M764-L767 HydrophobicContact CB-CG 4.1Å; M764-L767 HydrophobicContact CG-CG 4.16Å; M764-L767 WeakPolarHBondContact O-CB 3.19Å; M764-L767 VanDerWaalsContact O-CG 3.25Å; M764-L767 WeakPolarHBondContact O-CG 3.29Å; M764-L767 PolarHBondContact O-N 3.23Å; M764-L767 VanDerWaalsContact O-N 3.11Å; M764-L767 HydrophobicContact SD-CD2 4.34Å; M764-L767 HydrophobicContact SD-CG 4.44Å
765P82.7Confident83.7Confident45 Ų4543.9 Ų43.929%0.29223%0.226SC..THydrogen-bonded Turntrans-60.4-25.1-178-26.235.2000114.4G761 L767 W768 L795 L797G761-P765 VanDerWaalsContact O-CA 3.28Å; G761-P765 WeakPolarHBondContact O-CA 3.42Å; P765-L767 PolarHBondContact O-N 3.11Å; P765-L767 VanDerWaalsContact O-N 3.08Å; P765-W768 WeakPolarHBondContact O-CB 3.26Å; P765-W768 PolarHBondContact O-N 3.32Å; P765-L795 HydrophobicContact CB-CD1 4.35Å; P765-L797 HydrophobicContact CB-CD1 3.84Å; P765-L797 HydrophobicContact CB-CD2 3.41Å; P765-L797 VanDerWaalsContact CB-CD2 3.41Å; P765-L797 HydrophobicContact CB-CG 4.25Å; P765-L797 HydrophobicContact CG-CD2 4.43Å; P765-L797 VanDerWaalsContact O-CD1 3.23Å; P765-L797 WeakPolarHBondContact O-CD1 3.36Å
766N83.5Confident83.2Confident88 Ų8841.1 Ų41.147%0.47121%0.211SC..Hα-helixtrans-59.8-19.2176.4-70.6-18.8000113.9M764 W768 L769 T770M764-N766 HydrophobicContact CE-CB 4.29Å; M764-N766 HydrophobicContact CG-CB 4.4Å; M764-N766 PolarHBondContact O-N 2.8Å; M764-N766 VanDerWaalsContact O-N 3.12Å; N766-W768 PolarHBondContact O-N 2.89Å; N766-L769 WeakPolarHBondContact O-CB 3.44Å; N766-L769 PolarHBondContact O-N 3.46Å; N766-T770 PolarHBondContact O-N 2.91Å; N766-T770 PolarHBondContact O-OG1 3.01Å
767L87.2Confident82.7Confident0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-58-35.1172.7-64.4175000111.6D738 L741 M764 P765 L769 T770 A771D738-L767 HydrophobicContact CB-CD2 4.05Å; L741-L767 HydrophobicContact CB-CD2 4.3Å; L741-L767 HydrophobicContact CD2-CB 4.19Å; L741-L767 HydrophobicContact CD2-CD2 4.01Å; L741-L767 WeakPolarHBondContact CD2-O 3.49Å; M764-L767 HydrophobicContact CB-CD1 4.15Å; M764-L767 HydrophobicContact CB-CG 4.1Å; M764-L767 HydrophobicContact CG-CG 4.16Å; M764-L767 WeakPolarHBondContact O-CB 3.19Å; M764-L767 VanDerWaalsContact O-CG 3.25Å; M764-L767 WeakPolarHBondContact O-CG 3.29Å; M764-L767 PolarHBondContact O-N 3.23Å; M764-L767 VanDerWaalsContact O-N 3.11Å; M764-L767 HydrophobicContact SD-CD2 4.34Å; M764-L767 HydrophobicContact SD-CG 4.44Å; P765-L767 PolarHBondContact O-N 3.11Å; P765-L767 VanDerWaalsContact O-N 3.08Å; L767-L769 VanDerWaalsContact C-N 3.32Å; L767-L769 PolarHBondContact O-N 3Å; L767-T770 PolarHBondContact O-N 3.08Å; L767-A771 WeakPolarHBondContact O-CB 3.35Å; L767-A771 PolarHBondContact O-N 3.12Å
768W86.9Confident82.4Confident9 Ų946.6 Ų46.63%0.03424%0.235CC..Hα-helixtrans-67.6-32.2175.5-65.5104.6000112.3M754 C757 E758 P765 N766 L772 V788 Q791 V792 L797M754-W768 HydrophobicContact CE-CH2 4.17Å; M754-W768 HydrophobicContact CE-CZ3 4.09Å; C757-W768 VanDerWaalsContact C-CZ2 3.49Å; C757-W768 HydrophobicContact CB-CD2 4.2Å; C757-W768 HydrophobicContact CB-CE3 4.09Å; C757-W768 HydrophobicContact CB-CH2 3.7Å; C757-W768 HydrophobicContact CB-CZ2 3.79Å; C757-W768 HydrophobicContact CB-CZ3 3.86Å; C757-W768 WeakPolarHBondContact O-CZ2 3.44Å; E758-W768 HydrophobicContact CG-CH2 4.17Å; P765-W768 WeakPolarHBondContact O-CB 3.26Å; P765-W768 PolarHBondContact O-N 3.32Å; N766-W768 PolarHBondContact O-N 2.89Å; W768-L772 VanDerWaalsContact O-CB 3.31Å; W768-L772 WeakPolarHBondContact O-CB 3.49Å; W768-L772 PolarHBondContact O-N 3.25Å; W768-V788 HydrophobicContact CE3-CB 4.47Å; W768-V788 HydrophobicContact CE3-CG1 4.34Å; W768-V788 HydrophobicContact CE3-CG2 4.21Å; W768-V788 HydrophobicContact CZ3-CG2 4.22Å; W768-V788 WeakPolarHBondContact O-CG1 3.45Å; W768-Q791 HydrophobicContact CD2-CB 3.97Å; W768-Q791 HydrophobicContact CD2-CG 3.58Å; W768-Q791 HydrophobicContact CE3-CB 3.83Å; W768-Q791 HydrophobicContact CE3-CG 3.91Å; W768-Q791 HydrophobicContact CG-CG 4.15Å; W768-Q791 HydrophobicContact CH2-CB 4.26Å; W768-Q791 HydrophobicContact CH2-CG 3.91Å; W768-Q791 HydrophobicContact CZ2-CB 4.39Å; W768-Q791 HydrophobicContact CZ2-CG 3.58Å; W768-Q791 HydrophobicContact CZ3-CB 3.97Å; W768-Q791 HydrophobicContact CZ3-CG 4.06Å; W768-V792 HydrophobicContact CB-CG2 3.88Å; W768-L797 HydrophobicContact CB-CD1 4.05Å
769L84.5Confident81.6Confident35 Ų3545 Ų4518%0.18323%0.233CC..Hα-helixtrans-71.2-41.8173.8-63176.6000111.3N766 L767 A771 L772 I773 V792 L797 A798N766-L769 WeakPolarHBondContact O-CB 3.44Å; N766-L769 PolarHBondContact O-N 3.46Å; L767-L769 VanDerWaalsContact C-N 3.32Å; L767-L769 PolarHBondContact O-N 3Å; L769-A771 VanDerWaalsContact C-N 3.33Å; L769-L772 WeakPolarHBondContact O-CB 3.45Å; L769-L772 PolarHBondContact O-N 3.48Å; L769-I773 VanDerWaalsContact O-CG1 3.28Å; L769-I773 WeakPolarHBondContact O-CG1 3.38Å; L769-I773 PolarHBondContact O-N 3.45Å; L769-V792 HydrophobicContact CD2-CG1 4.34Å; L769-V792 HydrophobicContact CD2-CG2 4.38Å; L769-L797 HydrophobicContact CD2-CB 4.23Å; L769-L797 HydrophobicContact CG-CB 4.46Å; L769-A798 HydrophobicContact CD2-CB 4.08Å
770T83.7Confident81.2Confident31 Ų3148 Ų4819%0.1924%0.244CC..Hα-helixtrans-64.1-40.1174.9-52.50000111.6L741 I745 N766 L767 I773 N774L741-T770 HydrophobicContact CD2-CG2 4.03Å; I745-T770 HydrophobicContact CD1-CG2 4.26Å; N766-T770 PolarHBondContact O-N 2.91Å; N766-T770 PolarHBondContact O-OG1 3.01Å; L767-T770 PolarHBondContact O-N 3.08Å; T770-I773 PolarHBondContact O-N 3.34Å; T770-N774 PolarHBondContact O-N 2.87Å
771A84.3Confident80.8Confident0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-63-43.4172.200000111.7L767 L769 I773 N774 Y775 V788L767-A771 WeakPolarHBondContact O-CB 3.35Å; L767-A771 PolarHBondContact O-N 3.12Å; L769-A771 VanDerWaalsContact C-N 3.33Å; A771-I773 PolarHBondContact O-N 3.31Å; A771-N774 PolarHBondContact O-N 3.28Å; A771-Y775 HydrophobicContact CB-CD2 4.41Å; A771-Y775 WeakPolarHBondContact O-CD2 3.33Å; A771-Y775 PolarHBondContact O-N 2.96Å; A771-V788 HydrophobicContact CB-CG1 4.31Å; A771-V788 HydrophobicContact CB-CG2 4.25Å
772L83.4Confident80.6Confident0 Ų050.2 Ų50.20%026%0.261CS..Hα-helixtrans-57.9-47.6176178.263.7000111.1W768 L769 N774 Y775 A776 L785 V788 I789 V803 L806 L807W768-L772 VanDerWaalsContact O-CB 3.31Å; W768-L772 WeakPolarHBondContact O-CB 3.49Å; W768-L772 PolarHBondContact O-N 3.25Å; L769-L772 WeakPolarHBondContact O-CB 3.45Å; L769-L772 PolarHBondContact O-N 3.48Å; L772-N774 VanDerWaalsContact C-N 3.29Å; L772-N774 PolarHBondContact O-N 2.93Å; L772-Y775 PolarHBondContact O-N 3.37Å; L772-A776 VanDerWaalsContact O-CB 3.27Å; L772-A776 WeakPolarHBondContact O-CB 3.34Å; L772-A776 PolarHBondContact O-N 3.21Å; L772-L785 HydrophobicContact CD1-CD1 3.64Å; L772-V788 HydrophobicContact CB-CG1 3.8Å; L772-V788 HydrophobicContact CD1-CG1 4.38Å; L772-I789 HydrophobicContact CD1-CD1 4.41Å; L772-I789 HydrophobicContact CD1-CG1 3.78Å; L772-V803 HydrophobicContact CD2-CG1 4.29Å; L772-V803 HydrophobicContact CD2-CG2 4.46Å; L772-L806 HydrophobicContact CD2-CD1 4.07Å; L772-L807 HydrophobicContact CD1-CD2 4.23Å
773I82.1Confident80.6Confident67 Ų6750.6 Ų50.634%0.34426%0.263SS..Hα-helixtrans-60.7-39.1177.8-67.2164.5000111.2L769 T770 A771 H777 L806L769-I773 VanDerWaalsContact O-CG1 3.28Å; L769-I773 WeakPolarHBondContact O-CG1 3.38Å; L769-I773 PolarHBondContact O-N 3.45Å; T770-I773 PolarHBondContact O-N 3.34Å; A771-I773 PolarHBondContact O-N 3.31Å; I773-H777 PolarHBondContact O-ND1 3.17Å; I773-L806 HydrophobicContact CD1-CD2 4.34Å; I773-L806 HydrophobicContact CG1-CD1 4.33Å; I773-L806 HydrophobicContact CG1-CD2 4.08Å
774N82.3Confident80.8Confident31 Ų3146.7 Ų46.717%0.16625%0.245CC..Hα-helixtrans-69.7-47178.9-172-109.9000112.8I745 T770 A771 L772 A776I745-N774 HydrophobicContact CD1-CB 3.93Å; I745-N774 HydrophobicContact CG1-CB 4.26Å; I745-N774 WeakPolarHBondContact CG2-ND2 3.31Å; T770-N774 PolarHBondContact O-N 2.87Å; A771-N774 PolarHBondContact O-N 3.28Å; L772-N774 VanDerWaalsContact C-N 3.29Å; L772-N774 PolarHBondContact O-N 2.93Å; N774-A776 VanDerWaalsContact C-N 3.32Å
775Y82.7Confident80.9Confident0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-78-15.9-178-70.4-64.8000113.4N750 I753 A771 L772 H777 K778 H781 I784 V788N750-Y775 PolarHBondContact OD1-OH 2.95Å; I753-Y775 HydrophobicContact CG2-CE2 3.9Å; A771-Y775 HydrophobicContact CB-CD2 4.41Å; A771-Y775 WeakPolarHBondContact O-CD2 3.33Å; A771-Y775 PolarHBondContact O-N 2.96Å; L772-Y775 PolarHBondContact O-N 3.37Å; Y775-H777 PolarHBondContact O-N 2.76Å; Y775-K778 PolarHBondContact O-N 3.1Å; Y775-K778 VanDerWaalsContact O-N 3.16Å; Y775-H781 HydrophobicContact CD1-CB 3.8Å; Y775-H781 HydrophobicContact CE1-CB 4.02Å; Y775-H781 AromaticContact CE1-CD2 3.89Å; Y775-I784 HydrophobicContact CD1-CG2 4.38Å; Y775-I784 HydrophobicContact CD2-CG2 3.99Å; Y775-I784 HydrophobicContact CE1-CB 4.42Å; Y775-I784 HydrophobicContact CE1-CD1 4.27Å; Y775-I784 HydrophobicContact CE1-CG2 4.01Å; Y775-I784 HydrophobicContact CE2-CG2 3.58Å; Y775-I784 HydrophobicContact CG-CG2 4.38Å; Y775-V788 HydrophobicContact CD2-CG2 4.29Å
776A77.6Confident80.9Confident0 Ų045.6 Ų45.60%024%0.235CC..Hα-helixtrans-56.6-36.5172.300000112.6L772 N774 L807L772-A776 VanDerWaalsContact O-CB 3.27Å; L772-A776 WeakPolarHBondContact O-CB 3.34Å; L772-A776 PolarHBondContact O-N 3.21Å; N774-A776 VanDerWaalsContact C-N 3.32Å; A776-L807 HydrophobicContact CB-CD2 3.86Å
777H76Confident81Confident71 Ų7148.3 Ų48.333%0.32924%0.238SC..THydrogen-bonded Turntrans-91.54.4-178.7-56.990.1000113.5I773 Y775I773-H777 PolarHBondContact O-ND1 3.17Å; Y775-H777 PolarHBondContact O-N 2.76Å
778K77Confident80.9Confident51 Ų5148.3 Ų48.322%0.22224%0.238CC..  trans-12491.5-175.1-70.2-173179.5174.70111.1D748 Y775 E780 H781D748-K778 IonicContact OD1-NZ 3.57Å; D748-K778 PolarHBondContact OD1-NZ 3.12Å; Y775-K778 PolarHBondContact O-N 3.1Å; Y775-K778 VanDerWaalsContact O-N 3.16Å; K778-E780 PolarHBondContact O-N 2.88Å; K778-H781 PolarHBondContact O-N 3.42Å
779P70.3Confident80.8Confident60 Ų6048 Ų4839%0.3924%0.237SC..G310 helixtrans-66.6-23.4-176.826.4-33.9000113.3H781P779-H781 PolarHBondContact O-N 3.41Å
780E75.8Confident80.8Confident173 Ų17348.7 Ų48.781%0.80824%0.241SC*.G310 helixtrans-63-20.6179.5-55.5-170.9-168.200113.5K778K778-E780 PolarHBondContact O-N 2.88Å
781H74.7Confident80.7Confident42 Ų4249.9 Ų49.919%0.19425%0.245CC..G310 helixtrans-113.440.6-174.6-63.3-41.2000112.8N750 Y775 K778 P779 D783 I784 L785N750-H781 PolarHBondContact ND2-NE2 3.26Å; N750-H781 VanDerWaalsContact ND2-NE2 3.14Å; Y775-H781 HydrophobicContact CD1-CB 3.8Å; Y775-H781 HydrophobicContact CE1-CB 4.02Å; Y775-H781 AromaticContact CE1-CD2 3.89Å; K778-H781 PolarHBondContact O-N 3.42Å; P779-H781 PolarHBondContact O-N 3.41Å; H781-D783 VanDerWaalsContact C-N 3.26Å; H781-D783 PolarHBondContact O-N 2.98Å; H781-I784 HydrophobicContact CB-CB 4.25Å; H781-I784 HydrophobicContact CB-CD1 4.13Å; H781-I784 HydrophobicContact CB-CG1 4.38Å; H781-I784 PolarHBondContact O-N 3.31Å; H781-I784 VanDerWaalsContact O-N 3.11Å; H781-L785 PolarHBondContact O-N 3.32Å
782S74.9Confident80.7Confident48 Ų4850 Ų5034%0.33625%0.245SC..Hα-helixtrans-55.5-36.5179.258.10000113.8L785 K786 T820S782-L785 PolarHBondContact O-N 2.88Å; S782-K786 PolarHBondContact O-N 3.44Å; S782-T820 WeakPolarHBondContact O-CG2 3.38Å
783D80.6Confident80.7Confident134 Ų13452.2 Ų52.272%0.71726%0.257SS*.Hα-helixtrans-67.1-39.8177.1-67.4-35.8000112.6H781 R787H781-D783 VanDerWaalsContact C-N 3.26Å; H781-D783 PolarHBondContact O-N 2.98Å; D783-R787 PolarHBondContact O-N 2.87Å
784I84.6Confident80.7Confident37 Ų3753.7 Ų53.719%0.1927%0.272CS..Hα-helixtrans-69.5-43.3176.9-57.3178000109.3N750 M754 Y775 H781 K786 R787 V788N750-I784 HydrophobicContact CB-CD1 4.43Å; M754-I784 HydrophobicContact CG-CG2 3.96Å; M754-I784 HydrophobicContact SD-CG2 3.54Å; M754-I784 VanDerWaalsContact SD-CG2 3.54Å; Y775-I784 HydrophobicContact CD1-CG2 4.38Å; Y775-I784 HydrophobicContact CD2-CG2 3.99Å; Y775-I784 HydrophobicContact CE1-CB 4.42Å; Y775-I784 HydrophobicContact CE1-CD1 4.27Å; Y775-I784 HydrophobicContact CE1-CG2 4.01Å; Y775-I784 HydrophobicContact CE2-CG2 3.58Å; Y775-I784 HydrophobicContact CG-CG2 4.38Å; H781-I784 HydrophobicContact CB-CB 4.25Å; H781-I784 HydrophobicContact CB-CD1 4.13Å; H781-I784 HydrophobicContact CB-CG1 4.38Å; H781-I784 PolarHBondContact O-N 3.31Å; H781-I784 VanDerWaalsContact O-N 3.11Å; I784-K786 VanDerWaalsContact C-N 3.33Å; I784-K786 PolarHBondContact O-N 3.16Å; I784-R787 WeakPolarHBondContact O-CB 3.3Å; I784-R787 PolarHBondContact O-N 3.49Å; I784-R787 VanDerWaalsContact O-N 3.17Å; I784-V788 HydrophobicContact CG2-CG2 4.43Å; I784-V788 WeakPolarHBondContact O-CG2 3.29Å; I784-V788 PolarHBondContact O-N 3.2Å
785L83.8Confident80.7Confident2 Ų255.1 Ų55.11%0.0128%0.279CS..Hα-helixtrans-58-44175.5179.361.1000111.8L772 H781 S782 R787 V788 I789 L807 C816 T820L772-L785 HydrophobicContact CD1-CD1 3.64Å; H781-L785 PolarHBondContact O-N 3.32Å; S782-L785 PolarHBondContact O-N 2.88Å; L785-R787 VanDerWaalsContact C-N 3.32Å; L785-R787 PolarHBondContact O-N 2.88Å; L785-V788 PolarHBondContact O-N 3.26Å; L785-I789 HydrophobicContact CD1-CD1 4.07Å; L785-I789 HydrophobicContact CD1-CG1 4.26Å; L785-I789 HydrophobicContact CG-CD1 3.99Å; L785-I789 WeakPolarHBondContact O-CG1 3.44Å; L785-I789 PolarHBondContact O-N 3.28Å; L785-L807 HydrophobicContact CD1-CD2 4.25Å; L785-L807 HydrophobicContact CD2-CD2 4.35Å; L785-C816 HydrophobicContact CD2-CB 3.63Å; L785-T820 HydrophobicContact CD2-CG2 4.33Å; L785-T820 HydrophobicContact CG-CG2 4.46Å
786K83.5Confident80.6Confident79 Ų7961.5 Ų61.534%0.34331%0.314SS..Hα-helixtrans-57.2-46.7176-174.1172.5-173.6163.30111.3S782 I784 V788 I789 D790 T820 D823S782-K786 PolarHBondContact O-N 3.44Å; I784-K786 VanDerWaalsContact C-N 3.33Å; I784-K786 PolarHBondContact O-N 3.16Å; K786-V788 PolarHBondContact O-N 3.17Å; K786-I789 PolarHBondContact O-N 3.17Å; K786-D790 PolarHBondContact O-N 3.35Å; K786-T820 HydrophobicContact CB-CG2 4.17Å; K786-D823 IonicContact NZ-OD2 3.67Å; K786-D823 PolarHBondContact NZ-OD2 3.39Å
787R84.5Confident80.7Confident144 Ų14464 Ų6454%0.54333%0.326SS..Hα-helixtrans-62.7-41.6177.8-170.1-179.5-63-1753.2112.3M754 E758 D783 I784 L785 D790 Q791M754-R787 HydrophobicContact CE-CG 4.49Å; E758-R787 IonicContact OE1-NH1 3Å; D783-R787 PolarHBondContact O-N 2.87Å; I784-R787 WeakPolarHBondContact O-CB 3.3Å; I784-R787 PolarHBondContact O-N 3.49Å; I784-R787 VanDerWaalsContact O-N 3.17Å; L785-R787 VanDerWaalsContact C-N 3.32Å; L785-R787 PolarHBondContact O-N 2.88Å; R787-D790 PolarHBondContact O-N 3.12Å; R787-Q791 PolarHBondContact O-N 3.41Å
