A0A077ZAY3_TRITR Loading...

CARMIL pleckstrin homology domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZAY3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 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
1M65.3Low73.6Confident110 Ų11078.7 Ų78.754%0.54241%0.409SS..  0-49.30-154.2169.1-76.300112S3 A4 I5 T36 F38 P51 M57M1-S3 PolarHBondContact O-N 2.96Å; M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.49Å; M1-I5 PolarHBondContact O-N 2.89Å; M1-T36 HydrophobicContact SD-CG2 4.46Å; M1-F38 HydrophobicContact CB-CE2 4.49Å; M1-F38 HydrophobicContact CB-CZ 4.03Å; M1-F38 HydrophobicContact CG-CE2 3.74Å; M1-F38 HydrophobicContact CG-CZ 3.78Å; M1-F38 HydrophobicContact SD-CD2 4.48Å; M1-F38 HydrophobicContact SD-CE2 3.23Å; M1-F38 WeakPolarHBondContact SD-CE2 3.49Å; M1-F38 HydrophobicContact SD-CZ 3.5Å; M1-F38 WeakPolarHBondContact SD-CZ 3.2Å; M1-P51 HydrophobicContact CE-CB 4.48Å; M1-P51 HydrophobicContact CE-CG 4.44Å; M1-M57 HydrophobicContact CG-CE 4.11Å; M1-M57 HydrophobicContact CG-SD 3.97Å; M1-M57 HydrophobicContact SD-CE 4.39Å
2L69.4Low73.6Confident83 Ų8374.3 Ų74.344%0.43539%0.386SS..Hα-helixtrans-52.3-40.3173.6-171.466.4000113.4A4 I5 Q6 L17 T23L2-A4 VanDerWaalsContact C-N 3.26Å; L2-A4 PolarHBondContact O-N 2.99Å; L2-I5 WeakPolarHBondContact O-CB 3.29Å; L2-I5 PolarHBondContact O-N 2.89Å; L2-I5 VanDerWaalsContact O-N 3.11Å; L2-Q6 WeakPolarHBondContact O-CG 3.41Å; L2-Q6 PolarHBondContact O-N 3.25Å; L2-L17 HydrophobicContact CD1-CD2 3.91Å; L2-T23 HydrophobicContact CD1-CG2 3.93Å
3S73.4Confident73.7Confident69 Ų6969.2 Ų69.248%0.48336%0.359SS..Hα-helixtrans-58.8-32.7174.354.70000114M1 K7M1-S3 PolarHBondContact O-N 2.96Å; S3-K7 WeakPolarHBondContact O-CG 3.42Å; S3-K7 PolarHBondContact O-N 3.04Å; S3-K7 VanDerWaalsContact O-N 3.1Å
4A73Confident73.7Confident25 Ų2568.9 Ų68.921%0.20738%0.381CS..Hα-helixtrans-76.2-33.8175.900000112M1 L2 N8 M57M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.49Å; L2-A4 VanDerWaalsContact C-N 3.26Å; L2-A4 PolarHBondContact O-N 2.99Å; A4-N8 PolarHBondContact O-N 2.72Å; A4-N8 PolarHBondContact O-ND2 2.76Å; A4-M57 HydrophobicContact CB-CG 4.1Å
5I72.1Confident73.7Confident0 Ų065.4 Ų65.40%036%0.361CS..Hα-helixtrans-64.9-46.5171.1-59.1172.6000109.3M1 L2 K7 N8 S9 L17 F38 I40 M57M1-I5 PolarHBondContact O-N 2.89Å; L2-I5 WeakPolarHBondContact O-CB 3.29Å; L2-I5 PolarHBondContact O-N 2.89Å; L2-I5 VanDerWaalsContact O-N 3.11Å; I5-K7 PolarHBondContact O-N 3.19Å; I5-N8 CarbonylContact O-C 3.51Å; I5-N8 PolarHBondContact O-N 2.77Å; I5-S9 VanDerWaalsContact O-CA 3.28Å; I5-S9 WeakPolarHBondContact O-CA 3.43Å; I5-S9 VanDerWaalsContact O-CB 3.27Å; I5-S9 WeakPolarHBondContact O-CB 3.32Å; I5-S9 PolarHBondContact O-N 2.92Å; I5-L17 HydrophobicContact CB-CD2 4.29Å; I5-L17 HydrophobicContact CG2-CD1 3.73Å; I5-L17 HydrophobicContact CG2-CD2 3.85Å; I5-L17 HydrophobicContact CG2-CG 4.37Å; I5-F38 HydrophobicContact CD1-CB 4.12Å; I5-F38 HydrophobicContact CD1-CD1 3.79Å; I5-F38 HydrophobicContact CD1-CD2 3.71Å; I5-F38 HydrophobicContact CD1-CE1 4.16Å; I5-F38 HydrophobicContact CD1-CE2 4.13Å; I5-F38 HydrophobicContact CD1-CG 3.55Å; I5-F38 HydrophobicContact CD1-CZ 4.34Å; I5-I40 HydrophobicContact CD1-CD1 4.43Å; I5-I40 HydrophobicContact CG2-CD1 3.79Å; I5-M57 HydrophobicContact CD1-CE 4.04Å; I5-M57 HydrophobicContact CG1-CE 3.82Å; I5-M57 HydrophobicContact CG1-CG 3.81Å; I5-M57 HydrophobicContact CG1-SD 4.36Å
6Q74.7Confident73.6Confident106 Ų10662.6 Ų62.650%0.49535%0.347SS..Hα-helixtrans-55.8-50.2177.8-74.5173.9-24.600111.7L2 N8 S9 L17L2-Q6 WeakPolarHBondContact O-CG 3.41Å; L2-Q6 PolarHBondContact O-N 3.25Å; Q6-N8 VanDerWaalsContact C-N 3.32Å; Q6-N8 PolarHBondContact O-N 3.34Å; Q6-S9 WeakPolarHBondContact O-CB 3.42Å; Q6-S9 PolarHBondContact O-N 2.87Å; Q6-S9 PolarHBondContact O-OG 2.91Å; Q6-L17 HydrophobicContact CB-CD2 4.31Å; Q6-L17 HydrophobicContact CG-CB 4.22Å; Q6-L17 HydrophobicContact CG-CD2 3.34Å; Q6-L17 HydrophobicContact CG-CG 4.37Å
7K76.7Confident73.3Confident180 Ų18059.8 Ų59.878%0.78333%0.331SS*.Hα-helixtrans-60.9-36.9179.5-74.8179.1-179.7-172.90113.7S3 I5S3-K7 WeakPolarHBondContact O-CG 3.42Å; S3-K7 PolarHBondContact O-N 3.04Å; S3-K7 VanDerWaalsContact O-N 3.1Å; I5-K7 PolarHBondContact O-N 3.19Å
8N77.1Confident73Confident43 Ų4368.1 Ų68.123%0.2336%0.357CS..THydrogen-bonded Turntrans-99.18.7-177.5-60.8-53.6000113.1A4 I5 Q6 I10 D11 L12A4-N8 PolarHBondContact O-N 2.72Å; A4-N8 PolarHBondContact O-ND2 2.76Å; I5-N8 CarbonylContact O-C 3.51Å; I5-N8 PolarHBondContact O-N 2.77Å; Q6-N8 VanDerWaalsContact C-N 3.32Å; Q6-N8 PolarHBondContact O-N 3.34Å; N8-I10 PolarHBondContact O-N 2.71Å; N8-D11 PolarHBondContact O-N 2.78Å; N8-L12 HydrophobicContact CB-CD1 3.65Å; N8-L12 HydrophobicContact CB-CG 4.09Å; N8-L12 WeakPolarHBondContact O-CB 3.31Å; N8-L12 VanDerWaalsContact O-CG 3.24Å; N8-L12 WeakPolarHBondContact O-CG 3.38Å; N8-L12 PolarHBondContact O-N 2.93Å
9S76.2Confident72.8Confident5 Ų570.4 Ų70.44%0.03536%0.364CS..Hα-helixtrans-64.6-40.3-164.152.10000113.8I5 Q6 D11 L12 L13 E15 L17I5-S9 VanDerWaalsContact O-CA 3.28Å; I5-S9 WeakPolarHBondContact O-CA 3.43Å; I5-S9 VanDerWaalsContact O-CB 3.27Å; I5-S9 WeakPolarHBondContact O-CB 3.32Å; I5-S9 PolarHBondContact O-N 2.92Å; Q6-S9 WeakPolarHBondContact O-CB 3.42Å; Q6-S9 PolarHBondContact O-N 2.87Å; Q6-S9 PolarHBondContact O-OG 2.91Å; S9-D11 VanDerWaalsContact C-N 3.32Å; S9-D11 PolarHBondContact O-N 2.83Å; S9-L12 PolarHBondContact O-N 2.85Å; S9-L13 WeakPolarHBondContact O-CB 3.39Å; S9-L13 PolarHBondContact O-N 2.98Å; S9-E15 CarbonylContact C-O 3.52Å; S9-L17 PolarHBondContact OG-N 2.95Å
10I75.7Confident72.9Confident103 Ų10367.9 Ų67.953%0.52835%0.354SS..Hα-helixtrans-61-44.3177.1-62.6173.3000110.3N8 L12 G14 E15 P16N8-I10 PolarHBondContact O-N 2.71Å; I10-L12 PolarHBondContact O-N 2.77Å; I10-G14 CarbonylContact O-C 3.29Å; I10-G14 WeakPolarHBondContact O-CA 3.35Å; I10-G14 PolarHBondContact O-N 2.75Å; I10-E15 PolarHBondContact N-O 2.83Å; I10-P16 HydrophobicContact CD1-CG 4.3Å; I10-P16 HydrophobicContact CG1-CG 4.1Å
11D75.9Confident72.9Confident142 Ų14270.4 Ų70.476%0.75936%0.359SS*.Hα-helixtrans-69-34.1179-61.7-25.1000112.5N8 S9N8-D11 PolarHBondContact O-N 2.78Å; S9-D11 VanDerWaalsContact C-N 3.32Å; S9-D11 PolarHBondContact O-N 2.83Å
12L73.7Confident73.8Confident26 Ų2665.6 Ų65.614%0.13634%0.337CS..Hα-helixtrans-82.3-44.3-176.7-69.5168000113.2N8 S9 I10 V49 M57 V59N8-L12 HydrophobicContact CB-CD1 3.65Å; N8-L12 HydrophobicContact CB-CG 4.09Å; N8-L12 WeakPolarHBondContact O-CB 3.31Å; N8-L12 VanDerWaalsContact O-CG 3.24Å; N8-L12 WeakPolarHBondContact O-CG 3.38Å; N8-L12 PolarHBondContact O-N 2.93Å; S9-L12 PolarHBondContact O-N 2.85Å; I10-L12 PolarHBondContact O-N 2.77Å; L12-V49 HydrophobicContact CD1-CG1 4.49Å; L12-M57 HydrophobicContact CD1-CB 3.79Å; L12-V59 HydrophobicContact CB-CG2 4.25Å; L12-V59 HydrophobicContact CD2-CG2 3.99Å; L12-V59 WeakPolarHBondContact O-CG2 3.48Å
13L75.2Confident74.7Confident7 Ų763.8 Ų63.84%0.03733%0.329CS..Hα-helixtrans-106.7-13-169.2-50.9179000112S9 E15 L17 I40 Y47S9-L13 WeakPolarHBondContact O-CB 3.39Å; S9-L13 PolarHBondContact O-N 2.98Å; L13-E15 HydrophobicContact CB-CG 4.34Å; L13-L17 HydrophobicContact CD1-CD1 3.77Å; L13-I40 HydrophobicContact CD1-CG2 4.06Å; L13-I40 HydrophobicContact CD2-CD1 4.47Å; L13-I40 HydrophobicContact CD2-CG2 4.32Å; L13-Y47 HydrophobicContact CB-CE2 4.45Å; L13-Y47 HydrophobicContact CD2-CD1 4.05Å; L13-Y47 HydrophobicContact CD2-CD2 3.59Å; L13-Y47 HydrophobicContact CD2-CE1 4.32Å; L13-Y47 HydrophobicContact CD2-CE2 3.87Å; L13-Y47 HydrophobicContact CD2-CG 3.67Å; L13-Y47 PolarHBondContact O-OH 2.99Å; L13-Y47 VanDerWaalsContact O-OH 3.06Å
14G73.7Confident75.6Confident65 Ų6560.8 Ų60.867%0.6731%0.308SS*.SBendtrans78.32.4-16700000113.3I10I10-G14 CarbonylContact O-C 3.29Å; I10-G14 WeakPolarHBondContact O-CA 3.35Å; I10-G14 PolarHBondContact O-N 2.75Å
15E74.1Confident76.4Confident17 Ų1763.3 Ų63.38%0.07932%0.322CS..SBendtrans-156.6160.5-177.465-172.3116.600113.2S9 I10 L13 K19 S42 K43S9-E15 CarbonylContact C-O 3.52Å; I10-E15 PolarHBondContact N-O 2.83Å; L13-E15 HydrophobicContact CB-CG 4.34Å; E15-K19 HydrophobicContact CB-CD 4.42Å; E15-K19 HydrophobicContact CG-CB 4.24Å; E15-K19 VanDerWaalsContact OE2-CB 3.25Å; E15-K19 WeakPolarHBondContact OE2-CB 3.32Å; E15-K19 WeakPolarHBondContact OE2-CD 3.31Å; E15-S42 PolarHBondContact OE1-OG 2.72Å; E15-K43 IonicContact OE1-NZ 2.75Å; E15-K43 PolarHBondContact OE1-NZ 2.96Å; E15-K43 WeakPolarHBondContact OE2-CE 3.28Å; E15-K43 IonicContact OE2-NZ 2.65Å; E15-K43 PolarHBondContact OE2-NZ 2.88Å
16P71.8Confident77.5Confident21 Ų2163.5 Ų63.514%0.13632%0.323CS..  trans-60.2144.4177.5-23.133.4000112.9I10 W18 K19I10-P16 HydrophobicContact CD1-CG 4.3Å; I10-P16 HydrophobicContact CG1-CG 4.1Å; P16-W18 HydrophobicContact CB-CD2 3.57Å; P16-W18 HydrophobicContact CB-CE3 3.99Å; P16-W18 HydrophobicContact CB-CG 4.18Å; P16-W18 HydrophobicContact CB-CH2 3.8Å; P16-W18 HydrophobicContact CB-CZ2 3.35Å; P16-W18 HydrophobicContact CB-CZ3 4.1Å; P16-W18 HydrophobicContact CG-CH2 4.27Å; P16-W18 HydrophobicContact CG-CZ2 3.62Å; P16-W18 PolarHBondContact O-N 2.81Å; P16-W18 VanDerWaalsContact O-N 3.12Å; P16-K19 WeakPolarHBondContact O-CB 3.4Å; P16-K19 PolarHBondContact O-N 2.71Å
