A0A077ZLR3_TRITR Loading...

WAP domain containing protein, SLPI-like

AlphaFold DB , UniProt , Accession A0A077ZLR3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 159 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
1M41.1Very low44.6Very low242 Ų242130.7 Ų130.7100%1.19273%0.729SS**  0103.60-55.1172.3-159.700105.8G3M1-G3 PolarHBondContact O-N 2.72Å
2T38.7Very low47Very low139 Ų139123.3 Ų123.385%0.85368%0.683SS**  trans-87.286.9-166.5-41.20000109.6
3G40.1Very low48.7Very low65 Ų65116.9 Ų116.967%0.6766%0.656SS**  trans-99.98516600000108.5M1 V5M1-G3 PolarHBondContact O-N 2.72Å; G3-V5 PolarHBondContact O-N 2.63Å
4Q41.9Very low50.5Low164 Ų164108.6 Ų108.677%0.76661%0.609SS**  trans-68.692.2162.9-78.4-178.4-29.100106.3R6Q4-R6 PolarHBondContact O-N 2.96Å
5V40Very low52.7Low125 Ų125103.4 Ų103.476%0.75858%0.58SS**  trans-58.694.8153.8179.60000104.1G3 C7G3-V5 PolarHBondContact O-N 2.63Å; V5-C7 PolarHBondContact O-N 3.01Å
6R36.8Very low54.8Low222 Ų22298.9 Ų98.984%0.83856%0.556SS**  trans-64.595.6161.2-76.9-176.1151-155.2-7.4103.5Q4 A8Q4-R6 PolarHBondContact O-N 2.96Å; R6-A8 PolarHBondContact O-N 3.36Å
7C40.9Very low56.5Low89 Ų8995.4 Ų95.460%0.60154%0.539SS*.  trans-47.8115.3161.6-60.80000104.4V5 P9V5-C7 PolarHBondContact O-N 3.01Å; C7-P9 VanDerWaalsContact O-N 3.16Å
8A50.2Low57.8Low78 Ų7897.2 Ų97.265%0.64555%0.546SS*.  trans-48.8129.8166.700000105.3R6 F10R6-A8 PolarHBondContact O-N 3.36Å; A8-F10 PolarHBondContact O-N 2.7Å
9P49.4Very low58.8Low108 Ų10895.4 Ų95.470%0.70154%0.539SS*.  trans-49.4122.5-175.720.1-31.6000107.3C7 V11C7-P9 VanDerWaalsContact O-N 3.16Å; P9-V11 WeakPolarHBondContact O-CG2 3.4Å; P9-V11 PolarHBondContact O-N 2.63Å
10F47.8Very low59.8Low152 Ų15296 Ų9667%0.66756%0.556SS**  trans-48.9107.1-176.2-86.6-92000108.3A8A8-F10 PolarHBondContact O-N 2.7Å
11V64Low60.8Low54 Ų5497 Ų9733%0.32756%0.556SS.*  trans-85.3120.2-178.41760000105.2P9 A13 L70P9-V11 WeakPolarHBondContact O-CG2 3.4Å; P9-V11 PolarHBondContact O-N 2.63Å; V11-A13 PolarHBondContact O-N 3.26Å; V11-L70 WeakPolarHBondContact O-CD1 3.43Å
12K73.1Confident62.8Low42 Ų4290.5 Ų90.518%0.18353%0.532CS..  trans-53.3144.7177.5-69.7176.8-176.2171.60110.3G14 D34 C37 D39 K41 K42K12-G14 PolarHBondContact O-N 3.18Å; K12-D34 HydrophobicContact CB-CB 4.41Å; K12-D34 HydrophobicContact CD-CB 4.14Å; K12-D34 VanDerWaalsContact CE-O 3.28Å; K12-D34 WeakPolarHBondContact CE-O 3.43Å; K12-D34 HydrophobicContact CG-CB 4.13Å; K12-D34 PolarHBondContact N-OD2 3.15Å; K12-D34 PolarHBondContact NZ-O 3.44Å; K12-C37 PolarHBondContact NZ-O 2.78Å; K12-D39 WeakPolarHBondContact CD-O 3.23Å; K12-D39 VanDerWaalsContact CE-O 3.23Å; K12-D39 WeakPolarHBondContact CE-O 3.43Å; K12-D39 PolarHBondContact NZ-O 3.36Å; K12-K41 WeakPolarHBondContact CD-O 3.16Å; K12-K41 PolarHBondContact NZ-O 3.16Å; K12-K42 HydrophobicContact CB-CG 4.27Å; K12-K42 PolarHBondContact O-NZ 3.24Å
13A69.8Low64.9Low40 Ų4088.3 Ų88.333%0.33152%0.52SS..SBendtrans-45.2138.4-178.100000113V11 P55 D69V11-A13 PolarHBondContact O-N 3.26Å; A13-P55 VanDerWaalsContact O-CG 3.31Å; A13-P55 WeakPolarHBondContact O-CG 3.4Å; A13-D69 WeakPolarHBondContact CA-O 3.28Å; A13-D69 WeakPolarHBondContact CB-O 3.13Å
14G73.5Confident67.2Low0 Ų089.7 Ų89.70%051%0.512CS..SBendtrans87.8174.3170.600000117.5K12 K42 T71K12-G14 PolarHBondContact O-N 3.18Å; G14-K42 WeakPolarHBondContact O-CD 3.36Å; G14-K42 WeakPolarHBondContact O-CE 3.39Å; G14-K42 PolarHBondContact O-NZ 2.62Å; G14-K42 VanDerWaalsContact O-NZ 3.12Å; G14-T71 VanDerWaalsContact C-CG2 3.47Å; G14-T71 WeakPolarHBondContact O-CG2 2.97Å
15L83Confident69.2Low31 Ų3188 Ų8816%0.16252%0.515CS..  trans-104.5149.6-171.1-70.1165.1000112P55 D56 R59 T71 D87 V88L15-P55 CarbonylContact O-C 3.57Å; L15-P55 VanDerWaalsContact O-CA 3.27Å; L15-P55 WeakPolarHBondContact O-CA 3.02Å; L15-D56 PolarHBondContact O-N 2.94Å; L15-R59 HydrophobicContact CB-CB 3.98Å; L15-R59 HydrophobicContact CD1-CB 4Å; L15-T71 HydrophobicContact CD2-CG2 3.6Å; L15-T71 HydrophobicContact CG-CG2 3.85Å; L15-D87 HydrophobicContact CD1-CB 4.25Å; L15-V88 HydrophobicContact CD1-CG1 3.92Å; L15-V88 HydrophobicContact CG-CG1 4.15Å
16C86.7Confident71.4Confident31 Ų3189.1 Ų89.121%0.20952%0.517CS..PPolyproline II helixtrans-62.6144.2171.8-75.20000111.1L18 C44C16-L18 PolarHBondContact O-N 3.12Å; C16-C44 WeakPolarHBondContact CA-SG 3.27Å; C16-C44 HydrophobicContact CB-CB 3.65Å; C16-C44 WeakPolarHBondContact CB-SG 3.46Å; C16-C44 WeakPolarHBondContact SG-CA 3.31Å; C16-C44 WeakPolarHBondContact SG-CB 3.28Å; C16-C44 CovalentContact SG-SG 2.03Å; C16-C44 PolarHBondContact SG-SG 3Å
17P84.4Confident73.7Confident39 Ų3980 Ų8025%0.25349%0.491SS..PPolyproline II helixtrans-53.8137.4164.5-22.733.1000110L53 L54 D56P17-L53 HydrophobicContact CG-CB 4.47Å; P17-L53 HydrophobicContact CG-CD1 4.34Å; P17-L54 WeakPolarHBondContact CD-O 3.19Å; P17-L54 WeakPolarHBondContact CG-O 3.36Å; P17-D56 HydrophobicContact CG-CB 4.45Å
18L79.1Confident76Confident128 Ų12881.6 Ų81.667%0.6749%0.492SS*.PPolyproline II helixtrans-65.3130.1175.2-71.1177.8000109.5C16 A20C16-L18 PolarHBondContact O-N 3.12Å; L18-A20 PolarHBondContact O-N 3.23Å
19P77.7Confident78.1Confident63 Ų6380.6 Ų80.641%0.40948%0.481SS..PPolyproline II helixtrans-67.8132.3175.528.4-33.2000109.5Q21P19-Q21 PolarHBondContact O-N 3.2Å
20A77.1Confident80.2Confident108 Ų10885.1 Ų85.189%0.89348%0.484SS*.SBendtrans-63.9-21.5177.800000113.2L18L18-A20 PolarHBondContact O-N 3.23Å
21Q81.7Confident82.4Confident117 Ų11778 Ų7855%0.54745%0.453SS..SBendtrans-144.3154-175.6-69.3-179.1-1300110.8P19 L47P19-Q21 PolarHBondContact O-N 3.2Å; Q21-L47 HydrophobicContact CB-CD1 3.9Å
22P83.3Confident83.7Confident106 Ų10681.5 Ų81.569%0.68847%0.47SS*.PPolyproline II helixtrans-58.8150.1172.2-21.332.6000112L47P22-L47 WeakPolarHBondContact O-CD1 2.98Å
23P83.3Confident84.4Confident93 Ų9383 Ų8360%0.60448%0.48SS*.PPolyproline II helixtrans-63.9140.3-179.926.3-33.6000112.2
24L86.7Confident85.2Confident94 Ų9482 Ų8249%0.49247%0.469SS..PPolyproline II helixtrans-69.6144.7170.9-67.8172.9000110.4N26 G27 L47 I48L24-N26 PolarHBondContact O-N 2.78Å; L24-N26 VanDerWaalsContact O-N 3.15Å; L24-G27 PolarHBondContact O-N 3.22Å; L24-G27 VanDerWaalsContact O-N 3.1Å; L24-L47 WeakPolarHBondContact CB-O 3.44Å; L24-L47 HydrophobicContact CD1-CD1 4.34Å; L24-L47 HydrophobicContact CD1-CG 4.1Å; L24-L47 HydrophobicContact CD2-CD1 4.31Å; L24-L47 HydrophobicContact CG-CD1 3.75Å; L24-L47 HydrophobicContact CG-CG 4.02Å; L24-L47 PolarHBondContact N-O 3.47Å; L24-I48 HydrophobicContact CD1-CG2 4.11Å
25P84.2Confident85.9Confident128 Ų12888.6 Ų88.683%0.83150%0.5SS*.THydrogen-bonded Turntrans-60.5-28.2-176.521-31.7000113.8
26N86.6Confident86.3Confident149 Ų14990.9 Ų90.980%0.79751%0.512SS*.THydrogen-bonded Turntrans-102.227.1-179.6-62.4-3.1000112.6L24 I28L24-N26 PolarHBondContact O-N 2.78Å; L24-N26 VanDerWaalsContact O-N 3.15Å; N26-I28 PolarHBondContact O-N 2.03Å
27G86Confident86.5Confident29 Ų2989.7 Ų89.730%0.29950%0.504SS..PPolyproline II helixtrans-61.8131.617600000111.8L24L24-G27 PolarHBondContact O-N 3.22Å; L24-G27 VanDerWaalsContact O-N 3.1Å
28I88.9Confident86.8Confident123 Ų12393.6 Ų93.663%0.63152%0.523SS*.PPolyproline II helixtrans-98.3119.8176.1-60.2171.4000108.2N26 I48 R51N26-I28 PolarHBondContact O-N 2.03Å; I28-I48 PolarHBondContact N-O 2.73Å; I28-R51 VanDerWaalsContact O-CZ 3.3Å; I28-R51 PolarHBondContact O-NH2 2.86Å
29S93.4Very high87.1Confident58 Ų5893.5 Ų93.541%0.40652%0.523SS..PPolyproline II helixtrans-80.3132.9174.7-64.10000111.2R50S29-R50 PolarHBondContact OG-N 2.83Å; S29-R50 VanDerWaalsContact OG-N 3.12Å
30R93.5Very high87.3Confident203 Ų20393.3 Ų93.377%0.76653%0.527SS*.SBendtrans-100.2-0.2172.4-86.7-170.8-158.1132.43.2113.9R50R30-R50 PolarHBondContact N-O 3.25Å