788V85.7Confident80.9Confident0 Ų061.2 Ų61.20%032%0.316CS..Hα-helixtrans-62.9-44.3176.5171.80000110.9M754 W768 A771 L772 Y775 I784 L785 K786 Q791 V792M754-V788 HydrophobicContact SD-CG2 4.36Å; W768-V788 HydrophobicContact CE3-CB 4.47Å; W768-V788 HydrophobicContact CE3-CG1 4.34Å; W768-V788 HydrophobicContact CE3-CG2 4.21Å; W768-V788 HydrophobicContact CZ3-CG2 4.22Å; W768-V788 WeakPolarHBondContact O-CG1 3.45Å; A771-V788 HydrophobicContact CB-CG1 4.31Å; A771-V788 HydrophobicContact CB-CG2 4.25Å; L772-V788 HydrophobicContact CB-CG1 3.8Å; L772-V788 HydrophobicContact CD1-CG1 4.38Å; Y775-V788 HydrophobicContact CD2-CG2 4.29Å; I784-V788 HydrophobicContact CG2-CG2 4.43Å; I784-V788 WeakPolarHBondContact O-CG2 3.29Å; I784-V788 PolarHBondContact O-N 3.2Å; L785-V788 PolarHBondContact O-N 3.26Å; K786-V788 PolarHBondContact O-N 3.17Å; V788-Q791 PolarHBondContact O-N 3.48Å; V788-V792 HydrophobicContact CG1-CG2 4.36Å; V788-V792 VanDerWaalsContact O-CG2 3.29Å; V788-V792 WeakPolarHBondContact O-CG2 3.48Å; V788-V792 PolarHBondContact O-N 3.42Å
789I84.5Confident81.2Confident4 Ų462.7 Ų62.72%0.02133%0.33CS..Hα-helixtrans-63.3-44177.8-68.6171.3000111.2L772 L785 K786 Q791 V792 D793 L807 I821 Y824L772-I789 HydrophobicContact CD1-CD1 4.41Å; L772-I789 HydrophobicContact CD1-CG1 3.78Å; L785-I789 HydrophobicContact CD1-CD1 4.07Å; L785-I789 HydrophobicContact CD1-CG1 4.26Å; L785-I789 HydrophobicContact CG-CD1 3.99Å; L785-I789 WeakPolarHBondContact O-CG1 3.44Å; L785-I789 PolarHBondContact O-N 3.28Å; K786-I789 PolarHBondContact O-N 3.17Å; I789-Q791 VanDerWaalsContact C-N 3.26Å; I789-Q791 PolarHBondContact O-N 3.41Å; I789-V792 PolarHBondContact O-N 3.49Å; I789-D793 WeakPolarHBondContact O-CB 3.37Å; I789-D793 PolarHBondContact O-N 2.96Å; I789-L807 HydrophobicContact CD1-CD1 4.47Å; I789-I821 HydrophobicContact CD1-CG2 3.68Å; I789-Y824 HydrophobicContact CG2-CD1 4.02Å; I789-Y824 HydrophobicContact CG2-CD2 3.9Å; I789-Y824 HydrophobicContact CG2-CE2 4.43Å; I789-Y824 HydrophobicContact CG2-CG 3.66Å
790D84.4Confident81.6Confident48 Ų4860.8 Ų60.826%0.25732%0.317SS..Hα-helixtrans-60.1-38.5176.4-74.9-31.1000111.5K786 R787 D793 C794 R827K786-D790 PolarHBondContact O-N 3.35Å; R787-D790 PolarHBondContact O-N 3.12Å; D790-D793 PolarHBondContact O-N 3.48Å; D790-C794 WeakPolarHBondContact O-CB 3.49Å; D790-C794 PolarHBondContact O-N 2.85Å; D790-C794 PolarHBondContact O-SG 3.49Å; D790-R827 IonicContact OD1-CZ 3.35Å; D790-R827 IonicContact OD1-NH1 2.88Å; D790-R827 IonicContact OD1-NH2 2.79Å; D790-R827 PolarHBondContact OD1-NH2 3.28Å
791Q82.8Confident81.9Confident57 Ų5757.8 Ų57.827%0.26631%0.306SS..Hα-helixtrans-73.9-36.2177.5-165.461.721.600112.8W768 R787 V788 I789 D793 C794 L795W768-Q791 HydrophobicContact CD2-CB 3.97Å; W768-Q791 HydrophobicContact CD2-CG 3.58Å; W768-Q791 HydrophobicContact CE3-CB 3.83Å; W768-Q791 HydrophobicContact CE3-CG 3.91Å; W768-Q791 HydrophobicContact CG-CG 4.15Å; W768-Q791 HydrophobicContact CH2-CB 4.26Å; W768-Q791 HydrophobicContact CH2-CG 3.91Å; W768-Q791 HydrophobicContact CZ2-CB 4.39Å; W768-Q791 HydrophobicContact CZ2-CG 3.58Å; W768-Q791 HydrophobicContact CZ3-CB 3.97Å; W768-Q791 HydrophobicContact CZ3-CG 4.06Å; R787-Q791 PolarHBondContact O-N 3.41Å; V788-Q791 PolarHBondContact O-N 3.48Å; I789-Q791 VanDerWaalsContact C-N 3.26Å; I789-Q791 PolarHBondContact O-N 3.41Å; Q791-D793 VanDerWaalsContact C-N 3.29Å; Q791-D793 PolarHBondContact O-N 3.39Å; Q791-C794 PolarHBondContact O-N 3.14Å; Q791-L795 HydrophobicContact CG-CD1 4.13Å; Q791-L795 WeakPolarHBondContact O-CB 3.37Å; Q791-L795 WeakPolarHBondContact O-CG 3.35Å; Q791-L795 PolarHBondContact O-N 3.14Å
792V83.9Confident82.2Confident1 Ų157.1 Ų57.11%0.00631%0.305CS..Hα-helixtrans-61.7-38.9172.3166.70000111W768 L769 V788 I789 N796 L797 A798 V803W768-V792 HydrophobicContact CB-CG2 3.88Å; L769-V792 HydrophobicContact CD2-CG1 4.34Å; L769-V792 HydrophobicContact CD2-CG2 4.38Å; V788-V792 HydrophobicContact CG1-CG2 4.36Å; V788-V792 VanDerWaalsContact O-CG2 3.29Å; V788-V792 WeakPolarHBondContact O-CG2 3.48Å; V788-V792 PolarHBondContact O-N 3.42Å; I789-V792 PolarHBondContact O-N 3.49Å; V792-N796 PolarHBondContact O-N 3.1Å; V792-L797 HydrophobicContact CG1-CB 4.3Å; V792-L797 PolarHBondContact O-N 3.08Å; V792-A798 HydrophobicContact CG1-CB 4.2Å; V792-V803 HydrophobicContact CG1-CG2 4.23Å
793D82Confident82.4Confident48 Ų4854.9 Ų54.926%0.25729%0.289SS..Hα-helixtrans-69.5-48175.4-172.342.7000111.7I789 D790 Q791 L795 N796 Y824 R827I789-D793 WeakPolarHBondContact O-CB 3.37Å; I789-D793 PolarHBondContact O-N 2.96Å; D790-D793 PolarHBondContact O-N 3.48Å; Q791-D793 VanDerWaalsContact C-N 3.29Å; Q791-D793 PolarHBondContact O-N 3.39Å; D793-L795 VanDerWaalsContact C-N 3.25Å; D793-L795 PolarHBondContact O-N 3.1Å; D793-N796 PolarHBondContact O-N 2.98Å; D793-Y824 HydrophobicContact CB-CD2 4.12Å; D793-Y824 HydrophobicContact CB-CE2 3.78Å; D793-R827 IonicContact OD2-NH1 3.64Å
794C83.7Confident82.3Confident98 Ų9851 Ų5166%0.66227%0.268SS*.Hα-helixtrans-58.9-36.8177.8-70.50000112.8D790 Q791D790-C794 WeakPolarHBondContact O-CB 3.49Å; D790-C794 PolarHBondContact O-N 2.85Å; D790-C794 PolarHBondContact O-SG 3.49Å; Q791-C794 PolarHBondContact O-N 3.14Å
795L82.2Confident82Confident60 Ų6052.6 Ų52.631%0.31428%0.275SS..THydrogen-bonded Turntrans-88.8-2.1177.8-64.3177.4000113.2P765 Q791 D793 L797P765-L795 HydrophobicContact CB-CD1 4.35Å; Q791-L795 HydrophobicContact CG-CD1 4.13Å; Q791-L795 WeakPolarHBondContact O-CB 3.37Å; Q791-L795 WeakPolarHBondContact O-CG 3.35Å; Q791-L795 PolarHBondContact O-N 3.14Å; D793-L795 VanDerWaalsContact C-N 3.25Å; D793-L795 PolarHBondContact O-N 3.1Å; L795-L797 VanDerWaalsContact C-N 3.29Å; L795-L797 HydrophobicContact CB-CD1 4.03Å; L795-L797 HydrophobicContact CB-CD2 3.96Å; L795-L797 HydrophobicContact CB-CG 3.66Å; L795-L797 HydrophobicContact CD1-CD1 4.2Å; L795-L797 PolarHBondContact O-N 3.24Å
796N79.2Confident81.7Confident135 Ų13553.8 Ų53.872%0.72228%0.281SS*.THydrogen-bonded Turntrans49.344.7-179.1-169.140.3000113.3V792 D793V792-N796 PolarHBondContact O-N 3.1Å; D793-N796 PolarHBondContact O-N 2.98Å
797L81.7Confident81.3Confident51 Ų5150.5 Ų50.527%0.26727%0.267SS..  trans-81.2-31.6-171.5-59.6175.7000113.9P765 W768 L769 V792 L795P765-L797 HydrophobicContact CB-CD1 3.84Å; P765-L797 HydrophobicContact CB-CD2 3.41Å; P765-L797 VanDerWaalsContact CB-CD2 3.41Å; P765-L797 HydrophobicContact CB-CG 4.25Å; P765-L797 HydrophobicContact CG-CD2 4.43Å; P765-L797 VanDerWaalsContact O-CD1 3.23Å; P765-L797 WeakPolarHBondContact O-CD1 3.36Å; W768-L797 HydrophobicContact CB-CD1 4.05Å; L769-L797 HydrophobicContact CD2-CB 4.23Å; L769-L797 HydrophobicContact CG-CB 4.46Å; V792-L797 HydrophobicContact CG1-CB 4.3Å; V792-L797 PolarHBondContact O-N 3.08Å; L795-L797 VanDerWaalsContact C-N 3.29Å; L795-L797 HydrophobicContact CB-CD1 4.03Å; L795-L797 HydrophobicContact CB-CD2 3.96Å; L795-L797 HydrophobicContact CB-CG 3.66Å; L795-L797 HydrophobicContact CD1-CD1 4.2Å; L795-L797 PolarHBondContact O-N 3.24Å
798A80.3Confident80.8Confident14 Ų1448.4 Ų48.412%0.11627%0.273CS..SBendtrans-138.9143.6-177.200000110.3L769 V792 V802 V803L769-A798 HydrophobicContact CD2-CB 4.08Å; V792-A798 HydrophobicContact CG1-CB 4.2Å; A798-V802 HydrophobicContact CB-CB 4.3Å; A798-V802 HydrophobicContact CB-CG1 4.22Å; A798-V803 HydrophobicContact CB-CG2 3.77Å
799T82.8Confident80.1Confident82 Ų8251.6 Ų51.650%0.50329%0.291SS..  trans-68.6152170.363.10000109.4L801 V802 V803T799-L801 PolarHBondContact O-N 3.04Å; T799-V802 PolarHBondContact O-N 3.32Å; T799-V802 WeakPolarHBondContact OG1-CG2 3.41Å; T799-V803 PolarHBondContact O-N 3.12Å
800P78.3Confident79.2Confident19 Ų1952 Ų5212%0.12329%0.294CS..Hα-helixtrans-55.7-30179.3-22.127.3000113.6V803 L804 Y824 H828P800-V803 PolarHBondContact O-N 3.04Å; P800-L804 WeakPolarHBondContact O-CB 3.33Å; P800-L804 VanDerWaalsContact O-CG 3.26Å; P800-L804 WeakPolarHBondContact O-CG 3.42Å; P800-L804 PolarHBondContact O-N 3.21Å; P800-Y824 WeakPolarHBondContact CA-OH 3.26Å; P800-Y824 HydrophobicContact CB-CE1 4.05Å; P800-H828 HydrophobicContact CG-CB 4.12Å; P800-H828 WeakPolarHBondContact CG-CD2 3.12Å; P800-H828 WeakPolarHBondContact CG-CE1 3.49Å; P800-H828 VanDerWaalsContact CG-ND1 3.33Å; P800-H828 WeakPolarHBondContact CG-ND1 3.5Å; P800-H828 WeakPolarHBondContact CG-NE2 3.13Å
801L81.2Confident78.3Confident111 Ų11155 Ų5558%0.58131%0.31SS*.Hα-helixtrans-65-44175.5-175.364.1000111.7T799 L804 Q805T799-L801 PolarHBondContact O-N 3.04Å; L801-L804 PolarHBondContact O-N 3.33Å; L801-Q805 WeakPolarHBondContact O-CB 3.07Å; L801-Q805 VanDerWaalsContact O-CG 3.29Å; L801-Q805 WeakPolarHBondContact O-CG 3.37Å; L801-Q805 PolarHBondContact O-N 3.33Å
802V80.9Confident77.4Confident28 Ų2857.7 Ų57.717%0.1733%0.332CS..Hα-helixtrans-66.7-40.9176.6175.20000110.3A798 T799 L804 Q805 L806 L946A798-V802 HydrophobicContact CB-CB 4.3Å; A798-V802 HydrophobicContact CB-CG1 4.22Å; T799-V802 PolarHBondContact O-N 3.32Å; T799-V802 WeakPolarHBondContact OG1-CG2 3.41Å; V802-L804 VanDerWaalsContact C-N 3.33Å; V802-L804 PolarHBondContact O-N 3.45Å; V802-Q805 PolarHBondContact O-N 3.05Å; V802-L806 HydrophobicContact CG1-CD1 4.17Å; V802-L806 HydrophobicContact CG1-CG 4.35Å; V802-L806 VanDerWaalsContact O-CG 3.31Å; V802-L806 WeakPolarHBondContact O-CG 3.23Å; V802-L806 PolarHBondContact O-N 3.01Å; V802-L946 HydrophobicContact CG1-CD1 4.19Å; V802-L946 HydrophobicContact CG2-CD1 4.03Å
803V79.9Confident76.3Confident1 Ų166 Ų661%0.00637%0.371CS..Hα-helixtrans-59.1-46.3174.4176.90000110.7L772 V792 A798 T799 P800 L806 L807 Y824L772-V803 HydrophobicContact CD2-CG1 4.29Å; L772-V803 HydrophobicContact CD2-CG2 4.46Å; V792-V803 HydrophobicContact CG1-CG2 4.23Å; A798-V803 HydrophobicContact CB-CG2 3.77Å; T799-V803 PolarHBondContact O-N 3.12Å; P800-V803 PolarHBondContact O-N 3.04Å; V803-L806 PolarHBondContact O-N 2.92Å; V803-L807 HydrophobicContact CG1-CD1 4.07Å; V803-L807 VanDerWaalsContact O-CG 3.25Å; V803-L807 WeakPolarHBondContact O-CG 3.28Å; V803-L807 PolarHBondContact O-N 2.86Å; V803-L807 VanDerWaalsContact O-N 3.09Å; V803-Y824 HydrophobicContact CB-CE1 4.25Å; V803-Y824 HydrophobicContact CG1-CE1 4.05Å
804L77.8Confident75.5Confident53 Ų5368.2 Ų68.228%0.27738%0.38SS..Hα-helixtrans-62.1-43.3175.7-75.7170.9000112P800 L801 V802 L806 L807 C808 I821 L825P800-L804 WeakPolarHBondContact O-CB 3.33Å; P800-L804 VanDerWaalsContact O-CG 3.26Å; P800-L804 WeakPolarHBondContact O-CG 3.42Å; P800-L804 PolarHBondContact O-N 3.21Å; L801-L804 PolarHBondContact O-N 3.33Å; V802-L804 VanDerWaalsContact C-N 3.33Å; V802-L804 PolarHBondContact O-N 3.45Å; L804-L806 PolarHBondContact O-N 2.99Å; L804-L807 PolarHBondContact O-N 3.45Å; L804-C808 VanDerWaalsContact O-CB 3.3Å; L804-C808 WeakPolarHBondContact O-CB 3.31Å; L804-C808 PolarHBondContact O-N 3.44Å; L804-C808 PolarHBondContact O-SG 3.08Å; L804-I821 HydrophobicContact CD2-CD1 3.78Å; L804-L825 HydrophobicContact CD1-CD2 3.94Å; L804-L825 HydrophobicContact CD2-CD1 4.26Å; L804-L825 HydrophobicContact CD2-CD2 4.19Å; L804-L825 HydrophobicContact CG-CD2 4.18Å
805Q79.5Confident74.8Confident69 Ų6966.3 Ų66.332%0.32237%0.367SS..Hα-helixtrans-60-46176.6-76.9173.9-15.800111.8L801 V802 L807 C808 D809L801-Q805 WeakPolarHBondContact O-CB 3.07Å; L801-Q805 VanDerWaalsContact O-CG 3.29Å; L801-Q805 WeakPolarHBondContact O-CG 3.37Å; L801-Q805 PolarHBondContact O-N 3.33Å; V802-Q805 PolarHBondContact O-N 3.05Å; Q805-L807 VanDerWaalsContact C-N 3.27Å; Q805-L807 PolarHBondContact O-N 3.07Å; Q805-C808 PolarHBondContact O-N 3.35Å; Q805-D809 WeakPolarHBondContact O-CB 3.43Å; Q805-D809 PolarHBondContact O-N 3.04Å
806L77.2Confident74.2Confident28 Ų2864.5 Ų64.515%0.14736%0.359CS..Hα-helixtrans-63.5-32178.2-68.6175.8000112.8L772 I773 V802 V803 L804 L950L772-L806 HydrophobicContact CD2-CD1 4.07Å; I773-L806 HydrophobicContact CD1-CD2 4.34Å; I773-L806 HydrophobicContact CG1-CD1 4.33Å; I773-L806 HydrophobicContact CG1-CD2 4.08Å; V802-L806 HydrophobicContact CG1-CD1 4.17Å; V802-L806 HydrophobicContact CG1-CG 4.35Å; V802-L806 VanDerWaalsContact O-CG 3.31Å; V802-L806 WeakPolarHBondContact O-CG 3.23Å; V802-L806 PolarHBondContact O-N 3.01Å; V803-L806 PolarHBondContact O-N 2.92Å; L804-L806 PolarHBondContact O-N 2.99Å; L806-L950 HydrophobicContact CD2-CD1 4.37Å
807L75.9Confident73.9Confident9 Ų963.6 Ų63.65%0.04735%0.354CS..Hα-helixtrans-76.6-38.5174.8-65.5169.7000111.8L772 A776 L785 I789 V803 L804 Q805 S810 I821L772-L807 HydrophobicContact CD1-CD2 4.23Å; A776-L807 HydrophobicContact CB-CD2 3.86Å; L785-L807 HydrophobicContact CD1-CD2 4.25Å; L785-L807 HydrophobicContact CD2-CD2 4.35Å; I789-L807 HydrophobicContact CD1-CD1 4.47Å; V803-L807 HydrophobicContact CG1-CD1 4.07Å; V803-L807 VanDerWaalsContact O-CG 3.25Å; V803-L807 WeakPolarHBondContact O-CG 3.28Å; V803-L807 PolarHBondContact O-N 2.86Å; V803-L807 VanDerWaalsContact O-N 3.09Å; L804-L807 PolarHBondContact O-N 3.45Å; Q805-L807 VanDerWaalsContact C-N 3.27Å; Q805-L807 PolarHBondContact O-N 3.07Å; L807-S810 WeakPolarHBondContact O-CB 3.44Å; L807-S810 PolarHBondContact O-OG 3.01Å; L807-I821 HydrophobicContact CD1-CD1 4.4Å; L807-I821 HydrophobicContact CD1-CG2 3.65Å
808C74.2Confident73.3Confident100 Ų10066 Ų6668%0.67637%0.371SS*.Hα-helixtrans-76-21.5-179.2-70.80000114.2L804 Q805 S810L804-C808 VanDerWaalsContact O-CB 3.3Å; L804-C808 WeakPolarHBondContact O-CB 3.31Å; L804-C808 PolarHBondContact O-N 3.44Å; L804-C808 PolarHBondContact O-SG 3.08Å; Q805-C808 PolarHBondContact O-N 3.35Å; C808-S810 PolarHBondContact O-N 3.49Å; C808-S810 VanDerWaalsContact O-N 3.11Å
809D69.7Low73Confident68 Ų6867.2 Ų67.236%0.36438%0.384SS..THydrogen-bonded Turntrans-69.7-1.7178.4-116-55.5000114Q805 L950 K954Q805-D809 WeakPolarHBondContact O-CB 3.43Å; Q805-D809 PolarHBondContact O-N 3.04Å; D809-L950 HydrophobicContact CB-CD2 4.35Å; D809-L950 VanDerWaalsContact CG-CD2 3.47Å; D809-L950 WeakPolarHBondContact OD2-CD2 3.46Å; D809-K954 PolarHBondContact O-NZ 3.16Å; D809-K954 IonicContact OD1-NZ 3.85Å; D809-K954 PolarHBondContact OD1-NZ 3.22Å
810S65.7Low72.6Confident12 Ų1264.3 Ų64.38%0.08437%0.366CS..SBendtrans-83.4151.3-179.2-44.70000112.1L807 C808L807-S810 WeakPolarHBondContact O-CB 3.44Å; L807-S810 PolarHBondContact O-OG 3.01Å; C808-S810 PolarHBondContact O-N 3.49Å; C808-S810 VanDerWaalsContact O-N 3.11Å
811D65Low72.6Confident111 Ų11164 Ų6459%0.59436%0.364SS*.  trans-61.2143.7177.5-69.8-44.5000112.4E813 H814 C815D811-E813 PolarHBondContact O-N 3.03Å; D811-H814 PolarHBondContact O-N 3.29Å; D811-C815 PolarHBondContact O-N 2.88Å; D811-C815 PolarHBondContact O-SG 3.36Å
812P64.3Low72.6Confident114 Ų11466.4 Ų66.474%0.7437%0.365SS*.THydrogen-bonded Turntrans-53.3-29.9-175-2632.2000115.2C815P812-C815 VanDerWaalsContact C-SG 3.52Å; P812-C815 WeakPolarHBondContact CA-SG 3.4Å; P812-C815 PolarHBondContact O-SG 2.87Å
813E62.2Low72.6Confident176 Ų17668.5 Ų68.582%0.82238%0.375SS*.THydrogen-bonded Turntrans-82.1-18.9-177.3-64.5-175.5171.800113.4D811D811-E813 PolarHBondContact O-N 3.03Å
814H65.1Low72.8Confident94 Ų9468.8 Ų68.844%0.43538%0.376SS..SBendtrans-116.116.1-174-67.381.9000113.2D811D811-H814 PolarHBondContact O-N 3.29Å
