A0A077Z6A9_TRITR Loading...

40S ribosomal protein S26

AlphaFold DB , UniProt , Accession A0A077Z6A9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 119 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
1M73.4Confident89.4Confident250 Ų250127.6 Ų127.6100%1.23260%0.596SS**  0125.30-156.9-179.2-111.800109.9
2T88.9Confident89.6Confident146 Ų146121.4 Ų121.490%0.89657%0.566SS**  trans-85.2127.4-172.653.70000112.2
3R90.9Very high89.7Confident140 Ų140121.7 Ų121.753%0.52856%0.564SS.*  trans-110.1102.4-179.9-171.2-177.5-174.9-17511111.1R5 R6 H8R3-R5 VanDerWaalsContact C-N 3.3Å; R3-R5 WeakPolarHBondContact CG-O 3.37Å; R3-R5 PolarHBondContact NE-O 3.2Å; R3-R5 PolarHBondContact O-N 3.09Å; R3-R6 VanDerWaalsContact CZ-O 3.24Å; R3-R6 PolarHBondContact NH2-O 3.34Å; R3-H8 PolarHBondContact NE-CE1 3.16Å; R3-H8 VanDerWaalsContact NE-CE1 3.28Å; R3-H8 PolarHBondContact NE-NE2 3.32Å; R3-H8 PolarHBondContact NH2-CD2 3.04Å; R3-H8 PolarHBondContact NH2-NE2 3.23Å
4K90.4Very high89.8Confident145 Ų145120 Ų12063%0.6360%0.596SS**SBendtrans-59.7-33.3-179.6-171.4173.9-176.9169.30114.3
5R91Very high89.8Confident100 Ų100120.2 Ų120.238%0.37759%0.587SS.*  trans-141.5134.6-177.9-64.3-173.9168.595.4-2.9111.9R3 N7 H8R3-R5 VanDerWaalsContact C-N 3.3Å; R3-R5 WeakPolarHBondContact CG-O 3.37Å; R3-R5 PolarHBondContact NE-O 3.2Å; R3-R5 PolarHBondContact O-N 3.09Å; R5-N7 WeakPolarHBondContact CB-OD1 3.24Å; R5-N7 PolarHBondContact O-N 3.25Å; R5-H8 PolarHBondContact O-N 2.79Å
6R91Very high89.9Confident215 Ų215117.3 Ų117.381%0.81160%0.598SS**THydrogen-bonded Turntrans-57.7-18.6175.5-173.2179177.9-1620.9113.8R3R3-R6 VanDerWaalsContact CZ-O 3.24Å; R3-R6 PolarHBondContact NH2-O 3.34Å
7N90.5Very high90Very high47 Ų47117.9 Ų117.925%0.25160%0.597SS.*THydrogen-bonded Turntrans-106.48.3177.368-9000113.9R5 G9 R10R5-N7 WeakPolarHBondContact CB-OD1 3.24Å; R5-N7 PolarHBondContact O-N 3.25Å; N7-G9 PolarHBondContact O-N 3.04Å; N7-G9 PolarHBondContact OD1-N 3.02Å; N7-R10 PolarHBondContact O-N 3.15Å; N7-R10 VanDerWaalsContact O-N 3.15Å
8H91.8Very high90.1Very high127 Ų127112.4 Ų112.459%0.58857%0.571SS**THydrogen-bonded Turntrans53.522.1-171.8-53.7-80.7000114.3R3 R5 R10R3-H8 PolarHBondContact NE-CE1 3.16Å; R3-H8 VanDerWaalsContact NE-CE1 3.28Å; R3-H8 PolarHBondContact NE-NE2 3.32Å; R3-H8 PolarHBondContact NH2-CD2 3.04Å; R3-H8 PolarHBondContact NH2-NE2 3.23Å; R5-H8 PolarHBondContact O-N 2.79Å; H8-R10 VanDerWaalsContact C-N 3.33Å; H8-R10 PolarHBondContact O-N 2.74Å
9G91.6Very high90.3Very high31 Ų31117.7 Ų117.732%0.3258%0.583SS.*THydrogen-bonded Turntrans72.120.1-17900000115N7N7-G9 PolarHBondContact O-N 3.04Å; N7-G9 PolarHBondContact OD1-N 3.02Å
10R92.9Very high90.5Very high101 Ų101118 Ų11838%0.38158%0.581SS.*SBendtrans-139.4154.1173.664.5179-177.7-168.4-2.7111.6N7 H8 K12 K34N7-R10 PolarHBondContact O-N 3.15Å; N7-R10 VanDerWaalsContact O-N 3.15Å; H8-R10 VanDerWaalsContact C-N 3.33Å; H8-R10 PolarHBondContact O-N 2.74Å; R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 HydrophobicContact CG-CB 4.09Å; R10-K12 PolarHBondContact O-N 3.5Å; R10-K34 HydrophobicContact CB-CB 4.13Å
11N91.4Very high90.7Very high102 Ų102114.2 Ų114.255%0.54556%0.563SS.*  trans-9354.3175.2-164.324.8000112.9R15 D33N11-R15 PolarHBondContact O-NH2 2.91Å; N11-D33 HydrophobicContact CB-CB 4.33Å; N11-D33 PolarHBondContact N-O 2.96Å
12K91.2Very high91.7Very high53 Ų53110.3 Ų110.323%0.2353%0.534CS..  trans-105.3107.4177.1-174.3180170.4-1740108.9R10 R15 G16 V18R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 HydrophobicContact CG-CB 4.09Å; R10-K12 PolarHBondContact O-N 3.5Å; K12-R15 WeakPolarHBondContact CE-O 3.49Å; K12-R15 HydrophobicContact CG-CB 4.2Å; K12-G16 VanDerWaalsContact CE-O 3.23Å; K12-G16 WeakPolarHBondContact CE-O 3.39Å; K12-G16 PolarHBondContact NZ-O 3.01Å; K12-V18 HydrophobicContact CD-CG2 4.05Å; K12-V18 HydrophobicContact CG-CG2 4.05Å
13K91.6Very high92Very high125 Ų125103.6 Ų103.654%0.54349%0.493SS..  trans-130127.6179.8-62.4-64.8-176.81760108.2R15K13-R15 PolarHBondContact O-N 3.26Å; K13-R15 VanDerWaalsContact O-N 3.12Å
14G90.9Very high92.2Very high98 Ų98100.2 Ų100.2100%1.0149%0.488SS*.SBendtrans61.816.7179.700000115.9
15R89.9Confident92.3Very high123 Ų12398.3 Ų98.346%0.46449%0.485SS..  trans-120.3137.7-177.9-66-168.2-70.6-113.34.1110.9N11 K12 K13 D33N11-R15 PolarHBondContact O-NH2 2.91Å; K12-R15 WeakPolarHBondContact CE-O 3.49Å; K12-R15 HydrophobicContact CG-CB 4.2Å; K13-R15 PolarHBondContact O-N 3.26Å; K13-R15 VanDerWaalsContact O-N 3.12Å; R15-D33 IonicContact CZ-OD2 3.59Å; R15-D33 IonicContact NE-OD2 3.68Å; R15-D33 IonicContact NH2-OD1 3.26Å; R15-D33 PolarHBondContact NH2-OD1 3.07Å; R15-D33 IonicContact NH2-OD2 2.73Å; R15-D33 PolarHBondContact NH2-OD2 3.22Å
16G90.7Very high92.5Very high73 Ų7396.9 Ų96.975%0.75349%0.489SS*.SBendtrans-79.2-44.9176.300000113.8K12K12-G16 VanDerWaalsContact CE-O 3.23Å; K12-G16 WeakPolarHBondContact CE-O 3.39Å; K12-G16 PolarHBondContact NZ-O 3.01Å
17H91.5Very high92.6Very high128 Ų12888.2 Ų88.259%0.59347%0.467SS*.  trans-138.4156.5178.4177.2-104.7000110.7F20H17-F20 AromaticContact NE2-CD2 3.96Å; H17-F20 AromaticContact NE2-CE2 3.38Å; H17-F20 WeakPolarHBondContact NE2-CE2 3.45Å
