A0A024DBG3_HUMAN Loading...

Integrin beta-2

AlphaFold DB , UniProt , Accession A0A024DBG3, Species HUMAN (Homo sapiens, Human), Gene ITGB2, Length 67 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
1S86.1Confident91.3Very high27 Ų2749.5 Ų49.519%0.18925%0.253CS..  0-178.7059.90000110E4 C5 E38S1-E4 PolarHBondContact N-OE2 3.14Å; S1-E4 WeakPolarHBondContact OG-CB 3.47Å; S1-E4 PolarHBondContact OG-N 3.12Å; S1-C5 PolarHBondContact O-N 2.85Å; S1-E38 VanDerWaalsContact CB-CD 3.5Å; S1-E38 WeakPolarHBondContact CB-OE1 3.23Å; S1-E38 PolarHBondContact OG-OE1 2.96Å
2C93Very high90.9Very high32 Ų3253.2 Ų53.222%0.21628%0.283CS..Hα-helixtrans-67.4-40.6175.6-72.90000113E4 C5 L6 C21 L24C2-E4 VanDerWaalsContact C-N 3.27Å; C2-E4 PolarHBondContact O-N 3.21Å; C2-C5 PolarHBondContact O-N 3.47Å; C2-L6 VanDerWaalsContact O-CB 3.27Å; C2-L6 WeakPolarHBondContact O-CB 3.45Å; C2-L6 WeakPolarHBondContact O-CD1 3.26Å; C2-L6 VanDerWaalsContact O-CG 3.22Å; C2-L6 WeakPolarHBondContact O-CG 3.27Å; C2-L6 PolarHBondContact O-N 2.69Å; C2-C21 WeakPolarHBondContact CA-SG 3.42Å; C2-C21 HydrophobicContact CB-CB 3.84Å; C2-C21 WeakPolarHBondContact CB-SG 3.39Å; C2-C21 WeakPolarHBondContact SG-CB 3.37Å; C2-C21 CovalentContact SG-SG 2.02Å; C2-C21 PolarHBondContact SG-SG 2.9Å; C2-L24 HydrophobicContact CB-CD2 4.37Å
3A94.1Very high90.7Very high1 Ų154.6 Ų54.61%0.00829%0.285CS..Hα-helixtrans-59.4-41.9176.400000111.5K7 E38 V46 Y48 I61 V63A3-K7 WeakPolarHBondContact O-CB 3.37Å; A3-K7 PolarHBondContact O-N 3.03Å; A3-K7 VanDerWaalsContact O-N 3.16Å; A3-E38 WeakPolarHBondContact CB-OE1 3.44Å; A3-V46 HydrophobicContact CB-CG1 4.11Å; A3-Y48 HydrophobicContact CB-CD1 3.71Å; A3-Y48 HydrophobicContact CB-CE1 4.03Å; A3-Y48 HydrophobicContact CB-CG 4.11Å; A3-I61 HydrophobicContact CB-CD1 3.87Å; A3-V63 HydrophobicContact CB-CG2 4.01Å
4E93.3Very high90.3Very high3 Ų352.9 Ų52.91%0.01429%0.288CS..Hα-helixtrans-65-49.6179.9-177.5-174.5-159.700113S1 C2 F8 K10 G11 D40 S41S1-E4 PolarHBondContact N-OE2 3.14Å; S1-E4 WeakPolarHBondContact OG-CB 3.47Å; S1-E4 PolarHBondContact OG-N 3.12Å; C2-E4 VanDerWaalsContact C-N 3.27Å; C2-E4 PolarHBondContact O-N 3.21Å; E4-F8 WeakPolarHBondContact O-CA 3.25Å; E4-F8 WeakPolarHBondContact O-CB 3.24Å; E4-F8 PolarHBondContact O-N 2.77Å; E4-K10 HydrophobicContact CG-CB 4.36Å; E4-G11 VanDerWaalsContact CD-CA 3.45Å; E4-G11 WeakPolarHBondContact OE1-CA 3.49Å; E4-G11 WeakPolarHBondContact OE2-CA 3.46Å; E4-D40 HydrophobicContact CG-CB 4.15Å; E4-S41 VanDerWaalsContact OE1-CB 3.24Å; E4-S41 WeakPolarHBondContact OE1-CB 3.23Å; E4-S41 PolarHBondContact OE1-N 2.71Å; E4-S41 PolarHBondContact OE1-OG 2.95Å; E4-S41 PolarHBondContact OE2-N 2.98Å
5C94.1Very high90.2Very high4 Ų464 Ų643%0.02733%0.332CS..Hα-helixtrans-72.3-35-177.672.90000112.4S1 C2 E9 K10 F13 C17S1-C5 PolarHBondContact O-N 2.85Å; C2-C5 PolarHBondContact O-N 3.47Å; C5-E9 VanDerWaalsContact O-CA 3.26Å; C5-E9 WeakPolarHBondContact O-CA 3.09Å; C5-E9 PolarHBondContact O-N 3.32Å; C5-E9 VanDerWaalsContact O-N 3.07Å; C5-K10 VanDerWaalsContact CA-O 3.25Å; C5-K10 WeakPolarHBondContact CA-O 3.44Å; C5-K10 WeakPolarHBondContact CB-O 3.2Å; C5-F13 HydrophobicContact CB-CB 4.03Å; C5-C17 HydrophobicContact CB-CB 3.69Å; C5-C17 WeakPolarHBondContact CB-SG 3.14Å; C5-C17 WeakPolarHBondContact SG-CB 3.41Å; C5-C17 CovalentContact SG-SG 2.04Å; C5-C17 PolarHBondContact SG-SG 2.97Å
6L93.4Very high90.4Very high39 Ų3965.1 Ų65.120%0.20434%0.339CS..Hα-helixtrans-68.7-40.8179.8-73.3169.8000112C2 C17 L24 L26 I61C2-L6 VanDerWaalsContact O-CB 3.27Å; C2-L6 WeakPolarHBondContact O-CB 3.45Å; C2-L6 WeakPolarHBondContact O-CD1 3.26Å; C2-L6 VanDerWaalsContact O-CG 3.22Å; C2-L6 WeakPolarHBondContact O-CG 3.27Å; C2-L6 PolarHBondContact O-N 2.69Å; L6-C17 PolarHBondContact N-SG 3.39Å; L6-C17 VanDerWaalsContact N-SG 3.39Å; L6-L24 HydrophobicContact CD1-CB 3.97Å; L6-L24 HydrophobicContact CD1-CD2 4.3Å; L6-L26 HydrophobicContact CB-CD1 4.42Å; L6-I61 HydrophobicContact CD1-CG2 3.68Å
