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26S proteasome non-ATPase regulatory subunit 14

Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair. The PSMD14 subunit is a metalloprotease that specifically cleaves 'Lys-63'-linked polyubiquitin chains within the complex. Plays a role in response to double-strand breaks (DSBs): acts as a regulator of non-homologous end joining (NHEJ) by cleaving 'Lys-63'-linked polyubiquitin, thereby promoting retention of JMJD2A/KDM4A on chromatin and restricting TP53BP1 accumulation. Also involved in homologous recombination repair by promoting RAD51 loading.

AlphaFold DB , UniProt , Accession U3IK47, Species ANAPP (Anas platyrhynchos platyrhynchos, Northern mallard), Gene PSMD14, Length 310 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.7Very low38.9Very low232 Ų232166.2 Ų166.2100%1.14391%0.906SS**  072.10-85.9-170177.600105.4
2D40.8Very low38.7Very low159 Ų159162.2 Ų162.285%0.8590%0.895SS**  trans-125.941.6-159.7-70.8-80.9000111.7
3R35.5Very low38.8Very low243 Ų243155.7 Ų155.792%0.91789%0.888SS**SBendtrans-138.923.4-175.1-114.4-175.3-174.7-169.31.7115
4L39.8Very low38.6Very low175 Ų175157.5 Ų157.592%0.91689%0.892SS**SBendtrans-13315.6178.2-122.1133.4000114
5L41.8Very low38.3Very low177 Ų177151.1 Ų151.193%0.92787%0.874SS**SBendtrans-123.634.9179.9-137.394.4000112.8
6R41Very low38.5Very low235 Ų235153.9 Ų153.989%0.88788%0.877SS**  trans-141.435.4-176-125.4-176.3-172.6-1712.5114.8
7L40.6Very low38.5Very low184 Ų184147.8 Ų147.896%0.96386%0.856SS**  trans-112.929.8166.2-104.6125.1000112.1
8G40.4Very low38.6Very low79 Ų79145.8 Ų145.881%0.81485%0.849SS**  trans-85.6114.6154.600000109.1
9G35Very low39.3Very low83 Ų83144.6 Ų144.686%0.85685%0.846SS**  trans159.992.2167.600000114.6
10G35.2Very low39.6Very low76 Ų76143.6 Ų143.678%0.78484%0.842SS**  trans12178.5149.500000117
11M33Very low40.1Very low185 Ų185144.8 Ų144.891%0.91185%0.845SS**  trans-134115.5141.9-96.7-76.4-177.400107.4
12P36.6Very low40.8Very low118 Ų118137 Ų13777%0.76682%0.817SS**  trans-75.8131.1-175.430.7-32.7000110.5L14P12-L14 PolarHBondContact O-N 3.22Å
13G39.5Very low41.7Very low78 Ų78135.9 Ų135.980%0.80482%0.819SS**  trans37.876.415100000117.6G15G13-G15 PolarHBondContact O-N 3.09Å; G13-G15 VanDerWaalsContact O-N 3.12Å
14L36.1Very low43.2Very low181 Ų181126 Ų12695%0.94879%0.789SS**  trans-77.178.4140.4-90.2150.3000106.2P12 Q16P12-L14 PolarHBondContact O-N 3.22Å; L14-Q16 PolarHBondContact O-N 2.77Å; L14-Q16 VanDerWaalsContact O-N 3.13Å
15G34.4Very low44.7Very low61 Ų61120.7 Ų120.763%0.62976%0.764SS**  trans-52.5121.4157.300000106.1G13 G17G13-G15 PolarHBondContact O-N 3.09Å; G13-G15 VanDerWaalsContact O-N 3.12Å; G15-G17 PolarHBondContact O-N 3.47Å
16Q41.3Very low46.3Very low196 Ų196113 Ų11392%0.91672%0.723SS**  trans-48.9107.4151.5-83.6177-300104.3L14L14-Q16 PolarHBondContact O-N 2.77Å; L14-Q16 VanDerWaalsContact O-N 3.13Å
17G37.9Very low47.9Very low51 Ų51102.1 Ų102.153%0.52668%0.684SS.*  trans-49.6149.816400000107.2G15G15-G17 PolarHBondContact O-N 3.47Å
18P41.4Very low49.8Very low112 Ų11294.4 Ų94.473%0.72765%0.646SS**  trans-46.6139173.223.4-32.5000107.6T20P18-T20 PolarHBondContact O-N 3Å
19P50.7Low52.1Low122 Ų12290.8 Ų90.879%0.79261%0.608SS**  trans-50.1111.7177.222.1-31.3000105.7D21P19-D21 PolarHBondContact O-N 3.04Å
20T45.9Very low54.7Low124 Ų12488.4 Ų88.476%0.76158%0.575SS**  trans-55.6127.7171.747.20000104.3P18 A22P18-T20 PolarHBondContact O-N 3Å; T20-A22 PolarHBondContact O-N 3.26Å
21D51Low57.6Low170 Ų17084.8 Ų84.891%0.90954%0.537SS*.  trans-57.385.8175.2-78.1-35.7000108P19P19-D21 PolarHBondContact O-N 3.04Å
22A59.8Low60.6Low68 Ų6879.7 Ų79.756%0.56251%0.508SS*.  trans-72.1133.5170.900000105T20 A24T20-A22 PolarHBondContact O-N 3.26Å; A22-A24 PolarHBondContact O-N 3.26Å
23P59.2Low63.4Low135 Ų13574 Ų7488%0.87747%0.472SS*.  trans-58.1105176.123-31.1000108
24A67.2Low66.1Low36 Ų3671.2 Ų71.230%0.29844%0.44SS..PPolyproline II helixtrans-97.5135.2-179.700000108.6A22 D26 Q176A22-A24 PolarHBondContact O-N 3.26Å; A24-D26 PolarHBondContact O-N 3.11Å; A24-Q176 VanDerWaalsContact CB-CD 3.43Å; A24-Q176 HydrophobicContact CB-CG 3.74Å
25V70.5Confident68.7Low64 Ų6463.5 Ų63.539%0.38840%0.401SS..PPolyproline II helixtrans-65.9124.9175-118.90000109.2R175 Q176V25-R175 HydrophobicContact CB-CG 4.47Å; V25-R175 WeakPolarHBondContact O-CA 3.38Å; V25-R175 WeakPolarHBondContact O-CB 3.34Å; V25-Q176 PolarHBondContact O-N 2.98Å
26D76.5Confident71.5Confident14 Ų1464 Ų648%0.07539%0.389CS..BIsolated β-bridgetrans-92.1149.2-176.7-170.1-12000111.1A24 A28 Y65 R175 Q176 T178A24-D26 PolarHBondContact O-N 3.11Å; D26-A28 PolarHBondContact O-N 3.47Å; D26-A28 PolarHBondContact OD1-N 3.3Å; D26-Y65 HydrophobicContact CB-CD1 3.8Å; D26-Y65 HydrophobicContact CB-CE1 3.37Å; D26-R175 PolarHBondContact O-NE 2.99Å; D26-R175 PolarHBondContact O-NH2 2.9Å; D26-Q176 WeakPolarHBondContact CA-O 3.41Å; D26-Q176 VanDerWaalsContact OD1-O 3.07Å; D26-T178 PolarHBondContact OD1-N 3.45Å; D26-T178 PolarHBondContact OD1-OG1 3.44Å; D26-T178 WeakPolarHBondContact OD2-CB 3.16Å; D26-T178 VanDerWaalsContact OD2-CG2 3.28Å; D26-T178 WeakPolarHBondContact OD2-CG2 3.48Å; D26-T178 PolarHBondContact OD2-OG1 2.9Å
27T74.3Confident74.1Confident8 Ų854.7 Ų54.75%0.04935%0.346CS..THydrogen-bonded Turntrans-60.6-21.5167.563.20000114.1E29 R175 Q176 T177 S179T27-E29 VanDerWaalsContact C-N 3.25Å; T27-E29 PolarHBondContact O-N 2.92Å; T27-R175 VanDerWaalsContact CA-CZ 3.44Å; T27-R175 HydrophobicContact CG2-CB 4.05Å; T27-R175 PolarHBondContact O-NH2 2.93Å; T27-Q176 PolarHBondContact N-O 3.31Å; T27-T177 HydrophobicContact CG2-CG2 4.21Å; T27-T177 WeakPolarHBondContact CG2-OG1 3.21Å; T27-T177 WeakPolarHBondContact OG1-CA 3.41Å; T27-S179 PolarHBondContact OG1-O 3.48Å
28A80.9Confident76.8Confident22 Ų2253.6 Ų53.618%0.18233%0.327CS..THydrogen-bonded Turntrans-75.2-2.7-177.900000115.5D26 Q30 S179D26-A28 PolarHBondContact O-N 3.47Å; D26-A28 PolarHBondContact OD1-N 3.3Å; A28-Q30 PolarHBondContact O-N 3.23Å; A28-S179 WeakPolarHBondContact CA-OG 3.49Å; A28-S179 WeakPolarHBondContact CB-OG 3.33Å
29E87.3Confident79.2Confident2 Ų253 Ų531%0.00932%0.317CS..  trans-59.3136.6-178.7-170.4173.4-166.500112.4T27 Y65 R139 R161 I203 T204T27-E29 VanDerWaalsContact C-N 3.25Å; T27-E29 PolarHBondContact O-N 2.92Å; E29-Y65 CarbonylContact C-O 3.58Å; E29-Y65 VanDerWaalsContact CA-O 3.29Å; E29-Y65 WeakPolarHBondContact CA-O 3.5Å; E29-Y65 WeakPolarHBondContact CG-O 3.32Å; E29-R139 IonicContact OE1-NH2 3.16Å; E29-R161 VanDerWaalsContact CD-NH1 3.28Å; E29-R161 IonicContact OE1-CZ 3.46Å; E29-R161 VanDerWaalsContact OE1-CZ 3.31Å; E29-R161 IonicContact OE1-NH1 3.64Å; E29-R161 PolarHBondContact OE1-NH1 3.26Å; E29-R161 IonicContact OE1-NH2 3.46Å; E29-R161 PolarHBondContact OE1-NH2 3.28Å; E29-R161 IonicContact OE2-CZ 2.62Å; E29-R161 IonicContact OE2-NH1 3.31Å; E29-R161 PolarHBondContact OE2-NH1 3.14Å; E29-R161 IonicContact OE2-NH2 3.86Å; E29-I203 HydrophobicContact CB-CG2 4.23Å; E29-I203 HydrophobicContact CG-CG2 4.12Å; E29-I203 WeakPolarHBondContact O-CG2 3.43Å; E29-T204 PolarHBondContact O-OG1 2.93Å
30Q90.9Very high81.4Confident34 Ų3450.7 Ų50.716%0.15930%0.295CS..EExtended strand (participates in β ladder)trans-129.8142.1-177-72.8174.925.100112.2A28 Y32 Y65 V67 T204 N206A28-Q30 PolarHBondContact O-N 3.23Å; Q30-Y32 PolarHBondContact OE1-OH 3.08Å; Q30-Y65 PolarHBondContact N-O 2.94Å; Q30-V67 PolarHBondContact O-N 2.92Å; Q30-T204 WeakPolarHBondContact CA-O 3.42Å; Q30-T204 WeakPolarHBondContact CG-OG1 3.38Å; Q30-N206 PolarHBondContact OE1-ND2 3.48Å
31V94.6Very high83.7Confident0 Ų044.8 Ų44.80%026%0.259CS..EExtended strand (participates in β ladder)trans-108.6115172.2-174.70000108.9I33 V67 V69 V141 A159 I203 T204 I205 N206V31-I33 HydrophobicContact CG1-CD1 4.47Å; V31-I33 HydrophobicContact CG1-CG1 3.95Å; V31-V67 CarbonylContact C-O 3.59Å; V31-V67 WeakPolarHBondContact CA-O 3.23Å; V31-V67 HydrophobicContact CG2-CB 4.48Å; V31-V69 HydrophobicContact CG1-CG2 3.98Å; V31-V141 HydrophobicContact CG2-CG1 4.13Å; V31-V141 HydrophobicContact CG2-CG2 4.33Å; V31-A159 HydrophobicContact CG2-CB 4.23Å; V31-I203 HydrophobicContact CG2-CB 4.33Å; V31-I203 HydrophobicContact CG2-CG2 3.8Å; V31-T204 PolarHBondContact N-O 2.71Å; V31-I205 WeakPolarHBondContact O-CA 3.35Å; V31-N206 PolarHBondContact O-N 3.42Å
32Y95.8Very high85.7Confident77 Ų7738.6 Ų38.630%0.30223%0.226SC..EExtended strand (participates in β ladder)trans-89.2113.7171.7-70.4-71.1000110.5Q30 T66 V67 V69 N206Q30-Y32 PolarHBondContact OE1-OH 3.08Å; Y32-T66 HydrophobicContact CD2-CG2 3.35Å; Y32-T66 HydrophobicContact CE2-CG2 3.41Å; Y32-T66 VanDerWaalsContact CE2-CG2 3.41Å; Y32-V67 PolarHBondContact N-O 3.07Å; Y32-V69 PolarHBondContact O-N 3.28Å; Y32-N206 CarbonylContact C-O 3.48Å; Y32-N206 VanDerWaalsContact CA-O 3.31Å; Y32-N206 WeakPolarHBondContact CA-O 3.43Å; Y32-N206 HydrophobicContact CD1-CB 3.49Å; Y32-N206 VanDerWaalsContact CD1-CB 3.49Å; Y32-N206 HydrophobicContact CE1-CB 3.41Å; Y32-N206 VanDerWaalsContact CE1-CB 3.41Å
33I96.1Very high87.4Confident0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-101.7129177-57.6-178.8000109.2V31 A37 L38 M41 V69 I157 I205 N206 Y207 R208V31-I33 HydrophobicContact CG1-CD1 4.47Å; V31-I33 HydrophobicContact CG1-CG1 3.95Å; I33-A37 HydrophobicContact CG2-CB 3.95Å; I33-L38 HydrophobicContact CG2-CB 4.27Å; I33-M41 HydrophobicContact CD1-CE 4.27Å; I33-M41 HydrophobicContact CG2-CE 3.66Å; I33-V69 HydrophobicContact CG1-CB 4.48Å; I33-I157 HydrophobicContact CD1-CD1 3.9Å; I33-I205 HydrophobicContact CD1-CD1 4.14Å; I33-I205 HydrophobicContact CD1-CG1 4.45Å; I33-I205 HydrophobicContact CD1-CG2 3.58Å; I33-I205 HydrophobicContact CG1-CG2 3.96Å; I33-N206 PolarHBondContact N-O 3.07Å; I33-Y207 HydrophobicContact CB-CD1 4.4Å; I33-R208 PolarHBondContact O-N 2.88Å
34S95.3Very high89Confident18 Ų1838.8 Ų38.813%0.12620%0.2CC..EExtended strand (participates in β ladder)trans-70.1153.7174.880.10000112.2L36 A37 L38 V69 I70S34-L36 PolarHBondContact O-N 2.95Å; S34-A37 PolarHBondContact O-N 3.39Å; S34-A37 VanDerWaalsContact OG-CB 3.3Å; S34-A37 WeakPolarHBondContact OG-CB 3.33Å; S34-A37 PolarHBondContact OG-N 2.88Å; S34-L38 PolarHBondContact O-N 3.08Å; S34-L38 VanDerWaalsContact O-N 3.08Å; S34-V69 PolarHBondContact N-O 3.44Å; S34-I70 WeakPolarHBondContact CB-O 3.28Å; S34-I70 PolarHBondContact OG-O 2.86Å
35S92.5Very high90.1Very high19 Ų1937.1 Ų37.113%0.13319%0.187CC..Hα-helixtrans-56.6-37173.9-51.30000112.1L39 E213S35-L39 WeakPolarHBondContact O-CG 3.34Å; S35-L39 PolarHBondContact O-N 3.4Å; S35-E213 PolarHBondContact OG-OE2 3.22Å; S35-E213 VanDerWaalsContact OG-OE2 3.04Å
36L93.2Very high91.2Very high73 Ų7341.4 Ų41.438%0.38220%0.196SC..Hα-helixtrans-65.6-49.4178.3178.966.5000111.8S34 L38 L39 K40S34-L36 PolarHBondContact O-N 2.95Å; L36-L38 VanDerWaalsContact C-N 3.31Å; L36-L38 PolarHBondContact O-N 2.93Å; L36-L39 PolarHBondContact O-N 3.01Å; L36-K40 HydrophobicContact CG-CD 4.44Å; L36-K40 WeakPolarHBondContact O-CG 3.25Å; L36-K40 PolarHBondContact O-N 2.89Å
37A95.3Very high91.8Very high0 Ų044.8 Ų44.80%023%0.225CC..Hα-helixtrans-58.3-46.417900000110.7I33 S34 L39 K40 M41 V69 V72I33-A37 HydrophobicContact CG2-CB 3.95Å; S34-A37 PolarHBondContact O-N 3.39Å; S34-A37 VanDerWaalsContact OG-CB 3.3Å; S34-A37 WeakPolarHBondContact OG-CB 3.33Å; S34-A37 PolarHBondContact OG-N 2.88Å; A37-L39 PolarHBondContact O-N 3.39Å; A37-K40 PolarHBondContact O-N 3.17Å; A37-M41 HydrophobicContact CB-CE 4.36Å; A37-M41 VanDerWaalsContact O-CG 3.32Å; A37-M41 WeakPolarHBondContact O-CG 3.5Å; A37-M41 PolarHBondContact O-N 3.47Å; A37-V69 HydrophobicContact CB-CG1 4.14Å; A37-V72 HydrophobicContact CB-CG1 3.88Å
38L93.9Very high92.4Very high27 Ų2744.8 Ų44.814%0.14123%0.228CC..Hα-helixtrans-59-47.1179.6-173.464.6000112.7I33 S34 L36 K40 M41 L42 V155 I157 Y207I33-L38 HydrophobicContact CG2-CB 4.27Å; S34-L38 PolarHBondContact O-N 3.08Å; S34-L38 VanDerWaalsContact O-N 3.08Å; L36-L38 VanDerWaalsContact C-N 3.31Å; L36-L38 PolarHBondContact O-N 2.93Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.41Å; L38-M41 HydrophobicContact CD1-CE 4.37Å; L38-M41 PolarHBondContact O-N 3.44Å; L38-L42 HydrophobicContact CD1-CD1 4.44Å; L38-L42 HydrophobicContact CG-CD1 4.21Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 3.28Å; L38-V155 HydrophobicContact CD1-CG1 4.35Å; L38-I157 HydrophobicContact CD1-CD1 4.04Å; L38-Y207 HydrophobicContact CD1-CE1 4.08Å; L38-Y207 HydrophobicContact CD2-CD1 4.07Å; L38-Y207 HydrophobicContact CD2-CE1 3.68Å; L38-Y207 HydrophobicContact CG-CE1 4.42Å
39L93.2Very high92.7Very high99 Ų9946.4 Ų46.452%0.51824%0.235SC..Hα-helixtrans-65-38.9179.2-71.7173.9000112.2S35 L36 A37 K43S35-L39 WeakPolarHBondContact O-CG 3.34Å; S35-L39 PolarHBondContact O-N 3.4Å; L36-L39 PolarHBondContact O-N 3.01Å; A37-L39 PolarHBondContact O-N 3.39Å; L39-K43 VanDerWaalsContact O-CB 3.25Å; L39-K43 WeakPolarHBondContact O-CB 3.49Å; L39-K43 PolarHBondContact O-N 2.85Å
40K95.8Very high92.7Very high74 Ų7451.9 Ų51.932%0.32227%0.27SS..Hα-helixtrans-64.9-45.6175.7-76.5-177.1170.7-171.80111.7L36 A37 L38 L42 K43 H44 D71 V72L36-K40 HydrophobicContact CG-CD 4.44Å; L36-K40 WeakPolarHBondContact O-CG 3.25Å; L36-K40 PolarHBondContact O-N 2.89Å; A37-K40 PolarHBondContact O-N 3.17Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.41Å; K40-L42 PolarHBondContact O-N 2.99Å; K40-K43 PolarHBondContact O-N 2.82Å; K40-H44 VanDerWaalsContact O-CB 3.23Å; K40-H44 WeakPolarHBondContact O-CB 3.22Å; K40-H44 PolarHBondContact O-N 3.05Å; K40-D71 WeakPolarHBondContact CD-OD1 3.33Å; K40-D71 VanDerWaalsContact CE-OD1 3.31Å; K40-D71 WeakPolarHBondContact CE-OD1 3.46Å; K40-D71 IonicContact NZ-OD1 3.77Å; K40-D71 PolarHBondContact NZ-OD1 3.02Å; K40-D71 IonicContact NZ-OD2 3.66Å; K40-D71 PolarHBondContact NZ-OD2 3.3Å; K40-V72 HydrophobicContact CB-CG2 3.41Å; K40-V72 VanDerWaalsContact CB-CG2 3.41Å; K40-V72 HydrophobicContact CD-CG2 3.89Å; K40-V72 VanDerWaalsContact CD-O 3.28Å; K40-V72 WeakPolarHBondContact CD-O 3.37Å; K40-V72 HydrophobicContact CG-CG2 4.33Å; K40-V72 PolarHBondContact NZ-O 2.9Å; K40-V72 VanDerWaalsContact NZ-O 3.12Å
41M95Very high92.4Very high1 Ų155.7 Ų55.71%0.00529%0.29CS..Hα-helixtrans-59.8-46.6177.1-70.2-173.6-75.500111.4I33 A37 L38 H44 G45 V72 Y112 V143 V145 I157I33-M41 HydrophobicContact CD1-CE 4.27Å; I33-M41 HydrophobicContact CG2-CE 3.66Å; A37-M41 HydrophobicContact CB-CE 4.36Å; A37-M41 VanDerWaalsContact O-CG 3.32Å; A37-M41 WeakPolarHBondContact O-CG 3.5Å; A37-M41 PolarHBondContact O-N 3.47Å; L38-M41 HydrophobicContact CD1-CE 4.37Å; L38-M41 PolarHBondContact O-N 3.44Å; M41-H44 PolarHBondContact O-N 3.06Å; M41-G45 PolarHBondContact O-N 3.38Å; M41-V72 HydrophobicContact CG-CG1 4.15Å; M41-V72 HydrophobicContact CG-CG2 3.96Å; M41-V72 HydrophobicContact SD-CG1 4.33Å; M41-Y112 HydrophobicContact CB-CD2 4.17Å; M41-Y112 HydrophobicContact CB-CE2 4.01Å; M41-Y112 HydrophobicContact CG-CD1 4.1Å; M41-Y112 HydrophobicContact CG-CD2 3.69Å; M41-Y112 HydrophobicContact CG-CE1 4.1Å; M41-Y112 HydrophobicContact CG-CE2 3.69Å; M41-Y112 HydrophobicContact CG-CG 3.9Å; M41-Y112 HydrophobicContact SD-CD1 4.21Å; M41-Y112 HydrophobicContact SD-CD2 4Å; M41-Y112 HydrophobicContact SD-CG 3.79Å; M41-V143 HydrophobicContact SD-CG1 4.2Å; M41-V145 HydrophobicContact CB-CG2 4.31Å; M41-V145 HydrophobicContact SD-CG2 4.33Å; M41-I157 HydrophobicContact CE-CD1 4.23Å
42L93.4Very high92Very high40 Ų4057.1 Ų57.121%0.20930%0.297CS..Hα-helixtrans-65.7-43.6178.5-72.7171.4000112.6L38 K40 H44 R46 V145 V155L38-L42 HydrophobicContact CD1-CD1 4.44Å; L38-L42 HydrophobicContact CG-CD1 4.21Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 3.28Å; K40-L42 PolarHBondContact O-N 2.99Å; L42-H44 VanDerWaalsContact C-N 3.33Å; L42-H44 PolarHBondContact O-N 3.05Å; L42-R46 VanDerWaalsContact O-CB 3.25Å; L42-R46 WeakPolarHBondContact O-CB 3.31Å; L42-R46 PolarHBondContact O-N 3.48Å; L42-V145 HydrophobicContact CD2-CG1 3.74Å; L42-V155 HydrophobicContact CD1-CG1 4.31Å; L42-V155 HydrophobicContact CD1-CG2 4.42Å; L42-V155 HydrophobicContact CD2-CG1 4.12Å
43K94.3Very high91.7Very high169 Ų16953.6 Ų53.674%0.73528%0.283SS*.Hα-helixtrans-60.7-45.3176.4-179.4-179.5177.8-177.90111L39 K40 A47L39-K43 VanDerWaalsContact O-CB 3.25Å; L39-K43 WeakPolarHBondContact O-CB 3.49Å; L39-K43 PolarHBondContact O-N 2.85Å; K40-K43 PolarHBondContact O-N 2.82Å; K43-A47 WeakPolarHBondContact O-CB 3.27Å; K43-A47 PolarHBondContact O-N 2.83Å; K43-A47 VanDerWaalsContact O-N 3.11Å
44H93.4Very high91.5Very high38 Ų3853.8 Ų53.818%0.17628%0.284CS..Hα-helixtrans-67.9-49.6-179.5-175.6-147.3000111.7K40 M41 L42 R46 A47 G48 M54 A74 Y112K40-H44 VanDerWaalsContact O-CB 3.23Å; K40-H44 WeakPolarHBondContact O-CB 3.22Å; K40-H44 PolarHBondContact O-N 3.05Å; M41-H44 PolarHBondContact O-N 3.06Å; L42-H44 VanDerWaalsContact C-N 3.33Å; L42-H44 PolarHBondContact O-N 3.05Å; H44-R46 VanDerWaalsContact C-N 3.28Å; H44-R46 PolarHBondContact O-N 3.25Å; H44-A47 PolarHBondContact O-N 3.45Å; H44-A47 VanDerWaalsContact O-N 3.1Å; H44-G48 PolarHBondContact O-N 3.32Å; H44-G48 VanDerWaalsContact O-N 3.07Å; H44-M54 PolarHBondContact CE1-O 3.08Å; H44-M54 VanDerWaalsContact CE1-O 3.28Å; H44-A74 WeakPolarHBondContact CE1-CB 3.43Å; H44-A74 WeakPolarHBondContact NE2-CB 3.32Å; H44-Y112 AromaticContact ND1-CZ 3.79Å; H44-Y112 PolarHBondContact ND1-OH 3.09Å
45G90.8Very high91.3Very high1 Ų153 Ų531%0.0128%0.278CS..Hα-helixtrans-55-43.1175.900000112.4M41 G48 V49M41-G45 PolarHBondContact O-N 3.38Å; G45-G48 PolarHBondContact O-N 2.96Å; G45-V49 WeakPolarHBondContact O-CG2 3.15Å
46R91.8Very high91.4Very high154 Ų15452 Ų5258%0.58127%0.272SS*.Hα-helixtrans-68.2-35.3178.3-169.664.9177.4-170.35.8113.1L42 H44 G48 P147L42-R46 VanDerWaalsContact O-CB 3.25Å; L42-R46 WeakPolarHBondContact O-CB 3.31Å; L42-R46 PolarHBondContact O-N 3.48Å; H44-R46 VanDerWaalsContact C-N 3.28Å; H44-R46 PolarHBondContact O-N 3.25Å; R46-G48 VanDerWaalsContact C-N 3.29Å; R46-P147 HydrophobicContact CB-CB 4.34Å; R46-P147 PolarHBondContact NH1-O 3.4Å; R46-P147 VanDerWaalsContact NH1-O 3.11Å
47A90.4Very high91.6Very high84 Ų8448.6 Ų48.669%0.69425%0.253SS*.Hα-helixtrans-71.6-25177.300000112.9K43 H44K43-A47 WeakPolarHBondContact O-CB 3.27Å; K43-A47 PolarHBondContact O-N 2.83Å; K43-A47 VanDerWaalsContact O-N 3.11Å; H44-A47 PolarHBondContact O-N 3.45Å; H44-A47 VanDerWaalsContact O-N 3.1Å
48G86Confident91.6Very high9 Ų948.7 Ų48.79%0.09325%0.254CS..Hα-helixtrans-76.5-23.1178.600000115.3H44 G45 R46 M51H44-G48 PolarHBondContact O-N 3.32Å; H44-G48 VanDerWaalsContact O-N 3.07Å; G45-G48 PolarHBondContact O-N 2.96Å; R46-G48 VanDerWaalsContact C-N 3.29Å; G48-M51 CarbonylContact C-O 3.49Å; G48-M51 VanDerWaalsContact C-O 3.28Å; G48-M51 CarbonylContact O-C 3.55Å; G48-M51 WeakPolarHBondContact O-CA 3.38Å; G48-M51 PolarHBondContact O-N 3.4Å
49V88Confident91.6Very high56 Ų5647.5 Ų47.534%0.33925%0.248SC..THydrogen-bonded Turntrans-55.3127.6-174.6-178.50000110.8G45 P116 P147 I148G45-V49 WeakPolarHBondContact O-CG2 3.15Å; V49-P116 HydrophobicContact CG2-CB 4.21Å; V49-P116 HydrophobicContact CG2-CG 4.42Å; V49-P147 HydrophobicContact CG2-CG 4.06Å; V49-I148 HydrophobicContact CG1-CD1 4.1Å; V49-I148 HydrophobicContact CG2-CG1 4.41Å
50P86.6Confident91.6Very high116 Ų11646.5 Ų46.575%0.75324%0.241SC*.THydrogen-bonded Turncis-92.2214.336.5-36.8000116.1
51M84.9Confident91.5Very high115 Ų11545.5 Ų45.557%0.56724%0.236SC*.SBendtrans-89.3149.5-177.6-60-174.1-63.500112.1G48G48-M51 CarbonylContact C-O 3.49Å; G48-M51 VanDerWaalsContact C-O 3.28Å; G48-M51 CarbonylContact O-C 3.55Å; G48-M51 WeakPolarHBondContact O-CA 3.38Å; G48-M51 PolarHBondContact O-N 3.4Å