31C94.4Very high87.9Confident2 Ų291.1 Ų91.11%0.01450%0.497CS..  trans-150.2157.3174.360.20000107.5D36 C43C31-D36 HydrophobicContact CB-CB 3.76Å; C31-C43 HydrophobicContact CB-CB 3.69Å; C31-C43 WeakPolarHBondContact CB-SG 2.98Å; C31-C43 PolarHBondContact O-SG 2.92Å; C31-C43 WeakPolarHBondContact SG-CA 3.41Å; C31-C43 WeakPolarHBondContact SG-CB 3.39Å; C31-C43 CovalentContact SG-SG 2.03Å; C31-C43 PolarHBondContact SG-SG 2.85Å
32N90.9Very high88.3Confident128 Ų12886 Ų8668%0.68447%0.473SS*.SBendtrans-112.3-35.9174.5-61-68.2000111.1D36N32-D36 WeakPolarHBondContact CA-OD2 3.27Å; N32-D36 WeakPolarHBondContact CB-OD2 2.99Å; N32-D36 PolarHBondContact N-OD2 3.42Å
33N88.1Confident88.7Confident74 Ų7481 Ų8140%0.39644%0.44SS..SBendtrans-142.1170.7-17959.773.5000110.8E35 D36 C43N33-E35 PolarHBondContact O-N 3.13Å; N33-E35 VanDerWaalsContact OD1-CB 3.23Å; N33-E35 WeakPolarHBondContact OD1-CB 3.24Å; N33-E35 PolarHBondContact OD1-N 3.48Å; N33-E35 VanDerWaalsContact OD1-N 3.09Å; N33-D36 PolarHBondContact N-OD2 3.24Å; N33-D36 PolarHBondContact ND2-OD2 2.87Å; N33-D36 WeakPolarHBondContact O-CB 3.36Å; N33-D36 PolarHBondContact O-N 3.09Å; N33-D36 VanDerWaalsContact O-N 3.16Å; N33-D36 PolarHBondContact OD1-N 3.44Å; N33-C43 WeakPolarHBondContact O-CB 3.33Å
34D87.4Confident89Confident19 Ų1976.5 Ų76.510%0.10241%0.412CS..G310 helixtrans-63.8-22.8-175-70.6-5.3000113.4K12 D36 C37 K42 C43K12-D34 HydrophobicContact CB-CB 4.41Å; K12-D34 HydrophobicContact CD-CB 4.14Å; K12-D34 VanDerWaalsContact CE-O 3.28Å; K12-D34 WeakPolarHBondContact CE-O 3.43Å; K12-D34 HydrophobicContact CG-CB 4.13Å; K12-D34 PolarHBondContact N-OD2 3.15Å; K12-D34 PolarHBondContact NZ-O 3.44Å; D34-D36 VanDerWaalsContact C-N 3.31Å; D34-C37 WeakPolarHBondContact O-CB 3.25Å; D34-C37 PolarHBondContact O-N 2.03Å; D34-K42 WeakPolarHBondContact OD1-CA 3.44Å; D34-K42 WeakPolarHBondContact OD1-CB 3.32Å; D34-K42 IonicContact OD2-NZ 3.97Å; D34-K42 PolarHBondContact OD2-NZ 3.29Å; D34-C43 PolarHBondContact OD1-N 3.1Å
35E86.7Confident89.2Confident137 Ų13774.7 Ų74.764%0.6441%0.405SS*.G310 helixtrans-74.2-21.7177.9-56.5-66.810400112.6N33 C37N33-E35 PolarHBondContact O-N 3.13Å; N33-E35 VanDerWaalsContact OD1-CB 3.23Å; N33-E35 WeakPolarHBondContact OD1-CB 3.24Å; N33-E35 PolarHBondContact OD1-N 3.48Å; N33-E35 VanDerWaalsContact OD1-N 3.09Å; E35-C37 PolarHBondContact O-N 3.24Å
36D91.3Very high89.4Confident79 Ų7969.8 Ų69.842%0.42237%0.373SS..G310 helixtrans-71.4-4.1172.6-60.8-43.9000112.2C31 N32 N33 D34C31-D36 HydrophobicContact CB-CB 3.76Å; N32-D36 WeakPolarHBondContact CA-OD2 3.27Å; N32-D36 WeakPolarHBondContact CB-OD2 2.99Å; N32-D36 PolarHBondContact N-OD2 3.42Å; N33-D36 PolarHBondContact N-OD2 3.24Å; N33-D36 PolarHBondContact ND2-OD2 2.87Å; N33-D36 WeakPolarHBondContact O-CB 3.36Å; N33-D36 PolarHBondContact O-N 3.09Å; N33-D36 VanDerWaalsContact O-N 3.16Å; N33-D36 PolarHBondContact OD1-N 3.44Å; D34-D36 VanDerWaalsContact C-N 3.31Å
37C92.1Very high89.6Confident7 Ų765.5 Ų65.55%0.04735%0.35CS..SBendtrans-113.8142.6-176.4-61.70000111.2K12 D34 E35 K41 C52K12-C37 PolarHBondContact NZ-O 2.78Å; D34-C37 WeakPolarHBondContact O-CB 3.25Å; D34-C37 PolarHBondContact O-N 2.03Å; E35-C37 PolarHBondContact O-N 3.24Å; C37-K41 HydrophobicContact CB-CB 3.98Å; C37-K41 VanDerWaalsContact CB-O 3.24Å; C37-K41 WeakPolarHBondContact CB-O 2.98Å; C37-C52 WeakPolarHBondContact CA-SG 3.41Å; C37-C52 HydrophobicContact CB-CB 3.62Å; C37-C52 WeakPolarHBondContact CB-SG 3Å; C37-C52 WeakPolarHBondContact SG-CA 3.3Å; C37-C52 WeakPolarHBondContact SG-CB 3.37Å; C37-C52 CovalentContact SG-SG 2.03Å; C37-C52 PolarHBondContact SG-SG 2.75Å
38D90.9Very high89.8Confident121 Ų12168.6 Ų68.665%0.64736%0.359SS*.SBendtrans-75159.6173.9-54.1-80.1000112.6K41D38-K41 VanDerWaalsContact O-CB 3.25Å; D38-K41 WeakPolarHBondContact O-CB 3.19Å; D38-K41 WeakPolarHBondContact O-CG 3.23Å; D38-K41 PolarHBondContact O-N 3.2Å
39D85.5Confident89.9Confident126 Ų12663.3 Ų63.367%0.67434%0.335SS*.THydrogen-bonded Turntrans54.4-147.4175.3-45.3-64.3000113.2K12 K41K12-D39 WeakPolarHBondContact CD-O 3.23Å; K12-D39 VanDerWaalsContact CE-O 3.23Å; K12-D39 WeakPolarHBondContact CE-O 3.43Å; K12-D39 PolarHBondContact NZ-O 3.36Å; D39-K41 PolarHBondContact O-N 2.65Å; D39-K41 IonicContact OD2-NZ 2.67Å; D39-K41 PolarHBondContact OD2-NZ 2.78Å
40A81.9Confident89.9Confident59 Ų5964.7 Ų64.749%0.48833%0.331SS..THydrogen-bonded Turntrans-74.67.7173.400000114P55A40-P55 VanDerWaalsContact O-CD 3.28Å; A40-P55 WeakPolarHBondContact O-CD 3.28Å
41K89Confident89.9Confident61 Ų6156.7 Ų56.727%0.26530%0.301SS..  trans-72.6136.8-176.9-56.6-179.8-163.587.70110.4K12 C37 D38 D39 C52 L53 L54K12-K41 WeakPolarHBondContact CD-O 3.16Å; K12-K41 PolarHBondContact NZ-O 3.16Å; C37-K41 HydrophobicContact CB-CB 3.98Å; C37-K41 VanDerWaalsContact CB-O 3.24Å; C37-K41 WeakPolarHBondContact CB-O 2.98Å; D38-K41 VanDerWaalsContact O-CB 3.25Å; D38-K41 WeakPolarHBondContact O-CB 3.19Å; D38-K41 WeakPolarHBondContact O-CG 3.23Å; D38-K41 PolarHBondContact O-N 3.2Å; D39-K41 PolarHBondContact O-N 2.65Å; D39-K41 IonicContact OD2-NZ 2.67Å; D39-K41 PolarHBondContact OD2-NZ 2.78Å; K41-C52 HydrophobicContact CB-CB 4.13Å; K41-C52 HydrophobicContact CD-CB 4.22Å; K41-L53 CarbonylContact C-O 3.52Å; K41-L53 VanDerWaalsContact CA-O 3.27Å; K41-L53 WeakPolarHBondContact CA-O 3.42Å; K41-L54 HydrophobicContact CG-CD2 4.11Å
42K89.5Confident89.9Confident10 Ų1058.8 Ų58.84%0.04332%0.315CS..EExtended strand (participates in β ladder)trans-100.8147.4176.2-62.8179.769.572.30110.7K12 G14 D34 C44 C52 L53 P55K12-K42 HydrophobicContact CB-CG 4.27Å; K12-K42 PolarHBondContact O-NZ 3.24Å; G14-K42 WeakPolarHBondContact O-CD 3.36Å; G14-K42 WeakPolarHBondContact O-CE 3.39Å; G14-K42 PolarHBondContact O-NZ 2.62Å; G14-K42 VanDerWaalsContact O-NZ 3.12Å; D34-K42 WeakPolarHBondContact OD1-CA 3.44Å; D34-K42 WeakPolarHBondContact OD1-CB 3.32Å; D34-K42 IonicContact OD2-NZ 3.97Å; D34-K42 PolarHBondContact OD2-NZ 3.29Å; K42-C44 PolarHBondContact O-N 3.2Å; K42-C52 CarbonylContact O-C 3.53Å; K42-C52 VanDerWaalsContact O-CA 3.3Å; K42-C52 WeakPolarHBondContact O-CA 3.02Å; K42-L53 PolarHBondContact N-O 2.88Å; K42-L53 PolarHBondContact O-N 2.81Å; K42-P55 HydrophobicContact CD-CB 4.28Å; K42-P55 HydrophobicContact CD-CG 3.95Å; K42-P55 HydrophobicContact CG-CG 4.14Å
43C91.7Very high89.9Confident0 Ų055.6 Ų55.60%030%0.297CS..EExtended strand (participates in β ladder)trans-79.7101.1171.8-177.80000109.3C31 N33 D34 R50C31-C43 HydrophobicContact CB-CB 3.69Å; C31-C43 WeakPolarHBondContact CB-SG 2.98Å; C31-C43 PolarHBondContact O-SG 2.92Å; C31-C43 WeakPolarHBondContact SG-CA 3.41Å; C31-C43 WeakPolarHBondContact SG-CB 3.39Å; C31-C43 CovalentContact SG-SG 2.03Å; C31-C43 PolarHBondContact SG-SG 2.85Å; N33-C43 WeakPolarHBondContact O-CB 3.33Å; D34-C43 PolarHBondContact OD1-N 3.1Å; C43-R50 PolarHBondContact O-NH2 2.03Å; C43-R50 PolarHBondContact SG-NE 3.41Å
44C91.3Very high89.9Confident0 Ų057.6 Ų57.60%031%0.307CS..EExtended strand (participates in β ladder)trans-111.1146.7-169.8-67.40000112.8C16 K42 R50 R51 L53C16-C44 WeakPolarHBondContact CA-SG 3.27Å; C16-C44 HydrophobicContact CB-CB 3.65Å; C16-C44 WeakPolarHBondContact CB-SG 3.46Å; C16-C44 WeakPolarHBondContact SG-CA 3.31Å; C16-C44 WeakPolarHBondContact SG-CB 3.28Å; C16-C44 CovalentContact SG-SG 2.03Å; C16-C44 PolarHBondContact SG-SG 3Å; K42-C44 PolarHBondContact O-N 3.2Å; C44-R50 CarbonylContact O-C 3.59Å; C44-R50 WeakPolarHBondContact O-CA 3.4Å; C44-R51 PolarHBondContact N-O 3.42Å; C44-R51 PolarHBondContact O-N 2.8Å; C44-L53 HydrophobicContact CB-CB 4.26Å; C44-L53 HydrophobicContact CB-CD1 3.92Å; C44-L53 HydrophobicContact CB-CG 4.23Å
45P89.7Confident89.7Confident56 Ų5657.5 Ų57.536%0.36431%0.308SS..EExtended strand (participates in β ladder)trans-64.7137.5171.229.3-33.8000110.4