17L69Low78.4Confident15 Ų1562.6 Ų62.68%0.07932%0.319CS..G310 helixtrans-58.8-30.4-176.8-170.263.9000113.3L2 I5 Q6 S9 L13 K19 A20 I40L2-L17 HydrophobicContact CD1-CD2 3.91Å; I5-L17 HydrophobicContact CB-CD2 4.29Å; I5-L17 HydrophobicContact CG2-CD1 3.73Å; I5-L17 HydrophobicContact CG2-CD2 3.85Å; I5-L17 HydrophobicContact CG2-CG 4.37Å; Q6-L17 HydrophobicContact CB-CD2 4.31Å; Q6-L17 HydrophobicContact CG-CB 4.22Å; Q6-L17 HydrophobicContact CG-CD2 3.34Å; Q6-L17 HydrophobicContact CG-CG 4.37Å; S9-L17 PolarHBondContact OG-N 2.95Å; L13-L17 HydrophobicContact CD1-CD1 3.77Å; L17-K19 PolarHBondContact O-N 3.48Å; L17-K19 VanDerWaalsContact O-N 3.13Å; L17-A20 HydrophobicContact CD1-CB 3.95Å; L17-A20 WeakPolarHBondContact O-CA 3.42Å; L17-A20 WeakPolarHBondContact O-CB 3.02Å; L17-A20 PolarHBondContact O-N 3.21Å; L17-I40 HydrophobicContact CD1-CD1 4.27Å; L17-I40 HydrophobicContact CD1-CG2 4.38Å
18W67.7Low79.2Confident209 Ų20955.2 Ų55.279%0.79229%0.288SS*.G310 helixtrans-66.9-9.4176.959.374.3000113.6P16P16-W18 HydrophobicContact CB-CD2 3.57Å; P16-W18 HydrophobicContact CB-CE3 3.99Å; P16-W18 HydrophobicContact CB-CG 4.18Å; P16-W18 HydrophobicContact CB-CH2 3.8Å; P16-W18 HydrophobicContact CB-CZ2 3.35Å; P16-W18 HydrophobicContact CB-CZ3 4.1Å; P16-W18 HydrophobicContact CG-CH2 4.27Å; P16-W18 HydrophobicContact CG-CZ2 3.62Å; P16-W18 PolarHBondContact O-N 2.81Å; P16-W18 VanDerWaalsContact O-N 3.12Å
19K69Low79.7Confident112 Ų11257.3 Ų57.349%0.48730%0.299SS..G310 helixtrans-91.7-1.3167.4-60.1-168.3179.9-179.20112.9E15 P16 L17E15-K19 HydrophobicContact CB-CD 4.42Å; E15-K19 HydrophobicContact CG-CB 4.24Å; E15-K19 VanDerWaalsContact OE2-CB 3.25Å; E15-K19 WeakPolarHBondContact OE2-CB 3.32Å; E15-K19 WeakPolarHBondContact OE2-CD 3.31Å; P16-K19 WeakPolarHBondContact O-CB 3.4Å; P16-K19 PolarHBondContact O-N 2.71Å; L17-K19 PolarHBondContact O-N 3.48Å; L17-K19 VanDerWaalsContact O-N 3.13Å
20A74Confident80.2Confident20 Ų2061.8 Ų61.817%0.16532%0.318CS..EExtended strand (participates in β ladder)trans-76.3134.5167.600000109.4L17 C22 I40 I41L17-A20 HydrophobicContact CD1-CB 3.95Å; L17-A20 WeakPolarHBondContact O-CA 3.42Å; L17-A20 WeakPolarHBondContact O-CB 3.02Å; L17-A20 PolarHBondContact O-N 3.21Å; A20-C22 VanDerWaalsContact C-N 3.32Å; A20-I40 HydrophobicContact CB-CG2 3.73Å; A20-I41 CarbonylContact C-O 3.46Å; A20-I41 WeakPolarHBondContact CA-O 3.35Å
21Y72.8Confident80.7Confident120 Ų12066.1 Ų66.147%0.47134%0.336SS..EExtended strand (participates in β ladder)trans-77.6-23.6179.1-69-86.8000112.2I41 K43 Y115Y21-I41 PolarHBondContact N-O 2.86Å; Y21-K43 VanDerWaalsContact CD2-N 3.33Å; Y21-K43 HydrophobicContact CE2-CB 4.47Å; Y21-K43 HydrophobicContact CE2-CG 4.27Å; Y21-K43 VanDerWaalsContact CE2-N 3.27Å; Y21-Y115 HydrophobicContact CE2-CE2 4.27Å; Y21-Y115 PolarHBondContact OH-OH 2.95Å
22C85.4Confident81.2Confident9 Ų962.5 Ų62.56%0.06133%0.333CS..EExtended strand (participates in β ladder)trans-156.5142.7-174-162.90000110.6A20 I40 I41 S107A20-C22 VanDerWaalsContact C-N 3.32Å; C22-I40 VanDerWaalsContact O-CA 3.32Å; C22-I40 WeakPolarHBondContact O-CA 3.48Å; C22-I40 WeakPolarHBondContact O-CG2 3.29Å; C22-I41 HydrophobicContact CB-CB 4.04Å; C22-I41 HydrophobicContact CB-CD1 4.47Å; C22-I41 HydrophobicContact CB-CG1 4.39Å; C22-I41 PolarHBondContact N-O 2.8Å; C22-I41 PolarHBondContact O-N 2.87Å; C22-I41 VanDerWaalsContact O-N 3.09Å; C22-S107 VanDerWaalsContact CB-CB 3.48Å; C22-S107 WeakPolarHBondContact CB-OG 3.16Å
23T88.2Confident82Confident45 Ų4567.9 Ų67.928%0.27636%0.355SS..EExtended strand (participates in β ladder)trans-142.2110.2166.5-65.50000107.5L2 F38 L39 I40L2-T23 HydrophobicContact CD1-CG2 3.93Å; T23-F38 HydrophobicContact CG2-CD1 3.94Å; T23-L39 WeakPolarHBondContact CA-O 2.92Å; T23-I40 HydrophobicContact CG2-CD1 4.41Å; T23-I40 HydrophobicContact CG2-CG1 4.1Å
24V91Very high82.7Confident7 Ų772.8 Ų72.84%0.04238%0.38CS..EExtended strand (participates in β ladder)trans-115.1129.7176.9-63.70000110V26 F38 L39 A100 T103 L104V24-V26 HydrophobicContact CG2-CG1 4.11Å; V24-F38 WeakPolarHBondContact O-CA 3.14Å; V24-L39 HydrophobicContact CG2-CB 3.71Å; V24-L39 HydrophobicContact CG2-CD1 4.42Å; V24-L39 HydrophobicContact CG2-CG 4.42Å; V24-L39 PolarHBondContact N-O 2.99Å; V24-L39 PolarHBondContact O-N 2.83Å; V24-A100 HydrophobicContact CB-CB 4.24Å; V24-A100 HydrophobicContact CG1-CB 4.32Å; V24-T103 HydrophobicContact CG1-CG2 4.41Å; V24-L104 HydrophobicContact CG2-CB 4.15Å; V24-L104 HydrophobicContact CG2-CD1 4Å; V24-L104 HydrophobicContact CG2-CG 4.46Å
25P91.1Very high83.6Confident77 Ų7772.1 Ų72.150%0.536%0.359SS..EExtended strand (participates in β ladder)trans-71136.9167.531.1-32.1000108.8F38P25-F38 HydrophobicContact CB-CD1 4.26Å; P25-F38 HydrophobicContact CB-CE1 3.92Å
26V93.9Very high84.4Confident4 Ų473.8 Ų73.82%0.02437%0.371CS..EExtended strand (participates in β ladder)trans-138.7163.7173.2-54.20000109.1V24 R37 L39 F94 Y95 C96V24-V26 HydrophobicContact CG2-CG1 4.11Å; V26-R37 HydrophobicContact CG2-CB 3.78Å; V26-R37 PolarHBondContact N-O 2.8Å; V26-R37 PolarHBondContact O-N 2.85Å; V26-L39 HydrophobicContact CG1-CD1 3.73Å; V26-L39 HydrophobicContact CG1-CG 3.97Å; V26-L39 HydrophobicContact CG2-CD1 4.16Å; V26-L39 HydrophobicContact CG2-CD2 4.42Å; V26-L39 HydrophobicContact CG2-CG 3.85Å; V26-F94 HydrophobicContact CB-CB 3.94Å; V26-F94 HydrophobicContact CB-CD1 4.33Å; V26-F94 HydrophobicContact CB-CG 4.42Å; V26-F94 HydrophobicContact CG1-CB 4.38Å; V26-F94 HydrophobicContact CG2-CB 3.96Å; V26-F94 HydrophobicContact CG2-CD1 3.41Å; V26-F94 VanDerWaalsContact CG2-CD1 3.41Å; V26-F94 HydrophobicContact CG2-CE1 4.16Å; V26-F94 HydrophobicContact CG2-CG 3.9Å; V26-Y95 WeakPolarHBondContact CA-O 3.14Å; V26-C96 HydrophobicContact CB-CB 4.31Å; V26-C96 HydrophobicContact CG1-CB 3.89Å
27E94.2Very high85.4Confident88 Ų8873.3 Ų73.341%0.41137%0.366SS..EExtended strand (participates in β ladder)trans-115.2152175.1-60.2-177.5155.100110.3I34 E35 F94 Y95E27-I34 HydrophobicContact CB-CG2 3.91Å; E27-I34 HydrophobicContact CG-CG2 4.13Å; E27-I34 WeakPolarHBondContact OE2-CG2 3.5Å; E27-E35 WeakPolarHBondContact CA-O 3.23Å; E27-F94 CarbonylContact O-C 3.57Å; E27-F94 VanDerWaalsContact O-CA 3.31Å; E27-F94 WeakPolarHBondContact O-CA 3.42Å; E27-Y95 PolarHBondContact N-O 2.91Å; E27-Y95 PolarHBondContact O-N 3.3Å
28I92.9Very high86.5Confident24 Ų2473.3 Ų73.312%0.12337%0.365CS..EExtended strand (participates in β ladder)trans-124.5145.9169.165172.1000108.9K30 I34 E35 R37 F94I28-K30 HydrophobicContact CD1-CB 4.49Å; I28-I34 WeakPolarHBondContact O-CA 3.35Å; I28-E35 HydrophobicContact CG1-CB 4.13Å; I28-E35 PolarHBondContact N-O 2.84Å; I28-E35 PolarHBondContact O-N 3.34Å; I28-R37 HydrophobicContact CD1-CG 4.09Å; I28-R37 VanDerWaalsContact CD1-CZ 3.47Å; I28-R37 HydrophobicContact CG1-CG 4.1Å; I28-R37 HydrophobicContact CG2-CG 3.99Å; I28-F94 HydrophobicContact CG2-CD1 3.38Å; I28-F94 HydrophobicContact CG2-CE1 3.66Å; I28-F94 HydrophobicContact CG2-CG 4.47Å
29N89.2Confident87.7Confident87 Ų8763.3 Ų63.347%0.46533%0.328SS..EExtended strand (participates in β ladder)trans-94.7104.6167.4-173.2-18.6000108.8G32 Y95N29-G32 WeakPolarHBondContact OD1-CA 3.34Å; N29-G32 PolarHBondContact OD1-N 3.28Å; N29-Y95 HydrophobicContact CB-CE2 3.96Å
30K85.5Confident88.7Confident99 Ų9958 Ų5843%0.4331%0.305SS..EExtended strand (participates in β ladder)trans-107.1108.3174.8-170.1174.8-178.3175.10108.8I28 G32 K33I28-K30 HydrophobicContact CD1-CB 4.49Å; K30-G32 VanDerWaalsContact C-N 3.26Å; K30-G32 PolarHBondContact O-N 3.31Å; K30-K33 PolarHBondContact N-O 2.82Å; K30-K33 WeakPolarHBondContact O-CB 3.4Å; K30-K33 PolarHBondContact O-N 3.17Å
31Q87.3Confident89.4Confident194 Ų19457 Ų5791%0.90730%0.297SS*.THydrogen-bonded Turntrans55.238.6176-59.1175.2-20.400113.4K33Q31-K33 VanDerWaalsContact C-N 3.3Å; Q31-K33 PolarHBondContact O-N 2.9Å
32G86.5Confident90.1Very high67 Ų6751.4 Ų51.469%0.69128%0.275SS*.THydrogen-bonded Turntrans85.4-3-179.100000114.5N29 K30N29-G32 WeakPolarHBondContact OD1-CA 3.34Å; N29-G32 PolarHBondContact OD1-N 3.28Å; K30-G32 VanDerWaalsContact C-N 3.26Å; K30-G32 PolarHBondContact O-N 3.31Å
33K90.3Very high90Very high138 Ų13854.3 Ų54.360%0.629%0.286SS*.EExtended strand (participates in β ladder)trans-102.7126.6175.1-170.2-179.7179-1740110.7K30 Q31 E35K30-K33 PolarHBondContact N-O 2.82Å; K30-K33 WeakPolarHBondContact O-CB 3.4Å; K30-K33 PolarHBondContact O-N 3.17Å; Q31-K33 VanDerWaalsContact C-N 3.3Å; Q31-K33 PolarHBondContact O-N 2.9Å; K33-E35 HydrophobicContact CD-CG 4.36Å; K33-E35 HydrophobicContact CG-CG 4.26Å
34I90.3Very high89.8Confident110 Ų11055.8 Ų55.856%0.56429%0.289SS*.EExtended strand (participates in β ladder)trans-76.8125.1171.4-59.8177.8000108.4E27 I28E27-I34 HydrophobicContact CB-CG2 3.91Å; E27-I34 HydrophobicContact CG-CG2 4.13Å; E27-I34 WeakPolarHBondContact OE2-CG2 3.5Å; I28-I34 WeakPolarHBondContact O-CA 3.35Å
35E91.7Very high89.8Confident51 Ų5161.1 Ų61.124%0.23831%0.308CS..EExtended strand (participates in β ladder)trans-129133.6176.7-55.1-172.9164.700111.4E27 I28 K33 R37E27-E35 WeakPolarHBondContact CA-O 3.23Å; I28-E35 HydrophobicContact CG1-CB 4.13Å; I28-E35 PolarHBondContact N-O 2.84Å; I28-E35 PolarHBondContact O-N 3.34Å; K33-E35 HydrophobicContact CD-CG 4.36Å; K33-E35 HydrophobicContact CG-CG 4.26Å; E35-R37 IonicContact OE2-CZ 3.24Å; E35-R37 VanDerWaalsContact OE2-CZ 3.24Å; E35-R37 IonicContact OE2-NH1 2.89Å; E35-R37 PolarHBondContact OE2-NH1 3.36Å; E35-R37 IonicContact OE2-NH2 2.72Å; E35-R37 PolarHBondContact OE2-NH2 3.5Å
36T91.5Very high89.7Confident52 Ų5257.5 Ų57.532%0.31929%0.285SS..EExtended strand (participates in β ladder)trans-73.1138.9176.3-46.10000111.3M1 F38 P51M1-T36 HydrophobicContact SD-CG2 4.46Å; T36-F38 HydrophobicContact CG2-CE2 4.12Å; T36-F38 HydrophobicContact CG2-CZ 4.24Å; T36-P51 VanDerWaalsContact O-CD 3.29Å; T36-P51 WeakPolarHBondContact O-CD 3.38Å