52E87Confident91.3Very high30 Ų3048.7 Ų48.714%0.1426%0.256CS..PPolyproline II helixtrans-74.2125.5175-57-168.5167.700111Q77 S114 H115E52-Q77 PolarHBondContact O-NE2 3.16Å; E52-S114 VanDerWaalsContact CB-O 3.29Å; E52-S114 WeakPolarHBondContact CB-O 3.44Å; E52-S114 VanDerWaalsContact CG-O 3.24Å; E52-S114 WeakPolarHBondContact CG-O 3.26Å; E52-H115 IonicContact OE1-CD2 2.67Å; E52-H115 PolarHBondContact OE1-CD2 3.3Å; E52-H115 IonicContact OE1-NE2 2.67Å; E52-H115 IonicContact OE2-CD2 2.92Å; E52-H115 IonicContact OE2-NE2 3.95Å
53V89.4Confident91.1Very high3 Ų350.3 Ų50.32%0.01827%0.265CS..PPolyproline II helixtrans-101.2151.2173.9-68.40000110.8H113 S114V53-H113 CarbonylContact O-C 3.5Å; V53-H113 WeakPolarHBondContact O-CA 3.27Å; V53-H113 VanDerWaalsContact O-CB 3.3Å; V53-H113 WeakPolarHBondContact O-CB 3.32Å; V53-S114 WeakPolarHBondContact CG2-OG 3.35Å; V53-S114 PolarHBondContact N-OG 3.41Å; V53-S114 PolarHBondContact O-N 3.33Å
54M90.8Very high90.6Very high4 Ų447.9 Ų47.92%0.0226%0.26CS..EExtended strand (participates in β ladder)trans-121.1160.9167.677.1159.843.400112.9H44 M75 V84 V87 W111 Y112 H113H44-M54 PolarHBondContact CE1-O 3.08Å; H44-M54 VanDerWaalsContact CE1-O 3.28Å; M54-M75 HydrophobicContact CG-CB 4.04Å; M54-M75 HydrophobicContact CG-CG 4.49Å; M54-M75 PolarHBondContact O-N 3.12Å; M54-M75 VanDerWaalsContact O-N 3.17Å; M54-M75 HydrophobicContact SD-CB 4.37Å; M54-M75 HydrophobicContact SD-CG 4.44Å; M54-V84 HydrophobicContact CB-CB 4.41Å; M54-V84 HydrophobicContact CB-CG1 3.69Å; M54-V84 HydrophobicContact CB-CG2 4.4Å; M54-V84 HydrophobicContact CE-CB 3.35Å; M54-V84 HydrophobicContact CE-CG1 3.09Å; M54-V84 HydrophobicContact CE-CG2 4.32Å; M54-V84 HydrophobicContact CG-CB 4.41Å; M54-V84 HydrophobicContact CG-CG1 3.3Å; M54-V84 HydrophobicContact SD-CB 4.46Å; M54-V84 HydrophobicContact SD-CG1 3.57Å; M54-V84 VanDerWaalsContact SD-CG1 3.57Å; M54-V87 HydrophobicContact CE-CG2 4.24Å; M54-V87 HydrophobicContact SD-CG2 3.89Å; M54-W111 HydrophobicContact CE-CE3 4.31Å; M54-W111 HydrophobicContact CE-CZ3 4.38Å; M54-Y112 CarbonylContact C-O 3.55Å; M54-Y112 VanDerWaalsContact CA-O 3.22Å; M54-Y112 WeakPolarHBondContact CA-O 3.18Å; M54-H113 HydrophobicContact CB-CB 4.24Å
55G92.7Very high90.3Very high0 Ų051.2 Ų51.20%027%0.272CS..EExtended strand (participates in β ladder)trans-154.7173.4163.300000112.5F73 W111 Y112G55-F73 CarbonylContact C-O 3.5Å; G55-F73 WeakPolarHBondContact CA-O 3.31Å; G55-W111 WeakPolarHBondContact O-CA 3.38Å; G55-Y112 VanDerWaalsContact C-CE1 3.49Å; G55-Y112 PolarHBondContact N-O 3.05Å; G55-Y112 WeakPolarHBondContact O-CD1 3.19Å; G55-Y112 PolarHBondContact O-N 3.32Å
56L94.2Very high90.3Very high0 Ų052.2 Ų52.20%028%0.278CS..EExtended strand (participates in β ladder)trans-97.7143.8178.3-63.7179.5000110.4V72 F73 M75 Q92 V108 W111 F133L56-V72 WeakPolarHBondContact O-CA 3.42Å; L56-F73 HydrophobicContact CB-CD1 4.49Å; L56-F73 HydrophobicContact CB-CE1 3.9Å; L56-F73 HydrophobicContact CB-CE2 4.41Å; L56-F73 HydrophobicContact CB-CZ 3.87Å; L56-F73 HydrophobicContact CD1-CE1 4.46Å; L56-F73 HydrophobicContact CD1-CE2 4.27Å; L56-F73 HydrophobicContact CD1-CZ 3.73Å; L56-F73 HydrophobicContact CG-CZ 4.26Å; L56-F73 PolarHBondContact N-O 3.43Å; L56-F73 PolarHBondContact O-N 3.32Å; L56-M75 HydrophobicContact CD1-SD 3.99Å; L56-M75 HydrophobicContact CG-CG 4.11Å; L56-M75 HydrophobicContact CG-SD 4.19Å; L56-Q92 HydrophobicContact CD1-CB 4.26Å; L56-Q92 HydrophobicContact CD1-CG 3.67Å; L56-V108 HydrophobicContact CD1-CG2 4.49Å; L56-V108 HydrophobicContact CD2-CG1 4.36Å; L56-W111 HydrophobicContact CD2-CB 4.07Å; L56-F133 HydrophobicContact CD2-CE1 3.85Å; L56-F133 HydrophobicContact CD2-CZ 3.73Å
57M95.9Very high90.4Very high0 Ų045 Ų450%025%0.25CS..EExtended strand (participates in β ladder)trans-101.2128.1176.5-60.6-166.4-69.600109.9V69 V72 V108 V109 G110 W111 Y112 V141 V143M57-V69 HydrophobicContact CB-CG1 3.96Å; M57-V69 HydrophobicContact CB-CG2 4.45Å; M57-V69 HydrophobicContact CG-CG1 4.29Å; M57-V69 HydrophobicContact SD-CG1 4.16Å; M57-V69 HydrophobicContact SD-CG2 4.04Å; M57-V72 HydrophobicContact CB-CG1 4.4Å; M57-V72 HydrophobicContact CG-CG1 4Å; M57-V108 WeakPolarHBondContact O-CA 3.32Å; M57-V109 HydrophobicContact CB-CG2 4.05Å; M57-V109 PolarHBondContact O-N 3.31Å; M57-G110 PolarHBondContact N-O 3.36Å; M57-W111 WeakPolarHBondContact CE-O 3.28Å; M57-Y112 HydrophobicContact CG-CD1 3.99Å; M57-V141 HydrophobicContact CE-CB 4.19Å; M57-V141 HydrophobicContact CE-CG1 4.45Å; M57-V141 WeakPolarHBondContact CE-O 3.23Å; M57-V143 HydrophobicContact CE-CB 4.14Å; M57-V143 HydrophobicContact CE-CG2 3.54Å; M57-V143 HydrophobicContact SD-CB 4Å; M57-V143 HydrophobicContact SD-CG2 3.61Å
58L95.3Very high90.7Very high3 Ų344 Ų442%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-109.5137.6179.3-61.8179000110.5I70 D71 F73 L96 L99 E106 M107 V108L58-I70 PolarHBondContact O-N 3.48Å; L58-D71 WeakPolarHBondContact CA-O 3.23Å; L58-D71 PolarHBondContact N-O 3.4Å; L58-D71 PolarHBondContact O-N 3.47Å; L58-D71 VanDerWaalsContact O-O 3.11Å; L58-F73 HydrophobicContact CD1-CD1 3.74Å; L58-F73 HydrophobicContact CD1-CE1 3.83Å; L58-F73 HydrophobicContact CD2-CE1 4.05Å; L58-F73 HydrophobicContact CG-CD1 4.08Å; L58-F73 HydrophobicContact CG-CE1 3.98Å; L58-L96 HydrophobicContact CD2-CD2 3.66Å; L58-L99 HydrophobicContact CD1-CD1 3.39Å; L58-E106 HydrophobicContact CB-CB 4.14Å; L58-M107 WeakPolarHBondContact CA-O 3.24Å; L58-V108 HydrophobicContact CD2-CG2 3.82Å
59G95Very high91.2Very high1 Ų143.7 Ų43.71%0.0123%0.225CC..EExtended strand (participates in β ladder)trans173.6-146.217700000112.6R68 M107 V109G59-R68 VanDerWaalsContact CA-O 3.24Å; G59-R68 WeakPolarHBondContact CA-O 3.43Å; G59-M107 PolarHBondContact N-O 2.98Å; G59-M107 PolarHBondContact O-N 3.37Å; G59-V109 VanDerWaalsContact C-CG1 3.49Å
60E94Very high91.5Very high78 Ų7843.6 Ų43.636%0.36422%0.222SC..EExtended strand (participates in β ladder)trans-140.3147.2-176.163.6-175.3175.300111.2V62 R68 I70E60-V62 HydrophobicContact CG-CG2 4.09Å; E60-R68 HydrophobicContact CG-CB 4.02Å; E60-R68 PolarHBondContact N-O 3.26Å; E60-R68 PolarHBondContact O-N 3.37Å; E60-R68 VanDerWaalsContact OE1-CD 3.32Å; E60-R68 WeakPolarHBondContact OE1-CD 3.38Å; E60-R68 IonicContact OE1-CZ 3.37Å; E60-R68 IonicContact OE1-NE 3.6Å; E60-R68 PolarHBondContact OE1-NE 2.82Å; E60-R68 IonicContact OE1-NH1 2.89Å; E60-R68 PolarHBondContact OE1-NH1 3.35Å; E60-I70 HydrophobicContact CG-CD1 4.43Å
61F93.1Very high91.9Very high53 Ų5338.2 Ų38.223%0.23219%0.187CC..EExtended strand (participates in β ladder)trans-88.8111166.4-62.7-70.1000107.4V67 M107 V109 R139F61-V67 HydrophobicContact CD1-CG1 4.12Å; F61-V67 HydrophobicContact CD1-CG2 4Å; F61-V67 HydrophobicContact CE1-CG1 3.92Å; F61-V67 HydrophobicContact CE1-CG2 4.04Å; F61-M107 HydrophobicContact CD2-CE 4.3Å; F61-M107 HydrophobicContact CD2-SD 4.18Å; F61-M107 HydrophobicContact CE2-CE 4.17Å; F61-M107 HydrophobicContact CE2-SD 4.5Å; F61-V109 HydrophobicContact CD2-CG1 4.2Å; F61-V109 HydrophobicContact CE1-CB 4.12Å; F61-V109 HydrophobicContact CE1-CG1 4.24Å; F61-V109 HydrophobicContact CE2-CB 4.27Å; F61-V109 HydrophobicContact CE2-CG1 3.86Å; F61-V109 HydrophobicContact CZ-CB 3.81Å; F61-V109 HydrophobicContact CZ-CG1 3.88Å; F61-R139 HydrophobicContact CD1-CB 4.16Å; F61-R139 HydrophobicContact CE1-CB 3.63Å; F61-R139 HydrophobicContact CZ-CB 4.05Å
62V90.3Very high92.4Very high69 Ų6932.8 Ų32.842%0.41816%0.16SC..EExtended strand (participates in β ladder)trans-81.7-48.2-172.9-179.40000110.6E60 T66 R68E60-V62 HydrophobicContact CG-CG2 4.09Å; V62-T66 HydrophobicContact CB-CG2 4.4Å; V62-T66 HydrophobicContact CG2-CG2 4.45Å; V62-T66 PolarHBondContact N-O 3.42Å; V62-R68 HydrophobicContact CG2-CB 3.99Å
63D88.6Confident92.7Very high74 Ų7432.3 Ų32.340%0.39616%0.158SC..EExtended strand (participates in β ladder)trans-149.7-176.417660.226.2000108.2Y65 T66 R139D63-Y65 PolarHBondContact O-N 3.15Å; D63-Y65 PolarHBondContact OD1-N 3.3Å; D63-T66 PolarHBondContact O-N 3.41Å; D63-T66 WeakPolarHBondContact OD1-CA 3.23Å; D63-T66 WeakPolarHBondContact OD1-CB 3.5Å; D63-T66 PolarHBondContact OD1-N 3.4Å; D63-T66 PolarHBondContact OD1-OG1 3.38Å; D63-T66 PolarHBondContact OD2-OG1 3.48Å; D63-R139 PolarHBondContact O-NH1 3.29Å; D63-R139 PolarHBondContact O-NH2 2.78Å
64D85.1Confident92.9Very high118 Ų11834.1 Ų34.163%0.63117%0.173SC*.THydrogen-bonded Turntrans-66.8-19.1-177-64.3-27000114.1R139D64-R139 VanDerWaalsContact C-NH2 3.27Å; D64-R139 PolarHBondContact O-NH2 3.44Å
65Y86.6Confident92.8Very high108 Ų10834.1 Ų34.142%0.42417%0.173SC..THydrogen-bonded Turntrans-109.5-5.7-175.3-55.2-66.2000113.5D26 E29 Q30 D63D26-Y65 HydrophobicContact CB-CD1 3.8Å; D26-Y65 HydrophobicContact CB-CE1 3.37Å; E29-Y65 CarbonylContact C-O 3.58Å; E29-Y65 VanDerWaalsContact CA-O 3.29Å; E29-Y65 WeakPolarHBondContact CA-O 3.5Å; E29-Y65 WeakPolarHBondContact CG-O 3.32Å; Q30-Y65 PolarHBondContact N-O 2.94Å; D63-Y65 PolarHBondContact O-N 3.15Å; D63-Y65 PolarHBondContact OD1-N 3.3Å
66T91.1Very high92.3Very high22 Ų2237.4 Ų37.414%0.13519%0.194CC..EExtended strand (participates in β ladder)trans-131.3115.2-170.3-51.40000111.7Y32 V62 D63Y32-T66 HydrophobicContact CD2-CG2 3.35Å; Y32-T66 HydrophobicContact CE2-CG2 3.41Å; Y32-T66 VanDerWaalsContact CE2-CG2 3.41Å; V62-T66 HydrophobicContact CB-CG2 4.4Å; V62-T66 HydrophobicContact CG2-CG2 4.45Å; V62-T66 PolarHBondContact N-O 3.42Å; D63-T66 PolarHBondContact O-N 3.41Å; D63-T66 WeakPolarHBondContact OD1-CA 3.23Å; D63-T66 WeakPolarHBondContact OD1-CB 3.5Å; D63-T66 PolarHBondContact OD1-N 3.4Å; D63-T66 PolarHBondContact OD1-OG1 3.38Å; D63-T66 PolarHBondContact OD2-OG1 3.48Å
67V94.4Very high91.1Very high1 Ų141.3 Ų41.31%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-103.8126.6170.8-173.50000108.9Q30 V31 Y32 F61 V109 V141Q30-V67 PolarHBondContact O-N 2.92Å; V31-V67 CarbonylContact C-O 3.59Å; V31-V67 WeakPolarHBondContact CA-O 3.23Å; V31-V67 HydrophobicContact CG2-CB 4.48Å; Y32-V67 PolarHBondContact N-O 3.07Å; F61-V67 HydrophobicContact CD1-CG1 4.12Å; F61-V67 HydrophobicContact CD1-CG2 4Å; F61-V67 HydrophobicContact CE1-CG1 3.92Å; F61-V67 HydrophobicContact CE1-CG2 4.04Å; V67-V109 HydrophobicContact CG1-CB 4.06Å; V67-V109 HydrophobicContact CG1-CG2 4.3Å; V67-V141 HydrophobicContact CG1-CG2 4.36Å; V67-V141 HydrophobicContact CG2-CG2 4.16Å
68R95.4Very high89.4Confident65 Ų6545.5 Ų45.525%0.24524%0.242CC..EExtended strand (participates in β ladder)trans-110.7112.9179.4-171.2-176.9-60.1170.35.4110.1G59 E60 V62 I70G59-R68 VanDerWaalsContact CA-O 3.24Å; G59-R68 WeakPolarHBondContact CA-O 3.43Å; E60-R68 HydrophobicContact CG-CB 4.02Å; E60-R68 PolarHBondContact N-O 3.26Å; E60-R68 PolarHBondContact O-N 3.37Å; E60-R68 VanDerWaalsContact OE1-CD 3.32Å; E60-R68 WeakPolarHBondContact OE1-CD 3.38Å; E60-R68 IonicContact OE1-CZ 3.37Å; E60-R68 IonicContact OE1-NE 3.6Å; E60-R68 PolarHBondContact OE1-NE 2.82Å; E60-R68 IonicContact OE1-NH1 2.89Å; E60-R68 PolarHBondContact OE1-NH1 3.35Å; V62-R68 HydrophobicContact CG2-CB 3.99Å; R68-I70 HydrophobicContact CG-CG1 4.12Å
69V96.6Very high87.4Confident1 Ų149 Ų491%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-93.9109.6173.9-176.90000108.9V31 Y32 I33 S34 A37 M57 V72 V109V31-V69 HydrophobicContact CG1-CG2 3.98Å; Y32-V69 PolarHBondContact O-N 3.28Å; I33-V69 HydrophobicContact CG1-CB 4.48Å; S34-V69 PolarHBondContact N-O 3.44Å; A37-V69 HydrophobicContact CB-CG1 4.14Å; M57-V69 HydrophobicContact CB-CG1 3.96Å; M57-V69 HydrophobicContact CB-CG2 4.45Å; M57-V69 HydrophobicContact CG-CG1 4.29Å; M57-V69 HydrophobicContact SD-CG1 4.16Å; M57-V69 HydrophobicContact SD-CG2 4.04Å; V69-V72 HydrophobicContact CG1-CG1 4.1Å; V69-V109 HydrophobicContact CG2-CG2 3.99Å
70I94.3Very high85.3Confident54 Ų5453.4 Ų53.428%0.27731%0.305SS..EExtended strand (participates in β ladder)trans-92.2-45.5-175.9-60176.2000110.3S34 L58 E60 R68 E106S34-I70 WeakPolarHBondContact CB-O 3.28Å; S34-I70 PolarHBondContact OG-O 2.86Å; L58-I70 PolarHBondContact O-N 3.48Å; E60-I70 HydrophobicContact CG-CD1 4.43Å; R68-I70 HydrophobicContact CG-CG1 4.12Å; I70-E106 HydrophobicContact CD1-CG 4.11Å
71D95.3Very high83.2Confident4 Ų452.5 Ų52.52%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-141.8164-179.1-161.923.6000112K40 L58 R104K40-D71 WeakPolarHBondContact CD-OD1 3.33Å; K40-D71 VanDerWaalsContact CE-OD1 3.31Å; K40-D71 WeakPolarHBondContact CE-OD1 3.46Å; K40-D71 IonicContact NZ-OD1 3.77Å; K40-D71 PolarHBondContact NZ-OD1 3.02Å; K40-D71 IonicContact NZ-OD2 3.66Å; K40-D71 PolarHBondContact NZ-OD2 3.3Å; L58-D71 WeakPolarHBondContact CA-O 3.23Å; L58-D71 PolarHBondContact N-O 3.4Å; L58-D71 PolarHBondContact O-N 3.47Å; L58-D71 VanDerWaalsContact O-O 3.11Å; D71-R104 VanDerWaalsContact CG-NH1 3.34Å; D71-R104 IonicContact OD2-CZ 2.71Å; D71-R104 IonicContact OD2-NH1 2.71Å; D71-R104 PolarHBondContact OD2-NH1 3.36Å
72V95.6Very high81.2Confident1 Ų156.1 Ų56.11%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-136.1154.2172.6-56.30000110A37 K40 M41 L56 M57 V69 Y112A37-V72 HydrophobicContact CB-CG1 3.88Å; K40-V72 HydrophobicContact CB-CG2 3.41Å; K40-V72 VanDerWaalsContact CB-CG2 3.41Å; K40-V72 HydrophobicContact CD-CG2 3.89Å; K40-V72 VanDerWaalsContact CD-O 3.28Å; K40-V72 WeakPolarHBondContact CD-O 3.37Å; K40-V72 HydrophobicContact CG-CG2 4.33Å; K40-V72 PolarHBondContact NZ-O 2.9Å; K40-V72 VanDerWaalsContact NZ-O 3.12Å; M41-V72 HydrophobicContact CG-CG1 4.15Å; M41-V72 HydrophobicContact CG-CG2 3.96Å; M41-V72 HydrophobicContact SD-CG1 4.33Å; L56-V72 WeakPolarHBondContact O-CA 3.42Å; M57-V72 HydrophobicContact CB-CG1 4.4Å; M57-V72 HydrophobicContact CG-CG1 4Å; V69-V72 HydrophobicContact CG1-CG1 4.1Å; V72-Y112 HydrophobicContact CB-CD1 4.39Å; V72-Y112 HydrophobicContact CB-CE1 3.84Å; V72-Y112 HydrophobicContact CG1-CD1 4.35Å; V72-Y112 HydrophobicContact CG1-CE1 4.27Å; V72-Y112 HydrophobicContact CG2-CE1 4.23Å
73F94Very high79.4Confident19 Ų1954.4 Ų54.48%0.08333%0.334CS..EExtended strand (participates in β ladder)trans-135.2149.6166.267.9-87.8000110.9G55 L56 L58 M75 F91 M95 L99G55-F73 CarbonylContact C-O 3.5Å; G55-F73 WeakPolarHBondContact CA-O 3.31Å; L56-F73 HydrophobicContact CB-CD1 4.49Å; L56-F73 HydrophobicContact CB-CE1 3.9Å; L56-F73 HydrophobicContact CB-CE2 4.41Å; L56-F73 HydrophobicContact CB-CZ 3.87Å; L56-F73 HydrophobicContact CD1-CE1 4.46Å; L56-F73 HydrophobicContact CD1-CE2 4.27Å; L56-F73 HydrophobicContact CD1-CZ 3.73Å; L56-F73 HydrophobicContact CG-CZ 4.26Å; L56-F73 PolarHBondContact N-O 3.43Å; L56-F73 PolarHBondContact O-N 3.32Å; L58-F73 HydrophobicContact CD1-CD1 3.74Å; L58-F73 HydrophobicContact CD1-CE1 3.83Å; L58-F73 HydrophobicContact CD2-CE1 4.05Å; L58-F73 HydrophobicContact CG-CD1 4.08Å; L58-F73 HydrophobicContact CG-CE1 3.98Å; F73-M75 HydrophobicContact CD2-SD 4.33Å; F73-M75 HydrophobicContact CE2-SD 3.6Å; F73-M75 VanDerWaalsContact CE2-SD 3.6Å; F73-M75 HydrophobicContact CZ-SD 4.42Å; F73-F91 HydrophobicContact CD2-CE1 4.29Å; F73-F91 HydrophobicContact CE2-CE1 4.1Å; F73-M95 HydrophobicContact CD1-CG 4.32Å; F73-M95 HydrophobicContact CD2-CE 4.37Å; F73-M95 HydrophobicContact CD2-CG 3.82Å; F73-M95 HydrophobicContact CE1-CG 4.23Å; F73-M95 HydrophobicContact CE2-CB 4.09Å; F73-M95 HydrophobicContact CE2-CG 3.71Å; F73-M95 HydrophobicContact CG-CG 4.1Å; F73-M95 HydrophobicContact CZ-CB 4.25Å; F73-M95 HydrophobicContact CZ-CG 3.91Å; F73-L99 HydrophobicContact CD1-CD1 4.31Å; F73-L99 HydrophobicContact CE1-CD1 4.48Å
74A92.3Very high77.8Confident41 Ų4151.8 Ų51.834%0.33932%0.321SS..EExtended strand (participates in β ladder)trans-76.9138.7178.400000110.2H44H44-A74 WeakPolarHBondContact CE1-CB 3.43Å; H44-A74 WeakPolarHBondContact NE2-CB 3.32Å
75M88.6Confident76.4Confident4 Ų452.9 Ų52.92%0.0232%0.322CS..PPolyproline II helixtrans-90.3140.1166.7-67.8-64.6-68.200109M54 L56 F73 Q77 V87 F91M54-M75 HydrophobicContact CG-CB 4.04Å; M54-M75 HydrophobicContact CG-CG 4.49Å; M54-M75 PolarHBondContact O-N 3.12Å; M54-M75 VanDerWaalsContact O-N 3.17Å; M54-M75 HydrophobicContact SD-CB 4.37Å; M54-M75 HydrophobicContact SD-CG 4.44Å; L56-M75 HydrophobicContact CD1-SD 3.99Å; L56-M75 HydrophobicContact CG-CG 4.11Å; L56-M75 HydrophobicContact CG-SD 4.19Å; F73-M75 HydrophobicContact CD2-SD 4.33Å; F73-M75 HydrophobicContact CE2-SD 3.6Å; F73-M75 VanDerWaalsContact CE2-SD 3.6Å; F73-M75 HydrophobicContact CZ-SD 4.42Å; M75-Q77 PolarHBondContact O-N 3.43Å; M75-V87 HydrophobicContact CE-CG1 4.12Å; M75-F91 HydrophobicContact CE-CB 4.39Å; M75-F91 HydrophobicContact CE-CD1 3.7Å; M75-F91 HydrophobicContact CE-CE1 4.5Å; M75-F91 HydrophobicContact CE-CG 4.44Å; M75-F91 HydrophobicContact SD-CD1 3.59Å; M75-F91 VanDerWaalsContact SD-CD1 3.59Å; M75-F91 HydrophobicContact SD-CE1 3.88Å
76P82.3Confident75Confident69 Ų6949.9 Ų49.945%0.44832%0.32SS..PPolyproline II helixtrans-62.9134.517326.7-32.4000109.5F91P76-F91 HydrophobicContact CG-CD1 4.33Å; P76-F91 HydrophobicContact CG-CD2 4.06Å; P76-F91 HydrophobicContact CG-CE1 4.4Å; P76-F91 HydrophobicContact CG-CE2 4.14Å; P76-F91 HydrophobicContact CG-CG 4.15Å; P76-F91 HydrophobicContact CG-CZ 4.31Å
77Q70.4Confident73.8Confident82 Ų8250.8 Ų50.838%0.38333%0.325SS..PPolyproline II helixtrans-78.1125.4176.7-70.5174.5-35.600109.8E52 M75 G79E52-Q77 PolarHBondContact O-NE2 3.16Å; M75-Q77 PolarHBondContact O-N 3.43Å; Q77-G79 PolarHBondContact O-N 3.13Å
78S58.9Low73.1Confident89 Ų8954 Ų5462%0.62234%0.343SS*.  trans-82.6110.1159.3-80.20000107.8T80S78-T80 PolarHBondContact O-N 3.49Å
79G53.3Low72.4Confident75 Ų7555.3 Ų55.377%0.77336%0.359SS*.  trans-70.790.1-171.900000113.5Q77Q77-G79 PolarHBondContact O-N 3.13Å
80T50.7Low72Confident94 Ų9460.2 Ų60.258%0.57739%0.389SS*.SBendtrans-139.896157.639.60000109S78S78-T80 PolarHBondContact O-N 3.49Å
81G50.5Low71.7Confident60 Ų6060.7 Ų60.762%0.61939%0.389SS*.THydrogen-bonded Turntrans42.9102.5159.800000118.7S83G81-S83 PolarHBondContact O-N 3.08Å; G81-S83 PolarHBondContact O-OG 2.91Å; G81-S83 VanDerWaalsContact O-OG 3.12Å
82V50.7Low71.4Confident128 Ų12862.6 Ų62.678%0.77640%0.398SS*.THydrogen-bonded Turntrans60.8-1.8152.1-160.70000116.4
83S52.1Low71.1Confident34 Ų3464.9 Ų64.924%0.23842%0.417CS..SBendtrans-135.9144.8-176.555.50000110.4G81 E85G81-S83 PolarHBondContact O-N 3.08Å; G81-S83 PolarHBondContact O-OG 2.91Å; G81-S83 VanDerWaalsContact O-OG 3.12Å; S83-E85 PolarHBondContact O-N 2.94Å
84V55.5Low71.1Confident19 Ų1970.9 Ų70.912%0.11544%0.443CS..  trans-98.780.5-172.7-150.30000110.5M54M54-V84 HydrophobicContact CB-CB 4.41Å; M54-V84 HydrophobicContact CB-CG1 3.69Å; M54-V84 HydrophobicContact CB-CG2 4.4Å; M54-V84 HydrophobicContact CE-CB 3.35Å; M54-V84 HydrophobicContact CE-CG1 3.09Å; M54-V84 HydrophobicContact CE-CG2 4.32Å; M54-V84 HydrophobicContact CG-CB 4.41Å; M54-V84 HydrophobicContact CG-CG1 3.3Å; M54-V84 HydrophobicContact SD-CB 4.46Å; M54-V84 HydrophobicContact SD-CG1 3.57Å; M54-V84 VanDerWaalsContact SD-CG1 3.57Å
85E55.3Low71.1Confident140 Ų14071.4 Ų71.465%0.65444%0.439SS*.  trans-90.7-4.5-164.8-68.2-169.6146.100116S83S83-E85 PolarHBondContact O-N 2.94Å
86A57.1Low71.2Confident45 Ų4572.8 Ų72.837%0.37245%0.447SS..  trans-143.292.2-175.500000113.4D88A86-D88 PolarHBondContact O-N 3.47Å; A86-D88 VanDerWaalsContact O-N 3.13Å
87V65.8Low71.7Confident42 Ų4273.4 Ų73.426%0.25545%0.446SS..  trans-67.3104.4152.8-1790000106.1M54 M75 P89 F133M54-V87 HydrophobicContact CE-CG2 4.24Å; M54-V87 HydrophobicContact SD-CG2 3.89Å; M75-V87 HydrophobicContact CE-CG1 4.12Å; V87-P89 WeakPolarHBondContact O-CD 3.47Å; V87-F133 HydrophobicContact CG2-CE2 4.09Å; V87-F133 HydrophobicContact CG2-CZ 3.7Å