46T89.7Confident89.5Confident25 Ų2552.5 Ų52.515%0.15329%0.286CS..EExtended strand (participates in β ladder)trans-131.5174.6172.773.90000109.4I48 G49 R51 L53T46-I48 PolarHBondContact O-N 3.5Å; T46-I48 VanDerWaalsContact O-N 3.13Å; T46-I48 PolarHBondContact OG1-N 2.83Å; T46-G49 CarbonylContact C-O 3.49Å; T46-G49 WeakPolarHBondContact CA-O 3.45Å; T46-G49 WeakPolarHBondContact CB-O 2.98Å; T46-G49 PolarHBondContact N-O 2.84Å; T46-G49 PolarHBondContact O-N 3.12Å; T46-G49 PolarHBondContact OG1-O 3.43Å; T46-R51 HydrophobicContact CG2-CB 3.8Å; T46-R51 HydrophobicContact CG2-CG 3.58Å; T46-L53 HydrophobicContact CG2-CD1 3.96Å
47L90.6Very high88.6Confident59 Ų5952.9 Ų52.931%0.30929%0.292SS..THydrogen-bonded Turntrans-54.4-30.5173.9-176.660.1000112.9Q21 P22 L24Q21-L47 HydrophobicContact CB-CD1 3.9Å; P22-L47 WeakPolarHBondContact O-CD1 2.98Å; L24-L47 WeakPolarHBondContact CB-O 3.44Å; L24-L47 HydrophobicContact CD1-CD1 4.34Å; L24-L47 HydrophobicContact CD1-CG 4.1Å; L24-L47 HydrophobicContact CD2-CD1 4.31Å; L24-L47 HydrophobicContact CG-CD1 3.75Å; L24-L47 HydrophobicContact CG-CG 4.02Å; L24-L47 PolarHBondContact N-O 3.47Å
48I90Very high87.5Confident94 Ų9459.3 Ų59.348%0.48233%0.326SS..THydrogen-bonded Turntrans-118.651.4-175.755162.1000112.5L24 I28 T46 R51L24-I48 HydrophobicContact CD1-CG2 4.11Å; I28-I48 PolarHBondContact N-O 2.73Å; T46-I48 PolarHBondContact O-N 3.5Å; T46-I48 VanDerWaalsContact O-N 3.13Å; T46-I48 PolarHBondContact OG1-N 2.83Å; I48-R51 PolarHBondContact O-NH2 3.13Å
49G90.8Very high86.6Confident12 Ų1257.5 Ų57.512%0.12431%0.31CS..EExtended strand (participates in β ladder)trans84.7-159.3-178.400000112.4T46T46-G49 CarbonylContact C-O 3.49Å; T46-G49 WeakPolarHBondContact CA-O 3.45Å; T46-G49 WeakPolarHBondContact CB-O 2.98Å; T46-G49 PolarHBondContact N-O 2.84Å; T46-G49 PolarHBondContact O-N 3.12Å; T46-G49 PolarHBondContact OG1-O 3.43Å
50R92.9Very high86.1Confident86 Ų8652.8 Ų52.833%0.32528%0.284SS..EExtended strand (participates in β ladder)trans-92.5143.7-179.6-55.2-179.877.887.6-5.6114.1S29 R30 C43 C44S29-R50 PolarHBondContact OG-N 2.83Å; S29-R50 VanDerWaalsContact OG-N 3.12Å; R30-R50 PolarHBondContact N-O 3.25Å; C43-R50 PolarHBondContact O-NH2 2.03Å; C43-R50 PolarHBondContact SG-NE 3.41Å; C44-R50 CarbonylContact O-C 3.59Å; C44-R50 WeakPolarHBondContact O-CA 3.4Å
51R93.7Very high86Confident35 Ų3554.4 Ų54.413%0.13228%0.284CS..EExtended strand (participates in β ladder)trans-138.8150.1179.3-53.8-64.1155.3176.20.5111.2I28 C44 T46 I48 L53I28-R51 VanDerWaalsContact O-CZ 3.3Å; I28-R51 PolarHBondContact O-NH2 2.86Å; C44-R51 PolarHBondContact N-O 3.42Å; C44-R51 PolarHBondContact O-N 2.8Å; T46-R51 HydrophobicContact CG2-CB 3.8Å; T46-R51 HydrophobicContact CG2-CG 3.58Å; I48-R51 PolarHBondContact O-NH2 3.13Å; R51-L53 HydrophobicContact CB-CD2 4.35Å; R51-L53 HydrophobicContact CB-CG 4.37Å; R51-L53 PolarHBondContact O-N 3Å
52C94Very high85.8Confident47 Ų4751.6 Ų51.632%0.31827%0.272SS..EExtended strand (participates in β ladder)trans-71.6109.6169.3-60.10000109.8C37 K41 K42C37-C52 WeakPolarHBondContact CA-SG 3.41Å; C37-C52 HydrophobicContact CB-CB 3.62Å; C37-C52 WeakPolarHBondContact CB-SG 3Å; C37-C52 WeakPolarHBondContact SG-CA 3.3Å; C37-C52 WeakPolarHBondContact SG-CB 3.37Å; C37-C52 CovalentContact SG-SG 2.03Å; C37-C52 PolarHBondContact SG-SG 2.75Å; K41-C52 HydrophobicContact CB-CB 4.13Å; K41-C52 HydrophobicContact CD-CB 4.22Å; K42-C52 CarbonylContact O-C 3.53Å; K42-C52 VanDerWaalsContact O-CA 3.3Å; K42-C52 WeakPolarHBondContact O-CA 3.02Å
53L91.3Very high85.3Confident60 Ų6055.4 Ų55.431%0.31430%0.297SS..EExtended strand (participates in β ladder)trans-121.3152.3178.6-61.1-178.8000109.5P17 K41 K42 C44 T46 R51P17-L53 HydrophobicContact CG-CB 4.47Å; P17-L53 HydrophobicContact CG-CD1 4.34Å; K41-L53 CarbonylContact C-O 3.52Å; K41-L53 VanDerWaalsContact CA-O 3.27Å; K41-L53 WeakPolarHBondContact CA-O 3.42Å; K42-L53 PolarHBondContact N-O 2.88Å; K42-L53 PolarHBondContact O-N 2.81Å; C44-L53 HydrophobicContact CB-CB 4.26Å; C44-L53 HydrophobicContact CB-CD1 3.92Å; C44-L53 HydrophobicContact CB-CG 4.23Å; T46-L53 HydrophobicContact CG2-CD1 3.96Å; R51-L53 HydrophobicContact CB-CD2 4.35Å; R51-L53 HydrophobicContact CB-CG 4.37Å; R51-L53 PolarHBondContact O-N 3Å
54L87.8Confident84.9Confident116 Ų11658.7 Ų58.761%0.60732%0.315SS*.PPolyproline II helixtrans-64.3147.2166.2-69.8170.7000109.5P17 K41P17-L54 WeakPolarHBondContact CD-O 3.19Å; P17-L54 WeakPolarHBondContact CG-O 3.36Å; K41-L54 HydrophobicContact CG-CD2 4.11Å
55P83.8Confident84.4Confident17 Ų1763.6 Ų63.611%0.1135%0.349CS..PPolyproline II helixtrans-54.4149.3168.8-20.931.1000110.7A13 L15 A40 K42 P57 I60A13-P55 VanDerWaalsContact O-CG 3.31Å; A13-P55 WeakPolarHBondContact O-CG 3.4Å; L15-P55 CarbonylContact O-C 3.57Å; L15-P55 VanDerWaalsContact O-CA 3.27Å; L15-P55 WeakPolarHBondContact O-CA 3.02Å; A40-P55 VanDerWaalsContact O-CD 3.28Å; A40-P55 WeakPolarHBondContact O-CD 3.28Å; K42-P55 HydrophobicContact CD-CB 4.28Å; K42-P55 HydrophobicContact CD-CG 3.95Å; K42-P55 HydrophobicContact CG-CG 4.14Å; P55-P57 WeakPolarHBondContact O-CD 2.9Å; P55-I60 HydrophobicContact CB-CG2 3.92Å
56D82.8Confident84.1Confident33 Ų3362.5 Ų62.518%0.17634%0.343CS..PPolyproline II helixtrans-65116.7176.1-172.8-40.5000109.7L15 P17 L58 R59 I60L15-D56 PolarHBondContact O-N 2.94Å; P17-D56 HydrophobicContact CG-CB 4.45Å; D56-L58 PolarHBondContact O-N 2.89Å; D56-L58 VanDerWaalsContact O-N 3.13Å; D56-L58 WeakPolarHBondContact OD1-CB 3.02Å; D56-L58 PolarHBondContact OD1-N 2.93Å; D56-R59 HydrophobicContact CB-CB 4Å; D56-R59 HydrophobicContact CB-CG 3.93Å; D56-R59 PolarHBondContact O-N 3.15Å; D56-I60 WeakPolarHBondContact O-CG2 3.45Å; D56-I60 PolarHBondContact O-N 2.81Å
57P70.9Confident83.5Confident86 Ų8667.1 Ų67.156%0.55837%0.366SS*.THydrogen-bonded Turntrans-62.4-22.3-176.226.2-34.7000113.3P55 I60 I61P55-P57 WeakPolarHBondContact O-CD 2.9Å; P57-I60 WeakPolarHBondContact O-CG1 3.12Å; P57-I61 VanDerWaalsContact O-CD1 3.24Å; P57-I61 WeakPolarHBondContact O-CD1 3.42Å; P57-I61 VanDerWaalsContact O-CG1 3.31Å; P57-I61 WeakPolarHBondContact O-CG1 3.43Å
58L70.4Confident82.9Confident143 Ų14364.4 Ų64.475%0.74935%0.352SS*.THydrogen-bonded Turntrans-85.1-19.3177.4-59.9-178.8000112.6D56D56-L58 PolarHBondContact O-N 2.89Å; D56-L58 VanDerWaalsContact O-N 3.13Å; D56-L58 WeakPolarHBondContact OD1-CB 3.02Å; D56-L58 PolarHBondContact OD1-N 2.93Å
59R72.4Confident82Confident82 Ų8264.2 Ų64.231%0.30935%0.352SS..SBendtrans-1007.9-178.8-57.7-170.765.2140.92.9113.7L15 D56 V88L15-R59 HydrophobicContact CB-CB 3.98Å; L15-R59 HydrophobicContact CD1-CB 4Å; D56-R59 HydrophobicContact CB-CB 4Å; D56-R59 HydrophobicContact CB-CG 3.93Å; D56-R59 PolarHBondContact O-N 3.15Å; R59-V88 WeakPolarHBondContact O-CG1 3.32Å
60I73.9Confident81.2Confident27 Ų2765.2 Ų65.214%0.13835%0.354CS..SBendtrans-114.70.8176.363.4-173000112.4P55 D56 P57 L67 A68P55-I60 HydrophobicContact CB-CG2 3.92Å; D56-I60 WeakPolarHBondContact O-CG2 3.45Å; D56-I60 PolarHBondContact O-N 2.81Å; P57-I60 WeakPolarHBondContact O-CG1 3.12Å; I60-L67 HydrophobicContact CB-CD1 3.73Å; I60-L67 HydrophobicContact CD1-CD1 3.41Å; I60-L67 VanDerWaalsContact CD1-CD1 3.41Å; I60-L67 HydrophobicContact CG1-CD1 3.42Å; I60-L67 VanDerWaalsContact CG1-CD1 3.42Å; I60-A68 WeakPolarHBondContact O-CB 3.46Å; I60-A68 PolarHBondContact O-N 3.43Å
61I79.6Confident80.6Confident93 Ų9362.5 Ų62.548%0.47735%0.348SS..BIsolated β-bridgetrans-93.1119.9-178.2-63.3168.9000109P57 S66P57-I61 VanDerWaalsContact O-CD1 3.24Å; P57-I61 WeakPolarHBondContact O-CD1 3.42Å; P57-I61 VanDerWaalsContact O-CG1 3.31Å; P57-I61 WeakPolarHBondContact O-CG1 3.43Å; I61-S66 WeakPolarHBondContact CA-O 3.43Å