37R92.1Very high89.6Confident11 Ų1157.7 Ų57.74%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-131.4164.1171.7-62.5-61.5-172.8-88.71.8109.5V26 I28 E35 V48 V49 C50 E60V26-R37 HydrophobicContact CG2-CB 3.78Å; V26-R37 PolarHBondContact N-O 2.8Å; V26-R37 PolarHBondContact O-N 2.85Å; I28-R37 HydrophobicContact CD1-CG 4.09Å; I28-R37 VanDerWaalsContact CD1-CZ 3.47Å; I28-R37 HydrophobicContact CG1-CG 4.1Å; I28-R37 HydrophobicContact CG2-CG 3.99Å; E35-R37 IonicContact OE2-CZ 3.24Å; E35-R37 VanDerWaalsContact OE2-CZ 3.24Å; E35-R37 IonicContact OE2-NH1 2.89Å; E35-R37 PolarHBondContact OE2-NH1 3.36Å; E35-R37 IonicContact OE2-NH2 2.72Å; E35-R37 PolarHBondContact OE2-NH2 3.5Å; R37-V48 HydrophobicContact CB-CG1 4.27Å; R37-V48 HydrophobicContact CG-CG1 4.35Å; R37-V49 CarbonylContact C-O 3.53Å; R37-V49 WeakPolarHBondContact CA-O 3.42Å; R37-C50 VanDerWaalsContact NE-CB 3.33Å; R37-E60 IonicContact CZ-OE2 3.45Å; R37-E60 IonicContact NE-OE2 2.71Å; R37-E60 PolarHBondContact NE-OE2 3.11Å; R37-E60 IonicContact NH2-OE2 3.34Å; R37-E60 PolarHBondContact NH2-OE2 3.22Å
38F91.7Very high89.4Confident15 Ų1553.7 Ų53.77%0.06627%0.267CS..EExtended strand (participates in β ladder)trans-123.1127.2170-63.2-95.2000108.7M1 I5 T23 V24 P25 T36 I40 V48 V49 M57M1-F38 HydrophobicContact CB-CE2 4.49Å; M1-F38 HydrophobicContact CB-CZ 4.03Å; M1-F38 HydrophobicContact CG-CE2 3.74Å; M1-F38 HydrophobicContact CG-CZ 3.78Å; M1-F38 HydrophobicContact SD-CD2 4.48Å; M1-F38 HydrophobicContact SD-CE2 3.23Å; M1-F38 WeakPolarHBondContact SD-CE2 3.49Å; M1-F38 HydrophobicContact SD-CZ 3.5Å; M1-F38 WeakPolarHBondContact SD-CZ 3.2Å; I5-F38 HydrophobicContact CD1-CB 4.12Å; I5-F38 HydrophobicContact CD1-CD1 3.79Å; I5-F38 HydrophobicContact CD1-CD2 3.71Å; I5-F38 HydrophobicContact CD1-CE1 4.16Å; I5-F38 HydrophobicContact CD1-CE2 4.13Å; I5-F38 HydrophobicContact CD1-CG 3.55Å; I5-F38 HydrophobicContact CD1-CZ 4.34Å; T23-F38 HydrophobicContact CG2-CD1 3.94Å; V24-F38 WeakPolarHBondContact O-CA 3.14Å; P25-F38 HydrophobicContact CB-CD1 4.26Å; P25-F38 HydrophobicContact CB-CE1 3.92Å; T36-F38 HydrophobicContact CG2-CE2 4.12Å; T36-F38 HydrophobicContact CG2-CZ 4.24Å; F38-I40 HydrophobicContact CB-CD1 4.4Å; F38-I40 HydrophobicContact CB-CG1 4.13Å; F38-V48 WeakPolarHBondContact O-CA 2.81Å; F38-V49 HydrophobicContact CB-CB 4.36Å; F38-V49 PolarHBondContact N-O 3.1Å; F38-V49 PolarHBondContact O-N 3.39Å; F38-M57 HydrophobicContact CD2-CE 3.73Å; F38-M57 HydrophobicContact CE2-CE 3.84Å
39L92.5Very high89.3Confident0 Ų052.5 Ų52.50%026%0.261CS..EExtended strand (participates in β ladder)trans-91.3120166.4-56.7177.4000107.6T23 V24 V26 L46 Y47 V48 L78 F94 L104T23-L39 WeakPolarHBondContact CA-O 2.92Å; V24-L39 HydrophobicContact CG2-CB 3.71Å; V24-L39 HydrophobicContact CG2-CD1 4.42Å; V24-L39 HydrophobicContact CG2-CG 4.42Å; V24-L39 PolarHBondContact N-O 2.99Å; V24-L39 PolarHBondContact O-N 2.83Å; V26-L39 HydrophobicContact CG1-CD1 3.73Å; V26-L39 HydrophobicContact CG1-CG 3.97Å; V26-L39 HydrophobicContact CG2-CD1 4.16Å; V26-L39 HydrophobicContact CG2-CD2 4.42Å; V26-L39 HydrophobicContact CG2-CG 3.85Å; L39-L46 HydrophobicContact CB-CD1 4.38Å; L39-Y47 WeakPolarHBondContact CA-O 3.45Å; L39-V48 HydrophobicContact CD2-CB 4.34Å; L39-V48 HydrophobicContact CD2-CG1 4.3Å; L39-V48 HydrophobicContact CD2-CG2 3.73Å; L39-L78 HydrophobicContact CD1-CD2 4.1Å; L39-F94 HydrophobicContact CD1-CD2 4.02Å; L39-F94 HydrophobicContact CD1-CE2 4.22Å; L39-F94 HydrophobicContact CD1-CG 4.25Å; L39-F94 HydrophobicContact CD2-CE1 4.01Å; L39-F94 HydrophobicContact CD2-CE2 4.05Å; L39-F94 HydrophobicContact CD2-CZ 3.76Å; L39-L104 HydrophobicContact CB-CD1 3.95Å; L39-L104 HydrophobicContact CB-CD2 4.36Å; L39-L104 HydrophobicContact CD1-CD2 3.56Å
40I90.9Very high89.4Confident0 Ų049.3 Ų49.30%025%0.245CC..EExtended strand (participates in β ladder)trans-121.7123.1-177.2-54.6-177.8000108.4I5 L13 L17 A20 C22 T23 F38 L46 Y47 V49I5-I40 HydrophobicContact CD1-CD1 4.43Å; I5-I40 HydrophobicContact CG2-CD1 3.79Å; L13-I40 HydrophobicContact CD1-CG2 4.06Å; L13-I40 HydrophobicContact CD2-CD1 4.47Å; L13-I40 HydrophobicContact CD2-CG2 4.32Å; L17-I40 HydrophobicContact CD1-CD1 4.27Å; L17-I40 HydrophobicContact CD1-CG2 4.38Å; A20-I40 HydrophobicContact CB-CG2 3.73Å; C22-I40 VanDerWaalsContact O-CA 3.32Å; C22-I40 WeakPolarHBondContact O-CA 3.48Å; C22-I40 WeakPolarHBondContact O-CG2 3.29Å; T23-I40 HydrophobicContact CG2-CD1 4.41Å; T23-I40 HydrophobicContact CG2-CG1 4.1Å; F38-I40 HydrophobicContact CB-CD1 4.4Å; F38-I40 HydrophobicContact CB-CG1 4.13Å; I40-L46 CarbonylContact O-C 3.52Å; I40-L46 WeakPolarHBondContact O-CA 3.49Å; I40-Y47 PolarHBondContact N-O 3.23Å; I40-Y47 PolarHBondContact O-N 2.84Å; I40-V49 HydrophobicContact CD1-CB 4.37Å; I40-V49 HydrophobicContact CD1-CG2 3.72Å; I40-V49 HydrophobicContact CG1-CG2 4.28Å
41I89.2Confident89.4Confident0 Ų047.2 Ų47.20%024%0.242CC..EExtended strand (participates in β ladder)trans-100.3121.6170.7-61.2175.3000107.8A20 Y21 C22 R45 L46 V65 L104 L108 S111A20-I41 CarbonylContact C-O 3.46Å; A20-I41 WeakPolarHBondContact CA-O 3.35Å; Y21-I41 PolarHBondContact N-O 2.86Å; C22-I41 HydrophobicContact CB-CB 4.04Å; C22-I41 HydrophobicContact CB-CD1 4.47Å; C22-I41 HydrophobicContact CB-CG1 4.39Å; C22-I41 PolarHBondContact N-O 2.8Å; C22-I41 PolarHBondContact O-N 2.87Å; C22-I41 VanDerWaalsContact O-N 3.09Å; I41-R45 WeakPolarHBondContact CA-O 2.98Å; I41-L46 HydrophobicContact CD1-CD1 4.24Å; I41-L46 HydrophobicContact CG1-CD1 3.46Å; I41-L46 VanDerWaalsContact CG1-CD1 3.46Å; I41-V65 HydrophobicContact CG2-CG1 4.46Å; I41-L104 HydrophobicContact CD1-CD1 3.56Å; I41-L104 HydrophobicContact CD1-CG 4.22Å; I41-L104 HydrophobicContact CG1-CD1 3.85Å; I41-L108 HydrophobicContact CD1-CB 3.72Å; I41-L108 HydrophobicContact CD1-CD1 4.35Å; I41-S111 VanDerWaalsContact CG2-OG 3.29Å; I41-S111 WeakPolarHBondContact CG2-OG 3.47Å
42S86.8Confident89.1Confident1 Ų143.8 Ų43.81%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-134.3119.2173.8-1730000109.5E15 F44 R45E15-S42 PolarHBondContact OE1-OG 2.72Å; S42-F44 PolarHBondContact O-N 2.87Å; S42-F44 VanDerWaalsContact O-N 3.14Å; S42-R45 PolarHBondContact N-O 3.38Å; S42-R45 PolarHBondContact O-N 2.86Å
43K83.5Confident88.9Confident71 Ų7149.7 Ų49.731%0.30924%0.238SC..THydrogen-bonded Turntrans48.8-113.8-169.1-53.6-164.9-173.595.80112.3E15 Y21 S111 Y115E15-K43 IonicContact OE1-NZ 2.75Å; E15-K43 PolarHBondContact OE1-NZ 2.96Å; E15-K43 WeakPolarHBondContact OE2-CE 3.28Å; E15-K43 IonicContact OE2-NZ 2.65Å; E15-K43 PolarHBondContact OE2-NZ 2.88Å; Y21-K43 VanDerWaalsContact CD2-N 3.33Å; Y21-K43 HydrophobicContact CE2-CB 4.47Å; Y21-K43 HydrophobicContact CE2-CG 4.27Å; Y21-K43 VanDerWaalsContact CE2-N 3.27Å; K43-S111 WeakPolarHBondContact O-CB 3.25Å; K43-S111 PolarHBondContact O-OG 2.83Å; K43-Y115 HydrophobicContact CB-CE1 4.37Å; K43-Y115 HydrophobicContact CB-CE2 3.88Å; K43-Y115 WeakPolarHBondContact CG-OH 3.43Å; K43-Y115 WeakPolarHBondContact O-CE2 3.34Å
44F84.8Confident88.4Confident76 Ų7648.2 Ų48.233%0.33324%0.241SC..THydrogen-bonded Turntrans-99.816.9-179.956.2-92000112.6S42 N64 V65 Y115 F116S42-F44 PolarHBondContact O-N 2.87Å; S42-F44 VanDerWaalsContact O-N 3.14Å; F44-N64 WeakPolarHBondContact O-CA 3.32Å; F44-N64 PolarHBondContact O-OD1 2.78Å; F44-V65 HydrophobicContact CB-CG2 4.2Å; F44-V65 WeakPolarHBondContact O-CG2 3.15Å; F44-V65 PolarHBondContact O-N 3.36Å; F44-Y115 HydrophobicContact CB-CD2 4.4Å; F44-Y115 HydrophobicContact CB-CG 4.34Å; F44-F116 HydrophobicContact CB-CE2 3.76Å; F44-F116 HydrophobicContact CB-CZ 3.96Å
45R89.2Confident87.8Confident118 Ų11846 Ų4645%0.44525%0.245SC..EExtended strand (participates in β ladder)trans-123138.2-179.2-68.3-177.7176.6-175.81.5112.5I41 S42 Y47 H63I41-R45 WeakPolarHBondContact CA-O 2.98Å; S42-R45 PolarHBondContact N-O 3.38Å; S42-R45 PolarHBondContact O-N 2.86Å; R45-Y47 HydrophobicContact CB-CD2 4.24Å; R45-Y47 HydrophobicContact CB-CE2 3.52Å; R45-Y47 WeakPolarHBondContact CD-OH 3.32Å; R45-Y47 PolarHBondContact NH1-OH 2.93Å; R45-H63 CarbonylContact C-O 3.5Å; R45-H63 WeakPolarHBondContact CA-O 3.38Å
46L90.5Very high87.2Confident2 Ų249.8 Ų49.81%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-104.3130.4165.9179.877.4000109.2L39 I40 I41 A62 H63 F80 L104L39-L46 HydrophobicContact CB-CD1 4.38Å; I40-L46 CarbonylContact O-C 3.52Å; I40-L46 WeakPolarHBondContact O-CA 3.49Å; I41-L46 HydrophobicContact CD1-CD1 4.24Å; I41-L46 HydrophobicContact CG1-CD1 3.46Å; I41-L46 VanDerWaalsContact CG1-CD1 3.46Å; L46-A62 CarbonylContact O-C 3.52Å; L46-A62 WeakPolarHBondContact O-CA 3.39Å; L46-H63 PolarHBondContact N-O 2.88Å; L46-H63 PolarHBondContact O-N 3.23Å; L46-F80 HydrophobicContact CD2-CD1 4.46Å; L46-F80 HydrophobicContact CD2-CD2 4.36Å; L46-F80 HydrophobicContact CD2-CE1 3.55Å; L46-F80 HydrophobicContact CD2-CE2 3.46Å; L46-F80 VanDerWaalsContact CD2-CE2 3.46Å; L46-F80 HydrophobicContact CD2-CZ 2.97Å; L46-F80 HydrophobicContact CG-CZ 4.43Å; L46-L104 HydrophobicContact CD1-CD1 4.06Å
47Y90.7Very high86.8Confident8 Ų847.9 Ų47.93%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-115.8135.9176.8-59-91.8000110.4L13 L39 I40 R45 V59 V61 A62L13-Y47 HydrophobicContact CB-CE2 4.45Å; L13-Y47 HydrophobicContact CD2-CD1 4.05Å; L13-Y47 HydrophobicContact CD2-CD2 3.59Å; L13-Y47 HydrophobicContact CD2-CE1 4.32Å; L13-Y47 HydrophobicContact CD2-CE2 3.87Å; L13-Y47 HydrophobicContact CD2-CG 3.67Å; L13-Y47 PolarHBondContact O-OH 2.99Å; L13-Y47 VanDerWaalsContact O-OH 3.06Å; L39-Y47 WeakPolarHBondContact CA-O 3.45Å; I40-Y47 PolarHBondContact N-O 3.23Å; I40-Y47 PolarHBondContact O-N 2.84Å; R45-Y47 HydrophobicContact CB-CD2 4.24Å; R45-Y47 HydrophobicContact CB-CE2 3.52Å; R45-Y47 WeakPolarHBondContact CD-OH 3.32Å; R45-Y47 PolarHBondContact NH1-OH 2.93Å; Y47-V59 HydrophobicContact CD1-CG1 4.04Å; Y47-V59 HydrophobicContact CD1-CG2 4.23Å; Y47-V61 CarbonylContact C-O 3.55Å; Y47-V61 WeakPolarHBondContact CA-O 3.37Å; Y47-A62 HydrophobicContact CD1-CB 3.72Å; Y47-A62 HydrophobicContact CE1-CB 3.8Å