88D79.9Confident72.8Confident69 Ų6974.5 Ų74.537%0.36945%0.453SS..  trans-72.2108.9172.8177.44.9000109.1A86 V90 F91 Q92A86-D88 PolarHBondContact O-N 3.47Å; A86-D88 VanDerWaalsContact O-N 3.13Å; D88-V90 PolarHBondContact O-N 2.97Å; D88-V90 VanDerWaalsContact OD1-CB 3.27Å; D88-V90 WeakPolarHBondContact OD1-CB 3.37Å; D88-V90 PolarHBondContact OD1-N 3.21Å; D88-F91 HydrophobicContact CB-CB 3.92Å; D88-F91 PolarHBondContact O-N 3.04Å; D88-Q92 PolarHBondContact O-N 3.26Å
89P82.5Confident74.5Confident91 Ų9171.6 Ų71.659%0.59143%0.43SS*.Hα-helixtrans-64.5-26.1-178.828.4-35.2000111.8V87 A93V87-P89 WeakPolarHBondContact O-CD 3.47Å; P89-A93 VanDerWaalsContact O-CB 3.3Å; P89-A93 WeakPolarHBondContact O-CB 3.49Å; P89-A93 PolarHBondContact O-N 2.96Å
90V87.8Confident76.4Confident105 Ų10573.6 Ų73.664%0.63642%0.417SS*.Hα-helixtrans-69.7-45.8177.6-176.10000109.9D88 K94D88-V90 PolarHBondContact O-N 2.97Å; D88-V90 VanDerWaalsContact OD1-CB 3.27Å; D88-V90 WeakPolarHBondContact OD1-CB 3.37Å; D88-V90 PolarHBondContact OD1-N 3.21Å; V90-K94 VanDerWaalsContact O-CB 3.29Å; V90-K94 WeakPolarHBondContact O-CB 3.22Å; V90-K94 PolarHBondContact O-N 3.01Å
91F88.3Confident78.5Confident63 Ų6377 Ų7728%0.27643%0.427SS..Hα-helixtrans-62.2-45.9174.8-175.8-90.7000111.4F73 M75 P76 D88 K94 M95F73-F91 HydrophobicContact CD2-CE1 4.29Å; F73-F91 HydrophobicContact CE2-CE1 4.1Å; M75-F91 HydrophobicContact CE-CB 4.39Å; M75-F91 HydrophobicContact CE-CD1 3.7Å; M75-F91 HydrophobicContact CE-CE1 4.5Å; M75-F91 HydrophobicContact CE-CG 4.44Å; M75-F91 HydrophobicContact SD-CD1 3.59Å; M75-F91 VanDerWaalsContact SD-CD1 3.59Å; M75-F91 HydrophobicContact SD-CE1 3.88Å; P76-F91 HydrophobicContact CG-CD1 4.33Å; P76-F91 HydrophobicContact CG-CD2 4.06Å; P76-F91 HydrophobicContact CG-CE1 4.4Å; P76-F91 HydrophobicContact CG-CE2 4.14Å; P76-F91 HydrophobicContact CG-CG 4.15Å; P76-F91 HydrophobicContact CG-CZ 4.31Å; D88-F91 HydrophobicContact CB-CB 3.92Å; D88-F91 PolarHBondContact O-N 3.04Å; F91-K94 PolarHBondContact O-N 3.49Å; F91-M95 HydrophobicContact CE1-CE 3.92Å; F91-M95 HydrophobicContact CE2-CE 4.38Å; F91-M95 HydrophobicContact CZ-CE 3.55Å; F91-M95 VanDerWaalsContact O-CB 3.31Å; F91-M95 WeakPolarHBondContact O-CB 3.18Å; F91-M95 PolarHBondContact O-N 3.07Å
92Q88.3Confident80.5Confident45 Ų4578.9 Ų78.921%0.2143%0.426CS..Hα-helixtrans-58.8-51.6178.1177.2-179.1-20.700111.6L56 D88 K94 M95 L96L56-Q92 HydrophobicContact CD1-CB 4.26Å; L56-Q92 HydrophobicContact CD1-CG 3.67Å; D88-Q92 PolarHBondContact O-N 3.26Å; Q92-K94 PolarHBondContact O-N 3.44Å; Q92-M95 PolarHBondContact O-N 3.29Å; Q92-L96 HydrophobicContact CG-CD1 3.89Å; Q92-L96 HydrophobicContact CG-CG 4.43Å; Q92-L96 WeakPolarHBondContact O-CB 3.39Å; Q92-L96 VanDerWaalsContact O-CG 3.28Å; Q92-L96 WeakPolarHBondContact O-CG 3.21Å; Q92-L96 PolarHBondContact O-N 2.96Å
93A89.5Confident82.5Confident49 Ų4975.7 Ų75.741%0.40542%0.419SS..Hα-helixtrans-60.9-46.1-178.900000111.5P89 M95 L96 D97P89-A93 VanDerWaalsContact O-CB 3.3Å; P89-A93 WeakPolarHBondContact O-CB 3.49Å; P89-A93 PolarHBondContact O-N 2.96Å; A93-M95 PolarHBondContact O-N 3.5Å; A93-L96 PolarHBondContact O-N 3.45Å; A93-D97 PolarHBondContact O-N 3.44Å
94K93.1Very high84.4Confident144 Ų14478.4 Ų78.463%0.62642%0.424SS*.Hα-helixtrans-61.5-44.3177.9-175177.5179.7179.90112.1V90 F91 Q92 D97 M98V90-K94 VanDerWaalsContact O-CB 3.29Å; V90-K94 WeakPolarHBondContact O-CB 3.22Å; V90-K94 PolarHBondContact O-N 3.01Å; F91-K94 PolarHBondContact O-N 3.49Å; Q92-K94 PolarHBondContact O-N 3.44Å; K94-D97 PolarHBondContact O-N 3.46Å; K94-M98 VanDerWaalsContact O-CG 3.32Å; K94-M98 WeakPolarHBondContact O-CG 3.39Å; K94-M98 PolarHBondContact O-N 3.24Å
95M92.2Very high86.1Confident53 Ų5382.4 Ų82.426%0.26145%0.451SS..Hα-helixtrans-64.5-44.6178.6-176.466.476.900111.3F73 F91 Q92 A93 D97 M98 L99F73-M95 HydrophobicContact CD1-CG 4.32Å; F73-M95 HydrophobicContact CD2-CE 4.37Å; F73-M95 HydrophobicContact CD2-CG 3.82Å; F73-M95 HydrophobicContact CE1-CG 4.23Å; F73-M95 HydrophobicContact CE2-CB 4.09Å; F73-M95 HydrophobicContact CE2-CG 3.71Å; F73-M95 HydrophobicContact CG-CG 4.1Å; F73-M95 HydrophobicContact CZ-CB 4.25Å; F73-M95 HydrophobicContact CZ-CG 3.91Å; F91-M95 HydrophobicContact CE1-CE 3.92Å; F91-M95 HydrophobicContact CE2-CE 4.38Å; F91-M95 HydrophobicContact CZ-CE 3.55Å; F91-M95 VanDerWaalsContact O-CB 3.31Å; F91-M95 WeakPolarHBondContact O-CB 3.18Å; F91-M95 PolarHBondContact O-N 3.07Å; Q92-M95 PolarHBondContact O-N 3.29Å; A93-M95 PolarHBondContact O-N 3.5Å; M95-D97 VanDerWaalsContact C-N 3.32Å; M95-D97 PolarHBondContact O-N 2.75Å; M95-M98 PolarHBondContact O-N 3.34Å; M95-L99 HydrophobicContact CG-CD1 4.07Å; M95-L99 HydrophobicContact CG-CG 4.49Å; M95-L99 VanDerWaalsContact O-CG 3.31Å; M95-L99 WeakPolarHBondContact O-CG 3.37Å; M95-L99 PolarHBondContact O-N 3.43Å
96L91.1Very high87.9Confident33 Ų3378 Ų7817%0.17343%0.43CS..Hα-helixtrans-60.5-41.5177-72.6173.7000111.7L58 Q92 A93 L99 K100 V108L58-L96 HydrophobicContact CD2-CD2 3.66Å; Q92-L96 HydrophobicContact CG-CD1 3.89Å; Q92-L96 HydrophobicContact CG-CG 4.43Å; Q92-L96 WeakPolarHBondContact O-CB 3.39Å; Q92-L96 VanDerWaalsContact O-CG 3.28Å; Q92-L96 WeakPolarHBondContact O-CG 3.21Å; Q92-L96 PolarHBondContact O-N 2.96Å; A93-L96 PolarHBondContact O-N 3.45Å; L96-L99 PolarHBondContact O-N 2.89Å; L96-K100 WeakPolarHBondContact O-CG 3.35Å; L96-K100 PolarHBondContact O-N 2.97Å; L96-V108 HydrophobicContact CD1-CG2 4.21Å; L96-V108 HydrophobicContact CD2-CG2 4.25Å
97D93.3Very high89.5Confident82 Ų8280.6 Ų80.644%0.43944%0.436SS..Hα-helixtrans-68.3-36.4177.5-73.9-15.6000112.6A93 K94 M95 K100 Q101A93-D97 PolarHBondContact O-N 3.44Å; K94-D97 PolarHBondContact O-N 3.46Å; M95-D97 VanDerWaalsContact C-N 3.32Å; M95-D97 PolarHBondContact O-N 2.75Å; D97-K100 PolarHBondContact O-N 3.42Å; D97-K100 IonicContact OD1-NZ 3.07Å; D97-K100 PolarHBondContact OD1-NZ 2.85Å; D97-Q101 WeakPolarHBondContact O-CG 3.26Å; D97-Q101 PolarHBondContact O-N 3.27Å
98M93.9Very high90.8Very high105 Ų10579.9 Ų79.952%0.51743%0.431SS..Hα-helixtrans-64.6-41172-71.5-176.472.300111.8K94 M95 Q101 T102K94-M98 VanDerWaalsContact O-CG 3.32Å; K94-M98 WeakPolarHBondContact O-CG 3.39Å; K94-M98 PolarHBondContact O-N 3.24Å; M95-M98 PolarHBondContact O-N 3.34Å; M98-Q101 PolarHBondContact O-N 3.45Å; M98-T102 PolarHBondContact O-N 3.38Å
99L94.1Very high91.5Very high27 Ų2776.6 Ų76.614%0.14141%0.414CS..Hα-helixtrans-65.8-41.3177.8-71.4170.7000111.7L58 F73 M95 L96 Q101 T102 G103 R104L58-L99 HydrophobicContact CD1-CD1 3.39Å; F73-L99 HydrophobicContact CD1-CD1 4.31Å; F73-L99 HydrophobicContact CE1-CD1 4.48Å; M95-L99 HydrophobicContact CG-CD1 4.07Å; M95-L99 HydrophobicContact CG-CG 4.49Å; M95-L99 VanDerWaalsContact O-CG 3.31Å; M95-L99 WeakPolarHBondContact O-CG 3.37Å; M95-L99 PolarHBondContact O-N 3.43Å; L96-L99 PolarHBondContact O-N 2.89Å; L99-Q101 VanDerWaalsContact C-N 3.26Å; L99-Q101 PolarHBondContact O-N 3.48Å; L99-T102 WeakPolarHBondContact O-CA 3.23Å; L99-T102 PolarHBondContact O-N 3.13Å; L99-T102 PolarHBondContact O-OG1 2.95Å; L99-G103 PolarHBondContact O-N 2.99Å; L99-R104 CarbonylContact C-O 3.59Å; L99-R104 HydrophobicContact CB-CB 4.15Å; L99-R104 WeakPolarHBondContact O-CB 3.39Å; L99-R104 PolarHBondContact O-N 3.45Å
100K92.9Very high92.1Very high118 Ų11872.3 Ų72.351%0.51339%0.386SS..Hα-helixtrans-55.4-41.3173.8-75.2172.4-172.5165.60112.2L96 D97 T102 G103 R104L96-K100 WeakPolarHBondContact O-CG 3.35Å; L96-K100 PolarHBondContact O-N 2.97Å; D97-K100 PolarHBondContact O-N 3.42Å; D97-K100 IonicContact OD1-NZ 3.07Å; D97-K100 PolarHBondContact OD1-NZ 2.85Å; K100-T102 PolarHBondContact O-N 3.21Å; K100-G103 PolarHBondContact O-N 3.41Å; K100-G103 VanDerWaalsContact O-N 3.13Å; K100-R104 WeakPolarHBondContact CA-O 3.34Å; K100-R104 PolarHBondContact N-O 2.94Å
101Q94.2Very high92.4Very high166 Ų16667.3 Ų67.378%0.77636%0.356SS*.Hα-helixtrans-64.5-28.5176.9-67.617227.500113D97 M98 L99 G103D97-Q101 WeakPolarHBondContact O-CG 3.26Å; D97-Q101 PolarHBondContact O-N 3.27Å; M98-Q101 PolarHBondContact O-N 3.45Å; L99-Q101 VanDerWaalsContact C-N 3.26Å; L99-Q101 PolarHBondContact O-N 3.48Å; Q101-G103 PolarHBondContact O-N 2.99Å
102T93.6Very high92.7Very high98 Ų9864.5 Ų64.560%0.60134%0.344SS*.THydrogen-bonded Turntrans-83.26.9176660000114.2M98 L99 K100M98-T102 PolarHBondContact O-N 3.38Å; L99-T102 WeakPolarHBondContact O-CA 3.23Å; L99-T102 PolarHBondContact O-N 3.13Å; L99-T102 PolarHBondContact O-OG1 2.95Å; K100-T102 PolarHBondContact O-N 3.21Å
103G92.1Very high93Very high62 Ų6262.4 Ų62.464%0.63933%0.334SS*.THydrogen-bonded Turntrans80.624.5-17700000113.9L99 K100 Q101 P105L99-G103 PolarHBondContact O-N 2.99Å; K100-G103 PolarHBondContact O-N 3.41Å; K100-G103 VanDerWaalsContact O-N 3.13Å; Q101-G103 PolarHBondContact O-N 2.99Å; G103-P105 VanDerWaalsContact O-CD 3.31Å; G103-P105 WeakPolarHBondContact O-CD 3.49Å
104R92.6Very high93.1Very high91 Ų9160.1 Ų60.134%0.34332%0.315SS..  trans-113.584.5176.3-72.3-174.7-172.9-145.9-4.3110.5D71 L99 K100 E106D71-R104 VanDerWaalsContact CG-NH1 3.34Å; D71-R104 IonicContact OD2-CZ 2.71Å; D71-R104 IonicContact OD2-NH1 2.71Å; D71-R104 PolarHBondContact OD2-NH1 3.36Å; L99-R104 CarbonylContact C-O 3.59Å; L99-R104 HydrophobicContact CB-CB 4.15Å; L99-R104 WeakPolarHBondContact O-CB 3.39Å; L99-R104 PolarHBondContact O-N 3.45Å; K100-R104 WeakPolarHBondContact CA-O 3.34Å; K100-R104 PolarHBondContact N-O 2.94Å; R104-E106 WeakPolarHBondContact CA-OE2 3.47Å; R104-E106 WeakPolarHBondContact CB-OE2 3.46Å; R104-E106 PolarHBondContact O-N 3.13Å
105P91.2Very high93Very high103 Ų10353.3 Ų53.367%0.66929%0.285SS*.  trans-85.813.4-177.337.3-37.1000113.5G103G103-P105 VanDerWaalsContact O-CD 3.31Å; G103-P105 WeakPolarHBondContact O-CD 3.49Å
106E91.9Very high92.9Very high48 Ų4851.4 Ų51.422%0.22428%0.277CS..PPolyproline II helixtrans-62.8147.5-175.7-62.185.5169.400112.5L58 I70 R104L58-E106 HydrophobicContact CB-CB 4.14Å; I70-E106 HydrophobicContact CD1-CG 4.11Å; R104-E106 WeakPolarHBondContact CA-OE2 3.47Å; R104-E106 WeakPolarHBondContact CB-OE2 3.46Å; R104-E106 PolarHBondContact O-N 3.13Å
107M91.1Very high92.8Very high99 Ų9951.5 Ų51.549%0.48829%0.285SS..EExtended strand (participates in β ladder)trans-95163.6176.864.7-171-64.500111.3L58 G59 F61 V109L58-M107 WeakPolarHBondContact CA-O 3.24Å; G59-M107 PolarHBondContact N-O 2.98Å; G59-M107 PolarHBondContact O-N 3.37Å; F61-M107 HydrophobicContact CD2-CE 4.3Å; F61-M107 HydrophobicContact CD2-SD 4.18Å; F61-M107 HydrophobicContact CE2-CE 4.17Å; F61-M107 HydrophobicContact CE2-SD 4.5Å; M107-V109 HydrophobicContact CG-CG1 4.42Å; M107-V109 PolarHBondContact O-N 3.31Å
108V93.2Very high92.4Very high26 Ų2652.9 Ų52.916%0.15829%0.288CS..EExtended strand (participates in β ladder)trans-73.4119.3173.8-179.20000108.7L56 M57 L58 L96L56-V108 HydrophobicContact CD1-CG2 4.49Å; L56-V108 HydrophobicContact CD2-CG1 4.36Å; M57-V108 WeakPolarHBondContact O-CA 3.32Å; L58-V108 HydrophobicContact CD2-CG2 3.82Å; L96-V108 HydrophobicContact CD1-CG2 4.21Å; L96-V108 HydrophobicContact CD2-CG2 4.25Å
109V94.7Very high92.2Very high1 Ų148.3 Ų48.31%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-103-7.3179.4-64.60000112.8M57 G59 F61 V67 V69 M107 V141M57-V109 HydrophobicContact CB-CG2 4.05Å; M57-V109 PolarHBondContact O-N 3.31Å; G59-V109 VanDerWaalsContact C-CG1 3.49Å; F61-V109 HydrophobicContact CD2-CG1 4.2Å; F61-V109 HydrophobicContact CE1-CB 4.12Å; F61-V109 HydrophobicContact CE1-CG1 4.24Å; F61-V109 HydrophobicContact CE2-CB 4.27Å; F61-V109 HydrophobicContact CE2-CG1 3.86Å; F61-V109 HydrophobicContact CZ-CB 3.81Å; F61-V109 HydrophobicContact CZ-CG1 3.88Å; V67-V109 HydrophobicContact CG1-CB 4.06Å; V67-V109 HydrophobicContact CG1-CG2 4.3Å; V69-V109 HydrophobicContact CG2-CG2 3.99Å; M107-V109 HydrophobicContact CG-CG1 4.42Å; M107-V109 PolarHBondContact O-N 3.31Å; V109-V141 PolarHBondContact O-N 2.98Å
110G94.6Very high92.1Very high1 Ų147.2 Ų47.21%0.0126%0.262CS..EExtended strand (participates in β ladder)trans162.9-163.4179.200000111.8M57 V141M57-G110 PolarHBondContact N-O 3.36Å; G110-V141 VanDerWaalsContact CA-O 3.3Å; G110-V141 WeakPolarHBondContact CA-O 3.5Å
111W94.6Very high92.1Very high0 Ų043.2 Ų43.20%024%0.243CC..EExtended strand (participates in β ladder)trans-139.1157.3-179.866.5-71.4000110.1M54 G55 L56 M57 H113 D126 T129 Q130 F133 V141 A142 V143M54-W111 HydrophobicContact CE-CE3 4.31Å; M54-W111 HydrophobicContact CE-CZ3 4.38Å; G55-W111 WeakPolarHBondContact O-CA 3.38Å; L56-W111 HydrophobicContact CD2-CB 4.07Å; M57-W111 WeakPolarHBondContact CE-O 3.28Å; W111-H113 HydrophobicContact CE3-CB 4.3Å; W111-H113 AromaticContact CE3-ND1 3.77Å; W111-H113 AromaticContact CH2-CE1 3.64Å; W111-H113 AromaticContact CH2-ND1 3.3Å; W111-H113 VanDerWaalsContact CH2-ND1 3.3Å; W111-H113 WeakPolarHBondContact CH2-ND1 3.42Å; W111-H113 HydrophobicContact CZ3-CB 3.85Å; W111-H113 AromaticContact CZ3-CE1 3.86Å; W111-H113 AromaticContact CZ3-CG 3.64Å; W111-H113 AromaticContact CZ3-ND1 3.05Å; W111-H113 WeakPolarHBondContact CZ3-ND1 3.43Å; W111-D126 HydrophobicContact CH2-CB 4.07Å; W111-T129 HydrophobicContact CH2-CG2 4.04Å; W111-T129 HydrophobicContact CZ2-CG2 3.96Å; W111-T129 HydrophobicContact CZ3-CG2 4.34Å; W111-Q130 HydrophobicContact CZ2-CB 4.14Å; W111-F133 HydrophobicContact CB-CE2 4.16Å; W111-F133 HydrophobicContact CB-CZ 4.21Å; W111-F133 AromaticContact CD1-CD2 3.46Å; W111-F133 VanDerWaalsContact CD1-CD2 3.46Å; W111-F133 AromaticContact CD1-CE2 3.83Å; W111-F133 AromaticContact CD1-CG 3.87Å; W111-F133 HydrophobicContact CD2-CD2 4.4Å; W111-F133 HydrophobicContact CD2-CE2 4.23Å; W111-F133 AromaticContact CG-CD2 3.93Å; W111-F133 HydrophobicContact CG-CD2 3.93Å; W111-F133 AromaticContact CG-CE2 3.81Å; W111-F133 HydrophobicContact CG-CE2 3.81Å; W111-F133 HydrophobicContact CG-CZ 4.34Å; W111-F133 AromaticContact NE1-CD2 3.7Å; W111-V141 PolarHBondContact N-O 2.85Å; W111-V141 VanDerWaalsContact O-O 3.14Å; W111-A142 HydrophobicContact CZ2-CB 4.13Å; W111-A142 WeakPolarHBondContact O-CA 3.43Å; W111-V143 PolarHBondContact O-N 3.49Å
112Y95.3Very high92Very high4 Ų435.3 Ų35.32%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-128.3153.5174.176.9-81.5000110.1M41 H44 M54 G55 M57 V72 V143M41-Y112 HydrophobicContact CB-CD2 4.17Å; M41-Y112 HydrophobicContact CB-CE2 4.01Å; M41-Y112 HydrophobicContact CG-CD1 4.1Å; M41-Y112 HydrophobicContact CG-CD2 3.69Å; M41-Y112 HydrophobicContact CG-CE1 4.1Å; M41-Y112 HydrophobicContact CG-CE2 3.69Å; M41-Y112 HydrophobicContact CG-CG 3.9Å; M41-Y112 HydrophobicContact SD-CD1 4.21Å; M41-Y112 HydrophobicContact SD-CD2 4Å; M41-Y112 HydrophobicContact SD-CG 3.79Å; H44-Y112 AromaticContact ND1-CZ 3.79Å; H44-Y112 PolarHBondContact ND1-OH 3.09Å; M54-Y112 CarbonylContact C-O 3.55Å; M54-Y112 VanDerWaalsContact CA-O 3.22Å; M54-Y112 WeakPolarHBondContact CA-O 3.18Å; G55-Y112 VanDerWaalsContact C-CE1 3.49Å; G55-Y112 PolarHBondContact N-O 3.05Å; G55-Y112 WeakPolarHBondContact O-CD1 3.19Å; G55-Y112 PolarHBondContact O-N 3.32Å; M57-Y112 HydrophobicContact CG-CD1 3.99Å; V72-Y112 HydrophobicContact CB-CD1 4.39Å; V72-Y112 HydrophobicContact CB-CE1 3.84Å; V72-Y112 HydrophobicContact CG1-CD1 4.35Å; V72-Y112 HydrophobicContact CG1-CE1 4.27Å; V72-Y112 HydrophobicContact CG2-CE1 4.23Å; Y112-V143 CarbonylContact C-O 3.57Å; Y112-V143 WeakPolarHBondContact CA-O 3.32Å; Y112-V143 WeakPolarHBondContact CB-O 3.46Å
113H93.4Very high91.8Very high0 Ų032 Ų320%019%0.187CC..EExtended strand (participates in β ladder)trans-143.7170.6169.565.5-82.2000111.4V53 M54 W111 H115 D126 V143 V144 V145V53-H113 CarbonylContact O-C 3.5Å; V53-H113 WeakPolarHBondContact O-CA 3.27Å; V53-H113 VanDerWaalsContact O-CB 3.3Å; V53-H113 WeakPolarHBondContact O-CB 3.32Å; M54-H113 HydrophobicContact CB-CB 4.24Å; W111-H113 HydrophobicContact CE3-CB 4.3Å; W111-H113 AromaticContact CE3-ND1 3.77Å; W111-H113 AromaticContact CH2-CE1 3.64Å; W111-H113 AromaticContact CH2-ND1 3.3Å; W111-H113 VanDerWaalsContact CH2-ND1 3.3Å; W111-H113 WeakPolarHBondContact CH2-ND1 3.42Å; W111-H113 HydrophobicContact CZ3-CB 3.85Å; W111-H113 AromaticContact CZ3-CE1 3.86Å; W111-H113 AromaticContact CZ3-CG 3.64Å; W111-H113 AromaticContact CZ3-ND1 3.05Å; W111-H113 WeakPolarHBondContact CZ3-ND1 3.43Å; H113-H115 AromaticContact CD2-CD2 3.43Å; H113-H115 PolarHBondContact CD2-CD2 2.98Å; H113-H115 VanDerWaalsContact CD2-CD2 3.43Å; H113-H115 AromaticContact CD2-NE2 3.35Å; H113-H115 PolarHBondContact CD2-NE2 3.28Å; H113-H115 AromaticContact NE2-CD2 3.58Å; H113-H115 AromaticContact NE2-CE1 3.62Å; H113-H115 AromaticContact NE2-NE2 3.08Å; H113-H115 PolarHBondContact NE2-NE2 3.39Å; H113-D126 IonicContact CE1-OD1 3.68Å; H113-D126 IonicContact NE2-OD1 3.19Å; H113-D126 IonicContact NE2-OD2 3.68Å; H113-V143 PolarHBondContact N-O 3.3Å; H113-V144 WeakPolarHBondContact O-CA 3.47Å; H113-V145 PolarHBondContact O-N 3.21Å
114S92Very high91.7Very high2 Ų231.5 Ų31.51%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-111.1136179.166.40000112.2E52 V53 P116 V145E52-S114 VanDerWaalsContact CB-O 3.29Å; E52-S114 WeakPolarHBondContact CB-O 3.44Å; E52-S114 VanDerWaalsContact CG-O 3.24Å; E52-S114 WeakPolarHBondContact CG-O 3.26Å; V53-S114 WeakPolarHBondContact CG2-OG 3.35Å; V53-S114 PolarHBondContact N-OG 3.41Å; V53-S114 PolarHBondContact O-N 3.33Å; S114-P116 WeakPolarHBondContact O-CD 3.47Å; S114-V145 WeakPolarHBondContact CA-O 3.3Å
115H91.6Very high91.4Very high1 Ų130.1 Ų30.11%0.00518%0.184CC..  trans-112.792.9166.7-78-176.8000108.9E52 H113 G117 F118 G119 W121 D126 V144 V145E52-H115 IonicContact OE1-CD2 2.67Å; E52-H115 PolarHBondContact OE1-CD2 3.3Å; E52-H115 IonicContact OE1-NE2 2.67Å; E52-H115 IonicContact OE2-CD2 2.92Å; E52-H115 IonicContact OE2-NE2 3.95Å; H113-H115 AromaticContact CD2-CD2 3.43Å; H113-H115 PolarHBondContact CD2-CD2 2.98Å; H113-H115 VanDerWaalsContact CD2-CD2 3.43Å; H113-H115 AromaticContact CD2-NE2 3.35Å; H113-H115 PolarHBondContact CD2-NE2 3.28Å; H113-H115 AromaticContact NE2-CD2 3.58Å; H113-H115 AromaticContact NE2-CE1 3.62Å; H113-H115 AromaticContact NE2-NE2 3.08Å; H113-H115 PolarHBondContact NE2-NE2 3.39Å; H115-G117 PolarHBondContact O-N 3.28Å; H115-G117 VanDerWaalsContact O-N 3.07Å; H115-F118 HydrophobicContact CB-CB 4.36Å; H115-G119 WeakPolarHBondContact CB-O 3.23Å; H115-W121 PolarHBondContact CE1-O 3.33Å; H115-W121 PolarHBondContact ND1-O 3.12Å; H115-D126 IonicContact CE1-OD2 3.81Å; H115-D126 IonicContact NE2-OD2 3.64Å; H115-D126 PolarHBondContact NE2-OD2 3.35Å; H115-V144 HydrophobicContact CB-CG1 4.06Å; H115-V145 PolarHBondContact N-O 3.31Å; H115-V145 VanDerWaalsContact N-O 3.17Å
116P90.1Very high91.4Very high13 Ų1325.4 Ų25.48%0.08415%0.153CC..THydrogen-bonded Turntrans-71.1106.5-174.7-17.232000111.6V49 S114 F118 I148V49-P116 HydrophobicContact CG2-CB 4.21Å; V49-P116 HydrophobicContact CG2-CG 4.42Å; S114-P116 WeakPolarHBondContact O-CD 3.47Å; P116-F118 VanDerWaalsContact C-N 3.35Å; P116-F118 WeakPolarHBondContact O-CD2 3.33Å; P116-F118 PolarHBondContact O-N 3.19Å; P116-I148 HydrophobicContact CB-CD1 3.51Å; P116-I148 HydrophobicContact CB-CG1 3.94Å
117G87.6Confident91.3Very high34 Ų3424.7 Ų24.735%0.35115%0.15SC..THydrogen-bonded Turntrans85.3-4173.700000115.9H115 D146 Q149H115-G117 PolarHBondContact O-N 3.28Å; H115-G117 VanDerWaalsContact O-N 3.07Å; G117-D146 WeakPolarHBondContact CA-OD2 3.34Å; G117-D146 VanDerWaalsContact N-CG 3.34Å; G117-D146 PolarHBondContact N-OD1 2.8Å; G117-D146 PolarHBondContact N-OD2 3.25Å; G117-D146 VanDerWaalsContact N-OD2 3.13Å; G117-Q149 PolarHBondContact O-NE2 3.47Å