815C67.1Low73Confident58 Ų5868.3 Ų68.339%0.39237%0.374SS..PPolyproline II helixtrans-65.6143.4179.7-53.80000112.8D811 P812D811-C815 PolarHBondContact O-N 2.88Å; D811-C815 PolarHBondContact O-SG 3.36Å; P812-C815 VanDerWaalsContact C-SG 3.52Å; P812-C815 WeakPolarHBondContact CA-SG 3.4Å; P812-C815 PolarHBondContact O-SG 2.87Å
816C70.3Confident73.3Confident22 Ų2268.6 Ų68.615%0.14938%0.377CS..PPolyproline II helixtrans-67.8146.916663.60000112L785 V818L785-C816 HydrophobicContact CD2-CB 3.63Å; C816-V818 PolarHBondContact O-N 3.02Å
817N72.2Confident73.6Confident115 Ų11572.6 Ų72.662%0.61539%0.39SS*.PPolyproline II helixtrans-61.7131.6169.9171.48.3000111.2G819 T820N817-G819 PolarHBondContact O-N 3.24Å; N817-G819 VanDerWaalsContact O-N 3.12Å; N817-G819 PolarHBondContact OD1-N 2.94Å; N817-T820 WeakPolarHBondContact O-CB 3.38Å; N817-T820 PolarHBondContact O-N 2.94Å; N817-T820 PolarHBondContact O-OG1 2.87Å
818V70.6Confident73.9Confident102 Ų10276.3 Ų76.362%0.61841%0.407SS*.Hα-helixtrans-53.6-30.6173.4178.30000112.7C816 T820 I821 R822C816-V818 PolarHBondContact O-N 3.02Å; V818-T820 PolarHBondContact O-N 3.2Å; V818-I821 HydrophobicContact CG1-CG1 4.47Å; V818-I821 WeakPolarHBondContact O-CG1 3.46Å; V818-I821 PolarHBondContact O-N 3.15Å; V818-I821 VanDerWaalsContact O-N 3.13Å; V818-R822 PolarHBondContact O-N 2.78Å
819G73.1Confident74.4Confident39 Ų3977.3 Ų77.340%0.40241%0.405SS..Hα-helixtrans-56.5-31.6174.300000114N817 I821N817-G819 PolarHBondContact O-N 3.24Å; N817-G819 VanDerWaalsContact O-N 3.12Å; N817-G819 PolarHBondContact OD1-N 2.94Å; G819-I821 VanDerWaalsContact C-N 3.31Å; G819-I821 PolarHBondContact O-N 3.18Å
820T75.2Confident75.3Confident21 Ų2179.8 Ų79.813%0.12942%0.415CS..Hα-helixtrans-68-32.2178.6-48.50000111.9S782 L785 K786 N817 V818S782-T820 WeakPolarHBondContact O-CG2 3.38Å; L785-T820 HydrophobicContact CD2-CG2 4.33Å; L785-T820 HydrophobicContact CG-CG2 4.46Å; K786-T820 HydrophobicContact CB-CG2 4.17Å; N817-T820 WeakPolarHBondContact O-CB 3.38Å; N817-T820 PolarHBondContact O-N 2.94Å; N817-T820 PolarHBondContact O-OG1 2.87Å; V818-T820 PolarHBondContact O-N 3.2Å
821I76.9Confident76.1Confident13 Ų1381.1 Ų81.17%0.06743%0.43CS..Hα-helixtrans-100.7-9.2-177.262.9171.8000114I789 L804 L807 V818 G819 D823 Y824 L825I789-I821 HydrophobicContact CD1-CG2 3.68Å; L804-I821 HydrophobicContact CD2-CD1 3.78Å; L807-I821 HydrophobicContact CD1-CD1 4.4Å; L807-I821 HydrophobicContact CD1-CG2 3.65Å; V818-I821 HydrophobicContact CG1-CG1 4.47Å; V818-I821 WeakPolarHBondContact O-CG1 3.46Å; V818-I821 PolarHBondContact O-N 3.15Å; V818-I821 VanDerWaalsContact O-N 3.13Å; G819-I821 VanDerWaalsContact C-N 3.31Å; G819-I821 PolarHBondContact O-N 3.18Å; I821-D823 VanDerWaalsContact C-N 3.33Å; I821-D823 PolarHBondContact O-N 3.35Å; I821-Y824 WeakPolarHBondContact O-CB 3.29Å; I821-Y824 PolarHBondContact O-N 2.83Å; I821-Y824 VanDerWaalsContact O-N 3.12Å; I821-L825 HydrophobicContact CD1-CD1 4.08Å; I821-L825 HydrophobicContact CG1-CD1 4.25Å; I821-L825 PolarHBondContact O-N 2.77Å
822R81.7Confident77Confident161 Ų16176.8 Ų76.861%0.60841%0.412SS*.Hα-helixtrans-53.9-48-177.1-179.4-177.5173.8165.10.7112.3V818 Y824 L825 L826V818-R822 PolarHBondContact O-N 2.78Å; R822-Y824 VanDerWaalsContact C-N 3.28Å; R822-Y824 PolarHBondContact O-N 3.48Å; R822-L825 PolarHBondContact O-N 3.23Å; R822-L826 HydrophobicContact CG-CD1 3.87Å; R822-L826 HydrophobicContact CG-CG 4.45Å; R822-L826 WeakPolarHBondContact O-CB 3.28Å; R822-L826 WeakPolarHBondContact O-CG 3.09Å; R822-L826 PolarHBondContact O-N 3.38Å
823D82.3Confident78.1Confident73 Ų7374.1 Ų74.139%0.3940%0.396SS..Hα-helixtrans-64.3-33.9-178.4-64.4-19.3000112.2K786 I821 R827K786-D823 IonicContact NZ-OD2 3.67Å; K786-D823 PolarHBondContact NZ-OD2 3.39Å; I821-D823 VanDerWaalsContact C-N 3.33Å; I821-D823 PolarHBondContact O-N 3.35Å; D823-R827 WeakPolarHBondContact O-CB 3.33Å; D823-R827 WeakPolarHBondContact O-CG 3.33Å; D823-R827 PolarHBondContact O-N 3.38Å; D823-R827 PolarHBondContact O-NE 3.36Å
824Y83.1Confident79.4Confident6 Ų671 Ų712%0.02439%0.385CS..Hα-helixtrans-70-48.6177167.6-110.5000111.3I789 D793 P800 V803 I821 R822 L826 R827 H828I789-Y824 HydrophobicContact CG2-CD1 4.02Å; I789-Y824 HydrophobicContact CG2-CD2 3.9Å; I789-Y824 HydrophobicContact CG2-CE2 4.43Å; I789-Y824 HydrophobicContact CG2-CG 3.66Å; D793-Y824 HydrophobicContact CB-CD2 4.12Å; D793-Y824 HydrophobicContact CB-CE2 3.78Å; P800-Y824 WeakPolarHBondContact CA-OH 3.26Å; P800-Y824 HydrophobicContact CB-CE1 4.05Å; V803-Y824 HydrophobicContact CB-CE1 4.25Å; V803-Y824 HydrophobicContact CG1-CE1 4.05Å; I821-Y824 WeakPolarHBondContact O-CB 3.29Å; I821-Y824 PolarHBondContact O-N 2.83Å; I821-Y824 VanDerWaalsContact O-N 3.12Å; R822-Y824 VanDerWaalsContact C-N 3.28Å; R822-Y824 PolarHBondContact O-N 3.48Å; Y824-L826 PolarHBondContact O-N 3.3Å; Y824-R827 PolarHBondContact O-N 2.88Å; Y824-H828 PolarHBondContact O-N 3.39Å
825L82.1Confident80.4Confident44 Ų4475.6 Ų75.623%0.2340%0.399CS..Hα-helixtrans-63.4-42.1179.3-66.2176.2000112.3L804 I821 R822 H828 L829L804-L825 HydrophobicContact CD1-CD2 3.94Å; L804-L825 HydrophobicContact CD2-CD1 4.26Å; L804-L825 HydrophobicContact CD2-CD2 4.19Å; L804-L825 HydrophobicContact CG-CD2 4.18Å; I821-L825 HydrophobicContact CD1-CD1 4.08Å; I821-L825 HydrophobicContact CG1-CD1 4.25Å; I821-L825 PolarHBondContact O-N 2.77Å; R822-L825 PolarHBondContact O-N 3.23Å; L825-H828 PolarHBondContact O-N 2.96Å; L825-L829 WeakPolarHBondContact O-CB 3.33Å; L825-L829 VanDerWaalsContact O-CG 3.28Å; L825-L829 WeakPolarHBondContact O-CG 3.39Å; L825-L829 PolarHBondContact O-N 3.43Å
826L85.3Confident81.3Confident74 Ų7477.1 Ų77.139%0.38740%0.402SS..Hα-helixtrans-62.1-47.8177.6-73.2173.1000111.3R822 Y824 H828 L829 E830R822-L826 HydrophobicContact CG-CD1 3.87Å; R822-L826 HydrophobicContact CG-CG 4.45Å; R822-L826 WeakPolarHBondContact O-CB 3.28Å; R822-L826 WeakPolarHBondContact O-CG 3.09Å; R822-L826 PolarHBondContact O-N 3.38Å; Y824-L826 PolarHBondContact O-N 3.3Å; L826-H828 VanDerWaalsContact C-N 3.28Å; L826-H828 PolarHBondContact O-N 3.04Å; L826-L829 PolarHBondContact O-N 3.42Å; L826-E830 WeakPolarHBondContact O-CB 3.3Å; L826-E830 VanDerWaalsContact O-CG 3.28Å; L826-E830 WeakPolarHBondContact O-CG 3.5Å; L826-E830 PolarHBondContact O-N 2.79Å
827R84.5Confident82.4Confident112 Ų11279.7 Ų79.742%0.42341%0.414SS..Hα-helixtrans-56-43.5175.8-81.4-176.3-68.6164.8-8.8112D790 D793 D823 Y824 G831D790-R827 IonicContact OD1-CZ 3.35Å; D790-R827 IonicContact OD1-NH1 2.88Å; D790-R827 IonicContact OD1-NH2 2.79Å; D790-R827 PolarHBondContact OD1-NH2 3.28Å; D793-R827 IonicContact OD2-NH1 3.64Å; D823-R827 WeakPolarHBondContact O-CB 3.33Å; D823-R827 WeakPolarHBondContact O-CG 3.33Å; D823-R827 PolarHBondContact O-N 3.38Å; D823-R827 PolarHBondContact O-NE 3.36Å; Y824-R827 PolarHBondContact O-N 2.88Å; R827-G831 PolarHBondContact O-N 3.26Å
828H82.4Confident83.1Confident88 Ų8878 Ų7841%0.40741%0.412SS..Hα-helixtrans-70.2-42.3-179.1-162.890.6000112.9P800 Y824 L825 L826 G831 G832P800-H828 HydrophobicContact CG-CB 4.12Å; P800-H828 WeakPolarHBondContact CG-CD2 3.12Å; P800-H828 WeakPolarHBondContact CG-CE1 3.49Å; P800-H828 VanDerWaalsContact CG-ND1 3.33Å; P800-H828 WeakPolarHBondContact CG-ND1 3.5Å; P800-H828 WeakPolarHBondContact CG-NE2 3.13Å; Y824-H828 PolarHBondContact O-N 3.39Å; L825-H828 PolarHBondContact O-N 2.96Å; L826-H828 VanDerWaalsContact C-N 3.28Å; L826-H828 PolarHBondContact O-N 3.04Å; H828-G831 PolarHBondContact O-N 2.85Å; H828-G832 PolarHBondContact O-N 3.28Å
829L83.9Confident83.7Confident121 Ų12179.2 Ų79.263%0.63441%0.412SS*.Hα-helixtrans-66.7-41.8178.5-71.5172.1000111.9L825 L826 G832 S833L825-L829 WeakPolarHBondContact O-CB 3.33Å; L825-L829 VanDerWaalsContact O-CG 3.28Å; L825-L829 WeakPolarHBondContact O-CG 3.39Å; L825-L829 PolarHBondContact O-N 3.43Å; L826-L829 PolarHBondContact O-N 3.42Å; L829-G832 PolarHBondContact O-N 3.25Å; L829-S833 VanDerWaalsContact O-CB 3.32Å; L829-S833 WeakPolarHBondContact O-CB 3.31Å; L829-S833 PolarHBondContact O-N 3.44Å
830E88.1Confident84.5Confident119 Ų11983.3 Ų83.356%0.55642%0.419SS*.Hα-helixtrans-64-45.6175.4-72.8175.6-176.800111.2L826 G832 S833 N834L826-E830 WeakPolarHBondContact O-CB 3.3Å; L826-E830 VanDerWaalsContact O-CG 3.28Å; L826-E830 WeakPolarHBondContact O-CG 3.5Å; L826-E830 PolarHBondContact O-N 2.79Å; E830-G832 VanDerWaalsContact C-N 3.35Å; E830-G832 PolarHBondContact O-N 3.39Å; E830-S833 PolarHBondContact O-N 3.48Å; E830-N834 WeakPolarHBondContact O-CB 3.34Å; E830-N834 VanDerWaalsContact O-CG 3.26Å; E830-N834 PolarHBondContact O-N 2.78Å; E830-N834 PolarHBondContact O-ND2 3.29Å
831G83.6Confident85.3Confident40 Ų4087.8 Ų87.841%0.41244%0.442SS..Hα-helixtrans-59.7-43.9174.400000112.6R827 H828 N834 R835R827-G831 PolarHBondContact O-N 3.26Å; H828-G831 PolarHBondContact O-N 2.85Å; G831-N834 PolarHBondContact O-N 3.39Å; G831-R835 PolarHBondContact O-N 2.96Å; G831-R835 VanDerWaalsContact O-N 3.1Å
832G83.7Confident85.8Confident21 Ų2190.8 Ų90.822%0.21646%0.455CS..Hα-helixtrans-61.9-46.5175.600000112.7H828 L829 E830 N834 R835 I836H828-G832 PolarHBondContact O-N 3.28Å; L829-G832 PolarHBondContact O-N 3.25Å; E830-G832 VanDerWaalsContact C-N 3.35Å; E830-G832 PolarHBondContact O-N 3.39Å; G832-N834 PolarHBondContact O-N 3.45Å; G832-R835 PolarHBondContact O-N 3Å; G832-I836 VanDerWaalsContact O-CG1 3.31Å; G832-I836 WeakPolarHBondContact O-CG1 3.28Å; G832-I836 PolarHBondContact O-N 3.05Å
833S87.2Confident86Confident57 Ų5786.1 Ų86.140%0.39945%0.445SS..Hα-helixtrans-60.2-44.7177.9-174.40000112.1L829 E830 R835 I836 N837L829-S833 VanDerWaalsContact O-CB 3.32Å; L829-S833 WeakPolarHBondContact O-CB 3.31Å; L829-S833 PolarHBondContact O-N 3.44Å; E830-S833 PolarHBondContact O-N 3.48Å; S833-R835 VanDerWaalsContact C-N 3.32Å; S833-R835 PolarHBondContact O-N 3.33Å; S833-I836 PolarHBondContact O-N 2.73Å; S833-N837 PolarHBondContact O-N 2.91Å; S833-N837 PolarHBondContact O-ND2 3.01Å
834N90Very high86.5Confident112 Ų11286.3 Ų86.360%0.59945%0.446SS*.Hα-helixtrans-60.8-41.6176.1-71.5-27.9000111.9E830 G831 G832 N837 S838E830-N834 WeakPolarHBondContact O-CB 3.34Å; E830-N834 VanDerWaalsContact O-CG 3.26Å; E830-N834 PolarHBondContact O-N 2.78Å; E830-N834 PolarHBondContact O-ND2 3.29Å; G831-N834 PolarHBondContact O-N 3.39Å; G832-N834 PolarHBondContact O-N 3.45Å; N834-N837 PolarHBondContact O-N 3.11Å; N834-S838 PolarHBondContact O-N 2.91Å
835R84.2Confident86.9Confident190 Ų19092.9 Ų92.972%0.71747%0.471SS*.Hα-helixtrans-66.1-41.3176.7-166.1167.469-179.21.8112.1G831 G832 S833 S838 M839G831-R835 PolarHBondContact O-N 2.96Å; G831-R835 VanDerWaalsContact O-N 3.1Å; G832-R835 PolarHBondContact O-N 3Å; S833-R835 VanDerWaalsContact C-N 3.32Å; S833-R835 PolarHBondContact O-N 3.33Å; R835-S838 PolarHBondContact O-N 2.86Å; R835-M839 PolarHBondContact O-N 3.46Å
836I87.7Confident87.1Confident90 Ų9094.5 Ų94.546%0.46248%0.479SS..Hα-helixtrans-62-44.9175.8-69.2165000110.8G832 S833 M839 K840G832-I836 VanDerWaalsContact O-CG1 3.31Å; G832-I836 WeakPolarHBondContact O-CG1 3.28Å; G832-I836 PolarHBondContact O-N 3.05Å; S833-I836 PolarHBondContact O-N 2.73Å; I836-M839 PolarHBondContact O-N 3.38Å; I836-K840 HydrophobicContact CG2-CD 4.25Å; I836-K840 HydrophobicContact CG2-CG 4.5Å; I836-K840 WeakPolarHBondContact O-CG 3.38Å; I836-K840 PolarHBondContact O-N 3.08Å
837N92Very high87.3Confident75 Ų7599.1 Ų99.140%0.40149%0.492SS..Hα-helixtrans-64.6-41.7179.2-72.8-24.8000112.3S833 N834 M839 K840 N841S833-N837 PolarHBondContact O-N 2.91Å; S833-N837 PolarHBondContact O-ND2 3.01Å; N834-N837 PolarHBondContact O-N 3.11Å; N837-M839 VanDerWaalsContact C-N 3.29Å; N837-M839 PolarHBondContact O-N 2.99Å; N837-K840 PolarHBondContact O-N 3.07Å; N837-N841 PolarHBondContact O-N 3.37Å; N837-N841 VanDerWaalsContact O-N 3.09Å; N837-N841 PolarHBondContact O-ND2 2.89Å
838S88.3Confident87.6Confident81 Ų81101.5 Ų101.557%0.56651%0.505SS*.Hα-helixtrans-59.6-41.4173.8-170.80000111.8N834 R835 E842N834-S838 PolarHBondContact O-N 2.91Å; R835-S838 PolarHBondContact O-N 2.86Å; S838-E842 PolarHBondContact O-N 2.82Å
839M82.2Confident87.9Confident126 Ų126102.3 Ų102.362%0.62151%0.509SS*.Hα-helixtrans-71.1-37.9-179.6-165.9149.56200112.4R835 I836 N837 E842 V843R835-M839 PolarHBondContact O-N 3.46Å; I836-M839 PolarHBondContact O-N 3.38Å; N837-M839 VanDerWaalsContact C-N 3.29Å; N837-M839 PolarHBondContact O-N 2.99Å; M839-E842 PolarHBondContact O-N 3.31Å; M839-V843 WeakPolarHBondContact O-CG2 3.07Å; M839-V843 PolarHBondContact O-N 3.14Å
840K89.2Confident87.9Confident126 Ų12699.8 Ų99.855%0.54850%0.499SS..Hα-helixtrans-59.6-46.8172.9-76.3178.2177.7177.30112.1I836 N837 E842 V843 D844I836-K840 HydrophobicContact CG2-CD 4.25Å; I836-K840 HydrophobicContact CG2-CG 4.5Å; I836-K840 WeakPolarHBondContact O-CG 3.38Å; I836-K840 PolarHBondContact O-N 3.08Å; N837-K840 PolarHBondContact O-N 3.07Å; K840-E842 VanDerWaalsContact C-N 3.26Å; K840-E842 PolarHBondContact O-N 2.87Å; K840-V843 PolarHBondContact O-N 2.74Å; K840-D844 PolarHBondContact O-N 3.38Å
841N92.2Very high88Confident114 Ų114100.5 Ų100.561%0.6150%0.503SS*.Hα-helixtrans-59.5-38.9178.2-72-21.5000112.2N837 R845N837-N841 PolarHBondContact O-N 3.37Å; N837-N841 VanDerWaalsContact O-N 3.09Å; N837-N841 PolarHBondContact O-ND2 2.89Å; N841-R845 PolarHBondContact O-N 3.2Å; N841-R845 VanDerWaalsContact O-N 3.15Å
842E87.1Confident88.3Confident76 Ų76103.9 Ų103.936%0.35551%0.508SS..Hα-helixtrans-68.9-41.6177.5-178.158.8-169.700112.3S838 M839 K840 D844 R845 L846S838-E842 PolarHBondContact O-N 2.82Å; M839-E842 PolarHBondContact O-N 3.31Å; K840-E842 VanDerWaalsContact C-N 3.26Å; K840-E842 PolarHBondContact O-N 2.87Å; E842-D844 VanDerWaalsContact C-N 3.32Å; E842-D844 PolarHBondContact O-N 2.94Å; E842-R845 VanDerWaalsContact CD-NH2 3.3Å; E842-R845 WeakPolarHBondContact O-CB 3.48Å; E842-R845 PolarHBondContact O-N 2.87Å; E842-R845 IonicContact OE1-CZ 3.72Å; E842-R845 IonicContact OE1-NE 2.81Å; E842-R845 IonicContact OE1-NH2 2.86Å; E842-R845 PolarHBondContact OE1-NH2 3.43Å; E842-R845 IonicContact OE2-CZ 3.3Å; E842-R845 VanDerWaalsContact OE2-CZ 3.3Å; E842-R845 IonicContact OE2-NE 2.7Å; E842-R845 PolarHBondContact OE2-NE 2.86Å; E842-R845 IonicContact OE2-NH2 3.41Å; E842-R845 PolarHBondContact OE2-NH2 3.14Å; E842-R845 VanDerWaalsContact OE2-NH2 3.14Å; E842-L846 HydrophobicContact CG-CD1 4.31Å; E842-L846 WeakPolarHBondContact O-CG 3.08Å; E842-L846 PolarHBondContact O-N 2.91Å
843V87.7Confident88.4Confident64 Ų64106.5 Ų106.539%0.38852%0.517SS..Hα-helixtrans-59.4-42.8175.1168.80000111.4M839 K840 L846 R847M839-V843 WeakPolarHBondContact O-CG2 3.07Å; M839-V843 PolarHBondContact O-N 3.14Å; K840-V843 PolarHBondContact O-N 2.74Å; V843-L846 PolarHBondContact O-N 2.6Å; V843-R847 WeakPolarHBondContact O-CG 3.35Å; V843-R847 PolarHBondContact O-N 3.44Å
844D92Very high88.3Confident77 Ų77111.9 Ų111.941%0.41253%0.529SS..Hα-helixtrans-67.8-36.4179.1-74-23.7000112.9K840 E842 R847 K848K840-D844 PolarHBondContact O-N 3.38Å; E842-D844 VanDerWaalsContact C-N 3.32Å; E842-D844 PolarHBondContact O-N 2.94Å; D844-R847 PolarHBondContact O-N 3.24Å; D844-K848 WeakPolarHBondContact O-CG 3.36Å; D844-K848 PolarHBondContact O-N 3.43Å
