A0A077Z4T5_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077Z4T5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M33.7Very low63.7Low242 Ų242102 Ų102100%1.19257%0.568SS**  0110.80-65.5177.2-134.700107.4V3M1-V3 PolarHBondContact O-N 3.07Å
2S40.1Very low65.5Low123 Ų12394.3 Ų94.386%0.8652%0.524SS*.  trans-73.8110.5170.948.60000107.8S4S2-S4 PolarHBondContact O-N 3.31Å
3V46.3Very low67.3Low125 Ų12597.8 Ų97.876%0.75854%0.535SS*.PPolyproline II helixtrans-58.1122.7172.6-177.40000106.9M1M1-V3 PolarHBondContact O-N 3.07Å
4S50.8Low68.9Low93 Ų9396.7 Ų96.765%0.6552%0.524SS*.PPolyproline II helixtrans-54.2133.3173.154.60000108.2S2 Q6S2-S4 PolarHBondContact O-N 3.31Å; S4-Q6 PolarHBondContact O-N 3.24Å
5P55.9Low70.3Confident119 Ų11991.3 Ų91.377%0.77349%0.494SS*.PPolyproline II helixtrans-50.4121.9175.3-22.131.2000108.3D7P5-D7 PolarHBondContact O-N 3.24Å
6Q62.9Low71.6Confident51 Ų5188.3 Ų88.324%0.23849%0.485CS..PPolyproline II helixtrans-55.9140.4170.5-71-179.1-41.500107.3S4 E8 V11 S44S4-Q6 PolarHBondContact O-N 3.24Å; Q6-E8 PolarHBondContact O-N 2.75Å; Q6-E8 VanDerWaalsContact O-N 3.07Å; Q6-V11 HydrophobicContact CB-CG2 3.54Å; Q6-S44 PolarHBondContact OE1-OG 3.39Å
7D80Confident72.7Confident101 Ų10184.4 Ų84.454%0.5446%0.463SS..PPolyproline II helixtrans-47.1120.8175.8177.5-12000109P5 N9 Y10 V11P5-D7 PolarHBondContact O-N 3.24Å; D7-N9 PolarHBondContact O-N 2.81Å; D7-N9 WeakPolarHBondContact OD1-CB 3.41Å; D7-N9 PolarHBondContact OD1-N 3.03Å; D7-Y10 WeakPolarHBondContact O-CA 3.29Å; D7-Y10 VanDerWaalsContact O-CB 3.29Å; D7-Y10 WeakPolarHBondContact O-CB 3.42Å; D7-Y10 PolarHBondContact O-N 3.21Å; D7-V11 PolarHBondContact O-N 3.41Å
8E79.3Confident73.5Confident49 Ų4983.7 Ų83.723%0.22946%0.459CS..Hα-helixtrans-56.5-36.1-175.3-67.7-174.8169.800111.2Q6 V11 L12 V100 Q102 H120Q6-E8 PolarHBondContact O-N 2.75Å; Q6-E8 VanDerWaalsContact O-N 3.07Å; E8-V11 PolarHBondContact O-N 3.24Å; E8-L12 WeakPolarHBondContact O-CB 3.42Å; E8-L12 VanDerWaalsContact O-CG 3.24Å; E8-L12 WeakPolarHBondContact O-CG 3.49Å; E8-L12 PolarHBondContact O-N 2.95Å; E8-V100 HydrophobicContact CB-CG2 4.07Å; E8-V100 HydrophobicContact CG-CB 4.24Å; E8-V100 HydrophobicContact CG-CG2 4.15Å; E8-Q102 PolarHBondContact OE1-NE2 2.81Å; E8-H120 IonicContact OE2-CG 3.68Å; E8-H120 IonicContact OE2-ND1 3.25Å; E8-H120 PolarHBondContact OE2-ND1 3.02Å
9N81.8Confident73.9Confident101 Ų10184.3 Ų84.354%0.5446%0.462SS..Hα-helixtrans-65.5-41.8176.8-68.9-48.5000111.2D7 L12 Q13D7-N9 PolarHBondContact O-N 2.81Å; D7-N9 WeakPolarHBondContact OD1-CB 3.41Å; D7-N9 PolarHBondContact OD1-N 3.03Å; N9-L12 PolarHBondContact O-N 3.45Å; N9-Q13 WeakPolarHBondContact O-CB 3.36Å; N9-Q13 VanDerWaalsContact O-CG 3.23Å; N9-Q13 WeakPolarHBondContact O-CG 3.38Å; N9-Q13 PolarHBondContact O-N 3.25Å
10Y84.8Confident73.9Confident118 Ų11882.9 Ų82.946%0.46346%0.458SS..Hα-helixtrans-59.9-49.6174.3175.9-95.9000110.3D7 L12 Q13 Q14D7-Y10 WeakPolarHBondContact O-CA 3.29Å; D7-Y10 VanDerWaalsContact O-CB 3.29Å; D7-Y10 WeakPolarHBondContact O-CB 3.42Å; D7-Y10 PolarHBondContact O-N 3.21Å; Y10-L12 PolarHBondContact O-N 3.46Å; Y10-Q13 PolarHBondContact O-N 2.94Å; Y10-Q14 HydrophobicContact CE1-CG 4.23Å; Y10-Q14 HydrophobicContact CE2-CG 4.45Å; Y10-Q14 WeakPolarHBondContact O-CG 3.39Å; Y10-Q14 PolarHBondContact O-N 3.18Å
11V84.5Confident74.3Confident0 Ų084.4 Ų84.40%046%0.46CS..Hα-helixtrans-57.1-49.5179.1174.60000111.2Q6 D7 E8 Q13 Q14 I15 T42 V46 V100Q6-V11 HydrophobicContact CB-CG2 3.54Å; D7-V11 PolarHBondContact O-N 3.41Å; E8-V11 PolarHBondContact O-N 3.24Å; V11-Q13 PolarHBondContact O-N 3.07Å; V11-Q14 PolarHBondContact O-N 2.93Å; V11-I15 WeakPolarHBondContact O-CG1 3.29Å; V11-T42 HydrophobicContact CG1-CG2 4.06Å; V11-V46 HydrophobicContact CG1-CG1 3.84Å; V11-V100 HydrophobicContact CB-CG2 3.83Å; V11-V100 HydrophobicContact CG1-CG1 4.44Å; V11-V100 HydrophobicContact CG1-CG2 3.64Å
12L86.4Confident76.4Confident9 Ų973.2 Ų73.25%0.04741%0.405CS..Hα-helixtrans-65.2-36.8-176.6-70.9175.2000112.9E8 N9 Y10 Q14 I15 I98 V100 L122E8-L12 WeakPolarHBondContact O-CB 3.42Å; E8-L12 VanDerWaalsContact O-CG 3.24Å; E8-L12 WeakPolarHBondContact O-CG 3.49Å; E8-L12 PolarHBondContact O-N 2.95Å; N9-L12 PolarHBondContact O-N 3.45Å; Y10-L12 PolarHBondContact O-N 3.46Å; L12-Q14 VanDerWaalsContact C-N 3.26Å; L12-Q14 PolarHBondContact O-N 3.01Å; L12-I15 PolarHBondContact O-N 3.15Å; L12-I98 HydrophobicContact CD2-CB 4.22Å; L12-I98 HydrophobicContact CD2-CG2 3.83Å; L12-V100 HydrophobicContact CD2-CG2 4.24Å; L12-V100 HydrophobicContact CG-CG2 4.13Å; L12-L122 HydrophobicContact CB-CB 4.22Å; L12-L122 HydrophobicContact CD1-CB 4.33Å; L12-L122 HydrophobicContact CD2-CB 4.24Å
13Q88Confident78.5Confident141 Ų14173.3 Ų73.366%0.65939%0.387SS*.Hα-helixtrans-66.7-27.2177-75173.912.700113.2N9 Y10 V11 I15N9-Q13 WeakPolarHBondContact O-CB 3.36Å; N9-Q13 VanDerWaalsContact O-CG 3.23Å; N9-Q13 WeakPolarHBondContact O-CG 3.38Å; N9-Q13 PolarHBondContact O-N 3.25Å; Y10-Q13 PolarHBondContact O-N 2.94Å; V11-Q13 PolarHBondContact O-N 3.07Å; Q13-I15 VanDerWaalsContact C-N 3.32Å
14Q90.2Very high80.1Confident82 Ų8268 Ų6838%0.38335%0.354SS..THydrogen-bonded Turntrans-80.8-12.5178.3-62.7-55.7-55.500113.3Y10 V11 L12 A16 P41 T42Y10-Q14 HydrophobicContact CE1-CG 4.23Å; Y10-Q14 HydrophobicContact CE2-CG 4.45Å; Y10-Q14 WeakPolarHBondContact O-CG 3.39Å; Y10-Q14 PolarHBondContact O-N 3.18Å; V11-Q14 PolarHBondContact O-N 2.93Å; L12-Q14 VanDerWaalsContact C-N 3.26Å; L12-Q14 PolarHBondContact O-N 3.01Å; Q14-A16 PolarHBondContact O-N 3.1Å; Q14-P41 HydrophobicContact CB-CG 4.03Å; Q14-P41 VanDerWaalsContact O-CD 3.25Å; Q14-P41 WeakPolarHBondContact O-CD 3.43Å; Q14-P41 VanDerWaalsContact O-CG 3.23Å; Q14-P41 WeakPolarHBondContact O-CG 3.39Å; Q14-T42 HydrophobicContact CB-CG2 3.64Å; Q14-T42 HydrophobicContact CG-CG2 4.27Å