48V90.9Very high86.4Confident3 Ų347.5 Ų47.52%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-99.8111.6163.3-172.70000106.8R37 F38 L39 E60 V61 M92 F94R37-V48 HydrophobicContact CB-CG1 4.27Å; R37-V48 HydrophobicContact CG-CG1 4.35Å; F38-V48 WeakPolarHBondContact O-CA 2.81Å; L39-V48 HydrophobicContact CD2-CB 4.34Å; L39-V48 HydrophobicContact CD2-CG1 4.3Å; L39-V48 HydrophobicContact CD2-CG2 3.73Å; V48-E60 PolarHBondContact O-N 3.21Å; V48-V61 HydrophobicContact CB-CB 4.19Å; V48-V61 HydrophobicContact CB-CG2 4.26Å; V48-V61 HydrophobicContact CG2-CB 4.09Å; V48-V61 HydrophobicContact CG2-CG2 4.28Å; V48-V61 PolarHBondContact N-O 2.92Å; V48-V61 PolarHBondContact O-N 3.28Å; V48-M92 HydrophobicContact CG2-CE 4.24Å; V48-F94 HydrophobicContact CG1-CE1 4.22Å; V48-F94 HydrophobicContact CG1-CZ 4.44Å; V48-F94 HydrophobicContact CG2-CZ 4.14Å
49V90.9Very high86.2Confident0 Ų049.5 Ų49.50%026%0.261CS..EExtended strand (participates in β ladder)trans-110.2132.5-177.5-171.10000109.7L12 R37 F38 I40 M57 G58L12-V49 HydrophobicContact CD1-CG1 4.49Å; R37-V49 CarbonylContact C-O 3.53Å; R37-V49 WeakPolarHBondContact CA-O 3.42Å; F38-V49 HydrophobicContact CB-CB 4.36Å; F38-V49 PolarHBondContact N-O 3.1Å; F38-V49 PolarHBondContact O-N 3.39Å; I40-V49 HydrophobicContact CD1-CB 4.37Å; I40-V49 HydrophobicContact CD1-CG2 3.72Å; I40-V49 HydrophobicContact CG1-CG2 4.28Å; V49-M57 HydrophobicContact CG1-CB 3.88Å; V49-M57 HydrophobicContact CG1-CE 3.93Å; V49-G58 CarbonylContact C-O 3.48Å; V49-G58 WeakPolarHBondContact CA-O 3.42Å; V49-G58 WeakPolarHBondContact CG1-O 3.39Å
50C90Very high85.8Confident20 Ų2053.8 Ų53.814%0.13528%0.281CS..EExtended strand (participates in β ladder)trans-121.2151.5-179.965.50000111.4R37 M57 G58R37-C50 VanDerWaalsContact NE-CB 3.33Å; C50-M57 CarbonylContact O-C 3.55Å; C50-M57 WeakPolarHBondContact O-CA 3.39Å; C50-G58 PolarHBondContact N-O 3.35Å; C50-G58 PolarHBondContact O-N 2.82Å; C50-G58 PolarHBondContact SG-O 2.84Å
51P85.4Confident85.5Confident55 Ų5555 Ų5536%0.35729%0.289SS..EExtended strand (participates in β ladder)trans-71.6135.8165.730-31.9000110.2M1 T36 M57M1-P51 HydrophobicContact CE-CB 4.48Å; M1-P51 HydrophobicContact CE-CG 4.44Å; T36-P51 VanDerWaalsContact O-CD 3.29Å; T36-P51 WeakPolarHBondContact O-CD 3.38Å; P51-M57 HydrophobicContact CB-SD 4.11Å
52K82.6Confident85.4Confident121 Ų12157.2 Ų57.253%0.52631%0.307SS..  trans-94.7156.1170.1-68-177.9168.6175.50110T54 G55 K56K52-T54 PolarHBondContact O-N 3.28Å; K52-G55 PolarHBondContact O-N 2.89Å; K52-K56 WeakPolarHBondContact CB-O 3.24Å; K52-K56 PolarHBondContact N-O 3.26Å
53L80.9Confident85.4Confident192 Ų19257.4 Ų57.4100%1.00531%0.308SS*.THydrogen-bonded Turntrans-55.2-25.5175.9-65.5175.2000113.4G55L53-G55 PolarHBondContact O-N 2.89Å
54T81.1Confident85.7Confident106 Ų10656 Ų5665%0.6530%0.303SS*.THydrogen-bonded Turntrans-754.2177.168.20000113.8K52 K56K52-T54 PolarHBondContact O-N 3.28Å; T54-K56 PolarHBondContact O-N 3.07Å; T54-K56 PolarHBondContact OG1-N 2.83Å
55G76.5Confident85.8Confident63 Ų6352.4 Ų52.465%0.64929%0.287SS*.SBendtrans73.20.7-172.500000114.5K52 L53K52-G55 PolarHBondContact O-N 2.89Å; L53-G55 PolarHBondContact O-N 2.89Å
56K80.1Confident85.7Confident131 Ų13147.6 Ų47.657%0.5727%0.271SS*.  trans-84.8157.4173.6-65.1-173.1177.9-1740109.9K52 T54K52-K56 WeakPolarHBondContact CB-O 3.24Å; K52-K56 PolarHBondContact N-O 3.26Å; T54-K56 PolarHBondContact O-N 3.07Å; T54-K56 PolarHBondContact OG1-N 2.83Å
57M82.3Confident85.6Confident12 Ų1251.2 Ų51.26%0.05929%0.287CS..EExtended strand (participates in β ladder)trans-89.1152.3167.6-58-59.8-68.100109.3M1 A4 I5 L12 F38 V49 C50 P51M1-M57 HydrophobicContact CG-CE 4.11Å; M1-M57 HydrophobicContact CG-SD 3.97Å; M1-M57 HydrophobicContact SD-CE 4.39Å; A4-M57 HydrophobicContact CB-CG 4.1Å; I5-M57 HydrophobicContact CD1-CE 4.04Å; I5-M57 HydrophobicContact CG1-CE 3.82Å; I5-M57 HydrophobicContact CG1-CG 3.81Å; I5-M57 HydrophobicContact CG1-SD 4.36Å; L12-M57 HydrophobicContact CD1-CB 3.79Å; F38-M57 HydrophobicContact CD2-CE 3.73Å; F38-M57 HydrophobicContact CE2-CE 3.84Å; V49-M57 HydrophobicContact CG1-CB 3.88Å; V49-M57 HydrophobicContact CG1-CE 3.93Å; C50-M57 CarbonylContact O-C 3.55Å; C50-M57 WeakPolarHBondContact O-CA 3.39Å; P51-M57 HydrophobicContact CB-SD 4.11Å
58G84.9Confident85.4Confident3 Ų350.9 Ų50.93%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-139.6143.8176.500000111.9V49 C50 E60V49-G58 CarbonylContact C-O 3.48Å; V49-G58 WeakPolarHBondContact CA-O 3.42Å; V49-G58 WeakPolarHBondContact CG1-O 3.39Å; C50-G58 PolarHBondContact N-O 3.35Å; C50-G58 PolarHBondContact O-N 2.82Å; C50-G58 PolarHBondContact SG-O 2.84Å; G58-E60 PolarHBondContact O-N 2.82Å
59V85.8Confident85.2Confident57 Ų5753.7 Ų53.735%0.34530%0.296SS..EExtended strand (participates in β ladder)trans-75.4115.1169.8-179.40000108.1L12 Y47 V61 A62L12-V59 HydrophobicContact CB-CG2 4.25Å; L12-V59 HydrophobicContact CD2-CG2 3.99Å; L12-V59 WeakPolarHBondContact O-CG2 3.48Å; Y47-V59 HydrophobicContact CD1-CG1 4.04Å; Y47-V59 HydrophobicContact CD1-CG2 4.23Å; V59-V61 WeakPolarHBondContact CG1-O 3.46Å; V59-A62 HydrophobicContact CG1-CB 4.16Å
60E85.3Confident84.8Confident90 Ų9057.5 Ų57.542%0.42131%0.311SS..EExtended strand (participates in β ladder)trans-80.5-43.1170.4-174.4170-171.800109.6R37 V48 G58R37-E60 IonicContact CZ-OE2 3.45Å; R37-E60 IonicContact NE-OE2 2.71Å; R37-E60 PolarHBondContact NE-OE2 3.11Å; R37-E60 IonicContact NH2-OE2 3.34Å; R37-E60 PolarHBondContact NH2-OE2 3.22Å; V48-E60 PolarHBondContact O-N 3.21Å; G58-E60 PolarHBondContact O-N 2.82Å
61V84.8Confident84.7Confident27 Ų2756.6 Ų56.616%0.16431%0.305CS..EExtended strand (participates in β ladder)trans-143.3142178.5-151.70000111.6Y47 V48 V59 H63 M92Y47-V61 CarbonylContact C-O 3.55Å; Y47-V61 WeakPolarHBondContact CA-O 3.37Å; V48-V61 HydrophobicContact CB-CB 4.19Å; V48-V61 HydrophobicContact CB-CG2 4.26Å; V48-V61 HydrophobicContact CG2-CB 4.09Å; V48-V61 HydrophobicContact CG2-CG2 4.28Å; V48-V61 PolarHBondContact N-O 2.92Å; V48-V61 PolarHBondContact O-N 3.28Å; V59-V61 WeakPolarHBondContact CG1-O 3.46Å; V61-H63 WeakPolarHBondContact CG1-CE1 3.42Å; V61-H63 WeakPolarHBondContact CG1-NE2 3.44Å; V61-M92 HydrophobicContact CG2-SD 4.41Å
62A86.5Confident84.9Confident45 Ų4560.4 Ų60.437%0.37231%0.312SS..EExtended strand (participates in β ladder)trans-125.7134.4167.200000109.7L46 Y47 V59L46-A62 CarbonylContact O-C 3.52Å; L46-A62 WeakPolarHBondContact O-CA 3.39Å; Y47-A62 HydrophobicContact CD1-CB 3.72Å; Y47-A62 HydrophobicContact CE1-CB 3.8Å; V59-A62 HydrophobicContact CG1-CB 4.16Å
63H87.8Confident85.2Confident6 Ų655.2 Ų55.23%0.02829%0.29CS..EExtended strand (participates in β ladder)trans-132.1148.9179.1-60.1-60.5000110.8R45 L46 V61 I82 R84R45-H63 CarbonylContact C-O 3.5Å; R45-H63 WeakPolarHBondContact CA-O 3.38Å; L46-H63 PolarHBondContact N-O 2.88Å; L46-H63 PolarHBondContact O-N 3.23Å; V61-H63 WeakPolarHBondContact CG1-CE1 3.42Å; V61-H63 WeakPolarHBondContact CG1-NE2 3.44Å; H63-I82 WeakPolarHBondContact CE1-CD1 3.08Å; H63-I82 WeakPolarHBondContact ND1-CD1 3.33Å; H63-I82 VanDerWaalsContact NE2-CD1 3.29Å; H63-I82 WeakPolarHBondContact NE2-CD1 3.43Å; H63-R84 VanDerWaalsContact CE1-CZ 3.44Å; H63-R84 PolarHBondContact CE1-NE 2.95Å; H63-R84 VanDerWaalsContact CE1-NE 3.31Å; H63-R84 PolarHBondContact CE1-NH2 2.9Å; H63-R84 PolarHBondContact ND1-NE 3.16Å; H63-R84 PolarHBondContact ND1-NH2 3.31Å; H63-R84 VanDerWaalsContact ND1-NH2 3.17Å
64N87.9Confident85.7Confident41 Ų4154 Ų5422%0.21927%0.272CS..EExtended strand (participates in β ladder)trans-68.2139.3158.8-165.9-50.3000108.6F44 T66 F67F44-N64 WeakPolarHBondContact O-CA 3.32Å; F44-N64 PolarHBondContact O-OD1 2.78Å; N64-T66 PolarHBondContact O-N 2.84Å; N64-T66 WeakPolarHBondContact OD1-CB 3.37Å; N64-T66 WeakPolarHBondContact OD1-CG2 3.31Å; N64-T66 PolarHBondContact OD1-N 2.93Å; N64-T66 PolarHBondContact OD1-OG1 3.11Å; N64-F67 HydrophobicContact CB-CD2 3.96Å; N64-F67 HydrophobicContact CB-CE2 4.03Å; N64-F67 HydrophobicContact CB-CG 4.32Å; N64-F67 HydrophobicContact CB-CZ 4.43Å; N64-F67 WeakPolarHBondContact O-CB 3.42Å; N64-F67 PolarHBondContact O-N 2.88Å
65V87.9Confident86Confident0 Ų055.5 Ų55.50%028%0.276CS..G310 helixtrans-57.6-26.8174-64.70000112.5I41 F44 F67 V68 L108 L112 F116I41-V65 HydrophobicContact CG2-CG1 4.46Å; F44-V65 HydrophobicContact CB-CG2 4.2Å; F44-V65 WeakPolarHBondContact O-CG2 3.15Å; F44-V65 PolarHBondContact O-N 3.36Å; V65-F67 PolarHBondContact O-N 2.93Å; V65-V68 WeakPolarHBondContact O-CB 3.37Å; V65-V68 VanDerWaalsContact O-CG2 3.31Å; V65-V68 WeakPolarHBondContact O-CG2 3.44Å; V65-V68 PolarHBondContact O-N 3.49Å; V65-V68 VanDerWaalsContact O-N 3.11Å; V65-L108 HydrophobicContact CB-CD1 3.68Å; V65-L108 HydrophobicContact CG1-CD1 3.67Å; V65-L112 HydrophobicContact CB-CD2 4.17Å; V65-L112 HydrophobicContact CB-CG 4.4Å; V65-L112 HydrophobicContact CG2-CD2 3.79Å; V65-L112 HydrophobicContact CG2-CG 4.25Å; V65-F116 HydrophobicContact CG2-CD2 4.32Å; V65-F116 HydrophobicContact CG2-CE2 3.81Å