845R92.4Very high88.1Confident143 Ų143110 Ų11054%0.5452%0.517SS..Hα-helixtrans-59.9-51173.6-173.9178.674.9120.83.2110.9N841 E842 R847 K848 E849N841-R845 PolarHBondContact O-N 3.2Å; N841-R845 VanDerWaalsContact O-N 3.15Å; E842-R845 VanDerWaalsContact CD-NH2 3.3Å; E842-R845 WeakPolarHBondContact O-CB 3.48Å; E842-R845 PolarHBondContact O-N 2.87Å; E842-R845 IonicContact OE1-CZ 3.72Å; E842-R845 IonicContact OE1-NE 2.81Å; E842-R845 IonicContact OE1-NH2 2.86Å; E842-R845 PolarHBondContact OE1-NH2 3.43Å; E842-R845 IonicContact OE2-CZ 3.3Å; E842-R845 VanDerWaalsContact OE2-CZ 3.3Å; E842-R845 IonicContact OE2-NE 2.7Å; E842-R845 PolarHBondContact OE2-NE 2.86Å; E842-R845 IonicContact OE2-NH2 3.41Å; E842-R845 PolarHBondContact OE2-NH2 3.14Å; E842-R845 VanDerWaalsContact OE2-NH2 3.14Å; R845-R847 PolarHBondContact O-N 2.94Å; R845-K848 PolarHBondContact O-N 3.44Å; R845-E849 PolarHBondContact O-N 2.84Å
846L85.7Confident87.9Confident78 Ų78104.5 Ų104.541%0.40850%0.5SS..Hα-helixtrans-65-36.3-179.6-68.3172.5000112.5E842 V843 E849 T850E842-L846 HydrophobicContact CG-CD1 4.31Å; E842-L846 WeakPolarHBondContact O-CG 3.08Å; E842-L846 PolarHBondContact O-N 2.91Å; V843-L846 PolarHBondContact O-N 2.6Å; L846-E849 PolarHBondContact O-N 3.46Å; L846-T850 WeakPolarHBondContact O-CB 3.42Å; L846-T850 PolarHBondContact O-N 3.04Å; L846-T850 PolarHBondContact O-OG1 3.24Å
847R89.3Confident87.6Confident172 Ų172104.6 Ų104.665%0.64951%0.505SS*.Hα-helixtrans-60.6-45.7175.3-80.7176.1173.5-178.1-3.8112.5V843 D844 R845 T850 M851V843-R847 WeakPolarHBondContact O-CG 3.35Å; V843-R847 PolarHBondContact O-N 3.44Å; D844-R847 PolarHBondContact O-N 3.24Å; R845-R847 PolarHBondContact O-N 2.94Å; R847-T850 PolarHBondContact O-N 3.36Å; R847-M851 PolarHBondContact O-N 3.48Å; R847-M851 VanDerWaalsContact O-N 3.08Å
848K90.8Very high87.1Confident161 Ų161108.2 Ų108.270%0.751%0.513SS*.Hα-helixtrans-61.8-45.8178.9-72.3173.9-177.4173.40111.7D844 R845 M851 H852D844-K848 WeakPolarHBondContact O-CG 3.36Å; D844-K848 PolarHBondContact O-N 3.43Å; R845-K848 PolarHBondContact O-N 3.44Å; K848-M851 PolarHBondContact O-N 2.92Å; K848-H852 PolarHBondContact O-N 3.41Å; K848-H852 VanDerWaalsContact O-N 3.12Å
849E87.7Confident86.7Confident105 Ų105109.5 Ų109.549%0.49151%0.509SS..Hα-helixtrans-64.7-42.8178.9-170.6172.6-178.100111.9R845 L846 M851 H852 N853R845-E849 PolarHBondContact O-N 2.84Å; L846-E849 PolarHBondContact O-N 3.46Å; E849-M851 VanDerWaalsContact C-N 3.29Å; E849-M851 PolarHBondContact O-N 3.18Å; E849-H852 PolarHBondContact O-N 3.38Å; E849-N853 VanDerWaalsContact O-CG 3.32Å; E849-N853 PolarHBondContact O-N 3.24Å; E849-N853 PolarHBondContact O-ND2 2.88Å
850T85.6Confident86.3Confident69 Ų69107.8 Ų107.842%0.42350%0.502SS..Hα-helixtrans-61.2-38.8177.6-52.50000111.8L846 R847 R854L846-T850 WeakPolarHBondContact O-CB 3.42Å; L846-T850 PolarHBondContact O-N 3.04Å; L846-T850 PolarHBondContact O-OG1 3.24Å; R847-T850 PolarHBondContact O-N 3.36Å; T850-R854 WeakPolarHBondContact O-CG 3.43Å; T850-R854 PolarHBondContact O-N 2.92Å; T850-R854 VanDerWaalsContact O-N 3.14Å
851M89.8Confident85.7Confident133 Ų133108.3 Ų108.366%0.65551%0.51SS*.Hα-helixtrans-67-43.6177.2-174.9172.7167.400112R847 K848 E849 R854 E855R847-M851 PolarHBondContact O-N 3.48Å; R847-M851 VanDerWaalsContact O-N 3.08Å; K848-M851 PolarHBondContact O-N 2.92Å; E849-M851 VanDerWaalsContact C-N 3.29Å; E849-M851 PolarHBondContact O-N 3.18Å; M851-R854 PolarHBondContact O-N 2.97Å; M851-E855 PolarHBondContact O-N 2.91Å
852H89.8Confident85Confident111 Ų111109.2 Ų109.251%0.51452%0.515SS..Hα-helixtrans-59.5-47.4176.1-178.264.6000111.8K848 E849 R854 E855 I856K848-H852 PolarHBondContact O-N 3.41Å; K848-H852 VanDerWaalsContact O-N 3.12Å; E849-H852 PolarHBondContact O-N 3.38Å; H852-R854 VanDerWaalsContact C-N 3.31Å; H852-R854 PolarHBondContact O-N 3.46Å; H852-E855 WeakPolarHBondContact O-CB 3.4Å; H852-E855 PolarHBondContact O-N 3.12Å; H852-I856 WeakPolarHBondContact NE2-CD1 3.46Å; H852-I856 PolarHBondContact O-N 3.44Å; H852-I856 VanDerWaalsContact O-N 3.16Å
853N86Confident84.3Confident76 Ų76112.1 Ų112.141%0.40653%0.529SS..Hα-helixtrans-61.1-38.8179.2-69.4-16.6000111.9E849 E855 I856 V857E849-N853 VanDerWaalsContact O-CG 3.32Å; E849-N853 PolarHBondContact O-N 3.24Å; E849-N853 PolarHBondContact O-ND2 2.88Å; N853-E855 VanDerWaalsContact C-N 3.3Å; N853-E855 PolarHBondContact O-N 3.26Å; N853-I856 PolarHBondContact O-N 3.48Å; N853-V857 WeakPolarHBondContact O-CG2 3.38Å; N853-V857 PolarHBondContact O-N 3.05Å
854R85.2Confident83.6Confident171 Ų171115.7 Ų115.765%0.64555%0.55SS**Hα-helixtrans-62.7-34.2174.7-76.2175.7-179.3174.41.2113.2T850 M851 H852 R858T850-R854 WeakPolarHBondContact O-CG 3.43Å; T850-R854 PolarHBondContact O-N 2.92Å; T850-R854 VanDerWaalsContact O-N 3.14Å; M851-R854 PolarHBondContact O-N 2.97Å; H852-R854 VanDerWaalsContact C-N 3.31Å; H852-R854 PolarHBondContact O-N 3.46Å; R854-R858 PolarHBondContact O-N 3.06Å
855E84.7Confident82.7Confident73 Ų73115.7 Ų115.734%0.34155%0.547SS..Hα-helixtrans-71.6-40.3178.4-160.1-175.4144.600111.8M851 H852 N853 V857 R858 K859M851-E855 PolarHBondContact O-N 2.91Å; H852-E855 WeakPolarHBondContact O-CB 3.4Å; H852-E855 PolarHBondContact O-N 3.12Å; N853-E855 VanDerWaalsContact C-N 3.3Å; N853-E855 PolarHBondContact O-N 3.26Å; E855-V857 VanDerWaalsContact C-N 3.33Å; E855-V857 PolarHBondContact O-N 2.8Å; E855-R858 PolarHBondContact O-N 3.01Å; E855-K859 PolarHBondContact O-N 3.44Å; E855-K859 WeakPolarHBondContact OE1-CE 3.5Å; E855-K859 IonicContact OE1-NZ 3.91Å; E855-K859 PolarHBondContact OE1-NZ 2.86Å
856I81.6Confident81.8Confident73 Ų73114.9 Ų114.937%0.37455%0.552SS.*Hα-helixtrans-59.1-47.2173.3-65.7171.8000110.2H852 N853 R858 K859 L860H852-I856 WeakPolarHBondContact NE2-CD1 3.46Å; H852-I856 PolarHBondContact O-N 3.44Å; H852-I856 VanDerWaalsContact O-N 3.16Å; N853-I856 PolarHBondContact O-N 3.48Å; I856-R858 VanDerWaalsContact C-N 3.32Å; I856-R858 PolarHBondContact O-N 3.25Å; I856-K859 PolarHBondContact O-N 3.4Å; I856-L860 HydrophobicContact CG2-CD1 4.01Å; I856-L860 WeakPolarHBondContact O-CG 3.2Å; I856-L860 PolarHBondContact O-N 2.97Å
857V80.1Confident81.2Confident92 Ų92114.8 Ų114.856%0.55855%0.548SS*.Hα-helixtrans-59.5-43.1177.5172.70000111.2N853 E855 K859 L860 N861N853-V857 WeakPolarHBondContact O-CG2 3.38Å; N853-V857 PolarHBondContact O-N 3.05Å; E855-V857 VanDerWaalsContact C-N 3.33Å; E855-V857 PolarHBondContact O-N 2.8Å; V857-K859 PolarHBondContact O-N 3.23Å; V857-L860 PolarHBondContact O-N 3.4Å; V857-N861 PolarHBondContact O-N 2.77Å; V857-N861 VanDerWaalsContact O-N 3.16Å
858R81.4Confident80.6Confident151 Ų151114 Ų11457%0.5755%0.551SS**Hα-helixtrans-61-43.4176-99.5-171.9-73.3132-2.6113R854 E855 I856 L860 N861 N862R854-R858 PolarHBondContact O-N 3.06Å; E855-R858 PolarHBondContact O-N 3.01Å; I856-R858 VanDerWaalsContact C-N 3.32Å; I856-R858 PolarHBondContact O-N 3.25Å; R858-L860 VanDerWaalsContact C-N 3.35Å; R858-N861 PolarHBondContact O-N 3.49Å; R858-N862 PolarHBondContact O-N 3.26Å
859K79.3Confident79.9Confident109 Ų109109.8 Ų109.847%0.47453%0.534SS..Hα-helixtrans-62.5-43.1178.7-74.5176-175.6160.50111.3E855 I856 V857 N861 Q863E855-K859 PolarHBondContact O-N 3.44Å; E855-K859 WeakPolarHBondContact OE1-CE 3.5Å; E855-K859 IonicContact OE1-NZ 3.91Å; E855-K859 PolarHBondContact OE1-NZ 2.86Å; I856-K859 PolarHBondContact O-N 3.4Å; V857-K859 PolarHBondContact O-N 3.23Å; K859-N861 VanDerWaalsContact C-N 3.32Å; K859-N861 PolarHBondContact O-N 2.97Å; K859-Q863 PolarHBondContact O-N 3.28Å
860L74.9Confident79.6Confident90 Ų90112.5 Ų112.547%0.47155%0.547SS..Hα-helixtrans-66.4-30179.2-71170.5000113.6I856 V857 R858I856-L860 HydrophobicContact CG2-CD1 4.01Å; I856-L860 WeakPolarHBondContact O-CG 3.2Å; I856-L860 PolarHBondContact O-N 2.97Å; V857-L860 PolarHBondContact O-N 3.4Å; R858-L860 VanDerWaalsContact C-N 3.35Å
861N76.1Confident79.7Confident137 Ų137115.6 Ų115.673%0.73356%0.555SS**Hα-helixtrans-83.9-32.3-176.8-129.720.4000113.8V857 R858 K859V857-N861 PolarHBondContact O-N 2.77Å; V857-N861 VanDerWaalsContact O-N 3.16Å; R858-N861 PolarHBondContact O-N 3.49Å; K859-N861 VanDerWaalsContact C-N 3.32Å; K859-N861 PolarHBondContact O-N 2.97Å
862N77Confident79.6Confident132 Ų132109.2 Ų109.271%0.70652%0.523SS*.Hα-helixtrans-107.4-16.2-167-66.8-6.4000114.4R858R858-N862 PolarHBondContact O-N 3.26Å
863Q74.3Confident79.3Confident138 Ų138107.7 Ų107.765%0.64552%0.517SS*.SBendtrans-102.8130.8-178.8-69.3-176.3-23.100111K859 K865K859-Q863 PolarHBondContact O-N 3.28Å; Q863-K865 PolarHBondContact O-N 2.88Å
864V72.8Confident79.1Confident138 Ų138107.1 Ų107.184%0.83651%0.513SS*.PPolyproline II helixtrans-61.2119.2170.4171.70000108.6
865K71.7Confident79.1Confident78 Ų78101.1 Ų101.134%0.33950%0.497SS..PPolyproline II helixtrans-88116.1176.9-171.395.6179.4-172.40109Q863 F867 L887 D889Q863-K865 PolarHBondContact O-N 2.88Å; K865-F867 HydrophobicContact CB-CZ 4.33Å; K865-F867 HydrophobicContact CG-CE1 4.01Å; K865-F867 HydrophobicContact CG-CZ 4.16Å; K865-L887 HydrophobicContact CB-CD2 4.18Å; K865-L887 HydrophobicContact CG-CD2 4.48Å; K865-D889 WeakPolarHBondContact CE-OD1 3.28Å; K865-D889 VanDerWaalsContact CE-OD2 3.28Å; K865-D889 WeakPolarHBondContact CE-OD2 3.26Å; K865-D889 IonicContact NZ-OD1 3.12Å; K865-D889 PolarHBondContact NZ-OD1 3.11Å; K865-D889 IonicContact NZ-OD2 2.81Å; K865-D889 PolarHBondContact NZ-OD2 3.35Å
866I74.8Confident79Confident126 Ų126103.5 Ų103.565%0.64651%0.508SS*.PPolyproline II helixtrans-85.8118177.6-56.5172.2000108.8Q868I866-Q868 HydrophobicContact CG2-CG 3.98Å
867F73.1Confident79.1Confident76 Ų76106.5 Ų106.533%0.33352%0.52SS..  trans-88.1112.1177-57.4-73.5000110.3K865 H885 F886 L887K865-F867 HydrophobicContact CB-CZ 4.33Å; K865-F867 HydrophobicContact CG-CE1 4.01Å; K865-F867 HydrophobicContact CG-CZ 4.16Å; F867-H885 HydrophobicContact CB-CB 4.37Å; F867-H885 HydrophobicContact CD1-CB 3.97Å; F867-H885 HydrophobicContact CD2-CB 4.05Å; F867-H885 HydrophobicContact CE1-CB 4.27Å; F867-H885 HydrophobicContact CE2-CB 4.34Å; F867-H885 HydrophobicContact CG-CB 3.85Å; F867-H885 HydrophobicContact CZ-CB 4.43Å; F867-F886 VanDerWaalsContact CE1-O 3.26Å; F867-F886 WeakPolarHBondContact CE1-O 3.46Å; F867-L887 HydrophobicContact CZ-CD2 4.15Å
868Q74.9Confident79.3Confident154 Ų154105.9 Ų105.972%0.7252%0.52SS*.  trans-105.22.6-177.4-63.9-174.2-2.700113.5I866 Q870I866-Q868 HydrophobicContact CG2-CG 3.98Å; Q868-Q870 PolarHBondContact O-N 3.25Å
869Q77.3Confident79.2Confident73 Ų7399.9 Ų99.934%0.34150%0.499SS..  trans-66.5121.4179.5-87.974.73.500111.4L879 D889 S891Q869-L879 WeakPolarHBondContact O-CD1 3.48Å; Q869-D889 PolarHBondContact NE2-O 3.11Å; Q869-D889 PolarHBondContact OE1-O 3.3Å; Q869-S891 WeakPolarHBondContact CB-OG 3.35Å
870Q81.8Confident79.2Confident163 Ų163100.1 Ų100.176%0.76251%0.506SS*.  trans-97.9-8.1177.8-63.9-176.8-5.400113.7Q868 S878 L879Q868-Q870 PolarHBondContact O-N 3.25Å; Q870-S878 CarbonylContact O-C 3.59Å; Q870-S878 WeakPolarHBondContact O-CA 3.36Å; Q870-L879 PolarHBondContact O-N 2.71Å
871K86.2Confident79.2Confident133 Ų133101.5 Ų101.558%0.57852%0.52SS*.BIsolated β-bridgetrans-126.7143.6-175.6-63.6-178.7-178.6-1780110.5Q877 L879K871-Q877 WeakPolarHBondContact CA-O 3.44Å; K871-L879 VanDerWaalsContact C-CG 3.5Å; K871-L879 WeakPolarHBondContact O-CD1 3.45Å
872C88.6Confident78.7Confident0 Ų099.2 Ų99.20%051%0.512CS..  trans-69.2134.3175.3171.50000109.9L874 C875 H876 Q877 L879 H893C872-L874 PolarHBondContact O-N 3.42Å; C872-L874 PolarHBondContact SG-N 3.32Å; C872-C875 VanDerWaalsContact CB-SG 3.58Å; C872-H876 WeakPolarHBondContact O-CA 2.97Å; C872-H876 PolarHBondContact O-N 2.93Å; C872-H876 PolarHBondContact O-ND1 2.93Å; C872-Q877 PolarHBondContact N-O 2.93Å; C872-L879 HydrophobicContact CB-CD2 3.67Å; C872-L879 HydrophobicContact CB-CG 4.31Å; C872-H893 WeakPolarHBondContact CB-CE1 3.27Å; C872-H893 WeakPolarHBondContact CB-ND1 3.29Å; C872-H893 PolarHBondContact SG-N 3.19Å
873Q84Confident79Confident79 Ų7994.8 Ų94.837%0.36949%0.492SS..THydrogen-bonded Turntrans-68.7-21.4-179.5-168.466.718.300113.3H876 S891 Y892Q873-H876 PolarHBondContact O-CE1 3.45Å; Q873-S891 PolarHBondContact N-O 3.24Å; Q873-Y892 HydrophobicContact CB-CD1 4Å; Q873-Y892 HydrophobicContact CB-CE1 3.59Å; Q873-Y892 HydrophobicContact CG-CE1 4.24Å
874L81.8Confident79.4Confident63 Ų6390.5 Ų90.533%0.3347%0.473SS..THydrogen-bonded Turntrans-89-57178.2-74.5165.8000112.7C872 Y892 C896 Y900C872-L874 PolarHBondContact O-N 3.42Å; C872-L874 PolarHBondContact SG-N 3.32Å; L874-Y892 HydrophobicContact CB-CD1 4.26Å; L874-Y892 HydrophobicContact CD1-CD1 3.62Å; L874-Y892 HydrophobicContact CD1-CE1 3.95Å; L874-Y892 HydrophobicContact CD2-CE1 4.49Å; L874-Y892 HydrophobicContact CG-CD1 3.61Å; L874-Y892 HydrophobicContact CG-CE1 3.67Å; L874-C896 HydrophobicContact CB-CB 4.31Å; L874-C896 HydrophobicContact CD1-CB 4.15Å; L874-C896 VanDerWaalsContact CD1-O 3.29Å; L874-C896 WeakPolarHBondContact CD1-O 3.31Å; L874-Y900 HydrophobicContact CD1-CD2 3.97Å; L874-Y900 HydrophobicContact CD1-CG 3.95Å; L874-Y900 HydrophobicContact CD2-CG 4.3Å
875C84.3Confident79.9Confident46 Ų4687.2 Ų87.231%0.31145%0.448SS..THydrogen-bonded Turntrans-93.9-8.7-175.174.20000113.7C872 Q877 H893C872-C875 VanDerWaalsContact CB-SG 3.58Å; C875-Q877 PolarHBondContact O-N 3.17Å; C875-H893 PolarHBondContact SG-CE1 3.41Å; C875-H893 PolarHBondContact SG-ND1 3.25Å
876H82.4Confident80.4Confident122 Ų12284.8 Ų84.857%0.56544%0.438SS*.  trans58.17.3-178.7-57.4-50.9000116.4C872 Q873C872-H876 WeakPolarHBondContact O-CA 2.97Å; C872-H876 PolarHBondContact O-N 2.93Å; C872-H876 PolarHBondContact O-ND1 2.93Å; Q873-H876 PolarHBondContact O-CE1 3.45Å
877Q84.1Confident80.5Confident137 Ų13784 Ų8464%0.6443%0.434SS*.SBendtrans-78.5156.4171-62.7177.14.200110.2K871 C872 C875 L879K871-Q877 WeakPolarHBondContact CA-O 3.44Å; C872-Q877 PolarHBondContact N-O 2.93Å; C875-Q877 PolarHBondContact O-N 3.17Å; Q877-L879 PolarHBondContact O-N 2.87Å
878S84.4Confident80.9Confident78 Ų7882.9 Ų82.955%0.54544%0.435SS..BIsolated β-bridgetrans-52.2134.3175.8-51.60000110.5Q870 D880 H893Q870-S878 CarbonylContact O-C 3.59Å; Q870-S878 WeakPolarHBondContact O-CA 3.36Å; S878-D880 PolarHBondContact O-N 3.16Å; S878-D880 VanDerWaalsContact O-N 3.14Å; S878-H893 PolarHBondContact O-CE1 3.49Å; S878-H893 PolarHBondContact O-NE2 3.31Å
879L78.7Confident81Confident26 Ų2678.1 Ų78.114%0.13642%0.415CS..  trans-71.6105.4-178.9-78163.6000110.2Q869 Q870 K871 C872 Q877 H893Q869-L879 WeakPolarHBondContact O-CD1 3.48Å; Q870-L879 PolarHBondContact O-N 2.71Å; K871-L879 VanDerWaalsContact C-CG 3.5Å; K871-L879 WeakPolarHBondContact O-CD1 3.45Å; C872-L879 HydrophobicContact CB-CD2 3.67Å; C872-L879 HydrophobicContact CB-CG 4.31Å; Q877-L879 PolarHBondContact O-N 2.87Å; L879-H893 WeakPolarHBondContact CA-NE2 3.47Å