15I90Very high81.7Confident16 Ų1669.5 Ų69.58%0.08235%0.354CS..  trans-72.2116.3-179.9-54.6-55.4000109.9V11 L12 Q13 I38 N40 T42 V46 I98V11-I15 WeakPolarHBondContact O-CG1 3.29Å; L12-I15 PolarHBondContact O-N 3.15Å; Q13-I15 VanDerWaalsContact C-N 3.32Å; I15-I38 HydrophobicContact CG2-CG2 3.61Å; I15-N40 HydrophobicContact CD1-CB 3.89Å; I15-N40 WeakPolarHBondContact CD1-OD1 3.36Å; I15-T42 HydrophobicContact CD1-CG2 4.41Å; I15-V46 HydrophobicContact CD1-CG1 3.95Å; I15-V46 HydrophobicContact CD1-CG2 4.07Å; I15-V46 HydrophobicContact CG1-CG1 4.42Å; I15-I98 HydrophobicContact CB-CD1 4.38Å; I15-I98 HydrophobicContact CG1-CG2 4.4Å; I15-I98 HydrophobicContact CG2-CD1 3.53Å
16A91.8Very high83Confident42 Ų4265.4 Ų65.435%0.34733%0.327SS..EExtended strand (participates in β ladder)trans-93.4139.3178.500000110.8Q14 I38 T39Q14-A16 PolarHBondContact O-N 3.1Å; A16-I38 CarbonylContact O-C 3.54Å; A16-I38 WeakPolarHBondContact O-CA 3.26Å; A16-T39 PolarHBondContact N-O 3.27Å; A16-T39 PolarHBondContact O-N 3.37Å
17I90Very high84.1Confident23 Ų2364 Ų6412%0.11832%0.323CS..EExtended strand (participates in β ladder)trans-122.7109171.3-60.8174.8000108.6V36 R37 I38 I96 I98 L124 L126I17-V36 HydrophobicContact CG2-CG1 3.59Å; I17-R37 CarbonylContact C-O 3.55Å; I17-R37 WeakPolarHBondContact CA-O 3.35Å; I17-I38 HydrophobicContact CG1-CG1 4.29Å; I17-I38 HydrophobicContact CG1-CG2 4.32Å; I17-I96 HydrophobicContact CD1-CB 4.27Å; I17-I96 HydrophobicContact CD1-CD1 4.06Å; I17-I96 HydrophobicContact CD1-CG2 4.32Å; I17-I96 HydrophobicContact CG2-CD1 4.32Å; I17-I98 HydrophobicContact CD1-CD1 4.08Å; I17-L124 HydrophobicContact CB-CD2 3.73Å; I17-L124 HydrophobicContact CD1-CB 3.78Å; I17-L124 HydrophobicContact CD1-CD2 3.39Å; I17-L124 HydrophobicContact CD1-CG 4.12Å; I17-L124 HydrophobicContact CG1-CD2 3.97Å; I17-L124 HydrophobicContact CG2-CD2 4.23Å; I17-L126 HydrophobicContact CG2-CD2 4.04Å
18D87.4Confident84.5Confident72 Ų7264.2 Ų64.239%0.38532%0.324SS..EExtended strand (participates in β ladder)trans-79.6151.2175.9-52.6-34.4000109.6R37D18-R37 HydrophobicContact CB-CB 4.16Å; D18-R37 PolarHBondContact N-O 3.15Å; D18-R37 WeakPolarHBondContact OD2-CD 3.37Å
19N79.9Confident85Confident95 Ų9570.4 Ų70.451%0.50835%0.35SS..  trans57.152.2-177-57-22.5000112.5K21 K35N19-K21 PolarHBondContact O-N 3.21Å; N19-K35 PolarHBondContact ND2-O 3.3Å; N19-K35 VanDerWaalsContact ND2-O 3.1Å
20S75Confident85.4Confident55 Ų5570.5 Ų70.539%0.38535%0.348SS..SBendtrans-60.9-16.1176.366.60000113.4L126 Y127S20-L126 VanDerWaalsContact CA-CD2 3.41Å; S20-L126 CarbonylContact O-C 3.58Å; S20-L126 WeakPolarHBondContact O-CA 3.37Å; S20-L126 WeakPolarHBondContact O-CD2 3.22Å; S20-Y127 PolarHBondContact O-N 3.26Å
21K80.5Confident85.8Confident115 Ų11569 Ų6950%0.535%0.345SS..BIsolated β-bridgetrans-120.2136.1169.9-55.7-175.4-179.9172.90111N19 Y23 Y127N19-K21 PolarHBondContact O-N 3.21Å; K21-Y23 HydrophobicContact CB-CE2 4.2Å; K21-Y127 WeakPolarHBondContact CA-O 3.23Å; K21-Y127 WeakPolarHBondContact CB-O 3.4Å; K21-Y127 HydrophobicContact CD-CD1 4.45Å; K21-Y127 VanDerWaalsContact CG-O 3.3Å; K21-Y127 WeakPolarHBondContact CG-O 2.99Å
22I79.4Confident86.1Confident8 Ų872.1 Ų72.14%0.04136%0.358CS..  trans-123.9147.2179.8-39.4-177.9000106.5D34 V36 V77 R128I22-D34 HydrophobicContact CG2-CB 3.39Å; I22-D34 VanDerWaalsContact CG2-CG 3.45Å; I22-D34 WeakPolarHBondContact CG2-OD2 3.44Å; I22-V36 HydrophobicContact CD1-CG2 3.42Å; I22-V36 VanDerWaalsContact CD1-CG2 3.42Å; I22-V36 HydrophobicContact CG1-CG2 4.15Å; I22-V77 HydrophobicContact CD1-CB 4.14Å; I22-V77 HydrophobicContact CD1-CG1 4.14Å; I22-V77 HydrophobicContact CD1-CG2 3.66Å; I22-R128 VanDerWaalsContact C-NH2 3.28Å; I22-R128 WeakPolarHBondContact O-CA 3.24Å; I22-R128 WeakPolarHBondContact O-CB 3.4Å; I22-R128 WeakPolarHBondContact O-CD 3.05Å; I22-R128 WeakPolarHBondContact O-CG 3.47Å; I22-R128 PolarHBondContact O-NE 3.09Å
23Y82.8Confident86.3Confident125 Ų12574.6 Ų74.649%0.4938%0.377SS..  trans-126.2123.1176.1-63.4-92.4000110.2K21 R128 S129K21-Y23 HydrophobicContact CB-CE2 4.2Å; Y23-R128 VanDerWaalsContact C-NE 3.26Å; Y23-R128 VanDerWaalsContact CA-NH2 3.33Å; Y23-R128 PolarHBondContact O-NH2 3.33Å; Y23-S129 WeakPolarHBondContact CD1-O 3.45Å; Y23-S129 WeakPolarHBondContact CE1-OG 3.12Å
24I81.3Confident86.5Confident12 Ų1270.7 Ų70.76%0.06236%0.36CS..  trans-137.1128.4-177.5-86.8157.2000104.1P26 K32 F79 R128 Y130I24-P26 WeakPolarHBondContact O-CD 3.4Å; I24-K32 HydrophobicContact CB-CB 4.47Å; I24-K32 HydrophobicContact CD1-CB 4.15Å; I24-K32 HydrophobicContact CG1-CB 3.83Å; I24-K32 HydrophobicContact CG2-CB 3.76Å; I24-K32 HydrophobicContact CG2-CG 3.96Å; I24-F79 HydrophobicContact CD1-CB 3.65Å; I24-F79 HydrophobicContact CG2-CB 3.92Å; I24-F79 HydrophobicContact CG2-CD1 4.17Å; I24-F79 HydrophobicContact CG2-CG 3.97Å; I24-R128 VanDerWaalsContact CD1-CZ 3.48Å; I24-Y130 VanDerWaalsContact O-CD1 3.23Å; I24-Y130 WeakPolarHBondContact O-CD1 3.39Å; I24-Y130 WeakPolarHBondContact O-CE1 3.48Å
25I83.1Confident86.5Confident125 Ų12573 Ų7364%0.64137%0.369SS*.  trans-88.5113.7166.8-59172.4000105.5
26P84.3Confident86.6Confident33 Ų3372.3 Ų72.321%0.21437%0.365CS..  trans-54.5146175-25.936.4000111.1I24 F79 L82 F87 Y130I24-P26 WeakPolarHBondContact O-CD 3.4Å; P26-F79 HydrophobicContact CB-CE1 3.76Å; P26-F79 HydrophobicContact CB-CZ 4.2Å; P26-F79 HydrophobicContact CG-CE1 4.11Å; P26-F79 HydrophobicContact CG-CZ 4.12Å; P26-L82 HydrophobicContact CB-CD1 3.76Å; P26-L82 HydrophobicContact CB-CD2 4.16Å; P26-L82 HydrophobicContact CB-CG 4.06Å; P26-F87 HydrophobicContact CB-CD1 4.36Å; P26-F87 HydrophobicContact CB-CE1 4.16Å; P26-F87 HydrophobicContact CG-CD1 4.22Å; P26-F87 HydrophobicContact CG-CE1 3.58Å; P26-F87 HydrophobicContact CG-CZ 3.95Å; P26-Y130 HydrophobicContact CG-CD1 4.23Å; P26-Y130 HydrophobicContact CG-CE1 3.8Å
27S86.4Confident86.6Confident21 Ų2176.1 Ų76.115%0.14737%0.371CS..  trans-137.6143.7176.1179.10000109.1K29 E30 K81 L82S27-K29 PolarHBondContact OG-N 3.14Å; S27-K29 VanDerWaalsContact OG-N 3.09Å; S27-E30 PolarHBondContact OG-N 2.72Å; S27-K81 CarbonylContact O-C 3.42Å; S27-K81 WeakPolarHBondContact O-CA 3.38Å; S27-K81 WeakPolarHBondContact O-CB 3.34Å; S27-L82 PolarHBondContact O-N 2.83Å