18V92.7Very high92.8Very high20 Ų2093.3 Ų93.312%0.12148%0.483CS..  trans-137.3130.6179.7-179.80000107.3K12 F20 K32 D33K12-V18 HydrophobicContact CD-CG2 4.05Å; K12-V18 HydrophobicContact CG-CG2 4.05Å; V18-F20 PolarHBondContact O-N 2.78Å; V18-K32 HydrophobicContact CG1-CB 3.87Å; V18-D33 WeakPolarHBondContact CG1-OD2 2.88Å; V18-D33 WeakPolarHBondContact CG2-OD2 3.5Å
19R93.5Very high92.9Very high213 Ų21390.1 Ų90.180%0.80447%0.474SS*.  trans-52.6138.2178-68.8-173.7-179.6-175.20.9111.5K32R19-K32 WeakPolarHBondContact O-CB 3.32Å; R19-K32 PolarHBondContact O-N 2.69Å; R19-K32 VanDerWaalsContact O-N 3.14Å
20F94Very high92.9Very high122 Ų12289.3 Ų89.354%0.53546%0.463SS..EExtended strand (participates in β ladder)trans-79.4148.7175-66.3-81.3000110.8H17 V18 C29 P31H17-F20 AromaticContact NE2-CD2 3.96Å; H17-F20 AromaticContact NE2-CE2 3.38Å; H17-F20 WeakPolarHBondContact NE2-CE2 3.45Å; V18-F20 PolarHBondContact O-N 2.78Å; F20-C29 HydrophobicContact CD1-CB 4.42Å; F20-P31 HydrophobicContact CD1-CB 4.23Å; F20-P31 HydrophobicContact CE1-CB 4.17Å; F20-P31 HydrophobicContact CE1-CG 4.45Å
21I94Very high93Very high39 Ų3985.8 Ų85.820%0.245%0.454CS..EExtended strand (participates in β ladder)trans-124147.3173-62.3-180000107.2C30 K32 H72I21-C30 PolarHBondContact N-O 3.16Å; I21-C30 PolarHBondContact O-N 3.44Å; I21-C30 VanDerWaalsContact O-O 3.07Å; I21-K32 HydrophobicContact CD1-CB 3.64Å; I21-K32 HydrophobicContact CD1-CD 3.99Å; I21-K32 HydrophobicContact CD1-CG 3.55Å; I21-K32 HydrophobicContact CG1-CB 4.06Å; I21-K32 HydrophobicContact CG1-CG 4.47Å; I21-H72 HydrophobicContact CG2-CB 3.85Å
22R95.4Very high93.1Very high168 Ų16886 Ų8663%0.63445%0.45SS*.EExtended strand (participates in β ladder)trans-86.2135.3175.6-65.3-74.4176.3160.82.6110.3G27 C29R22-G27 WeakPolarHBondContact CD-O 3.24Å; R22-G27 PolarHBondContact NH1-O 3.4Å; R22-C29 PolarHBondContact NE-SG 3.06Å; R22-C29 VanDerWaalsContact NE-SG 3.42Å; R22-C29 PolarHBondContact NH1-SG 2.7Å; R22-C29 VanDerWaalsContact NH1-SG 3.42Å; R22-C29 PolarHBondContact NH2-SG 3.05Å; R22-C29 VanDerWaalsContact NH2-SG 3.36Å
23C95.5Very high93.2Very high6 Ų684.8 Ų84.84%0.04145%0.446CS..  trans-62.7135.8172-176.10000109.9N25 C26 G27 R28 H72 C74C23-N25 VanDerWaalsContact C-N 3.26Å; C23-N25 PolarHBondContact O-N 3.23Å; C23-C26 VanDerWaalsContact CB-SG 3.6Å; C23-G27 WeakPolarHBondContact O-CA 3.44Å; C23-G27 PolarHBondContact O-N 3.11Å; C23-R28 HydrophobicContact CB-CB 4.47Å; C23-R28 PolarHBondContact N-O 3.41Å; C23-H72 CarbonylContact C-O 3.58Å; C23-H72 VanDerWaalsContact CA-O 3.3Å; C23-H72 WeakPolarHBondContact CA-O 3.3Å; C23-C74 HydrophobicContact CB-CB 4.14Å; C23-C74 PolarHBondContact SG-N 3.04Å
24T94.2Very high93.4Very high69 Ų6983.7 Ų83.742%0.42344%0.441SS..THydrogen-bonded Turntrans-63.2-30.7-179.951.80000113.4L71 H72T24-L71 HydrophobicContact CG2-CD2 4.13Å; T24-H72 PolarHBondContact N-O 3.38Å; T24-H72 PolarHBondContact OG1-O 2.8Å
25N93.3Very high93.6Very high105 Ų10579.6 Ų79.656%0.56140%0.398SS*.THydrogen-bonded Turntrans-95.9-43.1-173.8-66.223.1000112.8C23 Y73C23-N25 VanDerWaalsContact C-N 3.26Å; C23-N25 PolarHBondContact O-N 3.23Å; N25-Y73 WeakPolarHBondContact OD1-CE1 3.39Å
26C94.9Very high93.8Very high69 Ų6975.6 Ų75.647%0.46639%0.385SS..THydrogen-bonded Turntrans-114.61.6-172.165.90000114.3C23 R28 C77C23-C26 VanDerWaalsContact CB-SG 3.6Å; C26-R28 PolarHBondContact O-N 2.7Å; C26-C77 PolarHBondContact SG-SG 3.47Å
27G93Very high93.9Very high34 Ų3477.2 Ų77.235%0.35137%0.371SS..  trans653.1-179.800000115.6R22 C23 C29R22-G27 WeakPolarHBondContact CD-O 3.24Å; R22-G27 PolarHBondContact NH1-O 3.4Å; C23-G27 WeakPolarHBondContact O-CA 3.44Å; C23-G27 PolarHBondContact O-N 3.11Å; G27-C29 PolarHBondContact O-N 3.01Å
28R94.4Very high93.9Very high154 Ų15474.1 Ų74.158%0.58136%0.356SS*.  trans-64.1134-178.8-172176.3-174.61687.5111.8C23 C26 C30C23-R28 HydrophobicContact CB-CB 4.47Å; C23-R28 PolarHBondContact N-O 3.41Å; C26-R28 PolarHBondContact O-N 2.7Å; R28-C30 PolarHBondContact O-N 3.46Å
29C94.7Very high93.9Very high59 Ų5977.5 Ų77.540%0.39937%0.371SS..EExtended strand (participates in β ladder)trans-60.6120.5169.5-69.10000111.1F20 R22 G27F20-C29 HydrophobicContact CD1-CB 4.42Å; R22-C29 PolarHBondContact NE-SG 3.06Å; R22-C29 VanDerWaalsContact NE-SG 3.42Å; R22-C29 PolarHBondContact NH1-SG 2.7Å; R22-C29 VanDerWaalsContact NH1-SG 3.42Å; R22-C29 PolarHBondContact NH2-SG 3.05Å; R22-C29 VanDerWaalsContact NH2-SG 3.36Å; G27-C29 PolarHBondContact O-N 3.01Å
30C92.4Very high93.9Very high14 Ų1468.5 Ų68.510%0.09534%0.338CS..EExtended strand (participates in β ladder)trans-128.8134.5174.4-64.20000109.3I21 R28 K32 A35 C74I21-C30 PolarHBondContact N-O 3.16Å; I21-C30 PolarHBondContact O-N 3.44Å; I21-C30 VanDerWaalsContact O-O 3.07Å; R28-C30 PolarHBondContact O-N 3.46Å; C30-K32 PolarHBondContact O-N 3.12Å; C30-A35 HydrophobicContact CB-CB 4.33Å; C30-C74 WeakPolarHBondContact SG-CB 3.44Å