62C84.5Confident80.2Confident3 Ų361.2 Ų61.22%0.0234%0.344CS..  trans-70.8160.5171.9-70.50000111.4D64 S65 S66 C90C62-D64 WeakPolarHBondContact CB-OD1 3.2Å; C62-D64 PolarHBondContact O-N 3.03Å; C62-D64 VanDerWaalsContact O-N 3.12Å; C62-S65 WeakPolarHBondContact O-CA 3.43Å; C62-S65 PolarHBondContact O-N 2.03Å; C62-S66 WeakPolarHBondContact CB-O 3.07Å; C62-S66 VanDerWaalsContact CB-OG 3.28Å; C62-S66 WeakPolarHBondContact CB-OG 3.41Å; C62-S66 PolarHBondContact N-O 2.84Å; C62-C90 WeakPolarHBondContact CA-SG 3.24Å; C62-C90 HydrophobicContact CB-CB 3.71Å; C62-C90 WeakPolarHBondContact CB-SG 3.31Å; C62-C90 WeakPolarHBondContact SG-CA 3.37Å; C62-C90 WeakPolarHBondContact SG-CB 3.4Å; C62-C90 CovalentContact SG-SG 2.03Å; C62-C90 PolarHBondContact SG-SG 2.66Å
63P80.3Confident79.8Confident89 Ų8964.7 Ų64.758%0.57836%0.363SS*.THydrogen-bonded Turntrans-60-24.1-178.724.1-34.9000113.7S65 I85 I93P63-S65 PolarHBondContact O-N 3.38Å; P63-I85 HydrophobicContact CG-CD1 4.07Å; P63-I93 HydrophobicContact CG-CD1 4.48Å
64D82.2Confident79.6Confident70 Ų7067.1 Ų67.137%0.37438%0.376SS..THydrogen-bonded Turntrans-83.67.7173.572.8-49.5000113.5C62 S66 I93C62-D64 WeakPolarHBondContact CB-OD1 3.2Å; C62-D64 PolarHBondContact O-N 3.03Å; C62-D64 VanDerWaalsContact O-N 3.12Å; D64-S66 PolarHBondContact O-N 2.84Å; D64-S66 WeakPolarHBondContact OD1-CB 3.09Å; D64-S66 PolarHBondContact OD1-N 3.34Å; D64-S66 PolarHBondContact OD1-OG 3.44Å; D64-S66 WeakPolarHBondContact OD2-CB 3.47Å; D64-S66 PolarHBondContact OD2-OG 3.12Å; D64-I93 HydrophobicContact CB-CD1 3.8Å; D64-I93 HydrophobicContact CB-CG1 4Å
65S80.5Confident79.6Confident102 Ų10266 Ų6671%0.71337%0.371SS*.SBendtrans67.89.4-172.3-49.20000115.4C62 P63C62-S65 WeakPolarHBondContact O-CA 3.43Å; C62-S65 PolarHBondContact O-N 2.03Å; P63-S65 PolarHBondContact O-N 3.38Å
66S83.6Confident79.7Confident34 Ų3472.3 Ų72.324%0.23840%0.402CS..PPolyproline II helixtrans-74.5164171.3680000111.9I61 C62 D64 P91I61-S66 WeakPolarHBondContact CA-O 3.43Å; C62-S66 WeakPolarHBondContact CB-O 3.07Å; C62-S66 VanDerWaalsContact CB-OG 3.28Å; C62-S66 WeakPolarHBondContact CB-OG 3.41Å; C62-S66 PolarHBondContact N-O 2.84Å; D64-S66 PolarHBondContact O-N 2.84Å; D64-S66 WeakPolarHBondContact OD1-CB 3.09Å; D64-S66 PolarHBondContact OD1-N 3.34Å; D64-S66 PolarHBondContact OD1-OG 3.44Å; D64-S66 WeakPolarHBondContact OD2-CB 3.47Å; D64-S66 PolarHBondContact OD2-OG 3.12Å; S66-P91 WeakPolarHBondContact OG-CD 3.31Å; S66-P91 WeakPolarHBondContact OG-CG 3.47Å
67L78.2Confident79.7Confident121 Ų12174 Ų7463%0.63441%0.411SS*.BIsolated β-bridgetrans-86.5128.4174.8-17467.3000109.5I60I60-L67 HydrophobicContact CB-CD1 3.73Å; I60-L67 HydrophobicContact CD1-CD1 3.41Å; I60-L67 VanDerWaalsContact CD1-CD1 3.41Å; I60-L67 HydrophobicContact CG1-CD1 3.42Å; I60-L67 VanDerWaalsContact CG1-CD1 3.42Å
68A76.7Confident80.4Confident2 Ų270.8 Ų70.82%0.01739%0.39CS..PPolyproline II helixtrans-66.1136.2173.600000112I60 V88 C89I60-A68 WeakPolarHBondContact O-CB 3.46Å; I60-A68 PolarHBondContact O-N 3.43Å; A68-V88 HydrophobicContact CB-CB 3.57Å; A68-V88 HydrophobicContact CB-CG1 4.16Å; A68-V88 HydrophobicContact CB-CG2 3.93Å; A68-C89 WeakPolarHBondContact CA-O 3.38Å
69D72.2Confident81Confident91 Ų9168.1 Ų68.149%0.48738%0.377SS..  trans-82.5-35.1-175.5-171.256.7000112.9A13 C89A13-D69 WeakPolarHBondContact CA-O 3.28Å; A13-D69 WeakPolarHBondContact CB-O 3.13Å; D69-C89 PolarHBondContact N-O 2.84Å
70L74.1Confident81.3Confident32 Ų3271.1 Ų71.117%0.16840%0.399CS..  trans-147.6160.3-177.3-16474.1000110.6V11 D77 L79 V88 C89V11-L70 WeakPolarHBondContact O-CD1 3.43Å; L70-D77 WeakPolarHBondContact CD2-O 3.47Å; L70-L79 HydrophobicContact CD2-CD1 4.39Å; L70-V88 CarbonylContact O-C 3.59Å; L70-V88 WeakPolarHBondContact O-CA 3.46Å; L70-C89 HydrophobicContact CB-CB 4.35Å; L70-C89 PolarHBondContact O-N 3.19Å
71T80.1Confident81.4Confident30 Ų3074.1 Ų74.118%0.18443%0.427CS..BIsolated β-bridgetrans-85.7145.3162.355.90000110.8G14 L15 D87 V88G14-T71 VanDerWaalsContact C-CG2 3.47Å; G14-T71 WeakPolarHBondContact O-CG2 2.97Å; L15-T71 HydrophobicContact CD2-CG2 3.6Å; L15-T71 HydrophobicContact CG-CG2 3.85Å; T71-D87 CarbonylContact C-O 3.53Å; T71-D87 WeakPolarHBondContact CA-O 3.48Å; T71-D87 WeakPolarHBondContact CB-O 3.05Å; T71-V88 HydrophobicContact CG2-CG1 4.42Å
72C85.7Confident81.7Confident8 Ų871 Ų715%0.05441%0.411CS..  trans-138.4162.8-177.553.10000111.5D77 C84 D87 C89C72-D77 HydrophobicContact CB-CB 3.87Å; C72-C84 HydrophobicContact CB-CB 3.81Å; C72-C84 WeakPolarHBondContact CB-SG 3.28Å; C72-C84 WeakPolarHBondContact SG-CA 3.45Å; C72-C84 WeakPolarHBondContact SG-CB 3.39Å; C72-C84 CovalentContact SG-SG 2.02Å; C72-C84 PolarHBondContact SG-SG 3.41Å; C72-D87 PolarHBondContact N-O 2.91Å; C72-D87 WeakPolarHBondContact O-CA 2.99Å; C72-C89 VanDerWaalsContact CB-SG 3.53Å
73V85.9Confident81.9Confident120 Ų12072.4 Ų72.473%0.72742%0.42SS*.SBendtrans-107.7-35.8163.9-176.80000109.5D77V73-D77 PolarHBondContact N-OD2 2.87Å
74L86.6Confident82.3Confident110 Ų11069.4 Ų69.458%0.57640%0.401SS*.SBendtrans-133.5160.1-179.4-62.6173.1000110.1I76 D77L74-I76 HydrophobicContact CB-CG2 3.97Å; L74-I76 HydrophobicContact CD1-CG2 4.48Å; L74-I76 PolarHBondContact O-N 3.46Å; L74-I76 VanDerWaalsContact O-N 3.12Å; L74-D77 PolarHBondContact N-OD2 2.98Å; L74-D77 WeakPolarHBondContact O-CB 3.35Å; L74-D77 PolarHBondContact O-N 3.1Å
75D86.5Confident82.6Confident94 Ų9468.6 Ų68.650%0.50340%0.396SS..G310 helixtrans-57.6-29177.9-55.2-30.9000112.8D77 C78 C84D75-D77 PolarHBondContact O-N 2.88Å; D75-C78 VanDerWaalsContact O-CB 3.32Å; D75-C78 WeakPolarHBondContact O-CB 3.26Å; D75-C78 PolarHBondContact O-N 3.29Å; D75-C78 VanDerWaalsContact O-N 3.1Å; D75-C84 VanDerWaalsContact OD1-CB 3.31Å; D75-C84 WeakPolarHBondContact OD1-CB 3.34Å; D75-C84 PolarHBondContact OD1-N 2.83Å
76I85.7Confident82.7Confident148 Ų14870.3 Ų70.376%0.75940%0.397SS*.G310 helixtrans-68-19.1177.9-165166.6000113.6L74 C78L74-I76 HydrophobicContact CB-CG2 3.97Å; L74-I76 HydrophobicContact CD1-CG2 4.48Å; L74-I76 PolarHBondContact O-N 3.46Å; L74-I76 VanDerWaalsContact O-N 3.12Å; I76-C78 PolarHBondContact O-N 3.28Å
77D84Confident82.7Confident70 Ų7072.8 Ų72.837%0.37441%0.408SS..G310 helixtrans-75.7-15175.4-56.2-41.6000111.4L70 C72 V73 L74 D75L70-D77 WeakPolarHBondContact CD2-O 3.47Å; C72-D77 HydrophobicContact CB-CB 3.87Å; V73-D77 PolarHBondContact N-OD2 2.87Å; L74-D77 PolarHBondContact N-OD2 2.98Å; L74-D77 WeakPolarHBondContact O-CB 3.35Å; L74-D77 PolarHBondContact O-N 3.1Å; D75-D77 PolarHBondContact O-N 2.88Å
78C86Confident83Confident18 Ų1867.3 Ų67.312%0.12238%0.379CS..  trans-89.9144.1-176.3-600000112.9D75 I76 N82 C89D75-C78 VanDerWaalsContact O-CB 3.32Å; D75-C78 WeakPolarHBondContact O-CB 3.26Å; D75-C78 PolarHBondContact O-N 3.29Å; D75-C78 VanDerWaalsContact O-N 3.1Å; I76-C78 PolarHBondContact O-N 3.28Å; C78-N82 HydrophobicContact CB-CB 3.88Å; C78-N82 WeakPolarHBondContact CB-O 3.01Å; C78-C89 WeakPolarHBondContact CA-SG 3.45Å; C78-C89 HydrophobicContact CB-CB 3.71Å; C78-C89 WeakPolarHBondContact CB-SG 3.19Å; C78-C89 VanDerWaalsContact SG-CA 3.5Å; C78-C89 WeakPolarHBondContact SG-CB 3.28Å; C78-C89 CovalentContact SG-SG 2.03Å; C78-C89 PolarHBondContact SG-SG 3.03Å
79L83.2Confident83.6Confident87 Ų8767.2 Ų67.246%0.45538%0.379SS..SBendtrans-88.6165.2172.7-71.580.1000110.6L70 A81 N82L70-L79 HydrophobicContact CD2-CD1 4.39Å; L79-A81 VanDerWaalsContact C-N 3.28Å; L79-A81 PolarHBondContact O-N 3.08Å; L79-A81 VanDerWaalsContact O-N 3.15Å; L79-N82 VanDerWaalsContact O-CB 3.31Å; L79-N82 WeakPolarHBondContact O-CB 3.31Å; L79-N82 PolarHBondContact O-N 3.15Å; L79-N82 VanDerWaalsContact O-N 3.08Å; L79-N82 PolarHBondContact O-ND2 2.02Å; L79-N82 VanDerWaalsContact O-ND2 3.15Å
80D78.6Confident84.3Confident145 Ų14563 Ų6378%0.77536%0.356SS*.THydrogen-bonded Turntrans55.931.8170.4-59.3-52.6000116.2N82D80-N82 PolarHBondContact O-N 2.03Å