28D87.4Confident86.8Confident107 Ų10775 Ų7557%0.57237%0.365SS*.SBendtrans-84.4-17.3168.758.4-15.6000112.6L82D28-L82 HydrophobicContact CB-CB 4.35Å
29K89.9Confident87.1Confident178 Ų17873.2 Ų73.277%0.77436%0.357SS*.SBendtrans-88.8-43.4-178.2-63.5-178.9-174.8-177.90113S27S27-K29 PolarHBondContact OG-N 3.14Å; S27-K29 VanDerWaalsContact OG-N 3.09Å
30E91.4Very high87.8Confident104 Ų10468.7 Ų68.749%0.48633%0.333SS..SBendtrans-136.2152.5-171.461.5178.7171.600113.2S27 K32S27-E30 PolarHBondContact OG-N 2.72Å; E30-K32 HydrophobicContact CG-CD 4.29Å; E30-K32 WeakPolarHBondContact OE1-CE 3.23Å; E30-K32 IonicContact OE1-NZ 2.59Å; E30-K32 PolarHBondContact OE1-NZ 3.42Å
31E91.9Very high88.8Confident87 Ų8768.7 Ų68.741%0.40733%0.332SS..  trans-73.9144.7166.966.2171.9-150.500110.1K78 F79 H80E31-K78 IonicContact OE1-NZ 2.75Å; E31-F79 WeakPolarHBondContact CA-O 3.35Å; E31-H80 IonicContact OE2-ND1 3.63Å
32K91Very high89.4Confident64 Ų6463.5 Ų63.528%0.27831%0.31SS..EExtended strand (participates in β ladder)trans-106.8148.6172.4-57-61.6-161.31730109.4I24 E30 K78 F79I24-K32 HydrophobicContact CB-CB 4.47Å; I24-K32 HydrophobicContact CD1-CB 4.15Å; I24-K32 HydrophobicContact CG1-CB 3.83Å; I24-K32 HydrophobicContact CG2-CB 3.76Å; I24-K32 HydrophobicContact CG2-CG 3.96Å; E30-K32 HydrophobicContact CG-CD 4.29Å; E30-K32 WeakPolarHBondContact OE1-CE 3.23Å; E30-K32 IonicContact OE1-NZ 2.59Å; E30-K32 PolarHBondContact OE1-NZ 3.42Å; K32-K78 CarbonylContact O-C 3.49Å; K32-K78 WeakPolarHBondContact O-CA 3.36Å; K32-F79 PolarHBondContact N-O 2.95Å; K32-F79 PolarHBondContact O-N 3.01Å
33S90.8Very high90Very high62 Ų6268 Ų6843%0.43433%0.334SS..EExtended strand (participates in β ladder)trans-141.1153174.771.10000112.2K76 V77S33-K76 WeakPolarHBondContact OG-CE 3.22Å; S33-V77 CarbonylContact C-O 3.59Å; S33-V77 WeakPolarHBondContact CA-O 3.4Å; S33-V77 WeakPolarHBondContact CB-O 3.46Å
34D91.2Very high90.2Very high58 Ų5863 Ų6331%0.3132%0.317SS..EExtended strand (participates in β ladder)trans-144.4178.2174.9-150.2-25000109.5I22 V77I22-D34 HydrophobicContact CG2-CB 3.39Å; I22-D34 VanDerWaalsContact CG2-CG 3.45Å; I22-D34 WeakPolarHBondContact CG2-OD2 3.44Å; D34-V77 PolarHBondContact N-O 3.21Å; D34-V77 PolarHBondContact O-N 3Å
35K91.3Very high90.6Very high131 Ų13163.7 Ų63.757%0.5732%0.323SS*.EExtended strand (participates in β ladder)trans-128.3135.5-175.6-62.9177.4-177175.50111.4N19 T74 L75N19-K35 PolarHBondContact ND2-O 3.3Å; N19-K35 VanDerWaalsContact ND2-O 3.1Å; K35-T74 HydrophobicContact CB-CG2 3.91Å; K35-T74 HydrophobicContact CD-CG2 4.02Å; K35-T74 HydrophobicContact CG-CG2 4.1Å; K35-L75 WeakPolarHBondContact CA-O 3.38Å
36V90.9Very high90.8Very high1 Ų157.7 Ų57.71%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-118.8131.5170.4174.30000107.5I17 I22 L75 V77 I96 L126I17-V36 HydrophobicContact CG2-CG1 3.59Å; I22-V36 HydrophobicContact CD1-CG2 3.42Å; I22-V36 VanDerWaalsContact CD1-CG2 3.42Å; I22-V36 HydrophobicContact CG1-CG2 4.15Å; V36-L75 PolarHBondContact N-O 2.84Å; V36-L75 PolarHBondContact O-N 3.04Å; V36-V77 HydrophobicContact CG2-CG2 3.87Å; V36-I96 HydrophobicContact CG1-CD1 4.11Å; V36-L126 HydrophobicContact CG1-CD1 4.41Å; V36-L126 HydrophobicContact CG2-CD1 4.27Å
37R93.3Very high91Very high122 Ų12256.1 Ų56.146%0.4628%0.282SS..EExtended strand (participates in β ladder)trans-106.1131.2176.8-177.5177.2175.9166.42.3109.4I17 D18 T39 L73I17-R37 CarbonylContact C-O 3.55Å; I17-R37 WeakPolarHBondContact CA-O 3.35Å; D18-R37 HydrophobicContact CB-CB 4.16Å; D18-R37 PolarHBondContact N-O 3.15Å; D18-R37 WeakPolarHBondContact OD2-CD 3.37Å; R37-T39 PolarHBondContact NE-OG1 2.85Å; R37-L73 WeakPolarHBondContact CA-O 3.26Å
38I92.7Very high91.1Very high0 Ų055.1 Ų55.10%028%0.275CS..EExtended strand (participates in β ladder)trans-106126.4167.7-50.1176.6000107.1I15 A16 I17 F48 I67 G72 L73 L75 I96 I98I15-I38 HydrophobicContact CG2-CG2 3.61Å; A16-I38 CarbonylContact O-C 3.54Å; A16-I38 WeakPolarHBondContact O-CA 3.26Å; I17-I38 HydrophobicContact CG1-CG1 4.29Å; I17-I38 HydrophobicContact CG1-CG2 4.32Å; I38-F48 HydrophobicContact CD1-CB 4.31Å; I38-F48 HydrophobicContact CD1-CD2 4.35Å; I38-F48 HydrophobicContact CD1-CG 4.18Å; I38-I67 HydrophobicContact CB-CD1 3.61Å; I38-I67 HydrophobicContact CD1-CD1 4.22Å; I38-I67 HydrophobicContact CG2-CD1 3.38Å; I38-G72 CarbonylContact O-C 3.56Å; I38-G72 WeakPolarHBondContact O-CA 3.5Å; I38-L73 PolarHBondContact N-O 2.78Å; I38-L73 PolarHBondContact O-N 2.83Å; I38-L75 HydrophobicContact CD1-CD1 3.71Å; I38-L75 HydrophobicContact CD1-CG 4.37Å; I38-L75 HydrophobicContact CG1-CD1 4.24Å; I38-I96 HydrophobicContact CD1-CD1 4.12Å; I38-I96 HydrophobicContact CD1-CG2 3.82Å; I38-I96 HydrophobicContact CG1-CD1 4.38Å; I38-I98 HydrophobicContact CG2-CD1 4.1Å
39T95.4Very high91.2Very high34 Ų3454 Ų5421%0.20927%0.265CS..EExtended strand (participates in β ladder)trans-116.2127.2178.7-60.20000109.6A16 R37 P41A16-T39 PolarHBondContact N-O 3.27Å; A16-T39 PolarHBondContact O-N 3.37Å; R37-T39 PolarHBondContact NE-OG1 2.85Å; T39-P41 WeakPolarHBondContact O-CD 3.18Å
40N94Very high91.2Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-108.494.2174.7178.314.3000109.5I15 T42 S44 V46 I67 K68 Q70 S71I15-N40 HydrophobicContact CD1-CB 3.89Å; I15-N40 WeakPolarHBondContact CD1-OD1 3.36Å; N40-T42 PolarHBondContact O-N 3.27Å; N40-T42 WeakPolarHBondContact OD1-CB 3.31Å; N40-T42 PolarHBondContact OD1-N 3Å; N40-T42 VanDerWaalsContact OD1-N 3.09Å; N40-T42 PolarHBondContact OD1-OG1 3.17Å; N40-S44 PolarHBondContact ND2-O 2.92Å; N40-V46 HydrophobicContact CB-CG2 4.2Å; N40-I67 HydrophobicContact CB-CB 4.36Å; N40-I67 HydrophobicContact CB-CG2 3.65Å; N40-I67 PolarHBondContact ND2-O 2.98Å; N40-K68 PolarHBondContact ND2-O 3.19Å; N40-Q70 CarbonylContact O-C 3.58Å; N40-Q70 VanDerWaalsContact O-CA 3.32Å; N40-Q70 WeakPolarHBondContact O-CA 3.21Å; N40-Q70 PolarHBondContact O-N 3.41Å; N40-S71 CarbonylContact C-O 3.49Å; N40-S71 WeakPolarHBondContact CA-O 3.33Å; N40-S71 PolarHBondContact N-O 2.82Å; N40-S71 PolarHBondContact O-N 3Å