880D79.1Confident81.4Confident114 Ų11476.6 Ų76.661%0.6141%0.408SS*.PPolyproline II helixtrans-84.5136.8169.8-67.7-22.9000109.5S878 H893S878-D880 PolarHBondContact O-N 3.16Å; S878-D880 VanDerWaalsContact O-N 3.14Å; D880-H893 PolarHBondContact N-CD2 3.26Å; D880-H893 PolarHBondContact N-NE2 2.89Å
881P75.7Confident81.6Confident118 Ų11868.9 Ų68.977%0.76637%0.372SS*.SBendtrans-68.9140177.725.9-32.2000111.2
882P66.7Low81.6Confident89 Ų8962.7 Ų62.758%0.57835%0.345SS*.SBendcis-85.7132.23.832.1-32.7000114.2R894P882-R894 WeakPolarHBondContact O-CB 3.49Å; P882-R894 PolarHBondContact O-N 2.93Å
883S82.9Confident81.6Confident40 Ų4063.8 Ų63.828%0.2835%0.35SS..EExtended strand (participates in β ladder)trans-107.3155.2174.452.30000112.3H885 Y892S883-H885 PolarHBondContact OG-NE2 2.97Å; S883-Y892 WeakPolarHBondContact CA-O 3.45Å
884I82.2Confident81.6Confident48 Ų4866.7 Ų66.725%0.24636%0.357CS..EExtended strand (participates in β ladder)trans-113.1129.8179.6-61.9173.6000108.8F886 S891 Y892 R894 F897I884-F886 HydrophobicContact CG2-CE2 3.91Å; I884-F886 HydrophobicContact CG2-CZ 4.26Å; I884-S891 CarbonylContact O-C 3.58Å; I884-S891 WeakPolarHBondContact O-CA 3.36Å; I884-Y892 PolarHBondContact N-O 2.85Å; I884-Y892 PolarHBondContact O-N 3.21Å; I884-R894 HydrophobicContact CD1-CB 4.3Å; I884-R894 HydrophobicContact CD1-CG 4.2Å; I884-F897 HydrophobicContact CD1-CB 3.97Å; I884-F897 HydrophobicContact CD1-CD1 3.35Å; I884-F897 HydrophobicContact CD1-CE1 4.05Å; I884-F897 HydrophobicContact CD1-CG 3.8Å
885H83.8Confident81.6Confident68 Ų6869.7 Ų69.732%0.31537%0.372SS..EExtended strand (participates in β ladder)trans-122.1136.1-176.6-56.8-86.8000110.7F867 S883 S891F867-H885 HydrophobicContact CB-CB 4.37Å; F867-H885 HydrophobicContact CD1-CB 3.97Å; F867-H885 HydrophobicContact CD2-CB 4.05Å; F867-H885 HydrophobicContact CE1-CB 4.27Å; F867-H885 HydrophobicContact CE2-CB 4.34Å; F867-H885 HydrophobicContact CG-CB 3.85Å; F867-H885 HydrophobicContact CZ-CB 4.43Å; S883-H885 PolarHBondContact OG-NE2 2.97Å; H885-S891 VanDerWaalsContact ND1-CB 3.28Å; H885-S891 WeakPolarHBondContact ND1-CB 3.49Å; H885-S891 PolarHBondContact ND1-OG 3.38Å
886F81.9Confident81.6Confident28 Ų2868.7 Ų68.712%0.12337%0.365CS..  trans-109.1148.5176.2-71.7-86.8000111.6F867 I884 C888 D889 H890 Y892 F897 Q906 C907F867-F886 VanDerWaalsContact CE1-O 3.26Å; F867-F886 WeakPolarHBondContact CE1-O 3.46Å; I884-F886 HydrophobicContact CG2-CE2 3.91Å; I884-F886 HydrophobicContact CG2-CZ 4.26Å; F886-C888 VanDerWaalsContact CB-SG 3.51Å; F886-C888 PolarHBondContact O-N 2.91Å; F886-D889 WeakPolarHBondContact O-CA 3.37Å; F886-D889 PolarHBondContact O-N 3.31Å; F886-H890 PolarHBondContact N-O 3.45Å; F886-Y892 HydrophobicContact CD2-CD2 4.01Å; F886-Y892 AromaticContact CD2-CE2 3.85Å; F886-Y892 HydrophobicContact CD2-CE2 3.85Å; F886-Y892 AromaticContact CE2-CD2 4Å; F886-Y892 HydrophobicContact CE2-CD2 4Å; F886-Y892 HydrophobicContact CE2-CE2 4.05Å; F886-F897 AromaticContact CE2-CD2 3.87Å; F886-F897 HydrophobicContact CE2-CD2 3.87Å; F886-F897 AromaticContact CE2-CE2 3.58Å; F886-F897 HydrophobicContact CE2-CE2 3.58Å; F886-F897 HydrophobicContact CE2-CZ 4.39Å; F886-F897 HydrophobicContact CZ-CD2 4.09Å; F886-F897 AromaticContact CZ-CE2 3.32Å; F886-F897 HydrophobicContact CZ-CE2 3.32Å; F886-F897 AromaticContact CZ-CZ 3.79Å; F886-F897 HydrophobicContact CZ-CZ 3.79Å; F886-Q906 VanDerWaalsContact CE1-C 3.48Å; F886-C907 HydrophobicContact CB-CB 4.12Å; F886-C907 HydrophobicContact CD1-CB 3.84Å; F886-C907 HydrophobicContact CD2-CB 3.91Å; F886-C907 HydrophobicContact CE1-CB 4.25Å; F886-C907 VanDerWaalsContact CE1-N 3.31Å; F886-C907 HydrophobicContact CE2-CB 4.3Å; F886-C907 HydrophobicContact CG-CB 3.66Å; F886-C907 HydrophobicContact CZ-CB 4.47Å
887L77.2Confident81.7Confident110 Ų11063.1 Ų63.158%0.57634%0.34SS*.THydrogen-bonded Turntrans-59.2-13.9176.6-70.1169.1000114.7K865 F867 D889K865-L887 HydrophobicContact CB-CD2 4.18Å; K865-L887 HydrophobicContact CG-CD2 4.48Å; F867-L887 HydrophobicContact CZ-CD2 4.15Å; L887-D889 PolarHBondContact O-N 2.89Å
888C80.3Confident81.5Confident52 Ų5261 Ų6135%0.35133%0.333SS..THydrogen-bonded Turntrans-81.212.3169.561.70000113.9F886 H890 C910F886-C888 VanDerWaalsContact CB-SG 3.51Å; F886-C888 PolarHBondContact O-N 2.91Å; C888-H890 PolarHBondContact O-N 2.87Å; C888-H890 PolarHBondContact SG-ND1 3.09Å; C888-C910 VanDerWaalsContact SG-SG 3.65Å
889D77.9Confident81.3Confident54 Ų5463.2 Ų63.229%0.28934%0.338SS..SBendtrans68.64.1-177.6-64.2-41.1000116K865 Q869 F886 L887K865-D889 WeakPolarHBondContact CE-OD1 3.28Å; K865-D889 VanDerWaalsContact CE-OD2 3.28Å; K865-D889 WeakPolarHBondContact CE-OD2 3.26Å; K865-D889 IonicContact NZ-OD1 3.12Å; K865-D889 PolarHBondContact NZ-OD1 3.11Å; K865-D889 IonicContact NZ-OD2 2.81Å; K865-D889 PolarHBondContact NZ-OD2 3.35Å; Q869-D889 PolarHBondContact NE2-O 3.11Å; Q869-D889 PolarHBondContact OE1-O 3.3Å; F886-D889 WeakPolarHBondContact O-CA 3.37Å; F886-D889 PolarHBondContact O-N 3.31Å; L887-D889 PolarHBondContact O-N 2.89Å
890H86Confident81.1Confident41 Ų4169.4 Ų69.419%0.1936%0.361CS..  trans-81.8130.5174.2-63.2114.8000111.7F886 C888 Y892 C907F886-H890 PolarHBondContact N-O 3.45Å; C888-H890 PolarHBondContact O-N 2.87Å; C888-H890 PolarHBondContact SG-ND1 3.09Å; H890-Y892 HydrophobicContact CB-CE2 3.63Å; H890-Y892 WeakPolarHBondContact CB-OH 3.25Å; H890-C907 VanDerWaalsContact CB-SG 3.55Å
891S86Confident80.5Confident1 Ų165.3 Ų65.31%0.00734%0.343CS..EExtended strand (participates in β ladder)trans-127.2137.7-176.9-55.70000110.9Q869 Q873 I884 H885Q869-S891 WeakPolarHBondContact CB-OG 3.35Å; Q873-S891 PolarHBondContact N-O 3.24Å; I884-S891 CarbonylContact O-C 3.58Å; I884-S891 WeakPolarHBondContact O-CA 3.36Å; H885-S891 VanDerWaalsContact ND1-CB 3.28Å; H885-S891 WeakPolarHBondContact ND1-CB 3.49Å; H885-S891 PolarHBondContact ND1-OG 3.38Å
892Y85.4Confident80.1Confident3 Ų368.8 Ų68.81%0.01234%0.342CS..EExtended strand (participates in β ladder)trans-137.2150.5-173.2-52.8-88.9000111.2Q873 L874 S883 I884 F886 H890 C907 P908Q873-Y892 HydrophobicContact CB-CD1 4Å; Q873-Y892 HydrophobicContact CB-CE1 3.59Å; Q873-Y892 HydrophobicContact CG-CE1 4.24Å; L874-Y892 HydrophobicContact CB-CD1 4.26Å; L874-Y892 HydrophobicContact CD1-CD1 3.62Å; L874-Y892 HydrophobicContact CD1-CE1 3.95Å; L874-Y892 HydrophobicContact CD2-CE1 4.49Å; L874-Y892 HydrophobicContact CG-CD1 3.61Å; L874-Y892 HydrophobicContact CG-CE1 3.67Å; S883-Y892 WeakPolarHBondContact CA-O 3.45Å; I884-Y892 PolarHBondContact N-O 2.85Å; I884-Y892 PolarHBondContact O-N 3.21Å; F886-Y892 HydrophobicContact CD2-CD2 4.01Å; F886-Y892 AromaticContact CD2-CE2 3.85Å; F886-Y892 HydrophobicContact CD2-CE2 3.85Å; F886-Y892 AromaticContact CE2-CD2 4Å; F886-Y892 HydrophobicContact CE2-CD2 4Å; F886-Y892 HydrophobicContact CE2-CE2 4.05Å; H890-Y892 HydrophobicContact CB-CE2 3.63Å; H890-Y892 WeakPolarHBondContact CB-OH 3.25Å; Y892-C907 PolarHBondContact OH-SG 3.35Å; Y892-P908 HydrophobicContact CE2-CG 4.49Å
893H89Confident80.1Confident23 Ų2365.8 Ų65.811%0.10633%0.327CS..EExtended strand (participates in β ladder)trans-62.7147.3163.2-61.6104.5000108.7C872 C875 S878 L879 D880 I895 C896 F897C872-H893 WeakPolarHBondContact CB-CE1 3.27Å; C872-H893 WeakPolarHBondContact CB-ND1 3.29Å; C872-H893 PolarHBondContact SG-N 3.19Å; C875-H893 PolarHBondContact SG-CE1 3.41Å; C875-H893 PolarHBondContact SG-ND1 3.25Å; S878-H893 PolarHBondContact O-CE1 3.49Å; S878-H893 PolarHBondContact O-NE2 3.31Å; L879-H893 WeakPolarHBondContact CA-NE2 3.47Å; D880-H893 PolarHBondContact N-CD2 3.26Å; D880-H893 PolarHBondContact N-NE2 2.89Å; H893-I895 VanDerWaalsContact C-N 3.25Å; H893-I895 PolarHBondContact O-N 3.19Å; H893-C896 HydrophobicContact CB-CB 4.03Å; H893-C896 PolarHBondContact O-N 3.02Å; H893-F897 WeakPolarHBondContact O-CB 3.3Å; H893-F897 PolarHBondContact O-N 3.06Å
894R83Confident79.4Confident140 Ų14071 Ų7153%0.52835%0.352SS..Hα-helixtrans-52.4-45.9175.4179.4165.5178.5172.7-0.6112.3P882 I884 C896 F897 D898P882-R894 WeakPolarHBondContact O-CB 3.49Å; P882-R894 PolarHBondContact O-N 2.93Å; I884-R894 HydrophobicContact CD1-CB 4.3Å; I884-R894 HydrophobicContact CD1-CG 4.2Å; R894-C896 PolarHBondContact O-N 2.94Å; R894-F897 PolarHBondContact O-N 3.44Å; R894-D898 IonicContact NE-OD2 3.51Å; R894-D898 WeakPolarHBondContact O-CB 3.35Å; R894-D898 PolarHBondContact O-N 3.19Å
895I83.5Confident79Confident125 Ų12577.2 Ų77.264%0.64138%0.38SS*.Hα-helixtrans-63.7-42.2178.1-59.8165.7000111.7H893 F897 N899H893-I895 VanDerWaalsContact C-N 3.25Å; H893-I895 PolarHBondContact O-N 3.19Å; I895-F897 VanDerWaalsContact C-N 3.32Å; I895-F897 PolarHBondContact O-N 2.86Å; I895-N899 WeakPolarHBondContact O-CB 3.39Å; I895-N899 VanDerWaalsContact O-CG 3.28Å; I895-N899 PolarHBondContact O-N 3.12Å; I895-N899 VanDerWaalsContact O-N 3.16Å; I895-N899 PolarHBondContact O-ND2 2.66Å
896C84Confident78.7Confident25 Ų2578.9 Ų78.917%0.16939%0.388CS..Hα-helixtrans-67.1-36.9179.1-69.50000111.6L874 H893 R894 Y900L874-C896 HydrophobicContact CB-CB 4.31Å; L874-C896 HydrophobicContact CD1-CB 4.15Å; L874-C896 VanDerWaalsContact CD1-O 3.29Å; L874-C896 WeakPolarHBondContact CD1-O 3.31Å; H893-C896 HydrophobicContact CB-CB 4.03Å; H893-C896 PolarHBondContact O-N 3.02Å; R894-C896 PolarHBondContact O-N 2.94Å; C896-Y900 PolarHBondContact O-N 2.79Å
897F83.2Confident78.8Confident6 Ų677.9 Ų77.93%0.02638%0.384CS..Hα-helixtrans-65.9-52.6174.3176.7-102.6000111.2I884 F886 H893 R894 I895 N899 Y900 A901 Q906 P908I884-F897 HydrophobicContact CD1-CB 3.97Å; I884-F897 HydrophobicContact CD1-CD1 3.35Å; I884-F897 HydrophobicContact CD1-CE1 4.05Å; I884-F897 HydrophobicContact CD1-CG 3.8Å; F886-F897 AromaticContact CE2-CD2 3.87Å; F886-F897 HydrophobicContact CE2-CD2 3.87Å; F886-F897 AromaticContact CE2-CE2 3.58Å; F886-F897 HydrophobicContact CE2-CE2 3.58Å; F886-F897 HydrophobicContact CE2-CZ 4.39Å; F886-F897 HydrophobicContact CZ-CD2 4.09Å; F886-F897 AromaticContact CZ-CE2 3.32Å; F886-F897 HydrophobicContact CZ-CE2 3.32Å; F886-F897 AromaticContact CZ-CZ 3.79Å; F886-F897 HydrophobicContact CZ-CZ 3.79Å; H893-F897 WeakPolarHBondContact O-CB 3.3Å; H893-F897 PolarHBondContact O-N 3.06Å; R894-F897 PolarHBondContact O-N 3.44Å; I895-F897 VanDerWaalsContact C-N 3.32Å; I895-F897 PolarHBondContact O-N 2.86Å; F897-N899 PolarHBondContact O-N 3.14Å; F897-N899 VanDerWaalsContact O-N 3.12Å; F897-Y900 PolarHBondContact O-N 3.35Å; F897-A901 HydrophobicContact CD1-CB 4.21Å; F897-A901 HydrophobicContact CD2-CB 3.84Å; F897-A901 HydrophobicContact CE1-CB 3.89Å; F897-A901 HydrophobicContact CE2-CB 3.44Å; F897-A901 VanDerWaalsContact CE2-CB 3.44Å; F897-A901 HydrophobicContact CG-CB 4.2Å; F897-A901 HydrophobicContact CZ-CB 3.49Å; F897-A901 VanDerWaalsContact CZ-CB 3.49Å; F897-A901 WeakPolarHBondContact O-CB 3.33Å; F897-A901 PolarHBondContact O-N 3.36Å; F897-Q906 WeakPolarHBondContact CE2-O 3.4Å; F897-P908 HydrophobicContact CD2-CG 4.05Å; F897-P908 HydrophobicContact CE2-CG 4.23Å
898D80.4Confident78.8Confident93 Ų9373.4 Ų73.450%0.49736%0.362SS..Hα-helixtrans-57.8-32.3-177.6-67.6-15.2000111.9R894R894-D898 IonicContact NE-OD2 3.51Å; R894-D898 WeakPolarHBondContact O-CB 3.35Å; R894-D898 PolarHBondContact O-N 3.19Å
899N80.3Confident78.9Confident123 Ų12376.4 Ų76.466%0.65837%0.371SS*.Hα-helixtrans-78.9-24.3178.4-71.2-23.3000114.9I895 F897I895-N899 WeakPolarHBondContact O-CB 3.39Å; I895-N899 VanDerWaalsContact O-CG 3.28Å; I895-N899 PolarHBondContact O-N 3.12Å; I895-N899 VanDerWaalsContact O-N 3.16Å; I895-N899 PolarHBondContact O-ND2 2.66Å; F897-N899 PolarHBondContact O-N 3.14Å; F897-N899 VanDerWaalsContact O-N 3.12Å
900Y74.8Confident79.2Confident156 Ų15675 Ų7561%0.61237%0.365SS*.Hα-helixtrans-121.4-8.2-172.3-83.9-87.5000114.4L874 C896 F897 Y902L874-Y900 HydrophobicContact CD1-CD2 3.97Å; L874-Y900 HydrophobicContact CD1-CG 3.95Å; L874-Y900 HydrophobicContact CD2-CG 4.3Å; C896-Y900 PolarHBondContact O-N 2.79Å; F897-Y900 PolarHBondContact O-N 3.35Å; Y900-Y902 PolarHBondContact O-N 3.16Å
901A67.4Low78.9Confident28 Ų2873.4 Ų73.423%0.23136%0.358CS..  trans-70.6129.518000000111.1F897 G903 P908F897-A901 HydrophobicContact CD1-CB 4.21Å; F897-A901 HydrophobicContact CD2-CB 3.84Å; F897-A901 HydrophobicContact CE1-CB 3.89Å; F897-A901 HydrophobicContact CE2-CB 3.44Å; F897-A901 VanDerWaalsContact CE2-CB 3.44Å; F897-A901 HydrophobicContact CG-CB 4.2Å; F897-A901 HydrophobicContact CZ-CB 3.49Å; F897-A901 VanDerWaalsContact CZ-CB 3.49Å; F897-A901 WeakPolarHBondContact O-CB 3.33Å; F897-A901 PolarHBondContact O-N 3.36Å; A901-G903 PolarHBondContact O-N 3.42Å; A901-P908 HydrophobicContact CB-CG 4.49Å
902Y65.7Low78.5Confident192 Ų19276.9 Ų76.975%0.75338%0.381SS*.SBendtrans-74.8-4.4169.4-68.8-79000112.7Y900Y900-Y902 PolarHBondContact O-N 3.16Å
903G66.8Low78.3Confident25 Ų2583.3 Ų83.326%0.25841%0.411SS..SBendtrans173.3156175.300000111.8A901 Q905 Q906A901-G903 PolarHBondContact O-N 3.42Å; G903-Q905 PolarHBondContact O-N 3.38Å; G903-Q906 PolarHBondContact O-N 3.48Å
904D69.1Low77.9Confident150 Ų15086.5 Ų86.580%0.80243%0.429SS*.THydrogen-bonded Turntrans-59.5-16.6-166.2-62.7-6.8000115.8
905Q73.3Confident77.5Confident179 Ų17987.4 Ų87.484%0.83644%0.437SS*.THydrogen-bonded Turntrans-121.75.6-174.1-62.9-177.3-7.300114.1G903G903-Q905 PolarHBondContact O-N 3.38Å
906Q78Confident77.3Confident102 Ų10289.2 Ų89.248%0.47744%0.44SS..SBendtrans-112.6131-175.2-60.8-175.714.500111.6F886 F897 G903 P908 A911F886-Q906 VanDerWaalsContact CE1-C 3.48Å; F897-Q906 WeakPolarHBondContact CE2-O 3.4Å; G903-Q906 PolarHBondContact O-N 3.48Å; Q906-P908 WeakPolarHBondContact O-CD 3.35Å; Q906-A911 HydrophobicContact CB-CB 4.04Å
907C83.2Confident76.8Confident8 Ų892.4 Ų92.45%0.05446%0.455CS..  trans-62.5122.1171.4174.40000109.4F886 H890 Y892 Q909 C910 A911F886-C907 HydrophobicContact CB-CB 4.12Å; F886-C907 HydrophobicContact CD1-CB 3.84Å; F886-C907 HydrophobicContact CD2-CB 3.91Å; F886-C907 HydrophobicContact CE1-CB 4.25Å; F886-C907 VanDerWaalsContact CE1-N 3.31Å; F886-C907 HydrophobicContact CE2-CB 4.3Å; F886-C907 HydrophobicContact CG-CB 3.66Å; F886-C907 HydrophobicContact CZ-CB 4.47Å; H890-C907 VanDerWaalsContact CB-SG 3.55Å; Y892-C907 PolarHBondContact OH-SG 3.35Å; C907-Q909 PolarHBondContact O-N 2.88Å; C907-Q909 VanDerWaalsContact O-N 3.12Å; C907-C910 HydrophobicContact CB-CB 4.14Å; C907-C910 PolarHBondContact O-N 3.22Å; C907-C910 VanDerWaalsContact O-N 3.08Å; C907-A911 VanDerWaalsContact O-CB 3.3Å; C907-A911 WeakPolarHBondContact O-CB 3.29Å; C907-A911 PolarHBondContact O-N 3.47Å
908P78.6Confident76.2Confident15 Ų1596.9 Ų96.910%0.09748%0.479CS..THydrogen-bonded Turntrans-54.9-35.5-176.7-25.832.5000113.5Y892 F897 A901 Q906 P912Y892-P908 HydrophobicContact CE2-CG 4.49Å; F897-P908 HydrophobicContact CD2-CG 4.05Å; F897-P908 HydrophobicContact CE2-CG 4.23Å; A901-P908 HydrophobicContact CB-CG 4.49Å; Q906-P908 WeakPolarHBondContact O-CD 3.35Å; P908-P912 WeakPolarHBondContact O-CD 3.47Å