118F85.8Confident91.3Very high112 Ų11224.7 Ų24.749%0.49115%0.152SC..THydrogen-bonded Turntrans-96.5-3.5-179.8-59.4-74.1000113.8H115 P116 W121 Q190H115-F118 HydrophobicContact CB-CB 4.36Å; P116-F118 VanDerWaalsContact C-N 3.35Å; P116-F118 WeakPolarHBondContact O-CD2 3.33Å; P116-F118 PolarHBondContact O-N 3.19Å; F118-W121 HydrophobicContact CB-CZ2 4.35Å; F118-W121 PolarHBondContact O-NE1 3Å; F118-Q190 PolarHBondContact O-NE2 2.68Å; F118-Q190 PolarHBondContact O-OE1 3.22Å
119G89.2Confident91.1Very high8 Ų824.7 Ų24.78%0.08215%0.152CC..  trans74.1-176-171.100000113.2H115 D146H115-G119 WeakPolarHBondContact CB-O 3.23Å; G119-D146 PolarHBondContact N-OD2 3.23Å; G119-D146 VanDerWaalsContact N-OD2 3.1Å
120C92.3Very high90.9Very high4 Ų424.7 Ų24.73%0.02715%0.152CC..SBendtrans-99.2109.7-174.5-59.70000111.7V144 D158 F160C120-V144 HydrophobicContact CB-CB 4.1Å; C120-V144 HydrophobicContact CB-CG1 4.2Å; C120-V144 PolarHBondContact SG-O 3.48Å; C120-V144 VanDerWaalsContact SG-O 3.33Å; C120-D158 HydrophobicContact CB-CB 3.82Å; C120-F160 HydrophobicContact CB-CE2 4.17Å; C120-F160 HydrophobicContact CB-CZ 4.17Å
121W93.3Very high90.7Very high34 Ų3430.4 Ų30.413%0.12918%0.179CC..  trans-155.4171.8172.251-83.2000109.2H115 F118 A191 H194H115-W121 PolarHBondContact CE1-O 3.33Å; H115-W121 PolarHBondContact ND1-O 3.12Å; F118-W121 HydrophobicContact CB-CZ2 4.35Å; F118-W121 PolarHBondContact O-NE1 3Å; W121-A191 HydrophobicContact CB-CB 4.16Å; W121-H194 HydrophobicContact CB-CB 4.2Å; W121-H194 HydrophobicContact CD2-CB 4.08Å; W121-H194 AromaticContact CD2-CD2 3.71Å; W121-H194 AromaticContact CD2-CG 3.79Å; W121-H194 HydrophobicContact CE3-CB 3.7Å; W121-H194 AromaticContact CE3-CD2 3.85Å; W121-H194 AromaticContact CE3-CG 3.47Å; W121-H194 VanDerWaalsContact CE3-CG 3.47Å; W121-H194 AromaticContact CE3-ND1 3.67Å; W121-H194 HydrophobicContact CG-CB 4.29Å; W121-H194 AromaticContact CH2-CE1 3.94Å; W121-H194 HydrophobicContact CZ3-CB 4.47Å; W121-H194 AromaticContact CZ3-CE1 3.82Å; W121-H194 AromaticContact CZ3-CG 3.9Å; W121-H194 AromaticContact CZ3-ND1 3.59Å
122L91.6Very high90.5Very high1 Ų134.1 Ų34.11%0.00521%0.205CC..  trans-107.6127.6175.1-60.8-178.6000110.3D126 I127 A142 V144 F160 L162 Y200L122-D126 HydrophobicContact CB-CB 4.04Å; L122-D126 HydrophobicContact CD2-CB 3.98Å; L122-I127 HydrophobicContact CB-CG1 4.01Å; L122-A142 HydrophobicContact CD2-CB 4.19Å; L122-V144 HydrophobicContact CD2-CG2 3.83Å; L122-F160 HydrophobicContact CD1-CB 3.82Å; L122-F160 HydrophobicContact CD1-CG 4.43Å; L122-F160 HydrophobicContact CD2-CD2 4.03Å; L122-F160 HydrophobicContact CG-CB 4.18Å; L122-F160 HydrophobicContact CG-CD2 4Å; L122-F160 HydrophobicContact CG-CG 4.27Å; L122-L162 HydrophobicContact CD1-CD2 4.22Å; L122-Y200 HydrophobicContact CB-CD1 4.1Å; L122-Y200 HydrophobicContact CB-CE1 3.8Å; L122-Y200 HydrophobicContact CD1-CD1 4.07Å; L122-Y200 HydrophobicContact CD1-CD2 4.34Å; L122-Y200 HydrophobicContact CD1-CG 3.97Å; L122-Y200 HydrophobicContact CG-CD1 4.43Å; L122-Y200 HydrophobicContact CG-CD2 4.49Å; L122-Y200 HydrophobicContact CG-CE1 4.44Å; L122-Y200 HydrophobicContact CG-CE2 4.48Å; L122-Y200 HydrophobicContact CG-CG 4.47Å; L122-Y200 PolarHBondContact N-OH 3.48Å
123S90.3Very high90.2Very high28 Ų2834.9 Ų34.920%0.19621%0.208CC..  trans-75.3169.6170.575.90000112V125 D126 I127S123-V125 PolarHBondContact O-N 3.26Å; S123-V125 PolarHBondContact OG-N 3.4Å; S123-D126 WeakPolarHBondContact CB-OD2 3.47Å; S123-D126 PolarHBondContact N-OD2 2.77Å; S123-D126 PolarHBondContact O-N 2.88Å; S123-D126 VanDerWaalsContact O-N 3.11Å; S123-D126 PolarHBondContact OG-N 3.37Å; S123-D126 PolarHBondContact OG-OD2 3.42Å; S123-I127 VanDerWaalsContact O-CG1 3.3Å; S123-I127 WeakPolarHBondContact O-CG1 3.34Å; S123-I127 PolarHBondContact O-N 3.17Å
124G88.8Confident90.1Very high51 Ų5137 Ų3753%0.52622%0.218SC..Hα-helixtrans-58.7-32.5174.300000112.9N128G124-N128 PolarHBondContact O-N 3.45Å; G124-N128 PolarHBondContact O-ND2 3.11Å; G124-N128 VanDerWaalsContact O-ND2 3.15Å
125V87.6Confident89.9Confident62 Ų6241.3 Ų41.338%0.37625%0.254SS..Hα-helixtrans-70.3-44.3174.6-177.30000110.3S123 I127 N128 T129S123-V125 PolarHBondContact O-N 3.26Å; S123-V125 PolarHBondContact OG-N 3.4Å; V125-I127 VanDerWaalsContact C-N 3.29Å; V125-I127 PolarHBondContact O-N 3.37Å; V125-N128 PolarHBondContact O-N 3.16Å; V125-T129 PolarHBondContact O-N 2.95Å; V125-T129 PolarHBondContact O-OG1 2.87Å
126D90.9Very high89.7Confident4 Ų448.1 Ų48.12%0.02129%0.289CS..Hα-helixtrans-62.6-37.5178.6-57.8-45.8000112.1W111 H113 H115 L122 S123 T129 Q130W111-D126 HydrophobicContact CH2-CB 4.07Å; H113-D126 IonicContact CE1-OD1 3.68Å; H113-D126 IonicContact NE2-OD1 3.19Å; H113-D126 IonicContact NE2-OD2 3.68Å; H115-D126 IonicContact CE1-OD2 3.81Å; H115-D126 IonicContact NE2-OD2 3.64Å; H115-D126 PolarHBondContact NE2-OD2 3.35Å; L122-D126 HydrophobicContact CB-CB 4.04Å; L122-D126 HydrophobicContact CD2-CB 3.98Å; S123-D126 WeakPolarHBondContact CB-OD2 3.47Å; S123-D126 PolarHBondContact N-OD2 2.77Å; S123-D126 PolarHBondContact O-N 2.88Å; S123-D126 VanDerWaalsContact O-N 3.11Å; S123-D126 PolarHBondContact OG-N 3.37Å; S123-D126 PolarHBondContact OG-OD2 3.42Å; D126-T129 PolarHBondContact O-N 3.16Å; D126-Q130 VanDerWaalsContact O-CB 3.26Å; D126-Q130 WeakPolarHBondContact O-CB 3.47Å; D126-Q130 PolarHBondContact O-N 3.44Å
127I90.6Very high89.5Confident34 Ų3449.4 Ų49.417%0.17430%0.299CS..Hα-helixtrans-62.6-45.9175.5-68.1165.7000110.5L122 S123 V125 T129 Q130 Q131 L162 H199 Y200L122-I127 HydrophobicContact CB-CG1 4.01Å; S123-I127 VanDerWaalsContact O-CG1 3.3Å; S123-I127 WeakPolarHBondContact O-CG1 3.34Å; S123-I127 PolarHBondContact O-N 3.17Å; V125-I127 VanDerWaalsContact C-N 3.29Å; V125-I127 PolarHBondContact O-N 3.37Å; I127-T129 PolarHBondContact O-N 3.14Å; I127-Q130 PolarHBondContact O-N 3.31Å; I127-Q131 WeakPolarHBondContact O-CB 3.27Å; I127-Q131 PolarHBondContact O-N 3.18Å; I127-L162 HydrophobicContact CB-CD2 4.33Å; I127-L162 HydrophobicContact CG1-CD2 4.11Å; I127-L162 HydrophobicContact CG2-CD1 4.16Å; I127-L162 HydrophobicContact CG2-CD2 3.93Å; I127-H199 HydrophobicContact CD1-CB 4.15Å; I127-Y200 HydrophobicContact CD1-CD1 4.22Å; I127-Y200 HydrophobicContact CD1-CE1 4.18Å; I127-Y200 HydrophobicContact CG1-CD1 4.34Å
128N89.6Confident89.4Confident99 Ų9955.9 Ų55.953%0.52932%0.32SS..Hα-helixtrans-64.7-40.1178.2-70.1-31.4000112G124 V125 Q131 S132G124-N128 PolarHBondContact O-N 3.45Å; G124-N128 PolarHBondContact O-ND2 3.11Å; G124-N128 VanDerWaalsContact O-ND2 3.15Å; V125-N128 PolarHBondContact O-N 3.16Å; N128-Q131 PolarHBondContact O-N 3.35Å; N128-S132 PolarHBondContact O-N 2.96Å; N128-S132 PolarHBondContact O-OG 2.76Å; N128-S132 VanDerWaalsContact O-OG 3.07Å
129T88.7Confident89.6Confident26 Ų2652.8 Ų52.816%0.1631%0.305CS..Hα-helixtrans-64.2-46.8175.4-62.70000110.9W111 V125 D126 I127 Q131 S132 F133W111-T129 HydrophobicContact CH2-CG2 4.04Å; W111-T129 HydrophobicContact CZ2-CG2 3.96Å; W111-T129 HydrophobicContact CZ3-CG2 4.34Å; V125-T129 PolarHBondContact O-N 2.95Å; V125-T129 PolarHBondContact O-OG1 2.87Å; D126-T129 PolarHBondContact O-N 3.16Å; I127-T129 PolarHBondContact O-N 3.14Å; T129-Q131 VanDerWaalsContact C-N 3.33Å; T129-Q131 PolarHBondContact O-N 2.95Å; T129-S132 WeakPolarHBondContact O-CB 3.5Å; T129-S132 PolarHBondContact O-N 3.18Å; T129-S132 VanDerWaalsContact O-N 3.13Å; T129-F133 HydrophobicContact CG2-CD2 3.99Å; T129-F133 HydrophobicContact CG2-CE2 3.81Å; T129-F133 WeakPolarHBondContact O-CD2 3.35Å; T129-F133 PolarHBondContact O-N 3.01Å; T129-F133 VanDerWaalsContact O-N 3.13Å
130Q91.8Very high89.8Confident0 Ų052.6 Ų52.60%030%0.302CS..Hα-helixtrans-61.2-40.5176.6174.863.69.900111.7W111 D126 I127 S132 F133 E134 A140 A142 L162W111-Q130 HydrophobicContact CZ2-CB 4.14Å; D126-Q130 VanDerWaalsContact O-CB 3.26Å; D126-Q130 WeakPolarHBondContact O-CB 3.47Å; D126-Q130 PolarHBondContact O-N 3.44Å; I127-Q130 PolarHBondContact O-N 3.31Å; Q130-S132 PolarHBondContact O-N 3.39Å; Q130-F133 PolarHBondContact O-N 3.46Å; Q130-F133 VanDerWaalsContact O-N 3.1Å; Q130-E134 HydrophobicContact CG-CG 4.35Å; Q130-E134 PolarHBondContact NE2-OE1 2.92Å; Q130-E134 PolarHBondContact O-N 3.45Å; Q130-A140 PolarHBondContact NE2-O 3.47Å; Q130-A142 HydrophobicContact CG-CB 4.44Å; Q130-L162 HydrophobicContact CB-CD1 4.08Å; Q130-L162 HydrophobicContact CB-CD2 4.49Å; Q130-L162 HydrophobicContact CB-CG 4.24Å; Q130-L162 HydrophobicContact CG-CD1 3.78Å; Q130-L162 HydrophobicContact CG-CD2 4.11Å; Q130-L162 HydrophobicContact CG-CG 3.55Å
131Q90.4Very high89.9Confident121 Ų12152.4 Ų52.457%0.56530%0.301SS*.Hα-helixtrans-59.6-36.6176.1-172.9176.310.700111.9I127 N128 T129 E134 A135 L162I127-Q131 WeakPolarHBondContact O-CB 3.27Å; I127-Q131 PolarHBondContact O-N 3.18Å; N128-Q131 PolarHBondContact O-N 3.35Å; T129-Q131 VanDerWaalsContact C-N 3.33Å; T129-Q131 PolarHBondContact O-N 2.95Å; Q131-E134 PolarHBondContact O-N 3.37Å; Q131-A135 PolarHBondContact O-N 3.44Å; Q131-A135 VanDerWaalsContact O-N 3.1Å; Q131-L162 HydrophobicContact CB-CD1 3.94Å
132S89.6Confident89.9Confident78 Ų7850.8 Ų50.855%0.54530%0.295SS..Hα-helixtrans-67.7-38.9175.8-560000112N128 T129 Q130N128-S132 PolarHBondContact O-N 2.96Å; N128-S132 PolarHBondContact O-OG 2.76Å; N128-S132 VanDerWaalsContact O-OG 3.07Å; T129-S132 WeakPolarHBondContact O-CB 3.5Å; T129-S132 PolarHBondContact O-N 3.18Å; T129-S132 VanDerWaalsContact O-N 3.13Å; Q130-S132 PolarHBondContact O-N 3.39Å
133F89.8Confident90.1Very high21 Ų2150.8 Ų50.89%0.09230%0.295CS..Hα-helixtrans-69.7-38.2174-81.7-73.9000112.8L56 V87 W111 T129 Q130 A135 L136 S137 A140L56-F133 HydrophobicContact CD2-CE1 3.85Å; L56-F133 HydrophobicContact CD2-CZ 3.73Å; V87-F133 HydrophobicContact CG2-CE2 4.09Å; V87-F133 HydrophobicContact CG2-CZ 3.7Å; W111-F133 HydrophobicContact CB-CE2 4.16Å; W111-F133 HydrophobicContact CB-CZ 4.21Å; W111-F133 AromaticContact CD1-CD2 3.46Å; W111-F133 VanDerWaalsContact CD1-CD2 3.46Å; W111-F133 AromaticContact CD1-CE2 3.83Å; W111-F133 AromaticContact CD1-CG 3.87Å; W111-F133 HydrophobicContact CD2-CD2 4.4Å; W111-F133 HydrophobicContact CD2-CE2 4.23Å; W111-F133 AromaticContact CG-CD2 3.93Å; W111-F133 HydrophobicContact CG-CD2 3.93Å; W111-F133 AromaticContact CG-CE2 3.81Å; W111-F133 HydrophobicContact CG-CE2 3.81Å; W111-F133 HydrophobicContact CG-CZ 4.34Å; W111-F133 AromaticContact NE1-CD2 3.7Å; T129-F133 HydrophobicContact CG2-CD2 3.99Å; T129-F133 HydrophobicContact CG2-CE2 3.81Å; T129-F133 WeakPolarHBondContact O-CD2 3.35Å; T129-F133 PolarHBondContact O-N 3.01Å; T129-F133 VanDerWaalsContact O-N 3.13Å; Q130-F133 PolarHBondContact O-N 3.46Å; Q130-F133 VanDerWaalsContact O-N 3.1Å; F133-A135 VanDerWaalsContact C-N 3.28Å; F133-A135 PolarHBondContact O-N 2.77Å; F133-L136 PolarHBondContact O-N 3.06Å; F133-L136 VanDerWaalsContact O-N 3.13Å; F133-S137 PolarHBondContact O-N 3.17Å; F133-A140 HydrophobicContact CB-CB 4.03Å
134E89.9Confident90.4Very high45 Ų4549.4 Ų49.421%0.2129%0.286CS..Hα-helixtrans-65.7-30.6176.4-75.4-178.7-167.600112.4Q130 Q131 L136 S137 E138 A140 R161 L162Q130-E134 HydrophobicContact CG-CG 4.35Å; Q130-E134 PolarHBondContact NE2-OE1 2.92Å; Q130-E134 PolarHBondContact O-N 3.45Å; Q131-E134 PolarHBondContact O-N 3.37Å; E134-L136 VanDerWaalsContact C-N 3.27Å; E134-L136 PolarHBondContact O-N 2.89Å; E134-S137 WeakPolarHBondContact CA-O 3.46Å; E134-S137 CarbonylContact O-C 3.57Å; E134-S137 PolarHBondContact O-N 3.1Å; E134-E138 WeakPolarHBondContact O-CA 3.47Å; E134-E138 PolarHBondContact O-N 3.3Å; E134-A140 HydrophobicContact CG-CB 4.32Å; E134-R161 WeakPolarHBondContact OE1-CG 3.38Å; E134-L162 WeakPolarHBondContact OE1-CB 3.35Å; E134-L162 PolarHBondContact OE1-N 3.46Å
135A88.5Confident90.6Very high92 Ų9247.1 Ų47.176%0.7626%0.261SS*.Hα-helixtrans-65.9-28.817300000113.3Q131 F133Q131-A135 PolarHBondContact O-N 3.44Å; Q131-A135 VanDerWaalsContact O-N 3.1Å; F133-A135 VanDerWaalsContact C-N 3.28Å; F133-A135 PolarHBondContact O-N 2.77Å
136L86.8Confident90.9Very high143 Ų14344.1 Ų44.175%0.74924%0.243SC*.Hα-helixtrans-85.6-35.8174.9-71163000111.9F133 E134F133-L136 PolarHBondContact O-N 3.06Å; F133-L136 VanDerWaalsContact O-N 3.13Å; E134-L136 VanDerWaalsContact C-N 3.27Å; E134-L136 PolarHBondContact O-N 2.89Å
137S86.3Confident90.9Very high41 Ų4144.3 Ų44.329%0.28725%0.245SC..  trans-148.9105.8-178.4-680000109.1F133 E134 R139 A140F133-S137 PolarHBondContact O-N 3.17Å; E134-S137 WeakPolarHBondContact CA-O 3.46Å; E134-S137 CarbonylContact O-C 3.57Å; E134-S137 PolarHBondContact O-N 3.1Å; S137-R139 PolarHBondContact O-N 3.39Å; S137-A140 VanDerWaalsContact O-CB 3.26Å; S137-A140 WeakPolarHBondContact O-CB 3.34Å; S137-A140 PolarHBondContact O-N 3.14Å
138E86.8Confident90.9Very high170 Ų17046.5 Ų46.579%0.79426%0.256SS*.THydrogen-bonded Turntrans-52.6-28.6-175.6-174.8176-174.300113.3E134E134-E138 WeakPolarHBondContact O-CA 3.47Å; E134-E138 PolarHBondContact O-N 3.3Å
139R89.6Confident90.9Very high47 Ų4746.2 Ų46.218%0.17725%0.251CS..THydrogen-bonded Turntrans-9612.5-178.7-62.4-174.863.2-156.7-2.9114.7E29 F61 D63 D64 S137 V141 R161E29-R139 IonicContact OE1-NH2 3.16Å; F61-R139 HydrophobicContact CD1-CB 4.16Å; F61-R139 HydrophobicContact CE1-CB 3.63Å; F61-R139 HydrophobicContact CZ-CB 4.05Å; D63-R139 PolarHBondContact O-NH1 3.29Å; D63-R139 PolarHBondContact O-NH2 2.78Å; D64-R139 VanDerWaalsContact C-NH2 3.27Å; D64-R139 PolarHBondContact O-NH2 3.44Å; S137-R139 PolarHBondContact O-N 3.39Å; R139-V141 PolarHBondContact O-N 3.18Å; R139-R161 PolarHBondContact O-NH2 2.62Å
140A92.3Very high91Very high3 Ų346.1 Ų46.13%0.02525%0.252CS..  trans-54.8134.6177.400000111Q130 F133 E134 S137 R161Q130-A140 PolarHBondContact NE2-O 3.47Å; F133-A140 HydrophobicContact CB-CB 4.03Å; E134-A140 HydrophobicContact CG-CB 4.32Å; S137-A140 VanDerWaalsContact O-CB 3.26Å; S137-A140 WeakPolarHBondContact O-CB 3.34Å; S137-A140 PolarHBondContact O-N 3.14Å; A140-R161 PolarHBondContact O-NE 3.36Å
141V94.1Very high90.7Very high1 Ų150.7 Ų50.71%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-109.8134.5178.2-178.20000109.7V31 M57 V67 V109 G110 W111 R139 V143 A159 I203V31-V141 HydrophobicContact CG2-CG1 4.13Å; V31-V141 HydrophobicContact CG2-CG2 4.33Å; M57-V141 HydrophobicContact CE-CB 4.19Å; M57-V141 HydrophobicContact CE-CG1 4.45Å; M57-V141 WeakPolarHBondContact CE-O 3.23Å; V67-V141 HydrophobicContact CG1-CG2 4.36Å; V67-V141 HydrophobicContact CG2-CG2 4.16Å; V109-V141 PolarHBondContact O-N 2.98Å; G110-V141 VanDerWaalsContact CA-O 3.3Å; G110-V141 WeakPolarHBondContact CA-O 3.5Å; W111-V141 PolarHBondContact N-O 2.85Å; W111-V141 VanDerWaalsContact O-O 3.14Å; R139-V141 PolarHBondContact O-N 3.18Å; V141-V143 HydrophobicContact CG1-CG2 4.09Å; V141-A159 HydrophobicContact CG1-CB 3.83Å; V141-I203 HydrophobicContact CG1-CD1 4.49Å; V141-I203 HydrophobicContact CG2-CD1 4.4Å
142A95Very high90.1Very high0 Ų055.1 Ų55.10%030%0.297CS..EExtended strand (participates in β ladder)trans-96.7118.9169.100000109.8W111 L122 Q130 A159 F160W111-A142 HydrophobicContact CZ2-CB 4.13Å; W111-A142 WeakPolarHBondContact O-CA 3.43Å; L122-A142 HydrophobicContact CD2-CB 4.19Å; Q130-A142 HydrophobicContact CG-CB 4.44Å; A142-A159 CarbonylContact O-C 3.42Å; A142-A159 WeakPolarHBondContact O-CA 3.45Å; A142-F160 PolarHBondContact N-O 2.89Å; A142-F160 PolarHBondContact O-N 3.45Å
143V95.8Very high89.6Confident0 Ų055.7 Ų55.70%032%0.315CS..EExtended strand (participates in β ladder)trans-106.3130176.61720000110.4M41 M57 W111 Y112 H113 V141 V145 I157 A159M41-V143 HydrophobicContact SD-CG1 4.2Å; M57-V143 HydrophobicContact CE-CB 4.14Å; M57-V143 HydrophobicContact CE-CG2 3.54Å; M57-V143 HydrophobicContact SD-CB 4Å; M57-V143 HydrophobicContact SD-CG2 3.61Å; W111-V143 PolarHBondContact O-N 3.49Å; Y112-V143 CarbonylContact C-O 3.57Å; Y112-V143 WeakPolarHBondContact CA-O 3.32Å; Y112-V143 WeakPolarHBondContact CB-O 3.46Å; H113-V143 PolarHBondContact N-O 3.3Å; V141-V143 HydrophobicContact CG1-CG2 4.09Å; V143-V145 HydrophobicContact CG1-CG2 4.13Å; V143-I157 HydrophobicContact CG1-CD1 3.76Å; V143-I157 HydrophobicContact CG1-CG1 3.81Å; V143-A159 HydrophobicContact CG2-CB 4.06Å
144V94.8Very high89.4Confident0 Ų061.5 Ų61.50%034%0.34CS..EExtended strand (participates in β ladder)trans-113.3126.3178.5-170.80000109.4H113 H115 C120 L122 I157 D158 F160H113-V144 WeakPolarHBondContact O-CA 3.47Å; H115-V144 HydrophobicContact CB-CG1 4.06Å; C120-V144 HydrophobicContact CB-CB 4.1Å; C120-V144 HydrophobicContact CB-CG1 4.2Å; C120-V144 PolarHBondContact SG-O 3.48Å; C120-V144 VanDerWaalsContact SG-O 3.33Å; L122-V144 HydrophobicContact CD2-CG2 3.83Å; V144-I157 WeakPolarHBondContact O-CA 3.44Å; V144-D158 PolarHBondContact N-O 3.31Å; V144-D158 PolarHBondContact O-N 3.37Å; V144-D158 VanDerWaalsContact O-N 3.16Å; V144-F160 HydrophobicContact CB-CE2 4.15Å; V144-F160 HydrophobicContact CG2-CD2 3.77Å; V144-F160 HydrophobicContact CG2-CE2 3.71Å
145V94.4Very high89.5Confident2 Ų262 Ų621%0.01235%0.346CS..EExtended strand (participates in β ladder)trans-118.3128.8179.8-1760000110.2M41 L42 H113 S114 H115 V143 P147 I157M41-V145 HydrophobicContact CB-CG2 4.31Å; M41-V145 HydrophobicContact SD-CG2 4.33Å; L42-V145 HydrophobicContact CD2-CG1 3.74Å; H113-V145 PolarHBondContact O-N 3.21Å; S114-V145 WeakPolarHBondContact CA-O 3.3Å; H115-V145 PolarHBondContact N-O 3.31Å; H115-V145 VanDerWaalsContact N-O 3.17Å; V143-V145 HydrophobicContact CG1-CG2 4.13Å; V145-P147 VanDerWaalsContact O-CD 3.27Å; V145-P147 WeakPolarHBondContact O-CD 3.49Å; V145-I157 HydrophobicContact CG2-CD1 3.91Å; V145-I157 HydrophobicContact CG2-CG1 3.96Å
146D93.9Very high89.7Confident0 Ų058.6 Ų58.60%032%0.316CS..  trans-102.8100.9171.3-171.3-26.2000110.5G117 G119 I148 Q149 S150 V156G117-D146 WeakPolarHBondContact CA-OD2 3.34Å; G117-D146 VanDerWaalsContact N-CG 3.34Å; G117-D146 PolarHBondContact N-OD1 2.8Å; G117-D146 PolarHBondContact N-OD2 3.25Å; G117-D146 VanDerWaalsContact N-OD2 3.13Å; G119-D146 PolarHBondContact N-OD2 3.23Å; G119-D146 VanDerWaalsContact N-OD2 3.1Å; D146-I148 PolarHBondContact O-N 2.88Å; D146-I148 WeakPolarHBondContact OD1-CA 3.35Å; D146-I148 WeakPolarHBondContact OD1-CB 3.24Å; D146-I148 PolarHBondContact OD1-N 2.85Å; D146-Q149 HydrophobicContact CB-CB 4.39Å; D146-Q149 PolarHBondContact OD1-N 3.01Å; D146-Q149 VanDerWaalsContact OD2-CD 3.29Å; D146-Q149 VanDerWaalsContact OD2-CG 3.23Å; D146-Q149 WeakPolarHBondContact OD2-CG 3.28Å; D146-S150 WeakPolarHBondContact O-CB 3.45Å; D146-S150 PolarHBondContact O-N 3.04Å; D146-S150 VanDerWaalsContact O-N 3.13Å; D146-S150 PolarHBondContact O-OG 2.75Å; D146-V156 HydrophobicContact CB-CB 4.23Å; D146-V156 HydrophobicContact CB-CG1 4.04Å; D146-V156 PolarHBondContact N-O 3.05Å; D146-V156 VanDerWaalsContact N-O 3.11Å
147P91Very high90Very high8 Ų852.4 Ų52.45%0.05228%0.284CS..THydrogen-bonded Turntrans-76.8-5.9-178.433.6-38.1000113.8R46 V49 V145R46-P147 HydrophobicContact CB-CB 4.34Å; R46-P147 PolarHBondContact NH1-O 3.4Å; R46-P147 VanDerWaalsContact NH1-O 3.11Å; V49-P147 HydrophobicContact CG2-CG 4.06Å; V145-P147 VanDerWaalsContact O-CD 3.27Å; V145-P147 WeakPolarHBondContact O-CD 3.49Å
148I90.5Very high90.3Very high79 Ų7952.8 Ų52.841%0.40528%0.283SS..THydrogen-bonded Turntrans-93.5-49.3178.3-60.3-174.5000109.7V49 P116 D146 S150V49-I148 HydrophobicContact CG1-CD1 4.1Å; V49-I148 HydrophobicContact CG2-CG1 4.41Å; P116-I148 HydrophobicContact CB-CD1 3.51Å; P116-I148 HydrophobicContact CB-CG1 3.94Å; D146-I148 PolarHBondContact O-N 2.88Å; D146-I148 WeakPolarHBondContact OD1-CA 3.35Å; D146-I148 WeakPolarHBondContact OD1-CB 3.24Å; D146-I148 PolarHBondContact OD1-N 2.85Å; I148-S150 VanDerWaalsContact C-N 3.31Å