41P95.7Very high91Very high56 Ų5647.3 Ų47.336%0.36424%0.235SC..  trans-83.79.1177.837.4-38.2000112.7Q14 T39 Q70Q14-P41 HydrophobicContact CB-CG 4.03Å; Q14-P41 VanDerWaalsContact O-CD 3.25Å; Q14-P41 WeakPolarHBondContact O-CD 3.43Å; Q14-P41 VanDerWaalsContact O-CG 3.23Å; Q14-P41 WeakPolarHBondContact O-CG 3.39Å; T39-P41 WeakPolarHBondContact O-CD 3.18Å; P41-Q70 PolarHBondContact O-NE2 3.23Å; P41-Q70 PolarHBondContact O-OE1 2.83Å
42T92.7Very high90.9Very high6 Ų644.6 Ų44.64%0.03723%0.226CC..SBendtrans-94.7172-173.880.20000111.7V11 Q14 I15 N40 S44 P69 Q70V11-T42 HydrophobicContact CG1-CG2 4.06Å; Q14-T42 HydrophobicContact CB-CG2 3.64Å; Q14-T42 HydrophobicContact CG-CG2 4.27Å; I15-T42 HydrophobicContact CD1-CG2 4.41Å; N40-T42 PolarHBondContact O-N 3.27Å; N40-T42 WeakPolarHBondContact OD1-CB 3.31Å; N40-T42 PolarHBondContact OD1-N 3Å; N40-T42 VanDerWaalsContact OD1-N 3.09Å; N40-T42 PolarHBondContact OD1-OG1 3.17Å; T42-S44 VanDerWaalsContact C-N 3.27Å; T42-S44 PolarHBondContact OG1-N 3.44Å; T42-S44 PolarHBondContact OG1-O 3.45Å; T42-P69 VanDerWaalsContact O-CA 3.31Å; T42-P69 WeakPolarHBondContact O-CA 3.47Å; T42-P69 WeakPolarHBondContact O-CB 3.4Å; T42-Q70 PolarHBondContact O-N 3.29Å; T42-Q70 PolarHBondContact O-NE2 3.45Å
43N92.3Very high90.8Very high102 Ų10245 Ų4555%0.54523%0.234SC..SBendtrans-88.95.5174.5-65.5-24.1000112.7Q70N43-Q70 PolarHBondContact OD1-NE2 2.95Å
44S87.6Confident90.7Very high20 Ų2044.8 Ų44.814%0.1422%0.224CC..SBendtrans-109.6143.5-179.1-58.70000110.4Q6 N40 T42Q6-S44 PolarHBondContact OE1-OG 3.39Å; N40-S44 PolarHBondContact ND2-O 2.92Å; T42-S44 VanDerWaalsContact C-N 3.27Å; T42-S44 PolarHBondContact OG1-N 3.44Å; T42-S44 PolarHBondContact OG1-O 3.45Å
45S88.9Confident90.6Very high26 Ų2646.6 Ų46.618%0.18224%0.238CC..  trans-72.4143.8169-69.60000110I67 P69 V101S45-I67 WeakPolarHBondContact CA-O 3.48Å; S45-P69 WeakPolarHBondContact OG-CD 3.34Å; S45-V101 PolarHBondContact O-N 2.89Å
46V87.6Confident90.5Very high0 Ų049.4 Ų49.40%025%0.251CS..EExtended strand (participates in β ladder)trans-125.1138174-600000111.2V11 I15 N40 V66 I67 I98 A99V11-V46 HydrophobicContact CG1-CG1 3.84Å; I15-V46 HydrophobicContact CD1-CG1 3.95Å; I15-V46 HydrophobicContact CD1-CG2 4.07Å; I15-V46 HydrophobicContact CG1-CG1 4.42Å; N40-V46 HydrophobicContact CB-CG2 4.2Å; V46-V66 CarbonylContact O-C 3.49Å; V46-V66 WeakPolarHBondContact O-CA 3.4Å; V46-I67 HydrophobicContact CG2-CB 3.9Å; V46-I67 HydrophobicContact CG2-CD1 4.35Å; V46-I67 HydrophobicContact CG2-CG1 4.46Å; V46-I67 PolarHBondContact N-O 3.33Å; V46-I67 PolarHBondContact O-N 2.77Å; V46-I98 HydrophobicContact CB-CG2 3.91Å; V46-I98 HydrophobicContact CG1-CG2 4.45Å; V46-I98 HydrophobicContact CG2-CG2 4.16Å; V46-A99 CarbonylContact C-O 3.58Å; V46-A99 VanDerWaalsContact CA-O 3.29Å; V46-A99 WeakPolarHBondContact CA-O 3.42Å
47A88.5Confident90.4Very high0 Ų051 Ų510%026%0.258CS..EExtended strand (participates in β ladder)trans-92.5145.8171.200000109.5G65 V66 I98 A99 V101 F112 W113A47-G65 CarbonylContact C-O 3.6Å; A47-G65 WeakPolarHBondContact CA-O 3.48Å; A47-V66 HydrophobicContact CB-CG2 4.39Å; A47-I98 WeakPolarHBondContact O-CA 3.17Å; A47-A99 PolarHBondContact N-O 3.02Å; A47-A99 PolarHBondContact O-N 3.31Å; A47-V101 HydrophobicContact CB-CG2 3.8Å; A47-F112 HydrophobicContact CB-CD1 3.66Å; A47-F112 HydrophobicContact CB-CD2 4.49Å; A47-F112 HydrophobicContact CB-CE1 3.41Å; A47-F112 VanDerWaalsContact CB-CE1 3.41Å; A47-F112 HydrophobicContact CB-CE2 4.29Å; A47-F112 HydrophobicContact CB-CG 4.22Å; A47-F112 HydrophobicContact CB-CZ 3.75Å; A47-W113 HydrophobicContact CB-CZ2 3.85Å
48F89.4Confident90.2Very high0 Ų045.6 Ų45.60%024%0.238CC..EExtended strand (participates in β ladder)trans-127.3154170.973.3-83.2000112.2I38 V50 P62 S64 G65 I67 L73 L75 I96 V97 I98I38-F48 HydrophobicContact CD1-CB 4.31Å; I38-F48 HydrophobicContact CD1-CD2 4.35Å; I38-F48 HydrophobicContact CD1-CG 4.18Å; F48-V50 HydrophobicContact CD2-CG2 4.09Å; F48-V50 HydrophobicContact CE2-CG2 4.35Å; F48-P62 HydrophobicContact CE2-CG 4.45Å; F48-P62 HydrophobicContact CZ-CG 3.88Å; F48-S64 VanDerWaalsContact CZ-C 3.42Å; F48-S64 WeakPolarHBondContact O-CA 3.37Å; F48-S64 VanDerWaalsContact O-CB 3.26Å; F48-S64 WeakPolarHBondContact O-CB 3.46Å; F48-G65 WeakPolarHBondContact CD1-O 3.18Å; F48-G65 VanDerWaalsContact CE1-N 3.34Å; F48-G65 VanDerWaalsContact CZ-N 3.26Å; F48-G65 PolarHBondContact N-O 3.26Å; F48-G65 PolarHBondContact O-N 3.31Å; F48-G65 VanDerWaalsContact O-N 3.08Å; F48-I67 HydrophobicContact CD1-CD1 4.04Å; F48-I67 HydrophobicContact CD1-CG1 3.88Å; F48-I67 HydrophobicContact CE1-CG1 4.14Å; F48-L73 HydrophobicContact CD1-CD2 4.28Å; F48-L73 HydrophobicContact CE1-CD2 3.22Å; F48-L73 HydrophobicContact CE2-CD2 4.35Å; F48-L73 HydrophobicContact CZ-CD2 3.28Å; F48-L75 HydrophobicContact CD2-CD1 4.45Å; F48-L75 HydrophobicContact CE2-CD1 4.28Å; F48-L75 HydrophobicContact CE2-CD2 3.71Å; F48-L75 HydrophobicContact CZ-CD2 3.84Å; F48-I96 HydrophobicContact CB-CG2 4.31Å; F48-V97 CarbonylContact C-O 3.56Å; F48-V97 WeakPolarHBondContact CA-O 3.39Å; F48-I98 HydrophobicContact CB-CG1 4.41Å
49K89.3Confident90.2Very high83 Ų8347.6 Ų47.636%0.36125%0.25SS..EExtended strand (participates in β ladder)trans-142.9135.5169.1-178.1172.9-177.1174.20109.9V97 W113K49-V97 PolarHBondContact N-O 3.34Å; K49-V97 PolarHBondContact O-N 2.94Å; K49-W113 HydrophobicContact CB-CD2 4.12Å; K49-W113 HydrophobicContact CB-CH2 4.34Å; K49-W113 HydrophobicContact CB-CZ2 3.74Å; K49-W113 HydrophobicContact CD-CD2 4.17Å; K49-W113 HydrophobicContact CD-CG 4Å