66T87.1Confident86.8Confident17 Ų1756 Ų5610%0.10426%0.263CS..G310 helixtrans-69-16.8175.659.70000113.8N64 V68 L112 F116 W119N64-T66 PolarHBondContact O-N 2.84Å; N64-T66 WeakPolarHBondContact OD1-CB 3.37Å; N64-T66 WeakPolarHBondContact OD1-CG2 3.31Å; N64-T66 PolarHBondContact OD1-N 2.93Å; N64-T66 PolarHBondContact OD1-OG1 3.11Å; T66-V68 VanDerWaalsContact C-N 3.27Å; T66-L112 HydrophobicContact CG2-CD2 4.24Å; T66-F116 HydrophobicContact CG2-CD1 3.83Å; T66-F116 HydrophobicContact CG2-CD2 3.6Å; T66-F116 HydrophobicContact CG2-CE1 3.74Å; T66-F116 HydrophobicContact CG2-CE2 3.5Å; T66-F116 VanDerWaalsContact CG2-CE2 3.5Å; T66-F116 HydrophobicContact CG2-CG 3.76Å; T66-F116 HydrophobicContact CG2-CZ 3.57Å; T66-W119 HydrophobicContact CG2-CD2 4.5Å; T66-W119 HydrophobicContact CG2-CE3 4.15Å; T66-W119 HydrophobicContact CG2-CH2 4.05Å; T66-W119 HydrophobicContact CG2-CZ2 4.39Å; T66-W119 HydrophobicContact CG2-CZ3 3.92Å; T66-W119 WeakPolarHBondContact O-CH2 3.37Å; T66-W119 WeakPolarHBondContact O-CZ2 3.48Å
67F89.2Confident87.4Confident79 Ų7952.8 Ų52.835%0.34625%0.251SS..G310 helixtrans-80.6-11.8173.4-61.7-26.9000112.5N64 V65 R69 I82 Q83 R84N64-F67 HydrophobicContact CB-CD2 3.96Å; N64-F67 HydrophobicContact CB-CE2 4.03Å; N64-F67 HydrophobicContact CB-CG 4.32Å; N64-F67 HydrophobicContact CB-CZ 4.43Å; N64-F67 WeakPolarHBondContact O-CB 3.42Å; N64-F67 PolarHBondContact O-N 2.88Å; V65-F67 PolarHBondContact O-N 2.93Å; F67-R69 PolarHBondContact O-N 2.92Å; F67-I82 CarbonylContact O-C 3.15Å; F67-I82 WeakPolarHBondContact O-CA 3.34Å; F67-Q83 PolarHBondContact O-N 3.04Å; F67-R84 HydrophobicContact CD2-CG 4.17Å
68V86.6Confident87.8Confident1 Ų152.2 Ų52.21%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-71.2123176-1710000109.2V65 T66 F80 L108V65-V68 WeakPolarHBondContact O-CB 3.37Å; V65-V68 VanDerWaalsContact O-CG2 3.31Å; V65-V68 WeakPolarHBondContact O-CG2 3.44Å; V65-V68 PolarHBondContact O-N 3.49Å; V65-V68 VanDerWaalsContact O-N 3.11Å; T66-V68 VanDerWaalsContact C-N 3.27Å; V68-F80 HydrophobicContact CB-CE2 4.05Å; V68-F80 HydrophobicContact CB-CZ 4.3Å; V68-F80 HydrophobicContact CG1-CD2 4.06Å; V68-F80 HydrophobicContact CG1-CE2 3.41Å; V68-F80 VanDerWaalsContact CG1-CE2 3.41Å; V68-F80 HydrophobicContact CG1-CZ 4.08Å; V68-F80 HydrophobicContact CG2-CE2 3.44Å; V68-F80 VanDerWaalsContact CG2-CE2 3.44Å; V68-F80 HydrophobicContact CG2-CZ 3.38Å; V68-L108 HydrophobicContact CB-CD2 4.13Å; V68-L108 HydrophobicContact CG1-CD2 3.75Å; V68-L108 HydrophobicContact CG2-CD1 4.11Å; V68-L108 HydrophobicContact CG2-CD2 4.28Å
69R85.1Confident88.1Confident62 Ų6254.8 Ų54.823%0.23426%0.259CS..EExtended strand (participates in β ladder)trans-103.7-39.4178.9-67.7-56-165.3-157.8-0.3112.9F67 T81 Q83 F89 W123F67-R69 PolarHBondContact O-N 2.92Å; R69-T81 PolarHBondContact N-O 3.15Å; R69-Q83 HydrophobicContact CG-CB 3.56Å; R69-Q83 VanDerWaalsContact NH2-OE1 3.09Å; R69-F89 HydrophobicContact CB-CE1 4.47Å; R69-F89 HydrophobicContact CG-CE1 4.12Å; R69-W123 CarbonylContact O-C 3.57Å; R69-W123 WeakPolarHBondContact O-CB 3.34Å; R69-W123 VanDerWaalsContact O-O 3.05Å
70Y83.6Confident88.2Confident80 Ų8052.1 Ų52.131%0.31424%0.243SC..EExtended strand (participates in β ladder)trans-150146.3179.7-45.8-85.9000109.8T81 F89 W123Y70-T81 HydrophobicContact CD2-CG2 4.2Å; Y70-T81 PolarHBondContact N-O 2.98Å; Y70-T81 PolarHBondContact O-N 3.14Å; Y70-F89 HydrophobicContact CE2-CE1 4.42Å; Y70-W123 HydrophobicContact CD1-CE3 4.23Å; Y70-W123 AromaticContact CE1-CE3 3.31Å; Y70-W123 HydrophobicContact CE1-CE3 3.31Å; Y70-W123 AromaticContact CE1-CZ3 3.56Å; Y70-W123 HydrophobicContact CE1-CZ3 3.56Å; Y70-W123 AromaticContact CZ-CE3 3.65Å; Y70-W123 AromaticContact CZ-CZ3 3.61Å; Y70-W123 WeakPolarHBondContact OH-CZ3 3.41Å
71L87.2Confident88.4Confident1 Ų148.6 Ų48.61%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-134.483.8177.7179.778.2000110L78 E79 F80 L104 A105 A127 F128L71-L78 HydrophobicContact CD1-CD1 3.52Å; L71-L78 HydrophobicContact CD1-CD2 4.1Å; L71-L78 HydrophobicContact CD1-CG 3.83Å; L71-L78 HydrophobicContact CD2-CD1 4.4Å; L71-L78 HydrophobicContact CG-CD1 3.72Å; L71-E79 CarbonylContact C-O 3.49Å; L71-E79 WeakPolarHBondContact CA-O 3.46Å; L71-F80 HydrophobicContact CD1-CB 4.3Å; L71-F80 HydrophobicContact CD1-CD2 3.65Å; L71-F80 HydrophobicContact CD1-CG 4.46Å; L71-L104 HydrophobicContact CD1-CD2 4.12Å; L71-A105 HydrophobicContact CD2-CB 3.54Å; L71-A127 WeakPolarHBondContact O-CB 3.18Å; L71-F128 HydrophobicContact CD2-CE2 4.28Å
72R89.1Confident88.6Confident134 Ų13447.4 Ų47.451%0.50622%0.22SC..EExtended strand (participates in β ladder)trans-94.8136.3-173-176.5-174.2-67144.3-8.9111L78 E79 A127R72-L78 CarbonylContact O-C 3.55Å; R72-L78 WeakPolarHBondContact O-CA 3.38Å; R72-E79 HydrophobicContact CB-CB 4.21Å; R72-E79 IonicContact CZ-OE2 3.89Å; R72-E79 PolarHBondContact N-O 2.69Å; R72-E79 IonicContact NH1-OE2 2.98Å; R72-E79 PolarHBondContact NH1-OE2 3.36Å; R72-E79 PolarHBondContact O-N 3.47Å; R72-A127 WeakPolarHBondContact CA-O 3.38Å; R72-A127 HydrophobicContact CB-CB 4.3Å
73F90.4Very high88.5Confident12 Ų1246.5 Ų46.55%0.05321%0.208CC..EExtended strand (participates in β ladder)trans-113.9130172.5-175.1-99.8000111.1Q77 L78 C96 L98 A101 F128F73-Q77 CarbonylContact C-O 3.59Å; F73-Q77 VanDerWaalsContact CA-O 3.28Å; F73-Q77 WeakPolarHBondContact CA-O 3.45Å; F73-L78 HydrophobicContact CB-CD1 4.32Å; F73-L78 HydrophobicContact CD2-CB 4.31Å; F73-L78 HydrophobicContact CD2-CD1 4.38Å; F73-C96 VanDerWaalsContact CE2-O 3.32Å; F73-C96 WeakPolarHBondContact CE2-O 3.09Å; F73-L98 HydrophobicContact CD1-CB 4.47Å; F73-L98 HydrophobicContact CD1-CD1 3.56Å; F73-L98 HydrophobicContact CE1-CB 3.76Å; F73-L98 HydrophobicContact CE1-CD1 3.71Å; F73-L98 HydrophobicContact CE1-CG 4.3Å; F73-L98 HydrophobicContact CG-CD1 4.35Å; F73-L98 HydrophobicContact CZ-CB 4.08Å; F73-A101 HydrophobicContact CB-CB 4.2Å; F73-A101 HydrophobicContact CD2-CB 3.46Å; F73-A101 VanDerWaalsContact CD2-CB 3.46Å; F73-A101 HydrophobicContact CE2-CB 3.99Å; F73-A101 HydrophobicContact CG-CB 3.86Å; F73-F128 HydrophobicContact CB-CE1 4.38Å
74R90.6Very high88.2Confident168 Ų16853 Ų5363%0.63423%0.232SC*.EExtended strand (participates in β ladder)trans-147.2128.7176.5179.4-179.1175.2165.27.7111.2D76 Q77R74-D76 PolarHBondContact O-N 3.28Å; R74-Q77 PolarHBondContact N-O 2.98Å; R74-Q77 PolarHBondContact O-N 3.31Å
75D87.7Confident87.9Confident137 Ų13756.4 Ų56.473%0.73325%0.247SC*.THydrogen-bonded Turntrans60.2-60177.5-58.4-44.4000113.5
76D92.3Very high87.4Confident73 Ų7361 Ų6139%0.3929%0.285SS..THydrogen-bonded Turntrans-159.2-1.2174.163.6-20000112.8R74 Y95 C96R74-D76 PolarHBondContact O-N 3.28Å; D76-Y95 VanDerWaalsContact O-CA 3.31Å; D76-Y95 WeakPolarHBondContact O-CA 3.46Å; D76-C96 PolarHBondContact O-N 3.37Å
77Q92.9Very high87Confident64 Ų6465.1 Ų65.130%0.29931%0.314SS..EExtended strand (participates in β ladder)trans-99.6124.2-174.3-74.1171.545.600111.1F73 R74 I93 F94 Y95F73-Q77 CarbonylContact C-O 3.59Å; F73-Q77 VanDerWaalsContact CA-O 3.28Å; F73-Q77 WeakPolarHBondContact CA-O 3.45Å; R74-Q77 PolarHBondContact N-O 2.98Å; R74-Q77 PolarHBondContact O-N 3.31Å; Q77-I93 HydrophobicContact CB-CG2 4.12Å; Q77-I93 HydrophobicContact CG-CG2 4Å; Q77-F94 CarbonylContact C-O 3.58Å; Q77-F94 WeakPolarHBondContact CA-O 3.47Å; Q77-Y95 HydrophobicContact CG-CD1 3.67Å; Q77-Y95 HydrophobicContact CG-CE1 3.36Å
78L92.5Very high86.8Confident0 Ų067.6 Ų67.60%033%0.325CS..EExtended strand (participates in β ladder)trans-98.1100.5168.3-174.665.6000109.3L39 L71 R72 F73 F94 A101 L104L39-L78 HydrophobicContact CD1-CD2 4.1Å; L71-L78 HydrophobicContact CD1-CD1 3.52Å; L71-L78 HydrophobicContact CD1-CD2 4.1Å; L71-L78 HydrophobicContact CD1-CG 3.83Å; L71-L78 HydrophobicContact CD2-CD1 4.4Å; L71-L78 HydrophobicContact CG-CD1 3.72Å; R72-L78 CarbonylContact O-C 3.55Å; R72-L78 WeakPolarHBondContact O-CA 3.38Å; F73-L78 HydrophobicContact CB-CD1 4.32Å; F73-L78 HydrophobicContact CD2-CB 4.31Å; F73-L78 HydrophobicContact CD2-CD1 4.38Å; L78-F94 HydrophobicContact CB-CB 4.26Å; L78-F94 PolarHBondContact N-O 3.37Å; L78-F94 PolarHBondContact O-N 3.2Å; L78-A101 HydrophobicContact CD1-CB 3.89Å; L78-L104 HydrophobicContact CD2-CD2 3.75Å
79E90.9Very high86.8Confident56 Ų5672.8 Ų72.826%0.26235%0.348SS..EExtended strand (participates in β ladder)trans-80.2115.9170.8-61.2-179.9170.400109.6L71 R72 T91 I93L71-E79 CarbonylContact C-O 3.49Å; L71-E79 WeakPolarHBondContact CA-O 3.46Å; R72-E79 HydrophobicContact CB-CB 4.21Å; R72-E79 IonicContact CZ-OE2 3.89Å; R72-E79 PolarHBondContact N-O 2.69Å; R72-E79 IonicContact NH1-OE2 2.98Å; R72-E79 PolarHBondContact NH1-OE2 3.36Å; R72-E79 PolarHBondContact O-N 3.47Å; E79-T91 HydrophobicContact CB-CG2 4.48Å; E79-I93 HydrophobicContact CG-CG1 4.4Å
80F88.2Confident86.9Confident1 Ų174.8 Ų74.80%0.00436%0.36CS..EExtended strand (participates in β ladder)trans-114.4110179.9177.8-101.1000110L46 V68 L71 I82 T91 M92 F94L46-F80 HydrophobicContact CD2-CD1 4.46Å; L46-F80 HydrophobicContact CD2-CD2 4.36Å; L46-F80 HydrophobicContact CD2-CE1 3.55Å; L46-F80 HydrophobicContact CD2-CE2 3.46Å; L46-F80 VanDerWaalsContact CD2-CE2 3.46Å; L46-F80 HydrophobicContact CD2-CZ 2.97Å; L46-F80 HydrophobicContact CG-CZ 4.43Å; V68-F80 HydrophobicContact CB-CE2 4.05Å; V68-F80 HydrophobicContact CB-CZ 4.3Å; V68-F80 HydrophobicContact CG1-CD2 4.06Å; V68-F80 HydrophobicContact CG1-CE2 3.41Å; V68-F80 VanDerWaalsContact CG1-CE2 3.41Å; V68-F80 HydrophobicContact CG1-CZ 4.08Å; V68-F80 HydrophobicContact CG2-CE2 3.44Å; V68-F80 VanDerWaalsContact CG2-CE2 3.44Å; V68-F80 HydrophobicContact CG2-CZ 3.38Å; L71-F80 HydrophobicContact CD1-CB 4.3Å; L71-F80 HydrophobicContact CD1-CD2 3.65Å; L71-F80 HydrophobicContact CD1-CG 4.46Å; F80-I82 HydrophobicContact CD1-CG2 3.92Å; F80-I82 HydrophobicContact CE1-CG2 3.12Å; F80-I82 HydrophobicContact CE2-CG2 4.5Å; F80-I82 HydrophobicContact CZ-CG2 3.46Å; F80-I82 VanDerWaalsContact CZ-CG2 3.46Å; F80-T91 CarbonylContact O-C 3.58Å; F80-T91 WeakPolarHBondContact O-CA 3.21Å; F80-M92 HydrophobicContact CD1-CE 3.4Å; F80-M92 HydrophobicContact CE1-CE 3.57Å; F80-M92 PolarHBondContact N-O 3.44Å; F80-M92 PolarHBondContact O-N 3.5Å; F80-F94 HydrophobicContact CB-CD2 4.13Å; F80-F94 HydrophobicContact CB-CE2 3.9Å; F80-F94 HydrophobicContact CD1-CE2 4.38Å; F80-F94 HydrophobicContact CG-CE2 4.4Å