7K93.3Very high90.5Very high55 Ų5562.3 Ų62.324%0.23933%0.325CS..Hα-helixtrans-89.4-38.4-176.6-175.265.4175.5-174.10113.5A3 L26 V63 E65A3-K7 WeakPolarHBondContact O-CB 3.37Å; A3-K7 PolarHBondContact O-N 3.03Å; A3-K7 VanDerWaalsContact O-N 3.16Å; K7-L26 HydrophobicContact CB-CD1 4.45Å; K7-L26 HydrophobicContact CD-CD1 4.42Å; K7-L26 HydrophobicContact CD-CD2 4.21Å; K7-V63 HydrophobicContact CB-CB 3.99Å; K7-V63 HydrophobicContact CB-CG1 4.15Å; K7-V63 HydrophobicContact CB-CG2 3.96Å; K7-V63 HydrophobicContact CD-CB 4.29Å; K7-V63 HydrophobicContact CG-CB 3.96Å; K7-V63 HydrophobicContact CG-CG1 4.03Å; K7-V63 HydrophobicContact CG-CG2 4.48Å; K7-E65 IonicContact NZ-OE1 3.88Å; K7-E65 PolarHBondContact NZ-OE1 3.22Å
8F90.4Very high90.5Very high83 Ų8364.9 Ų64.936%0.36435%0.35SS..Hα-helixtrans-114.7-1.6-170-51-66.4000113.9E4 K10 V46 V63E4-F8 WeakPolarHBondContact O-CA 3.25Å; E4-F8 WeakPolarHBondContact O-CB 3.24Å; E4-F8 PolarHBondContact O-N 2.77Å; F8-K10 HydrophobicContact CB-CB 4.29Å; F8-K10 WeakPolarHBondContact O-CG 3.44Å; F8-K10 PolarHBondContact O-N 2.92Å; F8-K10 VanDerWaalsContact O-N 3.14Å; F8-V46 HydrophobicContact CE2-CG2 4.36Å; F8-V63 HydrophobicContact CE2-CG1 4.4Å; F8-V63 HydrophobicContact CZ-CG1 4.41Å
9E89.1Confident90.7Very high168 Ų16865.8 Ų65.879%0.78537%0.367SS*.SBendtrans55.529-176.4-56.5-174.8162.600113.2C5C5-E9 VanDerWaalsContact O-CA 3.26Å; C5-E9 WeakPolarHBondContact O-CA 3.09Å; C5-E9 PolarHBondContact O-N 3.32Å; C5-E9 VanDerWaalsContact O-N 3.07Å
10K89.6Confident90.9Very high105 Ų10564.2 Ų64.246%0.45736%0.363SS..  trans-123.3179.3-174.1-80.8-176.4179.8-171.20112.5E4 C5 F8 E42E4-K10 HydrophobicContact CG-CB 4.36Å; C5-K10 VanDerWaalsContact CA-O 3.25Å; C5-K10 WeakPolarHBondContact CA-O 3.44Å; C5-K10 WeakPolarHBondContact CB-O 3.2Å; F8-K10 HydrophobicContact CB-CB 4.29Å; F8-K10 WeakPolarHBondContact O-CG 3.44Å; F8-K10 PolarHBondContact O-N 2.92Å; F8-K10 VanDerWaalsContact O-N 3.14Å; K10-E42 IonicContact NZ-OE1 3.47Å
11G88Confident91Very high27 Ų2761.3 Ų61.328%0.27835%0.347SS..SBendtrans83.7-172.4174.700000113.9E4 F13 G14E4-G11 VanDerWaalsContact CD-CA 3.45Å; E4-G11 WeakPolarHBondContact OE1-CA 3.49Å; E4-G11 WeakPolarHBondContact OE2-CA 3.46Å; G11-F13 PolarHBondContact O-N 2.81Å; G11-G14 PolarHBondContact O-N 3.07Å
12P86.6Confident91.4Very high94 Ų9464.5 Ų64.561%0.6137%0.366SS*.THydrogen-bonded Turntrans-61.4-21.6-173.123.8-34.3000113.6
13F88.7Confident91.4Very high72 Ų7264.9 Ų64.932%0.31638%0.376SS..THydrogen-bonded Turntrans-105.89.6179.6-53.8-46.4000113.8C5 G11 K15 N16 C17 A20C5-F13 HydrophobicContact CB-CB 4.03Å; G11-F13 PolarHBondContact O-N 2.81Å; F13-K15 PolarHBondContact O-N 3.16Å; F13-N16 WeakPolarHBondContact CA-OD1 3.45Å; F13-N16 CarbonylContact O-C 3.56Å; F13-N16 PolarHBondContact O-N 3.39Å; F13-N16 PolarHBondContact O-OD1 3.03Å; F13-C17 VanDerWaalsContact O-CA 3.24Å; F13-C17 WeakPolarHBondContact O-CA 3.34Å; F13-C17 WeakPolarHBondContact O-CB 3.11Å; F13-C17 PolarHBondContact O-N 3.47Å; F13-A20 HydrophobicContact CB-CB 3.96Å; F13-A20 HydrophobicContact CD1-CB 3.53Å; F13-A20 HydrophobicContact CD2-CB 4.09Å; F13-A20 HydrophobicContact CE1-CB 3.99Å; F13-A20 HydrophobicContact CE2-CB 4.49Å; F13-A20 HydrophobicContact CG-CB 3.6Å; F13-A20 HydrophobicContact CZ-CB 4.45Å
14G84.7Confident91.5Very high31 Ų3167.2 Ų67.232%0.3239%0.388SS..THydrogen-bonded Turntrans-54.8-31-174.700000114.4G11G11-G14 PolarHBondContact O-N 3.07Å
15K88Confident91.6Very high219 Ų21973.5 Ų73.595%0.95242%0.418SS*.THydrogen-bonded Turntrans-91-17.3179.1-64.6-174.3179.9-178.40115F13F13-K15 PolarHBondContact O-N 3.16Å