50V89.2Confident90Very high18 Ų1847 Ų4711%0.10925%0.246CC..EExtended strand (participates in β ladder)trans-104135.2-179.8-166.10000110.2F48 I60 P63 L75 T95 I96F48-V50 HydrophobicContact CD2-CG2 4.09Å; F48-V50 HydrophobicContact CE2-CG2 4.35Å; V50-I60 HydrophobicContact CB-CB 4.37Å; V50-I60 HydrophobicContact CG1-CB 4.15Å; V50-I60 HydrophobicContact CG1-CD1 3.62Å; V50-I60 HydrophobicContact CG1-CG1 3.85Å; V50-I60 HydrophobicContact CG2-CB 4.49Å; V50-I60 HydrophobicContact CG2-CG2 4.16Å; V50-P63 PolarHBondContact N-O 3.38Å; V50-L75 HydrophobicContact CG2-CD1 4.01Å; V50-T95 CarbonylContact C-O 3.53Å; V50-T95 WeakPolarHBondContact CA-O 3.3Å; V50-I96 HydrophobicContact CG1-CG1 4.4Å; V50-I96 HydrophobicContact CG2-CG1 4.25Å
51K88.4Confident90Very high123 Ų12349.4 Ų49.454%0.53527%0.265SS..EExtended strand (participates in β ladder)trans-119146172.4-60.3-179.2-179-179.90109.1L94 T95K51-L94 CarbonylContact O-C 3.54Å; K51-L94 WeakPolarHBondContact O-CA 3.34Å; K51-T95 PolarHBondContact N-O 3.23Å; K51-T95 PolarHBondContact O-N 2.94Å
52S89.1Confident90Very high30 Ų3049.2 Ų49.221%0.2126%0.264CS..EExtended strand (participates in β ladder)trans-126.5143.4180-178.60000109.8R54 L58 R93 L94S52-R54 VanDerWaalsContact OG-C 3.26Å; S52-R54 PolarHBondContact OG-N 2.98Å; S52-R54 PolarHBondContact OG-O 2.9Å; S52-L58 VanDerWaalsContact CB-O 3.27Å; S52-L58 WeakPolarHBondContact CB-O 3.35Å; S52-L58 PolarHBondContact OG-O 3.08Å; S52-R93 WeakPolarHBondContact CA-O 3.36Å; S52-L94 VanDerWaalsContact CB-CD2 3.41Å; S52-L94 WeakPolarHBondContact OG-CD2 3.06Å
53T89.5Confident90Very high72 Ų7252.8 Ų52.844%0.44229%0.288SS..SBendtrans-71.7-17.5166.855.10000112.2D92 R93T53-D92 VanDerWaalsContact OG1-CA 3.26Å; T53-D92 WeakPolarHBondContact OG1-CA 3.46Å; T53-D92 PolarHBondContact OG1-OD1 2.8Å; T53-R93 HydrophobicContact CG2-CB 3.9Å; T53-R93 PolarHBondContact N-O 2.76Å; T53-R93 PolarHBondContact OG1-N 2.97Å
54R87.5Confident89.9Confident59 Ų5949.4 Ų49.422%0.22327%0.272CS..  trans-128.570.2175.5-66.5-172.6-178.3-115.56.7111S52 K56 Q57 L58 A88 T90 D92S52-R54 VanDerWaalsContact OG-C 3.26Å; S52-R54 PolarHBondContact OG-N 2.98Å; S52-R54 PolarHBondContact OG-O 2.9Å; R54-K56 PolarHBondContact O-N 2.87Å; R54-Q57 HydrophobicContact CB-CB 4.02Å; R54-Q57 PolarHBondContact O-N 3.26Å; R54-L58 HydrophobicContact CB-CB 4.19Å; R54-L58 PolarHBondContact O-N 2.75Å; R54-A88 PolarHBondContact NH2-O 3.4Å; R54-T90 PolarHBondContact NH2-OG1 3.18Å; R54-D92 WeakPolarHBondContact CD-OD1 3.33Å; R54-D92 VanDerWaalsContact CD-OD2 3.24Å; R54-D92 WeakPolarHBondContact CD-OD2 3.25Å; R54-D92 WeakPolarHBondContact CG-OD1 3.32Å; R54-D92 IonicContact CZ-OD1 3.82Å; R54-D92 IonicContact CZ-OD2 3.9Å; R54-D92 IonicContact NE-OD1 3.62Å; R54-D92 PolarHBondContact NE-OD1 2.9Å; R54-D92 IonicContact NE-OD2 2.88Å; R54-D92 PolarHBondContact NE-OD2 3.18Å; R54-D92 IonicContact NH2-OD2 3.79Å
55P89.9Confident90.1Very high95 Ų9549.1 Ų49.162%0.61727%0.272SS*.THydrogen-bonded Turntrans-62.1-16.3-174.425.6-35.2000114.5V59P55-V59 VanDerWaalsContact O-CG1 3.27Å; P55-V59 WeakPolarHBondContact O-CG1 3.23Å
56K89Confident90.2Very high190 Ų19051.4 Ų51.483%0.82629%0.285SS*.THydrogen-bonded Turntrans-89.9-23.8174.3-63.7-175.3-179.3-179.80114.1R54 H80R54-K56 PolarHBondContact O-N 2.87Å; K56-H80 PolarHBondContact O-CD2 3.24Å; K56-H80 VanDerWaalsContact O-CD2 3.31Å
57Q88.6Confident90.4Very high35 Ų3551.6 Ų51.616%0.16429%0.286CS..THydrogen-bonded Turntrans-109.4-45.5-173.2-159.572.426.100112R54 F79 H80 K81R54-Q57 HydrophobicContact CB-CB 4.02Å; R54-Q57 PolarHBondContact O-N 3.26Å; Q57-F79 HydrophobicContact CG-CD1 4.3Å; Q57-F79 HydrophobicContact CG-CD2 4.17Å; Q57-F79 HydrophobicContact CG-CE1 3.81Å; Q57-F79 HydrophobicContact CG-CE2 3.71Å; Q57-F79 HydrophobicContact CG-CG 4.46Å; Q57-F79 HydrophobicContact CG-CZ 3.51Å; Q57-F79 CarbonylContact O-C 3.55Å; Q57-F79 VanDerWaalsContact O-CA 3.24Å; Q57-F79 WeakPolarHBondContact O-CA 3.27Å; Q57-H80 PolarHBondContact NE2-O 2.76Å; Q57-H80 PolarHBondContact O-N 3.2Å; Q57-K81 PolarHBondContact NE2-O 2.9Å
58L89.7Confident90.7Very high8 Ų858.9 Ų58.94%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-110.292.5-176-17865.5000108.6S52 R54 V77 K78 F79 D92 L94S52-L58 VanDerWaalsContact CB-O 3.27Å; S52-L58 WeakPolarHBondContact CB-O 3.35Å; S52-L58 PolarHBondContact OG-O 3.08Å; R54-L58 HydrophobicContact CB-CB 4.19Å; R54-L58 PolarHBondContact O-N 2.75Å; L58-V77 HydrophobicContact CD1-CG1 3.61Å; L58-K78 CarbonylContact C-O 3.57Å; L58-K78 WeakPolarHBondContact CA-O 3.24Å; L58-F79 HydrophobicContact CB-CD2 4.27Å; L58-F79 HydrophobicContact CD1-CD2 4.12Å; L58-D92 HydrophobicContact CD2-CB 4.45Å; L58-L94 HydrophobicContact CD1-CD1 4.21Å; L58-L94 HydrophobicContact CD2-CD1 4.1Å; L58-L94 HydrophobicContact CD2-CD2 3.64Å; L58-L94 HydrophobicContact CD2-CG 3.65Å; L58-L94 HydrophobicContact CG-CD1 4.03Å; L58-L94 HydrophobicContact CG-CD2 3.76Å; L58-L94 HydrophobicContact CG-CG 4Å
59V91.5Very high90.9Very high42 Ų4261.2 Ų61.226%0.25533%0.332SS..EExtended strand (participates in β ladder)trans-110.8156.1-173.5-57.60000111.3P55 K78 H80P55-V59 VanDerWaalsContact O-CG1 3.27Å; P55-V59 WeakPolarHBondContact O-CG1 3.23Å; V59-K78 HydrophobicContact CG2-CB 3.75Å; V59-K78 PolarHBondContact N-O 3.21Å; V59-K78 PolarHBondContact O-N 3.18Å; V59-H80 WeakPolarHBondContact CG2-NE2 3.24Å
60I92.2Very high91.2Very high22 Ų2263.1 Ų63.111%0.11334%0.343CS..EExtended strand (participates in β ladder)trans-130.2136.8-179.5-59.783.7000109.3V50 P62 L75 K76 V77 L94V50-I60 HydrophobicContact CB-CB 4.37Å; V50-I60 HydrophobicContact CG1-CB 4.15Å; V50-I60 HydrophobicContact CG1-CD1 3.62Å; V50-I60 HydrophobicContact CG1-CG1 3.85Å; V50-I60 HydrophobicContact CG2-CB 4.49Å; V50-I60 HydrophobicContact CG2-CG2 4.16Å; I60-P62 CarbonylContact O-C 3.55Å; I60-L75 HydrophobicContact CG2-CB 3.79Å; I60-L75 HydrophobicContact CG2-CD1 4.09Å; I60-L75 HydrophobicContact CG2-CG 4.39Å; I60-K76 WeakPolarHBondContact CA-O 3.36Å; I60-V77 HydrophobicContact CG1-CG2 4.06Å; I60-L94 HydrophobicContact CD1-CD1 3.4Å; I60-L94 VanDerWaalsContact CD1-CD1 3.4Å; I60-L94 HydrophobicContact CD1-CD2 3.27Å; I60-L94 HydrophobicContact CD1-CG 3.87Å; I60-L94 HydrophobicContact CG1-CD1 3.67Å; I60-L94 HydrophobicContact CG1-CD2 4.43Å