31P94.9Very high93.8Very high28 Ų2866 Ų6618%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-64.3139.9174.322-25.9000109.5F20 D33 K34 A35F20-P31 HydrophobicContact CD1-CB 4.23Å; F20-P31 HydrophobicContact CE1-CB 4.17Å; F20-P31 HydrophobicContact CE1-CG 4.45Å; P31-D33 PolarHBondContact O-N 2.9Å; P31-K34 HydrophobicContact CG-CB 3.73Å; P31-K34 HydrophobicContact CG-CD 4.36Å; P31-K34 PolarHBondContact O-N 2.87Å; P31-A35 PolarHBondContact O-N 3.49Å
32K93.6Very high93.7Very high105 Ų10571.8 Ų71.846%0.45735%0.352SS..THydrogen-bonded Turntrans-50.7-30.6-176.4177.6172.5-177.2-177.90113.9V18 R19 I21 C30 K37V18-K32 HydrophobicContact CG1-CB 3.87Å; R19-K32 WeakPolarHBondContact O-CB 3.32Å; R19-K32 PolarHBondContact O-N 2.69Å; R19-K32 VanDerWaalsContact O-N 3.14Å; I21-K32 HydrophobicContact CD1-CB 3.64Å; I21-K32 HydrophobicContact CD1-CD 3.99Å; I21-K32 HydrophobicContact CD1-CG 3.55Å; I21-K32 HydrophobicContact CG1-CB 4.06Å; I21-K32 HydrophobicContact CG1-CG 4.47Å; C30-K32 PolarHBondContact O-N 3.12Å; K32-K37 WeakPolarHBondContact O-CE 3.47Å; K32-K37 PolarHBondContact O-NZ 3.36Å; K32-K37 VanDerWaalsContact O-NZ 3.09Å
33D93.4Very high93.5Very high29 Ų2967.3 Ų67.316%0.15534%0.341CS..THydrogen-bonded Turntrans-87.2-7.3-178.2-61.9-28000114.6N11 R15 V18 P31N11-D33 HydrophobicContact CB-CB 4.33Å; N11-D33 PolarHBondContact N-O 2.96Å; R15-D33 IonicContact CZ-OD2 3.59Å; R15-D33 IonicContact NE-OD2 3.68Å; R15-D33 IonicContact NH2-OD1 3.26Å; R15-D33 PolarHBondContact NH2-OD1 3.07Å; R15-D33 IonicContact NH2-OD2 2.73Å; R15-D33 PolarHBondContact NH2-OD2 3.22Å; V18-D33 WeakPolarHBondContact CG1-OD2 2.88Å; V18-D33 WeakPolarHBondContact CG2-OD2 3.5Å; P31-D33 PolarHBondContact O-N 2.9Å
34K94.5Very high93.3Very high102 Ų10271.6 Ų71.644%0.44336%0.362SS..THydrogen-bonded Turntrans-109.6-22.8174.9-168.2174.3-179.6-177.70111.8R10 P31 I36 V75R10-K34 HydrophobicContact CB-CB 4.13Å; P31-K34 HydrophobicContact CG-CB 3.73Å; P31-K34 HydrophobicContact CG-CD 4.36Å; P31-K34 PolarHBondContact O-N 2.87Å; K34-I36 PolarHBondContact O-N 2.9Å; K34-V75 HydrophobicContact CG-CG2 4.38Å
35A94.8Very high93.2Very high11 Ų1169.4 Ų69.49%0.09135%0.349CS..SBendtrans-59.5135.2174.400000110.6C30 P31 K37 Y73C30-A35 HydrophobicContact CB-CB 4.33Å; P31-A35 PolarHBondContact O-N 3.49Å; A35-K37 PolarHBondContact O-N 3.09Å; A35-Y73 WeakPolarHBondContact CA-O 3.44Å
36I94.5Very high93Very high39 Ų3971.1 Ų71.120%0.235%0.354CS..EExtended strand (participates in β ladder)trans-83.4108.6175.9-66.3155.8000106.4K34 Y73 A78 V83 V84K34-I36 PolarHBondContact O-N 2.9Å; I36-Y73 PolarHBondContact N-O 3.32Å; I36-Y73 PolarHBondContact O-N 2.92Å; I36-A78 HydrophobicContact CB-CB 4.28Å; I36-A78 HydrophobicContact CD1-CB 3.16Å; I36-A78 HydrophobicContact CG1-CB 4.3Å; I36-A78 HydrophobicContact CG2-CB 4.37Å; I36-V83 HydrophobicContact CG2-CG1 4.3Å; I36-V84 HydrophobicContact CD1-CG2 3.94Å; I36-V84 HydrophobicContact CG1-CG2 4.4Å; I36-V84 HydrophobicContact CG2-CG2 3.94Å
37K92.6Very high92.8Very high107 Ų10771.8 Ų71.847%0.46536%0.364SS..EExtended strand (participates in β ladder)trans-92.5120.5-176.6-53179-174.31580108.4K32 A35 L71K32-K37 WeakPolarHBondContact O-CE 3.47Å; K32-K37 PolarHBondContact O-NZ 3.36Å; K32-K37 VanDerWaalsContact O-NZ 3.09Å; A35-K37 PolarHBondContact O-N 3.09Å; K37-L71 WeakPolarHBondContact CA-O 3.44Å
38K92.2Very high92.7Very high63 Ų6373.4 Ų73.427%0.27437%0.374SS..EExtended strand (participates in β ladder)trans-122.5109175.3-171.2179176.8-177.80107.9I40 L71 Y73 V83K38-I40 HydrophobicContact CD-CD1 3.91Å; K38-I40 HydrophobicContact CD-CG1 4.06Å; K38-I40 HydrophobicContact CG-CD1 4.24Å; K38-I40 HydrophobicContact CG-CG1 3.83Å; K38-L71 HydrophobicContact CB-CB 4.48Å; K38-L71 PolarHBondContact N-O 2.77Å; K38-L71 PolarHBondContact O-N 3.14Å; K38-Y73 HydrophobicContact CB-CE2 4.44Å; K38-V83 HydrophobicContact CD-CG1 4.08Å
39H92.7Very high92.6Very high92 Ų9267.8 Ų67.843%0.42636%0.36SS..EExtended strand (participates in β ladder)trans-79.9121167.7-167.2-119.6000108.2F68 F69H39-F68 AromaticContact CE1-CD1 3.92Å; H39-F69 WeakPolarHBondContact CA-O 3.41Å
40I92.9Very high92.3Very high23 Ų2367 Ų6712%0.11835%0.353CS..EExtended strand (participates in β ladder)trans-115.3120.7176.9-57.2-169.6000106.9K38 R42 F69 L71K38-I40 HydrophobicContact CD-CD1 3.91Å; K38-I40 HydrophobicContact CD-CG1 4.06Å; K38-I40 HydrophobicContact CG-CD1 4.24Å; K38-I40 HydrophobicContact CG-CG1 3.83Å; I40-R42 HydrophobicContact CG2-CG 3.69Å; I40-F69 HydrophobicContact CB-CB 4.45Å; I40-F69 PolarHBondContact N-O 2.92Å; I40-F69 PolarHBondContact O-N 3.06Å; I40-L71 HydrophobicContact CD1-CD1 3.44Å; I40-L71 VanDerWaalsContact CD1-CD1 3.44Å; I40-L71 HydrophobicContact CD1-CG 4.43Å; I40-L71 HydrophobicContact CG1-CD1 4.15Å
41V92.9Very high92.1Very high71 Ų7175.3 Ų75.343%0.4338%0.383SS..EExtended strand (participates in β ladder)trans-105.3119.4167.3-173.50000105.9K66 L67 F68V41-K66 HydrophobicContact CG1-CB 4.11Å; V41-K66 HydrophobicContact CG1-CD 3.92Å; V41-K66 HydrophobicContact CG1-CG 4.47Å; V41-L67 WeakPolarHBondContact CA-O 3.49Å; V41-F68 HydrophobicContact CB-CE1 4.5Å; V41-F68 HydrophobicContact CG1-CD1 4.15Å; V41-F68 HydrophobicContact CG1-CE1 3.78Å; V41-F68 HydrophobicContact CG1-CZ 4.37Å; V41-F68 HydrophobicContact CG2-CD1 3.81Å; V41-F68 HydrophobicContact CG2-CE1 3.93Å