149Q89Confident90.7Very high93 Ų9344.7 Ų44.744%0.43525%0.245SC..THydrogen-bonded Turntrans-75.4-21.1178.3-64.5-173.715.300113G117 D146 V151 V156G117-Q149 PolarHBondContact O-NE2 3.47Å; D146-Q149 HydrophobicContact CB-CB 4.39Å; D146-Q149 PolarHBondContact OD1-N 3.01Å; D146-Q149 VanDerWaalsContact OD2-CD 3.29Å; D146-Q149 VanDerWaalsContact OD2-CG 3.23Å; D146-Q149 WeakPolarHBondContact OD2-CG 3.28Å; Q149-V151 PolarHBondContact O-N 3.21Å; Q149-V156 HydrophobicContact CB-CB 4.47Å; Q149-V156 HydrophobicContact CB-CG2 3.99Å
150S90Very high90.9Very high24 Ų2442.6 Ų42.617%0.16824%0.237CC..  trans-66.9114.1173.4-67.80000111.3D146 I148 K154 V156D146-S150 WeakPolarHBondContact O-CB 3.45Å; D146-S150 PolarHBondContact O-N 3.04Å; D146-S150 VanDerWaalsContact O-N 3.13Å; D146-S150 PolarHBondContact O-OG 2.75Å; I148-S150 VanDerWaalsContact C-N 3.31Å; S150-K154 WeakPolarHBondContact CA-O 3.36Å; S150-V156 PolarHBondContact OG-N 3.4Å
151V85.9Confident90.9Very high96 Ų9643 Ų4358%0.58224%0.238SC*.BIsolated β-bridgetrans-120.1166.1178.4-65.80000110.8Q149 G153 K154Q149-V151 PolarHBondContact O-N 3.21Å; V151-G153 PolarHBondContact O-N 2.99Å; V151-K154 PolarHBondContact N-O 2.59Å; V151-K154 CarbonylContact O-C 3.57Å; V151-K154 PolarHBondContact O-N 3.04Å
152K77.7Confident90.7Very high214 Ų21443.9 Ų43.993%0.9324%0.243SC*.THydrogen-bonded Turntrans-55117.9174.3-69.8-176.2179.6178.20109.3
153G79.6Confident90.4Very high91 Ų9144.8 Ų44.894%0.93825%0.247SC*.THydrogen-bonded Turntrans105.6-21.8-178.600000115V151V151-G153 PolarHBondContact O-N 2.99Å
154K86.7Confident89.8Confident142 Ų14249.2 Ų49.262%0.61727%0.271SS*.BIsolated β-bridgetrans-143.8113175.8-173.6-176.7178.5-172.90110.8S150 V151S150-K154 WeakPolarHBondContact CA-O 3.36Å; V151-K154 PolarHBondContact N-O 2.59Å; V151-K154 CarbonylContact O-C 3.57Å; V151-K154 PolarHBondContact O-N 3.04Å
155V90.3Very high89Confident55 Ų5552 Ų5233%0.33329%0.294SS..  trans-91.3124.1169.4-177.60000108L38 L42 I157L38-V155 HydrophobicContact CD1-CG1 4.35Å; L42-V155 HydrophobicContact CD1-CG1 4.31Å; L42-V155 HydrophobicContact CD1-CG2 4.42Å; L42-V155 HydrophobicContact CD2-CG1 4.12Å; V155-I157 HydrophobicContact CG1-CB 4.31Å; V155-I157 HydrophobicContact CG1-CG2 3.98Å; V155-I157 PolarHBondContact O-N 2.83Å
156V92.6Very high88.2Confident21 Ų2157.3 Ų57.313%0.12732%0.322CS..  trans-90.2102.1177-178.60000107.4D146 Q149 S150D146-V156 HydrophobicContact CB-CB 4.23Å; D146-V156 HydrophobicContact CB-CG1 4.04Å; D146-V156 PolarHBondContact N-O 3.05Å; D146-V156 VanDerWaalsContact N-O 3.11Å; Q149-V156 HydrophobicContact CB-CB 4.47Å; Q149-V156 HydrophobicContact CB-CG2 3.99Å; S150-V156 PolarHBondContact OG-N 3.4Å
157I93.6Very high87.3Confident14 Ų1461 Ų617%0.07234%0.34CS..EExtended strand (participates in β ladder)trans-149.3133.3-177.8-177.3173.6000108.7I33 L38 M41 V143 V144 V145 V155 I205 Y207I33-I157 HydrophobicContact CD1-CD1 3.9Å; L38-I157 HydrophobicContact CD1-CD1 4.04Å; M41-I157 HydrophobicContact CE-CD1 4.23Å; V143-I157 HydrophobicContact CG1-CD1 3.76Å; V143-I157 HydrophobicContact CG1-CG1 3.81Å; V144-I157 WeakPolarHBondContact O-CA 3.44Å; V145-I157 HydrophobicContact CG2-CD1 3.91Å; V145-I157 HydrophobicContact CG2-CG1 3.96Å; V155-I157 HydrophobicContact CG1-CB 4.31Å; V155-I157 HydrophobicContact CG1-CG2 3.98Å; V155-I157 PolarHBondContact O-N 2.83Å; I157-I205 HydrophobicContact CD1-CD1 4.2Å; I157-I205 HydrophobicContact CG1-CD1 3.76Å; I157-I205 HydrophobicContact CG2-CD1 4.34Å; I157-Y207 WeakPolarHBondContact CG2-OH 3.17Å
158D93.9Very high86.5Confident49 Ų4964 Ų6426%0.26236%0.355SS..EExtended strand (participates in β ladder)trans-136.5154.6172.7-79-50.5000110.1C120 V144 F160C120-D158 HydrophobicContact CB-CB 3.82Å; V144-D158 PolarHBondContact N-O 3.31Å; V144-D158 PolarHBondContact O-N 3.37Å; V144-D158 VanDerWaalsContact O-N 3.16Å; D158-F160 HydrophobicContact CB-CE1 4.13Å; D158-F160 HydrophobicContact CB-CE2 3.84Å; D158-F160 HydrophobicContact CB-CZ 3.5Å; D158-F160 VanDerWaalsContact CB-CZ 3.5Å
159A93.8Very high85.9Confident0 Ų066.6 Ų66.60%037%0.374CS..EExtended strand (participates in β ladder)trans-115.9138.9176.100000108.9V31 V141 A142 V143 S202 I203 I205V31-A159 HydrophobicContact CG2-CB 4.23Å; V141-A159 HydrophobicContact CG1-CB 3.83Å; A142-A159 CarbonylContact O-C 3.42Å; A142-A159 WeakPolarHBondContact O-CA 3.45Å; V143-A159 HydrophobicContact CG2-CB 4.06Å; A159-S202 WeakPolarHBondContact O-CA 3.4Å; A159-I203 HydrophobicContact CB-CB 4.22Å; A159-I203 PolarHBondContact O-N 3Å; A159-I205 HydrophobicContact CB-CD1 3.86Å; A159-I205 HydrophobicContact CB-CG1 3.77Å
160F93.4Very high85.4Confident2 Ų268 Ų681%0.00938%0.384CS..EExtended strand (participates in β ladder)trans-132.1153.4-176.9-55.3-69.6000111.2C120 L122 A142 V144 D158 L196 Y200 Y201C120-F160 HydrophobicContact CB-CE2 4.17Å; C120-F160 HydrophobicContact CB-CZ 4.17Å; L122-F160 HydrophobicContact CD1-CB 3.82Å; L122-F160 HydrophobicContact CD1-CG 4.43Å; L122-F160 HydrophobicContact CD2-CD2 4.03Å; L122-F160 HydrophobicContact CG-CB 4.18Å; L122-F160 HydrophobicContact CG-CD2 4Å; L122-F160 HydrophobicContact CG-CG 4.27Å; A142-F160 PolarHBondContact N-O 2.89Å; A142-F160 PolarHBondContact O-N 3.45Å; V144-F160 HydrophobicContact CB-CE2 4.15Å; V144-F160 HydrophobicContact CG2-CD2 3.77Å; V144-F160 HydrophobicContact CG2-CE2 3.71Å; D158-F160 HydrophobicContact CB-CE1 4.13Å; D158-F160 HydrophobicContact CB-CE2 3.84Å; D158-F160 HydrophobicContact CB-CZ 3.5Å; D158-F160 VanDerWaalsContact CB-CZ 3.5Å; F160-L196 HydrophobicContact CD1-CD1 4.09Å; F160-L196 HydrophobicContact CE1-CD1 3.93Å; F160-Y200 HydrophobicContact CB-CD2 4.25Å; F160-Y200 AromaticContact CD1-CD2 3.76Å; F160-Y200 HydrophobicContact CD1-CD2 3.76Å; F160-Y200 HydrophobicContact CD1-CE2 4.04Å; F160-Y200 HydrophobicContact CE1-CD2 4.39Å; F160-Y200 HydrophobicContact CE1-CE2 4.24Å; F160-Y200 HydrophobicContact CG-CD2 4.09Å; F160-Y200 HydrophobicContact CG-CE2 4.44Å; F160-Y201 VanDerWaalsContact CA-O 3.3Å; F160-Y201 WeakPolarHBondContact CA-O 3.25Å
161R92.2Very high84.6Confident12 Ų1270 Ų705%0.04541%0.408CS..EExtended strand (participates in β ladder)trans-138.9149.2166.1-172.8179.5-64.61471.3109.5E29 E134 R139 A140 Y200 Y201 I203E29-R161 VanDerWaalsContact CD-NH1 3.28Å; E29-R161 IonicContact OE1-CZ 3.46Å; E29-R161 VanDerWaalsContact OE1-CZ 3.31Å; E29-R161 IonicContact OE1-NH1 3.64Å; E29-R161 PolarHBondContact OE1-NH1 3.26Å; E29-R161 IonicContact OE1-NH2 3.46Å; E29-R161 PolarHBondContact OE1-NH2 3.28Å; E29-R161 IonicContact OE2-CZ 2.62Å; E29-R161 IonicContact OE2-NH1 3.31Å; E29-R161 PolarHBondContact OE2-NH1 3.14Å; E29-R161 IonicContact OE2-NH2 3.86Å; E134-R161 WeakPolarHBondContact OE1-CG 3.38Å; R139-R161 PolarHBondContact O-NH2 2.62Å; A140-R161 PolarHBondContact O-NE 3.36Å; R161-Y200 CarbonylContact O-C 3.34Å; R161-Y200 WeakPolarHBondContact O-CA 3.42Å; R161-Y200 WeakPolarHBondContact O-CB 3.32Å; R161-Y201 HydrophobicContact CB-CE1 4.11Å; R161-Y201 HydrophobicContact CB-CE2 4.18Å; R161-Y201 WeakPolarHBondContact CD-OH 3.43Å; R161-Y201 HydrophobicContact CG-CE1 4.49Å; R161-Y201 PolarHBondContact N-O 3.03Å; R161-Y201 PolarHBondContact NH1-OH 3.33Å; R161-Y201 PolarHBondContact O-N 3.31Å; R161-I203 HydrophobicContact CB-CD1 3.99Å
162L91.8Very high84.1Confident20 Ų2071.4 Ų71.411%0.10541%0.408CS..EExtended strand (participates in β ladder)trans-71.7156-179.6-56.4179.8000111.9L122 I127 Q130 Q131 E134 H199L122-L162 HydrophobicContact CD1-CD2 4.22Å; I127-L162 HydrophobicContact CB-CD2 4.33Å; I127-L162 HydrophobicContact CG1-CD2 4.11Å; I127-L162 HydrophobicContact CG2-CD1 4.16Å; I127-L162 HydrophobicContact CG2-CD2 3.93Å; Q130-L162 HydrophobicContact CB-CD1 4.08Å; Q130-L162 HydrophobicContact CB-CD2 4.49Å; Q130-L162 HydrophobicContact CB-CG 4.24Å; Q130-L162 HydrophobicContact CG-CD1 3.78Å; Q130-L162 HydrophobicContact CG-CD2 4.11Å; Q130-L162 HydrophobicContact CG-CG 3.55Å; Q131-L162 HydrophobicContact CB-CD1 3.94Å; E134-L162 WeakPolarHBondContact OE1-CB 3.35Å; E134-L162 PolarHBondContact OE1-N 3.46Å; L162-H199 WeakPolarHBondContact CA-O 2.98Å
163I88.5Confident83.8Confident18 Ų1868.8 Ų68.89%0.09240%0.399CS..  trans-100.9136.3168.6-63.3166.1000107.1A165 M168 P174 R198 H199 Y201I163-A165 PolarHBondContact O-N 3.27Å; I163-A165 VanDerWaalsContact O-N 3.1Å; I163-M168 HydrophobicContact CG2-CG 3.91Å; I163-P174 HydrophobicContact CB-CB 4.49Å; I163-P174 HydrophobicContact CD1-CB 4.45Å; I163-P174 HydrophobicContact CD1-CG 4.02Å; I163-P174 HydrophobicContact CG1-CB 4.26Å; I163-P174 HydrophobicContact CG1-CG 4.35Å; I163-P174 HydrophobicContact CG2-CB 3.49Å; I163-P174 VanDerWaalsContact CG2-CB 3.49Å; I163-P174 HydrophobicContact CG2-CG 4.08Å; I163-R198 WeakPolarHBondContact CD1-O 3.43Å; I163-H199 PolarHBondContact N-O 3.26Å; I163-Y201 HydrophobicContact CD1-CD1 4.26Å; I163-Y201 HydrophobicContact CG1-CD1 3.63Å; I163-Y201 HydrophobicContact CG1-CE1 4.33Å
164N82.1Confident83.4Confident93 Ų9366.6 Ų66.650%0.49737%0.368SS..  trans-64.5115.5173.6-168.3-34.2000109.9N166 M167N164-N166 PolarHBondContact O-N 3.21Å; N164-N166 VanDerWaalsContact O-N 3.13Å; N164-N166 WeakPolarHBondContact OD1-CB 3.31Å; N164-N166 PolarHBondContact OD1-N 2.8Å; N164-M167 HydrophobicContact CB-CG 4.13Å; N164-M167 HydrophobicContact CB-SD 4.23Å; N164-M167 WeakPolarHBondContact O-CB 3.4Å; N164-M167 PolarHBondContact O-N 2.99Å
165A77.6Confident83Confident59 Ų5961.1 Ų61.149%0.48834%0.344SS..Hα-helixtrans-57.4-30.4-177.700000112.8I163 M167 M168 V169I163-A165 PolarHBondContact O-N 3.27Å; I163-A165 VanDerWaalsContact O-N 3.1Å; A165-M167 VanDerWaalsContact C-N 3.32Å; A165-M167 PolarHBondContact O-N 3.25Å; A165-M168 PolarHBondContact O-N 3.49Å; A165-V169 WeakPolarHBondContact O-CG2 3.48Å; A165-V169 PolarHBondContact O-N 3.04Å
166N77.8Confident82.4Confident114 Ų11464.1 Ų64.161%0.6135%0.354SS*.Hα-helixtrans-64.7-38.1178.1-64.7-24.8000111.6N164 M168 V169 L170N164-N166 PolarHBondContact O-N 3.21Å; N164-N166 VanDerWaalsContact O-N 3.13Å; N164-N166 WeakPolarHBondContact OD1-CB 3.31Å; N164-N166 PolarHBondContact OD1-N 2.8Å; N166-M168 VanDerWaalsContact C-N 3.33Å; N166-M168 PolarHBondContact O-N 3.19Å; N166-V169 PolarHBondContact O-N 3.08Å; N166-L170 WeakPolarHBondContact O-CD1 3.29Å; N166-L170 PolarHBondContact O-N 3.27Å
167M75.3Confident81.7Confident77 Ų7766.8 Ų66.838%0.37937%0.371SS..Hα-helixtrans-66.9-35.4178.9-66.7-176.871.500112.1N164 A165 L170 G171 H172N164-M167 HydrophobicContact CB-CG 4.13Å; N164-M167 HydrophobicContact CB-SD 4.23Å; N164-M167 WeakPolarHBondContact O-CB 3.4Å; N164-M167 PolarHBondContact O-N 2.99Å; A165-M167 VanDerWaalsContact C-N 3.32Å; A165-M167 PolarHBondContact O-N 3.25Å; M167-L170 PolarHBondContact O-N 2.7Å; M167-G171 PolarHBondContact O-N 2.77Å; M167-H172 PolarHBondContact O-N 2.71Å
168M74.7Confident80.9Confident72 Ų7270.5 Ų70.536%0.35539%0.394SS..Hα-helixtrans-65.5-41.8175.4-69.6-168.579.900112.9I163 A165 N166 L170 G171 R198I163-M168 HydrophobicContact CG2-CG 3.91Å; A165-M168 PolarHBondContact O-N 3.49Å; N166-M168 VanDerWaalsContact C-N 3.33Å; N166-M168 PolarHBondContact O-N 3.19Å; M168-L170 PolarHBondContact O-N 3.02Å; M168-G171 PolarHBondContact O-N 2.82Å; M168-R198 HydrophobicContact CE-CB 3.92Å; M168-R198 HydrophobicContact CE-CG 4.31Å; M168-R198 VanDerWaalsContact SD-C 3.59Å
169V76.6Confident80Confident132 Ų13269.4 Ų69.480%0.839%0.39SS*.Hα-helixtrans-63.9-32.7178.9175.60000110.8A165 N166 G171A165-V169 WeakPolarHBondContact O-CG2 3.48Å; A165-V169 PolarHBondContact O-N 3.04Å; N166-V169 PolarHBondContact O-N 3.08Å; V169-G171 PolarHBondContact O-N 2.83Å
170L78.6Confident79.2Confident123 Ų12375.9 Ų75.964%0.64443%0.425SS*.THydrogen-bonded Turntrans-75.3-4.4173.8-74.5151.3000113.6N166 M167 M168 H172N166-L170 WeakPolarHBondContact O-CD1 3.29Å; N166-L170 PolarHBondContact O-N 3.27Å; M167-L170 PolarHBondContact O-N 2.7Å; M168-L170 PolarHBondContact O-N 3.02Å; L170-H172 PolarHBondContact O-N 2.92Å
171G74.3Confident78.3Confident67 Ų6779 Ų7969%0.69144%0.441SS*.THydrogen-bonded Turntrans67.714-179.900000114.3M167 M168 V169M167-G171 PolarHBondContact O-N 2.77Å; M168-G171 PolarHBondContact O-N 2.82Å; V169-G171 PolarHBondContact O-N 2.83Å
172H76.2Confident77.1Confident125 Ų12579.8 Ų79.858%0.57945%0.454SS*.  trans-79.6136.5174.9-76.3-69.2000110.2M167 L170M167-H172 PolarHBondContact O-N 2.71Å; L170-H172 PolarHBondContact O-N 2.92Å
173E70.7Confident76.2Confident158 Ų15885 Ų8574%0.73848%0.477SS*.  trans-61.2127.6169.5-72.6-165.5159.100109.4R175E173-R175 PolarHBondContact O-N 2.86Å
174P71.9Confident75.3Confident45 Ų4590.2 Ų90.229%0.29250%0.504SS..SBendtrans-73.9-15-170.929-35.9000113.3I163I163-P174 HydrophobicContact CB-CB 4.49Å; I163-P174 HydrophobicContact CD1-CB 4.45Å; I163-P174 HydrophobicContact CD1-CG 4.02Å; I163-P174 HydrophobicContact CG1-CB 4.26Å; I163-P174 HydrophobicContact CG1-CG 4.35Å; I163-P174 HydrophobicContact CG2-CB 3.49Å; I163-P174 VanDerWaalsContact CG2-CB 3.49Å; I163-P174 HydrophobicContact CG2-CG 4.08Å
175R77.1Confident74.8Confident28 Ų2891 Ų9111%0.10651%0.508CS..SBendtrans-136.5144.7-179.4-65.1175.976.9-176.314.7110.2V25 D26 T27 E173 Y201 S202V25-R175 HydrophobicContact CB-CG 4.47Å; V25-R175 WeakPolarHBondContact O-CA 3.38Å; V25-R175 WeakPolarHBondContact O-CB 3.34Å; D26-R175 PolarHBondContact O-NE 2.99Å; D26-R175 PolarHBondContact O-NH2 2.9Å; T27-R175 VanDerWaalsContact CA-CZ 3.44Å; T27-R175 HydrophobicContact CG2-CB 4.05Å; T27-R175 PolarHBondContact O-NH2 2.93Å; E173-R175 PolarHBondContact O-N 2.86Å; R175-Y201 HydrophobicContact CG-CE1 4.49Å; R175-Y201 VanDerWaalsContact CZ-CD2 3.4Å; R175-S202 PolarHBondContact NH1-O 3.31Å
176Q77.7Confident74.8Confident118 Ų11897.6 Ų97.655%0.55153%0.526SS*.BIsolated β-bridgetrans-82.6127.7167.4-70.1-175.9-0.500109.1A24 V25 D26 T27 T178A24-Q176 VanDerWaalsContact CB-CD 3.43Å; A24-Q176 HydrophobicContact CB-CG 3.74Å; V25-Q176 PolarHBondContact O-N 2.98Å; D26-Q176 WeakPolarHBondContact CA-O 3.41Å; D26-Q176 VanDerWaalsContact OD1-O 3.07Å; T27-Q176 PolarHBondContact N-O 3.31Å; Q176-T178 PolarHBondContact O-N 2.97Å
177T78.6Confident74.9Confident76 Ų7695.4 Ų95.447%0.46652%0.518SS..  trans-89.491.2177.1-57.10000109.8T27T27-T177 HydrophobicContact CG2-CG2 4.21Å; T27-T177 WeakPolarHBondContact CG2-OG1 3.21Å; T27-T177 WeakPolarHBondContact OG1-CA 3.41Å
178T76.3Confident75.2Confident92 Ų9294.5 Ų94.556%0.56452%0.52SS*.  trans-90.2-19.8174.475.60000112.2D26 Q176D26-T178 PolarHBondContact OD1-N 3.45Å; D26-T178 PolarHBondContact OD1-OG1 3.44Å; D26-T178 WeakPolarHBondContact OD2-CB 3.16Å; D26-T178 VanDerWaalsContact OD2-CG2 3.28Å; D26-T178 WeakPolarHBondContact OD2-CG2 3.48Å; D26-T178 PolarHBondContact OD2-OG1 2.9Å; Q176-T178 PolarHBondContact O-N 2.97Å
179S75.3Confident75.6Confident27 Ų2797.7 Ų97.719%0.18954%0.537CS..  trans-137.5155.2-17575.70000113.8T27 A28 L181T27-S179 PolarHBondContact OG1-O 3.48Å; A28-S179 WeakPolarHBondContact CA-OG 3.49Å; A28-S179 WeakPolarHBondContact CB-OG 3.33Å; S179-L181 VanDerWaalsContact C-N 3.26Å; S179-L181 PolarHBondContact O-N 3.22Å
180N76.2Confident75.9Confident135 Ų13595 Ų9572%0.72252%0.515SS*.SBendtrans-79.6-6.9176.8-63.9-26.9000113.2G182 H183N180-G182 VanDerWaalsContact C-N 3.33Å; N180-G182 PolarHBondContact O-N 2.62Å; N180-H183 PolarHBondContact O-N 3.03Å; N180-H183 VanDerWaalsContact O-N 3.1Å
181L75.3Confident76.1Confident67 Ų6789.2 Ų89.235%0.35149%0.486SS..G310 helixtrans-60.8-41.4-173.4-106.271.2000112.5S179 H183 L184S179-L181 VanDerWaalsContact C-N 3.26Å; S179-L181 PolarHBondContact O-N 3.22Å; L181-H183 PolarHBondContact O-N 3.18Å; L181-H183 VanDerWaalsContact O-N 3.14Å; L181-L184 HydrophobicContact CD1-CD1 4.33Å; L181-L184 HydrophobicContact CG-CD1 4.07Å; L181-L184 PolarHBondContact O-N 2.81Å
182G67.8Low76.7Confident30 Ų3090.8 Ų90.831%0.30948%0.477SS..G310 helixtrans-63.6-16.9178.600000114.7N180N180-G182 VanDerWaalsContact C-N 3.33Å; N180-G182 PolarHBondContact O-N 2.62Å
183H71.3Confident77.2Confident130 Ų13091.1 Ų91.160%0.60248%0.482SS*.G310 helixtrans-103.91.2-178-64.497.3000113.7N180 L181N180-H183 PolarHBondContact O-N 3.03Å; N180-H183 VanDerWaalsContact O-N 3.1Å; L181-H183 PolarHBondContact O-N 3.18Å; L181-H183 VanDerWaalsContact O-N 3.14Å
184L70.1Confident77.8Confident126 Ų12687.2 Ų87.266%0.6646%0.464SS*.SBendtrans-68.2-38.5-179.4-79.7162.2000112.4L181L181-L184 HydrophobicContact CD1-CD1 4.33Å; L181-L184 HydrophobicContact CG-CD1 4.07Å; L181-L184 PolarHBondContact O-N 2.81Å
185N72.8Confident78.3Confident109 Ų10985.3 Ų85.358%0.58345%0.453SS*.SBendtrans-94.3116.3-178.2-71.1-12.7000110.1
186K77.3Confident78.7Confident198 Ų19884.3 Ų84.386%0.86145%0.449SS*.PPolyproline II helixtrans-70.6124.5172.9-70.4-173179-1790109.2
187P78.2Confident78.9Confident68 Ų6883.6 Ų83.644%0.44245%0.449SS..PPolyproline II helixtrans-67.1153.6179.227.9-34.6000111.6L196P187-L196 HydrophobicContact CB-CD2 3.2Å; P187-L196 HydrophobicContact CG-CD2 4.08Å
188S82.4Confident79.2Confident58 Ų5887.9 Ų87.941%0.40646%0.457SS..PPolyproline II helixtrans-69146.3172.875.70000110.5Q190 A191 L192S188-Q190 PolarHBondContact O-N 2.73Å; S188-A191 PolarHBondContact O-N 3.22Å; S188-A191 VanDerWaalsContact OG-CB 3.24Å; S188-A191 WeakPolarHBondContact OG-CB 3.22Å; S188-A191 PolarHBondContact OG-N 3.34Å; S188-A191 VanDerWaalsContact OG-N 3.07Å; S188-L192 PolarHBondContact O-N 3.06Å; S188-L192 VanDerWaalsContact O-N 3.11Å
189I82.4Confident79.7Confident139 Ų13988.3 Ų88.371%0.71345%0.453SS*.Hα-helixtrans-59.1-37.7177-63.8170.1000110.3L192 I193I189-L192 WeakPolarHBondContact O-CB 3.45Å; I189-L192 PolarHBondContact O-N 3.32Å; I189-I193 HydrophobicContact CG2-CD1 4.02Å; I189-I193 WeakPolarHBondContact O-CG1 3.43Å; I189-I193 PolarHBondContact O-N 3.01Å
190Q82.8Confident80.4Confident75 Ų7587 Ų8735%0.3544%0.444SS..Hα-helixtrans-62.6-46.4177.5-172.9170.1-6.500111.6F118 S188 L192 I193 H194F118-Q190 PolarHBondContact O-NE2 2.68Å; F118-Q190 PolarHBondContact O-OE1 3.22Å; S188-Q190 PolarHBondContact O-N 2.73Å; Q190-L192 VanDerWaalsContact C-N 3.27Å; Q190-L192 PolarHBondContact O-N 2.84Å; Q190-I193 PolarHBondContact O-N 2.76Å; Q190-I193 VanDerWaalsContact O-N 3.16Å; Q190-H194 PolarHBondContact O-CD2 2.64Å; Q190-H194 PolarHBondContact O-N 2.85Å
191A83.9Confident81.1Confident3 Ų381.2 Ų81.23%0.02541%0.411CS..Hα-helixtrans-61-37.2175.800000112.3W121 S188 H194 G195 L196W121-A191 HydrophobicContact CB-CB 4.16Å; S188-A191 PolarHBondContact O-N 3.22Å; S188-A191 VanDerWaalsContact OG-CB 3.24Å; S188-A191 WeakPolarHBondContact OG-CB 3.22Å; S188-A191 PolarHBondContact OG-N 3.34Å; S188-A191 VanDerWaalsContact OG-N 3.07Å; A191-H194 CarbonylContact O-C 3.28Å; A191-H194 PolarHBondContact O-N 3.07Å; A191-G195 PolarHBondContact O-N 2.97Å; A191-L196 HydrophobicContact CB-CB 4.26Å; A191-L196 HydrophobicContact CB-CD2 4.06Å; A191-L196 WeakPolarHBondContact O-CB 3.24Å; A191-L196 PolarHBondContact O-N 3.01Å
192L86.6Confident81.8Confident99 Ų9979.8 Ų79.852%0.51841%0.407SS..Hα-helixtrans-64.8-39.6176.2-16964.8000112.4S188 I189 Q190 H194 G195S188-L192 PolarHBondContact O-N 3.06Å; S188-L192 VanDerWaalsContact O-N 3.11Å; I189-L192 WeakPolarHBondContact O-CB 3.45Å; I189-L192 PolarHBondContact O-N 3.32Å; Q190-L192 VanDerWaalsContact C-N 3.27Å; Q190-L192 PolarHBondContact O-N 2.84Å; L192-H194 VanDerWaalsContact C-N 3.31Å; L192-G195 PolarHBondContact O-N 3.03Å
193I86.6Confident82.9Confident132 Ų13278.4 Ų78.468%0.67739%0.393SS*.Hα-helixtrans-63.6-39.5174.7-68165.5000110.7I189 Q190 G195I189-I193 HydrophobicContact CG2-CD1 4.02Å; I189-I193 WeakPolarHBondContact O-CG1 3.43Å; I189-I193 PolarHBondContact O-N 3.01Å; Q190-I193 PolarHBondContact O-N 2.76Å; Q190-I193 VanDerWaalsContact O-N 3.16Å; I193-G195 PolarHBondContact O-N 2.88Å