16N93.5Very high91.7Very high82 Ų8275.6 Ų75.644%0.43943%0.428SS..THydrogen-bonded Turntrans-137.128.3-173.669.5-19.1000112.6F13 S18 A19 A20F13-N16 WeakPolarHBondContact CA-OD1 3.45Å; F13-N16 CarbonylContact O-C 3.56Å; F13-N16 PolarHBondContact O-N 3.39Å; F13-N16 PolarHBondContact O-OD1 3.03Å; N16-S18 VanDerWaalsContact C-N 3.32Å; N16-S18 PolarHBondContact O-N 2.55Å; N16-A19 PolarHBondContact O-N 2.83Å; N16-A20 PolarHBondContact O-N 2.92Å
17C93Very high91.8Very high17 Ų1774.7 Ų74.712%0.11543%0.425CS..Hα-helixtrans-54.1-45.7-170.5-169.80000112.2C5 L6 F13 A19 A20 C21C5-C17 HydrophobicContact CB-CB 3.69Å; C5-C17 WeakPolarHBondContact CB-SG 3.14Å; C5-C17 WeakPolarHBondContact SG-CB 3.41Å; C5-C17 CovalentContact SG-SG 2.04Å; C5-C17 PolarHBondContact SG-SG 2.97Å; L6-C17 PolarHBondContact N-SG 3.39Å; L6-C17 VanDerWaalsContact N-SG 3.39Å; F13-C17 VanDerWaalsContact O-CA 3.24Å; F13-C17 WeakPolarHBondContact O-CA 3.34Å; F13-C17 WeakPolarHBondContact O-CB 3.11Å; F13-C17 PolarHBondContact O-N 3.47Å; C17-A19 VanDerWaalsContact C-N 3.28Å; C17-A19 PolarHBondContact O-N 2.93Å; C17-A20 PolarHBondContact O-N 3.2Å; C17-C21 WeakPolarHBondContact O-CB 3.38Å; C17-C21 PolarHBondContact O-N 3.29Å
18S90.5Very high91.9Very high110 Ų11078.7 Ų78.777%0.76945%0.449SS*.Hα-helixtrans-63.3-31.3179.2-44.80000113.8N16N16-S18 VanDerWaalsContact C-N 3.32Å; N16-S18 PolarHBondContact O-N 2.55Å
19A93.8Very high92.1Very high81 Ų8180.2 Ų80.267%0.66946%0.461SS*.Hα-helixtrans-83-33.7177.400000112N16 C17N16-A19 PolarHBondContact O-N 2.83Å; C17-A19 VanDerWaalsContact C-N 3.28Å; C17-A19 PolarHBondContact O-N 2.93Å
20A93.9Very high92.3Very high34 Ų3476.9 Ų76.928%0.28145%0.454SS..Hα-helixtrans-77.9-26.5179.300000113.1F13 N16 C17 P22F13-A20 HydrophobicContact CB-CB 3.96Å; F13-A20 HydrophobicContact CD1-CB 3.53Å; F13-A20 HydrophobicContact CD2-CB 4.09Å; F13-A20 HydrophobicContact CE1-CB 3.99Å; F13-A20 HydrophobicContact CE2-CB 4.49Å; F13-A20 HydrophobicContact CG-CB 3.6Å; F13-A20 HydrophobicContact CZ-CB 4.45Å; N16-A20 PolarHBondContact O-N 2.92Å; C17-A20 PolarHBondContact O-N 3.2Å; A20-P22 VanDerWaalsContact O-CD 3.28Å; A20-P22 WeakPolarHBondContact O-CD 3.45Å
21C94.2Very high92.7Very high4 Ų472.9 Ų72.93%0.02744%0.438CS..SBendtrans-121.557-176.4-53.30000111.1C2 C17 L24C2-C21 WeakPolarHBondContact CA-SG 3.42Å; C2-C21 HydrophobicContact CB-CB 3.84Å; C2-C21 WeakPolarHBondContact CB-SG 3.39Å; C2-C21 WeakPolarHBondContact SG-CB 3.37Å; C2-C21 CovalentContact SG-SG 2.02Å; C2-C21 PolarHBondContact SG-SG 2.9Å; C17-C21 WeakPolarHBondContact O-CB 3.38Å; C17-C21 PolarHBondContact O-N 3.29Å; C21-L24 HydrophobicContact CB-CD1 4.47Å; C21-L24 PolarHBondContact O-N 2.91Å
22P94.2Very high93Very high93 Ų9380.1 Ų80.160%0.60446%0.462SS*.THydrogen-bonded Turntrans-63.7140.4-178.229.9-35.3000110.3A20 L24A20-P22 VanDerWaalsContact O-CD 3.28Å; A20-P22 WeakPolarHBondContact O-CD 3.45Å; P22-L24 PolarHBondContact O-N 2.88Å
23G93.8Very high93.3Very high41 Ų4178.2 Ų78.242%0.42346%0.46SS..THydrogen-bonded Turntrans77-4.5176.800000115.4R58 Y59G23-R58 WeakPolarHBondContact O-CA 3.24Å; G23-Y59 PolarHBondContact O-N 3.41Å
24L95.8Very high93.7Very high49 Ų4984 Ų8426%0.25748%0.48SS..EExtended strand (participates in β ladder)trans-89.4134.7168.2-8093.7000110.9C2 L6 C21 P22 L50 Y59 I61C2-L24 HydrophobicContact CB-CD2 4.37Å; L6-L24 HydrophobicContact CD1-CB 3.97Å; L6-L24 HydrophobicContact CD1-CD2 4.3Å; C21-L24 HydrophobicContact CB-CD1 4.47Å; C21-L24 PolarHBondContact O-N 2.91Å; P22-L24 PolarHBondContact O-N 2.88Å; L24-L50 HydrophobicContact CD2-CD2 4.15Å; L24-Y59 WeakPolarHBondContact CA-O 3.35Å; L24-I61 HydrophobicContact CD2-CB 4.18Å; L24-I61 HydrophobicContact CD2-CD1 4.1Å; L24-I61 HydrophobicContact CD2-CG2 4.12Å
