A0A077ZCH8_TRITR Loading...

AN1 type zinc finger protein 2B

AlphaFold DB , UniProt , Accession A0A077ZCH8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 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
1M48.4Very low62.5Low216 Ų216112.8 Ų112.8100%1.06459%0.588SS**  0108.60-167.1154-169.100106.7
2E53.3Low63.1Low185 Ų185113.3 Ų113.386%0.86458%0.582SS**  trans-95.9117.5-175.3-8.1-173.196.400105.4P4E2-P4 WeakPolarHBondContact O-CD 3.48Å; E2-P4 WeakPolarHBondContact O-CG 3.46Å
3F56.5Low63.4Low151 Ų151120.3 Ų120.366%0.66261%0.606SS**  trans-81.9101.9-176.7-70.2-87.3000109.5D5 L6F3-D5 VanDerWaalsContact C-N 3.3Å; F3-D5 PolarHBondContact O-N 2.99Å; F3-L6 HydrophobicContact CB-CD1 3.56Å; F3-L6 HydrophobicContact CB-CG 3.99Å; F3-L6 HydrophobicContact CD1-CD1 4.21Å; F3-L6 HydrophobicContact CD2-CD1 4.47Å; F3-L6 HydrophobicContact CG-CD1 3.86Å
4P58.9Low63.7Low112 Ų112118.1 Ų118.173%0.72762%0.616SS**THydrogen-bonded Turntrans-84.1-4.2-169.6-5.526.6000113.6E2E2-P4 WeakPolarHBondContact O-CD 3.48Å; E2-P4 WeakPolarHBondContact O-CG 3.46Å
5D59.4Low64Low150 Ų150111.9 Ų111.980%0.80259%0.586SS**THydrogen-bonded Turntrans-12116.2-169.4-83.3-68.7000114.2F3F3-D5 VanDerWaalsContact C-N 3.3Å; F3-D5 PolarHBondContact O-N 2.99Å
6L57.7Low64.1Low103 Ų103113.9 Ų113.954%0.53959%0.591SS.*  trans-94.2114.5176.6-64.1175.7000109.7F3 F20F3-L6 HydrophobicContact CB-CD1 3.56Å; F3-L6 HydrophobicContact CB-CG 3.99Å; F3-L6 HydrophobicContact CD1-CD1 4.21Å; F3-L6 HydrophobicContact CD2-CD1 4.47Å; F3-L6 HydrophobicContact CG-CD1 3.86Å; L6-F20 HydrophobicContact CB-CD1 4.24Å; L6-F20 HydrophobicContact CB-CE1 3.91Å; L6-F20 WeakPolarHBondContact O-CD1 3.43Å; L6-F20 WeakPolarHBondContact O-CE1 3.4Å
7G62.4Low64.5Low31 Ų31115.3 Ų115.332%0.3259%0.594SS.*SBendtrans127.8155.5178.900000112.7D19G7-D19 CarbonylContact C-O 3.59Å; G7-D19 WeakPolarHBondContact CA-O 3.38Å
8C68.3Low64.8Low39 Ų39114.1 Ų114.126%0.26459%0.588SS.*EExtended strand (participates in β ladder)trans-110.5136.6174-65.50000110.1D19 P22 K31C8-D19 PolarHBondContact N-O 3.35Å; C8-D19 PolarHBondContact O-N 3.21Å; C8-D19 VanDerWaalsContact O-N 3.1Å; C8-P22 HydrophobicContact CB-CB 3.94Å; C8-P22 HydrophobicContact CB-CG 3.77Å; C8-K31 HydrophobicContact CB-CD 3.59Å; C8-K31 PolarHBondContact SG-NZ 3.5Å
9R73.7Confident65Low171 Ų171110.6 Ų110.665%0.64557%0.571SS**EExtended strand (participates in β ladder)trans-68.1136172.3-75.2179.6147.7163.3-7.3110.4L18R9-L18 HydrophobicContact CB-CD2 4.5Å; R9-L18 HydrophobicContact CG-CD2 3.48Å; R9-L18 VanDerWaalsContact CG-CD2 3.48Å; R9-L18 HydrophobicContact CG-CG 4.09Å
10C75.6Confident65.1Low13 Ų13112.6 Ų112.69%0.08858%0.575CS.*  trans-62137.5171.2178.10000111F12 C15 Q17 C33C10-F12 PolarHBondContact O-N 3.04Å; C10-F12 PolarHBondContact SG-N 3.32Å; C10-C15 HydrophobicContact CB-CB 4.15Å; C10-C15 VanDerWaalsContact CB-O 3.26Å; C10-C15 WeakPolarHBondContact CB-O 3.45Å; C10-Q17 PolarHBondContact N-O 3.35Å; C10-Q17 VanDerWaalsContact N-O 3.13Å; C10-C33 HydrophobicContact CB-CB 3.72Å; C10-C33 PolarHBondContact SG-N 3.32Å; C10-C33 VanDerWaalsContact SG-N 3.39Å; C10-C33 PolarHBondContact SG-SG 3.46Å
11S73.2Confident65.3Low70 Ų70114.2 Ų114.249%0.4959%0.585SS.*SBendtrans-81.5-0.1-178.2-167.50000113.2K31S11-K31 WeakPolarHBondContact CB-O 3.35Å; S11-K31 PolarHBondContact N-O 3.41Å
12F69.2Low66.2Low119 Ų119105.7 Ų105.752%0.52255%0.545SS..SBendtrans-82.4126.5176.9-169.4-114.1000110.3C10 A14 C15 F32C10-F12 PolarHBondContact O-N 3.04Å; C10-F12 PolarHBondContact SG-N 3.32Å; F12-A14 HydrophobicContact CD1-CB 3.89Å; F12-A14 HydrophobicContact CE1-CB 3.65Å; F12-A14 PolarHBondContact O-N 2.94Å; F12-C15 HydrophobicContact CB-CB 4.32Å; F12-C15 HydrophobicContact CD1-CB 4.31Å; F12-C15 CarbonylContact O-C 3.6Å; F12-C15 PolarHBondContact O-N 3.43Å; F12-F32 HydrophobicContact CB-CD1 4.35Å; F12-F32 HydrophobicContact CB-CE1 4.46Å
13K67.5Low67.1Low204 Ų204101 Ų10189%0.88753%0.525SS*.THydrogen-bonded Turntrans-57.2-25-172.9-67.6-173.3179-177.50114.4
14A67.7Low68Low90 Ų90102.1 Ų102.174%0.74453%0.525SS*.THydrogen-bonded Turntrans-97.4-10.8177.400000114.8F12F12-A14 HydrophobicContact CD1-CB 3.89Å; F12-A14 HydrophobicContact CE1-CB 3.65Å; F12-A14 PolarHBondContact O-N 2.94Å
15C68Low68.6Low25 Ų2598 Ų9817%0.16950%0.499CS..  trans-113.3102.4171.8-179.90000107.5C10 F12 C33C10-C15 HydrophobicContact CB-CB 4.15Å; C10-C15 VanDerWaalsContact CB-O 3.26Å; C10-C15 WeakPolarHBondContact CB-O 3.45Å; F12-C15 HydrophobicContact CB-CB 4.32Å; F12-C15 HydrophobicContact CD1-CB 4.31Å; F12-C15 CarbonylContact O-C 3.6Å; F12-C15 PolarHBondContact O-N 3.43Å; C15-C33 WeakPolarHBondContact CB-SG 3.18Å; C15-C33 WeakPolarHBondContact SG-CB 3.5Å; C15-C33 CovalentContact SG-SG 2.1Å; C15-C33 PolarHBondContact SG-SG 3.44Å
16Q65.9Low69Low143 Ų14398.6 Ų98.667%0.66850%0.502SS*.  trans-100.618.3171.8-70.8-168.2-17.100112.7
17Q71.3Confident69.3Low138 Ų13894.8 Ų94.865%0.64549%0.485SS*.  trans-66142.1178-77.8-152.9-37.300111.7C10C10-Q17 PolarHBondContact N-O 3.35Å; C10-Q17 VanDerWaalsContact N-O 3.13Å
18L69.1Low69.8Low94 Ų9495.6 Ų95.649%0.49249%0.486SS..EExtended strand (participates in β ladder)trans-82.1114.6168.4-75165000107.6R9R9-L18 HydrophobicContact CB-CD2 4.5Å; R9-L18 HydrophobicContact CG-CD2 3.48Å; R9-L18 VanDerWaalsContact CG-CD2 3.48Å; R9-L18 HydrophobicContact CG-CG 4.09Å
19D68.3Low69.9Low48 Ų4895.2 Ų95.226%0.25749%0.488SS..EExtended strand (participates in β ladder)trans-110.7137.2175.9-163.5-83.8000109.9G7 C8 L21 C33G7-D19 CarbonylContact C-O 3.59Å; G7-D19 WeakPolarHBondContact CA-O 3.38Å; C8-D19 PolarHBondContact N-O 3.35Å; C8-D19 PolarHBondContact O-N 3.21Å; C8-D19 VanDerWaalsContact O-N 3.1Å; D19-L21 VanDerWaalsContact OD1-CA 3.28Å; D19-L21 WeakPolarHBondContact OD1-CA 3.26Å; D19-L21 PolarHBondContact OD1-N 3.21Å; D19-C33 HydrophobicContact CB-CB 4.46Å
20F67.8Low69.9Low150 Ų15088.9 Ų88.966%0.65847%0.47SS*.SBendtrans-83.7-17.1-179.3-60.3-86.5000112.5L6 P22L6-F20 HydrophobicContact CB-CD1 4.24Å; L6-F20 HydrophobicContact CB-CE1 3.91Å; L6-F20 WeakPolarHBondContact O-CD1 3.43Å; L6-F20 WeakPolarHBondContact O-CE1 3.4Å; F20-P22 WeakPolarHBondContact O-CD 2.99Å
21L69Low70Confident147 Ų14792.4 Ų92.477%0.7748%0.484SS*.SBendtrans-122.961.6174.5-71.995.3000111.4D19 I23D19-L21 VanDerWaalsContact OD1-CA 3.28Å; D19-L21 WeakPolarHBondContact OD1-CA 3.26Å; D19-L21 PolarHBondContact OD1-N 3.21Å; L21-I23 PolarHBondContact O-N 3.42Å
22P68Low70.1Confident37 Ų3790.1 Ų90.124%0.2447%0.465CS..PPolyproline II helixtrans-64.6125.5-176.727.1-35.7000112C8 F20 R24 K31C8-P22 HydrophobicContact CB-CB 3.94Å; C8-P22 HydrophobicContact CB-CG 3.77Å; F20-P22 WeakPolarHBondContact O-CD 2.99Å; P22-R24 PolarHBondContact O-N 3.24Å; P22-K31 HydrophobicContact CB-CB 3.99Å; P22-K31 HydrophobicContact CB-CD 4.08Å; P22-K31 HydrophobicContact CB-CG 4.29Å; P22-K31 HydrophobicContact CG-CD 4.14Å
23I71.7Confident70.2Confident87 Ų8785.7 Ų85.745%0.44645%0.448SS..EExtended strand (participates in β ladder)trans-75.5119.3173.8-58.9172.1000108.3L21 K31 F32L21-I23 PolarHBondContact O-N 3.42Å; I23-K31 CarbonylContact O-C 3.42Å; I23-K31 WeakPolarHBondContact O-CA 3.33Å; I23-F32 PolarHBondContact N-O 3.43Å; I23-F32 PolarHBondContact O-N 2.86Å
24R74.5Confident70Confident173 Ų17379.5 Ų79.565%0.65343%0.43SS*.EExtended strand (participates in β ladder)trans-87.6126.2175.5-170-179.6-177.2-176.4-4.7109.3P22 D26 G29P22-R24 PolarHBondContact O-N 3.24Å; R24-D26 PolarHBondContact O-N 3.01Å; R24-G29 WeakPolarHBondContact CG-O 3.48Å