909Q80.9Confident75.6Confident116 Ų11694.7 Ų94.754%0.54247%0.474SS..THydrogen-bonded Turntrans-74.3-38179.5-172.371-33.800113.4C907C907-Q909 PolarHBondContact O-N 2.88Å; C907-Q909 VanDerWaalsContact O-N 3.12Å
910C84.1Confident75.1Confident24 Ų2494.8 Ų94.816%0.16247%0.47CS..THydrogen-bonded Turntrans-91.5-23.4-175.1-58.90000113.2C888 C907 Q913 N914C888-C910 VanDerWaalsContact SG-SG 3.65Å; C907-C910 HydrophobicContact CB-CB 4.14Å; C907-C910 PolarHBondContact O-N 3.22Å; C907-C910 VanDerWaalsContact O-N 3.08Å; C910-Q913 PolarHBondContact O-N 2.99Å; C910-N914 PolarHBondContact O-N 3.13Å
911A80.4Confident74.6Confident7 Ų791.4 Ų91.46%0.05846%0.462CS..Hα-helixtrans-50.8-48.9-177.800000114.4Q906 C907 Q913 N914 K915Q906-A911 HydrophobicContact CB-CB 4.04Å; C907-A911 VanDerWaalsContact O-CB 3.3Å; C907-A911 WeakPolarHBondContact O-CB 3.29Å; C907-A911 PolarHBondContact O-N 3.47Å; A911-Q913 PolarHBondContact O-N 3.45Å; A911-N914 PolarHBondContact O-N 3.49Å; A911-K915 WeakPolarHBondContact O-CB 3.38Å; A911-K915 PolarHBondContact O-N 3.17Å
912P78.4Confident74.3Confident74 Ų7495.1 Ų95.148%0.48148%0.478SS..Hα-helixtrans-65.9-37.4-178.121.3-30.4000113.3P908 K916P908-P912 WeakPolarHBondContact O-CD 3.47Å; P912-K916 PolarHBondContact O-N 2.96Å; P912-K916 VanDerWaalsContact O-N 3.16Å
913Q79.6Confident74.1Confident139 Ų13991.9 Ų91.965%0.6547%0.473SS*.Hα-helixtrans-68-45.2175.3-86.4175.1-15.400111.7C910 A911 K915 K916 L917C910-Q913 PolarHBondContact O-N 2.99Å; A911-Q913 PolarHBondContact O-N 3.45Å; Q913-K915 VanDerWaalsContact C-N 3.29Å; Q913-K915 PolarHBondContact O-N 3.46Å; Q913-K916 WeakPolarHBondContact O-CB 3.33Å; Q913-K916 PolarHBondContact O-N 3.06Å; Q913-K916 VanDerWaalsContact O-N 3.17Å; Q913-L917 PolarHBondContact O-N 3.12Å
914N80.6Confident73.6Confident89 Ų8994.4 Ų94.448%0.47648%0.484SS..Hα-helixtrans-63.8-35.5177.2-73.2-10.4000112C910 A911 K916 L917 L918C910-N914 PolarHBondContact O-N 3.13Å; A911-N914 PolarHBondContact O-N 3.49Å; N914-K916 VanDerWaalsContact C-N 3.35Å; N914-L917 PolarHBondContact O-N 3.22Å; N914-L918 WeakPolarHBondContact O-CB 2.79Å; N914-L918 VanDerWaalsContact O-CG 3.28Å; N914-L918 WeakPolarHBondContact O-CG 3.26Å; N914-L918 PolarHBondContact O-N 3.2Å
915K76Confident72.6Confident159 Ų15992.4 Ų92.469%0.69147%0.473SS*.Hα-helixtrans-65.7-37.6175.3-166.7174-177.71770111.9A911 Q913 A919A911-K915 WeakPolarHBondContact O-CB 3.38Å; A911-K915 PolarHBondContact O-N 3.17Å; Q913-K915 VanDerWaalsContact C-N 3.29Å; Q913-K915 PolarHBondContact O-N 3.46Å; K915-A919 WeakPolarHBondContact O-CB 3.45Å; K915-A919 PolarHBondContact O-N 3.37Å
916K77.7Confident71.5Confident164 Ų16487 Ų8771%0.71345%0.453SS*.Hα-helixtrans-63.6-47.3172.3-108.1-174.2176.2-1750112P912 Q913 N914 A919 E920P912-K916 PolarHBondContact O-N 2.96Å; P912-K916 VanDerWaalsContact O-N 3.16Å; Q913-K916 WeakPolarHBondContact O-CB 3.33Å; Q913-K916 PolarHBondContact O-N 3.06Å; Q913-K916 VanDerWaalsContact O-N 3.17Å; N914-K916 VanDerWaalsContact C-N 3.35Å; K916-A919 WeakPolarHBondContact O-CB 3.28Å; K916-A919 PolarHBondContact O-N 3.37Å; K916-E920 PolarHBondContact O-N 3.38Å
917L74.6Confident69.8Low91 Ų9186.8 Ų86.848%0.47645%0.454SS..Hα-helixtrans-62.5-43.3176.7-83.9157.4000112.3Q913 N914 A919 E920 I921Q913-L917 PolarHBondContact O-N 3.12Å; N914-L917 PolarHBondContact O-N 3.22Å; L917-A919 VanDerWaalsContact C-N 3.28Å; L917-A919 PolarHBondContact O-N 3.33Å; L917-E920 WeakPolarHBondContact O-CB 3.35Å; L917-E920 PolarHBondContact O-N 3.3Å; L917-I921 VanDerWaalsContact O-CG1 3.31Å; L917-I921 WeakPolarHBondContact O-CG1 3.47Å; L917-I921 PolarHBondContact O-N 3.31Å
918L69.6Low67.7Low101 Ų10192.4 Ų92.453%0.52948%0.483SS..Hα-helixtrans-63.8-34.7175.3-75.7166.3000112N914 I921 N922N914-L918 WeakPolarHBondContact O-CB 2.79Å; N914-L918 VanDerWaalsContact O-CG 3.28Å; N914-L918 WeakPolarHBondContact O-CG 3.26Å; N914-L918 PolarHBondContact O-N 3.2Å; L918-I921 PolarHBondContact O-N 3.31Å; L918-N922 WeakPolarHBondContact O-CB 3.34Å; L918-N922 PolarHBondContact O-N 3.48Å; L918-N922 PolarHBondContact O-ND2 3.02Å
919A68.2Low65.7Low47 Ų4799.4 Ų99.439%0.38851%0.512SS..Hα-helixtrans-67.1-40.6172.500000111.7K915 K916 L917 N922 N923K915-A919 WeakPolarHBondContact O-CB 3.45Å; K915-A919 PolarHBondContact O-N 3.37Å; K916-A919 WeakPolarHBondContact O-CB 3.28Å; K916-A919 PolarHBondContact O-N 3.37Å; L917-A919 VanDerWaalsContact C-N 3.28Å; L917-A919 PolarHBondContact O-N 3.33Å; A919-N922 PolarHBondContact O-N 2.99Å; A919-N923 VanDerWaalsContact O-CB 3.29Å; A919-N923 WeakPolarHBondContact O-CB 3.46Å; A919-N923 VanDerWaalsContact O-CG 3.25Å; A919-N923 PolarHBondContact O-N 2.91Å
920E69.3Low63.7Low125 Ų12596.9 Ų96.958%0.58451%0.507SS*.Hα-helixtrans-63.1-40.8172.4-82.3176.8172.100112.3K916 L917 N923 T924K916-E920 PolarHBondContact O-N 3.38Å; L917-E920 WeakPolarHBondContact O-CB 3.35Å; L917-E920 PolarHBondContact O-N 3.3Å; E920-N923 PolarHBondContact O-N 3.1Å; E920-T924 WeakPolarHBondContact O-CB 3.41Å; E920-T924 PolarHBondContact O-N 2.86Å; E920-T924 PolarHBondContact O-OG1 2.86Å
921I64.1Low61.3Low85 Ų85101.7 Ų101.744%0.43653%0.531SS..Hα-helixtrans-63-48.3174.7-67.8165.4000110.5L917 L918 N923 T924 L925L917-I921 VanDerWaalsContact O-CG1 3.31Å; L917-I921 WeakPolarHBondContact O-CG1 3.47Å; L917-I921 PolarHBondContact O-N 3.31Å; L918-I921 PolarHBondContact O-N 3.31Å; I921-N923 PolarHBondContact O-N 3.48Å; I921-T924 WeakPolarHBondContact CA-OG1 3.28Å; I921-T924 PolarHBondContact O-N 3.34Å; I921-T924 VanDerWaalsContact O-N 3.11Å; I921-T924 PolarHBondContact O-OG1 3.39Å; I921-T924 VanDerWaalsContact O-OG1 3.05Å; I921-L925 HydrophobicContact CG2-CD1 3.66Å; I921-L925 WeakPolarHBondContact O-CD1 3.47Å; I921-L925 PolarHBondContact O-N 3.23Å
922N63.1Low58.9Low106 Ų106105.4 Ų105.457%0.56756%0.557SS**Hα-helixtrans-65.6-27.2178-76.8-20000112.8L918 A919 P926L918-N922 WeakPolarHBondContact O-CB 3.34Å; L918-N922 PolarHBondContact O-N 3.48Å; L918-N922 PolarHBondContact O-ND2 3.02Å; A919-N922 PolarHBondContact O-N 2.99Å; N922-P926 VanDerWaalsContact O-CD 3.26Å; N922-P926 WeakPolarHBondContact O-CD 3.46Å
923N61Low56.8Low123 Ų123109.1 Ų109.166%0.65857%0.568SS**Hα-helixtrans-82.2-20.1173.5-76.8-7.2000113.5A919 E920 I921 P926A919-N923 VanDerWaalsContact O-CB 3.29Å; A919-N923 WeakPolarHBondContact O-CB 3.46Å; A919-N923 VanDerWaalsContact O-CG 3.25Å; A919-N923 PolarHBondContact O-N 2.91Å; E920-N923 PolarHBondContact O-N 3.1Å; I921-N923 PolarHBondContact O-N 3.48Å; N923-P926 WeakPolarHBondContact O-CD 3.46Å
924T55.6Low54.5Low78 Ų78109.4 Ų109.448%0.47957%0.574SS.*Hα-helixtrans-91.8-24.7175.139.70000112.8E920 I921 I927E920-T924 WeakPolarHBondContact O-CB 3.41Å; E920-T924 PolarHBondContact O-N 2.86Å; E920-T924 PolarHBondContact O-OG1 2.86Å; I921-T924 WeakPolarHBondContact CA-OG1 3.28Å; I921-T924 PolarHBondContact O-N 3.34Å; I921-T924 VanDerWaalsContact O-N 3.11Å; I921-T924 PolarHBondContact O-OG1 3.39Å; I921-T924 VanDerWaalsContact O-OG1 3.05Å; T924-I927 HydrophobicContact CG2-CD1 4.21Å; T924-I927 VanDerWaalsContact O-CB 3.3Å; T924-I927 WeakPolarHBondContact O-CB 3.44Å; T924-I927 PolarHBondContact O-N 3.07Å
925L48.7Very low52.1Low109 Ų109111 Ų11157%0.57159%0.587SS**Hα-helixtrans-56.2-32.9172.1-105.6105.6000115.9I921 I927 N928I921-L925 HydrophobicContact CG2-CD1 3.66Å; I921-L925 WeakPolarHBondContact O-CD1 3.47Å; I921-L925 PolarHBondContact O-N 3.23Å; L925-I927 PolarHBondContact O-N 3.44Å; L925-N928 PolarHBondContact O-N 3.4Å
926P48.8Very low50.1Low66 Ų66112.4 Ų112.443%0.42959%0.593SS.*Hα-helixtrans-63.6-29.1173.6-16.129.7000111.9N922 N923 N928 K929 S930N922-P926 VanDerWaalsContact O-CD 3.26Å; N922-P926 WeakPolarHBondContact O-CD 3.46Å; N923-P926 WeakPolarHBondContact O-CD 3.46Å; P926-N928 PolarHBondContact O-N 3.46Å; P926-K929 WeakPolarHBondContact O-CA 3.49Å; P926-K929 WeakPolarHBondContact O-CB 3.31Å; P926-K929 PolarHBondContact O-N 3.25Å; P926-S930 PolarHBondContact O-N 2.92Å; P926-S930 PolarHBondContact O-OG 2.92Å
927I43.8Very low47.9Very low97 Ų97112 Ų11250%0.49759%0.593SS.*Hα-helixtrans-65.6-29.5-178.7-53.3177000110.6T924 L925 S930 L931T924-I927 HydrophobicContact CG2-CD1 4.21Å; T924-I927 VanDerWaalsContact O-CB 3.3Å; T924-I927 WeakPolarHBondContact O-CB 3.44Å; T924-I927 PolarHBondContact O-N 3.07Å; L925-I927 PolarHBondContact O-N 3.44Å; I927-S930 PolarHBondContact O-N 3.02Å; I927-L931 PolarHBondContact O-N 3.37Å
928N38.5Very low45.9Very low125 Ų125110.1 Ų110.167%0.66859%0.588SS**Hα-helixtrans-77.5-19171.8-86.3-18.4000114.1L925 P926L925-N928 PolarHBondContact O-N 3.4Å; P926-N928 PolarHBondContact O-N 3.46Å
929K37.9Very low44.2Very low162 Ų162110.3 Ų110.370%0.70460%0.595SS**Hα-helixtrans-78-34.9166.2-85.4-173.3172.9-176.20111.7P926 L931 S932 E933P926-K929 WeakPolarHBondContact O-CA 3.49Å; P926-K929 WeakPolarHBondContact O-CB 3.31Å; P926-K929 PolarHBondContact O-N 3.25Å; K929-L931 VanDerWaalsContact C-N 3.32Å; K929-L931 PolarHBondContact O-N 3.23Å; K929-S932 PolarHBondContact O-N 3.21Å; K929-S932 VanDerWaalsContact O-N 3.1Å; K929-S932 PolarHBondContact O-OG 3.43Å; K929-E933 PolarHBondContact O-N 3.4Å
930S37.5Very low42.7Very low63 Ų63112.9 Ų112.944%0.44160%0.602SS.*Hα-helixtrans-64.7-33.6178.1-44.80000113.2P926 I927 S932 E933P926-S930 PolarHBondContact O-N 2.92Å; P926-S930 PolarHBondContact O-OG 2.92Å; I927-S930 PolarHBondContact O-N 3.02Å; S930-S932 VanDerWaalsContact C-N 3.28Å; S930-S932 PolarHBondContact O-N 3.48Å; S930-E933 PolarHBondContact O-N 3.23Å
931L33.9Very low41.1Very low125 Ų125112.6 Ų112.665%0.65460%0.601SS**Hα-helixtrans-73.4-18.6175.2-73.2171.3000113.4I927 K929I927-L931 PolarHBondContact O-N 3.37Å; K929-L931 VanDerWaalsContact C-N 3.32Å; K929-L931 PolarHBondContact O-N 3.23Å
932S30.8Very low40Very low86 Ų86113.2 Ų113.260%0.60160%0.604SS**Hα-helixtrans-85.6-11.4174.661.10000114.7K929 S930K929-S932 PolarHBondContact O-N 3.21Å; K929-S932 VanDerWaalsContact O-N 3.1Å; K929-S932 PolarHBondContact O-OG 3.43Å; S930-S932 VanDerWaalsContact C-N 3.28Å; S930-S932 PolarHBondContact O-N 3.48Å
933E32.9Very low38.8Very low151 Ų151110.7 Ų110.771%0.70659%0.591SS**Hα-helixtrans-103.2-18.1178.5-76.4-177.1159.800114.1K929 S930 V935K929-E933 PolarHBondContact O-N 3.4Å; S930-E933 PolarHBondContact O-N 3.23Å; E933-V935 VanDerWaalsContact C-N 3.35Å; E933-V935 PolarHBondContact O-N 2.81Å
934N31.8Very low38Very low145 Ų145109.7 Ų109.778%0.77558%0.584SS**THydrogen-bonded Turntrans-87.718.3-177.4-82.1-5000116
935V30.8Very low37.1Very low124 Ų124112.3 Ų112.375%0.75259%0.591SS**THydrogen-bonded Turntrans-118.619.4177.2-166.30000112.8E933E933-V935 VanDerWaalsContact C-N 3.35Å; E933-V935 PolarHBondContact O-N 2.81Å
936K32.8Very low36.6Very low188 Ų188111 Ų11182%0.81758%0.584SS**  trans-94.3-6.2178.4-84.2-172.4177.7178.80116.4S938K936-S938 PolarHBondContact O-N 3.2Å
937E32.3Very low36.2Very low154 Ų154114.6 Ų114.672%0.7259%0.593SS**SBendtrans-87.994.1165.2-71.8-177.3177.900107.4
938S33.1Very low36Very low52 Ų52113.9 Ų113.936%0.36459%0.594SS.*  trans-56.8134.6172.654.70000108K936 D940 Q941K936-S938 PolarHBondContact O-N 3.2Å; S938-D940 PolarHBondContact O-N 3Å; S938-Q941 PolarHBondContact O-N 3.06Å
939P34Very low35.9Very low105 Ų105111 Ų11168%0.68259%0.586SS**Hα-helixtrans-50.1-26.8172.3-26.333.2000112.4Q941 L943P939-Q941 VanDerWaalsContact C-N 3.31Å; P939-Q941 PolarHBondContact O-N 3.28Å; P939-L943 WeakPolarHBondContact O-CB 3.34Å; P939-L943 PolarHBondContact O-N 3.32Å
940D35.3Very low36.1Very low102 Ų102105 Ų10555%0.54556%0.562SS.*Hα-helixtrans-60.6-32.9174.5-62.4-34.9000113.5S938 L943 I944S938-D940 PolarHBondContact O-N 3Å; D940-L943 PolarHBondContact O-N 3.32Å; D940-I944 WeakPolarHBondContact O-CB 3.37Å; D940-I944 WeakPolarHBondContact O-CD1 3.46Å; D940-I944 WeakPolarHBondContact O-CG1 3.34Å; D940-I944 PolarHBondContact O-N 3.15Å
941Q37.1Very low36.2Very low119 Ų119107.8 Ų107.856%0.55657%0.568SS**Hα-helixtrans-76.4-38.6-176.4-144.1177.512.700112.4S938 P939 I944 Q945S938-Q941 PolarHBondContact O-N 3.06Å; P939-Q941 VanDerWaalsContact C-N 3.31Å; P939-Q941 PolarHBondContact O-N 3.28Å; Q941-I944 PolarHBondContact O-N 3.41Å; Q941-Q945 PolarHBondContact O-N 3.44Å
942L40Very low36.3Very low97 Ų97107.3 Ų107.351%0.50857%0.566SS.*Hα-helixtrans-65.7-39.9169.1-80.5166.9000111.1Q945 L946L942-Q945 PolarHBondContact O-N 2.99Å; L942-L946 WeakPolarHBondContact O-CB 3.39Å; L942-L946 WeakPolarHBondContact O-CG 3.46Å; L942-L946 PolarHBondContact O-N 3.33Å
943L39.3Very low36.4Very low54 Ų54105.7 Ų105.728%0.28356%0.557SS.*Hα-helixtrans-66-37175.8-169.969.3000112P939 D940 K947P939-L943 WeakPolarHBondContact O-CB 3.34Å; P939-L943 PolarHBondContact O-N 3.32Å; D940-L943 PolarHBondContact O-N 3.32Å; L943-K947 VanDerWaalsContact O-CB 3.28Å; L943-K947 WeakPolarHBondContact O-CB 3.5Å; L943-K947 PolarHBondContact O-N 2.99Å
944I43Very low36.5Very low101 Ų101102.7 Ų102.752%0.51854%0.542SS..Hα-helixtrans-65.3-48.1173.4-72.9160.4000109.7D940 Q941 L946 K947 T948D940-I944 WeakPolarHBondContact O-CB 3.37Å; D940-I944 WeakPolarHBondContact O-CD1 3.46Å; D940-I944 WeakPolarHBondContact O-CG1 3.34Å; D940-I944 PolarHBondContact O-N 3.15Å; Q941-I944 PolarHBondContact O-N 3.41Å; I944-L946 VanDerWaalsContact C-N 3.32Å; I944-L946 PolarHBondContact O-N 3.25Å; I944-K947 PolarHBondContact O-N 3.24Å; I944-T948 WeakPolarHBondContact O-CB 3.36Å; I944-T948 PolarHBondContact O-N 3.47Å; I944-T948 PolarHBondContact O-OG1 3.34Å
945Q37.3Very low36.5Very low134 Ų134102.1 Ų102.163%0.62654%0.535SS*.Hα-helixtrans-59.8-41.4176.4-93.6-178.6-29.700112.5Q941 L942 T948 A949Q941-Q945 PolarHBondContact O-N 3.44Å; L942-Q945 PolarHBondContact O-N 2.99Å; Q945-T948 PolarHBondContact O-N 3.49Å; Q945-A949 WeakPolarHBondContact O-CB 3.15Å; Q945-A949 PolarHBondContact O-N 3.42Å
946L38.3Very low36.5Very low80 Ų80102 Ų10242%0.41953%0.528SS..Hα-helixtrans-67.2-42.4175.3-74.4169.6000111.9V802 L942 I944 A949 L950V802-L946 HydrophobicContact CG1-CD1 4.19Å; V802-L946 HydrophobicContact CG2-CD1 4.03Å; L942-L946 WeakPolarHBondContact O-CB 3.39Å; L942-L946 WeakPolarHBondContact O-CG 3.46Å; L942-L946 PolarHBondContact O-N 3.33Å; I944-L946 VanDerWaalsContact C-N 3.32Å; I944-L946 PolarHBondContact O-N 3.25Å; L946-A949 PolarHBondContact O-N 3.46Å; L946-L950 VanDerWaalsContact O-CB 3.29Å; L946-L950 WeakPolarHBondContact O-CB 3.33Å; L946-L950 PolarHBondContact O-N 3.12Å
947K40.7Very low36.2Very low143 Ų14399.5 Ų99.562%0.62252%0.524SS*.Hα-helixtrans-63.2-40.4173.6-92.5-176.5172.61790112L943 I944 L950 H951L943-K947 VanDerWaalsContact O-CB 3.28Å; L943-K947 WeakPolarHBondContact O-CB 3.5Å; L943-K947 PolarHBondContact O-N 2.99Å; I944-K947 PolarHBondContact O-N 3.24Å; K947-L950 PolarHBondContact O-N 3.35Å; K947-H951 VanDerWaalsContact O-CB 3.26Å; K947-H951 WeakPolarHBondContact O-CB 3.28Å; K947-H951 PolarHBondContact O-N 3.41Å