81A75.7Confident84.9Confident89 Ų8963.7 Ų63.774%0.73636%0.362SS*.THydrogen-bonded Turntrans59.926.5-177.600000114L79L79-A81 VanDerWaalsContact C-N 3.28Å; L79-A81 PolarHBondContact O-N 3.08Å; L79-A81 VanDerWaalsContact O-N 3.15Å
82N85.9Confident84.8Confident27 Ų2768.5 Ų68.514%0.14438%0.383CS..  trans-67.9153.5166.8-69.2-32.3000110.6C78 L79 D80 C89 C90 P91C78-N82 HydrophobicContact CB-CB 3.88Å; C78-N82 WeakPolarHBondContact CB-O 3.01Å; L79-N82 VanDerWaalsContact O-CB 3.31Å; L79-N82 WeakPolarHBondContact O-CB 3.31Å; L79-N82 PolarHBondContact O-N 3.15Å; L79-N82 VanDerWaalsContact O-N 3.08Å; L79-N82 PolarHBondContact O-ND2 2.02Å; L79-N82 VanDerWaalsContact O-ND2 3.15Å; D80-N82 PolarHBondContact O-N 2.03Å; N82-C89 HydrophobicContact CB-CB 4.12Å; N82-C90 CarbonylContact C-O 3.52Å; N82-C90 VanDerWaalsContact CA-O 3.26Å; N82-C90 WeakPolarHBondContact CA-O 2.99Å; N82-C90 VanDerWaalsContact CB-O 3.28Å; N82-C90 WeakPolarHBondContact CB-O 3.33Å; N82-P91 WeakPolarHBondContact OD1-CA 3.49Å
83V89.2Confident84.1Confident33 Ų3372.8 Ų72.820%0.240%0.404CS..EExtended strand (participates in β ladder)trans-107147.5177.3-710000110.5I85 C89 C90 E92V83-I85 HydrophobicContact CG2-CD1 3.71Å; V83-I85 HydrophobicContact CG2-CG1 3.87Å; V83-I85 PolarHBondContact O-N 2.95Å; V83-C89 WeakPolarHBondContact O-CA 2.93Å; V83-C90 PolarHBondContact N-O 3.14Å; V83-C90 PolarHBondContact O-N 3.27Å; V83-E92 HydrophobicContact CG1-CG 4.49Å
84C88.8Confident83.2Confident27 Ų2772.1 Ų72.118%0.18240%0.402CS..EExtended strand (participates in β ladder)trans-83.6106.1179.4-168.10000110.7C72 D75C72-C84 HydrophobicContact CB-CB 3.81Å; C72-C84 WeakPolarHBondContact CB-SG 3.28Å; C72-C84 WeakPolarHBondContact SG-CA 3.45Å; C72-C84 WeakPolarHBondContact SG-CB 3.39Å; C72-C84 CovalentContact SG-SG 2.02Å; C72-C84 PolarHBondContact SG-SG 3.41Å; D75-C84 VanDerWaalsContact OD1-CB 3.31Å; D75-C84 WeakPolarHBondContact OD1-CB 3.34Å; D75-C84 PolarHBondContact OD1-N 2.83Å
85I87.2Confident82.5Confident53 Ų5374.2 Ų74.227%0.27241%0.413SS..EExtended strand (participates in β ladder)trans-120.7122-179.2-54.8179.2000108.2P63 V83 D87 V88 C90P63-I85 HydrophobicContact CG-CD1 4.07Å; V83-I85 HydrophobicContact CG2-CD1 3.71Å; V83-I85 HydrophobicContact CG2-CG1 3.87Å; V83-I85 PolarHBondContact O-N 2.95Å; I85-D87 VanDerWaalsContact C-N 3.29Å; I85-D87 PolarHBondContact O-N 2.85Å; I85-V88 PolarHBondContact N-O 3.35Å; I85-V88 WeakPolarHBondContact O-CG2 3.03Å; I85-V88 PolarHBondContact O-N 2.89Å; I85-C90 HydrophobicContact CD1-CB 4.02Å; I85-C90 HydrophobicContact CG1-CB 4.41Å
86N83.5Confident81.8Confident137 Ų13774.6 Ų74.673%0.73342%0.421SS*.THydrogen-bonded Turntrans49.947179.8-62.8-52.2000113.5V88N86-V88 PolarHBondContact O-N 3.45Å
87D83.1Confident81.4Confident86 Ų8673.4 Ų73.446%0.4642%0.423SS..THydrogen-bonded Turntrans66.413.7-179.5-42.4-64.7000114.9L15 T71 C72 I85L15-D87 HydrophobicContact CD1-CB 4.25Å; T71-D87 CarbonylContact C-O 3.53Å; T71-D87 WeakPolarHBondContact CA-O 3.48Å; T71-D87 WeakPolarHBondContact CB-O 3.05Å; C72-D87 PolarHBondContact N-O 2.91Å; C72-D87 WeakPolarHBondContact O-CA 2.99Å; I85-D87 VanDerWaalsContact C-N 3.29Å; I85-D87 PolarHBondContact O-N 2.85Å
88V85.4Confident81.3Confident6 Ų677.1 Ų77.14%0.03644%0.441CS..EExtended strand (participates in β ladder)trans-130.4141.9176.8-66.20000113L15 R59 A68 L70 T71 I85 N86 C90L15-V88 HydrophobicContact CD1-CG1 3.92Å; L15-V88 HydrophobicContact CG-CG1 4.15Å; R59-V88 WeakPolarHBondContact O-CG1 3.32Å; A68-V88 HydrophobicContact CB-CB 3.57Å; A68-V88 HydrophobicContact CB-CG1 4.16Å; A68-V88 HydrophobicContact CB-CG2 3.93Å; L70-V88 CarbonylContact O-C 3.59Å; L70-V88 WeakPolarHBondContact O-CA 3.46Å; T71-V88 HydrophobicContact CG2-CG1 4.42Å; I85-V88 PolarHBondContact N-O 3.35Å; I85-V88 WeakPolarHBondContact O-CG2 3.03Å; I85-V88 PolarHBondContact O-N 2.89Å; N86-V88 PolarHBondContact O-N 3.45Å; V88-C90 PolarHBondContact O-N 3.29Å
89C87.6Confident81.2Confident1 Ų181 Ų811%0.00747%0.466CS..EExtended strand (participates in β ladder)trans-77.4117.9177.9-65.40000110.3A68 D69 L70 C72 C78 N82 V83A68-C89 WeakPolarHBondContact CA-O 3.38Å; D69-C89 PolarHBondContact N-O 2.84Å; L70-C89 HydrophobicContact CB-CB 4.35Å; L70-C89 PolarHBondContact O-N 3.19Å; C72-C89 VanDerWaalsContact CB-SG 3.53Å; C78-C89 WeakPolarHBondContact CA-SG 3.45Å; C78-C89 HydrophobicContact CB-CB 3.71Å; C78-C89 WeakPolarHBondContact CB-SG 3.19Å; C78-C89 VanDerWaalsContact SG-CA 3.5Å; C78-C89 WeakPolarHBondContact SG-CB 3.28Å; C78-C89 CovalentContact SG-SG 2.03Å; C78-C89 PolarHBondContact SG-SG 3.03Å; N82-C89 HydrophobicContact CB-CB 4.12Å; V83-C89 WeakPolarHBondContact O-CA 2.93Å
90C88.5Confident81.3Confident1 Ų182.8 Ų82.81%0.00748%0.483CS..EExtended strand (participates in β ladder)trans-122.2148.6-178.5-70.40000111.2C62 N82 V83 I85 V88 E92C62-C90 WeakPolarHBondContact CA-SG 3.24Å; C62-C90 HydrophobicContact CB-CB 3.71Å; C62-C90 WeakPolarHBondContact CB-SG 3.31Å; C62-C90 WeakPolarHBondContact SG-CA 3.37Å; C62-C90 WeakPolarHBondContact SG-CB 3.4Å; C62-C90 CovalentContact SG-SG 2.03Å; C62-C90 PolarHBondContact SG-SG 2.66Å; N82-C90 CarbonylContact C-O 3.52Å; N82-C90 VanDerWaalsContact CA-O 3.26Å; N82-C90 WeakPolarHBondContact CA-O 2.99Å; N82-C90 VanDerWaalsContact CB-O 3.28Å; N82-C90 WeakPolarHBondContact CB-O 3.33Å; V83-C90 PolarHBondContact N-O 3.14Å; V83-C90 PolarHBondContact O-N 3.27Å; I85-C90 HydrophobicContact CD1-CB 4.02Å; I85-C90 HydrophobicContact CG1-CB 4.41Å; V88-C90 PolarHBondContact O-N 3.29Å; C90-E92 PolarHBondContact O-N 2.75Å
91P85.3Confident81.4Confident47 Ų4783.1 Ų83.131%0.30548%0.484SS..  trans-59.2136.2172.726.2-33.3000110.1S66 N82 I93S66-P91 WeakPolarHBondContact OG-CD 3.31Å; S66-P91 WeakPolarHBondContact OG-CG 3.47Å; N82-P91 WeakPolarHBondContact OD1-CA 3.49Å; P91-I93 PolarHBondContact O-N 3.12Å; P91-I93 VanDerWaalsContact O-N 3.14Å
92E79.2Confident81.6Confident131 Ų13183.9 Ų83.961%0.61248%0.482SS*.  trans-63.3116.9168.5-161.2-177.1106.600107.3V83 C90 P94V83-E92 HydrophobicContact CG1-CG 4.49Å; C90-E92 PolarHBondContact O-N 2.75Å; E92-P94 WeakPolarHBondContact O-CD 3.13Å
93I69.8Low81.4Confident98 Ų9888.8 Ų88.850%0.50352%0.515SS..  trans-70.4112.2170.7-55.2173.3000105.5P63 D64 P91 L95P63-I93 HydrophobicContact CG-CD1 4.48Å; D64-I93 HydrophobicContact CB-CD1 3.8Å; D64-I93 HydrophobicContact CB-CG1 4Å; P91-I93 PolarHBondContact O-N 3.12Å; P91-I93 VanDerWaalsContact O-N 3.14Å; I93-L95 PolarHBondContact O-N 3.04Å
94P67Low81Confident106 Ų10693.1 Ų93.169%0.68854%0.541SS*.PPolyproline II helixtrans-61.5120.7176.9-17.431.8000107.4E92E92-P94 WeakPolarHBondContact O-CD 3.13Å
95L71.4Confident80.5Confident154 Ų15496.4 Ų96.481%0.80656%0.564SS**PPolyproline II helixtrans-56.7140.3171.7-68.9173.8000108.1I93I93-L95 PolarHBondContact O-N 3.04Å
96P72.7Confident80Confident103 Ų10399.8 Ų99.867%0.66959%0.59SS**PPolyproline II helixtrans-56.3148.5174.124.9-33.2000109.3I98P96-I98 PolarHBondContact O-N 3.18Å
97P78.4Confident79.5Confident123 Ų123100.3 Ų100.380%0.79959%0.592SS**PPolyproline II helixtrans-54128.2178.320.5-30.7000109.8P99P97-P99 WeakPolarHBondContact O-CD 3.49Å
98I81.7Confident79Confident148 Ų148101.3 Ų101.376%0.75960%0.603SS**PPolyproline II helixtrans-63.4123.8178.2-53174.1000107.1P96P96-I98 PolarHBondContact O-N 3.18Å
99P82.8Confident78.3Confident98 Ų98105 Ų10564%0.63663%0.627SS**PPolyproline II helixtrans-61.8152.3173.725.9-32.9000110P97 L101P97-P99 WeakPolarHBondContact O-CD 3.49Å; P99-L101 PolarHBondContact O-N 3.32Å
100P85.7Confident77.8Confident126 Ų126112.1 Ų112.182%0.81866%0.664SS**PPolyproline II helixtrans-55.7134.3177.223-32.3000110.2