25C72.8Confident69.6Low27 Ų2780.1 Ų80.118%0.18243%0.429CS..PPolyproline II helixtrans-73125.8172.5-179.90000110.3A27 C28 G29 S30 F32 C39C25-A27 PolarHBondContact O-N 3.46Å; C25-A27 PolarHBondContact SG-N 2.93Å; C25-C28 PolarHBondContact SG-SG 3.49Å; C25-G29 WeakPolarHBondContact O-CA 3.29Å; C25-G29 PolarHBondContact O-N 3.25Å; C25-S30 PolarHBondContact N-O 3.11Å; C25-F32 HydrophobicContact CB-CD2 4.25Å; C25-F32 HydrophobicContact CB-CE2 3.81Å; C25-C39 HydrophobicContact CB-CB 4.42Å; C25-C39 WeakPolarHBondContact SG-CB 3.43Å
26D66.4Low69.1Low162 Ų16286.4 Ų86.487%0.86646%0.46SS*.THydrogen-bonded Turntrans-64.9-27.1177.8-61.3-67.3000113.4R24R24-D26 PolarHBondContact O-N 3.01Å
27A64.1Low68.7Low23 Ų2381.1 Ų81.119%0.1944%0.441CS..THydrogen-bonded Turntrans-82.7-42.2-177.100000113.5C25 F41 L44C25-A27 PolarHBondContact O-N 3.46Å; C25-A27 PolarHBondContact SG-N 2.93Å; A27-F41 VanDerWaalsContact CB-O 3.28Å; A27-F41 WeakPolarHBondContact CB-O 3.09Å; A27-L44 HydrophobicContact CB-CB 3.86Å
28C72.7Confident68Low48 Ų4883.3 Ų83.332%0.32445%0.451SS..THydrogen-bonded Turntrans-113.4-7.9-175.146.80000114.3C25 S30 C39C25-C28 PolarHBondContact SG-SG 3.49Å; C28-S30 PolarHBondContact O-N 3.06Å; C28-S30 VanDerWaalsContact O-N 3.08Å; C28-C39 WeakPolarHBondContact CB-SG 3.33Å; C28-C39 WeakPolarHBondContact SG-CB 2.99Å; C28-C39 CovalentContact SG-SG 2.08Å; C28-C39 PolarHBondContact SG-SG 3.39Å
29G72Confident67.4Low30 Ų3079.8 Ų79.831%0.30943%0.434SS..  trans72.2-7.3-179.700000115.2R24 C25R24-G29 WeakPolarHBondContact CG-O 3.48Å; C25-G29 WeakPolarHBondContact O-CA 3.29Å; C25-G29 PolarHBondContact O-N 3.25Å
30S73.9Confident66.8Low38 Ų3886.8 Ų86.827%0.26646%0.462SS..  trans-67.7148.8177.5-62.40000112.5C25 C28C25-S30 PolarHBondContact N-O 3.11Å; C28-S30 PolarHBondContact O-N 3.06Å; C28-S30 VanDerWaalsContact O-N 3.08Å
31K77.2Confident65.9Low88 Ų8886.3 Ų86.338%0.38346%0.46SS..EExtended strand (participates in β ladder)trans-99.8136.9-179-67.6-176.4-175.8-174.40111C8 S11 P22 I23C8-K31 HydrophobicContact CB-CD 3.59Å; C8-K31 PolarHBondContact SG-NZ 3.5Å; S11-K31 WeakPolarHBondContact CB-O 3.35Å; S11-K31 PolarHBondContact N-O 3.41Å; P22-K31 HydrophobicContact CB-CB 3.99Å; P22-K31 HydrophobicContact CB-CD 4.08Å; P22-K31 HydrophobicContact CB-CG 4.29Å; P22-K31 HydrophobicContact CG-CD 4.14Å; I23-K31 CarbonylContact O-C 3.42Å; I23-K31 WeakPolarHBondContact O-CA 3.33Å
32F74.7Confident65.1Low21 Ų2183.6 Ų83.69%0.09245%0.452CS..EExtended strand (participates in β ladder)trans-131.9143.9-176.6-60.2-78000112.5F12 I23 C25 A37F12-F32 HydrophobicContact CB-CD1 4.35Å; F12-F32 HydrophobicContact CB-CE1 4.46Å; I23-F32 PolarHBondContact N-O 3.43Å; I23-F32 PolarHBondContact O-N 2.86Å; C25-F32 HydrophobicContact CB-CD2 4.25Å; C25-F32 HydrophobicContact CB-CE2 3.81Å; F32-A37 HydrophobicContact CB-CB 3.58Å; F32-A37 HydrophobicContact CD1-CB 3.39Å; F32-A37 HydrophobicContact CD2-CB 4.06Å; F32-A37 HydrophobicContact CE1-CB 4.04Å; F32-A37 HydrophobicContact CG-CB 3.39Å
33C71.6Confident64.4Low26 Ų2690.8 Ų90.818%0.17648%0.479CS..SBendtrans-73.2-24.9177.857.50000112.5C10 C15 D19C10-C33 HydrophobicContact CB-CB 3.72Å; C10-C33 PolarHBondContact SG-N 3.32Å; C10-C33 VanDerWaalsContact SG-N 3.39Å; C10-C33 PolarHBondContact SG-SG 3.46Å; C15-C33 WeakPolarHBondContact CB-SG 3.18Å; C15-C33 WeakPolarHBondContact SG-CB 3.5Å; C15-C33 CovalentContact SG-SG 2.1Å; C15-C33 PolarHBondContact SG-SG 3.44Å; D19-C33 HydrophobicContact CB-CB 4.46Å
34C64Low63.6Low75 Ų7592.4 Ų92.451%0.50749%0.489SS..SBendtrans-135.1142.5-175.7-63.20000111.5L36 A37C34-L36 PolarHBondContact O-N 2.96Å; C34-L36 VanDerWaalsContact O-N 3.09Å; C34-A37 WeakPolarHBondContact O-CB 3.15Å; C34-A37 PolarHBondContact O-N 2.94Å
35S59.7Low62.6Low103 Ų10392.8 Ų92.872%0.7250%0.495SS*.THydrogen-bonded Turntrans-61.5-14.3178.153.10000114.6A37S35-A37 VanDerWaalsContact C-N 3.32Å
36L56.7Low61.7Low157 Ų15797.5 Ų97.582%0.82252%0.522SS*.THydrogen-bonded Turntrans-86.81.4179.2-57176000113.4C34 Q38C34-L36 PolarHBondContact O-N 2.96Å; C34-L36 VanDerWaalsContact O-N 3.09Å; L36-Q38 VanDerWaalsContact C-N 3.34Å; L36-Q38 PolarHBondContact O-N 2.92Å
37A57.8Low61.6Low31 Ų3194.4 Ų94.426%0.25650%0.499SS..  trans-70.892.5176.400000110.2F32 C34 S35 C39F32-A37 HydrophobicContact CB-CB 3.58Å; F32-A37 HydrophobicContact CD1-CB 3.39Å; F32-A37 HydrophobicContact CD2-CB 4.06Å; F32-A37 HydrophobicContact CE1-CB 4.04Å; F32-A37 HydrophobicContact CG-CB 3.39Å; C34-A37 WeakPolarHBondContact O-CB 3.15Å; C34-A37 PolarHBondContact O-N 2.94Å; S35-A37 VanDerWaalsContact C-N 3.32Å; A37-C39 PolarHBondContact O-N 3.06Å
38Q55.9Low61.6Low185 Ų185101 Ų10186%0.86453%0.528SS*.  trans-69.5101.6176.9-161.4142.818.800108.9L36 F40L36-Q38 VanDerWaalsContact C-N 3.34Å; L36-Q38 PolarHBondContact O-N 2.92Å; Q38-F40 PolarHBondContact O-N 3.37Å
39C57.2Low61.8Low20 Ų20101.7 Ų101.714%0.13553%0.528CS..  trans-58126172.5-177.50000108.3C25 C28 A37 F41C25-C39 HydrophobicContact CB-CB 4.42Å; C25-C39 WeakPolarHBondContact SG-CB 3.43Å; C28-C39 WeakPolarHBondContact CB-SG 3.33Å; C28-C39 WeakPolarHBondContact SG-CB 2.99Å; C28-C39 CovalentContact SG-SG 2.08Å; C28-C39 PolarHBondContact SG-SG 3.39Å; A37-C39 PolarHBondContact O-N 3.06Å; C39-F41 PolarHBondContact O-N 2.92Å; C39-F41 VanDerWaalsContact O-N 3.08Å
40F54.8Low62.5Low194 Ų194101.6 Ų101.685%0.85152%0.522SS*.SBendtrans-66.8-8-179.2-148.9-95.5000112.9Q38 P42Q38-F40 PolarHBondContact O-N 3.37Å; F40-P42 WeakPolarHBondContact O-CD 3.34Å
41F49.7Very low63.3Low140 Ų140103.7 Ų103.761%0.61453%0.533SS*.  trans-107.773.4170.7-70.9-84.7000110.5A27 C39 F43A27-F41 VanDerWaalsContact CB-O 3.28Å; A27-F41 WeakPolarHBondContact CB-O 3.09Å; C39-F41 PolarHBondContact O-N 2.92Å; C39-F41 VanDerWaalsContact O-N 3.08Å; F41-F43 PolarHBondContact O-N 3.22Å
42P52.4Low64Low90 Ų9099.5 Ų99.558%0.58452%0.515SS*.THydrogen-bonded Turntrans-68.91.7173.630.1-35.3000113.1F40F40-P42 WeakPolarHBondContact O-CD 3.34Å
43F52.3Low64.7Low188 Ų188102.7 Ų102.783%0.82554%0.538SS*.THydrogen-bonded Turntrans-101-3.5-164.1-114-86.9000115.9F41 K45F41-F43 PolarHBondContact O-N 3.22Å; F43-K45 PolarHBondContact O-N 3.23Å
44L54.5Low65.6Low122 Ų122105.4 Ų105.464%0.63955%0.55SS*.  trans-79.156.8160.5-105.590.8000109.5A27 V46A27-L44 HydrophobicContact CB-CB 3.86Å; L44-V46 PolarHBondContact O-N 3.14Å
45K54.8Low66.8Low181 Ų181101.9 Ų101.979%0.78753%0.526SS*.  trans-67.3120.2165.5-85.9-177.1176.51760107.3F43 Y47F43-K45 PolarHBondContact O-N 3.23Å; K45-Y47 PolarHBondContact O-N 2.67Å; K45-Y47 VanDerWaalsContact O-N 3.08Å
46V53.4Low68.2Low125 Ų125101.6 Ų101.676%0.75852%0.517SS*.  trans-44.6115.4169.8-1290000108.3L44 M48L44-V46 PolarHBondContact O-N 3.14Å; V46-M48 PolarHBondContact O-N 2.93Å
47Y64.8Low69.6Low98 Ų9899.5 Ų99.538%0.38450%0.501SS..  trans-74.197.5179.8-174.2-111.9000108.4K45 L49 C61 P62 R63K45-Y47 PolarHBondContact O-N 2.67Å; K45-Y47 VanDerWaalsContact O-N 3.08Å; Y47-L49 HydrophobicContact CD1-CD2 3.87Å; Y47-L49 HydrophobicContact CD1-CG 4.07Å; Y47-L49 HydrophobicContact CE1-CD2 3.37Å; Y47-L49 HydrophobicContact CE1-CG 4.08Å; Y47-L49 PolarHBondContact O-N 3.09Å; Y47-C61 WeakPolarHBondContact CE1-O 3.49Å; Y47-C61 VanDerWaalsContact OH-C 3.25Å; Y47-C61 PolarHBondContact OH-O 2.81Å; Y47-C61 PolarHBondContact OH-SG 3.46Å; Y47-P62 PolarHBondContact OH-O 3.14Å; Y47-R63 HydrophobicContact CE2-CG 4.41Å
48M63.6Low71Confident160 Ų160102.1 Ų102.179%0.78852%0.515SS*.  trans-78.6106.3175.8-60.7-65.5-87.100107.7V46V46-M48 PolarHBondContact O-N 2.93Å