948T39.1Very low35.9Very low82 Ų8299.2 Ų99.250%0.50353%0.527SS..Hα-helixtrans-65.6-43.1176.1-52.60000110.6I944 Q945 L950 H951 L952I944-T948 WeakPolarHBondContact O-CB 3.36Å; I944-T948 PolarHBondContact O-N 3.47Å; I944-T948 PolarHBondContact O-OG1 3.34Å; Q945-T948 PolarHBondContact O-N 3.49Å; T948-L950 VanDerWaalsContact C-N 3.34Å; T948-L950 PolarHBondContact O-N 2.69Å; T948-H951 PolarHBondContact O-N 2.95Å; T948-L952 PolarHBondContact O-N 3.08Å
949A37.2Very low35.5Very low63 Ų63101.5 Ų101.552%0.52154%0.543SS..Hα-helixtrans-63.5-38.617500000112.4Q945 L946 A953Q945-A949 WeakPolarHBondContact O-CB 3.15Å; Q945-A949 PolarHBondContact O-N 3.42Å; L946-A949 PolarHBondContact O-N 3.46Å; A949-A953 PolarHBondContact O-N 3.16Å
950L40.6Very low35Very low36 Ų36105.6 Ų105.619%0.18855%0.55CS..Hα-helixtrans-71.8-38.4176.6-166.180.7000112.2L806 D809 L946 K947 T948 A953 K954L806-L950 HydrophobicContact CD2-CD1 4.37Å; D809-L950 HydrophobicContact CB-CD2 4.35Å; D809-L950 VanDerWaalsContact CG-CD2 3.47Å; D809-L950 WeakPolarHBondContact OD2-CD2 3.46Å; L946-L950 VanDerWaalsContact O-CB 3.29Å; L946-L950 WeakPolarHBondContact O-CB 3.33Å; L946-L950 PolarHBondContact O-N 3.12Å; K947-L950 PolarHBondContact O-N 3.35Å; T948-L950 VanDerWaalsContact C-N 3.34Å; T948-L950 PolarHBondContact O-N 2.69Å; L950-A953 WeakPolarHBondContact O-CB 3.33Å; L950-A953 PolarHBondContact O-N 3.06Å; L950-A953 VanDerWaalsContact O-N 3.15Å; L950-K954 PolarHBondContact O-N 3.31Å
951H39.8Very low34.5Very low122 Ų122109.6 Ų109.657%0.56557%0.565SS**Hα-helixtrans-66.7-39.6177.3-157.555.6000111K947 T948 A953 K954 E955K947-H951 VanDerWaalsContact O-CB 3.26Å; K947-H951 WeakPolarHBondContact O-CB 3.28Å; K947-H951 PolarHBondContact O-N 3.41Å; T948-H951 PolarHBondContact O-N 2.95Å; H951-A953 VanDerWaalsContact C-N 3.25Å; H951-A953 PolarHBondContact O-N 3.35Å; H951-K954 PolarHBondContact O-N 3.14Å; H951-E955 PolarHBondContact O-N 3.49Å
952L36.2Very low33.7Very low116 Ų116111.1 Ų111.161%0.60758%0.577SS**Hα-helixtrans-61.2-34.7171.7-133.894.9000112.1T948T948-L952 PolarHBondContact O-N 3.08Å
953A33.4Very low33Very low52 Ų52112.1 Ų112.143%0.4359%0.589SS.*Hα-helixtrans-74-36.2175.400000112.7A949 L950 H951 I956A949-A953 PolarHBondContact O-N 3.16Å; L950-A953 WeakPolarHBondContact O-CB 3.33Å; L950-A953 PolarHBondContact O-N 3.06Å; L950-A953 VanDerWaalsContact O-N 3.15Å; H951-A953 VanDerWaalsContact C-N 3.25Å; H951-A953 PolarHBondContact O-N 3.35Å; A953-I956 PolarHBondContact O-N 3.05Å
954K34Very low32.2Very low88 Ų88118.1 Ų118.138%0.38362%0.615SS.*Hα-helixtrans-70.5-34.9176-84.2-178.2172.7175.20112.2D809 L950 H951 I956 N957 L958D809-K954 PolarHBondContact O-NZ 3.16Å; D809-K954 IonicContact OD1-NZ 3.85Å; D809-K954 PolarHBondContact OD1-NZ 3.22Å; L950-K954 PolarHBondContact O-N 3.31Å; H951-K954 PolarHBondContact O-N 3.14Å; K954-I956 PolarHBondContact O-N 3.35Å; K954-N957 PolarHBondContact O-N 3Å; K954-N957 VanDerWaalsContact O-N 3.16Å; K954-L958 PolarHBondContact O-N 3.38Å
955E32Very low31.2Very low133 Ų133119.6 Ų119.662%0.62162%0.624SS**Hα-helixtrans-64-24.1175.6-80.1-170.1157.800113.6H951H951-E955 PolarHBondContact O-N 3.49Å
956I31.4Very low30.5Very low120 Ų120120.5 Ų120.562%0.61563%0.633SS**Hα-helixtrans-79.7-31.1175.8-63.2173.4000111.5A953 K954 S959A953-I956 PolarHBondContact O-N 3.05Å; K954-I956 PolarHBondContact O-N 3.35Å; I956-S959 PolarHBondContact O-OG 3.04Å
957N26.9Very low29.8Very low137 Ų137123.2 Ų123.273%0.73365%0.647SS**Hα-helixtrans-80.4-12.7-178.8-88.3-25000114.9K954 S959K954-N957 PolarHBondContact O-N 3Å; K954-N957 VanDerWaalsContact O-N 3.16Å; N957-S959 PolarHBondContact O-N 3.25Å
958L25Very low29Very low147 Ų147121.2 Ų121.277%0.7765%0.648SS**THydrogen-bonded Turntrans-77.7-0.4174-104.488000114.4K954 K960K954-L958 PolarHBondContact O-N 3.38Å; L958-K960 PolarHBondContact O-N 3.07Å
959S24.4Very low28.2Very low101 Ų101124 Ų12471%0.70667%0.665SS**THydrogen-bonded Turntrans-82.740.117857.50000113.9I956 N957I956-S959 PolarHBondContact O-OG 3.04Å; N957-S959 PolarHBondContact O-N 3.25Å
960K24.8Very low27.5Very low190 Ų190126.6 Ų126.683%0.82668%0.675SS**THydrogen-bonded Turntrans-1212.9174.5-92.6-172.3179.5178.20115.8L958 L962L958-K960 PolarHBondContact O-N 3.07Å; K960-L962 PolarHBondContact O-N 3.22Å
961E23.3Very low26.7Very low186 Ų186131.6 Ų131.687%0.86971%0.707SS**  trans-80.493.7168.5-68.2-158.8163.400110.5P963E961-P963 WeakPolarHBondContact O-CD 3.32Å
962L22.1Very low25.8Very low152 Ų152134.1 Ų134.180%0.79672%0.724SS**  trans-48.6118.6161.6-123.578.9000108.3K960 H964K960-L962 PolarHBondContact O-N 3.22Å; L962-H964 PolarHBondContact O-N 3.26Å
963P24.5Very low25.2Very low117 Ų117132.6 Ų132.676%0.7673%0.728SS**  trans-70.1109.2177.527.2-29.5000107.6E961 N965E961-P963 WeakPolarHBondContact O-CD 3.32Å; P963-N965 PolarHBondContact O-N 3.4Å
964H22.1Very low24.7Very low180 Ų180135.7 Ų135.783%0.83374%0.742SS**  trans-57113.7168.5-91.7-71000109L962 N966L962-H964 PolarHBondContact O-N 3.26Å; H964-N966 PolarHBondContact O-N 3.18Å
965N22.4Very low24.3Very low133 Ų133139.1 Ų139.171%0.71176%0.764SS**  trans-4198.6166.4-80.2-31.1000111.5P963P963-N965 PolarHBondContact O-N 3.4Å
966N23Very low23.7Very low152 Ų152142.6 Ų142.681%0.81378%0.778SS**  trans-125.868.2155.9-81.9-30.7000107H964 P968H964-N966 PolarHBondContact O-N 3.18Å; N966-P968 VanDerWaalsContact O-CD 3.26Å; N966-P968 WeakPolarHBondContact O-CD 3.46Å
967I24Very low23.4Very low138 Ų138143.7 Ų143.771%0.70879%0.785SS**  trans-69.7115.8169.5-61.9170.2000106.3T969I967-T969 PolarHBondContact O-N 3.26Å
968P23.7Very low23.2Very low101 Ų101141.5 Ų141.566%0.65678%0.78SS**  trans-69.8115.4171.4-7.524.8000107.3N966 T970N966-P968 VanDerWaalsContact O-CD 3.26Å; N966-P968 WeakPolarHBondContact O-CD 3.46Å; P968-T970 PolarHBondContact O-N 3.32Å; P968-T970 PolarHBondContact O-OG1 2.75Å
969T21Very low23Very low140 Ų140139.8 Ų139.886%0.85978%0.781SS**  trans-46.795.4167.443.10000110.6I967I967-T969 PolarHBondContact O-N 3.26Å
970T23.7Very low23Very low118 Ų118139.7 Ų139.772%0.72478%0.78SS**  trans-12095.6163.421.20000107.4P968 L972P968-T970 PolarHBondContact O-N 3.32Å; P968-T970 PolarHBondContact O-OG1 2.75Å; T970-L972 PolarHBondContact O-N 3.01Å; T970-L972 VanDerWaalsContact O-N 3.15Å
971T22.6Very low23Very low141 Ų141136.7 Ų136.787%0.86578%0.777SS**  trans-21.7102.3161.446.90000114.1
972L21.4Very low23Very low174 Ų174137.8 Ų137.891%0.91178%0.782SS**  trans-94.8103.7160.2-94.7151.3000107.7T970T970-L972 PolarHBondContact O-N 3.01Å; T970-L972 VanDerWaalsContact O-N 3.15Å
973A24.5Very low23.2Very low85 Ų85135.3 Ų135.370%0.70278%0.778SS**  trans-68.912716300000108.7
974T21.6Very low23.5Very low117 Ų117134.8 Ų134.872%0.71877%0.774SS**  trans12.2114.9142.854.60000116.9
975D25.5Very low23.8Very low159 Ų159133.2 Ų133.285%0.8577%0.771SS**  -162.396.5128.6-91.1-24.2000109.5N977D975-N977 PolarHBondContact O-N 3.24Å
976F20.3Very low24Very low206 Ų206134 Ų13490%0.90478%0.775SS**  trans-77.4104.6168.1-86.4-93000108.2
977N24.5Very low24.1Very low143 Ų143131.7 Ų131.777%0.76577%0.771SS**  trans-134.7103.7161-95.1-28.1000110.7D975D975-N977 PolarHBondContact O-N 3.24Å
978S21.9Very low24.3Very low92 Ų92132.8 Ų132.864%0.64377%0.77SS**  trans34.9129.3132.162.20000120.5
979S21.5Very low24.5Very low111 Ų111131.3 Ų131.378%0.77677%0.766SS**  trans72126.6149.778.80000114.6
980S23.9Very low24.7Very low98 Ų98131.7 Ų131.769%0.68576%0.762SS**  172153.255.844.70000108.6
981T25.2Very low24.8Very low127 Ų127130.4 Ų130.478%0.77976%0.758SS**  trans63.786.3153.958.20000119.1S983T981-S983 PolarHBondContact O-N 2.96Å
982H23.4Very low24.9Very low209 Ų209129.8 Ų129.897%0.96875%0.749SS**  trans-66.5111.8151.4-93.8-93.2000110.1
983S27Very low25.3Very low100 Ų100127.6 Ų127.670%0.69974%0.743SS**  trans-146.5150.8156.169.10000109.6T981T981-S983 PolarHBondContact O-N 2.96Å
984P30.5Very low25.2Very low107 Ų107131.5 Ų131.570%0.69575%0.751SS**  trans-93.5121.3-135.532.9-32.6000113.7L986P984-L986 PolarHBondContact O-N 3.12Å; P984-L986 VanDerWaalsContact O-N 3.17Å
985L28.1Very low25.4Very low147 Ų147129.6 Ų129.677%0.7775%0.748SS**G310 helixtrans-76.417.3172.3-81.8163.6000114.3
986L26.5Very low25.3Very low150 Ų150130.7 Ų130.779%0.78575%0.748SS**G310 helixtrans-80.9-19.6-175.5-151.476.2000113.6P984P984-L986 PolarHBondContact O-N 3.12Å; P984-L986 VanDerWaalsContact O-N 3.17Å
987S26.2Very low25.5Very low103 Ų103126.5 Ų126.572%0.7274%0.744SS**G310 helixtrans-84.9-9.2178.461.80000114.3
988K27.1Very low25.4Very low161 Ų161125.5 Ų125.570%0.775%0.748SS**SBendtrans-100.6-11-176.8-135.2171.7-174.1175.90114.6
989A28Very low25.5Very low69 Ų69124.5 Ų124.557%0.5775%0.752SS**SBendtrans-83.2-21177.800000113.5
990L24.8Very low25.5Very low149 Ų149127.4 Ų127.478%0.7876%0.758SS**SBendtrans-88.4-10.9-177.4-89.4164.1000115.1
991S25.8Very low25.4Very low91 Ų91130.2 Ų130.264%0.63676%0.764SS**SBendtrans-96-10.3178.3-57.50000114.4
992N26Very low25.2Very low127 Ų127130.5 Ų130.568%0.67977%0.766SS**SBendtrans-96-4-177.4-89.65.4000115.2
993V28.2Very low25.1Very low128 Ų128127.7 Ų127.778%0.77676%0.758SS**SBendtrans-93.3-14.1-178.6-178.30000112.9
994L24.1Very low24.8Very low167 Ų167131.8 Ų131.887%0.87477%0.766SS**SBendtrans-101.98.4-177.9-91.1158.6000115.3
995A24.9Very low24.4Very low78 Ų78132.1 Ų132.165%0.64577%0.771SS**SBendtrans-131.514-173.300000116.2
996Q23.8Very low24Very low182 Ų182134.1 Ų134.185%0.8577%0.774SS**SBendtrans-131.264.5176.1-71.3-170-4.500112.5
997S24.5Very low23.8Very low117 Ų117132.6 Ų132.682%0.81878%0.775SS**SBendtrans-15656.3163.465.30000111.6
998S23Very low23.6Very low123 Ų123135.5 Ų135.586%0.8678%0.781SS**SBendtrans-155.483167.653.90000109.3
999G22.6Very low23.3Very low70 Ų70131.1 Ų131.172%0.72278%0.782SS**  trans156.772.4173.200000114.8
1000L23Very low23Very low173 Ų173133.9 Ų133.991%0.90680%0.797SS**  trans-152.591.7147.2-116.1140.6000109.5
1001L20.4Very low22.9Very low156 Ų156135.1 Ų135.182%0.81780%0.799SS**  trans-56140.1155.3-70.2155.2000108.4
1002T22.1Very low22.6Very low133 Ų133137.7 Ų137.782%0.81681%0.805SS**  176.3133.9110.539.70000111
1003N20.5Very low22.4Very low151 Ų151138.4 Ų138.481%0.80781%0.808SS**  trans-61.4135.8175.5-64.3-47.2000112.1
1004Q21.7Very low22.1Very low185 Ų185141.8 Ų141.886%0.86481%0.813SS**  trans-138.283144.2-73.4-160.45.500109.8
1005S21Very low22Very low114 Ų114140.5 Ų140.580%0.79781%0.807SS**  trans-76.4110.6161.950.80000109.1
1006K20.9Very low21.9Very low190 Ų190144.7 Ų144.783%0.82682%0.816SS**  trans-107.6107.3161.6-91.7-177.6176.9175.20108.9
1007S21.5Very low21.8Very low117 Ų117143.1 Ų143.182%0.81881%0.814SS**  trans-71.3124.8169.154.30000110.6
1008I21.7Very low21.7Very low165 Ų165144.9 Ų144.985%0.84681%0.809SS**  trans-134.5112160.7-68.9178.1000108.6
1009G21.8Very low21.7Very low69 Ų69145 Ų14571%0.71180%0.8SS**  trans68.387.4131.200000118.8
1010S20.6Very low21.7Very low127 Ų127149.6 Ų149.689%0.88881%0.808SS**  trans-65.3123.1155.1-35.20000110.1
1011Q22.7Very low21.7Very low175 Ų175147.3 Ų147.382%0.81880%0.801SS**  trans-138.9113.5158.6-75.2-147.74.600112.1
1012N20.6Very low21.8Very low144 Ų144147.5 Ų147.577%0.7780%0.802SS**  trans57.894.3144.1-69.4-35.1000120.1
1013L20.3Very low21.8Very low142 Ų142145.3 Ų145.374%0.74379%0.792SS**  trans-45.1131.6139.1-105.167.9000111.5D1015L1013-D1015 WeakPolarHBondContact CD2-OD2 3.32Å
1014K22.2Very low21.9Very low200 Ų200144.3 Ų144.387%0.8779%0.791SS**  trans-125.692.3152-95.4-176.5175.2178.30107.2
1015D21.9Very low22Very low139 Ų139140.7 Ų140.774%0.74378%0.778SS**  trans-74.3127.2166.6-69.7-38.9000108.9L1013L1013-D1015 WeakPolarHBondContact CD2-OD2 3.32Å
1016I22.6Very low22Very low166 Ų166142.5 Ų142.585%0.85177%0.771SS**  trans-109.3120.5167.7-67.4177000107.4
1017N21.8Very low22.1Very low149 Ų149140.8 Ų140.880%0.79777%0.766SS**  trans-58.1127.8179.7-101.4-30.1000113.2
1018H22Very low22.2Very low154 Ų154140 Ų14071%0.71376%0.761SS**  29.3136.8111.5-97.8-73.7000121.5
1019D23.2Very low22.4Very low126 Ų126140.7 Ų140.767%0.67476%0.764SS**  trans85.1115.8147-57.2-27000117.7
1020D24.1Very low22.4Very low166 Ų166145.6 Ų145.689%0.88877%0.769SS**  -166.5143.1103.2-101.6-30000114.1
1021V22Very low22.5Very low126 Ų126144.5 Ų144.576%0.76476%0.761SS**  trans-115.2124.5-176.8167.30000108.1
1022L22.3Very low22.5Very low159 Ų159144.1 Ų144.183%0.83276%0.764SS**  trans-145109.4161.1-77.4169.6000106.4
1023S22.2Very low22.5Very low88 Ų88146.9 Ų146.962%0.61577%0.769SS**  71.2146.164.9950000114
1024V23.1Very low22.6Very low129 Ų129145.5 Ų145.578%0.78277%0.766SS**  trans97.2129.6176.2-175.50000112.5
1025D23Very low22.5Very low109 Ų109141.4 Ų141.458%0.58376%0.763SS**  cis-169.8162.6-1.5-129.8-16000107.8
1026K20.6Very low22.6Very low153 Ų153139.7 Ų139.767%0.66576%0.757SS**  trans61.7143.7145.7-68.5169.9179.3124.60117.5
1027Q24.2Very low22.5Very low154 Ų154136.6 Ų136.672%0.7275%0.751SS**  cis-172.8136.910.5-119.8162.4-8.300106
1028S23.6Very low22.5Very low101 Ų101139.9 Ų139.971%0.70675%0.753SS**  trans36.1109.9142.549.60000120.1
1029I26.1Very low22.5Very low179 Ų179141.5 Ų141.592%0.91876%0.758SS**  -143.5129.9123.5-60.3-169.4000109.2
1030E22.3Very low22.4Very low172 Ų172140.4 Ų140.480%0.80476%0.761SS**  trans-74.2162.3-178.6-75.3175.2137.200114.6
1031S22.1Very low22.4Very low103 Ų103138.5 Ų138.572%0.7276%0.757SS**  trans63.6106.8142.6-61.20000119
1032L23Very low22.4Very low168 Ų168139 Ų13988%0.8876%0.76SS**  -157.699.8121.8-101.3156.4000109.3V1034L1032-V1034 PolarHBondContact O-N 2.99Å
1033K20.2Very low22.4Very low201 Ų201139.3 Ų139.387%0.87476%0.762SS**  trans-60.6116.9163.5-80.9172.6172.5172.70108.5
1034V22.3Very low22.5Very low114 Ų114140.3 Ų140.369%0.69177%0.767SS**  trans-124.188.6153-1790000107.7L1032 T1036L1032-V1034 PolarHBondContact O-N 2.99Å; V1034-T1036 HydrophobicContact CG1-CG2 4.07Å; V1034-T1036 PolarHBondContact O-N 2.89Å
1035S21.1Very low22.5Very low114 Ų114137.5 Ų137.580%0.79776%0.764SS**  trans-63.9103.1161.842.90000109.3
1036T22.2Very low22.5Very low102 Ų102139.8 Ų139.863%0.62678%0.776SS**  trans-112.790.2161.740.10000108.5V1034 Y1038V1034-T1036 HydrophobicContact CG1-CG2 4.07Å; V1034-T1036 PolarHBondContact O-N 2.89Å; T1036-Y1038 PolarHBondContact O-N 3.19Å; T1036-Y1038 VanDerWaalsContact O-N 3.12Å
1037S21.7Very low22.6Very low102 Ų102142.6 Ų142.671%0.71379%0.789SS**  trans-67.697165.756.30000108.9K1039S1037-K1039 PolarHBondContact O-N 3.3Å
1038Y22Very low22.5Very low218 Ų218142.6 Ų142.686%0.85579%0.793SS**  trans-78.798.8161.2-84.7-79.5000108.3T1036 S1040T1036-Y1038 PolarHBondContact O-N 3.19Å; T1036-Y1038 VanDerWaalsContact O-N 3.12Å; Y1038-S1040 PolarHBondContact O-N 2.99Å
1039K22.3Very low22.4Very low187 Ų187142.4 Ų142.481%0.81379%0.792SS**  trans-61.8121.3169.5-73.8177.3174.1178.10108.8S1037S1037-K1039 PolarHBondContact O-N 3.3Å
1040S20.3Very low22.3Very low104 Ų104142 Ų14273%0.72779%0.791SS**  trans-63.6123.7161.141.50000109.2Y1038 T1042Y1038-S1040 PolarHBondContact O-N 2.99Å; S1040-T1042 PolarHBondContact O-N 3.34Å
1041P24.4Very low22.2Very low125 Ų125145.5 Ų145.581%0.81280%0.797SS**  trans-77.7110.2174.929.3-28000108.7L1043P1041-L1043 PolarHBondContact O-N 3.39Å