101L80.1Confident77.3Confident152 Ų152116.8 Ų116.880%0.79670%0.695SS**PPolyproline II helixtrans-60.4140.1176-84.981.2000109.6P99P99-L101 PolarHBondContact O-N 3.32Å
102P80.7Confident77.4Confident105 Ų105116 Ų11668%0.68269%0.686SS**PPolyproline II helixtrans-63.9156.2171.928.2-34.1000110.5V104P102-V104 PolarHBondContact O-N 3.17Å; P102-V104 VanDerWaalsContact O-N 3.17Å
103P81.3Confident77.9Confident130 Ų130114.7 Ų114.784%0.84469%0.689SS**PPolyproline II helixtrans-58124.3172.825.3-33.1000109.3S105P103-S105 PolarHBondContact O-N 3.45Å
104V80.2Confident79Confident123 Ų123111.2 Ų111.275%0.74568%0.678SS**PPolyproline II helixtrans-75.5119.4172.845.30000108.5P102 L107P102-V104 PolarHBondContact O-N 3.17Å; P102-V104 VanDerWaalsContact O-N 3.17Å; V104-L107 HydrophobicContact CG2-CD1 4.49Å
105S78.7Confident80.3Confident96 Ų96113 Ų11367%0.67168%0.675SS**PPolyproline II helixtrans-61.1143.7164.5-61.20000109.1P103 L107P103-S105 PolarHBondContact O-N 3.45Å; S105-L107 PolarHBondContact O-N 3.15Å; S105-L107 VanDerWaalsContact O-N 3.15Å
106P77.8Confident81.4Confident124 Ų124108 Ų10881%0.80565%0.652SS**PPolyproline II helixtrans-51126.7171.9-22.831.9000109.2
107L71.5Confident82.4Confident148 Ų148105.3 Ų105.378%0.77564%0.635SS**PPolyproline II helixtrans-55.7140.1174-101.975.8000108.4V104 S105V104-L107 HydrophobicContact CG2-CD1 4.49Å; S105-L107 PolarHBondContact O-N 3.15Å; S105-L107 VanDerWaalsContact O-N 3.15Å
108P72.3Confident83Confident108 Ų108105 Ų10570%0.70163%0.633SS**PPolyproline II helixtrans-56.5146.2168.825.9-33.2000108.9L110P108-L110 PolarHBondContact O-N 3.29Å
109P71.8Confident83.4Confident84 Ų84100.7 Ų100.755%0.54561%0.611SS.*PPolyproline II helixtrans-56.6127.8177.2-17.227.3000110.1D137P109-D137 WeakPolarHBondContact CB-OD2 3.29Å
110L76.9Confident83.8Confident149 Ų149102 Ų10278%0.7862%0.617SS**PPolyproline II helixtrans-70.6128.8177.9-171.773.3000108.3P108 K112P108-L110 PolarHBondContact O-N 3.29Å; L110-K112 PolarHBondContact O-N 3.2Å
111P78.7Confident83.8Confident100 Ų100100.6 Ų100.665%0.64960%0.602SS**PPolyproline II helixtrans-58.1131.7179.122.5-32.3000110.2
112K87.1Confident84.1Confident29 Ų2996.7 Ų96.713%0.12659%0.586CS.*PPolyproline II helixtrans-65141.5179.6-65.5-176.3-1711790110.3L110 D136 C139 L141 R143 K144L110-K112 PolarHBondContact O-N 3.2Å; K112-D136 HydrophobicContact CB-CB 4.27Å; K112-D136 HydrophobicContact CD-CB 3.87Å; K112-D136 WeakPolarHBondContact CE-O 3.23Å; K112-D136 HydrophobicContact CG-CB 3.94Å; K112-D136 PolarHBondContact NZ-O 3.02Å; K112-C139 PolarHBondContact NZ-O 2.95Å; K112-L141 WeakPolarHBondContact CE-O 3.22Å; K112-L141 PolarHBondContact NZ-O 2.03Å; K112-R143 WeakPolarHBondContact CD-O 2.96Å; K112-R143 PolarHBondContact NZ-O 2.67Å; K112-K144 HydrophobicContact CB-CG 4.16Å; K112-K144 PolarHBondContact O-NZ 2.78Å
113P89.3Confident84.5Confident104 Ų10497 Ų9768%0.67560%0.598SS**SBendtrans-64.9155.4-177.426.8-35000112.8P157P113-P157 WeakPolarHBondContact O-CB 2.89Å; P113-P157 WeakPolarHBondContact O-CG 3.36Å
114G92.4Very high84.6Confident26 Ų2695 Ų9527%0.26860%0.6SS.*SBendtrans84.5179.3176.500000115.1K144 I158G114-K144 WeakPolarHBondContact O-CD 3.49Å; G114-K144 WeakPolarHBondContact O-CE 3.5Å; G114-I158 CarbonylContact C-O 3.53Å; G114-I158 WeakPolarHBondContact CA-O 3.38Å
115F94.3Very high84.7Confident144 Ų14493.3 Ų93.363%0.63258%0.58SS**BIsolated β-bridgetrans-116.5155.5-173-61.2-83.3000112.3P157 I158F115-P157 CarbonylContact O-C 3.58Å; F115-P157 WeakPolarHBondContact O-CA 3.48Å; F115-I158 HydrophobicContact CB-CG1 4.15Å; F115-I158 PolarHBondContact N-O 3.37Å; F115-I158 WeakPolarHBondContact O-CG1 3.13Å; F115-I158 PolarHBondContact O-N 3.14Å
116C95.2Very high84.9Confident47 Ų4795.7 Ų95.732%0.31858%0.581SS.*PPolyproline II helixtrans-67.1142.3170.7-71.20000110.8C146C116-C146 WeakPolarHBondContact CA-SG 3.17Å; C116-C146 HydrophobicContact CB-CB 3.67Å; C116-C146 WeakPolarHBondContact CB-SG 2.99Å; C116-C146 WeakPolarHBondContact SG-CA 3.01Å; C116-C146 WeakPolarHBondContact SG-CB 3.01Å; C116-C146 CovalentContact SG-SG 2.03Å; C116-C146 PolarHBondContact SG-SG 3.45Å
117P93.3Very high85Confident47 Ų4794.4 Ų94.431%0.30556%0.563SS.*PPolyproline II helixtrans-54.9145.1170.1-23.232.6000111.4L119 L155 I158P117-L119 PolarHBondContact O-N 2.82Å; P117-L155 HydrophobicContact CG-CD1 4.18Å; P117-I158 HydrophobicContact CG-CG2 4.41Å
118P91.6Very high85.3Confident117 Ų11796 Ų9676%0.7656%0.563SS**PPolyproline II helixtrans-63.8135.317926.8-34.2000111
119L88.8Confident85.9Confident58 Ų5894.2 Ų94.230%0.30455%0.548SS..PPolyproline II helixtrans-103.5124.5176.1-175.867.5000109.9P117 I121 I147 L149P117-L119 PolarHBondContact O-N 2.82Å; L119-I121 HydrophobicContact CD2-CD1 4.2Å; L119-I121 HydrophobicContact CD2-CG1 3.94Å; L119-I121 HydrophobicContact CG-CG1 4.05Å; L119-I147 HydrophobicContact CD2-CB 4.41Å; L119-I147 HydrophobicContact CD2-CD1 4.08Å; L119-I147 HydrophobicContact CD2-CG1 4.13Å; L119-L149 HydrophobicContact CD1-CD2 4.21Å; L119-L149 HydrophobicContact CD1-CG 4.02Å
120T91.2Very high86.7Confident125 Ų12598.5 Ų98.577%0.76756%0.558SS**PPolyproline II helixtrans-100.5117.6168.7-53.20000109.2
121I86.7Confident87.6Confident96 Ų9693.7 Ų93.749%0.49253%0.533SS..PPolyproline II helixtrans-96123.6-178.5-56.6177.4000109.2L119 W125 L149L119-I121 HydrophobicContact CD2-CD1 4.2Å; L119-I121 HydrophobicContact CD2-CG1 3.94Å; L119-I121 HydrophobicContact CG-CG1 4.05Å; I121-W125 HydrophobicContact CG2-CB 3.6Å; I121-W125 HydrophobicContact CG2-CD2 4.19Å; I121-W125 HydrophobicContact CG2-CE3 3.8Å; I121-W125 HydrophobicContact CG2-CG 4.14Å; I121-L149 HydrophobicContact CG1-CD2 4.35Å; I121-L149 HydrophobicContact CG2-CD2 4.48Å
122P86.4Confident88.4Confident70 Ų7094.3 Ų94.346%0.45553%0.53SS..PPolyproline II helixtrans-68.8151.2175.423.1-25.1000111.4G124 W125P122-G124 PolarHBondContact O-N 3.16Å; P122-W125 HydrophobicContact CG-CB 3.97Å; P122-W125 HydrophobicContact CG-CG 4.16Å; P122-W125 WeakPolarHBondContact O-CB 3.15Å; P122-W125 PolarHBondContact O-N 3.43Å; P122-W125 VanDerWaalsContact O-N 3.14Å
123A87.9Confident88.7Confident113 Ų11393.2 Ų93.293%0.93453%0.526SS*.THydrogen-bonded Turntrans-59.3132.417900000111.2W125A123-W125 VanDerWaalsContact C-N 3.33Å
124G84.4Confident88.9Confident87 Ų8794.4 Ų94.490%0.89753%0.527SS*.THydrogen-bonded Turntrans79.111.5-177.900000114.8P122P122-G124 PolarHBondContact O-N 3.16Å
125W83Confident88.9Confident87 Ų8797.4 Ų97.433%0.3354%0.536SS..  trans-75.6132.3175.9-165.777000111.7I121 P122 A123 K127 L149I121-W125 HydrophobicContact CG2-CB 3.6Å; I121-W125 HydrophobicContact CG2-CD2 4.19Å; I121-W125 HydrophobicContact CG2-CE3 3.8Å; I121-W125 HydrophobicContact CG2-CG 4.14Å; P122-W125 HydrophobicContact CG-CB 3.97Å; P122-W125 HydrophobicContact CG-CG 4.16Å; P122-W125 WeakPolarHBondContact O-CB 3.15Å; P122-W125 PolarHBondContact O-N 3.43Å; P122-W125 VanDerWaalsContact O-N 3.14Å; A123-W125 VanDerWaalsContact C-N 3.33Å; W125-K127 HydrophobicContact CH2-CB 3.83Å; W125-K127 HydrophobicContact CH2-CG 4.23Å; W125-K127 HydrophobicContact CZ3-CB 4.01Å; W125-L149 HydrophobicContact CD2-CD2 3.69Å; W125-L149 HydrophobicContact CE3-CD2 3.92Å; W125-L149 HydrophobicContact CG-CD2 4.19Å; W125-L149 HydrophobicContact CH2-CB 4.41Å; W125-L149 HydrophobicContact CH2-CD2 4.41Å; W125-L149 VanDerWaalsContact CZ2-CA 3.47Å; W125-L149 HydrophobicContact CZ2-CB 3.96Å; W125-L149 HydrophobicContact CZ2-CD2 4.28Å; W125-L149 WeakPolarHBondContact CZ2-O 3.47Å; W125-L149 HydrophobicContact CZ3-CD2 4.23Å
126E82.9Confident88.8Confident146 Ų14691.8 Ų91.868%0.68251%0.513SS*.  trans-126.3134.8176.2-164.1-177.190.600108.8K128E126-K128 PolarHBondContact O-N 2.65Å; E126-K128 VanDerWaalsContact O-N 3.14Å