42R91.8Very high92Very high159 Ų15979.2 Ų79.260%0.640%0.402SS*.EExtended strand (participates in β ladder)trans-129.2148.6175.2-80.7173.6-174.8-169.5-1.1108.1I40 K66 L67I40-R42 HydrophobicContact CG2-CG 3.69Å; R42-K66 CarbonylContact O-C 3.47Å; R42-K66 WeakPolarHBondContact O-CA 3.33Å; R42-L67 PolarHBondContact N-O 3.07Å; R42-L67 PolarHBondContact O-N 2.97Å
43N91.2Very high91.8Very high74 Ų7477.6 Ų77.640%0.39640%0.398SS..EExtended strand (participates in β ladder)trans-66152.3164.9-64.7-1.9000108.2V45 K66N43-V45 WeakPolarHBondContact CB-O 3.33Å; N43-V45 PolarHBondContact O-N 2.94Å; N43-K66 WeakPolarHBondContact OD1-CE 3.44Å; N43-K66 WeakPolarHBondContact OD1-CG 3.37Å
44I91.6Very high91.6Very high96 Ų9679.4 Ų79.449%0.49241%0.41SS..SBendtrans-60.4-40.2173.5-68.5168.8000109.9P65 L67I44-P65 HydrophobicContact CD1-CB 3.6Å; I44-P65 HydrophobicContact CD1-CG 3.7Å; I44-P65 WeakPolarHBondContact CG1-O 3.5Å; I44-P65 PolarHBondContact N-O 3.35Å; I44-P65 VanDerWaalsContact N-O 3.11Å; I44-L67 HydrophobicContact CB-CG 4.47Å; I44-L67 HydrophobicContact CD1-CD2 4.45Å; I44-L67 HydrophobicContact CG1-CD1 4.22Å; I44-L67 HydrophobicContact CG1-CD2 3.76Å; I44-L67 HydrophobicContact CG1-CG 3.61Å
45V90.7Very high91.3Very high24 Ų2482.1 Ų82.115%0.14542%0.424CS..SBendtrans-92.8137.7-178.9-176.50000110.1N43 A49 V50 I53 L64N43-V45 WeakPolarHBondContact CB-O 3.33Å; N43-V45 PolarHBondContact O-N 2.94Å; V45-A49 HydrophobicContact CG1-CB 3.81Å; V45-V50 HydrophobicContact CG1-CG2 3.97Å; V45-I53 HydrophobicContact CB-CD1 4.22Å; V45-I53 HydrophobicContact CG1-CD1 3.59Å; V45-I53 HydrophobicContact CG2-CD1 3.51Å; V45-L64 HydrophobicContact CB-CD1 4.21Å; V45-L64 HydrophobicContact CG2-CD1 4.42Å; V45-L64 HydrophobicContact CG2-CD2 3.95Å
46E90.3Very high91.1Very high141 Ų14185.7 Ų85.766%0.65945%0.454SS*.  trans-77.2150.4172.2-163.9-124.3141.100111A48 A49 V50E46-A48 PolarHBondContact O-N 3.48Å; E46-A49 PolarHBondContact O-N 2.65Å; E46-V50 PolarHBondContact O-N 2.95Å
47A89.4Confident90.7Very high83 Ų8385.7 Ų85.769%0.68646%0.457SS*.G310 helixtrans-56.8-31.8-169.600000114.3
48A92Very high90.6Very high68 Ų6887.1 Ų87.156%0.56248%0.475SS*.G310 helixtrans-65.2-41.7177.100000112.8E46 V50E46-A48 PolarHBondContact O-N 3.48Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 2.73Å
49A91.2Very high90.3Very high35 Ų3591.7 Ų91.729%0.28949%0.491SS..G310 helixtrans-83.5-1.6-177.400000113.7V45 E46 R51 I53V45-A49 HydrophobicContact CG1-CB 3.81Å; E46-A49 PolarHBondContact O-N 2.65Å; A49-R51 VanDerWaalsContact C-N 3.31Å; A49-R51 PolarHBondContact O-N 3Å; A49-I53 WeakPolarHBondContact O-CB 3.4Å; A49-I53 WeakPolarHBondContact O-CG1 3.34Å; A49-I53 PolarHBondContact O-N 3.12Å
50V89.4Confident89.7Confident42 Ų4295.8 Ų95.826%0.25552%0.516SS..Hα-helixtrans-63-40.1-179.6173.40000110.9V45 E46 A48 I53 T54 L64V45-V50 HydrophobicContact CG1-CG2 3.97Å; E46-V50 PolarHBondContact O-N 2.95Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 2.73Å; V50-I53 PolarHBondContact O-N 3.26Å; V50-T54 HydrophobicContact CG1-CG2 4.28Å; V50-T54 VanDerWaalsContact O-CG2 3.32Å; V50-T54 WeakPolarHBondContact O-CG2 3.34Å; V50-T54 PolarHBondContact O-N 2.97Å; V50-T54 PolarHBondContact O-OG1 3.32Å; V50-L64 HydrophobicContact CG1-CD1 4.05Å; V50-L64 HydrophobicContact CG2-CD1 3.96Å
51R88.1Confident89.1Confident190 Ų190100 Ų10072%0.71755%0.548SS*.Hα-helixtrans-65.2-52.2-177.2-67.1-177.4-179.7179-1.2111.9A49 I53 T54 E55A49-R51 VanDerWaalsContact C-N 3.31Å; A49-R51 PolarHBondContact O-N 3Å; R51-I53 PolarHBondContact O-N 2.87Å; R51-T54 WeakPolarHBondContact CA-OG1 3.45Å; R51-T54 PolarHBondContact O-N 2.93Å; R51-T54 PolarHBondContact O-OG1 3.14Å; R51-E55 WeakPolarHBondContact O-CG 3.4Å; R51-E55 PolarHBondContact O-N 3.46Å
52D92.4Very high88.4Confident109 Ų109101.5 Ų101.558%0.58355%0.549SS*.Hα-helixtrans-59.4-38.5-179.9-50.6-23.9000111.5A56D52-A56 VanDerWaalsContact O-CB 3.24Å; D52-A56 WeakPolarHBondContact O-CB 3.27Å; D52-A56 PolarHBondContact O-N 3.46Å
53I89.3Confident88Confident71 Ų7199.9 Ų99.936%0.36456%0.557SS.*Hα-helixtrans-71.7-37.6177.5-68.7-179.4000111.7V45 A49 V50 R51 S57 L64V45-I53 HydrophobicContact CB-CD1 4.22Å; V45-I53 HydrophobicContact CG1-CD1 3.59Å; V45-I53 HydrophobicContact CG2-CD1 3.51Å; A49-I53 WeakPolarHBondContact O-CB 3.4Å; A49-I53 WeakPolarHBondContact O-CG1 3.34Å; A49-I53 PolarHBondContact O-N 3.12Å; V50-I53 PolarHBondContact O-N 3.26Å; R51-I53 PolarHBondContact O-N 2.87Å; I53-S57 VanDerWaalsContact O-CB 3.24Å; I53-S57 WeakPolarHBondContact O-CB 2.92Å; I53-S57 PolarHBondContact O-N 3.45Å; I53-L64 HydrophobicContact CG2-CD2 4.32Å
54T88.2Confident87.8Confident68 Ų6898.1 Ų98.142%0.41755%0.547SS..Hα-helixtrans-67.6-40.5176.348.10000111.8V50 R51 S57V50-T54 HydrophobicContact CG1-CG2 4.28Å; V50-T54 VanDerWaalsContact O-CG2 3.32Å; V50-T54 WeakPolarHBondContact O-CG2 3.34Å; V50-T54 PolarHBondContact O-N 2.97Å; V50-T54 PolarHBondContact O-OG1 3.32Å; R51-T54 WeakPolarHBondContact CA-OG1 3.45Å; R51-T54 PolarHBondContact O-N 2.93Å; R51-T54 PolarHBondContact O-OG1 3.14Å; T54-S57 PolarHBondContact O-N 2.8Å; T54-S57 PolarHBondContact O-OG 2.84Å