1042T22.1Very low22.3Very low136 Ų136146.4 Ų146.483%0.83480%0.798SS**  trans-72.8113.7160.417.30000107.3S1040S1040-T1042 PolarHBondContact O-N 3.34Å
1043L22.3Very low22.3Very low166 Ų166144.2 Ų144.287%0.86979%0.792SS**  trans-104.5116.4165.6-143.286.2000108.8P1041P1041-L1043 PolarHBondContact O-N 3.39Å
1044P24.4Very low22.4Very low110 Ų110143.1 Ų143.171%0.71480%0.795SS**  trans-81.1154.9-17831.9-32.4000112.1
1045G21.6Very low22.3Very low70 Ų70143.4 Ų143.472%0.72280%0.797SS**  trans-60.1140.4-177.300000114.7
1046N24.5Very low22.4Very low156 Ų156143.2 Ų143.283%0.83480%0.796SS**  trans-135.481.3161.5-93.5-20.7000107.5
1047F21.6Very low22.5Very low213 Ų213144.8 Ų144.893%0.93481%0.806SS**  trans-101.390.9161.2-85.9-78.6000107.4
1048L22.3Very low22.5Very low153 Ų153147.5 Ų147.580%0.80181%0.812SS**  trans-134.3123.6165.3-91.7169.8000109.3
1049S22.7Very low22.6Very low98 Ų98143.2 Ų143.269%0.68581%0.809SS**  trans72.193.8145.6-49.80000117.9
1050N23.2Very low22.6Very low171 Ų171143.3 Ų143.391%0.91481%0.809SS**  trans-129.1105.7135.6-103-16000109.2
1051R20.1Very low22.8Very low244 Ų244144.6 Ų144.692%0.92181%0.813SS**  trans-105.7103.8-177.5-173.9-175.5-155.7179.46.3106.3
1052T24.4Very low23Very low122 Ų122144 Ų14475%0.74881%0.809SS**  trans-1319416920.90000109.4
1053T22Very low23.1Very low122 Ų122148.8 Ų148.875%0.74881%0.814SS**  trans25101.9134.1530000118
1054L22.3Very low23.1Very low178 Ų178147.1 Ų147.193%0.93281%0.81SS**  trans-132.5101146-100.3147.8000107.7
1055T21.4Very low23Very low121 Ų121146.6 Ų146.674%0.74282%0.815SS**  trans-71.9135167.643.20000109.6
1056S22.6Very low23Very low109 Ų109147.9 Ų147.976%0.76281%0.813SS**  trans-175.2105.7142.3-77.50000111.6
1057T23.8Very low22.9Very low136 Ų136146.9 Ų146.983%0.83481%0.808SS**  trans56.5111135.360.50000120.2
1058N22Very low23Very low158 Ų158147.9 Ų147.985%0.84581%0.807SS**  trans-123.6105.8178-169.710.4000106.8
1059T24.8Very low23Very low129 Ų129150 Ų15079%0.79181%0.813SS**  trans-156.998.4170.246.40000107.8
1060K21.4Very low23Very low188 Ų188150.5 Ų150.582%0.81782%0.816SS**  49.2118.590.8-90.1-171.8177.8-179.10115.9
1061T24.8Very low23Very low131 Ų131147.4 Ų147.480%0.80481%0.808SS**  trans118.5145.314165.20000117.4
1062P28.8Very low23.1Very low114 Ų114141.6 Ų141.674%0.7481%0.805SS**  trans-108.7152.6-136.639.4-31.8000113.6
1063Y23.3Very low23.1Very low236 Ų236141.6 Ų141.693%0.92581%0.805SS**PPolyproline II helixtrans-85.8119.6170.6-80.2-84.5000110.6
1064T24.2Very low23.2Very low130 Ų130143.5 Ų143.580%0.79881%0.81SS**PPolyproline II helixtrans-64.9128.8172.643.90000110.9
1065A21.4Very low23.2Very low99 Ų99139.5 Ų139.582%0.81880%0.795SS**PPolyproline II helixtrans-80.6122.1165.200000109.6
1066S21.5Very low23.3Very low97 Ų97142.5 Ų142.568%0.67880%0.798SS**  trans-167.3143.8152.3-11.80000109.7
1067D22.7Very low23.3Very low135 Ų135146.6 Ų146.672%0.72281%0.805SS**  trans73.992.6157.7-52.2-21.2000117.1
1068Y23Very low23.3Very low235 Ų235147 Ų14792%0.92280%0.801SS**  -161.496.7116-86.1-66.6000108.4S1070Y1068-S1070 PolarHBondContact O-N 2.93Å
1069H22.4Very low23.3Very low198 Ų198147.4 Ų147.492%0.91780%0.798SS**  trans-73.1116.2160.9-86.6-79.1000108.5
1070S22.8Very low23.3Very low107 Ų107146.1 Ų146.175%0.74879%0.794SS**  trans-149.3109.4155.960.10000109.7Y1068Y1068-S1070 PolarHBondContact O-N 2.93Å
1071S22.5Very low23.3Very low107 Ų107142.5 Ų142.575%0.74879%0.792SS**  trans-54.5121.3171.8470000112.4T1073S1071-T1073 PolarHBondContact O-N 3.42Å
1072S23Very low23.3Very low122 Ų122144.3 Ų144.385%0.85380%0.796SS**  trans-86.590.7159.659.50000108.7
1073T24.6Very low22.9Very low122 Ų122144.2 Ų144.275%0.74880%0.797SS**PPolyproline II helixtrans-64.2131.4161.128.70000109.8S1071S1071-T1073 PolarHBondContact O-N 3.42Å
1074N24.5Very low23Very low162 Ų162139.2 Ų139.287%0.86679%0.791SS**PPolyproline II helixtrans-65.9130.1179.8-143.7-2.7000110
1075P22.1Very low22.9Very low94 Ų94135.7 Ų135.761%0.6178%0.78SS**PPolyproline II helixtrans-90.3136.6-176.8-0.121.1000112.1
1076F24.4Very low23Very low183 Ų183140.9 Ų140.980%0.80378%0.78SS**  trans67.388.2151.9-70.1-80.2000119.4L1078F1076-L1078 HydrophobicContact CD1-CD1 4.38Å
1077E22Very low23.1Very low196 Ų196145.1 Ų145.192%0.91679%0.787SS**  -70.8129.9129.2-78.7176.6142.800109
1078L24.1Very low23Very low143 Ų143144 Ų14475%0.74979%0.789SS**  trans-149.6102.3159.6-143.490.7000109.9F1076F1076-L1078 HydrophobicContact CD1-CD1 4.38Å
1079E22.3Very low23Very low168 Ų168138.1 Ų138.179%0.78578%0.783SS**  trans48.9142.5131.2-74.4-82.8164.200122.9
1080S24.6Very low23.1Very low101 Ų101134.6 Ų134.671%0.70678%0.776SS**  trans87.396.2152.670.90000118.5
1081S21.1Very low23.2Very low112 Ų112137.2 Ų137.278%0.78378%0.781SS**  71.883.262.477.40000114.4
1082I24.1Very low23.2Very low170 Ų170137.2 Ų137.287%0.87278%0.779SS**  trans-116.5112.7151.7-70.9177.2000107.9
1083S21.3Very low23.4Very low111 Ų111136.3 Ų136.378%0.77678%0.779SS**  trans-91.6123.7173.9163.90000109
1084V24.9Very low23.3Very low132 Ų132139.9 Ų139.980%0.879%0.787SS**  trans-147.6111.4146.6-175.80000107.1
1085G20.8Very low23.4Very low55 Ų55137.2 Ų137.257%0.56778%0.781SS**  trans-81.4165176.400000112.9
1086Y23.4Very low23.6Very low208 Ų208140.1 Ų140.182%0.81679%0.791SS**  trans-173.1132.5134.1-99.4-68.5000110
1087F24.1Very low23.6Very low187 Ų187139.2 Ų139.282%0.8279%0.794SS**  trans68.185.3166-64.7-71.3000120.7
1088S20.7Very low23.7Very low110 Ų110134.7 Ų134.777%0.76978%0.784SS**  trans-62.4126143.6159.60000111.4
1089S23.6Very low23.7Very low113 Ų113134.4 Ų134.479%0.7979%0.788SS**  trans-131.5112.4150.369.10000109
1090T23.5Very low23.9Very low124 Ų124134.9 Ų134.976%0.76179%0.79SS**  trans-41.1130.6170.744.50000114.6
1091N24.7Very low24Very low161 Ų161139.1 Ų139.186%0.86180%0.795SS**  trans-138.2123146.6-135.2-2.7000110.2
1092P23.7Very low24.3Very low108 Ų108139.2 Ų139.270%0.70179%0.793SS**  trans-94.9167.4-175.236.9-33.3000113.4
1093A26.7Very low24.4Very low103 Ų103139.2 Ų139.285%0.85179%0.794SS**  trans81.1117.2152.800000119.1
1094Q23.5Very low24.7Very low197 Ų197140.5 Ų140.592%0.92179%0.793SS**  trans-68.9140.5164.1-60.3168.5-50.700111.1
1095S26.8Very low24.9Very low106 Ų106139 Ų13974%0.74179%0.785SS**  trans-170.3119.1142.456.20000111.3
1096D26.1Very low25.3Very low154 Ų154145.9 Ų145.982%0.82480%0.8SS**  trans53.9105.2141-57.8-26.9000122.4
1097L22.5Very low25.5Very low164 Ų164143.6 Ų143.686%0.85980%0.802SS**  40.793.9112.3-157.380000118
1098S25.9Very low25.8Very low102 Ų102143.7 Ų143.771%0.71381%0.805SS**  -158.9130.8129.553.60000111H1100S1098-H1100 PolarHBondContact O-N 3.09Å
1099V24Very low26.2Very low137 Ų137143.4 Ų143.483%0.8380%0.8SS**  trans-80.2100.4-173.3174.30000108.8
1100H25.1Very low26.3Very low177 Ų177145.3 Ų145.382%0.81980%0.802SS**  trans-93.7113.9164.6-94.5-75.3000109.4S1098S1098-H1100 PolarHBondContact O-N 3.09Å
1101K28.4Very low26.6Very low190 Ų190147.2 Ų147.283%0.82681%0.807SS**PPolyproline II helixtrans-69.5150.7172.3-120.7-174.9171.2177.80110.2
1102P27.1Very low26.6Very low114 Ų114144.3 Ų144.374%0.7480%0.799SS**PPolyproline II helixtrans-86.3146.7-154.334-33.1000113.9
1103L25.8Very low26.7Very low170 Ų170147.4 Ų147.489%0.8981%0.809SS**PPolyproline II helixtrans-53.9132.8165.6-8967.9000111
1104N28.3Very low26.5Very low139 Ų139149.4 Ų149.474%0.74381%0.806SS**PPolyproline II helixtrans-96.7122.6162.6-160.215.1000107.9F1106N1104-F1106 PolarHBondContact O-N 3.05Å
1105P27.7Very low26.7Very low100 Ų100149.2 Ų149.265%0.64980%0.802SS**SBendtrans-89.985.1-167.534-32.2000111.4
1106F30.2Very low26.8Very low200 Ų200150.3 Ų150.388%0.87780%0.8SS**  trans-147.263.8155.8-73.8-71.8000108.5N1104N1104-F1106 PolarHBondContact O-N 3.05Å
1107D26.3Very low26.7Very low159 Ų159149.5 Ų149.585%0.8580%0.795SS**  trans-101.6115.5159.5-89.1-35.2000107.5
1108E30.7Very low27.2Very low189 Ų189149.8 Ų149.888%0.88380%0.798SS**  trans-162.6154.1146-112.6-164.1-175.900109
1109P30.6Very low27.2Very low104 Ų104151.5 Ų151.568%0.67580%0.799SS**  -122.8161.4-105.731-13.7000114.2D1111P1109-D1111 PolarHBondContact O-N 3.23Å
1110N24.3Very low27.5Very low154 Ų154153 Ų15382%0.82480%0.802SS**  trans-4.7110.4154.5-67.5-29.9000117
1111D29.3Very low27.6Very low163 Ų163152.1 Ų152.187%0.87280%0.804SS**  trans-115.897143.2-97.6-31.3000109.5P1109P1109-D1111 PolarHBondContact O-N 3.23Å
1112S24.5Very low27.6Very low100 Ų100146.4 Ų146.470%0.69980%0.799SS**  trans-29.8128151.512.50000113.8
1113L26.5Very low27.5Very low174 Ų174148.3 Ų148.391%0.91180%0.803SS**  trans-160.3115131.2-98.7174.5000110.1
1114N23.7Very low27.4Very low145 Ų145148 Ų14878%0.77580%0.797SS**  trans-43.5140.3168.1-86.7-30.8000113.3
1115F27.3Very low27.3Very low192 Ų192149.2 Ų149.284%0.84280%0.803SS**  -159.1111.1122.6-104.1-74.6000110.8
1116N27.6Very low27Very low129 Ų129151.2 Ų151.269%0.6981%0.807SS**  trans54.5104.6143.5-62.1-3.7000121.3
1117N24.9Very low26.8Very low137 Ų137147.6 Ų147.673%0.73380%0.801SS**  -6.8124.8124.8-53.6-14.3000115.9
1118D32.4Very low26.6Very low170 Ų170145 Ų14591%0.90980%0.796SS**  -142.8109.6129.3-86.7-37.2000106.7
1119D26.2Very low26.2Very low139 Ų139144.3 Ų144.374%0.74379%0.792SS**  trans-74.7139.8168.2-63.4-59.5000108.8
1120D31.4Very low25.8Very low168 Ų168145.2 Ų145.290%0.89880%0.801SS**  trans-156.5129.9139.6-112.3-22.6000111.3
1121D26.8Very low25.7Very low159 Ų159147.1 Ų147.185%0.8580%0.802SS**  trans-71.2162.9-167.9-74.9-57.2000115.1
1122G27.1Very low25.4Very low70 Ų70147.2 Ų147.272%0.72280%0.803SS**  120.183.9124.600000118.8
1123N26.3Very low25.2Very low154 Ų154153.2 Ų153.282%0.82481%0.81SS**  68.5125.8123.1-15124000121.3
1124E22.4Very low25.1Very low162 Ų162154.2 Ų154.276%0.75781%0.807SS**  trans-67.4145.7170.5-58.1174.9150.100111.9
1125N26.5Very low25Very low165 Ų165151.8 Ų151.888%0.88280%0.801SS**  trans-149.9130.7153.2-104.3-31.7000111.1
1126I22.6Very low24.8Very low142 Ų142150.3 Ų150.373%0.72880%0.797SS**  trans-97.8149.8-176-55171.2000108.5
1127T24.9Very low24.6Very low124 Ų124151.1 Ų151.176%0.76180%0.796SS**  trans130.8126.2137.857.30000119.4
1128S23Very low24.5Very low104 Ų104152.1 Ų152.173%0.72780%0.796SS**  trans77.5111.6133.962.70000124.4
1129H22.4Very low24Very low176 Ų176152.6 Ų152.682%0.81579%0.793SS**  24.2132.1122.8-73.1-71.6000122.9
1130S22.4Very low23.9Very low122 Ų122152 Ų15285%0.85380%0.8SS**  trans-158.1125.4133.565.10000112.6
1131F20.4Very low23.6Very low194 Ų194152.6 Ų152.685%0.85180%0.802SS**  trans-83.9148172.9-101.5-100.1000111.4
1132N24.3Very low23.5Very low165 Ų165152.4 Ų152.488%0.88280%0.801SS**  trans-149.7148.7161.7-130.8-20.2000113.7
1133R19.6Very low23.4Very low227 Ų227156.1 Ų156.186%0.85781%0.809SS**  trans-79.2161.5-165.1-68.8169.2164.3174.8-5.3116.7
1134K24.8Very low23.3Very low195 Ų195152.3 Ų152.385%0.84881%0.807SS**  trans160.7119.1135-89.2169.1177.9-173.90109.5
1135S21.4Very low23.2Very low94 Ų94154.4 Ų154.466%0.65781%0.814SS**  61.5117.473.783.20000111.4
1136E22.4Very low23.2Very low161 Ų161154.6 Ų154.675%0.75281%0.814SS**  175.9155.360.4-97.7167.9-170.700112
1137H23.7Very low23.2Very low146 Ų146156.4 Ų156.468%0.67682%0.82SS**  trans58.7116.8141.7-68.7-60.8000124.2
1138H22.8Very low23.2Very low157 Ų157155.9 Ų155.973%0.72782%0.821SS**  69.2133.7102.8-82.4-110.7000114.5
1139E22.8Very low23.2Very low180 Ų180158.7 Ų158.784%0.84183%0.827SS**  cis-173.7153.246.7-127.1160.8-15500108.7
1140S24.2Very low23.3Very low126 Ų126158 Ų15888%0.88183%0.828SS**  trans-137.9149.2178.740.80000111.2
1141L24.8Very low23.6Very low182 Ų182156 Ų15695%0.95383%0.826SS**  trans-127.1131.8-172.2-97.6151000110.4
1142D23.7Very low23.8Very low155 Ų155154.5 Ų154.583%0.82982%0.822SS**  trans-74.9163.6175-84.5-42.9000114
1143V25.4Very low23.8Very low148 Ų148153.1 Ų153.190%0.89781%0.81SS**  174.8127127.5162.60000111.3
1144G24.5Very low24Very low74 Ų74149.6 Ų149.676%0.76380%0.803SS**  106.593128.600000120
1145F21Very low23.8Very low206 Ų206148.8 Ų148.890%0.90480%0.803SS**  trans-96.1149.1163.5-96.1-97.4000111.7
1146N25.9Very low24Very low168 Ų168152.5 Ų152.590%0.89881%0.81SS**  trans-152.4127.4157.6-111.5-11.6000110.5
1147E22.6Very low24.1Very low180 Ų180152.1 Ų152.184%0.84181%0.808SS**  trans-94.1149.1177-70.9179.3137.900111.8
1148S24.5Very low24.1Very low113 Ų113151.7 Ų151.779%0.7981%0.81SS**  trans-162.2117.3155.9-10.20000113.7
1149L24.3Very low24.3Very low163 Ų163151.9 Ų151.985%0.85382%0.816SS**  trans51.8104.1131.2-76.8146.6000123.2
1150I24Very low24.4Very low163 Ų163147.9 Ų147.984%0.83681%0.808SS**  14.5127.1123.8-54.8168.6000118.9
1151G29Very low24.7Very low79 Ų79151.6 Ų151.681%0.81481%0.808SS**  trans-150138.816400000111.8
1152E24.1Very low24.8Very low162 Ų162148.2 Ų148.276%0.75780%0.797SS**  trans-91.5159.1-163.4-68.1-178.5105.500116.5
1153Q23.4Very low24.8Very low136 Ų136152.9 Ų152.964%0.63680%0.803SS**  trans82132.1133.8-84.5176.655.500124.1
1154Q24.3Very low24.9Very low154 Ų154151.6 Ų151.672%0.7280%0.801SS**  trans80.5106.6145.5-67.4176.138.500119.5
1155Q22Very low25Very low177 Ų177153.7 Ų153.783%0.82780%0.804SS**  68108.492.5-86.1-172.617.600116
1156Q25.3Very low25.4Very low173 Ų173150.5 Ų150.581%0.80880%0.796SS**  trans178.3113.1144.2-99.8163.745.900109.1
1157Q24.8Very low25.5Very low153 Ų153147.3 Ų147.372%0.71579%0.785SS**  102.9114.894.3-86.1-176.523.300113.7
1158N23.2Very low25.8Very low136 Ų136147 Ų14773%0.72778%0.781SS**  trans53.9117.7133.3-66.5-28.9000120.7
1159L27Very low25.9Very low161 Ų161148.9 Ų148.984%0.84378%0.782SS**  156.6117.8111.6-90.5139.8000114
1160S25.6Very low25.9Very low96 Ų96151.7 Ų151.767%0.67178%0.781SS**  trans53.4113137.366.60000122.2
1161K28.8Very low26.1Very low204 Ų204154.5 Ų154.589%0.88780%0.798SS**  173.9159.2115.6-97.1177.9179.8177.50112
1162P26.7Very low25.9Very low112 Ų112158.3 Ų158.373%0.72780%0.798SS**  trans-103.6156.4-149.138.7-34.2000116.4
1163R24.4Very low26Very low252 Ų252158.1 Ų158.195%0.95180%0.8SS**  trans37.8102.2148.5-78.6-178.8170.9172.5-3.6118.4
1164S28.4Very low26.2Very low122 Ų122159.3 Ų159.385%0.85381%0.809SS**  trans-123113.7133.660.30000108.7
1165S26.7Very low26.3Very low117 Ų117159.6 Ų159.682%0.81881%0.814SS**  trans-71.7116.8173.245.40000110.6
1166N28.2Very low26.6Very low139 Ų139158.6 Ų158.674%0.74381%0.813SS**  trans-137.2102.3151.3-164.415.1000108F1168N1166-F1168 PolarHBondContact O-N 2.81Å
1167P27.5Very low26.7Very low102 Ų102157.6 Ų157.666%0.66281%0.814SS**  trans-93.471.9-176.636.1-28.9000109.5
1168F29.4Very low26.8Very low173 Ų173157.9 Ų157.976%0.75982%0.821SS**  trans-147.463.7165-74.8-73000108.9N1166N1166-F1168 PolarHBondContact O-N 2.81Å
1169D26.6Very low27.1Very low153 Ų153159.6 Ų159.682%0.81883%0.828SS**  trans-122.592.3153-148.94.6000105.4
1170W25.4Very low27.1Very low221 Ų221159.5 Ų159.584%0.83783%0.827SS**  trans-98102.2161-82.866.3000104.7
1171D27.3Very low27.2Very low223 Ų223165.3 Ų165.3100%1.19384%0.841SS**  trans-78.40131.1-92.7-26000108.5

Retrieved 1,171 of 1,171 residues in 1195.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).