127K79Confident88.6Confident98 Ų9893.4 Ų93.443%0.42652%0.518SS..  trans-67.7109-178.8-179.7-175.61741790110.1W125 D131W125-K127 HydrophobicContact CH2-CB 3.83Å; W125-K127 HydrophobicContact CH2-CG 4.23Å; W125-K127 HydrophobicContact CZ3-CB 4.01Å; K127-D131 WeakPolarHBondContact CE-OD1 3.42Å; K127-D131 IonicContact NZ-OD1 2.69Å; K127-D131 PolarHBondContact NZ-OD1 3.14Å; K127-D131 IonicContact NZ-OD2 2.67Å; K127-D131 PolarHBondContact NZ-OD2 3.33Å
128K77.9Confident88.6Confident180 Ų18095.3 Ų95.378%0.78353%0.526SS*.  trans-101.1-17.6176.7-72.4-177.6178.3175.30114.1E126E126-K128 PolarHBondContact O-N 2.65Å; E126-K128 VanDerWaalsContact O-N 3.14Å
129D85.5Confident88.7Confident71 Ų7190 Ų9038%0.3849%0.491SS..SBendtrans-95.9150.1-173.1-70.8-87000113.1L150D129-L150 HydrophobicContact CB-CB 4.39Å; D129-L150 WeakPolarHBondContact CB-O 3.34Å; D129-L150 WeakPolarHBondContact OD2-CD2 3Å
130K89.1Confident88.9Confident175 Ų17591.1 Ų91.176%0.76150%0.502SS*.PPolyproline II helixtrans-74.8141.3178.1-168.6-178.3175.3-178.40111.1
131D94.7Very high88.8Confident47 Ų4792.5 Ų92.525%0.25150%0.504SS..PPolyproline II helixtrans-66.7136.9170.7-62.6-39.3000111.3K127 G151 N152K127-D131 WeakPolarHBondContact CE-OD1 3.42Å; K127-D131 IonicContact NZ-OD1 2.69Å; K127-D131 PolarHBondContact NZ-OD1 3.14Å; K127-D131 IonicContact NZ-OD2 2.67Å; K127-D131 PolarHBondContact NZ-OD2 3.33Å; D131-G151 WeakPolarHBondContact OD1-CA 3.45Å; D131-N152 HydrophobicContact CB-CB 3.88Å; D131-N152 WeakPolarHBondContact OD1-CB 3.44Å; D131-N152 VanDerWaalsContact OD1-CG 3.26Å; D131-N152 PolarHBondContact OD1-N 2.75Å
132L94.7Very high88.9Confident113 Ų11390.6 Ų90.659%0.59250%0.503SS*.SBendtrans-102.5-3.7174.7-65.2-163.7000113.6N152L132-N152 PolarHBondContact N-O 2.67Å
133C95.3Very high89.3Confident6 Ų692 Ų924%0.04150%0.499CS..  trans-154.8153.7175.459.20000108.7D138 C145 N152C133-D138 HydrophobicContact CB-CB 3.78Å; C133-C145 HydrophobicContact CB-CB 3.78Å; C133-C145 WeakPolarHBondContact CB-SG 3.41Å; C133-C145 PolarHBondContact O-SG 2.94Å; C133-C145 WeakPolarHBondContact SG-CA 3.11Å; C133-C145 WeakPolarHBondContact SG-CB 3.4Å; C133-C145 CovalentContact SG-SG 2.04Å; C133-C145 PolarHBondContact SG-SG 2.03Å; C133-N152 WeakPolarHBondContact O-CB 3.41Å; C133-N152 PolarHBondContact O-ND2 3.24Å; C133-N152 VanDerWaalsContact O-ND2 3.12Å
134D93.3Very high89.7Confident129 Ų12988 Ų8869%0.6946%0.46SS*.SBendtrans-113.8-35.7173.7-67-40.4000110.9D138D134-D138 PolarHBondContact N-OD2 2.87Å
135I91.8Very high90.2Very high90 Ų9084.9 Ų84.946%0.46242%0.424SS..SBendtrans-129.5163.3177.660.5169.3000111.8D137 D138 C145I135-D137 HydrophobicContact CD1-CB 4.01Å; I135-D137 HydrophobicContact CG1-CB 4.34Å; I135-D137 PolarHBondContact O-N 3.2Å; I135-D138 PolarHBondContact N-OD2 2.85Å; I135-D138 WeakPolarHBondContact O-CB 3.24Å; I135-D138 PolarHBondContact O-N 2.98Å; I135-D138 VanDerWaalsContact O-N 3.14Å; I135-C145 WeakPolarHBondContact O-CB 3.27Å
136D93.1Very high90.8Very high26 Ų2680.8 Ų80.814%0.13941%0.409CS..G310 helixtrans-53.7-37.7178.5-79.8-8.3000112.7K112 D138 C139 K144 C145K112-D136 HydrophobicContact CB-CB 4.27Å; K112-D136 HydrophobicContact CD-CB 3.87Å; K112-D136 WeakPolarHBondContact CE-O 3.23Å; K112-D136 HydrophobicContact CG-CB 3.94Å; K112-D136 PolarHBondContact NZ-O 3.02Å; D136-D138 VanDerWaalsContact C-N 3.27Å; D136-D138 PolarHBondContact O-N 2.9Å; D136-C139 VanDerWaalsContact O-CB 3.27Å; D136-C139 WeakPolarHBondContact O-CB 3.16Å; D136-C139 PolarHBondContact O-N 2.81Å; D136-K144 WeakPolarHBondContact OD1-CA 2.97Å; D136-K144 VanDerWaalsContact OD1-CB 3.23Å; D136-K144 WeakPolarHBondContact OD1-CB 3.36Å; D136-K144 IonicContact OD1-NZ 2.75Å; D136-K144 WeakPolarHBondContact OD2-CE 3.18Å; D136-K144 IonicContact OD2-NZ 2.72Å; D136-K144 PolarHBondContact OD2-NZ 3.14Å; D136-C145 PolarHBondContact OD1-N 3.12Å
137D90.5Very high91.2Very high81 Ų8179.1 Ų79.143%0.43340%0.404SS..G310 helixtrans-67.9-21.4-178-61.4-65.4000114.7P109 I135 C139P109-D137 WeakPolarHBondContact CB-OD2 3.29Å; I135-D137 HydrophobicContact CD1-CB 4.01Å; I135-D137 HydrophobicContact CG1-CB 4.34Å; I135-D137 PolarHBondContact O-N 3.2Å; D137-C139 PolarHBondContact O-N 2.65Å
138D92.6Very high91.9Very high86 Ų8675.7 Ų75.746%0.4639%0.391SS..G310 helixtrans-65.7-21.5171.8-60.1-36.4000111.3C133 D134 I135 D136C133-D138 HydrophobicContact CB-CB 3.78Å; D134-D138 PolarHBondContact N-OD2 2.87Å; I135-D138 PolarHBondContact N-OD2 2.85Å; I135-D138 WeakPolarHBondContact O-CB 3.24Å; I135-D138 PolarHBondContact O-N 2.98Å; I135-D138 VanDerWaalsContact O-N 3.14Å; D136-D138 VanDerWaalsContact C-N 3.27Å; D136-D138 PolarHBondContact O-N 2.9Å
139C94.5Very high92.5Very high5 Ų570 Ų703%0.03437%0.369CS..SBendtrans-89137.5-178.6-64.80000111.8K112 D136 D137 R143 C154K112-C139 PolarHBondContact NZ-O 2.95Å; D136-C139 VanDerWaalsContact O-CB 3.27Å; D136-C139 WeakPolarHBondContact O-CB 3.16Å; D136-C139 PolarHBondContact O-N 2.81Å; D137-C139 PolarHBondContact O-N 2.65Å; C139-R143 HydrophobicContact CB-CB 3.86Å; C139-R143 VanDerWaalsContact CB-O 3.29Å; C139-R143 WeakPolarHBondContact CB-O 3.35Å; C139-C154 WeakPolarHBondContact CA-SG 3.35Å; C139-C154 HydrophobicContact CB-CB 3.55Å; C139-C154 WeakPolarHBondContact CB-SG 2.87Å; C139-C154 WeakPolarHBondContact SG-CA 3.18Å; C139-C154 WeakPolarHBondContact SG-CB 3.11Å; C139-C154 CovalentContact SG-SG 2.03Å; C139-C154 PolarHBondContact SG-SG 2.81Å
140P92Very high92.7Very high82 Ų8271.2 Ų71.253%0.53238%0.375SS..SBendtrans-68.8150.1176.828.8-34.6000111.1R143P140-R143 WeakPolarHBondContact O-CB 3.42Å; P140-R143 PolarHBondContact O-N 2.85Å
141L88.7Confident92.8Very high154 Ų15463 Ų6381%0.80634%0.34SS*.THydrogen-bonded Turntrans57.5-148.4175.3-51.8170.5000111.9K112 R143K112-L141 WeakPolarHBondContact CE-O 3.22Å; K112-L141 PolarHBondContact NZ-O 2.03Å; L141-R143 PolarHBondContact O-N 2.98Å; L141-R143 VanDerWaalsContact O-N 3.16Å
142A90Very high92.8Very high57 Ų5762 Ų6247%0.47133%0.334SS..THydrogen-bonded Turntrans-7712.5-179.700000114.5P157A142-P157 WeakPolarHBondContact O-CD 3.43Å; A142-P157 WeakPolarHBondContact O-CG 3.38Å
143R94.7Very high92.8Very high100 Ų10060 Ų6038%0.37732%0.319SS..  trans-75.5140.2-178.3-66.1177.3-179.6-135.74.2111K112 C139 P140 L141 C154 L155 L156K112-R143 WeakPolarHBondContact CD-O 2.96Å; K112-R143 PolarHBondContact NZ-O 2.67Å; C139-R143 HydrophobicContact CB-CB 3.86Å; C139-R143 VanDerWaalsContact CB-O 3.29Å; C139-R143 WeakPolarHBondContact CB-O 3.35Å; P140-R143 WeakPolarHBondContact O-CB 3.42Å; P140-R143 PolarHBondContact O-N 2.85Å; L141-R143 PolarHBondContact O-N 2.98Å; L141-R143 VanDerWaalsContact O-N 3.16Å; R143-C154 HydrophobicContact CB-CB 4.16Å; R143-C154 PolarHBondContact NH1-O 3.18Å; R143-L155 CarbonylContact C-O 3.6Å; R143-L155 VanDerWaalsContact CA-O 3.24Å; R143-L155 WeakPolarHBondContact CA-O 3.43Å; R143-L155 WeakPolarHBondContact CB-O 3.19Å; R143-L156 HydrophobicContact CG-CD2 4.09Å
144K95Very high92.9Very high28 Ų2861.1 Ų61.112%0.12233%0.327CS..EExtended strand (participates in β ladder)trans-97.5150.6174.9-66.1-175.973.973.70110.8K112 G114 D136 C146 C154 L155 P157K112-K144 HydrophobicContact CB-CG 4.16Å; K112-K144 PolarHBondContact O-NZ 2.78Å; G114-K144 WeakPolarHBondContact O-CD 3.49Å; G114-K144 WeakPolarHBondContact O-CE 3.5Å; D136-K144 WeakPolarHBondContact OD1-CA 2.97Å; D136-K144 VanDerWaalsContact OD1-CB 3.23Å; D136-K144 WeakPolarHBondContact OD1-CB 3.36Å; D136-K144 IonicContact OD1-NZ 2.75Å; D136-K144 WeakPolarHBondContact OD2-CE 3.18Å; D136-K144 IonicContact OD2-NZ 2.72Å; D136-K144 PolarHBondContact OD2-NZ 3.14Å; K144-C146 PolarHBondContact O-N 2.04Å; K144-C154 WeakPolarHBondContact O-CA 3.47Å; K144-L155 PolarHBondContact N-O 3.38Å; K144-L155 PolarHBondContact O-N 3Å; K144-P157 HydrophobicContact CD-CB 3.67Å; K144-P157 HydrophobicContact CD-CG 4.38Å; K144-P157 HydrophobicContact CG-CB 4.03Å; K144-P157 HydrophobicContact CG-CG 4.3Å