55E88.8Confident87.7Confident158 Ų15896.6 Ų96.674%0.73854%0.543SS*.Hα-helixtrans-67.7-35.7177.2-70.4173.8-164.100112.1R51 S57R51-E55 WeakPolarHBondContact O-CG 3.4Å; R51-E55 PolarHBondContact O-N 3.46Å; E55-S57 VanDerWaalsContact C-N 3.32Å
56A90.3Very high87.9Confident86 Ų86101 Ų10171%0.71156%0.56SS**THydrogen-bonded Turntrans-82.3-6175.800000114D52D52-A56 VanDerWaalsContact O-CB 3.24Å; D52-A56 WeakPolarHBondContact O-CB 3.27Å; D52-A56 PolarHBondContact O-N 3.46Å
57S87.3Confident88.1Confident40 Ų4097.3 Ų97.328%0.2855%0.545SS..  trans-86142.3-177.869.60000112.1I53 T54 E55 Y59I53-S57 VanDerWaalsContact O-CB 3.24Å; I53-S57 WeakPolarHBondContact O-CB 2.92Å; I53-S57 PolarHBondContact O-N 3.45Å; T54-S57 PolarHBondContact O-N 2.8Å; T54-S57 PolarHBondContact O-OG 2.84Å; E55-S57 VanDerWaalsContact C-N 3.32Å; S57-Y59 PolarHBondContact O-N 3.01Å; S57-Y59 PolarHBondContact OG-O 3.02Å
58V90.1Very high88.4Confident137 Ų13799.9 Ų99.983%0.8354%0.541SS*.SBendtrans-70-19.2178-178.20000112.2
59Y86Confident88.5Confident158 Ų158101.2 Ų101.262%0.6253%0.534SS*.SBendtrans-104.6126-176.4-59.6-70.8000111S57 S61 F62S57-Y59 PolarHBondContact O-N 3.01Å; S57-Y59 PolarHBondContact OG-O 3.02Å; Y59-S61 PolarHBondContact O-N 2.91Å; Y59-S61 VanDerWaalsContact O-N 3.09Å; Y59-F62 HydrophobicContact CD2-CD2 4.28Å
60D79Confident88.6Confident178 Ų178107 Ų10795%0.95255%0.553SS**THydrogen-bonded Turntrans-58.8-25.5179.5-64.1-34.2000114
61S80.2Confident88.8Confident111 Ų111106.7 Ų106.778%0.77655%0.55SS*.THydrogen-bonded Turntrans-141.173.8179.557.40000112.3Y59Y59-S61 PolarHBondContact O-N 2.91Å; Y59-S61 VanDerWaalsContact O-N 3.09Å
62F79.3Confident89.2Confident104 Ų10499.8 Ų99.846%0.45653%0.525SS..  trans-84.3121.5174.2-172.1-110.3000112.5Y59 L64Y59-F62 HydrophobicContact CD2-CD2 4.28Å; F62-L64 HydrophobicContact CD1-CD2 4.13Å; F62-L64 HydrophobicContact CE1-CD2 4.4Å; F62-L64 PolarHBondContact O-N 3.3Å
63T83.9Confident89.4Confident125 Ų12595.7 Ų95.777%0.76750%0.502SS*.  trans-74.9109.1171.758.60000110.5
64L85.8Confident89.6Confident37 Ų3792.5 Ų92.519%0.19449%0.486CS..  trans-61.6130.6179.2-68.7171.1000112V45 V50 I53 F62V45-L64 HydrophobicContact CB-CD1 4.21Å; V45-L64 HydrophobicContact CG2-CD1 4.42Å; V45-L64 HydrophobicContact CG2-CD2 3.95Å; V50-L64 HydrophobicContact CG1-CD1 4.05Å; V50-L64 HydrophobicContact CG2-CD1 3.96Å; I53-L64 HydrophobicContact CG2-CD2 4.32Å; F62-L64 HydrophobicContact CD1-CD2 4.13Å; F62-L64 HydrophobicContact CE1-CD2 4.4Å; F62-L64 PolarHBondContact O-N 3.3Å
65P90.6Very high89.9Confident63 Ų6392.3 Ų92.341%0.40948%0.484SS..  trans-69.6157.91781.39.1000112I44I44-P65 HydrophobicContact CD1-CB 3.6Å; I44-P65 HydrophobicContact CD1-CG 3.7Å; I44-P65 WeakPolarHBondContact CG1-O 3.5Å; I44-P65 PolarHBondContact N-O 3.35Å; I44-P65 VanDerWaalsContact N-O 3.11Å
66K94.1Very high90.2Very high116 Ų11688.2 Ų88.250%0.50447%0.473SS..EExtended strand (participates in β ladder)trans-112.8139.8-177.4-64.9179.2-176.7172.20111.5V41 R42 N43 F68V41-K66 HydrophobicContact CG1-CB 4.11Å; V41-K66 HydrophobicContact CG1-CD 3.92Å; V41-K66 HydrophobicContact CG1-CG 4.47Å; R42-K66 CarbonylContact O-C 3.47Å; R42-K66 WeakPolarHBondContact O-CA 3.33Å; N43-K66 WeakPolarHBondContact OD1-CE 3.44Å; N43-K66 WeakPolarHBondContact OD1-CG 3.37Å; K66-F68 HydrophobicContact CB-CE2 3.97Å; K66-F68 HydrophobicContact CB-CZ 4.01Å; K66-F68 WeakPolarHBondContact O-CD2 3.39Å; K66-F68 WeakPolarHBondContact O-CE2 3.14Å
67L94.6Very high90.5Very high65 Ų6585.1 Ų85.134%0.3445%0.446SS..EExtended strand (participates in β ladder)trans-86.1130.7169.2-62.3174.3000110.5V41 R42 I44 F69V41-L67 WeakPolarHBondContact CA-O 3.49Å; R42-L67 PolarHBondContact N-O 3.07Å; R42-L67 PolarHBondContact O-N 2.97Å; I44-L67 HydrophobicContact CB-CG 4.47Å; I44-L67 HydrophobicContact CD1-CD2 4.45Å; I44-L67 HydrophobicContact CG1-CD1 4.22Å; I44-L67 HydrophobicContact CG1-CD2 3.76Å; I44-L67 HydrophobicContact CG1-CG 3.61Å; L67-F69 HydrophobicContact CB-CD2 4.08Å; L67-F69 HydrophobicContact CB-CE2 3.5Å; L67-F69 VanDerWaalsContact CB-CE2 3.5Å; L67-F69 HydrophobicContact CB-CZ 4.04Å; L67-F69 HydrophobicContact CD1-CE2 3.75Å; L67-F69 HydrophobicContact CD1-CZ 3.98Å; L67-F69 HydrophobicContact CD2-CZ 4.45Å; L67-F69 HydrophobicContact CG-CE2 4.15Å; L67-F69 HydrophobicContact CG-CZ 4.38Å
68F95.5Very high90.9Very high136 Ų13683.2 Ų83.260%0.59643%0.433SS*.EExtended strand (participates in β ladder)trans-113.4102.3178.4-62.2-86.7000110H39 V41 K66H39-F68 AromaticContact CE1-CD1 3.92Å; V41-F68 HydrophobicContact CB-CE1 4.5Å; V41-F68 HydrophobicContact CG1-CD1 4.15Å; V41-F68 HydrophobicContact CG1-CE1 3.78Å; V41-F68 HydrophobicContact CG1-CZ 4.37Å; V41-F68 HydrophobicContact CG2-CD1 3.81Å; V41-F68 HydrophobicContact CG2-CE1 3.93Å; K66-F68 HydrophobicContact CB-CE2 3.97Å; K66-F68 HydrophobicContact CB-CZ 4.01Å; K66-F68 WeakPolarHBondContact O-CD2 3.39Å; K66-F68 WeakPolarHBondContact O-CE2 3.14Å