61A93.9Very high91.5Very high50 Ų5064.8 Ų64.841%0.41336%0.355SS..EExtended strand (participates in β ladder)trans-124.3127.3176.400000110.6K76A61-K76 PolarHBondContact N-O 2.69Å; A61-K76 PolarHBondContact O-N 3.09Å
62P95.2Very high91.9Very high52 Ų5260.4 Ų60.434%0.33835%0.345SS..SBendcis-67.8152.5-14.230.3-38000112.8F48 I60 S64 L73 L75F48-P62 HydrophobicContact CE2-CG 4.45Å; F48-P62 HydrophobicContact CZ-CG 3.88Å; I60-P62 CarbonylContact O-C 3.55Å; P62-S64 VanDerWaalsContact C-N 3.34Å; P62-L73 HydrophobicContact CG-CD2 4.11Å; P62-L75 HydrophobicContact CG-CD2 3.98Å
63P92Very high92.2Very high82 Ų8261.5 Ų61.553%0.53235%0.348SS..SBendtrans-77.8-19.7179.931.3-36000113.4V50V50-P63 PolarHBondContact N-O 3.38Å
64S91.3Very high92.4Very high31 Ų3161.8 Ų61.822%0.21735%0.35CS..EExtended strand (participates in β ladder)trans-157.2159.7174.967.10000109.6F48 P62 T109F48-S64 VanDerWaalsContact CZ-C 3.42Å; F48-S64 WeakPolarHBondContact O-CA 3.37Å; F48-S64 VanDerWaalsContact O-CB 3.26Å; F48-S64 WeakPolarHBondContact O-CB 3.46Å; P62-S64 VanDerWaalsContact C-N 3.34Å; S64-T109 PolarHBondContact OG-OG1 2.75Å
65G91.9Very high92.7Very high13 Ų1359.1 Ų59.113%0.13434%0.34CS..EExtended strand (participates in β ladder)trans-178.5-176.6-176.100000111.9A47 F48A47-G65 CarbonylContact C-O 3.6Å; A47-G65 WeakPolarHBondContact CA-O 3.48Å; F48-G65 WeakPolarHBondContact CD1-O 3.18Å; F48-G65 VanDerWaalsContact CE1-N 3.34Å; F48-G65 VanDerWaalsContact CZ-N 3.26Å; F48-G65 PolarHBondContact N-O 3.26Å; F48-G65 PolarHBondContact O-N 3.31Å; F48-G65 VanDerWaalsContact O-N 3.08Å
66V90.4Very high92.9Very high75 Ų7558.7 Ų58.746%0.45533%0.329SS..EExtended strand (participates in β ladder)trans-120.7136.4169.4178.70000108V46 A47 V101 T109V46-V66 CarbonylContact O-C 3.49Å; V46-V66 WeakPolarHBondContact O-CA 3.4Å; A47-V66 HydrophobicContact CB-CG2 4.39Å; V66-V101 HydrophobicContact CG1-CG2 4.29Å; V66-T109 HydrophobicContact CG2-CG2 4.2Å
67I92.6Very high93.1Very high4 Ų449.7 Ų49.72%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-106.6119.3173.3-51.8173.2000106.5I38 N40 S45 V46 F48 L73I38-I67 HydrophobicContact CB-CD1 3.61Å; I38-I67 HydrophobicContact CD1-CD1 4.22Å; I38-I67 HydrophobicContact CG2-CD1 3.38Å; N40-I67 HydrophobicContact CB-CB 4.36Å; N40-I67 HydrophobicContact CB-CG2 3.65Å; N40-I67 PolarHBondContact ND2-O 2.98Å; S45-I67 WeakPolarHBondContact CA-O 3.48Å; V46-I67 HydrophobicContact CG2-CB 3.9Å; V46-I67 HydrophobicContact CG2-CD1 4.35Å; V46-I67 HydrophobicContact CG2-CG1 4.46Å; V46-I67 PolarHBondContact N-O 3.33Å; V46-I67 PolarHBondContact O-N 2.77Å; F48-I67 HydrophobicContact CD1-CD1 4.04Å; F48-I67 HydrophobicContact CD1-CG1 3.88Å; F48-I67 HydrophobicContact CE1-CG1 4.14Å; I67-L73 HydrophobicContact CD1-CB 4.22Å; I67-L73 HydrophobicContact CG1-CB 4.09Å; I67-L73 HydrophobicContact CG1-CD2 4.44Å
68K93.3Very high93.2Very high153 Ų15350.8 Ų50.867%0.66529%0.294SS*.  trans-64.9163.1179.3-70.6-174.4179.6-177.80111.2N40 S71N40-K68 PolarHBondContact ND2-O 3.19Å; K68-S71 WeakPolarHBondContact O-CB 3.27Å
69P93.6Very high93.3Very high48 Ų4850.5 Ų50.531%0.31229%0.292SS..THydrogen-bonded Turntrans-53.9148169.6-2536.7000111.3T42 S45 S71T42-P69 VanDerWaalsContact O-CA 3.31Å; T42-P69 WeakPolarHBondContact O-CA 3.47Å; T42-P69 WeakPolarHBondContact O-CB 3.4Å; S45-P69 WeakPolarHBondContact OG-CD 3.34Å; P69-S71 PolarHBondContact O-N 3.37Å
70Q95.8Very high93.3Very high124 Ų12451.6 Ų51.658%0.57929%0.294SS*.THydrogen-bonded Turntrans51.140.4175.7-56-59.5-30.500113.5N40 P41 T42 N43N40-Q70 CarbonylContact O-C 3.58Å; N40-Q70 VanDerWaalsContact O-CA 3.32Å; N40-Q70 WeakPolarHBondContact O-CA 3.21Å; N40-Q70 PolarHBondContact O-N 3.41Å; P41-Q70 PolarHBondContact O-NE2 3.23Å; P41-Q70 PolarHBondContact O-OE1 2.83Å; T42-Q70 PolarHBondContact O-N 3.29Å; T42-Q70 PolarHBondContact O-NE2 3.45Å; N43-Q70 PolarHBondContact OD1-NE2 2.95Å
71S96.4Very high93.2Very high53 Ų5356.3 Ų56.337%0.37131%0.314SS..EExtended strand (participates in β ladder)trans-141.7171.1-172.1-160.70000112.4N40 K68 P69N40-S71 CarbonylContact C-O 3.49Å; N40-S71 WeakPolarHBondContact CA-O 3.33Å; N40-S71 PolarHBondContact N-O 2.82Å; N40-S71 PolarHBondContact O-N 3Å; K68-S71 WeakPolarHBondContact O-CB 3.27Å; P69-S71 PolarHBondContact O-N 3.37Å
72G95.5Very high93Very high31 Ų3155.6 Ų55.632%0.3230%0.303SS..EExtended strand (participates in β ladder)trans-142159.3175.600000111.7I38I38-G72 CarbonylContact O-C 3.56Å; I38-G72 WeakPolarHBondContact O-CA 3.5Å
73L95.6Very high92.4Very high52 Ų5258.1 Ų58.127%0.27232%0.322SS..EExtended strand (participates in β ladder)trans-133.4129.2177.9-179.267.3000110.2R37 I38 F48 P62 I67 L75R37-L73 WeakPolarHBondContact CA-O 3.26Å; I38-L73 PolarHBondContact N-O 2.78Å; I38-L73 PolarHBondContact O-N 2.83Å; F48-L73 HydrophobicContact CD1-CD2 4.28Å; F48-L73 HydrophobicContact CE1-CD2 3.22Å; F48-L73 HydrophobicContact CE2-CD2 4.35Å; F48-L73 HydrophobicContact CZ-CD2 3.28Å; P62-L73 HydrophobicContact CG-CD2 4.11Å; I67-L73 HydrophobicContact CD1-CB 4.22Å; I67-L73 HydrophobicContact CG1-CB 4.09Å; I67-L73 HydrophobicContact CG1-CD2 4.44Å; L73-L75 HydrophobicContact CD2-CD2 3.66Å; L73-L75 HydrophobicContact CG-CD2 4Å
74T95.4Very high91.6Very high79 Ų7961.1 Ų61.149%0.48533%0.329SS..EExtended strand (participates in β ladder)trans-93.2116.7172-59.10000109.6K35K35-T74 HydrophobicContact CB-CG2 3.91Å; K35-T74 HydrophobicContact CD-CG2 4.02Å; K35-T74 HydrophobicContact CG-CG2 4.1Å