49L77.8Confident72.6Confident64 Ų6493.8 Ų93.834%0.33548%0.477SS..PPolyproline II helixtrans-62.8132.5175.6-75.7166.7000109.8Y47 P58 V59Y47-L49 HydrophobicContact CD1-CD2 3.87Å; Y47-L49 HydrophobicContact CD1-CG 4.07Å; Y47-L49 HydrophobicContact CE1-CD2 3.37Å; Y47-L49 HydrophobicContact CE1-CG 4.08Å; Y47-L49 PolarHBondContact O-N 3.09Å; L49-P58 HydrophobicContact CB-CB 3.98Å; L49-P58 HydrophobicContact CD1-CB 4.38Å; L49-V59 VanDerWaalsContact CD2-O 3.32Å; L49-V59 WeakPolarHBondContact CD2-O 3.35Å
50P86.5Confident73.9Confident27 Ų2797.8 Ų97.818%0.17551%0.505CS..PPolyproline II helixtrans-62.2140.7176.727.9-34.2000109.9V59 C61 P67 V71P50-V59 HydrophobicContact CG-CB 4.47Å; P50-V59 PolarHBondContact O-N 3.1Å; P50-C61 WeakPolarHBondContact CD-SG 3.18Å; P50-C61 VanDerWaalsContact CG-SG 3.55Å; P50-P67 HydrophobicContact CB-CB 3.85Å; P50-P67 HydrophobicContact CG-CB 3.79Å; P50-V71 HydrophobicContact CB-CG2 3.95Å; P50-V71 HydrophobicContact CG-CG2 4.19Å
51V90.2Very high75.1Confident82 Ų8289.2 Ų89.250%0.49747%0.469SS..BIsolated β-bridgetrans-94.7134.3179.9179.60000109.3
52C92.1Very high76.3Confident0 Ų086.7 Ų86.70%047%0.467CS..PPolyproline II helixtrans-71.7131175.4177.40000110.8L54 C55 N56 K57 V59 H74 C79C52-L54 VanDerWaalsContact C-N 3.27Å; C52-L54 PolarHBondContact O-N 2.87Å; C52-L54 PolarHBondContact SG-N 2.95Å; C52-C55 VanDerWaalsContact CB-SG 3.54Å; C52-N56 VanDerWaalsContact O-CA 3.23Å; C52-N56 WeakPolarHBondContact O-CA 3.22Å; C52-N56 PolarHBondContact O-N 3.44Å; C52-K57 PolarHBondContact N-O 3.09Å; C52-V59 HydrophobicContact CB-CG2 3.66Å; C52-H74 VanDerWaalsContact SG-CD2 3.52Å; C52-C79 VanDerWaalsContact SG-SG 3.66Å
53P89.6Confident77.3Confident89 Ų8992.2 Ų92.258%0.57848%0.476SS*.THydrogen-bonded Turntrans-72.4-15.7-178.829.6-36.3000114.2
54L89.1Confident78.4Confident82 Ų8291 Ų9143%0.42948%0.478SS..THydrogen-bonded Turntrans-91.7-38.9-178.1-57.8-177.9000112.5C52 I75 P81 D82C52-L54 VanDerWaalsContact C-N 3.27Å; C52-L54 PolarHBondContact O-N 2.87Å; C52-L54 PolarHBondContact SG-N 2.95Å; L54-I75 HydrophobicContact CD1-CD1 4.31Å; L54-I75 HydrophobicContact CD1-CG1 4.04Å; L54-I75 HydrophobicContact CD1-CG2 4.08Å; L54-P81 WeakPolarHBondContact O-CA 3.47Å; L54-D82 PolarHBondContact O-N 3.49Å
55C90.5Very high79.6Confident1 Ų189.6 Ų89.61%0.00747%0.467CS..THydrogen-bonded Turntrans-114.9-5.1-174.875.30000114.5C52 K57 H74 C79 Q80C52-C55 VanDerWaalsContact CB-SG 3.54Å; C55-K57 HydrophobicContact CB-CD 4.49Å; C55-K57 PolarHBondContact O-N 3.48Å; C55-H74 PolarHBondContact SG-NE2 3Å; C55-C79 VanDerWaalsContact CB-SG 3.6Å; C55-Q80 WeakPolarHBondContact CB-O 3.13Å
56N87.7Confident81.2Confident97 Ų9784.5 Ų84.552%0.51945%0.452SS..  trans54.719.2-176.5-81.5-26.5000115.7C52C52-N56 VanDerWaalsContact O-CA 3.23Å; C52-N56 WeakPolarHBondContact O-CA 3.22Å; C52-N56 PolarHBondContact O-N 3.44Å
57K86.8Confident82.7Confident114 Ų11481.6 Ų81.650%0.49644%0.436SS..  trans-92.7144.2175.6-62.9168.9-167.1176.50110.4C52 C55 V59C52-K57 PolarHBondContact N-O 3.09Å; C55-K57 HydrophobicContact CB-CD 4.49Å; C55-K57 PolarHBondContact O-N 3.48Å; K57-V59 PolarHBondContact O-N 3.11Å
58P88.4Confident83.9Confident86 Ų8683 Ų8356%0.55845%0.45SS*.BIsolated β-bridgetrans-64.1128.6171.925.3-31.4000109.9L49L49-P58 HydrophobicContact CB-CB 3.98Å; L49-P58 HydrophobicContact CD1-CB 4.38Å
59V89Confident85.2Confident9 Ų977 Ų776%0.05543%0.426CS..  trans-95115.5-178.7-179.50000108.8L49 P50 C52 K57 C61 A70 V71 H74L49-V59 VanDerWaalsContact CD2-O 3.32Å; L49-V59 WeakPolarHBondContact CD2-O 3.35Å; P50-V59 HydrophobicContact CG-CB 4.47Å; P50-V59 PolarHBondContact O-N 3.1Å; C52-V59 HydrophobicContact CB-CG2 3.66Å; K57-V59 PolarHBondContact O-N 3.11Å; V59-C61 PolarHBondContact O-N 3.39Å; V59-A70 HydrophobicContact CG1-CB 4.08Å; V59-A70 WeakPolarHBondContact CG1-O 3.32Å; V59-V71 HydrophobicContact CB-CG2 4.29Å; V59-V71 HydrophobicContact CG2-CG2 4.1Å; V59-H74 HydrophobicContact CG1-CB 3.78Å; V59-H74 HydrophobicContact CG2-CB 4.19Å
60S84.8Confident85.8Confident104 Ų10474.4 Ų74.473%0.72741%0.414SS*.  trans-58.8116.3174.2-62.30000111.4
61C79.8Confident86.1Confident15 Ų1573.8 Ų73.810%0.10141%0.41CS..  trans-123.5147.9167.845.20000111.9Y47 P50 V59 A70Y47-C61 WeakPolarHBondContact CE1-O 3.49Å; Y47-C61 VanDerWaalsContact OH-C 3.25Å; Y47-C61 PolarHBondContact OH-O 2.81Å; Y47-C61 PolarHBondContact OH-SG 3.46Å; P50-C61 WeakPolarHBondContact CD-SG 3.18Å; P50-C61 VanDerWaalsContact CG-SG 3.55Å; V59-C61 PolarHBondContact O-N 3.39Å; C61-A70 HydrophobicContact CB-CB 3.53Å
62P74.5Confident86.2Confident86 Ų8672.8 Ų72.856%0.55841%0.406SS*.  trans-68.6156.9165.7-3.712.8000111.5Y47 D64 F65Y47-P62 PolarHBondContact OH-O 3.14Å; P62-D64 PolarHBondContact O-N 3.24Å; P62-D64 VanDerWaalsContact O-N 3.1Å; P62-F65 HydrophobicContact CB-CB 4.36Å; P62-F65 HydrophobicContact CG-CB 3.97Å; P62-F65 PolarHBondContact O-N 3.48Å; P62-F65 VanDerWaalsContact O-N 3.12Å
63R72.5Confident86.2Confident207 Ų20774.3 Ų74.378%0.78142%0.419SS*.THydrogen-bonded Turntrans-53.4-33.5-176.7-113.6-177.7-85.1-96.82.4114.2Y47Y47-R63 HydrophobicContact CE2-CG 4.41Å
64D76.1Confident86.4Confident161 Ų16172.6 Ų72.686%0.86140%0.403SS*.THydrogen-bonded Turntrans-104.69.2-172.8-44.6-64.5000113P62P62-D64 PolarHBondContact O-N 3.24Å; P62-D64 VanDerWaalsContact O-N 3.1Å
65F80.4Confident86.6Confident94 Ų9471.7 Ų71.741%0.41240%0.398SS..SBendtrans-102132.8-178.9-162.3-104.1000110.8P62 A69 A70P62-F65 HydrophobicContact CB-CB 4.36Å; P62-F65 HydrophobicContact CG-CB 3.97Å; P62-F65 PolarHBondContact O-N 3.48Å; P62-F65 VanDerWaalsContact O-N 3.12Å; F65-A69 HydrophobicContact CD1-CB 4.27Å; F65-A69 HydrophobicContact CE1-CB 3.48Å; F65-A69 VanDerWaalsContact CE1-CB 3.48Å; F65-A69 HydrophobicContact CZ-CB 3.66Å; F65-A70 HydrophobicContact CD1-CB 3.87Å; F65-A70 HydrophobicContact CE1-CB 4.02Å; F65-A70 VanDerWaalsContact CE1-N 3.33Å
66P86.6Confident86.7Confident74 Ų7478 Ų7848%0.48143%0.432SS..  trans-61.8131.4-17918.4-25000110.5D68 A69 A70P66-D68 VanDerWaalsContact C-N 3.27Å; P66-D68 PolarHBondContact O-N 3.12Å; P66-A69 HydrophobicContact CB-CB 4.4Å; P66-A69 HydrophobicContact CG-CB 3.78Å; P66-A69 PolarHBondContact O-N 3.18Å; P66-A69 VanDerWaalsContact O-N 3.12Å; P66-A70 PolarHBondContact O-N 3.41Å
67P86.2Confident86.7Confident63 Ų6384 Ų8441%0.40945%0.447SS..Hα-helixtrans-59.3-38.3-17422.5-32.9000112.1P50 A69 A70 V71P50-P67 HydrophobicContact CB-CB 3.85Å; P50-P67 HydrophobicContact CG-CB 3.79Å; P67-A69 VanDerWaalsContact C-N 3.34Å; P67-A69 PolarHBondContact O-N 3.46Å; P67-A70 WeakPolarHBondContact O-CB 2.9Å; P67-A70 PolarHBondContact O-N 2.87Å; P67-A70 VanDerWaalsContact O-N 3.13Å; P67-V71 WeakPolarHBondContact O-CG2 3.3Å; P67-V71 PolarHBondContact O-N 2.91Å
68D88.9Confident86.8Confident127 Ų12781.1 Ų81.168%0.67945%0.449SS*.Hα-helixtrans-64.7-36.8179.1-62.4-45.3000112.8P66 A70 V71 S72P66-D68 VanDerWaalsContact C-N 3.27Å; P66-D68 PolarHBondContact O-N 3.12Å; D68-A70 VanDerWaalsContact C-N 3.31Å; D68-V71 PolarHBondContact O-N 2.89Å; D68-S72 WeakPolarHBondContact O-CB 3.22Å; D68-S72 PolarHBondContact O-N 3.11Å; D68-S72 PolarHBondContact O-OG 3.35Å
69A91.3Very high86.9Confident36 Ų3678 Ų7830%0.29843%0.429SS..Hα-helixtrans-69.5-33.1175.600000111.1F65 P66 P67 S72 A73F65-A69 HydrophobicContact CD1-CB 4.27Å; F65-A69 HydrophobicContact CE1-CB 3.48Å; F65-A69 VanDerWaalsContact CE1-CB 3.48Å; F65-A69 HydrophobicContact CZ-CB 3.66Å; P66-A69 HydrophobicContact CB-CB 4.4Å; P66-A69 HydrophobicContact CG-CB 3.78Å; P66-A69 PolarHBondContact O-N 3.18Å; P66-A69 VanDerWaalsContact O-N 3.12Å; P67-A69 VanDerWaalsContact C-N 3.34Å; P67-A69 PolarHBondContact O-N 3.46Å; A69-S72 PolarHBondContact O-N 2.96Å; A69-A73 WeakPolarHBondContact O-CB 3.22Å; A69-A73 PolarHBondContact O-N 3.49Å