69F93.7Very high91.1Very high97 Ų9780.8 Ų80.843%0.42541%0.414SS..EExtended strand (participates in β ladder)trans-106.3121177.5-63.2-69.2000111.2H39 I40 L67 L71H39-F69 WeakPolarHBondContact CA-O 3.41Å; I40-F69 HydrophobicContact CB-CB 4.45Å; I40-F69 PolarHBondContact N-O 2.92Å; I40-F69 PolarHBondContact O-N 3.06Å; L67-F69 HydrophobicContact CB-CD2 4.08Å; L67-F69 HydrophobicContact CB-CE2 3.5Å; L67-F69 VanDerWaalsContact CB-CE2 3.5Å; L67-F69 HydrophobicContact CB-CZ 4.04Å; L67-F69 HydrophobicContact CD1-CE2 3.75Å; L67-F69 HydrophobicContact CD1-CZ 3.98Å; L67-F69 HydrophobicContact CD2-CZ 4.45Å; L67-F69 HydrophobicContact CG-CE2 4.15Å; L67-F69 HydrophobicContact CG-CZ 4.38Å; F69-L71 HydrophobicContact CB-CD2 4.2Å; F69-L71 HydrophobicContact CB-CG 4.22Å; F69-L71 PolarHBondContact O-N 2.92Å
70K93.2Very high91.6Very high156 Ų15681.1 Ų81.168%0.67842%0.421SS*.EExtended strand (participates in β ladder)trans-93.188.2166.4-75.4177.6-176.4167.80109.3
71L94.5Very high92.3Very high36 Ų3675 Ų7519%0.18839%0.393CS..EExtended strand (participates in β ladder)trans-80.4133.7179.2-58.3179.5000110.9T24 K37 K38 I40 F69 Y73T24-L71 HydrophobicContact CG2-CD2 4.13Å; K37-L71 WeakPolarHBondContact CA-O 3.44Å; K38-L71 HydrophobicContact CB-CB 4.48Å; K38-L71 PolarHBondContact N-O 2.77Å; K38-L71 PolarHBondContact O-N 3.14Å; I40-L71 HydrophobicContact CD1-CD1 3.44Å; I40-L71 VanDerWaalsContact CD1-CD1 3.44Å; I40-L71 HydrophobicContact CD1-CG 4.43Å; I40-L71 HydrophobicContact CG1-CD1 4.15Å; F69-L71 HydrophobicContact CB-CD2 4.2Å; F69-L71 HydrophobicContact CB-CG 4.22Å; F69-L71 PolarHBondContact O-N 2.92Å; L71-Y73 HydrophobicContact CB-CD2 4.41Å; L71-Y73 HydrophobicContact CB-CE2 3.74Å; L71-Y73 HydrophobicContact CD1-CE2 4.22Å; L71-Y73 VanDerWaalsContact CD1-OH 3.27Å; L71-Y73 WeakPolarHBondContact CD1-OH 3.44Å
72H95.7Very high93Very high44 Ų4477 Ų7720%0.20439%0.388CS..EExtended strand (participates in β ladder)trans-119.5110.2178.2-66.5-49.6000109.6I21 C23 T24I21-H72 HydrophobicContact CG2-CB 3.85Å; C23-H72 CarbonylContact C-O 3.58Å; C23-H72 VanDerWaalsContact CA-O 3.3Å; C23-H72 WeakPolarHBondContact CA-O 3.3Å; T24-H72 PolarHBondContact N-O 3.38Å; T24-H72 PolarHBondContact OG1-O 2.8Å
73Y96.3Very high93.6Very high24 Ų2474.3 Ų74.39%0.09438%0.379CS..EExtended strand (participates in β ladder)trans-104.9145.5179.6-63.1-74000112.4N25 A35 I36 K38 L71 C77 V83N25-Y73 WeakPolarHBondContact OD1-CE1 3.39Å; A35-Y73 WeakPolarHBondContact CA-O 3.44Å; I36-Y73 PolarHBondContact N-O 3.32Å; I36-Y73 PolarHBondContact O-N 2.92Å; K38-Y73 HydrophobicContact CB-CE2 4.44Å; L71-Y73 HydrophobicContact CB-CD2 4.41Å; L71-Y73 HydrophobicContact CB-CE2 3.74Å; L71-Y73 HydrophobicContact CD1-CE2 4.22Å; L71-Y73 VanDerWaalsContact CD1-OH 3.27Å; L71-Y73 WeakPolarHBondContact CD1-OH 3.44Å; Y73-C77 HydrophobicContact CD1-CB 4.17Å; Y73-V83 HydrophobicContact CE2-CG2 4.35Å
74C95.4Very high94Very high4 Ų471 Ų713%0.02736%0.358CS..  trans-72.6161.2158.677.70000110.1C23 C30 S76 C77 A78C23-C74 HydrophobicContact CB-CB 4.14Å; C23-C74 PolarHBondContact SG-N 3.04Å; C30-C74 WeakPolarHBondContact SG-CB 3.44Å; C74-S76 VanDerWaalsContact C-N 3.26Å; C74-S76 PolarHBondContact O-N 2.75Å; C74-C77 PolarHBondContact O-N 2.98Å; C74-C77 PolarHBondContact SG-N 3.02Å; C74-C77 PolarHBondContact SG-SG 3.31Å; C74-A78 WeakPolarHBondContact O-CB 3.36Å; C74-A78 PolarHBondContact O-N 3.06Å
75V94Very high94.3Very high63 Ų6378 Ų7838%0.38238%0.382SS..Hα-helixtrans-60.6-37.6-178.1-178.50000111.5K34 A78 I79K34-V75 HydrophobicContact CG-CG2 4.38Å; V75-A78 PolarHBondContact O-N 3.43Å; V75-I79 HydrophobicContact CG1-CD1 3.94Å; V75-I79 WeakPolarHBondContact O-CG1 3.43Å; V75-I79 PolarHBondContact O-N 3.22Å
76S94.9Very high94.4Very high72 Ų7281.7 Ų81.750%0.50340%0.399SS..Hα-helixtrans-63.7-51.3178.6-50.90000111.9C74 A78 I79 H80C74-S76 VanDerWaalsContact C-N 3.26Å; C74-S76 PolarHBondContact O-N 2.75Å; S76-A78 VanDerWaalsContact C-N 3.3Å; S76-A78 PolarHBondContact O-N 3.15Å; S76-I79 PolarHBondContact O-N 3.04Å; S76-H80 PolarHBondContact O-N 3.49Å
77C95.9Very high94.3Very high21 Ų2181.4 Ų81.414%0.14240%0.395CS..Hα-helixtrans-63.2-37.2179.1-680000112.2C26 Y73 C74 I79 H80 S81C26-C77 PolarHBondContact SG-SG 3.47Å; Y73-C77 HydrophobicContact CD1-CB 4.17Å; C74-C77 PolarHBondContact O-N 2.98Å; C74-C77 PolarHBondContact SG-N 3.02Å; C74-C77 PolarHBondContact SG-SG 3.31Å; C77-I79 VanDerWaalsContact C-N 3.32Å; C77-I79 PolarHBondContact O-N 3.47Å; C77-H80 PolarHBondContact O-N 3.3Å; C77-S81 WeakPolarHBondContact O-CB 3.26Å; C77-S81 PolarHBondContact O-N 3.41Å; C77-S81 PolarHBondContact O-OG 3.04Å
78A95.6Very high94.2Very high0 Ų081.9 Ų81.90%040%0.403CS..Hα-helixtrans-68.9-30.8-179.600000113.4I36 C74 V75 S76 K82 V83 V84I36-A78 HydrophobicContact CB-CB 4.28Å; I36-A78 HydrophobicContact CD1-CB 3.16Å; I36-A78 HydrophobicContact CG1-CB 4.3Å; I36-A78 HydrophobicContact CG2-CB 4.37Å; C74-A78 WeakPolarHBondContact O-CB 3.36Å; C74-A78 PolarHBondContact O-N 3.06Å; V75-A78 PolarHBondContact O-N 3.43Å; S76-A78 VanDerWaalsContact C-N 3.3Å; S76-A78 PolarHBondContact O-N 3.15Å; A78-K82 PolarHBondContact O-N 3.36Å; A78-V83 HydrophobicContact CB-CB 4.45Å; A78-V83 PolarHBondContact O-N 3.37Å; A78-V84 HydrophobicContact CB-CG2 4.41Å; A78-V84 PolarHBondContact O-N 3.32Å; A78-V84 VanDerWaalsContact O-N 3.14Å