194H84.5Confident83.8Confident76 Ų7673.2 Ų73.235%0.35237%0.37SS..THydrogen-bonded Turntrans-83.116.5179.2-70.4-74.4000114.2W121 Q190 A191 L192 Y200W121-H194 HydrophobicContact CB-CB 4.2Å; W121-H194 HydrophobicContact CD2-CB 4.08Å; W121-H194 AromaticContact CD2-CD2 3.71Å; W121-H194 AromaticContact CD2-CG 3.79Å; W121-H194 HydrophobicContact CE3-CB 3.7Å; W121-H194 AromaticContact CE3-CD2 3.85Å; W121-H194 AromaticContact CE3-CG 3.47Å; W121-H194 VanDerWaalsContact CE3-CG 3.47Å; W121-H194 AromaticContact CE3-ND1 3.67Å; W121-H194 HydrophobicContact CG-CB 4.29Å; W121-H194 AromaticContact CH2-CE1 3.94Å; W121-H194 HydrophobicContact CZ3-CB 4.47Å; W121-H194 AromaticContact CZ3-CE1 3.82Å; W121-H194 AromaticContact CZ3-CG 3.9Å; W121-H194 AromaticContact CZ3-ND1 3.59Å; Q190-H194 PolarHBondContact O-CD2 2.64Å; Q190-H194 PolarHBondContact O-N 2.85Å; A191-H194 CarbonylContact O-C 3.28Å; A191-H194 PolarHBondContact O-N 3.07Å; L192-H194 VanDerWaalsContact C-N 3.31Å; H194-Y200 WeakPolarHBondContact O-CE1 3.32Å; H194-Y200 PolarHBondContact O-OH 2.92Å
195G81.4Confident84.9Confident6 Ų668.4 Ų68.46%0.06235%0.345CS..THydrogen-bonded Turntrans94.617.7166.400000116.1A191 L192 I193 N197 R198 H199A191-G195 PolarHBondContact O-N 2.97Å; L192-G195 PolarHBondContact O-N 3.03Å; I193-G195 PolarHBondContact O-N 2.88Å; G195-N197 PolarHBondContact O-N 3.36Å; G195-R198 CarbonylContact O-C 3.22Å; G195-R198 WeakPolarHBondContact O-CA 3.3Å; G195-R198 PolarHBondContact O-N 3.44Å; G195-H199 PolarHBondContact O-N 2.91Å
196L84.5Confident85.8Confident7 Ų766 Ų664%0.03733%0.332CS..BIsolated β-bridgetrans-57.9137.1166.7-173.971.2000110.6F160 P187 A191 R198 Y200F160-L196 HydrophobicContact CD1-CD1 4.09Å; F160-L196 HydrophobicContact CE1-CD1 3.93Å; P187-L196 HydrophobicContact CB-CD2 3.2Å; P187-L196 HydrophobicContact CG-CD2 4.08Å; A191-L196 HydrophobicContact CB-CB 4.26Å; A191-L196 HydrophobicContact CB-CD2 4.06Å; A191-L196 WeakPolarHBondContact O-CB 3.24Å; A191-L196 PolarHBondContact O-N 3.01Å; L196-R198 PolarHBondContact O-N 3.43Å; L196-Y200 HydrophobicContact CB-CE2 3.94Å; L196-Y200 HydrophobicContact CD1-CD2 3.68Å; L196-Y200 HydrophobicContact CD1-CE2 3.68Å; L196-Y200 HydrophobicContact CG-CE2 4.43Å
197N83Confident86.5Confident103 Ų10361.1 Ų61.155%0.55131%0.309SS*.THydrogen-bonded Turntrans64.69.2-170.7-56.6-27.6000114.9G195 Y200G195-N197 PolarHBondContact O-N 3.36Å; N197-Y200 PolarHBondContact N-O 3.05Å
198R84.4Confident87Confident165 Ų16563.6 Ų63.662%0.62331%0.309SS*.THydrogen-bonded Turntrans-114.8-71.9167.5-59.5175.196.3150.23.6108.8I163 M168 G195 L196I163-R198 WeakPolarHBondContact CD1-O 3.43Å; M168-R198 HydrophobicContact CE-CB 3.92Å; M168-R198 HydrophobicContact CE-CG 4.31Å; M168-R198 VanDerWaalsContact SD-C 3.59Å; G195-R198 CarbonylContact O-C 3.22Å; G195-R198 WeakPolarHBondContact O-CA 3.3Å; G195-R198 PolarHBondContact O-N 3.44Å; L196-R198 PolarHBondContact O-N 3.43Å
199H87.3Confident87.2Confident102 Ų10267.3 Ų67.347%0.47232%0.318SS..THydrogen-bonded Turntrans-85.4-26.1-176.3-61.5-60.1000113.5I127 L162 I163 G195I127-H199 HydrophobicContact CD1-CB 4.15Å; L162-H199 WeakPolarHBondContact CA-O 2.98Å; I163-H199 PolarHBondContact N-O 3.26Å; G195-H199 PolarHBondContact O-N 2.91Å
200Y90.7Very high87.7Confident0 Ų064.1 Ų64.10%030%0.302CS..EExtended strand (participates in β ladder)trans-151.1162.2-178.152.8-91.4000110.7L122 I127 F160 R161 H194 L196 N197L122-Y200 HydrophobicContact CB-CD1 4.1Å; L122-Y200 HydrophobicContact CB-CE1 3.8Å; L122-Y200 HydrophobicContact CD1-CD1 4.07Å; L122-Y200 HydrophobicContact CD1-CD2 4.34Å; L122-Y200 HydrophobicContact CD1-CG 3.97Å; L122-Y200 HydrophobicContact CG-CD1 4.43Å; L122-Y200 HydrophobicContact CG-CD2 4.49Å; L122-Y200 HydrophobicContact CG-CE1 4.44Å; L122-Y200 HydrophobicContact CG-CE2 4.48Å; L122-Y200 HydrophobicContact CG-CG 4.47Å; L122-Y200 PolarHBondContact N-OH 3.48Å; I127-Y200 HydrophobicContact CD1-CD1 4.22Å; I127-Y200 HydrophobicContact CD1-CE1 4.18Å; I127-Y200 HydrophobicContact CG1-CD1 4.34Å; F160-Y200 HydrophobicContact CB-CD2 4.25Å; F160-Y200 AromaticContact CD1-CD2 3.76Å; F160-Y200 HydrophobicContact CD1-CD2 3.76Å; F160-Y200 HydrophobicContact CD1-CE2 4.04Å; F160-Y200 HydrophobicContact CE1-CD2 4.39Å; F160-Y200 HydrophobicContact CE1-CE2 4.24Å; F160-Y200 HydrophobicContact CG-CD2 4.09Å; F160-Y200 HydrophobicContact CG-CE2 4.44Å; R161-Y200 CarbonylContact O-C 3.34Å; R161-Y200 WeakPolarHBondContact O-CA 3.42Å; R161-Y200 WeakPolarHBondContact O-CB 3.32Å; H194-Y200 WeakPolarHBondContact O-CE1 3.32Å; H194-Y200 PolarHBondContact O-OH 2.92Å; L196-Y200 HydrophobicContact CB-CE2 3.94Å; L196-Y200 HydrophobicContact CD1-CD2 3.68Å; L196-Y200 HydrophobicContact CD1-CE2 3.68Å; L196-Y200 HydrophobicContact CG-CE2 4.43Å; N197-Y200 PolarHBondContact N-O 3.05Å
201Y89.8Confident88.2Confident12 Ų1267.5 Ų67.55%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-122.3158173.960.2-92.4000111F160 R161 I163 R175 I203F160-Y201 VanDerWaalsContact CA-O 3.3Å; F160-Y201 WeakPolarHBondContact CA-O 3.25Å; R161-Y201 HydrophobicContact CB-CE1 4.11Å; R161-Y201 HydrophobicContact CB-CE2 4.18Å; R161-Y201 WeakPolarHBondContact CD-OH 3.43Å; R161-Y201 HydrophobicContact CG-CE1 4.49Å; R161-Y201 PolarHBondContact N-O 3.03Å; R161-Y201 PolarHBondContact NH1-OH 3.33Å; R161-Y201 PolarHBondContact O-N 3.31Å; I163-Y201 HydrophobicContact CD1-CD1 4.26Å; I163-Y201 HydrophobicContact CG1-CD1 3.63Å; I163-Y201 HydrophobicContact CG1-CE1 4.33Å; R175-Y201 HydrophobicContact CG-CE1 4.49Å; R175-Y201 VanDerWaalsContact CZ-CD2 3.4Å; Y201-I203 HydrophobicContact CD2-CG1 4Å; Y201-I203 HydrophobicContact CE2-CD1 4.08Å; Y201-I203 HydrophobicContact CE2-CG1 3.72Å
202S90.2Very high88.6Confident38 Ų3873.9 Ų73.927%0.26635%0.351SS..EExtended strand (participates in β ladder)trans-85.6140.6174.3178.70000111A159 R175A159-S202 WeakPolarHBondContact O-CA 3.4Å; R175-S202 PolarHBondContact NH1-O 3.31Å
203I91.1Very high88.8Confident1 Ų171.7 Ų71.71%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-109.9138.8174.3-49.1-177.5000108.5E29 V31 V141 A159 R161 Y201 I205E29-I203 HydrophobicContact CB-CG2 4.23Å; E29-I203 HydrophobicContact CG-CG2 4.12Å; E29-I203 WeakPolarHBondContact O-CG2 3.43Å; V31-I203 HydrophobicContact CG2-CB 4.33Å; V31-I203 HydrophobicContact CG2-CG2 3.8Å; V141-I203 HydrophobicContact CG1-CD1 4.49Å; V141-I203 HydrophobicContact CG2-CD1 4.4Å; A159-I203 HydrophobicContact CB-CB 4.22Å; A159-I203 PolarHBondContact O-N 3Å; R161-I203 HydrophobicContact CB-CD1 3.99Å; Y201-I203 HydrophobicContact CD2-CG1 4Å; Y201-I203 HydrophobicContact CE2-CD1 4.08Å; Y201-I203 HydrophobicContact CE2-CG1 3.72Å; I203-I205 PolarHBondContact O-N 2.71Å
204T90.3Very high89Confident20 Ų2071 Ų7112%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-71.2128.3178.458.60000111.1E29 Q30 V31E29-T204 PolarHBondContact O-OG1 2.93Å; Q30-T204 WeakPolarHBondContact CA-O 3.42Å; Q30-T204 WeakPolarHBondContact CG-OG1 3.38Å; V31-T204 PolarHBondContact N-O 2.71Å
205I92.1Very high89.4Confident26 Ų2673.8 Ų73.813%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-96.1131.1176.7-61.7175.4000109.1V31 I33 I157 A159 I203 Y207V31-I205 WeakPolarHBondContact O-CA 3.35Å; I33-I205 HydrophobicContact CD1-CD1 4.14Å; I33-I205 HydrophobicContact CD1-CG1 4.45Å; I33-I205 HydrophobicContact CD1-CG2 3.58Å; I33-I205 HydrophobicContact CG1-CG2 3.96Å; I157-I205 HydrophobicContact CD1-CD1 4.2Å; I157-I205 HydrophobicContact CG1-CD1 3.76Å; I157-I205 HydrophobicContact CG2-CD1 4.34Å; A159-I205 HydrophobicContact CB-CD1 3.86Å; A159-I205 HydrophobicContact CB-CG1 3.77Å; I203-I205 PolarHBondContact O-N 2.71Å; I205-Y207 HydrophobicContact CG2-CE1 4.17Å
206N92.6Very high89.9Confident58 Ų5878.9 Ų78.931%0.3137%0.367SS..EExtended strand (participates in β ladder)trans-118.5150.2170.1-76.8-36.5000110.6Q30 V31 Y32 I33Q30-N206 PolarHBondContact OE1-ND2 3.48Å; V31-N206 PolarHBondContact O-N 3.42Å; Y32-N206 CarbonylContact C-O 3.48Å; Y32-N206 VanDerWaalsContact CA-O 3.31Å; Y32-N206 WeakPolarHBondContact CA-O 3.43Å; Y32-N206 HydrophobicContact CD1-CB 3.49Å; Y32-N206 VanDerWaalsContact CD1-CB 3.49Å; Y32-N206 HydrophobicContact CE1-CB 3.41Å; Y32-N206 VanDerWaalsContact CE1-CB 3.41Å; I33-N206 PolarHBondContact N-O 3.07Å
207Y92.2Very high90.1Very high96 Ų9681.9 Ų81.938%0.37638%0.383SS..EExtended strand (participates in β ladder)trans-104.8127177.9-58.7-70.5000110.4I33 L38 I157 I205I33-Y207 HydrophobicContact CB-CD1 4.4Å; L38-Y207 HydrophobicContact CD1-CE1 4.08Å; L38-Y207 HydrophobicContact CD2-CD1 4.07Å; L38-Y207 HydrophobicContact CD2-CE1 3.68Å; L38-Y207 HydrophobicContact CG-CE1 4.42Å; I157-Y207 WeakPolarHBondContact CG2-OH 3.17Å; I205-Y207 HydrophobicContact CG2-CE1 4.17Å
208R87.9Confident90.5Very high119 Ų11982.1 Ų82.145%0.44938%0.384SS..EExtended strand (participates in β ladder)trans-94.2119.9170.5-174.8178.9175.3-178.11.6108.9I33I33-R208 PolarHBondContact O-N 2.88Å
209K87.9Confident90.7Very high137 Ų13778.1 Ų78.160%0.59638%0.375SS*.  trans-118.3122.7175.4-63.9178.7-178.7175.70108.8
210N92Very high90.5Very high71 Ų7179.2 Ų79.238%0.3838%0.383SS..  trans-83151.8172-67-21.8000110.1L212 E213 Q214N210-L212 PolarHBondContact O-N 2.63Å; N210-E213 HydrophobicContact CB-CB 4.37Å; N210-E213 HydrophobicContact CB-CG 4.05Å; N210-E213 PolarHBondContact N-OE2 3.16Å; N210-E213 WeakPolarHBondContact O-CB 3.3Å; N210-E213 PolarHBondContact O-N 3.11Å; N210-E213 VanDerWaalsContact O-N 3.14Å; N210-Q214 PolarHBondContact O-N 3.01Å
211E93.1Very high90.1Very high147 Ų14787.4 Ų87.469%0.68742%0.421SS*.Hα-helixtrans-58.6-37.2177.9-66.7-173-175.800112.7Q214 K215E211-Q214 PolarHBondContact O-N 3.33Å; E211-K215 WeakPolarHBondContact O-CB 3.49Å; E211-K215 VanDerWaalsContact O-CG 3.3Å; E211-K215 WeakPolarHBondContact O-CG 3.43Å; E211-K215 PolarHBondContact O-N 3.11Å
212L93.1Very high89.7Confident137 Ų13793 Ų9372%0.71745%0.445SS*.Hα-helixtrans-65.2-45.2177.3-170.4156.5000110.9N210 Q214 K215 M216N210-L212 PolarHBondContact O-N 2.63Å; L212-Q214 VanDerWaalsContact C-N 3.32Å; L212-Q214 PolarHBondContact O-N 3.34Å; L212-K215 PolarHBondContact O-N 3.07Å; L212-M216 WeakPolarHBondContact O-CB 3.41Å; L212-M216 PolarHBondContact O-N 3.13Å
213E90.8Very high89Confident52 Ų5299.3 Ų99.324%0.24347%0.468CS..Hα-helixtrans-61.4-43.5175.5-67176.8170.700110.8S35 N210 M216 L217S35-E213 PolarHBondContact OG-OE2 3.22Å; S35-E213 VanDerWaalsContact OG-OE2 3.04Å; N210-E213 HydrophobicContact CB-CB 4.37Å; N210-E213 HydrophobicContact CB-CG 4.05Å; N210-E213 PolarHBondContact N-OE2 3.16Å; N210-E213 WeakPolarHBondContact O-CB 3.3Å; N210-E213 PolarHBondContact O-N 3.11Å; N210-E213 VanDerWaalsContact O-N 3.14Å; E213-M216 PolarHBondContact O-N 3.13Å; E213-L217 WeakPolarHBondContact O-CB 3.4Å; E213-L217 VanDerWaalsContact O-CG 3.24Å; E213-L217 WeakPolarHBondContact O-CG 3.24Å; E213-L217 PolarHBondContact O-N 3.27Å
214Q90.8Very high88.5Confident119 Ų119102 Ų10256%0.55649%0.488SS*.Hα-helixtrans-63-45.4178-175.9173.9-19.200111.5N210 E211 L212 M216 L217 L218N210-Q214 PolarHBondContact O-N 3.01Å; E211-Q214 PolarHBondContact O-N 3.33Å; L212-Q214 VanDerWaalsContact C-N 3.32Å; L212-Q214 PolarHBondContact O-N 3.34Å; Q214-M216 VanDerWaalsContact C-N 3.34Å; Q214-M216 PolarHBondContact O-N 3.49Å; Q214-L217 PolarHBondContact O-N 3.28Å; Q214-L218 VanDerWaalsContact O-CB 3.23Å; Q214-L218 WeakPolarHBondContact O-CB 3.2Å; Q214-L218 PolarHBondContact O-N 2.79Å
215K92.1Very high88Confident134 Ų134110.2 Ų110.258%0.58352%0.516SS*.Hα-helixtrans-61.4-42.2175.4-74.3172.1-176.4169.50111.5E211 L212 N219E211-K215 WeakPolarHBondContact O-CB 3.49Å; E211-K215 VanDerWaalsContact O-CG 3.3Å; E211-K215 WeakPolarHBondContact O-CG 3.43Å; E211-K215 PolarHBondContact O-N 3.11Å; L212-K215 PolarHBondContact O-N 3.07Å; K215-N219 VanDerWaalsContact O-CG 3.24Å; K215-N219 PolarHBondContact O-N 3.2Å; K215-N219 VanDerWaalsContact O-N 3.16Å; K215-N219 PolarHBondContact O-ND2 3.12Å
216M92.1Very high87.4Confident113 Ų113113.5 Ų113.556%0.55753%0.532SS*.Hα-helixtrans-64.3-48.7177.1179.160-178.600111.9L212 E213 Q214 L218 N219 L220L212-M216 WeakPolarHBondContact O-CB 3.41Å; L212-M216 PolarHBondContact O-N 3.13Å; E213-M216 PolarHBondContact O-N 3.13Å; Q214-M216 VanDerWaalsContact C-N 3.34Å; Q214-M216 PolarHBondContact O-N 3.49Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 3.27Å; M216-N219 WeakPolarHBondContact O-CB 3.23Å; M216-N219 PolarHBondContact O-N 3.3Å; M216-L220 PolarHBondContact O-N 3.33Å
217L89.4Confident86.7Confident69 Ų69116.1 Ų116.136%0.36154%0.543SS..Hα-helixtrans-65.6-35.7178.6-70.3172.4000112E213 Q214 N219 L220E213-L217 WeakPolarHBondContact O-CB 3.4Å; E213-L217 VanDerWaalsContact O-CG 3.24Å; E213-L217 WeakPolarHBondContact O-CG 3.24Å; E213-L217 PolarHBondContact O-N 3.27Å; Q214-L217 PolarHBondContact O-N 3.28Å; L217-N219 VanDerWaalsContact C-N 3.27Å; L217-N219 PolarHBondContact O-N 3.02Å; L217-L220 HydrophobicContact CD2-CD1 4.07Å; L217-L220 WeakPolarHBondContact O-CB 3.5Å; L217-L220 PolarHBondContact O-N 3.41Å
218L90.4Very high85.8Confident109 Ų109113.6 Ų113.657%0.57155%0.546SS*.Hα-helixtrans-63.1-35.7174.7-164.588.8000111.4Q214 M216 L220 H221Q214-L218 VanDerWaalsContact O-CB 3.23Å; Q214-L218 WeakPolarHBondContact O-CB 3.2Å; Q214-L218 PolarHBondContact O-N 2.79Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 3.27Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 PolarHBondContact O-N 3.11Å; L218-H221 PolarHBondContact O-N 3.2Å
219N88.1Confident85.3Confident81 Ų81111 Ų11143%0.43354%0.54SS..Hα-helixtrans-65.7-29.3178.1-71-22.6000112.9K215 M216 L217 H221 K222K215-N219 VanDerWaalsContact O-CG 3.24Å; K215-N219 PolarHBondContact O-N 3.2Å; K215-N219 VanDerWaalsContact O-N 3.16Å; K215-N219 PolarHBondContact O-ND2 3.12Å; M216-N219 WeakPolarHBondContact O-CB 3.23Å; M216-N219 PolarHBondContact O-N 3.3Å; L217-N219 VanDerWaalsContact C-N 3.27Å; L217-N219 PolarHBondContact O-N 3.02Å; N219-H221 VanDerWaalsContact C-N 3.26Å; N219-H221 PolarHBondContact O-N 3.38Å; N219-K222 WeakPolarHBondContact O-CB 3.35Å; N219-K222 PolarHBondContact O-N 3.24Å; N219-K222 VanDerWaalsContact OD1-CE 3.26Å; N219-K222 WeakPolarHBondContact OD1-CE 3.31Å; N219-K222 PolarHBondContact OD1-NZ 3.13Å
220L84.9Confident85.2Confident125 Ų125108.7 Ų108.765%0.65454%0.538SS*.Hα-helixtrans-66.1-28.7177.7-67.4171.8000113.1M216 L217 L218M216-L220 PolarHBondContact O-N 3.33Å; L217-L220 HydrophobicContact CD2-CD1 4.07Å; L217-L220 WeakPolarHBondContact O-CB 3.5Å; L217-L220 PolarHBondContact O-N 3.41Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 PolarHBondContact O-N 3.11Å
221H80.9Confident84.9Confident171 Ų171108 Ų10879%0.79253%0.534SS*.THydrogen-bonded Turntrans-90.5-1.7178-81.6-75.2000113.5L218 N219 K223L218-H221 PolarHBondContact O-N 3.2Å; N219-H221 VanDerWaalsContact C-N 3.26Å; N219-H221 PolarHBondContact O-N 3.38Å; H221-K223 PolarHBondContact O-N 3.46Å
222K81.4Confident84.6Confident129 Ų129106 Ų10656%0.56153%0.525SS*.SBendtrans-71.8130.8175.6-70.4-178.9179.2172.10109.2N219N219-K222 WeakPolarHBondContact O-CB 3.35Å; N219-K222 PolarHBondContact O-N 3.24Å; N219-K222 VanDerWaalsContact OD1-CE 3.26Å; N219-K222 WeakPolarHBondContact OD1-CE 3.31Å; N219-K222 PolarHBondContact OD1-NZ 3.13Å
223K76Confident84.5Confident171 Ų171104.5 Ų104.574%0.74352%0.517SS*.PPolyproline II helixtrans-61152.6169.8-65.5-169.2177.3-169.30110H221 W225H221-K223 PolarHBondContact O-N 3.46Å; K223-W225 PolarHBondContact O-N 3.35Å
224S81.3Confident84.6Confident59 Ų59108.3 Ų108.341%0.41353%0.53SS..PPolyproline II helixtrans-60131.5174.8-178.90000109.1M226 E227S224-M226 PolarHBondContact O-N 3.43Å; S224-E227 WeakPolarHBondContact O-CB 3.46Å; S224-E227 PolarHBondContact O-N 2.7Å; S224-E227 VanDerWaalsContact O-N 3.14Å
225W78.9Confident84.7Confident191 Ų191106.2 Ų106.272%0.72353%0.529SS*.G310 helixtrans-62.4-26.2178.266.1-90000112.1K223 E227 L229K223-W225 PolarHBondContact O-N 3.35Å; W225-E227 VanDerWaalsContact C-N 3.32Å; W225-L229 HydrophobicContact CE3-CD1 3.57Å; W225-L229 HydrophobicContact CZ3-CD1 3.45Å; W225-L229 VanDerWaalsContact CZ3-CD1 3.45Å
226M79.1Confident84.8Confident95 Ų95105.8 Ų105.847%0.46853%0.529SS..G310 helixtrans-70.6-28178.4-62.3-179.1-68.900112.4S224 G228 L229 T230S224-M226 PolarHBondContact O-N 3.43Å; M226-G228 PolarHBondContact O-N 3.07Å; M226-G228 VanDerWaalsContact O-N 3.12Å; M226-L229 CarbonylContact O-C 3.58Å; M226-L229 PolarHBondContact O-N 2.67Å; M226-T230 WeakPolarHBondContact O-CG2 3.08Å; M226-T230 PolarHBondContact O-N 2.67Å; M226-T230 PolarHBondContact O-OG1 3.26Å
227E77.3Confident84.8Confident114 Ų114100.9 Ų100.953%0.53351%0.505SS..G310 helixtrans-60.7-26.5-176.8-163.2179.1173.200112.1S224 W225 T230S224-E227 WeakPolarHBondContact O-CB 3.46Å; S224-E227 PolarHBondContact O-N 2.7Å; S224-E227 VanDerWaalsContact O-N 3.14Å; W225-E227 VanDerWaalsContact C-N 3.32Å; E227-T230 PolarHBondContact O-OG1 2.92Å
228G73.8Confident84.9Confident43 Ų43100.9 Ų100.944%0.44351%0.509SS..G310 helixtrans-88.3-6.8175.100000115.4M226M226-G228 PolarHBondContact O-N 3.07Å; M226-G228 VanDerWaalsContact O-N 3.12Å
229L78.4Confident85.2Confident64 Ų64102 Ų10234%0.33551%0.509SS..THydrogen-bonded Turntrans-112.9-7.7179.5-64.9170.6000112.4W225 M226 F309W225-L229 HydrophobicContact CE3-CD1 3.57Å; W225-L229 HydrophobicContact CZ3-CD1 3.45Å; W225-L229 VanDerWaalsContact CZ3-CD1 3.45Å; M226-L229 CarbonylContact O-C 3.58Å; M226-L229 PolarHBondContact O-N 2.67Å; L229-F309 HydrophobicContact CD2-CE2 4.41Å
230T84.4Confident85.4Confident89 Ų89101.9 Ų101.955%0.54651%0.509SS..PPolyproline II helixtrans-91.7124.8173.8530000109.6M226 E227M226-T230 WeakPolarHBondContact O-CG2 3.08Å; M226-T230 PolarHBondContact O-N 2.67Å; M226-T230 PolarHBondContact O-OG1 3.26Å; E227-T230 PolarHBondContact O-OG1 2.92Å
231L86.2Confident85.8Confident56 Ų5697.4 Ų97.429%0.29349%0.485SS..PPolyproline II helixtrans-82.4138.5168-66.6165.6000109.7Y234 A301 A302 D305L231-Y234 HydrophobicContact CD1-CE2 4.41Å; L231-A301 HydrophobicContact CD2-CB 3.59Å; L231-A301 HydrophobicContact CG-CB 4.49Å; L231-A302 HydrophobicContact CD2-CB 3.97Å; L231-D305 VanDerWaalsContact CD1-OD2 3.22Å; L231-D305 WeakPolarHBondContact CD1-OD2 3.44Å
232Q86.5Confident86.5Confident105 Ų10594.6 Ų94.649%0.49147%0.472SS..PPolyproline II helixtrans-69.8156.1164.7-64.8-177.3-12.400110.1Y234 Q298Q232-Y234 PolarHBondContact O-N 3.12Å; Q232-Y234 VanDerWaalsContact O-N 3.16Å; Q232-Q298 VanDerWaalsContact N-OE1 3.09Å; Q232-Q298 PolarHBondContact O-NE2 2.69Å
233D92.3Very high87.1Confident106 Ų10691.8 Ų91.857%0.56747%0.467SS*.PPolyproline II helixtrans-60.1119.3175.5-79-23.3000110.4S235 E236 H237D233-S235 PolarHBondContact O-N 2.9Å; D233-S235 VanDerWaalsContact O-N 3.11Å; D233-E236 HydrophobicContact CB-CB 4.28Å; D233-E236 HydrophobicContact CB-CG 4.01Å; D233-E236 PolarHBondContact O-N 3.36Å; D233-H237 PolarHBondContact O-N 2.93Å
234Y92Very high88Confident132 Ų13284.4 Ų84.452%0.51844%0.436SS..Hα-helixtrans-53.9-37.7-176.7-77.1-85.4000112.7L231 Q232 E236 C238 A302L231-Y234 HydrophobicContact CD1-CE2 4.41Å; Q232-Y234 PolarHBondContact O-N 3.12Å; Q232-Y234 VanDerWaalsContact O-N 3.16Å; Y234-E236 VanDerWaalsContact C-N 3.33Å; Y234-E236 PolarHBondContact O-N 2.96Å; Y234-C238 WeakPolarHBondContact O-CB 3.01Å; Y234-C238 PolarHBondContact O-N 2.8Å; Y234-C238 PolarHBondContact O-SG 3.17Å; Y234-A302 WeakPolarHBondContact OH-CB 3.22Å
235S94.1Very high88.6Confident74 Ų7485.3 Ų85.352%0.51744%0.439SS..Hα-helixtrans-66.8-34.5179.479.30000113D233 K239D233-S235 PolarHBondContact O-N 2.9Å; D233-S235 VanDerWaalsContact O-N 3.11Å; S235-K239 WeakPolarHBondContact O-CD 3.31Å; S235-K239 VanDerWaalsContact O-CG 3.27Å; S235-K239 WeakPolarHBondContact O-CG 3.41Å; S235-K239 PolarHBondContact O-N 3.02Å