70A90.7Very high86.7Confident8 Ų884.7 Ų84.77%0.06646%0.46CS..Hα-helixtrans-69.4-43.9177.100000111V59 C61 F65 P66 P67 D68 S72 A73 H74V59-A70 HydrophobicContact CG1-CB 4.08Å; V59-A70 WeakPolarHBondContact CG1-O 3.32Å; C61-A70 HydrophobicContact CB-CB 3.53Å; F65-A70 HydrophobicContact CD1-CB 3.87Å; F65-A70 HydrophobicContact CE1-CB 4.02Å; F65-A70 VanDerWaalsContact CE1-N 3.33Å; P66-A70 PolarHBondContact O-N 3.41Å; P67-A70 WeakPolarHBondContact O-CB 2.9Å; P67-A70 PolarHBondContact O-N 2.87Å; P67-A70 VanDerWaalsContact O-N 3.13Å; D68-A70 VanDerWaalsContact C-N 3.31Å; A70-S72 VanDerWaalsContact C-N 3.31Å; A70-A73 PolarHBondContact O-N 3.41Å; A70-H74 WeakPolarHBondContact O-CB 3.38Å; A70-H74 PolarHBondContact O-N 3.41Å
71V92.7Very high86.4Confident15 Ų1582.7 Ų82.79%0.09145%0.445CS..Hα-helixtrans-61.3-42.8174.1176.80000110P50 V59 P67 D68 H74 I75P50-V71 HydrophobicContact CB-CG2 3.95Å; P50-V71 HydrophobicContact CG-CG2 4.19Å; V59-V71 HydrophobicContact CB-CG2 4.29Å; V59-V71 HydrophobicContact CG2-CG2 4.1Å; P67-V71 WeakPolarHBondContact O-CG2 3.3Å; P67-V71 PolarHBondContact O-N 2.91Å; D68-V71 PolarHBondContact O-N 2.89Å; V71-H74 WeakPolarHBondContact O-CB 3.26Å; V71-H74 PolarHBondContact O-N 3.06Å; V71-I75 HydrophobicContact CG1-CD1 3.92Å; V71-I75 VanDerWaalsContact O-CG1 3.22Å; V71-I75 WeakPolarHBondContact O-CG1 3.27Å; V71-I75 PolarHBondContact O-N 3.08Å
72S93Very high86.2Confident61 Ų6183.3 Ų83.343%0.42745%0.447SS..Hα-helixtrans-60.9-50.1175.3-63.90000112D68 A69 A70 H74 I75 D76D68-S72 WeakPolarHBondContact O-CB 3.22Å; D68-S72 PolarHBondContact O-N 3.11Å; D68-S72 PolarHBondContact O-OG 3.35Å; A69-S72 PolarHBondContact O-N 2.96Å; A70-S72 VanDerWaalsContact C-N 3.31Å; S72-H74 VanDerWaalsContact C-N 3.25Å; S72-H74 PolarHBondContact O-N 2.94Å; S72-I75 CarbonylContact O-C 3.4Å; S72-I75 WeakPolarHBondContact O-CA 3.47Å; S72-I75 WeakPolarHBondContact O-CB 3.48Å; S72-I75 PolarHBondContact O-N 2.73Å; S72-D76 VanDerWaalsContact O-CG 3.27Å; S72-D76 PolarHBondContact O-N 3.11Å
73A92.3Very high85.9Confident31 Ų3183.4 Ų83.426%0.25645%0.448SS..Hα-helixtrans-61.6-34177.800000112.7A69 A70 R77A69-A73 WeakPolarHBondContact O-CB 3.22Å; A69-A73 PolarHBondContact O-N 3.49Å; A70-A73 PolarHBondContact O-N 3.41Å; A73-R77 WeakPolarHBondContact O-CB 3.24Å; A73-R77 WeakPolarHBondContact O-CD 3.23Å; A73-R77 WeakPolarHBondContact O-CG 2.8Å; A73-R77 PolarHBondContact O-N 3.08Å; A73-R77 VanDerWaalsContact O-N 3.11Å
74H92.9Very high85.7Confident54 Ų5478.1 Ų78.125%0.2544%0.438CS..Hα-helixtrans-64.8-41.9171.6166.679.2000111.9C52 C55 V59 A70 V71 S72 C79C52-H74 VanDerWaalsContact SG-CD2 3.52Å; C55-H74 PolarHBondContact SG-NE2 3Å; V59-H74 HydrophobicContact CG1-CB 3.78Å; V59-H74 HydrophobicContact CG2-CB 4.19Å; A70-H74 WeakPolarHBondContact O-CB 3.38Å; A70-H74 PolarHBondContact O-N 3.41Å; V71-H74 WeakPolarHBondContact O-CB 3.26Å; V71-H74 PolarHBondContact O-N 3.06Å; S72-H74 VanDerWaalsContact C-N 3.25Å; S72-H74 PolarHBondContact O-N 2.94Å; H74-C79 PolarHBondContact NE2-SG 2.79Å; H74-C79 PolarHBondContact O-N 3.45Å
75I92.3Very high85.2Confident62 Ų6275.1 Ų75.132%0.31842%0.422SS..Hα-helixtrans-62.3-48.8175.5-65.3163.3000110.1L54 V71 S72 R77 G78 C79L54-I75 HydrophobicContact CD1-CD1 4.31Å; L54-I75 HydrophobicContact CD1-CG1 4.04Å; L54-I75 HydrophobicContact CD1-CG2 4.08Å; V71-I75 HydrophobicContact CG1-CD1 3.92Å; V71-I75 VanDerWaalsContact O-CG1 3.22Å; V71-I75 WeakPolarHBondContact O-CG1 3.27Å; V71-I75 PolarHBondContact O-N 3.08Å; S72-I75 CarbonylContact O-C 3.4Å; S72-I75 WeakPolarHBondContact O-CA 3.47Å; S72-I75 WeakPolarHBondContact O-CB 3.48Å; S72-I75 PolarHBondContact O-N 2.73Å; I75-R77 VanDerWaalsContact C-N 3.29Å; I75-R77 PolarHBondContact O-N 3.05Å; I75-G78 PolarHBondContact O-N 3.16Å; I75-G78 VanDerWaalsContact O-N 3.13Å; I75-C79 HydrophobicContact CG1-CB 4.41Å; I75-C79 PolarHBondContact O-N 3.32Å
76D92.7Very high84.2Confident135 Ų13574.9 Ų74.972%0.72243%0.428SS*.Hα-helixtrans-63.9-30.1-177.8-64.2-33.3000113.4S72 G78S72-D76 VanDerWaalsContact O-CG 3.27Å; S72-D76 PolarHBondContact O-N 3.11Å; D76-G78 PolarHBondContact O-N 3.34Å
77R89.5Confident83Confident222 Ų22275.2 Ų75.284%0.83843%0.432SS*.THydrogen-bonded Turntrans-78.82.9177.8-72172.3-171-147.13114.1A73 I75A73-R77 WeakPolarHBondContact O-CB 3.24Å; A73-R77 WeakPolarHBondContact O-CD 3.23Å; A73-R77 WeakPolarHBondContact O-CG 2.8Å; A73-R77 PolarHBondContact O-N 3.08Å; A73-R77 VanDerWaalsContact O-N 3.11Å; I75-R77 VanDerWaalsContact C-N 3.29Å; I75-R77 PolarHBondContact O-N 3.05Å
78G87.4Confident81.8Confident53 Ų5378.7 Ų78.755%0.54644%0.443SS..THydrogen-bonded Turntrans98.256.5179.300000113I75 D76 Q80I75-G78 PolarHBondContact O-N 3.16Å; I75-G78 VanDerWaalsContact O-N 3.13Å; D76-G78 PolarHBondContact O-N 3.34Å; G78-Q80 PolarHBondContact O-N 2.78Å
79C90.9Very high80.4Confident20 Ų2076.7 Ų76.714%0.13544%0.437CS..  trans-56.7123.7168.9178.30000110.8C52 C55 H74 I75 P81C52-C79 VanDerWaalsContact SG-SG 3.66Å; C55-C79 VanDerWaalsContact CB-SG 3.6Å; H74-C79 PolarHBondContact NE2-SG 2.79Å; H74-C79 PolarHBondContact O-N 3.45Å; I75-C79 HydrophobicContact CG1-CB 4.41Å; I75-C79 PolarHBondContact O-N 3.32Å; C79-P81 WeakPolarHBondContact O-CD 3.3Å
80Q84.7Confident79.1Confident150 Ų15082.2 Ų82.270%0.70147%0.467SS*.  trans-85114.5172.1-71.1-79.7-3900108.3C55 G78C55-Q80 WeakPolarHBondContact CB-O 3.13Å; G78-Q80 PolarHBondContact O-N 2.78Å
81P78.3Confident77.7Confident63 Ų6384.5 Ų84.541%0.40947%0.474SS..  trans-60.1149179.525.8-33.5000110.1L54 C79 T86L54-P81 WeakPolarHBondContact O-CA 3.47Å; C79-P81 WeakPolarHBondContact O-CD 3.3Å; P81-T86 HydrophobicContact CB-CG2 3.79Å; P81-T86 HydrophobicContact CG-CG2 3.78Å
82D75.3Confident76.5Confident27 Ų2787.7 Ų87.714%0.14450%0.497CS..  trans-59.4127-174.5-170.9-78.3000110.2L54 T84 L85 T86L54-D82 PolarHBondContact O-N 3.49Å; D82-T84 PolarHBondContact O-N 2.8Å; D82-T84 WeakPolarHBondContact OD1-CA 3.26Å; D82-T84 WeakPolarHBondContact OD1-CB 3.26Å; D82-T84 WeakPolarHBondContact OD1-CG2 3.41Å; D82-T84 PolarHBondContact OD1-N 3.46Å; D82-T84 PolarHBondContact OD1-OG1 2.9Å; D82-L85 HydrophobicContact CB-CB 4.32Å; D82-L85 HydrophobicContact CB-CD1 4.04Å; D82-L85 HydrophobicContact CB-CG 4.1Å; D82-L85 PolarHBondContact O-N 2.84Å; D82-T86 PolarHBondContact O-N 3.44Å; D82-T86 VanDerWaalsContact O-N 3.08Å; D82-T86 PolarHBondContact O-OG1 3.43Å; D82-T86 VanDerWaalsContact O-OG1 3.1Å
83P69.7Low75.5Confident89 Ų8989 Ų8958%0.57850%0.499SS*.Hα-helixtrans-63.2-23.7-177.523.6-32.3000112.6L85 T86 S87P83-L85 VanDerWaalsContact C-N 3.35Å; P83-T86 WeakPolarHBondContact CA-OG1 2.9Å; P83-S87 VanDerWaalsContact O-CB 3.29Å; P83-S87 WeakPolarHBondContact O-CB 2.96Å; P83-S87 PolarHBondContact O-N 3.49Å; P83-S87 PolarHBondContact O-OG 2.73Å
84T67.6Low75.1Confident95 Ų9595.9 Ų95.958%0.58352%0.523SS*.Hα-helixtrans-73.9-28.1175.176.10000112D82D82-T84 PolarHBondContact O-N 2.8Å; D82-T84 WeakPolarHBondContact OD1-CA 3.26Å; D82-T84 WeakPolarHBondContact OD1-CB 3.26Å; D82-T84 WeakPolarHBondContact OD1-CG2 3.41Å; D82-T84 PolarHBondContact OD1-N 3.46Å; D82-T84 PolarHBondContact OD1-OG1 2.9Å
85L65Low75Confident98 Ų9894 Ų9451%0.51352%0.516SS..Hα-helixtrans-85.1-31.1177.1-65.3178000112.8D82 P83D82-L85 HydrophobicContact CB-CB 4.32Å; D82-L85 HydrophobicContact CB-CD1 4.04Å; D82-L85 HydrophobicContact CB-CG 4.1Å; D82-L85 PolarHBondContact O-N 2.84Å; P83-L85 VanDerWaalsContact C-N 3.35Å