25Q95.7Very high94.2Very high136 Ų13687.2 Ų87.264%0.63649%0.493SS*.EExtended strand (participates in β ladder)trans-127.8127.4173.3-178.2176-4.100109.9S27 Y59 L60 I61Q25-S27 PolarHBondContact O-N 3.19Å; Q25-Y59 PolarHBondContact N-O 3.04Å; Q25-L60 HydrophobicContact CB-CD2 4.05Å; Q25-L60 HydrophobicContact CG-CD2 4.23Å; Q25-L60 WeakPolarHBondContact O-CA 3.39Å; Q25-I61 PolarHBondContact O-N 3.45Å
26L95.8Very high94.5Very high48 Ų4878.2 Ų78.225%0.25146%0.457SS..EExtended strand (participates in β ladder)trans-67.2127.1177.3-173.772.7000109.8L6 K7 I61 V63L6-L26 HydrophobicContact CB-CD1 4.42Å; K7-L26 HydrophobicContact CB-CD1 4.45Å; K7-L26 HydrophobicContact CD-CD1 4.42Å; K7-L26 HydrophobicContact CD-CD2 4.21Å; L26-I61 CarbonylContact C-O 3.58Å; L26-I61 WeakPolarHBondContact CA-O 3.28Å; L26-I61 HydrophobicContact CD1-CG2 4.3Å; L26-V63 HydrophobicContact CD1-CG2 4.09Å
27S96.2Very high94.5Very high20 Ų2080.7 Ų80.714%0.1446%0.464CS..  trans-93.2135.4170.7-177.70000110Q25 N29 V31 I61Q25-S27 PolarHBondContact O-N 3.19Å; S27-N29 VanDerWaalsContact C-N 3.3Å; S27-N29 WeakPolarHBondContact CB-O 3.32Å; S27-N29 PolarHBondContact OG-N 3.34Å; S27-N29 PolarHBondContact OG-O 2.92Å; S27-V31 WeakPolarHBondContact OG-CG1 3.45Å; S27-I61 PolarHBondContact N-O 2.85Å
28N93.9Very high94.5Very high138 Ų13882.1 Ų82.174%0.73847%0.469SS*.SBendtrans-78.5-18.5172.5-65.7-26.6000112.5
29N94.4Very high94.6Very high116 Ų11684.7 Ų84.762%0.6246%0.462SS*.SBendtrans-113.6150.4-179.1-63.9-34.8000110.5S27 V31 Y62S27-N29 VanDerWaalsContact C-N 3.3Å; S27-N29 WeakPolarHBondContact CB-O 3.32Å; S27-N29 PolarHBondContact OG-N 3.34Å; S27-N29 PolarHBondContact OG-O 2.92Å; N29-V31 PolarHBondContact O-N 2.92Å; N29-Y62 VanDerWaalsContact O-CD2 3.23Å; N29-Y62 WeakPolarHBondContact O-CD2 3.43Å
30P95.1Very high94.5Very high97 Ų9781.4 Ų81.463%0.6343%0.433SS*.  trans-53131.1170.7-24.733.1000111.3Y62P30-Y62 HydrophobicContact CB-CD1 4.35Å; P30-Y62 HydrophobicContact CB-CE1 4.2Å; P30-Y62 HydrophobicContact CG-CE1 4.08Å; P30-Y62 HydrophobicContact CG-CE2 4.07Å
31V96.3Very high94.4Very high22 Ų2283.5 Ų83.513%0.13345%0.446CS..  trans-106.8164.7177.1-58.70000110.3S27 N29 T49 E51 L60S27-V31 WeakPolarHBondContact OG-CG1 3.45Å; N29-V31 PolarHBondContact O-N 2.92Å; V31-T49 HydrophobicContact CG2-CG2 3.99Å; V31-E51 HydrophobicContact CB-CB 3.81Å; V31-E51 HydrophobicContact CG2-CB 3.77Å; V31-L60 HydrophobicContact CG1-CB 4.13Å; V31-L60 HydrophobicContact CG1-CD1 4.27Å
32K94.2Very high94.2Very high178 Ų17888.6 Ų88.677%0.77447%0.469SS*.  trans-98.1134.8175.7-67.5-179.2-177.81760109.3E51K32-E51 PolarHBondContact N-OE2 3.23Å; K32-E51 WeakPolarHBondContact O-CB 3.45Å; K32-E51 WeakPolarHBondContact O-CG 3.36Å; K32-E51 VanDerWaalsContact O-OE2 3.13Å
33G94.6Very high94.1Very high55 Ų5586 Ų8657%0.56746%0.46SS*.SBendtrans156.4-145.4173.900000112.7T35 L50G33-T35 PolarHBondContact O-N 2.78Å; G33-L50 CarbonylContact C-O 3.53Å; G33-L50 WeakPolarHBondContact CA-O 3.42Å
34R95.8Very high93.9Very high193 Ų19386.5 Ų86.573%0.72846%0.456SS*.EExtended strand (participates in β ladder)trans-83.7117.7-174.8-173.6177.3-178.4173.70.9110.1T49 L50R34-T49 WeakPolarHBondContact O-CA 3.39Å; R34-L50 PolarHBondContact N-O 2.97Å; R34-L50 PolarHBondContact O-N 2.9Å
35T95.8Very high93.8Very high99 Ų9990.7 Ų90.761%0.60747%0.468SS*.EExtended strand (participates in β ladder)trans-81.8133.2170.2-55.40000110.5G33 Y48 T49G33-T35 PolarHBondContact O-N 2.78Å; T35-Y48 CarbonylContact C-O 3.56Å; T35-Y48 WeakPolarHBondContact CA-O 2.91Å; T35-T49 PolarHBondContact OG1-OG1 3.29Å