236E92.8Very high89.4Confident125 Ų12582.7 Ų82.758%0.58443%0.432SS*.Hα-helixtrans-77.7-42.6178.2-62-167.1156.900110.6D233 Y234 C238 K239 L240D233-E236 HydrophobicContact CB-CB 4.28Å; D233-E236 HydrophobicContact CB-CG 4.01Å; D233-E236 PolarHBondContact O-N 3.36Å; Y234-E236 VanDerWaalsContact C-N 3.33Å; Y234-E236 PolarHBondContact O-N 2.96Å; E236-C238 PolarHBondContact O-N 3.11Å; E236-K239 PolarHBondContact O-N 2.89Å; E236-L240 PolarHBondContact O-N 3.39Å
237H92.7Very high90Very high11 Ų1182.7 Ų82.75%0.05143%0.431CS..Hα-helixtrans-60.7-42.7177.1-17172.9000112.1D233 K239 L240 N241 S294 N295D233-H237 PolarHBondContact O-N 2.93Å; H237-K239 PolarHBondContact O-N 2.88Å; H237-L240 PolarHBondContact O-N 3.49Å; H237-N241 PolarHBondContact NE2-ND2 3.5Å; H237-N241 PolarHBondContact O-N 3.41Å; H237-S294 PolarHBondContact CE1-OG 3.41Å; H237-S294 VanDerWaalsContact CE1-OG 3.26Å; H237-N295 PolarHBondContact NE2-OD1 3.46Å
238C92.3Very high90.8Very high68 Ų6879 Ų7946%0.45942%0.415SS..Hα-helixtrans-62.8-41.9174.3-71.40000112.6Y234 E236 L240 N241 E242Y234-C238 WeakPolarHBondContact O-CB 3.01Å; Y234-C238 PolarHBondContact O-N 2.8Å; Y234-C238 PolarHBondContact O-SG 3.17Å; E236-C238 PolarHBondContact O-N 3.11Å; C238-L240 VanDerWaalsContact C-N 3.31Å; C238-L240 PolarHBondContact O-N 3.29Å; C238-N241 PolarHBondContact O-N 2.94Å; C238-E242 WeakPolarHBondContact O-CG 3.28Å; C238-E242 PolarHBondContact O-N 2.91Å
239K95Very high91.8Very high132 Ų13282 Ų8257%0.57442%0.419SS*.Hα-helixtrans-63.3-38.7176-73.1169.4-174.3171.80111.8S235 E236 H237 E242 T243S235-K239 WeakPolarHBondContact O-CD 3.31Å; S235-K239 VanDerWaalsContact O-CG 3.27Å; S235-K239 WeakPolarHBondContact O-CG 3.41Å; S235-K239 PolarHBondContact O-N 3.02Å; E236-K239 PolarHBondContact O-N 2.89Å; H237-K239 PolarHBondContact O-N 2.88Å; K239-E242 PolarHBondContact O-N 2.88Å; K239-T243 WeakPolarHBondContact O-CB 3.47Å; K239-T243 PolarHBondContact O-N 2.9Å; K239-T243 PolarHBondContact O-OG1 2.81Å
240L93.4Very high92.5Very high80 Ų8083.3 Ų83.342%0.41942%0.424SS..Hα-helixtrans-64.4-46.4176.6-171.6139.6000110.8E236 H237 C238 E242 T243 V244E236-L240 PolarHBondContact O-N 3.39Å; H237-L240 PolarHBondContact O-N 3.49Å; C238-L240 VanDerWaalsContact C-N 3.31Å; C238-L240 PolarHBondContact O-N 3.29Å; L240-E242 PolarHBondContact O-N 3.39Å; L240-T243 PolarHBondContact O-N 2.95Å; L240-V244 HydrophobicContact CD2-CG2 4.21Å; L240-V244 WeakPolarHBondContact O-CG2 3.39Å; L240-V244 PolarHBondContact O-N 3.3Å
241N93.6Very high92.9Very high30 Ų3079.6 Ų79.616%0.1640%0.401CS..Hα-helixtrans-58-46.4174.7-75.3-25.2000112.2H237 C238 T243 V244 V245 L291 N295H237-N241 PolarHBondContact NE2-ND2 3.5Å; H237-N241 PolarHBondContact O-N 3.41Å; C238-N241 PolarHBondContact O-N 2.94Å; N241-T243 VanDerWaalsContact C-N 3.29Å; N241-T243 PolarHBondContact O-N 3.43Å; N241-V244 PolarHBondContact O-N 2.97Å; N241-V245 WeakPolarHBondContact O-CB 3.38Å; N241-V245 VanDerWaalsContact O-CG2 3.23Å; N241-V245 WeakPolarHBondContact O-CG2 3.39Å; N241-V245 PolarHBondContact O-N 2.99Å; N241-L291 VanDerWaalsContact OD1-CD1 3.23Å; N241-L291 WeakPolarHBondContact OD1-CD1 3.22Å; N241-N295 PolarHBondContact ND2-OD1 3.33Å; N241-N295 PolarHBondContact OD1-ND2 3.46Å; N241-N295 PolarHBondContact OD1-OD1 2.91Å
242E94.5Very high93.3Very high112 Ų11278.6 Ų78.652%0.52340%0.401SS..Hα-helixtrans-60.6-39.4176.8-76.5-175.3-159.500112.7C238 K239 L240 K246C238-E242 WeakPolarHBondContact O-CG 3.28Å; C238-E242 PolarHBondContact O-N 2.91Å; K239-E242 PolarHBondContact O-N 2.88Å; L240-E242 PolarHBondContact O-N 3.39Å; E242-K246 WeakPolarHBondContact O-CB 3.23Å; E242-K246 WeakPolarHBondContact O-CD 3.3Å; E242-K246 VanDerWaalsContact O-CG 3.24Å; E242-K246 WeakPolarHBondContact O-CG 3.45Å; E242-K246 PolarHBondContact O-N 2.88Å; E242-K246 VanDerWaalsContact O-N 3.13Å; E242-K246 IonicContact OE2-NZ 3.45Å
243T95.4Very high93.7Very high71 Ų7178.8 Ų78.844%0.43640%0.4SS..Hα-helixtrans-67.9-49.8-179.1-54.90000110.4K239 L240 N241 V245 K246 E247K239-T243 WeakPolarHBondContact O-CB 3.47Å; K239-T243 PolarHBondContact O-N 2.9Å; K239-T243 PolarHBondContact O-OG1 2.81Å; L240-T243 PolarHBondContact O-N 2.95Å; N241-T243 VanDerWaalsContact C-N 3.29Å; N241-T243 PolarHBondContact O-N 3.43Å; T243-V245 PolarHBondContact O-N 3.17Å; T243-K246 PolarHBondContact O-N 3.04Å; T243-E247 WeakPolarHBondContact O-CG 3.46Å; T243-E247 PolarHBondContact O-N 2.79Å
244V93.7Very high93.6Very high16 Ų1676.8 Ų76.810%0.09739%0.389CS..Hα-helixtrans-62.7-41179.61760000111.4L240 N241 K246 E247 M248 H287 L291L240-V244 HydrophobicContact CD2-CG2 4.21Å; L240-V244 WeakPolarHBondContact O-CG2 3.39Å; L240-V244 PolarHBondContact O-N 3.3Å; N241-V244 PolarHBondContact O-N 2.97Å; V244-K246 VanDerWaalsContact C-N 3.35Å; V244-K246 PolarHBondContact O-N 2.92Å; V244-E247 PolarHBondContact O-N 2.94Å; V244-M248 HydrophobicContact CG1-CG 4.39Å; V244-M248 HydrophobicContact CG1-SD 4.38Å; V244-M248 WeakPolarHBondContact O-CB 3.38Å; V244-M248 WeakPolarHBondContact O-CG 3.49Å; V244-M248 PolarHBondContact O-N 2.78Å; V244-H287 HydrophobicContact CG1-CB 4.3Å; V244-L291 HydrophobicContact CB-CD1 4.35Å; V244-L291 HydrophobicContact CG1-CB 4.49Å; V244-L291 HydrophobicContact CG1-CD1 4.17Å
245V94.4Very high93.6Very high78 Ų7874.6 Ų74.647%0.47338%0.38SS..Hα-helixtrans-66.8-35.3178.2171.50000112N241 T243 M248 L249 L291N241-V245 WeakPolarHBondContact O-CB 3.38Å; N241-V245 VanDerWaalsContact O-CG2 3.23Å; N241-V245 WeakPolarHBondContact O-CG2 3.39Å; N241-V245 PolarHBondContact O-N 2.99Å; T243-V245 PolarHBondContact O-N 3.17Å; V245-M248 PolarHBondContact O-N 3.13Å; V245-L249 PolarHBondContact O-N 3.48Å; V245-L291 HydrophobicContact CG2-CD2 4.33Å
246K95.1Very high93.5Very high135 Ų13575.9 Ų75.959%0.58738%0.382SS*.Hα-helixtrans-65.2-41.7173.5-75.8167.9-174.9162.60111.6E242 T243 V244 L249 E250E242-K246 WeakPolarHBondContact O-CB 3.23Å; E242-K246 WeakPolarHBondContact O-CD 3.3Å; E242-K246 VanDerWaalsContact O-CG 3.24Å; E242-K246 WeakPolarHBondContact O-CG 3.45Å; E242-K246 PolarHBondContact O-N 2.88Å; E242-K246 VanDerWaalsContact O-N 3.13Å; E242-K246 IonicContact OE2-NZ 3.45Å; T243-K246 PolarHBondContact O-N 3.04Å; V244-K246 VanDerWaalsContact C-N 3.35Å; V244-K246 PolarHBondContact O-N 2.92Å; K246-L249 WeakPolarHBondContact O-CB 3.33Å; K246-L249 PolarHBondContact O-N 2.84Å; K246-E250 PolarHBondContact O-N 2.96Å
247E93.1Very high93.4Very high95 Ų9575.7 Ų75.744%0.44438%0.379SS..Hα-helixtrans-64.9-43.4175.1-69.8174.2178.700111.4T243 V244 L249 E250 L251 H287T243-E247 WeakPolarHBondContact O-CG 3.46Å; T243-E247 PolarHBondContact O-N 2.79Å; V244-E247 PolarHBondContact O-N 2.94Å; E247-L249 VanDerWaalsContact C-N 3.3Å; E247-L249 PolarHBondContact O-N 3.01Å; E247-E250 PolarHBondContact O-N 3.32Å; E247-E250 VanDerWaalsContact O-N 3.13Å; E247-L251 WeakPolarHBondContact O-CG 3.19Å; E247-L251 PolarHBondContact O-N 3.1Å; E247-H287 IonicContact OE2-CE1 2.85Å
248M92.8Very high93Very high38 Ų3876.7 Ų76.719%0.18739%0.389CS..Hα-helixtrans-60.4-37.1174.9-76.3-172.773.100112.6V244 V245 E250 L251 A252 L284 H287 V288 L291V244-M248 HydrophobicContact CG1-CG 4.39Å; V244-M248 HydrophobicContact CG1-SD 4.38Å; V244-M248 WeakPolarHBondContact O-CB 3.38Å; V244-M248 WeakPolarHBondContact O-CG 3.49Å; V244-M248 PolarHBondContact O-N 2.78Å; V245-M248 PolarHBondContact O-N 3.13Å; M248-E250 VanDerWaalsContact C-N 3.32Å; M248-E250 PolarHBondContact O-N 3.02Å; M248-L251 PolarHBondContact O-N 3.07Å; M248-A252 VanDerWaalsContact O-CB 3.28Å; M248-A252 WeakPolarHBondContact O-CB 3.4Å; M248-A252 PolarHBondContact O-N 2.95Å; M248-L284 HydrophobicContact CB-CD2 4.31Å; M248-L284 HydrophobicContact CE-CD2 4.18Å; M248-L284 HydrophobicContact CG-CD2 4.39Å; M248-H287 HydrophobicContact CG-CB 3.91Å; M248-H287 HydrophobicContact SD-CB 4.2Å; M248-V288 HydrophobicContact CE-CG2 3.47Å; M248-V288 VanDerWaalsContact CE-CG2 3.47Å; M248-L291 HydrophobicContact SD-CD2 4.28Å
249L94.8Very high92.9Very high104 Ų10475.8 Ų75.855%0.54538%0.381SS..Hα-helixtrans-62-41.7175.3177.864000111.4V245 K246 E247 A252 K253V245-L249 PolarHBondContact O-N 3.48Å; K246-L249 WeakPolarHBondContact O-CB 3.33Å; K246-L249 PolarHBondContact O-N 2.84Å; E247-L249 VanDerWaalsContact C-N 3.3Å; E247-L249 PolarHBondContact O-N 3.01Å; L249-A252 PolarHBondContact O-N 3.35Å; L249-K253 WeakPolarHBondContact O-CG 3.11Å; L249-K253 PolarHBondContact O-N 3.27Å; L249-K253 VanDerWaalsContact O-N 3.15Å
250E93.4Very high92.5Very high93 Ų9375.2 Ų75.244%0.43538%0.381SS..Hα-helixtrans-69.2-41.8178.2-165.359.6-162.800111.6K246 E247 M248 A252 K253 N254K246-E250 PolarHBondContact O-N 2.96Å; E247-E250 PolarHBondContact O-N 3.32Å; E247-E250 VanDerWaalsContact O-N 3.13Å; M248-E250 VanDerWaalsContact C-N 3.32Å; M248-E250 PolarHBondContact O-N 3.02Å; E250-A252 VanDerWaalsContact C-N 3.31Å; E250-A252 PolarHBondContact O-N 3.36Å; E250-K253 PolarHBondContact O-N 3.44Å; E250-K253 IonicContact OE2-NZ 3.35Å; E250-K253 PolarHBondContact OE2-NZ 2.93Å; E250-N254 PolarHBondContact O-N 3.1Å; E250-N254 PolarHBondContact O-ND2 3.31Å
251L93.3Very high92.1Very high10 Ų1074.4 Ų74.45%0.05238%0.375CS..Hα-helixtrans-62.5-36.4173.1-70.3171.9000112.5E247 M248 N254 Y255 H283 L284 H287E247-L251 WeakPolarHBondContact O-CG 3.19Å; E247-L251 PolarHBondContact O-N 3.1Å; M248-L251 PolarHBondContact O-N 3.07Å; L251-N254 CarbonylContact O-C 3.6Å; L251-N254 PolarHBondContact O-N 3.02Å; L251-Y255 WeakPolarHBondContact O-CB 3.34Å; L251-Y255 PolarHBondContact O-N 3.18Å; L251-H283 HydrophobicContact CD1-CB 3.9Å; L251-H283 HydrophobicContact CD2-CB 4.2Å; L251-L284 HydrophobicContact CB-CD2 3.66Å; L251-L284 HydrophobicContact CB-CG 3.91Å; L251-L284 HydrophobicContact CD1-CD2 4.46Å; L251-H287 WeakPolarHBondContact CD1-CD2 3.35Å
252A94.1Very high91.5Very high36 Ų3677.9 Ų77.930%0.29839%0.39SS..Hα-helixtrans-66.5-39.1176.600000112.4M248 L249 E250 Y255 N256M248-A252 VanDerWaalsContact O-CB 3.28Å; M248-A252 WeakPolarHBondContact O-CB 3.4Å; M248-A252 PolarHBondContact O-N 2.95Å; L249-A252 PolarHBondContact O-N 3.35Å; E250-A252 VanDerWaalsContact C-N 3.31Å; E250-A252 PolarHBondContact O-N 3.36Å; A252-Y255 PolarHBondContact O-N 3.47Å; A252-N256 PolarHBondContact O-N 3.02Å
253K94.5Very high91Very high109 Ų10979.2 Ų79.247%0.47440%0.401SS..Hα-helixtrans-63-44.1172-66.1174.6-160.2156.10111.2L249 E250 Y255 N256 K257L249-K253 WeakPolarHBondContact O-CG 3.11Å; L249-K253 PolarHBondContact O-N 3.27Å; L249-K253 VanDerWaalsContact O-N 3.15Å; E250-K253 PolarHBondContact O-N 3.44Å; E250-K253 IonicContact OE2-NZ 3.35Å; E250-K253 PolarHBondContact OE2-NZ 2.93Å; K253-Y255 VanDerWaalsContact C-N 3.3Å; K253-Y255 PolarHBondContact O-N 3.32Å; K253-N256 PolarHBondContact O-N 3.3Å; K253-K257 PolarHBondContact O-N 3.01Å
254N91.2Very high90.5Very high63 Ų6383.8 Ų83.834%0.33742%0.415SS..Hα-helixtrans-64.3-37177.3-70.8-28000111.7E250 L251 K257 A258 P280E250-N254 PolarHBondContact O-N 3.1Å; E250-N254 PolarHBondContact O-ND2 3.31Å; L251-N254 CarbonylContact O-C 3.6Å; L251-N254 PolarHBondContact O-N 3.02Å; N254-K257 PolarHBondContact O-N 3.25Å; N254-A258 VanDerWaalsContact O-CB 3.31Å; N254-A258 WeakPolarHBondContact O-CB 3.25Å; N254-A258 PolarHBondContact O-N 3.35Å; N254-P280 HydrophobicContact CB-CB 4.27Å; N254-P280 HydrophobicContact CB-CG 4.03Å
255Y91.5Very high89.9Confident86 Ų8686.4 Ų86.434%0.33743%0.427SS..Hα-helixtrans-64.9-47.7174.7-176.7-111.6000111.7L251 A252 K253 K257 A258 V259 P280 K281 L284L251-Y255 WeakPolarHBondContact O-CB 3.34Å; L251-Y255 PolarHBondContact O-N 3.18Å; A252-Y255 PolarHBondContact O-N 3.47Å; K253-Y255 VanDerWaalsContact C-N 3.3Å; K253-Y255 PolarHBondContact O-N 3.32Å; Y255-K257 VanDerWaalsContact C-N 3.31Å; Y255-K257 PolarHBondContact O-N 3.13Å; Y255-A258 WeakPolarHBondContact O-CB 3.43Å; Y255-A258 PolarHBondContact O-N 2.87Å; Y255-V259 HydrophobicContact CD1-CG2 4.39Å; Y255-V259 HydrophobicContact CD2-CG2 4.43Å; Y255-V259 HydrophobicContact CE1-CG2 4Å; Y255-V259 HydrophobicContact CE2-CG2 4Å; Y255-V259 WeakPolarHBondContact O-CG2 3.26Å; Y255-V259 PolarHBondContact O-N 2.98Å; Y255-P280 HydrophobicContact CD2-CB 4.36Å; Y255-K281 HydrophobicContact CD2-CB 4.01Å; Y255-K281 HydrophobicContact CE2-CB 3.74Å; Y255-K281 HydrophobicContact CE2-CD 4.39Å; Y255-K281 HydrophobicContact CE2-CG 4.07Å; Y255-L284 HydrophobicContact CG-CD1 4.15Å
256N92.4Very high89.4Confident101 Ų10186 Ų8654%0.5442%0.424SS..Hα-helixtrans-56.6-46.5174.9-77.5-23.6000111.6A252 K253 A258 V259 E260A252-N256 PolarHBondContact O-N 3.02Å; K253-N256 PolarHBondContact O-N 3.3Å; N256-A258 VanDerWaalsContact C-N 3.32Å; N256-A258 PolarHBondContact O-N 3.26Å; N256-V259 PolarHBondContact O-N 3.16Å; N256-E260 WeakPolarHBondContact O-CG 3.41Å; N256-E260 PolarHBondContact O-N 3.36Å
257K89.5Confident88.7Confident121 Ų12184.8 Ų84.853%0.52643%0.43SS..Hα-helixtrans-62.4-39.1175.7-174178177.6-179.80112.2K253 N254 Y255 E260 E261K253-K257 PolarHBondContact O-N 3.01Å; N254-K257 PolarHBondContact O-N 3.25Å; Y255-K257 VanDerWaalsContact C-N 3.31Å; Y255-K257 PolarHBondContact O-N 3.13Å; K257-E260 PolarHBondContact O-N 3.34Å; K257-E261 WeakPolarHBondContact CE-OE1 3.47Å; K257-E261 WeakPolarHBondContact O-CG 3.43Å; K257-E261 PolarHBondContact O-N 3.28Å; K257-E261 VanDerWaalsContact O-N 3.12Å
258A86.1Confident88Confident33 Ų3387.8 Ų87.827%0.27344%0.444SS..Hα-helixtrans-63.1-42.7177.500000111.5N254 Y255 N256 E261 E262 P280N254-A258 VanDerWaalsContact O-CB 3.31Å; N254-A258 WeakPolarHBondContact O-CB 3.25Å; N254-A258 PolarHBondContact O-N 3.35Å; Y255-A258 WeakPolarHBondContact O-CB 3.43Å; Y255-A258 PolarHBondContact O-N 2.87Å; N256-A258 VanDerWaalsContact C-N 3.32Å; N256-A258 PolarHBondContact O-N 3.26Å; A258-E261 PolarHBondContact O-N 3.26Å; A258-E262 WeakPolarHBondContact O-CB 3.17Å; A258-E262 PolarHBondContact O-N 3.04Å; A258-P280 HydrophobicContact CB-CG 4.44Å
259V88.4Confident87.3Confident48 Ų4891.2 Ų91.229%0.29146%0.46SS..Hα-helixtrans-65.1-44.1176.8174.40000111.4Y255 N256 E261 E262 D263Y255-V259 HydrophobicContact CD1-CG2 4.39Å; Y255-V259 HydrophobicContact CD2-CG2 4.43Å; Y255-V259 HydrophobicContact CE1-CG2 4Å; Y255-V259 HydrophobicContact CE2-CG2 4Å; Y255-V259 WeakPolarHBondContact O-CG2 3.26Å; Y255-V259 PolarHBondContact O-N 2.98Å; N256-V259 PolarHBondContact O-N 3.16Å; V259-E261 PolarHBondContact O-N 3.14Å; V259-E262 WeakPolarHBondContact O-CB 3.27Å; V259-E262 PolarHBondContact O-N 3.36Å; V259-D263 PolarHBondContact O-N 2.97Å
260E88.4Confident86.4Confident121 Ų12187.7 Ų87.757%0.56544%0.441SS*.Hα-helixtrans-62.1-29.6176.1-73.6177.9-170.500113.7N256 K257 K264N256-E260 WeakPolarHBondContact O-CG 3.41Å; N256-E260 PolarHBondContact O-N 3.36Å; K257-E260 PolarHBondContact O-N 3.34Å; E260-K264 WeakPolarHBondContact O-CE 3.5Å
261E83.1Confident85.6Confident63 Ų6386.7 Ų86.729%0.29445%0.449SS..Hα-helixtrans-84.9-23.4174.8-66.9177.8-176.300112.3K257 A258 V259 K264 M265 K273K257-E261 WeakPolarHBondContact CE-OE1 3.47Å; K257-E261 WeakPolarHBondContact O-CG 3.43Å; K257-E261 PolarHBondContact O-N 3.28Å; K257-E261 VanDerWaalsContact O-N 3.12Å; A258-E261 PolarHBondContact O-N 3.26Å; V259-E261 PolarHBondContact O-N 3.14Å; E261-K264 PolarHBondContact O-N 3.35Å; E261-M265 WeakPolarHBondContact O-CG 3.18Å; E261-K273 VanDerWaalsContact OE2-CE 3.27Å; E261-K273 WeakPolarHBondContact OE2-CE 3.36Å; E261-K273 IonicContact OE2-NZ 3.86Å; E261-K273 PolarHBondContact OE2-NZ 3.04Å
262E82.9Confident85Confident102 Ų10292.4 Ų92.448%0.47748%0.478SS..Hα-helixtrans-65.7-44.6177.1-168.8176.2174.100111.3A258 V259 K264 M265 L270A258-E262 WeakPolarHBondContact O-CB 3.17Å; A258-E262 PolarHBondContact O-N 3.04Å; V259-E262 WeakPolarHBondContact O-CB 3.27Å; V259-E262 PolarHBondContact O-N 3.36Å; E262-K264 PolarHBondContact O-N 2.94Å; E262-M265 PolarHBondContact O-N 3.29Å; E262-M265 VanDerWaalsContact O-N 3.11Å; E262-L270 HydrophobicContact CB-CD2 4.3Å; E262-L270 HydrophobicContact CG-CD1 3.66Å; E262-L270 HydrophobicContact CG-CD2 3.95Å; E262-L270 HydrophobicContact CG-CG 4.46Å
263D83Confident84.1Confident141 Ų14192.8 Ų92.875%0.75447%0.473SS*.THydrogen-bonded Turntrans-58.3-18.4177.8-75.9-18.3000114.1V259V259-D263 PolarHBondContact O-N 2.97Å
264K85Confident83.1Confident166 Ų16692.1 Ų92.172%0.72248%0.475SS*.THydrogen-bonded Turntrans-99.9-4-175.6-63171.5-172158.70113.4E260 E261 E262E260-K264 WeakPolarHBondContact O-CE 3.5Å; E261-K264 PolarHBondContact O-N 3.35Å; E262-K264 PolarHBondContact O-N 2.94Å
265M80.8Confident82.5Confident72 Ų7294.8 Ų94.836%0.35549%0.493SS..SBendtrans-121.5155-169.9-68.2-174.9-177.500112.5E261 E262 Q269 L270 K273E261-M265 WeakPolarHBondContact O-CG 3.18Å; E262-M265 PolarHBondContact O-N 3.29Å; E262-M265 VanDerWaalsContact O-N 3.11Å; M265-Q269 HydrophobicContact CB-CB 4.5Å; M265-L270 HydrophobicContact CB-CD1 4.44Å; M265-L270 HydrophobicContact CB-CD2 3.95Å; M265-L270 HydrophobicContact CB-CG 3.91Å; M265-L270 HydrophobicContact SD-CD2 4.19Å; M265-K273 HydrophobicContact CE-CD 4.07Å; M265-K273 HydrophobicContact SD-CD 3.55Å; M265-K273 VanDerWaalsContact SD-CD 3.55Å
266T84.9Confident81.9Confident68 Ų6894.7 Ų94.742%0.41752%0.519SS..  trans-80.1156.3172.364.10000111E268 Q269 L270T266-E268 PolarHBondContact O-N 2.95Å; T266-E268 VanDerWaalsContact O-N 3.16Å; T266-Q269 PolarHBondContact O-N 3.26Å; T266-Q269 VanDerWaalsContact O-N 3.08Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.17Å; T266-L270 PolarHBondContact O-N 3.27Å; T266-L270 VanDerWaalsContact O-N 3.13Å
267P79.7Confident81.3Confident110 Ų11097 Ų9771%0.71452%0.524SS*.Hα-helixtrans-56.1-33.5-179.1-26.734.8000114.4L270 A271P267-L270 PolarHBondContact O-N 3.45Å; P267-A271 PolarHBondContact O-N 3.49Å
268E79Confident80.9Confident158 Ų15896.5 Ų96.574%0.73852%0.523SS*.Hα-helixtrans-70.8-35.9179.2-63.9172.617600112.3T266T266-E268 PolarHBondContact O-N 2.95Å; T266-E268 VanDerWaalsContact O-N 3.16Å
269Q77.9Confident80.8Confident111 Ų11198.1 Ų98.152%0.51953%0.528SS..Hα-helixtrans-72.9-34.9176.6-69.3174.6-13.900111.5M265 T266 I272 K273M265-Q269 HydrophobicContact CB-CB 4.5Å; T266-Q269 PolarHBondContact O-N 3.26Å; T266-Q269 VanDerWaalsContact O-N 3.08Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.17Å; Q269-I272 PolarHBondContact O-N 3.31Å; Q269-K273 VanDerWaalsContact O-CB 3.32Å; Q269-K273 WeakPolarHBondContact O-CB 3.18Å; Q269-K273 PolarHBondContact O-N 3.25Å
270L76.3Confident80.8Confident29 Ų2996.6 Ų96.615%0.15252%0.519CS..Hα-helixtrans-65.5-40.5176.3-70.6167.5000112.5E262 M265 T266 P267 I272 K273 N274E262-L270 HydrophobicContact CB-CD2 4.3Å; E262-L270 HydrophobicContact CG-CD1 3.66Å; E262-L270 HydrophobicContact CG-CD2 3.95Å; E262-L270 HydrophobicContact CG-CG 4.46Å; M265-L270 HydrophobicContact CB-CD1 4.44Å; M265-L270 HydrophobicContact CB-CD2 3.95Å; M265-L270 HydrophobicContact CB-CG 3.91Å; M265-L270 HydrophobicContact SD-CD2 4.19Å; T266-L270 PolarHBondContact O-N 3.27Å; T266-L270 VanDerWaalsContact O-N 3.13Å; P267-L270 PolarHBondContact O-N 3.45Å; L270-I272 PolarHBondContact O-N 2.91Å; L270-K273 PolarHBondContact O-N 3.43Å; L270-N274 PolarHBondContact O-N 3.4Å
271A76Confident80.7Confident72 Ų7295.8 Ų95.860%0.59551%0.513SS*.Hα-helixtrans-60.3-33.4177.700000112.8P267P267-A271 PolarHBondContact O-N 3.49Å
272I79.7Confident81Confident130 Ų130100.1 Ų100.167%0.66753%0.527SS*.Hα-helixtrans-85.8-36.1179.6-58.8168.2000111Q269 L270 N274 V275Q269-I272 PolarHBondContact O-N 3.31Å; L270-I272 PolarHBondContact O-N 2.91Å; I272-N274 VanDerWaalsContact C-N 3.26Å; I272-N274 PolarHBondContact O-N 2.9Å; I272-V275 WeakPolarHBondContact O-CB 3.34Å; I272-V275 PolarHBondContact O-N 3.28Å