79I95.9Very high94Very high86 Ų8685.7 Ų85.744%0.44141%0.414SS..Hα-helixtrans-75.1-45.4173.9-66.7168.9000109.6V75 S76 C77 S81 K82V75-I79 HydrophobicContact CG1-CD1 3.94Å; V75-I79 WeakPolarHBondContact O-CG1 3.43Å; V75-I79 PolarHBondContact O-N 3.22Å; S76-I79 PolarHBondContact O-N 3.04Å; C77-I79 VanDerWaalsContact C-N 3.32Å; C77-I79 PolarHBondContact O-N 3.47Å; I79-S81 PolarHBondContact O-N 3.19Å; I79-K82 PolarHBondContact O-N 3.46Å
80H96Very high93.8Very high165 Ų16588.7 Ų88.776%0.76443%0.429SS*.Hα-helixtrans-60.7-45.5179.5-176.773.4000112.4S76 C77 K82S76-H80 PolarHBondContact O-N 3.49Å; C77-H80 PolarHBondContact O-N 3.3Å; H80-K82 PolarHBondContact O-N 3.27Å
81S93.8Very high93.7Very high51 Ų5182.7 Ų82.736%0.35741%0.409SS..THydrogen-bonded Turntrans-78.57.2176.158.80000114.2C77 I79 V83C77-S81 WeakPolarHBondContact O-CB 3.26Å; C77-S81 PolarHBondContact O-N 3.41Å; C77-S81 PolarHBondContact O-OG 3.04Å; I79-S81 PolarHBondContact O-N 3.19Å; S81-V83 PolarHBondContact O-N 2.89Å; S81-V83 WeakPolarHBondContact OG-CG2 3.38Å
82K93.6Very high93.6Very high153 Ų15384.5 Ų84.567%0.66541%0.413SS*.THydrogen-bonded Turntrans57.122178.6-56.2170.8-176.1175.20114.2A78 I79 H80A78-K82 PolarHBondContact O-N 3.36Å; I79-K82 PolarHBondContact O-N 3.46Å; H80-K82 PolarHBondContact O-N 3.27Å
83V92.1Very high93.3Very high46 Ų4692.6 Ų92.628%0.27944%0.442SS..SBendtrans-68.9-37.5174.5175.80000110.8I36 K38 Y73 A78 S81I36-V83 HydrophobicContact CG2-CG1 4.3Å; K38-V83 HydrophobicContact CD-CG1 4.08Å; Y73-V83 HydrophobicContact CE2-CG2 4.35Å; A78-V83 HydrophobicContact CB-CB 4.45Å; A78-V83 PolarHBondContact O-N 3.37Å; S81-V83 PolarHBondContact O-N 2.89Å; S81-V83 WeakPolarHBondContact OG-CG2 3.38Å
84V92.7Very high92.9Very high55 Ų5596.1 Ų96.133%0.33346%0.462SS..SBendtrans-124.4140.8173.7-178.70000108.9I36 A78I36-V84 HydrophobicContact CD1-CG2 3.94Å; I36-V84 HydrophobicContact CG1-CG2 4.4Å; I36-V84 HydrophobicContact CG2-CG2 3.94Å; A78-V84 HydrophobicContact CB-CG2 4.41Å; A78-V84 PolarHBondContact O-N 3.32Å; A78-V84 VanDerWaalsContact O-N 3.14Å
85R92.4Very high92.6Very high184 Ų184105.7 Ų105.769%0.69450%0.498SS*.  trans-113.8158.4179.2-63.3-175.4176.892.6-1.5112
86N92.3Very high92.3Very high142 Ų142109.5 Ų109.576%0.75952%0.516SS*.  trans-65.4137.9170.8-78.20000109.9
87R92.7Very high91.9Very high110 Ų110111.5 Ų111.542%0.41553%0.527SS..  trans-123.8152.5-179.9-69.7-174.8-79.1160.5-12.8110.6A91 R92 D94R87-A91 HydrophobicContact CB-CB 4.42Å; R87-A91 PolarHBondContact NH1-O 3.28Å; R87-R92 HydrophobicContact CB-CG 4.04Å; R87-R92 PolarHBondContact O-NE 3.36Å; R87-R92 PolarHBondContact O-NH2 3.42Å; R87-R92 VanDerWaalsContact O-NH2 3.11Å; R87-D94 PolarHBondContact NH1-O 3.42Å
88S93Very high91.2Very high74 Ų74115.6 Ų115.652%0.51755%0.553SS.*  trans-60168.7174.968.70000112E90 A91 R92S88-E90 VanDerWaalsContact C-N 3.29Å; S88-E90 PolarHBondContact O-N 3.38Å; S88-A91 VanDerWaalsContact OG-CB 3.26Å; S88-A91 WeakPolarHBondContact OG-CB 3.23Å; S88-A91 PolarHBondContact OG-N 2.61Å; S88-R92 WeakPolarHBondContact O-CD 3.46Å; S88-R92 WeakPolarHBondContact O-CG 3.34Å; S88-R92 PolarHBondContact O-N 3.46Å; S88-R92 PolarHBondContact O-NE 3.27Å
89R90.1Very high90.5Very high216 Ų216121.3 Ų121.382%0.81559%0.591SS**THydrogen-bonded Turntrans-59.6-42-176.5-174.3179.1178.8-171.91.1111.7
90E90.4Very high89.2Confident160 Ų160126.2 Ų126.275%0.74860%0.604SS**THydrogen-bonded Turntrans-75.6-51.8-178-69163.2-166.700111.3S88 R92 R93S88-E90 VanDerWaalsContact C-N 3.29Å; S88-E90 PolarHBondContact O-N 3.38Å; E90-R92 PolarHBondContact O-N 2.93Å; E90-R93 WeakPolarHBondContact O-CB 2.78Å; E90-R93 PolarHBondContact O-N 3.43Å
91A91.6Very high87.7Confident31 Ų31126.6 Ų126.626%0.25660%0.604SS.*THydrogen-bonded Turntrans-63.9-7.5-179.100000114.7R87 S88 R93R87-A91 HydrophobicContact CB-CB 4.42Å; R87-A91 PolarHBondContact NH1-O 3.28Å; S88-A91 VanDerWaalsContact OG-CB 3.26Å; S88-A91 WeakPolarHBondContact OG-CB 3.23Å; S88-A91 PolarHBondContact OG-N 2.61Å; A91-R93 VanDerWaalsContact C-N 3.32Å
92R90.8Very high85.7Confident74 Ų74128.6 Ų128.628%0.27962%0.615SS.*THydrogen-bonded Turntrans-73.8-22.5170.4-78.6165.5-166.11749.2113R87 S88 E90 D94R87-R92 HydrophobicContact CB-CG 4.04Å; R87-R92 PolarHBondContact O-NE 3.36Å; R87-R92 PolarHBondContact O-NH2 3.42Å; R87-R92 VanDerWaalsContact O-NH2 3.11Å; S88-R92 WeakPolarHBondContact O-CD 3.46Å; S88-R92 WeakPolarHBondContact O-CG 3.34Å; S88-R92 PolarHBondContact O-N 3.46Å; S88-R92 PolarHBondContact O-NE 3.27Å; E90-R92 PolarHBondContact O-N 2.93Å; R92-D94 VanDerWaalsContact C-N 3.33Å
93R89.4Confident83.5Confident213 Ų213129.8 Ų129.880%0.80463%0.628SS**SBendtrans-73.6-31.9178.7-67.9-176.2178.9-122.85.5110.9E90 A91 R95E90-R93 WeakPolarHBondContact O-CB 2.78Å; E90-R93 PolarHBondContact O-N 3.43Å; A91-R93 VanDerWaalsContact C-N 3.32Å; R93-R95 WeakPolarHBondContact O-CG 3.23Å; R93-R95 PolarHBondContact O-N 2.98Å