86T60.3Low74.8Confident90 Ų9093.7 Ų93.755%0.55252%0.52SS*.Hα-helixtrans-85.9-22.1-178.4460000114.3P81 D82 P83P81-T86 HydrophobicContact CB-CG2 3.79Å; P81-T86 HydrophobicContact CG-CG2 3.78Å; D82-T86 PolarHBondContact O-N 3.44Å; D82-T86 VanDerWaalsContact O-N 3.08Å; D82-T86 PolarHBondContact O-OG1 3.43Å; D82-T86 VanDerWaalsContact O-OG1 3.1Å; P83-T86 WeakPolarHBondContact CA-OG1 2.9Å
87S61.6Low74.6Confident81 Ų8189 Ų8957%0.56649%0.494SS*.SBendtrans-80.1-14.8179.553.30000114.2P83P83-S87 VanDerWaalsContact O-CB 3.29Å; P83-S87 WeakPolarHBondContact O-CB 2.96Å; P83-S87 PolarHBondContact O-N 3.49Å; P83-S87 PolarHBondContact O-OG 2.73Å
88Q60.6Low74.5Confident136 Ų13685 Ų8564%0.63650%0.495SS*.SBendtrans-83.8122.1174.9-66.1-65.1-38.400109.5V90Q88-V90 PolarHBondContact O-N 2.86Å
89P58.9Low74.5Confident84 Ų8486 Ų8655%0.54551%0.505SS..  trans-62.9110.7175.725.9-32.1000108.6Y91P89-Y91 PolarHBondContact O-N 3.04Å
90V63.6Low74.3Confident152 Ų15286.1 Ų86.192%0.92151%0.506SS*.SBendtrans-50.4-23.4173-1770000111Q88Q88-V90 PolarHBondContact O-N 2.86Å
91Y61.7Low74.2Confident57 Ų5788.2 Ų88.222%0.22451%0.513CS..  trans-13195177.9-170.9-104.3000113.1P89 N93 R102 K103 E104 C106P89-Y91 PolarHBondContact O-N 3.04Å; Y91-N93 VanDerWaalsContact CE2-O 3.32Å; Y91-N93 WeakPolarHBondContact CE2-O 3.32Å; Y91-N93 PolarHBondContact OH-O 3.3Å; Y91-R102 PolarHBondContact OH-O 3.3Å; Y91-R102 VanDerWaalsContact OH-O 3.08Å; Y91-K103 HydrophobicContact CD1-CB 3.68Å; Y91-K103 HydrophobicContact CD1-CG 3.95Å; Y91-K103 HydrophobicContact CE1-CB 3.65Å; Y91-K103 HydrophobicContact CE1-CG 3.86Å; Y91-K103 HydrophobicContact CG-CB 4.42Å; Y91-E104 WeakPolarHBondContact CE2-O 3.4Å; Y91-E104 PolarHBondContact OH-N 3.26Å; Y91-E104 VanDerWaalsContact OH-N 3.08Å; Y91-E104 PolarHBondContact OH-O 3.42Å; Y91-C106 PolarHBondContact OH-SG 3.26Å
92S67.9Low74.3Confident81 Ų8190.8 Ų90.857%0.56651%0.514SS*.  trans-96.2-24.2174.2-170.20000113.4K94S92-K94 PolarHBondContact O-N 2.86Å
93N72.3Confident74.4Confident90 Ų9098.3 Ų98.348%0.48155%0.545SS..  trans-91.9104.9-163.1-53.1-47.1000111.7Y91 C106 T115Y91-N93 VanDerWaalsContact CE2-O 3.32Å; Y91-N93 WeakPolarHBondContact CE2-O 3.32Å; Y91-N93 PolarHBondContact OH-O 3.3Å; N93-C106 HydrophobicContact CB-CB 3.98Å; N93-C106 PolarHBondContact O-SG 3.29Å; N93-T115 HydrophobicContact CB-CG2 4.29Å
94K83.7Confident75Confident174 Ų17496.3 Ų96.376%0.75753%0.528SS*.  trans-79.6147.6179.5-55.5169-170.8-179.10110.9S92 S96S92-K94 PolarHBondContact O-N 2.86Å; K94-S96 PolarHBondContact O-N 2.94Å
95C90.3Very high75.7Confident14 Ų1497 Ų9710%0.09553%0.532CS..  trans-66.7132.4171.5-176.70000110.5L97 C100 C117C95-L97 VanDerWaalsContact C-N 3.28Å; C95-L97 PolarHBondContact O-N 2.85Å; C95-C100 HydrophobicContact CB-CB 3.93Å; C95-C117 HydrophobicContact CB-CB 4.13Å
96S89Confident76.7Confident57 Ų5793.1 Ų93.140%0.39951%0.513SS..  trans-83.1-0.7-178.5-550000113.6K94 T115K94-S96 PolarHBondContact O-N 2.94Å; S96-T115 VanDerWaalsContact CB-O 3.23Å; S96-T115 WeakPolarHBondContact CB-O 3.19Å; S96-T115 PolarHBondContact N-O 3.34Å; S96-T115 PolarHBondContact OG-N 2.89Å; S96-T115 PolarHBondContact OG-O 3.31Å
97L88.6Confident78Confident36 Ų3690.4 Ų90.419%0.18850%0.5CS..SBendtrans-79131.1175.2-172.667.7000110C95 G99 C100 F116 H120 H126C95-L97 VanDerWaalsContact C-N 3.28Å; C95-L97 PolarHBondContact O-N 2.85Å; L97-G99 PolarHBondContact O-N 2.92Å; L97-C100 HydrophobicContact CB-CB 4.2Å; L97-C100 PolarHBondContact O-N 3.13Å; L97-C100 VanDerWaalsContact O-N 3.14Å; L97-F116 HydrophobicContact CB-CD1 4.23Å; L97-F116 HydrophobicContact CB-CE1 4.36Å; L97-H120 HydrophobicContact CD2-CB 4.33Å; L97-H120 WeakPolarHBondContact CD2-CD2 3.39Å; L97-H120 WeakPolarHBondContact CD2-NE2 3.43Å; L97-H126 HydrophobicContact CD1-CB 4.15Å
98T87Confident79.4Confident139 Ų13991.2 Ų91.285%0.85350%0.501SS*.THydrogen-bonded Turntrans-61.3122.2178.649.30000110.7
99G86.7Confident80.9Confident74 Ų7485.1 Ų85.176%0.76347%0.473SS*.THydrogen-bonded Turntrans94.5-9.5-179.300000115.3L97 K101L97-G99 PolarHBondContact O-N 2.92Å; G99-K101 PolarHBondContact O-N 3.11Å
100C87Confident82.3Confident21 Ų2187 Ų8714%0.14249%0.488CS..  trans-86.4112.4176-171.70000111.4C95 L97 C117C95-C100 HydrophobicContact CB-CB 3.93Å; L97-C100 HydrophobicContact CB-CB 4.2Å; L97-C100 PolarHBondContact O-N 3.13Å; L97-C100 VanDerWaalsContact O-N 3.14Å; C100-C117 VanDerWaalsContact SG-SG 3.63Å
101K82.7Confident83.5Confident195 Ų19581.6 Ų81.685%0.84846%0.458SS*.  trans-107.312.8178.1-59.4-179.8-174.6-179.50113.4G99G99-K101 PolarHBondContact O-N 3.11Å
102R81.3Confident84.8Confident117 Ų11779.6 Ų79.644%0.44245%0.451SS..  trans-64.6139.8-177.9-78.6-168.4-175.297.6-6.1111.1Y91 E104Y91-R102 PolarHBondContact OH-O 3.3Å; Y91-R102 VanDerWaalsContact OH-O 3.08Å; R102-E104 HydrophobicContact CB-CG 4.1Å; R102-E104 VanDerWaalsContact CB-OE1 3.32Å; R102-E104 WeakPolarHBondContact CB-OE1 3.43Å; R102-E104 WeakPolarHBondContact CD-OE1 3.17Å
103K76.5Confident85.8Confident185 Ų18579.9 Ų79.980%0.80445%0.454SS*.  trans-10778176.2-64.1-176.2-176.9-177.90110.3Y91Y91-K103 HydrophobicContact CD1-CB 3.68Å; Y91-K103 HydrophobicContact CD1-CG 3.95Å; Y91-K103 HydrophobicContact CE1-CB 3.65Å; Y91-K103 HydrophobicContact CE1-CG 3.86Å; Y91-K103 HydrophobicContact CG-CB 4.42Å
104E82Confident86.7Confident46 Ų4680.6 Ų80.622%0.21545%0.453CS..SBendtrans-143.3149.3-177.160-178.9137.500109.6Y91 R102 C106 C117Y91-E104 WeakPolarHBondContact CE2-O 3.4Å; Y91-E104 PolarHBondContact OH-N 3.26Å; Y91-E104 VanDerWaalsContact OH-N 3.08Å; Y91-E104 PolarHBondContact OH-O 3.42Å; R102-E104 HydrophobicContact CB-CG 4.1Å; R102-E104 VanDerWaalsContact CB-OE1 3.32Å; R102-E104 WeakPolarHBondContact CB-OE1 3.43Å; R102-E104 WeakPolarHBondContact CD-OE1 3.17Å; E104-C106 PolarHBondContact O-N 3.33Å; E104-C106 VanDerWaalsContact O-N 3.11Å; E104-C106 PolarHBondContact O-SG 2.97Å; E104-C106 VanDerWaalsContact O-SG 3.34Å; E104-C117 HydrophobicContact CG-CB 3.55Å; E104-C117 VanDerWaalsContact OE1-CB 3.27Å; E104-C117 WeakPolarHBondContact OE1-CB 3.42Å; E104-C117 PolarHBondContact OE1-SG 2.95Å
105V82.4Confident87.1Confident111 Ų11174.1 Ų74.167%0.67343%0.428SS*.  trans-41.2120.4-178.6166.40000111.2
106C86.9Confident87.1Confident16 Ų1673.8 Ų73.811%0.10842%0.424CS..PPolyproline II helixtrans-98.1139-179.6-71.40000110.9Y91 N93 E104 T115 F116Y91-C106 PolarHBondContact OH-SG 3.26Å; N93-C106 HydrophobicContact CB-CB 3.98Å; N93-C106 PolarHBondContact O-SG 3.29Å; E104-C106 PolarHBondContact O-N 3.33Å; E104-C106 VanDerWaalsContact O-N 3.11Å; E104-C106 PolarHBondContact O-SG 2.97Å; E104-C106 VanDerWaalsContact O-SG 3.34Å; C106-T115 HydrophobicContact CB-CG2 3.38Å; C106-F116 CarbonylContact C-O 3.43Å; C106-F116 WeakPolarHBondContact CA-O 3.4Å; C106-F116 VanDerWaalsContact CB-O 3.3Å; C106-F116 WeakPolarHBondContact CB-O 3.01Å
107A87.9Confident87.3Confident32 Ų3271 Ų7126%0.26441%0.405SS..EExtended strand (participates in β ladder)trans-103.4147.5173.700000110.4T115 F116 R121A107-T115 WeakPolarHBondContact O-CA 3.48Å; A107-F116 PolarHBondContact N-O 2.87Å; A107-F116 PolarHBondContact O-N 2.78Å; A107-R121 HydrophobicContact CB-CG 4.26Å
108V90.4Very high87.3Confident98 Ų9874.2 Ų74.259%0.59442%0.422SS*.EExtended strand (participates in β ladder)trans-85.7130.1175.5-178.40000109.4S110 T115V108-S110 PolarHBondContact O-N 3.01Å; V108-T115 HydrophobicContact CG2-CG2 4.15Å