81T88.1Confident87.2Confident16 Ų1674.3 Ų74.310%0.09837%0.365CS..EExtended strand (participates in β ladder)trans-107.8125.9-178.6-60.70000111.3R69 Y70 F89 H90 T91R69-T81 PolarHBondContact N-O 3.15Å; Y70-T81 HydrophobicContact CD2-CG2 4.2Å; Y70-T81 PolarHBondContact N-O 2.98Å; Y70-T81 PolarHBondContact O-N 3.14Å; T81-F89 HydrophobicContact CG2-CB 4.07Å; T81-F89 HydrophobicContact CG2-CD1 3.86Å; T81-F89 HydrophobicContact CG2-CG 4.43Å; T81-H90 WeakPolarHBondContact CA-O 3.5Å; T81-T91 WeakPolarHBondContact OG1-CG2 3.5Å; T81-T91 PolarHBondContact OG1-OG1 2.96Å
82I88.5Confident87.3Confident2 Ų275.4 Ų75.41%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-113.1155.7173.863.7177.2000111.6H63 F67 F80 R84 F89 H90H63-I82 WeakPolarHBondContact CE1-CD1 3.08Å; H63-I82 WeakPolarHBondContact ND1-CD1 3.33Å; H63-I82 VanDerWaalsContact NE2-CD1 3.29Å; H63-I82 WeakPolarHBondContact NE2-CD1 3.43Å; F67-I82 CarbonylContact O-C 3.15Å; F67-I82 WeakPolarHBondContact O-CA 3.34Å; F80-I82 HydrophobicContact CD1-CG2 3.92Å; F80-I82 HydrophobicContact CE1-CG2 3.12Å; F80-I82 HydrophobicContact CE2-CG2 4.5Å; F80-I82 HydrophobicContact CZ-CG2 3.46Å; F80-I82 VanDerWaalsContact CZ-CG2 3.46Å; I82-R84 HydrophobicContact CD1-CG 4.39Å; I82-F89 CarbonylContact O-C 3.46Å; I82-F89 WeakPolarHBondContact O-CA 3.41Å; I82-H90 HydrophobicContact CD1-CB 4.11Å; I82-H90 HydrophobicContact CG1-CB 3.76Å; I82-H90 WeakPolarHBondContact CG1-O 3.28Å; I82-H90 PolarHBondContact N-O 3.25Å; I82-H90 PolarHBondContact O-N 2.79Å
83Q85.3Confident87.5Confident26 Ų2672.6 Ų72.612%0.12137%0.365CS..EExtended strand (participates in β ladder)trans-132.2103.2171.9-171.7-17327.500109.6F67 R69 Q85 A86 F89F67-Q83 PolarHBondContact O-N 3.04Å; R69-Q83 HydrophobicContact CG-CB 3.56Å; R69-Q83 VanDerWaalsContact NH2-OE1 3.09Å; Q83-Q85 WeakPolarHBondContact CG-O 3.27Å; Q83-A86 PolarHBondContact NE2-O 2.85Å; Q83-F89 HydrophobicContact CB-CD1 3.95Å; Q83-F89 HydrophobicContact CB-CE1 3.95Å; Q83-F89 HydrophobicContact CG-CD1 4.2Å; Q83-F89 HydrophobicContact CG-CE1 4Å; Q83-F89 HydrophobicContact CG-CZ 4.24Å
84R80.9Confident87.6Confident143 Ų14372.2 Ų72.254%0.5436%0.363SS..EExtended strand (participates in β ladder)trans-86.1-27.3176.8-67.2178.7176.7-171.3-8.6112.6H63 F67 I82H63-R84 VanDerWaalsContact CE1-CZ 3.44Å; H63-R84 PolarHBondContact CE1-NE 2.95Å; H63-R84 VanDerWaalsContact CE1-NE 3.31Å; H63-R84 PolarHBondContact CE1-NH2 2.9Å; H63-R84 PolarHBondContact ND1-NE 3.16Å; H63-R84 PolarHBondContact ND1-NH2 3.31Å; H63-R84 VanDerWaalsContact ND1-NH2 3.17Å; F67-R84 HydrophobicContact CD2-CG 4.17Å; I82-R84 HydrophobicContact CD1-CG 4.39Å
85Q83.1Confident87.8Confident112 Ų11267.5 Ų67.552%0.52335%0.346SS..EExtended strand (participates in β ladder)trans-132.1147.2-178.2-65.4178.9-16.700108.4Q83 S87 K88Q83-Q85 WeakPolarHBondContact CG-O 3.27Å; Q85-S87 PolarHBondContact O-N 2.93Å; Q85-K88 HydrophobicContact CB-CB 4.36Å; Q85-K88 PolarHBondContact O-N 2.63Å
86A76.6Confident88.1Confident98 Ų9861.9 Ų61.981%0.8132%0.317SS*.THydrogen-bonded Turntrans-52.3-23.4-170.100000115.1Q83Q83-A86 PolarHBondContact NE2-O 2.85Å
87S79.1Confident88.2Confident102 Ų10261.7 Ų61.771%0.71332%0.321SS*.THydrogen-bonded Turntrans-1182.5-179.1550000115Q85Q85-S87 PolarHBondContact O-N 2.93Å
88K83.7Confident88.1Confident132 Ų13262.3 Ų62.357%0.57433%0.326SS*.EExtended strand (participates in β ladder)trans-120.5111.3-175.7-64.3-169.6-175.81750111.9Q85Q85-K88 HydrophobicContact CB-CB 4.36Å; Q85-K88 PolarHBondContact O-N 2.63Å
89F86.3Confident88.1Confident110 Ų11067.3 Ų67.348%0.48236%0.357SS..EExtended strand (participates in β ladder)trans-94.5137.1168.9-62.7-91.1000109.3R69 Y70 T81 I82 Q83R69-F89 HydrophobicContact CB-CE1 4.47Å; R69-F89 HydrophobicContact CG-CE1 4.12Å; Y70-F89 HydrophobicContact CE2-CE1 4.42Å; T81-F89 HydrophobicContact CG2-CB 4.07Å; T81-F89 HydrophobicContact CG2-CD1 3.86Å; T81-F89 HydrophobicContact CG2-CG 4.43Å; I82-F89 CarbonylContact O-C 3.46Å; I82-F89 WeakPolarHBondContact O-CA 3.41Å; Q83-F89 HydrophobicContact CB-CD1 3.95Å; Q83-F89 HydrophobicContact CB-CE1 3.95Å; Q83-F89 HydrophobicContact CG-CD1 4.2Å; Q83-F89 HydrophobicContact CG-CE1 4Å; Q83-F89 HydrophobicContact CG-CZ 4.24Å
90H88.2Confident88.1Confident104 Ų10465.2 Ų65.248%0.48135%0.349SS..EExtended strand (participates in β ladder)trans-121.5120169.7-178.668.4000107.9T81 I82 M92T81-H90 WeakPolarHBondContact CA-O 3.5Å; I82-H90 HydrophobicContact CD1-CB 4.11Å; I82-H90 HydrophobicContact CG1-CB 3.76Å; I82-H90 WeakPolarHBondContact CG1-O 3.28Å; I82-H90 PolarHBondContact N-O 3.25Å; I82-H90 PolarHBondContact O-N 2.79Å; H90-M92 WeakPolarHBondContact NE2-CG 3.38Å
91T89.3Confident88.3Confident70 Ų7065.2 Ų65.243%0.42935%0.349SS..EExtended strand (participates in β ladder)trans-106.6126.9179-56.90000108.6E79 F80 T81E79-T91 HydrophobicContact CB-CG2 4.48Å; F80-T91 CarbonylContact O-C 3.58Å; F80-T91 WeakPolarHBondContact O-CA 3.21Å; T81-T91 WeakPolarHBondContact OG1-CG2 3.5Å; T81-T91 PolarHBondContact OG1-OG1 2.96Å
92M89.9Confident88.4Confident24 Ų2465.6 Ų65.612%0.11835%0.353CS..EExtended strand (participates in β ladder)trans-109.4137.5171.5-64.5-176.8-72.200107.8V48 V61 F80 H90 F94V48-M92 HydrophobicContact CG2-CE 4.24Å; V61-M92 HydrophobicContact CG2-SD 4.41Å; F80-M92 HydrophobicContact CD1-CE 3.4Å; F80-M92 HydrophobicContact CE1-CE 3.57Å; F80-M92 PolarHBondContact N-O 3.44Å; F80-M92 PolarHBondContact O-N 3.5Å; H90-M92 WeakPolarHBondContact NE2-CG 3.38Å; M92-F94 HydrophobicContact CB-CD2 4.35Å; M92-F94 HydrophobicContact CB-CE2 3.53Å; M92-F94 HydrophobicContact CB-CZ 3.69Å; M92-F94 HydrophobicContact CE-CE2 4.38Å; M92-F94 HydrophobicContact CE-CZ 4.2Å; M92-F94 HydrophobicContact CG-CZ 4.43Å; M92-F94 HydrophobicContact SD-CZ 4.01Å
93I92.2Very high88.5Confident74 Ų7468.6 Ų68.638%0.37937%0.371SS..EExtended strand (participates in β ladder)trans-109.7125.5176.1-57.2178.4000107.2Q77 E79Q77-I93 HydrophobicContact CB-CG2 4.12Å; Q77-I93 HydrophobicContact CG-CG2 4Å; E79-I93 HydrophobicContact CG-CG1 4.4Å
94F94.2Very high88.7Confident5 Ų567.4 Ų67.42%0.02237%0.366CS..EExtended strand (participates in β ladder)trans-118.4149.2175.9-58.2-78.1000109.2V26 E27 I28 L39 V48 Q77 L78 F80 M92V26-F94 HydrophobicContact CB-CB 3.94Å; V26-F94 HydrophobicContact CB-CD1 4.33Å; V26-F94 HydrophobicContact CB-CG 4.42Å; V26-F94 HydrophobicContact CG1-CB 4.38Å; V26-F94 HydrophobicContact CG2-CB 3.96Å; V26-F94 HydrophobicContact CG2-CD1 3.41Å; V26-F94 VanDerWaalsContact CG2-CD1 3.41Å; V26-F94 HydrophobicContact CG2-CE1 4.16Å; V26-F94 HydrophobicContact CG2-CG 3.9Å; E27-F94 CarbonylContact O-C 3.57Å; E27-F94 VanDerWaalsContact O-CA 3.31Å; E27-F94 WeakPolarHBondContact O-CA 3.42Å; I28-F94 HydrophobicContact CG2-CD1 3.38Å; I28-F94 HydrophobicContact CG2-CE1 3.66Å; I28-F94 HydrophobicContact CG2-CG 4.47Å; L39-F94 HydrophobicContact CD1-CD2 4.02Å; L39-F94 HydrophobicContact CD1-CE2 4.22Å; L39-F94 HydrophobicContact CD1-CG 4.25Å; L39-F94 HydrophobicContact CD2-CE1 4.01Å; L39-F94 HydrophobicContact CD2-CE2 4.05Å; L39-F94 HydrophobicContact CD2-CZ 3.76Å; V48-F94 HydrophobicContact CG1-CE1 4.22Å; V48-F94 HydrophobicContact CG1-CZ 4.44Å; V48-F94 HydrophobicContact CG2-CZ 4.14Å; Q77-F94 CarbonylContact C-O 3.58Å; Q77-F94 WeakPolarHBondContact CA-O 3.47Å; L78-F94 HydrophobicContact CB-CB 4.26Å; L78-F94 PolarHBondContact N-O 3.37Å; L78-F94 PolarHBondContact O-N 3.2Å; F80-F94 HydrophobicContact CB-CD2 4.13Å; F80-F94 HydrophobicContact CB-CE2 3.9Å; F80-F94 HydrophobicContact CD1-CE2 4.38Å; F80-F94 HydrophobicContact CG-CE2 4.4Å; M92-F94 HydrophobicContact CB-CD2 4.35Å; M92-F94 HydrophobicContact CB-CE2 3.53Å; M92-F94 HydrophobicContact CB-CZ 3.69Å; M92-F94 HydrophobicContact CE-CE2 4.38Å; M92-F94 HydrophobicContact CE-CZ 4.2Å; M92-F94 HydrophobicContact CG-CZ 4.43Å; M92-F94 HydrophobicContact SD-CZ 4.01Å
95Y94.8Very high89.1Confident69 Ų6961 Ų6127%0.27134%0.343SS..EExtended strand (participates in β ladder)trans-104.4126.4172.6-59.6-93000108.8V26 E27 N29 D76 Q77V26-Y95 WeakPolarHBondContact CA-O 3.14Å; E27-Y95 PolarHBondContact N-O 2.91Å; E27-Y95 PolarHBondContact O-N 3.3Å; N29-Y95 HydrophobicContact CB-CE2 3.96Å; D76-Y95 VanDerWaalsContact O-CA 3.31Å; D76-Y95 WeakPolarHBondContact O-CA 3.46Å; Q77-Y95 HydrophobicContact CG-CD1 3.67Å; Q77-Y95 HydrophobicContact CG-CE1 3.36Å
96C93.8Very high89.3Confident18 Ų1857.7 Ų57.712%0.12233%0.332CS..  trans-160.5167.8178.764.90000111.9V26 F73 D76 A100V26-C96 HydrophobicContact CB-CB 4.31Å; V26-C96 HydrophobicContact CG1-CB 3.89Å; F73-C96 VanDerWaalsContact CE2-O 3.32Å; F73-C96 WeakPolarHBondContact CE2-O 3.09Å; D76-C96 PolarHBondContact O-N 3.37Å; C96-A100 HydrophobicContact CB-CB 4.05Å
97S93.6Very high89.9Confident70 Ų7053.8 Ų53.849%0.4930%0.299SS..  trans-69.1156.1172.267.10000111.6T99 A100 A101S97-T99 PolarHBondContact O-N 3.43Å; S97-A100 WeakPolarHBondContact O-CB 3.29Å; S97-A100 PolarHBondContact O-N 3.49Å; S97-A100 VanDerWaalsContact O-N 3.1Å; S97-A100 PolarHBondContact OG-N 3.06Å; S97-A101 PolarHBondContact O-N 2.88Å