36C94.3Very high93.6Very high29 Ų2984.5 Ų84.520%0.19644%0.44CS..EExtended strand (participates in β ladder)trans-128.8157-179.1-67.90000109.3A47 Y48C36-A47 WeakPolarHBondContact O-CA 3.32Å; C36-Y48 HydrophobicContact CB-CD1 4.41Å; C36-Y48 HydrophobicContact CB-CD2 4.05Å; C36-Y48 HydrophobicContact CB-CE1 3.93Å; C36-Y48 HydrophobicContact CB-CE2 3.53Å; C36-Y48 HydrophobicContact CB-CG 4.47Å; C36-Y48 VanDerWaalsContact CB-CZ 3.48Å; C36-Y48 PolarHBondContact N-O 2.85Å; C36-Y48 PolarHBondContact O-N 3.47Å
37K93.8Very high93.6Very high135 Ų13583.7 Ų83.759%0.58744%0.44SS*.EExtended strand (participates in β ladder)trans-141130.4176.6-168176.2-178.3173.30109.5W45 V46 A47K37-W45 HydrophobicContact CD-CD2 4.39Å; K37-W45 HydrophobicContact CD-CE3 4.13Å; K37-W45 VanDerWaalsContact CE-CG 3.45Å; K37-W45 HydrophobicContact CG-CD2 4.41Å; K37-W45 HydrophobicContact CG-CE3 3.73Å; K37-W45 HydrophobicContact CG-CZ3 4.31Å; K37-V46 WeakPolarHBondContact CA-O 3.09Å; K37-A47 HydrophobicContact CG-CB 4.5Å
38E93.1Very high93.6Very high46 Ų4684.3 Ų84.322%0.21544%0.44CS..EExtended strand (participates in β ladder)trans-140.4166.3-178.172.6-169.4-177.600111.4S1 A3 V46 Y48S1-E38 VanDerWaalsContact CB-CD 3.5Å; S1-E38 WeakPolarHBondContact CB-OE1 3.23Å; S1-E38 PolarHBondContact OG-OE1 2.96Å; A3-E38 WeakPolarHBondContact CB-OE1 3.44Å; E38-V46 PolarHBondContact N-O 3.37Å; E38-V46 PolarHBondContact O-N 3.37Å; E38-Y48 HydrophobicContact CB-CE1 4.45Å; E38-Y48 VanDerWaalsContact CD-CE1 3.45Å; E38-Y48 HydrophobicContact CG-CE1 3.82Å; E38-Y48 PolarHBondContact OE2-OH 3.07Å
39R92.7Very high93.7Very high164 Ų16478.8 Ų78.862%0.61941%0.411SS*.EExtended strand (participates in β ladder)trans-93.9133.6172.1-62.5-142.4-62.2-154.4-1.4111G43 C44 W45R39-G43 WeakPolarHBondContact CD-O 3.34Å; R39-C44 CarbonylContact C-O 3.58Å; R39-C44 VanDerWaalsContact CA-O 3.23Å; R39-C44 WeakPolarHBondContact CA-O 3.22Å; R39-W45 HydrophobicContact CG-CD2 3.91Å; R39-W45 HydrophobicContact CG-CE3 3.62Å; R39-W45 HydrophobicContact CG-CH2 3.86Å; R39-W45 HydrophobicContact CG-CZ2 4.11Å; R39-W45 HydrophobicContact CG-CZ3 3.6Å
40D91.1Very high93.9Very high13 Ų1375.3 Ų75.37%0.0739%0.392CS..  trans-74.9178.517369.616.6000111.8E4 E42 G43 C44 V46 R67E4-D40 HydrophobicContact CG-CB 4.15Å; D40-E42 PolarHBondContact O-N 2.8Å; D40-E42 WeakPolarHBondContact OD1-CA 3.42Å; D40-E42 WeakPolarHBondContact OD1-CB 2.95Å; D40-E42 PolarHBondContact OD1-N 2.5Å; D40-G43 PolarHBondContact O-N 2.88Å; D40-G43 PolarHBondContact OD1-N 2.93Å; D40-C44 PolarHBondContact N-O 2.04Å; D40-C44 PolarHBondContact OD1-N 2.02Å; D40-C44 WeakPolarHBondContact OD2-CB 3.08Å; D40-V46 HydrophobicContact CB-CG2 3.83Å; D40-R67 IonicContact OD2-NH2 2.85Å; D40-R67 PolarHBondContact OD2-NH2 3.18Å
41S91.4Very high94Very high78 Ų7873.3 Ų73.355%0.54537%0.374SS..THydrogen-bonded Turntrans-68.4-16.4179.567.40000114E4 G43E4-S41 VanDerWaalsContact OE1-CB 3.24Å; E4-S41 WeakPolarHBondContact OE1-CB 3.23Å; E4-S41 PolarHBondContact OE1-N 2.71Å; E4-S41 PolarHBondContact OE1-OG 2.95Å; E4-S41 PolarHBondContact OE2-N 2.98Å; S41-G43 VanDerWaalsContact C-N 3.34Å
42E91.1Very high94Very high110 Ų11078.3 Ų78.351%0.51440%0.396SS..THydrogen-bonded Turntrans-88.7-4.7174.1-56.4-175.612000111.7K10 D40 C44 R67K10-E42 IonicContact NZ-OE1 3.47Å; D40-E42 PolarHBondContact O-N 2.8Å; D40-E42 WeakPolarHBondContact OD1-CA 3.42Å; D40-E42 WeakPolarHBondContact OD1-CB 2.95Å; D40-E42 PolarHBondContact OD1-N 2.5Å; E42-C44 VanDerWaalsContact C-N 3.34Å; E42-R67 IonicContact OE2-CZ 2.71Å; E42-R67 IonicContact OE2-NH2 3.86Å; E42-R67 PolarHBondContact OE2-NH2 2.86Å
43G90.8Very high94.1Very high39 Ų3973 Ų7340%0.40238%0.375SS..SBendtrans81.78.9-178.300000114.3R39 D40 S41R39-G43 WeakPolarHBondContact CD-O 3.34Å; D40-G43 PolarHBondContact O-N 2.88Å; D40-G43 PolarHBondContact OD1-N 2.93Å; S41-G43 VanDerWaalsContact C-N 3.34Å