109C91.6Very high87.4Confident9 Ų972.6 Ų72.66%0.06141%0.405CS..PPolyproline II helixtrans-70.1126.1173.2178.50000110.2S111 C112 S113 K114 F116 H126 C128C109-S111 PolarHBondContact O-N 2.89Å; C109-S111 PolarHBondContact SG-N 3.1Å; C109-S111 VanDerWaalsContact SG-N 3.43Å; C109-C112 VanDerWaalsContact CB-SG 3.57Å; C109-C112 PolarHBondContact SG-N 3.08Å; C109-C112 VanDerWaalsContact SG-SG 3.68Å; C109-S113 WeakPolarHBondContact O-CA 3.29Å; C109-S113 PolarHBondContact O-N 3.19Å; C109-K114 PolarHBondContact N-O 3.22Å; C109-F116 HydrophobicContact CB-CD2 3.99Å; C109-F116 HydrophobicContact CB-CE2 3.81Å; C109-H126 PolarHBondContact SG-NE2 3Å; C109-C128 VanDerWaalsContact SG-SG 3.62Å
110S89Confident87.5Confident122 Ų12270.6 Ų70.685%0.85338%0.375SS*.THydrogen-bonded Turntrans-62.8-28.9177.151.40000113.3V108V108-S110 PolarHBondContact O-N 3.01Å
111S88.3Confident87.7Confident40 Ų4076.8 Ų76.828%0.2840%0.396SS..THydrogen-bonded Turntrans-82.5-61.8-179.9-40.90000110.8C109 K130C109-S111 PolarHBondContact O-N 2.89Å; C109-S111 PolarHBondContact SG-N 3.1Å; C109-S111 VanDerWaalsContact SG-N 3.43Å; S111-K130 WeakPolarHBondContact O-CD 3.36Å; S111-K130 WeakPolarHBondContact O-CE 3.43Å; S111-K130 PolarHBondContact O-NZ 3.19Å
112C89.7Confident88.1Confident14 Ų1472.7 Ų72.710%0.09538%0.379CS..THydrogen-bonded Turntrans-93.2-1.1-173.970.40000115.6C109 K114 F116 H126 C128C109-C112 VanDerWaalsContact CB-SG 3.57Å; C109-C112 PolarHBondContact SG-N 3.08Å; C109-C112 VanDerWaalsContact SG-SG 3.68Å; C112-K114 PolarHBondContact O-N 2.72Å; C112-F116 VanDerWaalsContact SG-CE2 3.59Å; C112-H126 PolarHBondContact SG-NE2 2.93Å; C112-C128 VanDerWaalsContact CB-SG 3.54Å; C112-C128 VanDerWaalsContact SG-SG 3.65Å
113S88.9Confident88.3Confident88 Ų8869.2 Ų69.262%0.61537%0.372SS*.  trans55.820178.343.80000115C109C109-S113 WeakPolarHBondContact O-CA 3.29Å; C109-S113 PolarHBondContact O-N 3.19Å
114K90.6Very high88.6Confident105 Ų10568.6 Ų68.646%0.45737%0.372SS..  trans-97.3152.8172.2-68.3-179.1-178.3-177.60110.5C109 C112 F116C109-K114 PolarHBondContact N-O 3.22Å; C112-K114 PolarHBondContact O-N 2.72Å; K114-F116 HydrophobicContact CB-CD2 4.48Å; K114-F116 HydrophobicContact CB-CE1 4.46Å; K114-F116 HydrophobicContact CB-CE2 3.52Å; K114-F116 HydrophobicContact CB-CZ 3.51Å; K114-F116 HydrophobicContact CD-CZ 4.27Å; K114-F116 VanDerWaalsContact O-CD2 3.26Å; K114-F116 WeakPolarHBondContact O-CD2 3.39Å; K114-F116 VanDerWaalsContact O-CE2 3.26Å; K114-F116 WeakPolarHBondContact O-CE2 3.35Å
115T91.3Very high88.9Confident38 Ų3870.5 Ų70.523%0.23338%0.384CS..EExtended strand (participates in β ladder)trans-93131.3-177.1-31.50000110.8N93 S96 C106 A107 V108N93-T115 HydrophobicContact CB-CG2 4.29Å; S96-T115 VanDerWaalsContact CB-O 3.23Å; S96-T115 WeakPolarHBondContact CB-O 3.19Å; S96-T115 PolarHBondContact N-O 3.34Å; S96-T115 PolarHBondContact OG-N 2.89Å; S96-T115 PolarHBondContact OG-O 3.31Å; C106-T115 HydrophobicContact CB-CG2 3.38Å; A107-T115 WeakPolarHBondContact O-CA 3.48Å; V108-T115 HydrophobicContact CG2-CG2 4.15Å
116F92.3Very high89.2Confident6 Ų665.7 Ų65.73%0.02635%0.354CS..EExtended strand (participates in β ladder)trans-134.1151.2-178.5-57.7-80.9000111.4L97 C106 A107 C109 C112 K114 H120 H126L97-F116 HydrophobicContact CB-CD1 4.23Å; L97-F116 HydrophobicContact CB-CE1 4.36Å; C106-F116 CarbonylContact C-O 3.43Å; C106-F116 WeakPolarHBondContact CA-O 3.4Å; C106-F116 VanDerWaalsContact CB-O 3.3Å; C106-F116 WeakPolarHBondContact CB-O 3.01Å; A107-F116 PolarHBondContact N-O 2.87Å; A107-F116 PolarHBondContact O-N 2.78Å; C109-F116 HydrophobicContact CB-CD2 3.99Å; C109-F116 HydrophobicContact CB-CE2 3.81Å; C112-F116 VanDerWaalsContact SG-CE2 3.59Å; K114-F116 HydrophobicContact CB-CD2 4.48Å; K114-F116 HydrophobicContact CB-CE1 4.46Å; K114-F116 HydrophobicContact CB-CE2 3.52Å; K114-F116 HydrophobicContact CB-CZ 3.51Å; K114-F116 HydrophobicContact CD-CZ 4.27Å; K114-F116 VanDerWaalsContact O-CD2 3.26Å; K114-F116 WeakPolarHBondContact O-CD2 3.39Å; K114-F116 VanDerWaalsContact O-CE2 3.26Å; K114-F116 WeakPolarHBondContact O-CE2 3.35Å; F116-H120 HydrophobicContact CB-CB 4.04Å; F116-H120 VanDerWaalsContact CB-O 3.22Å; F116-H120 WeakPolarHBondContact CB-O 3.49Å; F116-H120 HydrophobicContact CD1-CB 4.4Å; F116-H126 HydrophobicContact CD1-CB 3.63Å; F116-H126 AromaticContact CD1-CG 3.92Å; F116-H126 AromaticContact CD2-CE1 3.8Å; F116-H126 AromaticContact CD2-CG 3.91Å; F116-H126 AromaticContact CD2-ND1 3.73Å; F116-H126 HydrophobicContact CE1-CB 3.44Å; F116-H126 VanDerWaalsContact CE1-CB 3.44Å; F116-H126 AromaticContact CE1-CD2 3.84Å; F116-H126 AromaticContact CE1-CG 3.65Å; F116-H126 HydrophobicContact CE2-CB 4.35Å; F116-H126 AromaticContact CE2-CD2 3.38Å; F116-H126 WeakPolarHBondContact CE2-CD2 3.23Å; F116-H126 AromaticContact CE2-CE1 3.66Å; F116-H126 AromaticContact CE2-CG 3.63Å; F116-H126 AromaticContact CE2-ND1 3.8Å; F116-H126 AromaticContact CE2-NE2 3.41Å; F116-H126 WeakPolarHBondContact CE2-NE2 3.22Å; F116-H126 HydrophobicContact CG-CB 4.18Å; F116-H126 AromaticContact CG-ND1 3.99Å; F116-H126 HydrophobicContact CZ-CB 3.83Å; F116-H126 AromaticContact CZ-CD2 3.22Å; F116-H126 WeakPolarHBondContact CZ-CD2 3.39Å; F116-H126 AromaticContact CZ-CG 3.49Å; F116-H126 VanDerWaalsContact CZ-CG 3.49Å; F116-H126 AromaticContact CZ-NE2 3.78Å
117C91.4Very high89Confident0 Ų072.6 Ų72.60%039%0.385CS..  trans-68.1170175.169.10000111.4C95 C100 E104 Q119 H120 R121C95-C117 HydrophobicContact CB-CB 4.13Å; C100-C117 VanDerWaalsContact SG-SG 3.63Å; E104-C117 HydrophobicContact CG-CB 3.55Å; E104-C117 VanDerWaalsContact OE1-CB 3.27Å; E104-C117 WeakPolarHBondContact OE1-CB 3.42Å; E104-C117 PolarHBondContact OE1-SG 2.95Å; C117-Q119 PolarHBondContact O-N 3.2Å; C117-H120 CarbonylContact O-C 3.53Å; C117-H120 PolarHBondContact O-N 3.13Å; C117-H120 PolarHBondContact SG-ND1 2.98Å; C117-R121 PolarHBondContact O-N 3.5Å
118L89Confident89Confident103 Ų10371.2 Ų71.254%0.53937%0.373SS..G310 helixtrans-57.5-36-176.3-64.4174.3000112.8H120L118-H120 VanDerWaalsContact C-N 3.33Å; L118-H120 PolarHBondContact O-N 3.39Å
119Q88.8Confident88.5Confident105 Ų10572 Ų7249%0.49137%0.374SS..G310 helixtrans-68.7-26.1175.1-69.6-160.7-17.400114.4C117 D125C117-Q119 PolarHBondContact O-N 3.2Å; Q119-D125 WeakPolarHBondContact O-CB 3.15Å
120H90.4Very high87.4Confident31 Ų3178.5 Ų78.514%0.14440%0.401CS..G310 helixtrans-112.414.9-178.2-56.5118.6000112.9L97 F116 C117 L118 H122 D125 H126L97-H120 HydrophobicContact CD2-CB 4.33Å; L97-H120 WeakPolarHBondContact CD2-CD2 3.39Å; L97-H120 WeakPolarHBondContact CD2-NE2 3.43Å; F116-H120 HydrophobicContact CB-CB 4.04Å; F116-H120 VanDerWaalsContact CB-O 3.22Å; F116-H120 WeakPolarHBondContact CB-O 3.49Å; F116-H120 HydrophobicContact CD1-CB 4.4Å; C117-H120 CarbonylContact O-C 3.53Å; C117-H120 PolarHBondContact O-N 3.13Å; C117-H120 PolarHBondContact SG-ND1 2.98Å; L118-H120 VanDerWaalsContact C-N 3.33Å; L118-H120 PolarHBondContact O-N 3.39Å; H120-H122 VanDerWaalsContact C-N 3.3Å; H120-H122 PolarHBondContact O-N 3.43Å; H120-D125 HydrophobicContact CB-CB 4.38Å; H120-D125 PolarHBondContact CD2-O 3.26Å; H120-H126 HydrophobicContact CB-CB 4.41Å; H120-H126 PolarHBondContact O-ND1 2.87Å
121R90.7Very high86Confident151 Ų15175.6 Ų75.657%0.5738%0.379SS*.  trans-62.1-37.1-179.5165.5-179.9168.6-149.5-3.4112.1A107 C117A107-R121 HydrophobicContact CB-CG 4.26Å; C117-R121 PolarHBondContact O-N 3.5Å
122H90Very high84.5Confident109 Ų10981.1 Ų81.151%0.50540%0.4SS..SBendtrans-76.8145.7-176.1-101.6-83.5000111.6H120 Q124 D125 H126H120-H122 VanDerWaalsContact C-N 3.3Å; H120-H122 PolarHBondContact O-N 3.43Å; H122-Q124 PolarHBondContact O-N 3.3Å; H122-Q124 VanDerWaalsContact O-N 3.11Å; H122-D125 WeakPolarHBondContact CB-OD2 3.44Å; H122-D125 PolarHBondContact O-N 3.43Å; H122-D125 VanDerWaalsContact O-N 3.09Å; H122-H126 PolarHBondContact O-CE1 2.5Å; H122-H126 PolarHBondContact O-ND1 3.05Å