98L91.5Very high90.4Very high76 Ų7649.1 Ų49.140%0.39827%0.266SS..Hα-helixtrans-53.7-41.6171.9176.259.5000111.5F73 A100 A101 S102 F128 C131F73-L98 HydrophobicContact CD1-CB 4.47Å; F73-L98 HydrophobicContact CD1-CD1 3.56Å; F73-L98 HydrophobicContact CE1-CB 3.76Å; F73-L98 HydrophobicContact CE1-CD1 3.71Å; F73-L98 HydrophobicContact CE1-CG 4.3Å; F73-L98 HydrophobicContact CG-CD1 4.35Å; F73-L98 HydrophobicContact CZ-CB 4.08Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-A100 PolarHBondContact O-N 2.75Å; L98-A101 PolarHBondContact O-N 3.27Å; L98-S102 WeakPolarHBondContact O-CB 3.39Å; L98-S102 PolarHBondContact O-N 3.25Å; L98-S102 PolarHBondContact O-OG 3.1Å; L98-S102 VanDerWaalsContact O-OG 3.07Å; L98-F128 HydrophobicContact CD1-CE1 4.5Å; L98-C131 HydrophobicContact CD1-CB 4.23Å; L98-C131 VanDerWaalsContact CD1-SG 3.5Å
99T92Very high90.5Very high105 Ų10543.4 Ų43.464%0.64424%0.243SC*.Hα-helixtrans-60-42.5178-50.30000112.2S97 T103S97-T99 PolarHBondContact O-N 3.43Å; T99-T103 WeakPolarHBondContact O-CB 3.26Å; T99-T103 PolarHBondContact O-N 2.84Å; T99-T103 PolarHBondContact O-OG1 2.87Å
100A91.1Very high90.5Very high13 Ų1342.5 Ų42.511%0.10724%0.244CC..Hα-helixtrans-65.7-44.9176.300000111.1V24 C96 S97 L98 T103 L104V24-A100 HydrophobicContact CB-CB 4.24Å; V24-A100 HydrophobicContact CG1-CB 4.32Å; C96-A100 HydrophobicContact CB-CB 4.05Å; S97-A100 WeakPolarHBondContact O-CB 3.29Å; S97-A100 PolarHBondContact O-N 3.49Å; S97-A100 VanDerWaalsContact O-N 3.1Å; S97-A100 PolarHBondContact OG-N 3.06Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-A100 PolarHBondContact O-N 2.75Å; A100-T103 PolarHBondContact O-N 2.91Å; A100-L104 PolarHBondContact O-N 2.78Å
101A92Very high90.4Very high0 Ų037.6 Ų37.60%022%0.221CC..Hα-helixtrans-59.5-48.4176.900000112.1F73 L78 S97 L98 L104 A105F73-A101 HydrophobicContact CB-CB 4.2Å; F73-A101 HydrophobicContact CD2-CB 3.46Å; F73-A101 VanDerWaalsContact CD2-CB 3.46Å; F73-A101 HydrophobicContact CE2-CB 3.99Å; F73-A101 HydrophobicContact CG-CB 3.86Å; L78-A101 HydrophobicContact CD1-CB 3.89Å; S97-A101 PolarHBondContact O-N 2.88Å; L98-A101 PolarHBondContact O-N 3.27Å; A101-L104 PolarHBondContact O-N 3Å; A101-A105 WeakPolarHBondContact O-CB 3.33Å; A101-A105 PolarHBondContact O-N 3.09Å
102S90Very high90.3Very high24 Ų2434.3 Ų34.317%0.16820%0.201CC..Hα-helixtrans-64.6-40.4178.4-60.80000111.9L98 L104 A105 C106L98-S102 WeakPolarHBondContact O-CB 3.39Å; L98-S102 PolarHBondContact O-N 3.25Å; L98-S102 PolarHBondContact O-OG 3.1Å; L98-S102 VanDerWaalsContact O-OG 3.07Å; S102-L104 VanDerWaalsContact C-N 3.34Å; S102-L104 PolarHBondContact O-N 3.35Å; S102-A105 PolarHBondContact O-N 3.3Å; S102-C106 WeakPolarHBondContact O-CB 3.45Å; S102-C106 PolarHBondContact O-N 3.2Å; S102-C106 PolarHBondContact O-SG 2.92Å
103T90.2Very high90.1Very high65 Ų6537.2 Ų37.240%0.39922%0.219SC..Hα-helixtrans-60.9-45.8176-57.30000110.5V24 T99 A100 A105 C106 S107V24-T103 HydrophobicContact CG1-CG2 4.41Å; T99-T103 WeakPolarHBondContact O-CB 3.26Å; T99-T103 PolarHBondContact O-N 2.84Å; T99-T103 PolarHBondContact O-OG1 2.87Å; A100-T103 PolarHBondContact O-N 2.91Å; T103-A105 PolarHBondContact O-N 3.34Å; T103-C106 PolarHBondContact O-N 2.89Å; T103-S107 WeakPolarHBondContact O-CB 3.31Å; T103-S107 PolarHBondContact O-N 3.24Å; T103-S107 PolarHBondContact O-OG 2.84Å; T103-S107 VanDerWaalsContact O-OG 3.09Å
104L90.6Very high89.7Confident2 Ų239.7 Ų39.71%0.0123%0.229CC..Hα-helixtrans-61.7-44.6176.7-174.874.7000111.6V24 L39 I41 L46 L71 L78 A100 A101 S102 S107 L108V24-L104 HydrophobicContact CG2-CB 4.15Å; V24-L104 HydrophobicContact CG2-CD1 4Å; V24-L104 HydrophobicContact CG2-CG 4.46Å; L39-L104 HydrophobicContact CB-CD1 3.95Å; L39-L104 HydrophobicContact CB-CD2 4.36Å; L39-L104 HydrophobicContact CD1-CD2 3.56Å; I41-L104 HydrophobicContact CD1-CD1 3.56Å; I41-L104 HydrophobicContact CD1-CG 4.22Å; I41-L104 HydrophobicContact CG1-CD1 3.85Å; L46-L104 HydrophobicContact CD1-CD1 4.06Å; L71-L104 HydrophobicContact CD1-CD2 4.12Å; L78-L104 HydrophobicContact CD2-CD2 3.75Å; A100-L104 PolarHBondContact O-N 2.78Å; A101-L104 PolarHBondContact O-N 3Å; S102-L104 VanDerWaalsContact C-N 3.34Å; S102-L104 PolarHBondContact O-N 3.35Å; L104-S107 PolarHBondContact O-N 3.43Å; L104-L108 VanDerWaalsContact O-CB 3.26Å; L104-L108 WeakPolarHBondContact O-CB 3.08Å; L104-L108 PolarHBondContact O-N 2.99Å
105A88.8Confident89.3Confident8 Ų842.8 Ų42.87%0.06624%0.241CC..Hα-helixtrans-61-48179.400000112.4L71 A101 S102 T103 L108 A109 F128L71-A105 HydrophobicContact CD2-CB 3.54Å; A101-A105 WeakPolarHBondContact O-CB 3.33Å; A101-A105 PolarHBondContact O-N 3.09Å; S102-A105 PolarHBondContact O-N 3.3Å; T103-A105 PolarHBondContact O-N 3.34Å; A105-L108 PolarHBondContact O-N 3.38Å; A105-A109 VanDerWaalsContact O-CB 3.31Å; A105-A109 WeakPolarHBondContact O-CB 3.42Å; A105-A109 PolarHBondContact O-N 3.09Å; A105-F128 HydrophobicContact CB-CD2 4.32Å; A105-F128 HydrophobicContact CB-CE2 3.19Å; A105-F128 HydrophobicContact CB-CZ 3.37Å
106C87.9Confident88.9Confident42 Ų4242.3 Ų42.328%0.28424%0.241SC..Hα-helixtrans-61.3-45.9176.5-70.30000111.3S102 T103 L108 A109 N110S102-C106 WeakPolarHBondContact O-CB 3.45Å; S102-C106 PolarHBondContact O-N 3.2Å; S102-C106 PolarHBondContact O-SG 2.92Å; T103-C106 PolarHBondContact O-N 2.89Å; C106-L108 VanDerWaalsContact C-N 3.33Å; C106-L108 PolarHBondContact O-N 2.98Å; C106-A109 PolarHBondContact O-N 3.49Å; C106-N110 WeakPolarHBondContact O-CB 3.38Å; C106-N110 PolarHBondContact O-N 2.85Å; C106-N110 PolarHBondContact O-ND2 2.92Å
107S89Confident88.4Confident17 Ų1746.9 Ų46.912%0.11927%0.27CS..Hα-helixtrans-64.6-36.4177.3-64.70000112.8C22 T103 L104 S111C22-S107 VanDerWaalsContact CB-CB 3.48Å; C22-S107 WeakPolarHBondContact CB-OG 3.16Å; T103-S107 WeakPolarHBondContact O-CB 3.31Å; T103-S107 PolarHBondContact O-N 3.24Å; T103-S107 PolarHBondContact O-OG 2.84Å; T103-S107 VanDerWaalsContact O-OG 3.09Å; L104-S107 PolarHBondContact O-N 3.43Å; S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.29Å; S107-S111 PolarHBondContact O-OG 2.9Å
108L88.8Confident87.8Confident3 Ų347.5 Ų47.52%0.01629%0.287CS..Hα-helixtrans-66.2-47.1174.9-179.667000111I41 V65 V68 L104 A105 C106 S111 L112 V124I41-L108 HydrophobicContact CD1-CB 3.72Å; I41-L108 HydrophobicContact CD1-CD1 4.35Å; V65-L108 HydrophobicContact CB-CD1 3.68Å; V65-L108 HydrophobicContact CG1-CD1 3.67Å; V68-L108 HydrophobicContact CB-CD2 4.13Å; V68-L108 HydrophobicContact CG1-CD2 3.75Å; V68-L108 HydrophobicContact CG2-CD1 4.11Å; V68-L108 HydrophobicContact CG2-CD2 4.28Å; L104-L108 VanDerWaalsContact O-CB 3.26Å; L104-L108 WeakPolarHBondContact O-CB 3.08Å; L104-L108 PolarHBondContact O-N 2.99Å; A105-L108 PolarHBondContact O-N 3.38Å; C106-L108 VanDerWaalsContact C-N 3.33Å; C106-L108 PolarHBondContact O-N 2.98Å; L108-S111 PolarHBondContact O-N 3.41Å; L108-L112 HydrophobicContact CD1-CD1 4.44Å; L108-L112 HydrophobicContact CG-CD1 4.15Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 2.88Å; L108-V124 HydrophobicContact CD2-CG1 4.29Å
109A86.2Confident87.2Confident12 Ų1247 Ų4710%0.09928%0.28CS..Hα-helixtrans-57.6-49.4176.300000111.4A105 C106 S111 L112 V113 M121A105-A109 VanDerWaalsContact O-CB 3.31Å; A105-A109 WeakPolarHBondContact O-CB 3.42Å; A105-A109 PolarHBondContact O-N 3.09Å; C106-A109 PolarHBondContact O-N 3.49Å; A109-S111 VanDerWaalsContact C-N 3.3Å; A109-S111 PolarHBondContact O-N 2.91Å; A109-L112 PolarHBondContact O-N 3.41Å; A109-V113 WeakPolarHBondContact O-CG2 3.36Å; A109-V113 PolarHBondContact O-N 2.75Å; A109-M121 HydrophobicContact CB-CE 3.39Å
110N86.1Confident86.4Confident92 Ų9244.1 Ų44.149%0.49226%0.263SS..Hα-helixtrans-59.7-41.6177.1-71.5-15000111.8C106 H114C106-N110 WeakPolarHBondContact O-CB 3.38Å; C106-N110 PolarHBondContact O-N 2.85Å; C106-N110 PolarHBondContact O-ND2 2.92Å; N110-H114 WeakPolarHBondContact O-CB 3.37Å; N110-H114 PolarHBondContact O-N 3.28Å
111S86.4Confident85.3Confident1 Ų145.6 Ų45.61%0.00727%0.269CS..Hα-helixtrans-64.4-42177.2-59.80000111.8I41 K43 S107 L108 A109 Y115I41-S111 VanDerWaalsContact CG2-OG 3.29Å; I41-S111 WeakPolarHBondContact CG2-OG 3.47Å; K43-S111 WeakPolarHBondContact O-CB 3.25Å; K43-S111 PolarHBondContact O-OG 2.83Å; S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.29Å; S107-S111 PolarHBondContact O-OG 2.9Å; L108-S111 PolarHBondContact O-N 3.41Å; A109-S111 VanDerWaalsContact C-N 3.3Å; A109-S111 PolarHBondContact O-N 2.91Å; S111-Y115 WeakPolarHBondContact O-CB 3.41Å; S111-Y115 VanDerWaalsContact O-CD2 3.25Å; S111-Y115 WeakPolarHBondContact O-CD2 3.41Å; S111-Y115 PolarHBondContact O-N 2.74Å
112L86.6Confident84.2Confident0 Ų053.8 Ų53.80%030%0.3CS..Hα-helixtrans-65.4-47.6177.5-75.7166000111.9V65 T66 L108 A109 H114 F116 W119 M121 V124V65-L112 HydrophobicContact CB-CD2 4.17Å; V65-L112 HydrophobicContact CB-CG 4.4Å; V65-L112 HydrophobicContact CG2-CD2 3.79Å; V65-L112 HydrophobicContact CG2-CG 4.25Å; T66-L112 HydrophobicContact CG2-CD2 4.24Å; L108-L112 HydrophobicContact CD1-CD1 4.44Å; L108-L112 HydrophobicContact CG-CD1 4.15Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 2.88Å; A109-L112 PolarHBondContact O-N 3.41Å; L112-H114 VanDerWaalsContact C-N 3.33Å; L112-H114 PolarHBondContact O-N 2.65Å; L112-F116 HydrophobicContact CD2-CD2 4.3Å; L112-F116 CarbonylContact O-C 3.45Å; L112-F116 VanDerWaalsContact O-C 3.29Å; L112-F116 VanDerWaalsContact O-CA 3.3Å; L112-F116 WeakPolarHBondContact O-CA 3.25Å; L112-F116 WeakPolarHBondContact O-CB 3.43Å; L112-F116 PolarHBondContact O-N 2.9Å; L112-W119 HydrophobicContact CD2-CD2 4.32Å; L112-W119 HydrophobicContact CD2-CG 4.05Å; L112-M121 HydrophobicContact CB-SD 4.18Å; L112-V124 HydrophobicContact CD1-CG2 3.55Å