75L93.6Very high90.7Very high2 Ų264.6 Ų64.61%0.0136%0.359CS..EExtended strand (participates in β ladder)trans-89.3134.6173.1-55.8-176.5000109.8K35 V36 I38 F48 V50 I60 P62 L73 I96K35-L75 WeakPolarHBondContact CA-O 3.38Å; V36-L75 PolarHBondContact N-O 2.84Å; V36-L75 PolarHBondContact O-N 3.04Å; I38-L75 HydrophobicContact CD1-CD1 3.71Å; I38-L75 HydrophobicContact CD1-CG 4.37Å; I38-L75 HydrophobicContact CG1-CD1 4.24Å; F48-L75 HydrophobicContact CD2-CD1 4.45Å; F48-L75 HydrophobicContact CE2-CD1 4.28Å; F48-L75 HydrophobicContact CE2-CD2 3.71Å; F48-L75 HydrophobicContact CZ-CD2 3.84Å; V50-L75 HydrophobicContact CG2-CD1 4.01Å; I60-L75 HydrophobicContact CG2-CB 3.79Å; I60-L75 HydrophobicContact CG2-CD1 4.09Å; I60-L75 HydrophobicContact CG2-CG 4.39Å; P62-L75 HydrophobicContact CG-CD2 3.98Å; L73-L75 HydrophobicContact CD2-CD2 3.66Å; L73-L75 HydrophobicContact CG-CD2 4Å; L75-I96 HydrophobicContact CD1-CD1 4.27Å
76K93.8Very high89.9Confident87 Ų8771 Ų7138%0.37839%0.391SS..EExtended strand (participates in β ladder)trans-91.6116171.3-169.5171.9-170.1174.10109.2S33 I60 A61 K78S33-K76 WeakPolarHBondContact OG-CE 3.22Å; I60-K76 WeakPolarHBondContact CA-O 3.36Å; A61-K76 PolarHBondContact N-O 2.69Å; A61-K76 PolarHBondContact O-N 3.09Å; K76-K78 HydrophobicContact CD-CG 4.48Å; K76-K78 HydrophobicContact CG-CG 4.23Å
77V92Very high89.4Confident1 Ų169.9 Ų69.91%0.00638%0.38CS..EExtended strand (participates in β ladder)trans-88.8126.8171-178.70000107.6I22 S33 D34 V36 L58 I60 L94I22-V77 HydrophobicContact CD1-CB 4.14Å; I22-V77 HydrophobicContact CD1-CG1 4.14Å; I22-V77 HydrophobicContact CD1-CG2 3.66Å; S33-V77 CarbonylContact C-O 3.59Å; S33-V77 WeakPolarHBondContact CA-O 3.4Å; S33-V77 WeakPolarHBondContact CB-O 3.46Å; D34-V77 PolarHBondContact N-O 3.21Å; D34-V77 PolarHBondContact O-N 3Å; V36-V77 HydrophobicContact CG2-CG2 3.87Å; L58-V77 HydrophobicContact CD1-CG1 3.61Å; I60-V77 HydrophobicContact CG1-CG2 4.06Å; V77-L94 HydrophobicContact CG1-CD1 3.71Å; V77-L94 HydrophobicContact CG2-CD1 4.06Å
78K92.3Very high88.8Confident58 Ų5872.8 Ų72.825%0.25240%0.404SS..EExtended strand (participates in β ladder)trans-119.3137.8174.9-60-173.4175.7-160.60109.9E31 K32 L58 V59 K76E31-K78 IonicContact OE1-NZ 2.75Å; K32-K78 CarbonylContact O-C 3.49Å; K32-K78 WeakPolarHBondContact O-CA 3.36Å; L58-K78 CarbonylContact C-O 3.57Å; L58-K78 WeakPolarHBondContact CA-O 3.24Å; V59-K78 HydrophobicContact CG2-CB 3.75Å; V59-K78 PolarHBondContact N-O 3.21Å; V59-K78 PolarHBondContact O-N 3.18Å; K76-K78 HydrophobicContact CD-CG 4.48Å; K76-K78 HydrophobicContact CG-CG 4.23Å
79F91.6Very high88.1Confident1 Ų168.2 Ų68.20%0.00440%0.395CS..EExtended strand (participates in β ladder)trans-113.9110.4166.6-168.7-84.1000107.3I24 P26 E31 K32 Q57 L58 L82 F87I24-F79 HydrophobicContact CD1-CB 3.65Å; I24-F79 HydrophobicContact CG2-CB 3.92Å; I24-F79 HydrophobicContact CG2-CD1 4.17Å; I24-F79 HydrophobicContact CG2-CG 3.97Å; P26-F79 HydrophobicContact CB-CE1 3.76Å; P26-F79 HydrophobicContact CB-CZ 4.2Å; P26-F79 HydrophobicContact CG-CE1 4.11Å; P26-F79 HydrophobicContact CG-CZ 4.12Å; E31-F79 WeakPolarHBondContact CA-O 3.35Å; K32-F79 PolarHBondContact N-O 2.95Å; K32-F79 PolarHBondContact O-N 3.01Å; Q57-F79 HydrophobicContact CG-CD1 4.3Å; Q57-F79 HydrophobicContact CG-CD2 4.17Å; Q57-F79 HydrophobicContact CG-CE1 3.81Å; Q57-F79 HydrophobicContact CG-CE2 3.71Å; Q57-F79 HydrophobicContact CG-CG 4.46Å; Q57-F79 HydrophobicContact CG-CZ 3.51Å; Q57-F79 CarbonylContact O-C 3.55Å; Q57-F79 VanDerWaalsContact O-CA 3.24Å; Q57-F79 WeakPolarHBondContact O-CA 3.27Å; L58-F79 HydrophobicContact CB-CD2 4.27Å; L58-F79 HydrophobicContact CD1-CD2 4.12Å; F79-L82 HydrophobicContact CE1-CD2 3.88Å; F79-L82 HydrophobicContact CZ-CD2 4.2Å; F79-F87 AromaticContact CZ-CE2 3.78Å; F79-F87 HydrophobicContact CZ-CE2 3.78Å; F79-F87 AromaticContact CZ-CZ 3.88Å; F79-F87 HydrophobicContact CZ-CZ 3.88Å
80H91.6Very high87.2Confident66 Ų6669.1 Ų69.131%0.30640%0.399SS..PPolyproline II helixtrans-60.8159.6178.6-70-61.5000110.7E31 K56 Q57 V59E31-H80 IonicContact OE2-ND1 3.63Å; K56-H80 PolarHBondContact O-CD2 3.24Å; K56-H80 VanDerWaalsContact O-CD2 3.31Å; Q57-H80 PolarHBondContact NE2-O 2.76Å; Q57-H80 PolarHBondContact O-N 3.2Å; V59-H80 WeakPolarHBondContact CG2-NE2 3.24Å
81K89.9Confident86.4Confident121 Ų12172.3 Ų72.353%0.52641%0.412SS..PPolyproline II helixtrans-63.5149.5173.264.5-180-179.6175.60110.9S27 Q57 S83S27-K81 CarbonylContact O-C 3.42Å; S27-K81 WeakPolarHBondContact O-CA 3.38Å; S27-K81 WeakPolarHBondContact O-CB 3.34Å; Q57-K81 PolarHBondContact NE2-O 2.9Å; K81-S83 PolarHBondContact O-N 2.9Å
82L89Confident85.7Confident34 Ų3470.5 Ų70.518%0.17840%0.398CS..PPolyproline II helixtrans-68.7124.8174.1-58.9-179.7000109.1P26 S27 D28 F79 F87P26-L82 HydrophobicContact CB-CD1 3.76Å; P26-L82 HydrophobicContact CB-CD2 4.16Å; P26-L82 HydrophobicContact CB-CG 4.06Å; S27-L82 PolarHBondContact O-N 2.83Å; D28-L82 HydrophobicContact CB-CB 4.35Å; F79-L82 HydrophobicContact CE1-CD2 3.88Å; F79-L82 HydrophobicContact CZ-CD2 4.2Å; L82-F87 HydrophobicContact CD1-CB 3.6Å; L82-F87 HydrophobicContact CD1-CD1 4.14Å; L82-F87 HydrophobicContact CD1-CD2 4.47Å; L82-F87 HydrophobicContact CD1-CG 3.81Å; L82-F87 HydrophobicContact CD2-CB 3.85Å; L82-F87 HydrophobicContact CD2-CD1 4.31Å; L82-F87 HydrophobicContact CD2-CD2 3.32Å; L82-F87 HydrophobicContact CD2-CE2 3.92Å; L82-F87 HydrophobicContact CD2-CG 3.54Å; L82-F87 HydrophobicContact CG-CB 4.28Å; L82-F87 HydrophobicContact CG-CG 4.32Å
83S81.8Confident85.2Confident106 Ų10674 Ų7474%0.74140%0.401SS*.  trans-99.3-15.7170.354.10000112.6K81K81-S83 PolarHBondContact O-N 2.9Å
84E75.9Confident84.8Confident145 Ų14571.9 Ų71.968%0.67839%0.39SS*.SBendtrans-106133.6-176.2-65.3172.7-161.900109.7N86E84-N86 PolarHBondContact O-N 3.06Å
85A72.5Confident84.4Confident103 Ų10368.7 Ų68.785%0.85137%0.37SS*.SBendtrans-62.7-26.7178.500000112.8
86N74.4Confident84.2Confident148 Ų14868.7 Ų68.779%0.79137%0.37SS*.  trans-105.354.9-173.6-65.9-27000112.4E84 A88E84-N86 PolarHBondContact O-N 3.06Å; N86-A88 PolarHBondContact O-N 3.06Å