123P86.6Confident82.4Confident45 Ų4584.3 Ų84.329%0.29242%0.422SS..THydrogen-bonded Turntrans-60.8-21.7-177.721.1-31.4000114.5C128 T131P123-C128 HydrophobicContact CB-CB 3.65Å; P123-C128 WeakPolarHBondContact O-CB 3.36Å; P123-C128 PolarHBondContact O-N 3.46Å; P123-T131 HydrophobicContact CB-CG2 4.46Å; P123-T131 WeakPolarHBondContact CB-OG1 3.37Å
124Q83.6Confident80.2Confident172 Ų17290.8 Ų90.880%0.80443%0.433SS*.THydrogen-bonded Turntrans-74-39.1175.7-68.3177.5-32.600112.1H122 H126H122-Q124 PolarHBondContact O-N 3.3Å; H122-Q124 VanDerWaalsContact O-N 3.11Å; Q124-H126 VanDerWaalsContact C-N 3.34Å; Q124-H126 PolarHBondContact O-N 3.12Å
125D87.2Confident78.1Confident85 Ų8591.6 Ų91.646%0.45545%0.449SS..THydrogen-bonded Turntrans-76.9-19.5-174.2-60.9-64.5000113.7Q119 H120 H122Q119-D125 WeakPolarHBondContact O-CB 3.15Å; H120-D125 HydrophobicContact CB-CB 4.38Å; H120-D125 PolarHBondContact CD2-O 3.26Å; H122-D125 WeakPolarHBondContact CB-OD2 3.44Å; H122-D125 PolarHBondContact O-N 3.43Å; H122-D125 VanDerWaalsContact O-N 3.09Å
126H88Confident76.1Confident11 Ų1196.3 Ų96.35%0.05147%0.472CS..THydrogen-bonded Turntrans-118.415.6179.269.3-100.6000114.9L97 C109 C112 F116 H120 H122 Q124 C128L97-H126 HydrophobicContact CD1-CB 4.15Å; C109-H126 PolarHBondContact SG-NE2 3Å; C112-H126 PolarHBondContact SG-NE2 2.93Å; F116-H126 HydrophobicContact CD1-CB 3.63Å; F116-H126 AromaticContact CD1-CG 3.92Å; F116-H126 AromaticContact CD2-CE1 3.8Å; F116-H126 AromaticContact CD2-CG 3.91Å; F116-H126 AromaticContact CD2-ND1 3.73Å; F116-H126 HydrophobicContact CE1-CB 3.44Å; F116-H126 VanDerWaalsContact CE1-CB 3.44Å; F116-H126 AromaticContact CE1-CD2 3.84Å; F116-H126 AromaticContact CE1-CG 3.65Å; F116-H126 HydrophobicContact CE2-CB 4.35Å; F116-H126 AromaticContact CE2-CD2 3.38Å; F116-H126 WeakPolarHBondContact CE2-CD2 3.23Å; F116-H126 AromaticContact CE2-CE1 3.66Å; F116-H126 AromaticContact CE2-CG 3.63Å; F116-H126 AromaticContact CE2-ND1 3.8Å; F116-H126 AromaticContact CE2-NE2 3.41Å; F116-H126 WeakPolarHBondContact CE2-NE2 3.22Å; F116-H126 HydrophobicContact CG-CB 4.18Å; F116-H126 AromaticContact CG-ND1 3.99Å; F116-H126 HydrophobicContact CZ-CB 3.83Å; F116-H126 AromaticContact CZ-CD2 3.22Å; F116-H126 WeakPolarHBondContact CZ-CD2 3.39Å; F116-H126 AromaticContact CZ-CG 3.49Å; F116-H126 VanDerWaalsContact CZ-CG 3.49Å; F116-H126 AromaticContact CZ-NE2 3.78Å; H120-H126 HydrophobicContact CB-CB 4.41Å; H120-H126 PolarHBondContact O-ND1 2.87Å; H122-H126 PolarHBondContact O-CE1 2.5Å; H122-H126 PolarHBondContact O-ND1 3.05Å; Q124-H126 VanDerWaalsContact C-N 3.34Å; Q124-H126 PolarHBondContact O-N 3.12Å; H126-C128 VanDerWaalsContact C-N 3.35Å; H126-C128 VanDerWaalsContact NE2-CB 3.26Å; H126-C128 WeakPolarHBondContact NE2-CB 3.35Å; H126-C128 PolarHBondContact NE2-SG 3.39Å; H126-C128 VanDerWaalsContact NE2-SG 3.41Å; H126-C128 PolarHBondContact O-N 3.34Å
127Q84Confident74.2Confident160 Ų160101 Ų10175%0.74849%0.493SS*.THydrogen-bonded Turntrans47.857.5-179.3-65171.4-30.700111.4N129Q127-N129 PolarHBondContact O-N 2.89Å; Q127-N129 VanDerWaalsContact O-N 3.11Å
128C88.1Confident72.4Confident4 Ų4105.1 Ų105.13%0.02752%0.519CS..  trans-56.6119.4-170.3-169.70000112.3C109 C112 P123 H126 K130 T131C109-C128 VanDerWaalsContact SG-SG 3.62Å; C112-C128 VanDerWaalsContact CB-SG 3.54Å; C112-C128 VanDerWaalsContact SG-SG 3.65Å; P123-C128 HydrophobicContact CB-CB 3.65Å; P123-C128 WeakPolarHBondContact O-CB 3.36Å; P123-C128 PolarHBondContact O-N 3.46Å; H126-C128 VanDerWaalsContact C-N 3.35Å; H126-C128 VanDerWaalsContact NE2-CB 3.26Å; H126-C128 WeakPolarHBondContact NE2-CB 3.35Å; H126-C128 PolarHBondContact NE2-SG 3.39Å; H126-C128 VanDerWaalsContact NE2-SG 3.41Å; H126-C128 PolarHBondContact O-N 3.34Å; C128-K130 PolarHBondContact O-N 3.12Å; C128-T131 VanDerWaalsContact CB-OG1 3.24Å; C128-T131 WeakPolarHBondContact CB-OG1 3.32Å; C128-T131 PolarHBondContact O-N 2.82Å
129N78.6Confident71Confident115 Ų115109.8 Ų109.862%0.61553%0.529SS*.THydrogen-bonded Turntrans-55.2-26.2-176.8-91.8-0.8000114.3Q127Q127-N129 PolarHBondContact O-N 2.89Å; Q127-N129 VanDerWaalsContact O-N 3.11Å
130K69.4Low69.5Low144 Ų144111 Ų11163%0.62653%0.533SS*.THydrogen-bonded Turntrans-92.6-10.6179.6-59-155.6-160.31550114S111 C128S111-K130 WeakPolarHBondContact O-CD 3.36Å; S111-K130 WeakPolarHBondContact O-CE 3.43Å; S111-K130 PolarHBondContact O-NZ 3.19Å; C128-K130 PolarHBondContact O-N 3.12Å
131T59.4Low68.2Low62 Ų62116.8 Ų116.838%0.3856%0.558SS.*  trans-97.310.9176.1-23.50000112.1P123 C128 S133P123-T131 HydrophobicContact CB-CG2 4.46Å; P123-T131 WeakPolarHBondContact CB-OG1 3.37Å; C128-T131 VanDerWaalsContact CB-OG1 3.24Å; C128-T131 WeakPolarHBondContact CB-OG1 3.32Å; C128-T131 PolarHBondContact O-N 2.82Å; T131-S133 PolarHBondContact O-N 3.19Å; T131-S133 PolarHBondContact O-OG 2.78Å
132Q56Low67.2Low155 Ų155113.6 Ų113.672%0.72456%0.555SS**  trans-69.241.7158.7-60.7-163.62200111.6R134Q132-R134 PolarHBondContact O-N 3.1Å; Q132-R134 VanDerWaalsContact O-N 3.1Å
133S46.6Very low66.3Low81 Ų81112.6 Ų112.657%0.56655%0.553SS**  trans-62.5108.5148.555.70000105.4T131T131-S133 PolarHBondContact O-N 3.19Å; T131-S133 PolarHBondContact O-OG 2.78Å
134R43.2Very low65.7Low224 Ų224114 Ų11485%0.84557%0.565SS**  trans-25.2140.7165.5-80.2168.6140.9-176-4.9111.1Q132 I136Q132-R134 PolarHBondContact O-N 3.1Å; Q132-R134 VanDerWaalsContact O-N 3.1Å; R134-I136 PolarHBondContact O-N 3.03Å
135P44.9Very low65.4Low122 Ų122111 Ų11179%0.79255%0.553SS**  trans-47.6116178.122.4-32.4000107.5H137P135-H137 PolarHBondContact O-N 2.91Å
136I50.2Low65.1Low137 Ų137112 Ų11270%0.70356%0.555SS**  trans-49.7120.6175.1-62.8170.3000103.7R134 T138R134-I136 PolarHBondContact O-N 3.03Å; I136-T138 HydrophobicContact CB-CG2 4.38Å; I136-T138 HydrophobicContact CG2-CG2 3.82Å; I136-T138 PolarHBondContact O-N 3.03Å; I136-T138 PolarHBondContact O-OG1 3.08Å
137H52.3Low64.8Low104 Ų104116.3 Ų116.348%0.48158%0.575SS.*  trans-72.745.5-168.8-153.6-38.2000110.6P135 R139 K140P135-H137 PolarHBondContact O-N 2.91Å; H137-R139 PolarHBondContact O-N 2.95Å; H137-R139 VanDerWaalsContact O-N 3.14Å; H137-K140 WeakPolarHBondContact CE1-CD 3.08Å; H137-K140 WeakPolarHBondContact CE1-CE 3.47Å; H137-K140 WeakPolarHBondContact CE1-CG 3.21Å; H137-K140 WeakPolarHBondContact ND1-CB 3.24Å; H137-K140 VanDerWaalsContact ND1-CG 3.34Å; H137-K140 WeakPolarHBondContact ND1-CG 3.41Å; H137-K140 PolarHBondContact ND1-N 3.33Å; H137-K140 WeakPolarHBondContact NE2-CD 3.19Å; H137-K140 WeakPolarHBondContact NE2-CE 3.38Å; H137-K140 PolarHBondContact NE2-NZ 3.26Å; H137-K140 PolarHBondContact O-N 3.46Å
138T54.6Low64.7Low87 Ų87111.5 Ų111.553%0.53456%0.563SS.*Hα-helixtrans-53-36.2178.148.70000110I136 K140 F141 V142I136-T138 HydrophobicContact CB-CG2 4.38Å; I136-T138 HydrophobicContact CG2-CG2 3.82Å; I136-T138 PolarHBondContact O-N 3.03Å; I136-T138 PolarHBondContact O-OG1 3.08Å; T138-K140 VanDerWaalsContact C-N 3.3Å; T138-K140 PolarHBondContact O-N 3.47Å; T138-F141 PolarHBondContact O-N 3.39Å; T138-F141 VanDerWaalsContact O-N 3.09Å; T138-V142 WeakPolarHBondContact O-CG2 3.36Å; T138-V142 PolarHBondContact O-N 3.08Å
139R57.6Low64.5Low201 Ų201116.6 Ų116.676%0.75859%0.589SS**Hα-helixtrans-55.3-34.2173.7-70.1-174177.5179.3-0.8114.8H137 N143H137-R139 PolarHBondContact O-N 2.95Å; H137-R139 VanDerWaalsContact O-N 3.14Å; R139-N143 VanDerWaalsContact O-CB 3.26Å; R139-N143 WeakPolarHBondContact O-CB 3.07Å; R139-N143 PolarHBondContact O-N 3.26Å; R139-N143 VanDerWaalsContact O-N 3.11Å; R139-N143 PolarHBondContact O-ND2 2.81Å; R139-N143 PolarHBondContact O-OD1 3.04Å