113V85.9Confident82.6Confident85 Ų8556.2 Ų56.252%0.51531%0.305SS..Hα-helixtrans-61.9-42.5178.6172.10000111.3A109 M121A109-V113 WeakPolarHBondContact O-CG2 3.36Å; A109-V113 PolarHBondContact O-N 2.75Å; V113-M121 HydrophobicContact CG2-CE 4.26Å; V113-M121 HydrophobicContact CG2-CG 4.2Å; V113-M121 HydrophobicContact CG2-SD 3.86Å
114H84.8Confident81.2Confident126 Ų12653.3 Ų53.358%0.58329%0.287SS*.Hα-helixtrans-72.3-45.7-176.3-175.470.2000113N110 L112N110-H114 WeakPolarHBondContact O-CB 3.37Å; N110-H114 PolarHBondContact O-N 3.28Å; L112-H114 VanDerWaalsContact C-N 3.33Å; L112-H114 PolarHBondContact O-N 2.65Å
115Y84.5Confident79.5Confident70 Ų7058.2 Ų58.228%0.27531%0.313SS..Hα-helixtrans-91.9-20-174.9-68-69000114.1Y21 K43 F44 S111Y21-Y115 HydrophobicContact CE2-CE2 4.27Å; Y21-Y115 PolarHBondContact OH-OH 2.95Å; K43-Y115 HydrophobicContact CB-CE1 4.37Å; K43-Y115 HydrophobicContact CB-CE2 3.88Å; K43-Y115 WeakPolarHBondContact CG-OH 3.43Å; K43-Y115 WeakPolarHBondContact O-CE2 3.34Å; F44-Y115 HydrophobicContact CB-CD2 4.4Å; F44-Y115 HydrophobicContact CB-CG 4.34Å; S111-Y115 WeakPolarHBondContact O-CB 3.41Å; S111-Y115 VanDerWaalsContact O-CD2 3.25Å; S111-Y115 WeakPolarHBondContact O-CD2 3.41Å; S111-Y115 PolarHBondContact O-N 2.74Å
116F87Confident77.8Confident60 Ų6060 Ų6026%0.26332%0.324SS..SBendtrans-135.669.7-178.3-53.2-82.3000110.9F44 V65 T66 L112 G118 W119F44-F116 HydrophobicContact CB-CE2 3.76Å; F44-F116 HydrophobicContact CB-CZ 3.96Å; V65-F116 HydrophobicContact CG2-CD2 4.32Å; V65-F116 HydrophobicContact CG2-CE2 3.81Å; T66-F116 HydrophobicContact CG2-CD1 3.83Å; T66-F116 HydrophobicContact CG2-CD2 3.6Å; T66-F116 HydrophobicContact CG2-CE1 3.74Å; T66-F116 HydrophobicContact CG2-CE2 3.5Å; T66-F116 VanDerWaalsContact CG2-CE2 3.5Å; T66-F116 HydrophobicContact CG2-CG 3.76Å; T66-F116 HydrophobicContact CG2-CZ 3.57Å; L112-F116 HydrophobicContact CD2-CD2 4.3Å; L112-F116 CarbonylContact O-C 3.45Å; L112-F116 VanDerWaalsContact O-C 3.29Å; L112-F116 VanDerWaalsContact O-CA 3.3Å; L112-F116 WeakPolarHBondContact O-CA 3.25Å; L112-F116 WeakPolarHBondContact O-CB 3.43Å; L112-F116 PolarHBondContact O-N 2.9Å; F116-G118 PolarHBondContact O-N 3.12Å; F116-W119 HydrophobicContact CB-CB 4.07Å; F116-W119 VanDerWaalsContact O-CB 3.25Å; F116-W119 WeakPolarHBondContact O-CB 3.38Å; F116-W119 PolarHBondContact O-N 3Å
117P83.3Confident75.9Confident113 Ų11358.2 Ų58.273%0.73431%0.313SS*.THydrogen-bonded Turntrans-53130.8176.5-24.734.2000111.4
118G81.1Confident73.9Confident83 Ų8358.4 Ų58.486%0.85631%0.312SS*.THydrogen-bonded Turntrans87.21-176.100000115.1F116F116-G118 PolarHBondContact O-N 3.12Å
119W79.8Confident71.8Confident66 Ų6666.4 Ų66.425%0.2535%0.349CS..  trans-59.2132.8172.2-169.4-96.6000110.9T66 L112 F116 M121T66-W119 HydrophobicContact CG2-CD2 4.5Å; T66-W119 HydrophobicContact CG2-CE3 4.15Å; T66-W119 HydrophobicContact CG2-CH2 4.05Å; T66-W119 HydrophobicContact CG2-CZ2 4.39Å; T66-W119 HydrophobicContact CG2-CZ3 3.92Å; T66-W119 WeakPolarHBondContact O-CH2 3.37Å; T66-W119 WeakPolarHBondContact O-CZ2 3.48Å; L112-W119 HydrophobicContact CD2-CD2 4.32Å; L112-W119 HydrophobicContact CD2-CG 4.05Å; F116-W119 HydrophobicContact CB-CB 4.07Å; F116-W119 VanDerWaalsContact O-CB 3.25Å; F116-W119 WeakPolarHBondContact O-CB 3.38Å; F116-W119 PolarHBondContact O-N 3Å; W119-M121 PolarHBondContact O-N 3.14Å
120P74.1Confident69.5Low44 Ų4470.4 Ų70.429%0.28638%0.377SS..  trans-66.6101.1-176.821.7-29.8000111.6R122P120-R122 VanDerWaalsContact C-N 3.25Å; P120-R122 HydrophobicContact CB-CG 4.42Å; P120-R122 PolarHBondContact O-N 2.82Å
121M68.1Low67Low45 Ų4567.4 Ų67.422%0.22236%0.362CS..THydrogen-bonded Turntrans-68.6-18.4-177.5-73.5-57-66.800114.7A109 L112 V113 W119 W123 V124 L125A109-M121 HydrophobicContact CB-CE 3.39Å; L112-M121 HydrophobicContact CB-SD 4.18Å; V113-M121 HydrophobicContact CG2-CE 4.26Å; V113-M121 HydrophobicContact CG2-CG 4.2Å; V113-M121 HydrophobicContact CG2-SD 3.86Å; W119-M121 PolarHBondContact O-N 3.14Å; M121-W123 PolarHBondContact O-N 3.01Å; M121-V124 HydrophobicContact CE-CB 4.42Å; M121-V124 PolarHBondContact O-N 3.39Å; M121-L125 HydrophobicContact CB-CD1 4.38Å; M121-L125 PolarHBondContact O-N 2.74Å; M121-L125 VanDerWaalsContact O-N 3.15Å
122R68Low64.2Low172 Ų17277 Ų7765%0.64941%0.407SS*.Hα-helixtrans-52.2-30.8177.665.5177.7-179.7-108.23.1113.6P120 S126P120-R122 VanDerWaalsContact C-N 3.25Å; P120-R122 HydrophobicContact CB-CG 4.42Å; P120-R122 PolarHBondContact O-N 2.82Å; R122-S126 WeakPolarHBondContact O-CB 3.25Å; R122-S126 PolarHBondContact O-N 3.13Å; R122-S126 VanDerWaalsContact O-N 3.16Å; R122-S126 PolarHBondContact O-OG 2.98Å; R122-S126 VanDerWaalsContact O-OG 3.14Å
123W57.3Low61.7Low75 Ų7579.6 Ų79.628%0.28442%0.423SS..Hα-helixtrans-70.3-32.8-179.6-63.2117.5000112.8R69 Y70 M121R69-W123 CarbonylContact O-C 3.57Å; R69-W123 WeakPolarHBondContact O-CB 3.34Å; R69-W123 VanDerWaalsContact O-O 3.05Å; Y70-W123 HydrophobicContact CD1-CE3 4.23Å; Y70-W123 AromaticContact CE1-CE3 3.31Å; Y70-W123 HydrophobicContact CE1-CE3 3.31Å; Y70-W123 AromaticContact CE1-CZ3 3.56Å; Y70-W123 HydrophobicContact CE1-CZ3 3.56Å; Y70-W123 AromaticContact CZ-CE3 3.65Å; Y70-W123 AromaticContact CZ-CZ3 3.61Å; Y70-W123 WeakPolarHBondContact OH-CZ3 3.41Å; M121-W123 PolarHBondContact O-N 3.01Å
124V60.5Low58.9Low3 Ų379.9 Ų79.92%0.01843%0.429CS..Hα-helixtrans-83.7-38.1178.1-176.30000111L108 L112 M121L108-V124 HydrophobicContact CD2-CG1 4.29Å; L112-V124 HydrophobicContact CD1-CG2 3.55Å; M121-V124 HydrophobicContact CE-CB 4.42Å; M121-V124 PolarHBondContact O-N 3.39Å
125L56.2Low56.1Low106 Ų10679.8 Ų79.856%0.55544%0.437SS*.Hα-helixtrans-82.6-29.2-171.8-65.8174.1000114.9M121 A127 F128M121-L125 HydrophobicContact CB-CD1 4.38Å; M121-L125 PolarHBondContact O-N 2.74Å; M121-L125 VanDerWaalsContact O-N 3.15Å; L125-A127 PolarHBondContact O-N 3.28Å; L125-F128 PolarHBondContact O-N 3.45Å
126S51.1Low53.3Low44 Ų4482.8 Ų82.831%0.30846%0.458SS..G310 helixtrans-57.4-11.917655.50000114.1R122 E129R122-S126 WeakPolarHBondContact O-CB 3.25Å; R122-S126 PolarHBondContact O-N 3.13Å; R122-S126 VanDerWaalsContact O-N 3.16Å; R122-S126 PolarHBondContact O-OG 2.98Å; R122-S126 VanDerWaalsContact O-OG 3.14Å; S126-E129 WeakPolarHBondContact O-CG 3.3Å
127A49.5Very low50.6Low6 Ų685 Ų855%0.0547%0.472CS..G310 helixtrans-95.9-4.2-16800000113.6L71 R72 L125L71-A127 WeakPolarHBondContact O-CB 3.18Å; R72-A127 WeakPolarHBondContact CA-O 3.38Å; R72-A127 HydrophobicContact CB-CB 4.3Å; L125-A127 PolarHBondContact O-N 3.28Å
128F46.6Very low47.9Very low21 Ų2190.8 Ų90.89%0.09248%0.48CS..G310 helixtrans-105.515170.1-75-90.7000113.4L71 F73 L98 A105 L125 S130 C131 V133L71-F128 HydrophobicContact CD2-CE2 4.28Å; F73-F128 HydrophobicContact CB-CE1 4.38Å; L98-F128 HydrophobicContact CD1-CE1 4.5Å; A105-F128 HydrophobicContact CB-CD2 4.32Å; A105-F128 HydrophobicContact CB-CE2 3.19Å; A105-F128 HydrophobicContact CB-CZ 3.37Å; L125-F128 PolarHBondContact O-N 3.45Å; F128-S130 PolarHBondContact O-N 3.19Å; F128-C131 HydrophobicContact CD1-CB 4.09Å; F128-C131 CarbonylContact O-C 3.53Å; F128-C131 PolarHBondContact O-N 2.92Å; F128-V133 HydrophobicContact CB-CG2 4.01Å; F128-V133 HydrophobicContact CD1-CG2 3.33Å; F128-V133 HydrophobicContact CE1-CG2 4Å; F128-V133 HydrophobicContact CG-CG2 3.82Å
129E43.7Very low45.5Very low171 Ų17194.6 Ų94.680%0.79950%0.504SS*.THydrogen-bonded Turntrans-56.3-16.7-175.9-77.3175.5-179.400115.4S126S126-E129 WeakPolarHBondContact O-CG 3.3Å
130S39.2Very low43.8Very low96 Ų9696.1 Ų96.167%0.67152%0.517SS*.THydrogen-bonded Turntrans-103.3-2.6172.655.10000115.1F128F128-S130 PolarHBondContact O-N 3.19Å
131C33.4Very low42.2Very low29 Ų2998.8 Ų98.820%0.19653%0.529CS..SBendtrans-112.2120.6169.9-73.50000107.4L98 F128 V133L98-C131 HydrophobicContact CD1-CB 4.23Å; L98-C131 VanDerWaalsContact CD1-SG 3.5Å; F128-C131 HydrophobicContact CD1-CB 4.09Å; F128-C131 CarbonylContact O-C 3.53Å; F128-C131 PolarHBondContact O-N 2.92Å; C131-V133 HydrophobicContact CB-CG2 4.08Å; C131-V133 PolarHBondContact O-N 3.37Å
132E27.6Very low40.8Very low201 Ų201101.8 Ų101.894%0.93955%0.546SS*.  trans-60.372.7161.4-67.9178.9152.300109S134E132-S134 PolarHBondContact O-N 2.86Å
133V34Very low39.2Very low56 Ų5697.6 Ų97.634%0.33954%0.54SS..  trans-74.686.5160-177.20000103.4F128 C131 T135F128-V133 HydrophobicContact CB-CG2 4.01Å; F128-V133 HydrophobicContact CD1-CG2 3.33Å; F128-V133 HydrophobicContact CE1-CG2 4Å; F128-V133 HydrophobicContact CG-CG2 3.82Å; C131-V133 HydrophobicContact CB-CG2 4.08Å; C131-V133 PolarHBondContact O-N 3.37Å; V133-T135 PolarHBondContact O-N 2.94Å
134S26.7Very low38Very low91 Ų9199.1 Ų99.164%0.63656%0.556SS**  trans-38.3105164.535.50000108.1E132 N136E132-S134 PolarHBondContact O-N 2.86Å; S134-N136 PolarHBondContact O-N 2.86Å
135T27.2Very low36.5Very low124 Ų124105.5 Ų105.576%0.76159%0.592SS**  trans-65.472.6169.834.60000108.4V133V133-T135 PolarHBondContact O-N 2.94Å
136N24.5Very low35.1Very low133 Ų133105.4 Ų105.471%0.71159%0.594SS**  trans-10364.7158.6-79.6-18.2000107.3S134S134-N136 PolarHBondContact O-N 2.86Å
137I31.4Very low33.9Very low107 Ų107110.2 Ų110.255%0.54962%0.616SS.*SBendtrans-113.53165.3-57.6179.3000110.4
138Y25.8Very low32.6Very low233 Ų233118.8 Ų118.891%0.91466%0.664SS**  trans-126.673.5167.1-68.7-78.8000109.9
139A31Very low31.3Very low164 Ų164127.7 Ų127.7100%1.35572%0.716SS**  trans-143.50156.900000108.2

Retrieved 139 of 139 residues in 32.7 ms (Link to these results)