44C90.9Very high94Very high51 Ų5178.1 Ų78.135%0.34539%0.389SS..  trans-82.5157.8173-64.10000110.8R39 D40 E42R39-C44 CarbonylContact C-O 3.58Å; R39-C44 VanDerWaalsContact CA-O 3.23Å; R39-C44 WeakPolarHBondContact CA-O 3.22Å; D40-C44 PolarHBondContact N-O 2.04Å; D40-C44 PolarHBondContact OD1-N 2.02Å; D40-C44 WeakPolarHBondContact OD2-CB 3.08Å; E42-C44 VanDerWaalsContact C-N 3.34Å
45W92.2Very high93.8Very high137 Ų13771.2 Ų71.252%0.51938%0.377SS..EExtended strand (participates in β ladder)trans-82.2136.4175.6-73.5110.7000111.3K37 R39K37-W45 HydrophobicContact CD-CD2 4.39Å; K37-W45 HydrophobicContact CD-CE3 4.13Å; K37-W45 VanDerWaalsContact CE-CG 3.45Å; K37-W45 HydrophobicContact CG-CD2 4.41Å; K37-W45 HydrophobicContact CG-CE3 3.73Å; K37-W45 HydrophobicContact CG-CZ3 4.31Å; R39-W45 HydrophobicContact CG-CD2 3.91Å; R39-W45 HydrophobicContact CG-CE3 3.62Å; R39-W45 HydrophobicContact CG-CH2 3.86Å; R39-W45 HydrophobicContact CG-CZ2 4.11Å; R39-W45 HydrophobicContact CG-CZ3 3.6Å
46V92.9Very high93.5Very high7 Ų774.3 Ų74.34%0.04239%0.387CS..EExtended strand (participates in β ladder)trans-120.9125.8171.7179.30000108.2A3 F8 K37 E38 D40 V63A3-V46 HydrophobicContact CB-CG1 4.11Å; F8-V46 HydrophobicContact CE2-CG2 4.36Å; K37-V46 WeakPolarHBondContact CA-O 3.09Å; E38-V46 PolarHBondContact N-O 3.37Å; E38-V46 PolarHBondContact O-N 3.37Å; D40-V46 HydrophobicContact CB-CG2 3.83Å; V46-V63 HydrophobicContact CG1-CG1 3.67Å
47A94.9Very high93.2Very high31 Ų3177.6 Ų77.626%0.25640%0.402SS..EExtended strand (participates in β ladder)trans-105.7138.4173.900000109.7C36 K37 D64C36-A47 WeakPolarHBondContact O-CA 3.32Å; K37-A47 HydrophobicContact CG-CB 4.5Å; A47-D64 HydrophobicContact CB-CB 4.3Å; A47-D64 PolarHBondContact O-N 2.89Å
48Y95.8Very high93.3Very high33 Ų3378.3 Ų78.313%0.12940%0.401CS..EExtended strand (participates in β ladder)trans-151159179.561.4-88.1000111.5A3 T35 C36 E38 L50 I61 Y62A3-Y48 HydrophobicContact CB-CD1 3.71Å; A3-Y48 HydrophobicContact CB-CE1 4.03Å; A3-Y48 HydrophobicContact CB-CG 4.11Å; T35-Y48 CarbonylContact C-O 3.56Å; T35-Y48 WeakPolarHBondContact CA-O 2.91Å; C36-Y48 HydrophobicContact CB-CD1 4.41Å; C36-Y48 HydrophobicContact CB-CD2 4.05Å; C36-Y48 HydrophobicContact CB-CE1 3.93Å; C36-Y48 HydrophobicContact CB-CE2 3.53Å; C36-Y48 HydrophobicContact CB-CG 4.47Å; C36-Y48 VanDerWaalsContact CB-CZ 3.48Å; C36-Y48 PolarHBondContact N-O 2.85Å; C36-Y48 PolarHBondContact O-N 3.47Å; E38-Y48 HydrophobicContact CB-CE1 4.45Å; E38-Y48 VanDerWaalsContact CD-CE1 3.45Å; E38-Y48 HydrophobicContact CG-CE1 3.82Å; E38-Y48 PolarHBondContact OE2-OH 3.07Å; Y48-L50 HydrophobicContact CD2-CD2 4.13Å; Y48-L50 HydrophobicContact CD2-CG 3.99Å; Y48-L50 HydrophobicContact CE2-CD1 4.02Å; Y48-L50 HydrophobicContact CE2-CD2 4.16Å; Y48-L50 HydrophobicContact CE2-CG 3.87Å; Y48-I61 HydrophobicContact CD2-CD1 3.67Å; Y48-I61 HydrophobicContact CD2-CG1 3.94Å; Y48-I61 HydrophobicContact CE2-CD1 4.18Å; Y48-I61 HydrophobicContact CG-CD1 4.02Å; Y48-I61 HydrophobicContact CG-CG1 4.32Å; Y48-Y62 CarbonylContact C-O 3.42Å; Y48-Y62 WeakPolarHBondContact CA-O 3.02Å; Y48-Y62 WeakPolarHBondContact CB-O 3.32Å
49T97.5Very high93.5Very high21 Ų2179.5 Ų79.513%0.12941%0.405CS..EExtended strand (participates in β ladder)trans-118.3133.1175.6-55.90000109.8V31 R34 T35 I61 Y62V31-T49 HydrophobicContact CG2-CG2 3.99Å; R34-T49 WeakPolarHBondContact O-CA 3.39Å; T35-T49 PolarHBondContact OG1-OG1 3.29Å; T49-I61 WeakPolarHBondContact O-CA 3.47Å; T49-Y62 PolarHBondContact N-O 3.27Å; T49-Y62 PolarHBondContact O-N 2.89Å