273K76.4Confident81.4Confident44 Ų4497.7 Ų97.719%0.19152%0.516CS..Hα-helixtrans-60.9-32.8-177.2-179.7179.5176.5-169.10113.8E261 M265 Q269 L270 V275E261-K273 VanDerWaalsContact OE2-CE 3.27Å; E261-K273 WeakPolarHBondContact OE2-CE 3.36Å; E261-K273 IonicContact OE2-NZ 3.86Å; E261-K273 PolarHBondContact OE2-NZ 3.04Å; M265-K273 HydrophobicContact CE-CD 4.07Å; M265-K273 HydrophobicContact SD-CD 3.55Å; M265-K273 VanDerWaalsContact SD-CD 3.55Å; Q269-K273 VanDerWaalsContact O-CB 3.32Å; Q269-K273 WeakPolarHBondContact O-CB 3.18Å; Q269-K273 PolarHBondContact O-N 3.25Å; L270-K273 PolarHBondContact O-N 3.43Å; K273-V275 PolarHBondContact O-N 3.07Å
274N73.4Confident81.8Confident95 Ų9592.5 Ų92.551%0.50849%0.488SS..THydrogen-bonded Turntrans-81.2-5.4-176.7-63.9-11.1000112.7L270 I272 G276L270-N274 PolarHBondContact O-N 3.4Å; I272-N274 VanDerWaalsContact C-N 3.26Å; I272-N274 PolarHBondContact O-N 2.9Å; N274-G276 PolarHBondContact O-N 2.86Å
275V78.7Confident82.1Confident119 Ų11989.8 Ų89.872%0.72148%0.477SS*.THydrogen-bonded Turntrans-80.2114.6177.9-174.80000109.8I272 K273I272-V275 WeakPolarHBondContact O-CB 3.34Å; I272-V275 PolarHBondContact O-N 3.28Å; K273-V275 PolarHBondContact O-N 3.07Å
276G78.4Confident82.7Confident85 Ų8590.3 Ų90.388%0.87648%0.479SS*.THydrogen-bonded Turntrans89.84.4177.100000115.4N274N274-G276 PolarHBondContact O-N 2.86Å
277K80.5Confident83.1Confident148 Ų14889.1 Ų89.164%0.64347%0.469SS*.SBendtrans-114.6153.4170.2-68.7-178.2-179.81770110.3D279K277-D279 PolarHBondContact O-N 3.1Å
278Q79.4Confident83.8Confident111 Ų11186.4 Ų86.452%0.51945%0.45SS..  trans-65.8121.6174.2-167.4178.613.900109.2P280 H283Q278-P280 WeakPolarHBondContact O-CD 3.48Å; Q278-H283 WeakPolarHBondContact CG-CE1 3.34Å; Q278-H283 WeakPolarHBondContact CG-ND1 3.45Å; Q278-H283 PolarHBondContact NE2-CD2 3.13Å; Q278-H283 PolarHBondContact NE2-NE2 3.3Å
279D85.5Confident84.5Confident68 Ų6883.9 Ų83.936%0.36444%0.441SS..  trans-76.7108.2171.8-178.1-7000109.1K277 K281 R282 H283K277-D279 PolarHBondContact O-N 3.1Å; D279-K281 VanDerWaalsContact C-N 3.26Å; D279-K281 PolarHBondContact O-N 3.25Å; D279-K281 PolarHBondContact OD1-N 3.33Å; D279-K281 VanDerWaalsContact OD1-N 3.09Å; D279-R282 HydrophobicContact CB-CB 4.28Å; D279-H283 PolarHBondContact O-N 3.47Å; D279-H283 PolarHBondContact O-ND1 3.1Å
280P87Confident85.2Confident16 Ų1682.6 Ų82.610%0.10444%0.441CS..Hα-helixtrans-65.2-31.6-174.6-18.632.9000112.3N254 Y255 A258 Q278 L284N254-P280 HydrophobicContact CB-CB 4.27Å; N254-P280 HydrophobicContact CB-CG 4.03Å; Y255-P280 HydrophobicContact CD2-CB 4.36Å; A258-P280 HydrophobicContact CB-CG 4.44Å; Q278-P280 WeakPolarHBondContact O-CD 3.48Å; P280-L284 WeakPolarHBondContact O-CB 3.35Å; P280-L284 VanDerWaalsContact O-CG 3.23Å; P280-L284 WeakPolarHBondContact O-CG 3.48Å; P280-L284 PolarHBondContact O-N 2.99Å
281K87.5Confident86Confident104 Ų10482.8 Ų82.845%0.45244%0.442SS..Hα-helixtrans-65-51.9-177.9-175.2-177.8173.8-177.10110.7Y255 D279 H283 L284 E285Y255-K281 HydrophobicContact CD2-CB 4.01Å; Y255-K281 HydrophobicContact CE2-CB 3.74Å; Y255-K281 HydrophobicContact CE2-CD 4.39Å; Y255-K281 HydrophobicContact CE2-CG 4.07Å; D279-K281 VanDerWaalsContact C-N 3.26Å; D279-K281 PolarHBondContact O-N 3.25Å; D279-K281 PolarHBondContact OD1-N 3.33Å; D279-K281 VanDerWaalsContact OD1-N 3.09Å; K281-H283 VanDerWaalsContact C-N 3.32Å; K281-H283 PolarHBondContact O-N 3.1Å; K281-L284 PolarHBondContact O-N 3.42Å; K281-E285 WeakPolarHBondContact CE-OE1 3.48Å; K281-E285 PolarHBondContact O-N 2.78Å; K281-E285 VanDerWaalsContact O-N 3.08Å
282R89.4Confident86.8Confident153 Ų15384.3 Ų84.358%0.57744%0.438SS*.Hα-helixtrans-60.6-41.4-180-178.2179.9163.9171.6-0.4112.1D279 E285 E286D279-R282 HydrophobicContact CB-CB 4.28Å; R282-E285 PolarHBondContact O-N 3.43Å; R282-E286 IonicContact CZ-OE1 2.68Å; R282-E286 IonicContact NE-OE1 3.59Å; R282-E286 PolarHBondContact NE-OE1 3.41Å; R282-E286 IonicContact NH2-OE1 3.94Å; R282-E286 PolarHBondContact NH2-OE1 2.83Å; R282-E286 WeakPolarHBondContact O-CG 3.41Å; R282-E286 PolarHBondContact O-N 2.82Å
283H90.1Very high87.3Confident52 Ų5282.2 Ų82.224%0.24143%0.432CS..Hα-helixtrans-70.9-34.8179.4-70.378.7000112.3L251 Q278 D279 K281 E285 E286 H287L251-H283 HydrophobicContact CD1-CB 3.9Å; L251-H283 HydrophobicContact CD2-CB 4.2Å; Q278-H283 WeakPolarHBondContact CG-CE1 3.34Å; Q278-H283 WeakPolarHBondContact CG-ND1 3.45Å; Q278-H283 PolarHBondContact NE2-CD2 3.13Å; Q278-H283 PolarHBondContact NE2-NE2 3.3Å; D279-H283 PolarHBondContact O-N 3.47Å; D279-H283 PolarHBondContact O-ND1 3.1Å; K281-H283 VanDerWaalsContact C-N 3.32Å; K281-H283 PolarHBondContact O-N 3.1Å; H283-E285 VanDerWaalsContact C-N 3.35Å; H283-E286 PolarHBondContact O-N 3.49Å; H283-H287 PolarHBondContact O-CD2 2.91Å; H283-H287 PolarHBondContact O-N 3.37Å
284L91.9Very high88Confident32 Ų3281.5 Ų81.517%0.16843%0.432CS..Hα-helixtrans-60.8-45171.8-76170.1000111.2M248 L251 Y255 P280 K281 H287 V288M248-L284 HydrophobicContact CB-CD2 4.31Å; M248-L284 HydrophobicContact CE-CD2 4.18Å; M248-L284 HydrophobicContact CG-CD2 4.39Å; L251-L284 HydrophobicContact CB-CD2 3.66Å; L251-L284 HydrophobicContact CB-CG 3.91Å; L251-L284 HydrophobicContact CD1-CD2 4.46Å; Y255-L284 HydrophobicContact CG-CD1 4.15Å; P280-L284 WeakPolarHBondContact O-CB 3.35Å; P280-L284 VanDerWaalsContact O-CG 3.23Å; P280-L284 WeakPolarHBondContact O-CG 3.48Å; P280-L284 PolarHBondContact O-N 2.99Å; K281-L284 PolarHBondContact O-N 3.42Å; L284-H287 PolarHBondContact O-N 3.06Å; L284-V288 WeakPolarHBondContact O-CB 3.31Å; L284-V288 VanDerWaalsContact O-CG2 3.23Å; L284-V288 WeakPolarHBondContact O-CG2 3.28Å; L284-V288 PolarHBondContact O-N 3.41Å
285E92.4Very high89Confident108 Ų10879 Ų7951%0.50542%0.419SS..Hα-helixtrans-59.8-48.5175.5-69.7172.7-17200111.4K281 R282 H283 H287 V288 D289K281-E285 WeakPolarHBondContact CE-OE1 3.48Å; K281-E285 PolarHBondContact O-N 2.78Å; K281-E285 VanDerWaalsContact O-N 3.08Å; R282-E285 PolarHBondContact O-N 3.43Å; H283-E285 VanDerWaalsContact C-N 3.35Å; E285-H287 PolarHBondContact O-N 2.88Å; E285-V288 PolarHBondContact O-N 3.37Å; E285-D289 PolarHBondContact O-N 3.35Å
286E93.3Very high89.6Confident84 Ų8478 Ų7839%0.39341%0.408SS..Hα-helixtrans-58.9-42.3177.8-72.4174-173.100112.4R282 H283 V290R282-E286 IonicContact CZ-OE1 2.68Å; R282-E286 IonicContact NE-OE1 3.59Å; R282-E286 PolarHBondContact NE-OE1 3.41Å; R282-E286 IonicContact NH2-OE1 3.94Å; R282-E286 PolarHBondContact NH2-OE1 2.83Å; R282-E286 WeakPolarHBondContact O-CG 3.41Å; R282-E286 PolarHBondContact O-N 2.82Å; H283-E286 PolarHBondContact O-N 3.49Å; E286-V290 WeakPolarHBondContact O-CG2 3.23Å; E286-V290 PolarHBondContact O-N 3.08Å
287H92.8Very high90.1Very high43 Ų4378.1 Ų78.120%0.19939%0.392CS..Hα-helixtrans-71-36.6177.7-71.9-55.1000113.2V244 E247 M248 L251 H283 L284 E285 D289 V290 L291V244-H287 HydrophobicContact CG1-CB 4.3Å; E247-H287 IonicContact OE2-CE1 2.85Å; M248-H287 HydrophobicContact CG-CB 3.91Å; M248-H287 HydrophobicContact SD-CB 4.2Å; L251-H287 WeakPolarHBondContact CD1-CD2 3.35Å; H283-H287 PolarHBondContact O-CD2 2.91Å; H283-H287 PolarHBondContact O-N 3.37Å; L284-H287 PolarHBondContact O-N 3.06Å; E285-H287 PolarHBondContact O-N 2.88Å; H287-D289 VanDerWaalsContact C-N 3.34Å; H287-V290 PolarHBondContact O-N 3.35Å; H287-L291 VanDerWaalsContact O-CB 3.23Å; H287-L291 WeakPolarHBondContact O-CB 3.46Å; H287-L291 PolarHBondContact O-N 3.43Å
288V94.2Very high90.6Very high52 Ų5271.7 Ų71.732%0.31536%0.364SS..Hα-helixtrans-61.5-45.2175.3168.70000110.3M248 L284 E285 V290 L291 M292M248-V288 HydrophobicContact CE-CG2 3.47Å; M248-V288 VanDerWaalsContact CE-CG2 3.47Å; L284-V288 WeakPolarHBondContact O-CB 3.31Å; L284-V288 VanDerWaalsContact O-CG2 3.23Å; L284-V288 WeakPolarHBondContact O-CG2 3.28Å; L284-V288 PolarHBondContact O-N 3.41Å; E285-V288 PolarHBondContact O-N 3.37Å; V288-V290 PolarHBondContact O-N 2.63Å; V288-L291 PolarHBondContact O-N 2.86Å; V288-M292 HydrophobicContact CG1-CG 4.12Å; V288-M292 HydrophobicContact CG1-SD 3.77Å; V288-M292 VanDerWaalsContact O-CB 3.28Å; V288-M292 WeakPolarHBondContact O-CB 3.36Å; V288-M292 VanDerWaalsContact O-CG 3.32Å; V288-M292 WeakPolarHBondContact O-CG 3.36Å; V288-M292 PolarHBondContact O-N 3.19Å
289D93.9Very high91.2Very high105 Ų10569.6 Ų69.656%0.56136%0.361SS*.Hα-helixtrans-61.4-44.5179.3-77.4-16.9000111.8E285 H287 T293E285-D289 PolarHBondContact O-N 3.35Å; H287-D289 VanDerWaalsContact C-N 3.34Å; D289-T293 WeakPolarHBondContact O-CB 3.47Å; D289-T293 WeakPolarHBondContact O-CG2 3.35Å; D289-T293 PolarHBondContact O-N 3.25Å; D289-T293 PolarHBondContact O-OG1 3.02Å
290V92.2Very high91.4Very high84 Ų8471 Ų7151%0.50937%0.368SS..Hα-helixtrans-64.7-46176.8174.30000111.3E286 H287 V288 T293 S294E286-V290 WeakPolarHBondContact O-CG2 3.23Å; E286-V290 PolarHBondContact O-N 3.08Å; H287-V290 PolarHBondContact O-N 3.35Å; V288-V290 PolarHBondContact O-N 2.63Å; V290-T293 PolarHBondContact O-OG1 3.41Å; V290-T293 VanDerWaalsContact O-OG1 3.07Å; V290-S294 VanDerWaalsContact O-CB 3.26Å; V290-S294 WeakPolarHBondContact O-CB 3.21Å; V290-S294 PolarHBondContact O-N 2.98Å
291L93.1Very high91.5Very high34 Ų3470.5 Ų70.518%0.17837%0.365CS..Hα-helixtrans-65.1-44-178.6-170.772.7000111.4N241 V244 V245 M248 H287 V288 N295N241-L291 VanDerWaalsContact OD1-CD1 3.23Å; N241-L291 WeakPolarHBondContact OD1-CD1 3.22Å; V244-L291 HydrophobicContact CB-CD1 4.35Å; V244-L291 HydrophobicContact CG1-CB 4.49Å; V244-L291 HydrophobicContact CG1-CD1 4.17Å; V245-L291 HydrophobicContact CG2-CD2 4.33Å; M248-L291 HydrophobicContact SD-CD2 4.28Å; H287-L291 VanDerWaalsContact O-CB 3.23Å; H287-L291 WeakPolarHBondContact O-CB 3.46Å; H287-L291 PolarHBondContact O-N 3.43Å; V288-L291 PolarHBondContact O-N 2.86Å; L291-N295 WeakPolarHBondContact CD1-ND2 3.3Å; L291-N295 WeakPolarHBondContact O-CB 3.05Å; L291-N295 PolarHBondContact O-N 3.35Å; L291-N295 PolarHBondContact O-ND2 2.92Å
292M93.1Very high91.6Very high104 Ų10466.6 Ų66.651%0.51235%0.352SS..Hα-helixtrans-65.1-49.5178.5-77.3-171.86300111.3V288 S294 N295 I296V288-M292 HydrophobicContact CG1-CG 4.12Å; V288-M292 HydrophobicContact CG1-SD 3.77Å; V288-M292 VanDerWaalsContact O-CB 3.28Å; V288-M292 WeakPolarHBondContact O-CB 3.36Å; V288-M292 VanDerWaalsContact O-CG 3.32Å; V288-M292 WeakPolarHBondContact O-CG 3.36Å; V288-M292 PolarHBondContact O-N 3.19Å; M292-S294 VanDerWaalsContact C-N 3.35Å; M292-S294 PolarHBondContact O-N 3.06Å; M292-N295 PolarHBondContact O-N 3.26Å; M292-I296 HydrophobicContact CB-CD1 4.3Å; M292-I296 HydrophobicContact CE-CD1 4.1Å; M292-I296 VanDerWaalsContact O-CB 3.27Å; M292-I296 WeakPolarHBondContact O-CB 3.3Å; M292-I296 WeakPolarHBondContact O-CD1 3.29Å; M292-I296 WeakPolarHBondContact O-CG1 3.09Å; M292-I296 PolarHBondContact O-N 3.46Å
293T91.2Very high91.6Very high86 Ų8665.3 Ų65.353%0.52836%0.355SS..Hα-helixtrans-61.7-43.9-179520000111.7D289 V290 V297D289-T293 WeakPolarHBondContact O-CB 3.47Å; D289-T293 WeakPolarHBondContact O-CG2 3.35Å; D289-T293 PolarHBondContact O-N 3.25Å; D289-T293 PolarHBondContact O-OG1 3.02Å; V290-T293 PolarHBondContact O-OG1 3.41Å; V290-T293 VanDerWaalsContact O-OG1 3.07Å; T293-V297 WeakPolarHBondContact O-CB 3.44Å; T293-V297 WeakPolarHBondContact O-CG2 3.41Å; T293-V297 PolarHBondContact O-N 2.98Å; T293-V297 VanDerWaalsContact O-N 3.17Å
294S91Very high91.6Very high29 Ų2966.7 Ų66.720%0.20336%0.363CS..Hα-helixtrans-63.9-49.2179.2-169.70000112.3H237 V290 M292 Q298H237-S294 PolarHBondContact CE1-OG 3.41Å; H237-S294 VanDerWaalsContact CE1-OG 3.26Å; V290-S294 VanDerWaalsContact O-CB 3.26Å; V290-S294 WeakPolarHBondContact O-CB 3.21Å; V290-S294 PolarHBondContact O-N 2.98Å; M292-S294 VanDerWaalsContact C-N 3.35Å; M292-S294 PolarHBondContact O-N 3.06Å; S294-Q298 WeakPolarHBondContact O-CB 3.35Å; S294-Q298 PolarHBondContact O-N 3.17Å
295N92.6Very high91.4Very high42 Ų4266.7 Ų66.723%0.22536%0.363CS..Hα-helixtrans-70.4-41.1-177.5-75.9-65.3000112.8H237 N241 L291 M292 V297 Q298 C299H237-N295 PolarHBondContact NE2-OD1 3.46Å; N241-N295 PolarHBondContact ND2-OD1 3.33Å; N241-N295 PolarHBondContact OD1-ND2 3.46Å; N241-N295 PolarHBondContact OD1-OD1 2.91Å; L291-N295 WeakPolarHBondContact CD1-ND2 3.3Å; L291-N295 WeakPolarHBondContact O-CB 3.05Å; L291-N295 PolarHBondContact O-N 3.35Å; L291-N295 PolarHBondContact O-ND2 2.92Å; M292-N295 PolarHBondContact O-N 3.26Å; N295-V297 VanDerWaalsContact C-N 3.34Å; N295-V297 PolarHBondContact O-N 3.45Å; N295-Q298 PolarHBondContact O-N 2.93Å; N295-C299 VanDerWaalsContact O-CB 3.31Å; N295-C299 WeakPolarHBondContact O-CB 3.26Å; N295-C299 PolarHBondContact O-N 3.13Å; N295-C299 PolarHBondContact O-SG 3.07Å
296I91.8Very high91.3Very high98 Ų9866.1 Ų66.150%0.50337%0.367SS..Hα-helixtrans-63-43.9178.9-67.9167.4000110.3M292 L300M292-I296 HydrophobicContact CB-CD1 4.3Å; M292-I296 HydrophobicContact CE-CD1 4.1Å; M292-I296 VanDerWaalsContact O-CB 3.27Å; M292-I296 WeakPolarHBondContact O-CB 3.3Å; M292-I296 WeakPolarHBondContact O-CD1 3.29Å; M292-I296 WeakPolarHBondContact O-CG1 3.09Å; M292-I296 PolarHBondContact O-N 3.46Å; I296-L300 WeakPolarHBondContact O-CB 3.42Å; I296-L300 PolarHBondContact O-N 3.19Å
297V90.3Very high91.2Very high87 Ų8767.2 Ų67.253%0.52738%0.379SS..Hα-helixtrans-64.4-46.8178.3172.20000110.9T293 N295 L300 A301T293-V297 WeakPolarHBondContact O-CB 3.44Å; T293-V297 WeakPolarHBondContact O-CG2 3.41Å; T293-V297 PolarHBondContact O-N 2.98Å; T293-V297 VanDerWaalsContact O-N 3.17Å; N295-V297 VanDerWaalsContact C-N 3.34Å; N295-V297 PolarHBondContact O-N 3.45Å; V297-L300 PolarHBondContact O-N 3.13Å; V297-A301 VanDerWaalsContact O-CB 3.25Å; V297-A301 WeakPolarHBondContact O-CB 3.24Å; V297-A301 PolarHBondContact O-N 3.42Å
298Q90.3Very high91Very high13 Ų1369.7 Ų69.76%0.06140%0.397CS..Hα-helixtrans-63.7-43.8179.8-174.373.14.800112.1Q232 S294 N295 A302Q232-Q298 VanDerWaalsContact N-OE1 3.09Å; Q232-Q298 PolarHBondContact O-NE2 2.69Å; S294-Q298 WeakPolarHBondContact O-CB 3.35Å; S294-Q298 PolarHBondContact O-N 3.17Å; N295-Q298 PolarHBondContact O-N 2.93Å; Q298-A302 WeakPolarHBondContact O-CB 3.37Å; Q298-A302 PolarHBondContact O-N 2.96Å; Q298-A302 VanDerWaalsContact O-N 3.08Å
299C90.8Very high90.6Very high68 Ų6873.6 Ų73.646%0.45941%0.41SS..Hα-helixtrans-64.2-44.8176.9-72.50000111.9N295 A302 M303N295-C299 VanDerWaalsContact O-CB 3.31Å; N295-C299 WeakPolarHBondContact O-CB 3.26Å; N295-C299 PolarHBondContact O-N 3.13Å; N295-C299 PolarHBondContact O-SG 3.07Å; C299-A302 PolarHBondContact O-N 3.25Å; C299-M303 HydrophobicContact CB-CE 4.44Å; C299-M303 WeakPolarHBondContact O-CG 3.3Å; C299-M303 PolarHBondContact O-N 3.19Å; C299-M303 VanDerWaalsContact O-N 3.08Å
300L89.9Confident89.1Confident97 Ų9780 Ų8051%0.50843%0.433SS..Hα-helixtrans-65.9-42.5179.5-178.362.8000111.5I296 V297 A302 M303 L304I296-L300 WeakPolarHBondContact O-CB 3.42Å; I296-L300 PolarHBondContact O-N 3.19Å; V297-L300 PolarHBondContact O-N 3.13Å; L300-A302 VanDerWaalsContact C-N 3.31Å; L300-A302 PolarHBondContact O-N 3.19Å; L300-M303 PolarHBondContact O-N 3.19Å; L300-L304 HydrophobicContact CD1-CD1 4.46Å; L300-L304 HydrophobicContact CD1-CG 4.43Å; L300-L304 HydrophobicContact CG-CD1 4.07Å; L300-L304 HydrophobicContact CG-CG 4.48Å; L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 WeakPolarHBondContact O-CG 3.32Å; L300-L304 PolarHBondContact O-N 3.15Å
301A89.4Confident89Confident5 Ų579.9 Ų79.94%0.04143%0.43CS..Hα-helixtrans-58.3-4517600000111L231 V297 M303 L304 D305L231-A301 HydrophobicContact CD2-CB 3.59Å; L231-A301 HydrophobicContact CG-CB 4.49Å; V297-A301 VanDerWaalsContact O-CB 3.25Å; V297-A301 WeakPolarHBondContact O-CB 3.24Å; V297-A301 PolarHBondContact O-N 3.42Å; A301-M303 PolarHBondContact O-N 3.11Å; A301-L304 PolarHBondContact O-N 3.39Å; A301-D305 PolarHBondContact O-N 3.05Å
302A89.8Confident88.8Confident23 Ų2382.3 Ų82.319%0.1944%0.443CS..Hα-helixtrans-64.3-41.1179.400000111.9L231 Y234 Q298 C299 L300 D305 T306L231-A302 HydrophobicContact CD2-CB 3.97Å; Y234-A302 WeakPolarHBondContact OH-CB 3.22Å; Q298-A302 WeakPolarHBondContact O-CB 3.37Å; Q298-A302 PolarHBondContact O-N 2.96Å; Q298-A302 VanDerWaalsContact O-N 3.08Å; C299-A302 PolarHBondContact O-N 3.25Å; L300-A302 VanDerWaalsContact C-N 3.31Å; L300-A302 PolarHBondContact O-N 3.19Å; A302-D305 PolarHBondContact O-N 3.22Å; A302-T306 WeakPolarHBondContact O-CG2 3.31Å; A302-T306 PolarHBondContact O-N 3.25Å
303M90.1Very high88.5Confident126 Ų12681.1 Ų81.162%0.62144%0.439SS*.Hα-helixtrans-63.4-43.4175.4-69.1-178.8-155.100111.7C299 L300 A301 T306C299-M303 HydrophobicContact CB-CE 4.44Å; C299-M303 WeakPolarHBondContact O-CG 3.3Å; C299-M303 PolarHBondContact O-N 3.19Å; C299-M303 VanDerWaalsContact O-N 3.08Å; L300-M303 PolarHBondContact O-N 3.19Å; A301-M303 PolarHBondContact O-N 3.11Å; M303-T306 PolarHBondContact O-N 2.9Å; M303-T306 PolarHBondContact O-OG1 3.48Å
304L89.3Confident88.4Confident80 Ų8080.8 Ų80.842%0.41943%0.434SS..Hα-helixtrans-61.9-45.1177.8-74.4170000111.4L300 A301 T306 V307 V308L300-L304 HydrophobicContact CD1-CD1 4.46Å; L300-L304 HydrophobicContact CD1-CG 4.43Å; L300-L304 HydrophobicContact CG-CD1 4.07Å; L300-L304 HydrophobicContact CG-CG 4.48Å; L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 WeakPolarHBondContact O-CG 3.32Å; L300-L304 PolarHBondContact O-N 3.15Å; A301-L304 PolarHBondContact O-N 3.39Å; L304-T306 VanDerWaalsContact C-N 3.29Å; L304-T306 PolarHBondContact O-N 3.13Å; L304-V307 PolarHBondContact O-N 3.34Å; L304-V307 VanDerWaalsContact O-N 3.09Å; L304-V308 WeakPolarHBondContact O-CB 3.36Å; L304-V308 WeakPolarHBondContact O-CG2 3.29Å; L304-V308 PolarHBondContact O-N 3.12Å
305D88.7Confident88.2Confident32 Ų3284 Ų8417%0.17145%0.448CS..Hα-helixtrans-59.9-39.7-178.2-73.5-16.6000112.3L231 A301 A302 V307 F309L231-D305 VanDerWaalsContact CD1-OD2 3.22Å; L231-D305 WeakPolarHBondContact CD1-OD2 3.44Å; A301-D305 PolarHBondContact O-N 3.05Å; A302-D305 PolarHBondContact O-N 3.22Å; D305-V307 PolarHBondContact O-N 2.97Å; D305-F309 HydrophobicContact CB-CD2 4.19Å; D305-F309 PolarHBondContact O-N 2.75Å; D305-F309 WeakPolarHBondContact OD1-CD2 3.3Å; D305-F309 WeakPolarHBondContact OD1-CE2 3.14Å
306T90.1Very high87.9Confident96 Ų9686.8 Ų86.859%0.58946%0.463SS*.Hα-helixtrans-66.2-20.3179.164.30000114.6A302 M303 L304 K310A302-T306 WeakPolarHBondContact O-CG2 3.31Å; A302-T306 PolarHBondContact O-N 3.25Å; M303-T306 PolarHBondContact O-N 2.9Å; M303-T306 PolarHBondContact O-OG1 3.48Å; L304-T306 VanDerWaalsContact C-N 3.29Å; L304-T306 PolarHBondContact O-N 3.13Å; T306-K310 WeakPolarHBondContact O-CG 3.27Å
307V91.3Very high87.6Confident107 Ų10786 Ų8665%0.64846%0.46SS*.Hα-helixtrans-99.5-41.7179.5179.60000110.9L304 D305L304-V307 PolarHBondContact O-N 3.34Å; L304-V307 VanDerWaalsContact O-N 3.09Å; D305-V307 PolarHBondContact O-N 2.97Å
308V88.3Confident87.4Confident95 Ų9585.9 Ų85.958%0.57646%0.455SS*.Hα-helixtrans-80-39.3-173.6176.70000112.2L304L304-V308 WeakPolarHBondContact O-CB 3.36Å; L304-V308 WeakPolarHBondContact O-CG2 3.29Å; L304-V308 PolarHBondContact O-N 3.12Å
309F84.9Confident87.2Confident134 Ų13492 Ų9259%0.58849%0.488SS*.  trans-104.835.6-173.8-61.6-70000113.7L229 D305L229-F309 HydrophobicContact CD2-CE2 4.41Å; D305-F309 HydrophobicContact CB-CD2 4.19Å; D305-F309 PolarHBondContact O-N 2.75Å; D305-F309 WeakPolarHBondContact OD1-CD2 3.3Å; D305-F309 WeakPolarHBondContact OD1-CE2 3.14Å
310K63.6Low86.9Confident241 Ų24194.2 Ų94.2100%1.04849%0.491SS*.  trans-64.80173.1-87.5-171.5175.3177.70113.8T306T306-K310 WeakPolarHBondContact O-CG 3.27Å

Retrieved 310 of 310 residues in 84 ms (Link to these results)

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