140K58.3Low64.8Low132 Ų132119.4 Ų119.457%0.57459%0.591SS**Hα-helixtrans-74.9-38.5177.2-98170.1-164.6159.20111.1H137 T138 N143 S144H137-K140 WeakPolarHBondContact CE1-CD 3.08Å; H137-K140 WeakPolarHBondContact CE1-CE 3.47Å; H137-K140 WeakPolarHBondContact CE1-CG 3.21Å; H137-K140 WeakPolarHBondContact ND1-CB 3.24Å; H137-K140 VanDerWaalsContact ND1-CG 3.34Å; H137-K140 WeakPolarHBondContact ND1-CG 3.41Å; H137-K140 PolarHBondContact ND1-N 3.33Å; H137-K140 WeakPolarHBondContact NE2-CD 3.19Å; H137-K140 WeakPolarHBondContact NE2-CE 3.38Å; H137-K140 PolarHBondContact NE2-NZ 3.26Å; H137-K140 PolarHBondContact O-N 3.46Å; T138-K140 VanDerWaalsContact C-N 3.3Å; T138-K140 PolarHBondContact O-N 3.47Å; K140-N143 PolarHBondContact O-N 2.88Å; K140-S144 WeakPolarHBondContact O-CB 3.28Å; K140-S144 PolarHBondContact O-N 3.38Å
141F64Low65.4Low151 Ų151120.8 Ų120.866%0.66259%0.593SS**Hα-helixtrans-66.2-44.4178.2-171.2-102.2000111.4T138 N143 L145T138-F141 PolarHBondContact O-N 3.39Å; T138-F141 VanDerWaalsContact O-N 3.09Å; F141-N143 PolarHBondContact O-N 3.09Å; F141-L145 WeakPolarHBondContact O-CB 3.32Å; F141-L145 PolarHBondContact O-N 2.82Å
142V68.6Low66.3Low84 Ų84120.4 Ų120.451%0.50959%0.592SS.*Hα-helixtrans-66.2-39.5176.9-144.70000111.5T138 L145 Q146T138-V142 WeakPolarHBondContact O-CG2 3.36Å; T138-V142 PolarHBondContact O-N 3.08Å; V142-L145 PolarHBondContact O-N 3.22Å; V142-Q146 WeakPolarHBondContact O-CB 3.48Å; V142-Q146 PolarHBondContact O-N 3.05Å
143N72.3Confident67.4Low88 Ų88118.2 Ų118.247%0.47159%0.585SS.*Hα-helixtrans-66.3-45.3178.2-71.8-7.2000112.3R139 K140 F141 L145 Q146 E147R139-N143 VanDerWaalsContact O-CB 3.26Å; R139-N143 WeakPolarHBondContact O-CB 3.07Å; R139-N143 PolarHBondContact O-N 3.26Å; R139-N143 VanDerWaalsContact O-N 3.11Å; R139-N143 PolarHBondContact O-ND2 2.81Å; R139-N143 PolarHBondContact O-OD1 3.04Å; K140-N143 PolarHBondContact O-N 2.88Å; F141-N143 PolarHBondContact O-N 3.09Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 PolarHBondContact O-N 2.08Å; N143-Q146 PolarHBondContact O-N 3.08Å; N143-E147 WeakPolarHBondContact O-CB 3.41Å; N143-E147 WeakPolarHBondContact O-CG 3.28Å; N143-E147 PolarHBondContact O-N 2.86Å
144S72.6Confident68.7Low76 Ų76118.5 Ų118.553%0.53158%0.584SS.*Hα-helixtrans-64.8-35.6176.7-78.20000112.8K140 E147 A148K140-S144 WeakPolarHBondContact O-CB 3.28Å; K140-S144 PolarHBondContact O-N 3.38Å; S144-E147 PolarHBondContact O-N 3.17Å; S144-A148 WeakPolarHBondContact O-CB 3.26Å; S144-A148 PolarHBondContact O-N 2.83Å
145L78Confident69.8Low108 Ų108113.9 Ų113.957%0.56558%0.575SS**Hα-helixtrans-68.1-39.2175.3-153.178.2000111.3F141 V142 N143 A148 L149F141-L145 WeakPolarHBondContact O-CB 3.32Å; F141-L145 PolarHBondContact O-N 2.82Å; V142-L145 PolarHBondContact O-N 3.22Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 PolarHBondContact O-N 2.08Å; L145-A148 PolarHBondContact O-N 3.04Å; L145-L149 WeakPolarHBondContact O-CB 3.26Å; L145-L149 PolarHBondContact O-N 3.31Å
146Q80.7Confident70.5Confident105 Ų105114.4 Ų114.449%0.49157%0.571SS.*Hα-helixtrans-68-36.8176.2-171.6172.34.500112.4V142 N143 R150V142-Q146 WeakPolarHBondContact O-CB 3.48Å; V142-Q146 PolarHBondContact O-N 3.05Å; N143-Q146 PolarHBondContact O-N 3.08Å; Q146-R150 WeakPolarHBondContact O-CB 3.35Å; Q146-R150 WeakPolarHBondContact O-CG 2.9Å; Q146-R150 PolarHBondContact O-N 2.98Å
147E80.9Confident71Confident103 Ų103111.5 Ų111.548%0.48157%0.568SS.*Hα-helixtrans-69.7-40.6174-74-179.8101.900112.2N143 S144 R150 R151N143-E147 WeakPolarHBondContact O-CB 3.41Å; N143-E147 WeakPolarHBondContact O-CG 3.28Å; N143-E147 PolarHBondContact O-N 2.86Å; S144-E147 PolarHBondContact O-N 3.17Å; E147-R150 PolarHBondContact O-N 2.94Å; E147-R151 WeakPolarHBondContact O-CG 3.36Å; E147-R151 PolarHBondContact O-N 3.05Å
148A81.7Confident71.3Confident59 Ų59114.6 Ų114.649%0.48858%0.582SS.*Hα-helixtrans-62.8-41.8175.400000111.8S144 L145 R151 S152S144-A148 WeakPolarHBondContact O-CB 3.26Å; S144-A148 PolarHBondContact O-N 2.83Å; L145-A148 PolarHBondContact O-N 3.04Å; A148-R151 PolarHBondContact O-N 3.47Å; A148-S152 PolarHBondContact O-N 2.1Å; A148-S152 PolarHBondContact O-OG 3.39Å
149L84.5Confident71.3Confident111 Ų111113.2 Ų113.258%0.58159%0.585SS**Hα-helixtrans-68.6-34.4176.4-17065000112.6L145 S152 L153L145-L149 WeakPolarHBondContact O-CB 3.26Å; L145-L149 PolarHBondContact O-N 3.31Å; L149-S152 PolarHBondContact O-OG 2.74Å; L149-L153 HydrophobicContact CG-CD1 4.43Å; L149-L153 WeakPolarHBondContact O-CD1 3.42Å; L149-L153 WeakPolarHBondContact O-CG 3.05Å; L149-L153 PolarHBondContact O-N 3.39Å
150R85.8Confident71.1Confident173 Ų173112.3 Ų112.365%0.65359%0.589SS**Hα-helixtrans-65.6-41.2174-86.5179.7148.2153.2-5112.5Q146 E147 L153 T154Q146-R150 WeakPolarHBondContact O-CB 3.35Å; Q146-R150 WeakPolarHBondContact O-CG 2.9Å; Q146-R150 PolarHBondContact O-N 2.98Å; E147-R150 PolarHBondContact O-N 2.94Å; R150-L153 PolarHBondContact O-N 3.41Å; R150-T154 PolarHBondContact O-N 3.13Å
151R81.6Confident70.8Confident173 Ų173111.8 Ų111.865%0.65360%0.603SS**Hα-helixtrans-67.4-34.4179-71.3176.7-175.9177.93.1113E147 A148 T154E147-R151 WeakPolarHBondContact O-CG 3.36Å; E147-R151 PolarHBondContact O-N 3.05Å; A148-R151 PolarHBondContact O-N 3.47Å; R151-T154 PolarHBondContact O-OG1 3.1Å
152S78.7Confident69.6Low54 Ų54112 Ų11238%0.37865%0.647SS.*Hα-helixtrans-72.1-32.5177.255.60000112.9A148 L149A148-S152 PolarHBondContact O-N 2.1Å; A148-S152 PolarHBondContact O-OG 3.39Å; L149-S152 PolarHBondContact O-OG 2.74Å
153L79.1Confident69.7Low110 Ų110113.4 Ų113.458%0.57665%0.654SS**Hα-helixtrans-70.8-33.6177-71.2165.2000113L149 R150L149-L153 HydrophobicContact CG-CD1 4.43Å; L149-L153 WeakPolarHBondContact O-CD1 3.42Å; L149-L153 WeakPolarHBondContact O-CG 3.05Å; L149-L153 PolarHBondContact O-N 3.39Å; R150-L153 PolarHBondContact O-N 3.41Å
154T72.9Confident69.5Low87 Ų87114.7 Ų114.753%0.53466%0.664SS.*Hα-helixtrans-71.7-33.2179.950.40000113.1R150 R151 N156 A157R150-T154 PolarHBondContact O-N 3.13Å; R151-T154 PolarHBondContact O-OG1 3.1Å; T154-N156 VanDerWaalsContact C-N 3.26Å; T154-N156 PolarHBondContact O-N 2.92Å; T154-A157 PolarHBondContact O-N 3.38Å
155L65.9Low69.4Low126 Ų126116.9 Ų116.966%0.6667%0.671SS**Hα-helixtrans-67.5-25.8178.3-70.9166.9000113
156N61.2Low68.9Low133 Ų133117.4 Ų117.471%0.71168%0.678SS**THydrogen-bonded Turntrans-82.8-12.9177.5-68.9-18000113.2T154T154-N156 VanDerWaalsContact C-N 3.26Å; T154-N156 PolarHBondContact O-N 2.92Å
157A60.5Low68.1Low77 Ų77118.2 Ų118.264%0.63669%0.689SS**THydrogen-bonded Turntrans-85.8-19.2-179.100000113.3T154 G159T154-A157 PolarHBondContact O-N 3.38Å; A157-G159 VanDerWaalsContact C-N 3.34Å
158E57.6Low67.3Low168 Ų168119.2 Ų119.279%0.78570%0.703SS**THydrogen-bonded Turntrans-89.11.8-178.3-58.5-170.4118.900113.3
159G55.6Low66.2Low58 Ų58123.5 Ų123.560%0.59872%0.718SS**THydrogen-bonded Turntrans-101.211.4-175.900000116.7A157A157-G159 VanDerWaalsContact C-N 3.34Å
160H53.1Low64.8Low182 Ų182124.5 Ų124.584%0.84373%0.729SS**SBendtrans-135.456.7177.4-96.560.8000111.2
161S52.2Low63.1Low122 Ų122120.4 Ų120.485%0.85374%0.735SS**  trans-150.974.7168.6-60.90000108.8
162G38.5Very low61.4Low155 Ų155115.6 Ų115.6100%1.59874%0.743SS**  trans-172.50178.100000111

Retrieved 162 of 162 residues in 79.3 ms (Link to these results)

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