50L96.9Very high93.7Very high44 Ų4473.3 Ų73.323%0.2338%0.384CS..EExtended strand (participates in β ladder)trans-104.5127.6174-64.8176.9000110.7L24 G33 R34 Y48 L60 I61L24-L50 HydrophobicContact CD2-CD2 4.15Å; G33-L50 CarbonylContact C-O 3.53Å; G33-L50 WeakPolarHBondContact CA-O 3.42Å; R34-L50 PolarHBondContact N-O 2.97Å; R34-L50 PolarHBondContact O-N 2.9Å; Y48-L50 HydrophobicContact CD2-CD2 4.13Å; Y48-L50 HydrophobicContact CD2-CG 3.99Å; Y48-L50 HydrophobicContact CE2-CD1 4.02Å; Y48-L50 HydrophobicContact CE2-CD2 4.16Å; Y48-L50 HydrophobicContact CE2-CG 3.87Å; L50-L60 WeakPolarHBondContact CA-O 3.34Å; L50-I61 HydrophobicContact CD2-CB 3.69Å; L50-I61 HydrophobicContact CD2-CD1 3.97Å; L50-I61 HydrophobicContact CD2-CG1 3.76Å
51E97.4Very high94Very high54 Ų5472.8 Ų72.825%0.25238%0.381SS..EExtended strand (participates in β ladder)trans-114.9115.8171.4-175.1179.197.200109.3V31 K32 Q53 Y59 L60V31-E51 HydrophobicContact CB-CB 3.81Å; V31-E51 HydrophobicContact CG2-CB 3.77Å; K32-E51 PolarHBondContact N-OE2 3.23Å; K32-E51 WeakPolarHBondContact O-CB 3.45Å; K32-E51 WeakPolarHBondContact O-CG 3.36Å; K32-E51 VanDerWaalsContact O-OE2 3.13Å; E51-Q53 PolarHBondContact O-NE2 2.92Å; E51-Q53 PolarHBondContact OE1-NE2 3.24Å; E51-Y59 CarbonylContact O-C 3.48Å; E51-Y59 WeakPolarHBondContact O-CA 3.32Å; E51-L60 HydrophobicContact CB-CB 4.34Å; E51-L60 PolarHBondContact N-O 2.96Å; E51-L60 PolarHBondContact O-N 3.05Å
52Q96.1Very high94.3Very high127 Ų12771.1 Ų71.159%0.59336%0.363SS*.EExtended strand (participates in β ladder)trans-68.5134.1175.4-171.6172.429.200110.1Y59Q52-Y59 HydrophobicContact CB-CD1 3.87Å; Q52-Y59 HydrophobicContact CB-CE1 3.68Å; Q52-Y59 HydrophobicContact CG-CD1 4.17Å; Q52-Y59 HydrophobicContact CG-CE1 3.7Å
53Q96.3Very high94.5Very high68 Ų6866 Ų6632%0.31834%0.339SS..PPolyproline II helixtrans-102.8165177.3-57.9-59.1-60.600110.9E51 G55 R58 L60E51-Q53 PolarHBondContact O-NE2 2.92Å; E51-Q53 PolarHBondContact OE1-NE2 3.24Å; Q53-G55 PolarHBondContact O-N 2.83Å; Q53-R58 HydrophobicContact CB-CB 4.04Å; Q53-R58 PolarHBondContact N-O 3.04Å; Q53-L60 HydrophobicContact CG-CG 3.95Å
54D93.6Very high94.5Very high162 Ų16267.4 Ų67.487%0.86634%0.337SS*.SBendtrans-60.6124.7173.4-69.9-38.1000111.3
55G91.1Very high93.7Very high47 Ų4771.5 Ų71.549%0.48535%0.351SS..SBendtrans118.4171.5-176.900000113Q53Q53-G55 PolarHBondContact O-N 2.83Å
56M88.8Confident92.5Very high165 Ų16569.4 Ų69.481%0.81336%0.358SS*.THydrogen-bonded Turntrans-78.7130.7179.3-168171.2-179.300110.2R58M56-R58 VanDerWaalsContact C-N 3.27Å; M56-R58 PolarHBondContact O-N 3.03Å
57D89.7Confident90.7Very high97 Ų9778.4 Ų78.452%0.51939%0.391SS..THydrogen-bonded Turntrans54.134173-57.1-35.9000115.8
58R95.9Very high90.5Very high151 Ų15180.8 Ų80.857%0.5740%0.397SS*.  trans-106.8127.9174.4-69.1-178.1179156.2-1.8111.3G23 Q53 M56G23-R58 WeakPolarHBondContact O-CA 3.24Å; Q53-R58 HydrophobicContact CB-CB 4.04Å; Q53-R58 PolarHBondContact N-O 3.04Å; M56-R58 VanDerWaalsContact C-N 3.27Å; M56-R58 PolarHBondContact O-N 3.03Å
59Y96.8Very high90.2Very high71 Ų7183.3 Ų83.328%0.27841%0.412SS..EExtended strand (participates in β ladder)trans-139.9138.9-178.4-59.3-91.4000111.2G23 L24 Q25 E51 Q52G23-Y59 PolarHBondContact O-N 3.41Å; L24-Y59 WeakPolarHBondContact CA-O 3.35Å; Q25-Y59 PolarHBondContact N-O 3.04Å; E51-Y59 CarbonylContact O-C 3.48Å; E51-Y59 WeakPolarHBondContact O-CA 3.32Å; Q52-Y59 HydrophobicContact CB-CD1 3.87Å; Q52-Y59 HydrophobicContact CB-CE1 3.68Å; Q52-Y59 HydrophobicContact CG-CD1 4.17Å; Q52-Y59 HydrophobicContact CG-CE1 3.7Å
60L97.4Very high89.8Confident34 Ų3486.7 Ų86.718%0.17843%0.427CS..EExtended strand (participates in β ladder)trans-85.4136.8158.8-68.1177.4000108.8Q25 V31 L50 E51 Q53Q25-L60 HydrophobicContact CB-CD2 4.05Å; Q25-L60 HydrophobicContact CG-CD2 4.23Å; Q25-L60 WeakPolarHBondContact O-CA 3.39Å; V31-L60 HydrophobicContact CG1-CB 4.13Å; V31-L60 HydrophobicContact CG1-CD1 4.27Å; L50-L60 WeakPolarHBondContact CA-O 3.34Å; E51-L60 HydrophobicContact CB-CB 4.34Å; E51-L60 PolarHBondContact N-O 2.96Å; E51-L60 PolarHBondContact O-N 3.05Å; Q53-L60 HydrophobicContact CG-CG 3.95Å