94D89.5Confident80.9Confident98 Ų98137.8 Ų137.852%0.52465%0.653SS.*  trans-65.6123.9177.3-54.2-36.4000111R87 R92R87-D94 PolarHBondContact NH1-O 3.42Å; R92-D94 VanDerWaalsContact C-N 3.33Å
95R87.7Confident78.2Confident206 Ų206137.3 Ų137.378%0.77766%0.659SS**  trans-110.4-2.3-179.6-62.7-178.6-169.6162.77.1112.9R93R93-R95 WeakPolarHBondContact O-CG 3.23Å; R93-R95 PolarHBondContact O-N 2.98Å
96N88.7Confident75.7Confident143 Ų143135 Ų13577%0.76566%0.66SS**SBendtrans-64.4133.3176.7-65.1-14.1000108.9
97P85Confident73.3Confident113 Ų113138.1 Ų138.173%0.73467%0.668SS**PPolyproline II helixtrans-62.2141.6175.526.8-32.4000108.8
98P81.6Confident70.7Confident107 Ų107136.7 Ų136.770%0.69569%0.687SS**PPolyproline II helixtrans-61.4139.3174.125.8-32.6000109.3R100P98-R100 PolarHBondContact O-N 3.48Å; P98-R100 VanDerWaalsContact O-N 3.12Å
99P80.5Confident68.1Low121 Ų121135.9 Ų135.979%0.78669%0.685SS**PPolyproline II helixtrans-59.9118.2174.124.2-31.5000108.7
100R69Low65.4Low188 Ų188129 Ų12971%0.70968%0.681SS**SBendtrans-78.1-34.9-178.6-80.9-173.8176.5168.71.5112.4P98P98-R100 PolarHBondContact O-N 3.48Å; P98-R100 VanDerWaalsContact O-N 3.12Å
101F65.6Low62.8Low174 Ų174133.3 Ų133.376%0.76369%0.691SS**SBendtrans-92.6126.8174.2-58.8-73.4000106.2L103F101-L103 PolarHBondContact O-N 3.11Å; F101-L103 VanDerWaalsContact O-N 3.16Å
102P51.6Low60.4Low92 Ų92136.1 Ų136.160%0.59771%0.714SS**  trans-55.9127.9157.227.7-30.1000104.9R104P102-R104 HydrophobicContact CB-CB 3.96Å; P102-R104 HydrophobicContact CB-CG 3.94Å; P102-R104 HydrophobicContact CG-CB 4.17Å; P102-R104 HydrophobicContact CG-CG 4.48Å; P102-R104 PolarHBondContact O-N 2.87Å
103L47.1Very low57.8Low179 Ų179138.5 Ų138.594%0.93774%0.739SS**  trans-64.968.2156.9-175.771.2000106.4F101F101-L103 PolarHBondContact O-N 3.11Å; F101-L103 VanDerWaalsContact O-N 3.16Å
104R37.5Very low55.4Low214 Ų214131.8 Ų131.881%0.80874%0.736SS**  trans-106.5105.6172.9-96.7-173.8177.9-133.41105.4P102P102-R104 HydrophobicContact CB-CB 3.96Å; P102-R104 HydrophobicContact CB-CG 3.94Å; P102-R104 HydrophobicContact CG-CB 4.17Å; P102-R104 HydrophobicContact CG-CG 4.48Å; P102-R104 PolarHBondContact O-N 2.87Å
105G36.2Very low52.9Low44 Ų44136.3 Ų136.345%0.45476%0.756SS.*SBendtrans99.3102.7170.400000113.2F107G105-F107 WeakPolarHBondContact O-CD2 3Å; G105-F107 WeakPolarHBondContact O-CE2 3.4Å; G105-F107 WeakPolarHBondContact O-CG 3.38Å; G105-F107 PolarHBondContact O-N 2.97Å
106N39.4Very low50.6Low135 Ų135131 Ų13172%0.72276%0.756SS**  3817.8126.9-116.139.6000122.8G108 A109N106-G108 PolarHBondContact O-N 3.19Å; N106-A109 WeakPolarHBondContact ND2-CB 3.18Å; N106-A109 PolarHBondContact O-N 3.25Å; N106-A109 VanDerWaalsContact O-N 3.15Å
107F41.8Very low48.2Very low208 Ų208133.2 Ų133.291%0.91277%0.765SS**THydrogen-bonded Turntrans-75.938.3178-64.5-70.3000113.6G105G105-F107 WeakPolarHBondContact O-CD2 3Å; G105-F107 WeakPolarHBondContact O-CE2 3.4Å; G105-F107 WeakPolarHBondContact O-CG 3.38Å; G105-F107 PolarHBondContact O-N 2.97Å
108G38.7Very low46Very low81 Ų81131.4 Ų131.484%0.83577%0.766SS**THydrogen-bonded Turntrans-150.6-1.8170.500000113.8N106N106-G108 PolarHBondContact O-N 3.19Å
109A37.7Very low44Very low57 Ų57140 Ų14047%0.47179%0.793SS.*SBendtrans-112.4103.9176.700000109.9N106N106-A109 WeakPolarHBondContact ND2-CB 3.18Å; N106-A109 PolarHBondContact O-N 3.25Å; N106-A109 VanDerWaalsContact O-N 3.15Å
110G33.9Very low42.2Very low71 Ų71140.9 Ų140.973%0.73279%0.793SS**  trans73.570.5152.700000117.6A112G110-A112 PolarHBondContact O-N 3.48Å
111R36.8Very low40.8Very low251 Ų251138.4 Ų138.495%0.94780%0.798SS**  trans-78.277.5135.9-72.7-173.3-174.4-143.21106.8P113R111-P113 WeakPolarHBondContact O-CD 3.42Å
112A39.4Very low39.4Very low90 Ų90136.4 Ų136.474%0.74480%0.799SS**  trans-75.7118.4166.200000107.3G110G110-A112 PolarHBondContact O-N 3.48Å
113P36.9Very low38.7Very low123 Ų123139.1 Ų139.180%0.79981%0.811SS**  trans-77.7133.1170.231.1-29.2000109.3R111R111-P113 WeakPolarHBondContact O-CD 3.42Å
114G39.2Very low38.2Very low73 Ų73136.6 Ų136.675%0.75380%0.803SS**  trans70.188.3153.600000117A116G114-A116 PolarHBondContact O-N 3.28Å
115M36.3Very low38.3Very low192 Ų192131.4 Ų131.495%0.94680%0.803SS**  trans-71.588.9146.8-128.789.7149.100107M117M115-M117 PolarHBondContact O-N 2.79Å
116A39.8Very low38.4Very low94 Ų94137.6 Ų137.678%0.77783%0.828SS**  trans-71.4107.8156.500000106.4G114 G118G114-A116 PolarHBondContact O-N 3.28Å; A116-G118 PolarHBondContact O-N 3.21Å; A116-G118 VanDerWaalsContact O-N 3.16Å
117M39.2Very low38.3Very low190 Ų190137.8 Ų137.894%0.93684%0.836SS**  trans-63110.8165.7-86.8-177.5156.500107.9M115M115-M117 PolarHBondContact O-N 2.79Å
118G38Very low38Very low75 Ų75132 Ų13277%0.77383%0.83SS**  trans-108.197170.200000110.6A116A116-G118 PolarHBondContact O-N 3.21Å; A116-G118 VanDerWaalsContact O-N 3.16Å
119K40.6Very low38Very low287 Ų287136.6 Ų136.6100%1.24883%0.83SS**  trans172.90131.9-96.8-174.4180-175.70108.6

Retrieved 119 of 119 residues in 91.2 ms (Link to these results)