145C95.6Very high93Very high21 Ų2157.6 Ų57.614%0.14231%0.307CS..EExtended strand (participates in β ladder)trans-81.1109.8171.9-172.90000109.2C133 I135 D136C133-C145 HydrophobicContact CB-CB 3.78Å; C133-C145 WeakPolarHBondContact CB-SG 3.41Å; C133-C145 PolarHBondContact O-SG 2.94Å; C133-C145 WeakPolarHBondContact SG-CA 3.11Å; C133-C145 WeakPolarHBondContact SG-CB 3.4Å; C133-C145 CovalentContact SG-SG 2.04Å; C133-C145 PolarHBondContact SG-SG 2.03Å; I135-C145 WeakPolarHBondContact O-CB 3.27Å; D136-C145 PolarHBondContact OD1-N 3.12Å
146C95.3Very high93.1Very high1 Ų159 Ų591%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-123.4141.2-170.9-63.30000111.3C116 K144 N152 R153 L155C116-C146 WeakPolarHBondContact CA-SG 3.17Å; C116-C146 HydrophobicContact CB-CB 3.67Å; C116-C146 WeakPolarHBondContact CB-SG 2.99Å; C116-C146 WeakPolarHBondContact SG-CA 3.01Å; C116-C146 WeakPolarHBondContact SG-CB 3.01Å; C116-C146 CovalentContact SG-SG 2.03Å; C116-C146 PolarHBondContact SG-SG 3.45Å; K144-C146 PolarHBondContact O-N 2.04Å; C146-N152 CarbonylContact O-C 3.54Å; C146-N152 WeakPolarHBondContact O-CA 3.41Å; C146-R153 PolarHBondContact N-O 2.69Å; C146-R153 PolarHBondContact O-N 2.86Å; C146-L155 HydrophobicContact CB-CB 4.22Å; C146-L155 HydrophobicContact CB-CD1 3.87Å; C146-L155 HydrophobicContact CB-CG 4.1Å
147I92.7Very high93.2Very high111 Ų11159.6 Ų59.657%0.56932%0.32SS*.EExtended strand (participates in β ladder)trans-64.3137.3172.154.8168.3000110.9L119 N152L119-I147 HydrophobicContact CD2-CB 4.41Å; L119-I147 HydrophobicContact CD2-CD1 4.08Å; L119-I147 HydrophobicContact CD2-CG1 4.13Å; I147-N152 WeakPolarHBondContact CG2-OD1 3.4Å
148T92.3Very high93.2Very high26 Ų2659.7 Ų59.716%0.1632%0.32CS..EExtended strand (participates in β ladder)trans-137.2172173.575.50000110.5L150 G151 R153 L155T148-L150 PolarHBondContact O-N 3.26Å; T148-L150 PolarHBondContact OG1-N 2.62Å; T148-G151 WeakPolarHBondContact CB-O 3.35Å; T148-G151 PolarHBondContact N-O 2.97Å; T148-G151 PolarHBondContact O-N 2.98Å; T148-G151 VanDerWaalsContact O-N 3.15Å; T148-G151 PolarHBondContact OG1-O 3.02Å; T148-R153 HydrophobicContact CG2-CB 3.95Å; T148-R153 HydrophobicContact CG2-CG 4.01Å; T148-L155 HydrophobicContact CG2-CD1 3.83Å; T148-L155 HydrophobicContact CG2-CG 4.42Å
149L90.3Very high92.9Very high62 Ų6262.7 Ų62.733%0.32536%0.357SS..THydrogen-bonded Turntrans-65.23.2168.6-59-178.7000113.3L119 I121 W125L119-L149 HydrophobicContact CD1-CD2 4.21Å; L119-L149 HydrophobicContact CD1-CG 4.02Å; I121-L149 HydrophobicContact CG1-CD2 4.35Å; I121-L149 HydrophobicContact CG2-CD2 4.48Å; W125-L149 HydrophobicContact CD2-CD2 3.69Å; W125-L149 HydrophobicContact CE3-CD2 3.92Å; W125-L149 HydrophobicContact CG-CD2 4.19Å; W125-L149 HydrophobicContact CH2-CB 4.41Å; W125-L149 HydrophobicContact CH2-CD2 4.41Å; W125-L149 VanDerWaalsContact CZ2-CA 3.47Å; W125-L149 HydrophobicContact CZ2-CB 3.96Å; W125-L149 HydrophobicContact CZ2-CD2 4.28Å; W125-L149 WeakPolarHBondContact CZ2-O 3.47Å; W125-L149 HydrophobicContact CZ3-CD2 4.23Å
150L90Very high92.8Very high96 Ų9665.6 Ų65.650%0.50337%0.373SS..THydrogen-bonded Turntrans-126.129174.6-62.1172.1000110.8D129 T148 R153D129-L150 HydrophobicContact CB-CB 4.39Å; D129-L150 WeakPolarHBondContact CB-O 3.34Å; D129-L150 WeakPolarHBondContact OD2-CD2 3Å; T148-L150 PolarHBondContact O-N 3.26Å; T148-L150 PolarHBondContact OG1-N 2.62Å; L150-R153 PolarHBondContact O-NE 3.15Å; L150-R153 PolarHBondContact O-NH2 3.01Å
151G91.9Very high92.8Very high2 Ų264.7 Ų64.72%0.02137%0.365CS..EExtended strand (participates in β ladder)trans80.1-167-173.200000113.1D131 T148D131-G151 WeakPolarHBondContact OD1-CA 3.45Å; T148-G151 WeakPolarHBondContact CB-O 3.35Å; T148-G151 PolarHBondContact N-O 2.97Å; T148-G151 PolarHBondContact O-N 2.98Å; T148-G151 VanDerWaalsContact O-N 3.15Å; T148-G151 PolarHBondContact OG1-O 3.02Å
152N95.1Very high93.1Very high26 Ų2659.8 Ų59.814%0.13934%0.34CS..EExtended strand (participates in β ladder)trans-72128.9-179-64.3-14.5000111.1D131 L132 C133 C146 I147D131-N152 HydrophobicContact CB-CB 3.88Å; D131-N152 WeakPolarHBondContact OD1-CB 3.44Å; D131-N152 VanDerWaalsContact OD1-CG 3.26Å; D131-N152 PolarHBondContact OD1-N 2.75Å; L132-N152 PolarHBondContact N-O 2.67Å; C133-N152 WeakPolarHBondContact O-CB 3.41Å; C133-N152 PolarHBondContact O-ND2 3.24Å; C133-N152 VanDerWaalsContact O-ND2 3.12Å; C146-N152 CarbonylContact O-C 3.54Å; C146-N152 WeakPolarHBondContact O-CA 3.41Å; I147-N152 WeakPolarHBondContact CG2-OD1 3.4Å
153R95.2Very high93.3Very high70 Ų7059.9 Ų59.926%0.26433%0.333SS..EExtended strand (participates in β ladder)trans-136.5151.6-179.2-57.3-66.1169.4152.9-3.8110.6C146 T148 L150 L155C146-R153 PolarHBondContact N-O 2.69Å; C146-R153 PolarHBondContact O-N 2.86Å; T148-R153 HydrophobicContact CG2-CB 3.95Å; T148-R153 HydrophobicContact CG2-CG 4.01Å; L150-R153 PolarHBondContact O-NE 3.15Å; L150-R153 PolarHBondContact O-NH2 3.01Å; R153-L155 HydrophobicContact CB-CD2 4.42Å; R153-L155 PolarHBondContact O-N 3.14Å
154C96.3Very high93.2Very high30 Ų3057.4 Ų57.420%0.20333%0.33CS..EExtended strand (participates in β ladder)trans-77.899.3176.4-620000111.4C139 R143 K144C139-C154 WeakPolarHBondContact CA-SG 3.35Å; C139-C154 HydrophobicContact CB-CB 3.55Å; C139-C154 WeakPolarHBondContact CB-SG 2.87Å; C139-C154 WeakPolarHBondContact SG-CA 3.18Å; C139-C154 WeakPolarHBondContact SG-CB 3.11Å; C139-C154 CovalentContact SG-SG 2.03Å; C139-C154 PolarHBondContact SG-SG 2.81Å; R143-C154 HydrophobicContact CB-CB 4.16Å; R143-C154 PolarHBondContact NH1-O 3.18Å; K144-C154 WeakPolarHBondContact O-CA 3.47Å
155L95.8Very high93Very high55 Ų5559.4 Ų59.429%0.28834%0.344SS..EExtended strand (participates in β ladder)trans-105.7153.4-179.4-59.6-174.1000111.2P117 R143 K144 C146 T148 R153P117-L155 HydrophobicContact CG-CD1 4.18Å; R143-L155 CarbonylContact C-O 3.6Å; R143-L155 VanDerWaalsContact CA-O 3.24Å; R143-L155 WeakPolarHBondContact CA-O 3.43Å; R143-L155 WeakPolarHBondContact CB-O 3.19Å; K144-L155 PolarHBondContact N-O 3.38Å; K144-L155 PolarHBondContact O-N 3Å; C146-L155 HydrophobicContact CB-CB 4.22Å; C146-L155 HydrophobicContact CB-CD1 3.87Å; C146-L155 HydrophobicContact CB-CG 4.1Å; T148-L155 HydrophobicContact CG2-CD1 3.83Å; T148-L155 HydrophobicContact CG2-CG 4.42Å; R153-L155 HydrophobicContact CB-CD2 4.42Å; R153-L155 PolarHBondContact O-N 3.14Å
156L94.2Very high92.9Very high121 Ų12162.1 Ų62.163%0.63436%0.358SS*.PPolyproline II helixtrans-68.9129.3168-72.7170.3000108.5R143R143-L156 HydrophobicContact CG-CD2 4.09Å
157P94.1Very high92.7Very high37 Ų3766.8 Ų66.824%0.2439%0.385CS..PPolyproline II helixtrans-68.6148.3176.527.9-33.4000111.3P113 F115 A142 K144P113-P157 WeakPolarHBondContact O-CB 2.89Å; P113-P157 WeakPolarHBondContact O-CG 3.36Å; F115-P157 CarbonylContact O-C 3.58Å; F115-P157 WeakPolarHBondContact O-CA 3.48Å; A142-P157 WeakPolarHBondContact O-CD 3.43Å; A142-P157 WeakPolarHBondContact O-CG 3.38Å; K144-P157 HydrophobicContact CD-CB 3.67Å; K144-P157 HydrophobicContact CD-CG 4.38Å; K144-P157 HydrophobicContact CG-CB 4.03Å; K144-P157 HydrophobicContact CG-CG 4.3Å
158I92.2Very high92.7Very high84 Ų8463.2 Ų63.243%0.43137%0.37SS..BIsolated β-bridgetrans-86.9148.3165.359.9172.5000109.5G114 F115 P117G114-I158 CarbonylContact C-O 3.53Å; G114-I158 WeakPolarHBondContact CA-O 3.38Å; F115-I158 HydrophobicContact CB-CG1 4.15Å; F115-I158 PolarHBondContact N-O 3.37Å; F115-I158 WeakPolarHBondContact O-CG1 3.13Å; F115-I158 PolarHBondContact O-N 3.14Å; P117-I158 HydrophobicContact CG-CG2 4.41Å
159A85Confident92.7Very high149 Ų14966.5 Ų66.5100%1.23139%0.389SS*.  trans-73.40-179.200000112

Retrieved 159 of 159 residues in 26.7 ms (Link to these results)