61I97Very high89.4Confident2 Ų289.2 Ų89.21%0.0144%0.439CS..EExtended strand (participates in β ladder)trans-117.6126.2172.7-175.7171.4000109.6A3 L6 L24 Q25 L26 S27 Y48 T49 L50 V63A3-I61 HydrophobicContact CB-CD1 3.87Å; L6-I61 HydrophobicContact CD1-CG2 3.68Å; L24-I61 HydrophobicContact CD2-CB 4.18Å; L24-I61 HydrophobicContact CD2-CD1 4.1Å; L24-I61 HydrophobicContact CD2-CG2 4.12Å; Q25-I61 PolarHBondContact O-N 3.45Å; L26-I61 CarbonylContact C-O 3.58Å; L26-I61 WeakPolarHBondContact CA-O 3.28Å; L26-I61 HydrophobicContact CD1-CG2 4.3Å; S27-I61 PolarHBondContact N-O 2.85Å; Y48-I61 HydrophobicContact CD2-CD1 3.67Å; Y48-I61 HydrophobicContact CD2-CG1 3.94Å; Y48-I61 HydrophobicContact CE2-CD1 4.18Å; Y48-I61 HydrophobicContact CG-CD1 4.02Å; Y48-I61 HydrophobicContact CG-CG1 4.32Å; T49-I61 WeakPolarHBondContact O-CA 3.47Å; L50-I61 HydrophobicContact CD2-CB 3.69Å; L50-I61 HydrophobicContact CD2-CD1 3.97Å; L50-I61 HydrophobicContact CD2-CG1 3.76Å; I61-V63 HydrophobicContact CD1-CG2 4.29Å; I61-V63 HydrophobicContact CG1-CG2 4.22Å
62Y97.1Very high88.9Confident43 Ų4391.4 Ų91.417%0.16945%0.45CS..EExtended strand (participates in β ladder)trans-109.5123168.3174.1-101.6000108.7N29 P30 Y48 T49N29-Y62 VanDerWaalsContact O-CD2 3.23Å; N29-Y62 WeakPolarHBondContact O-CD2 3.43Å; P30-Y62 HydrophobicContact CB-CD1 4.35Å; P30-Y62 HydrophobicContact CB-CE1 4.2Å; P30-Y62 HydrophobicContact CG-CE1 4.08Å; P30-Y62 HydrophobicContact CG-CE2 4.07Å; Y48-Y62 CarbonylContact C-O 3.42Å; Y48-Y62 WeakPolarHBondContact CA-O 3.02Å; Y48-Y62 WeakPolarHBondContact CB-O 3.32Å; T49-Y62 PolarHBondContact N-O 3.27Å; T49-Y62 PolarHBondContact O-N 2.89Å
63V95.4Very high88.4Confident1 Ų189.1 Ų89.11%0.00644%0.441CS..EExtended strand (participates in β ladder)trans-99.9126177-177.30000108.5A3 K7 F8 L26 V46 I61A3-V63 HydrophobicContact CB-CG2 4.01Å; K7-V63 HydrophobicContact CB-CB 3.99Å; K7-V63 HydrophobicContact CB-CG1 4.15Å; K7-V63 HydrophobicContact CB-CG2 3.96Å; K7-V63 HydrophobicContact CD-CB 4.29Å; K7-V63 HydrophobicContact CG-CB 3.96Å; K7-V63 HydrophobicContact CG-CG1 4.03Å; K7-V63 HydrophobicContact CG-CG2 4.48Å; F8-V63 HydrophobicContact CE2-CG1 4.4Å; F8-V63 HydrophobicContact CZ-CG1 4.41Å; L26-V63 HydrophobicContact CD1-CG2 4.09Å; V46-V63 HydrophobicContact CG1-CG1 3.67Å; I61-V63 HydrophobicContact CD1-CG2 4.29Å; I61-V63 HydrophobicContact CG1-CG2 4.22Å
64D90.9Very high87.8Confident70 Ų7090.6 Ų90.637%0.37445%0.45SS..  trans-67.3131.8178.9-159.1-31.9000110.2A47 S66A47-D64 HydrophobicContact CB-CB 4.3Å; A47-D64 PolarHBondContact O-N 2.89Å; D64-S66 PolarHBondContact OD1-N 2.96Å; D64-S66 PolarHBondContact OD1-OG 3.19Å; D64-S66 VanDerWaalsContact OD1-OG 3.12Å
65E74.9Confident87.4Confident136 Ų13685.1 Ų85.164%0.63642%0.418SS*.SBendtrans-82.5-15.1-178.1-61.5-170.3159.200112.5K7 R67K7-E65 IonicContact NZ-OE1 3.88Å; K7-E65 PolarHBondContact NZ-OE1 3.22Å; E65-R67 VanDerWaalsContact C-N 3.35Å; E65-R67 PolarHBondContact O-N 3.4Å
66S66.1Low87.1Confident94 Ų9488.3 Ų88.366%0.65741%0.412SS*.  trans-75.190.8173.869.50000109.7D64D64-S66 PolarHBondContact OD1-N 2.96Å; D64-S66 PolarHBondContact OD1-OG 3.19Å; D64-S66 VanDerWaalsContact OD1-OG 3.12Å
67R55.1Low86.9Confident195 Ų19581.3 Ų81.374%0.73638%0.376SS*.  trans-78.80173.6-157.7-178.1177.2-163.55.1111.3D40 E42 E65D40-R67 IonicContact OD2-NH2 2.85Å; D40-R67 PolarHBondContact OD2-NH2 3.18Å; E42-R67 IonicContact OE2-CZ 2.71Å; E42-R67 IonicContact OE2-NH2 3.86Å; E42-R67 PolarHBondContact OE2-NH2 2.86Å; E65-R67 VanDerWaalsContact C-N 3.35Å; E65-R67 PolarHBondContact O-N 3.4Å

Retrieved 67 of 67 residues in 191.2 ms (Link to these results)