87F80.3Confident83.9Confident52 Ų5265.1 Ų65.123%0.22836%0.356CS..  trans-67.2105.8172.8177.2-100.4000110.9P26 F79 L82 A89P26-F87 HydrophobicContact CB-CD1 4.36Å; P26-F87 HydrophobicContact CB-CE1 4.16Å; P26-F87 HydrophobicContact CG-CD1 4.22Å; P26-F87 HydrophobicContact CG-CE1 3.58Å; P26-F87 HydrophobicContact CG-CZ 3.95Å; F79-F87 AromaticContact CZ-CE2 3.78Å; F79-F87 HydrophobicContact CZ-CE2 3.78Å; F79-F87 AromaticContact CZ-CZ 3.88Å; F79-F87 HydrophobicContact CZ-CZ 3.88Å; L82-F87 HydrophobicContact CD1-CB 3.6Å; L82-F87 HydrophobicContact CD1-CD1 4.14Å; L82-F87 HydrophobicContact CD1-CD2 4.47Å; L82-F87 HydrophobicContact CD1-CG 3.81Å; L82-F87 HydrophobicContact CD2-CB 3.85Å; L82-F87 HydrophobicContact CD2-CD1 4.31Å; L82-F87 HydrophobicContact CD2-CD2 3.32Å; L82-F87 HydrophobicContact CD2-CE2 3.92Å; L82-F87 HydrophobicContact CD2-CG 3.54Å; L82-F87 HydrophobicContact CG-CB 4.28Å; L82-F87 HydrophobicContact CG-CG 4.32Å; F87-A89 HydrophobicContact CE1-CB 4.05Å
88A81.1Confident83.6Confident64 Ų6465.1 Ų65.153%0.52936%0.356SS..  trans-83.9117.6168.400000109.8R54 N86 T90R54-A88 PolarHBondContact NH2-O 3.4Å; N86-A88 PolarHBondContact O-N 3.06Å; A88-T90 PolarHBondContact O-N 2.78Å
89A77.2Confident83.3Confident57 Ų5762.9 Ų62.947%0.47135%0.348SS..  trans-67121.4170.100000109.6F87F87-A89 HydrophobicContact CE1-CB 4.05Å
90T75.7Confident83Confident67 Ų6763.8 Ų63.841%0.41135%0.353SS..  trans-120172.1178.456.30000110.7R54 A88 D92R54-T90 PolarHBondContact NH2-OG1 3.18Å; A88-T90 PolarHBondContact O-N 2.78Å; T90-D92 PolarHBondContact O-N 3.3Å; T90-D92 PolarHBondContact OG1-OD1 3.31Å
91K79.5Confident82.5Confident192 Ų19261.7 Ų61.784%0.83535%0.345SS*.  trans-72.473.8171-66.5-174.4-179.4-178.40110.4
92D81.5Confident81.8Confident14 Ų1461.3 Ų61.38%0.07535%0.346CS..  trans-73.8147.4178.3-67.8-41000112.2T53 R54 L58 T90T53-D92 VanDerWaalsContact OG1-CA 3.26Å; T53-D92 WeakPolarHBondContact OG1-CA 3.46Å; T53-D92 PolarHBondContact OG1-OD1 2.8Å; R54-D92 WeakPolarHBondContact CD-OD1 3.33Å; R54-D92 VanDerWaalsContact CD-OD2 3.24Å; R54-D92 WeakPolarHBondContact CD-OD2 3.25Å; R54-D92 WeakPolarHBondContact CG-OD1 3.32Å; R54-D92 IonicContact CZ-OD1 3.82Å; R54-D92 IonicContact CZ-OD2 3.9Å; R54-D92 IonicContact NE-OD1 3.62Å; R54-D92 PolarHBondContact NE-OD1 2.9Å; R54-D92 IonicContact NE-OD2 2.88Å; R54-D92 PolarHBondContact NE-OD2 3.18Å; R54-D92 IonicContact NH2-OD2 3.79Å; L58-D92 HydrophobicContact CD2-CB 4.45Å; T90-D92 PolarHBondContact O-N 3.3Å; T90-D92 PolarHBondContact OG1-OD1 3.31Å
93R85.2Confident80.5Confident106 Ų10668.1 Ų68.140%0.438%0.376SS..EExtended strand (participates in β ladder)trans-140.9138.3-176-167.3177.275.7-170.1-5.7111.6S52 T53 T95 F125S52-R93 WeakPolarHBondContact CA-O 3.36Å; T53-R93 HydrophobicContact CG2-CB 3.9Å; T53-R93 PolarHBondContact N-O 2.76Å; T53-R93 PolarHBondContact OG1-N 2.97Å; R93-T95 PolarHBondContact NE-OG1 2.96Å; R93-F125 VanDerWaalsContact CD-CD1 3.43Å; R93-F125 HydrophobicContact CG-CD1 4.46Å; R93-F125 VanDerWaalsContact CZ-CD1 3.41Å; R93-F125 VanDerWaalsContact NH1-CD1 3.31Å
94L86.8Confident79.3Confident6 Ų671.8 Ų71.83%0.03138%0.379CS..EExtended strand (participates in β ladder)trans-103.2130.7159.7-63.7-179.2000109.3K51 S52 L58 I60 V77 L126K51-L94 CarbonylContact O-C 3.54Å; K51-L94 WeakPolarHBondContact O-CA 3.34Å; S52-L94 VanDerWaalsContact CB-CD2 3.41Å; S52-L94 WeakPolarHBondContact OG-CD2 3.06Å; L58-L94 HydrophobicContact CD1-CD1 4.21Å; L58-L94 HydrophobicContact CD2-CD1 4.1Å; L58-L94 HydrophobicContact CD2-CD2 3.64Å; L58-L94 HydrophobicContact CD2-CG 3.65Å; L58-L94 HydrophobicContact CG-CD1 4.03Å; L58-L94 HydrophobicContact CG-CD2 3.76Å; L58-L94 HydrophobicContact CG-CG 4Å; I60-L94 HydrophobicContact CD1-CD1 3.4Å; I60-L94 VanDerWaalsContact CD1-CD1 3.4Å; I60-L94 HydrophobicContact CD1-CD2 3.27Å; I60-L94 HydrophobicContact CD1-CG 3.87Å; I60-L94 HydrophobicContact CG1-CD1 3.67Å; I60-L94 HydrophobicContact CG1-CD2 4.43Å; V77-L94 HydrophobicContact CG1-CD1 3.71Å; V77-L94 HydrophobicContact CG2-CD1 4.06Å; L94-L126 HydrophobicContact CB-CB 4.16Å; L94-L126 HydrophobicContact CB-CD1 3.84Å; L94-L126 WeakPolarHBondContact O-CB 2.97Å; L94-L126 PolarHBondContact O-N 3.26Å
95T87.5Confident78.2Confident12 Ų1270.2 Ų70.27%0.07438%0.384CS..EExtended strand (participates in β ladder)trans-116.5118.2178.8-56.70000108.2V50 K51 R93 V97 F125V50-T95 CarbonylContact C-O 3.53Å; V50-T95 WeakPolarHBondContact CA-O 3.3Å; K51-T95 PolarHBondContact N-O 3.23Å; K51-T95 PolarHBondContact O-N 2.94Å; R93-T95 PolarHBondContact NE-OG1 2.96Å; T95-V97 HydrophobicContact CG2-CG2 4.3Å; T95-F125 HydrophobicContact CG2-CD1 4.33Å; T95-F125 HydrophobicContact CG2-CE1 4.35Å
96I88.3Confident77.5Confident2 Ų269.8 Ų69.81%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-96.5119.5172.4-57.3174.5000106.6I17 V36 I38 F48 V50 L75 I98 L124 L126I17-I96 HydrophobicContact CD1-CB 4.27Å; I17-I96 HydrophobicContact CD1-CD1 4.06Å; I17-I96 HydrophobicContact CD1-CG2 4.32Å; I17-I96 HydrophobicContact CG2-CD1 4.32Å; V36-I96 HydrophobicContact CG1-CD1 4.11Å; I38-I96 HydrophobicContact CD1-CD1 4.12Å; I38-I96 HydrophobicContact CD1-CG2 3.82Å; I38-I96 HydrophobicContact CG1-CD1 4.38Å; F48-I96 HydrophobicContact CB-CG2 4.31Å; V50-I96 HydrophobicContact CG1-CG1 4.4Å; V50-I96 HydrophobicContact CG2-CG1 4.25Å; L75-I96 HydrophobicContact CD1-CD1 4.27Å; I96-I98 HydrophobicContact CG2-CD1 4.1Å; I96-I98 HydrophobicContact CG2-CG1 3.81Å; I96-L124 PolarHBondContact N-O 2.79Å; I96-L124 PolarHBondContact O-N 2.7Å; I96-L126 HydrophobicContact CD1-CD1 3.65Å; I96-L126 HydrophobicContact CD1-CG 4.31Å; I96-L126 HydrophobicContact CG1-CD1 3.97Å
97V87Confident76.6Confident13 Ų1369.3 Ų69.38%0.07937%0.365CS..EExtended strand (participates in β ladder)trans-99.7129.6173-176.40000107.3F48 K49 T95 W113 C121F48-V97 CarbonylContact C-O 3.56Å; F48-V97 WeakPolarHBondContact CA-O 3.39Å; K49-V97 PolarHBondContact N-O 3.34Å; K49-V97 PolarHBondContact O-N 2.94Å; T95-V97 HydrophobicContact CG2-CG2 4.3Å; V97-W113 HydrophobicContact CB-CH2 4.45Å; V97-W113 HydrophobicContact CG1-CH2 4.03Å; V97-W113 HydrophobicContact CG1-CZ3 3.84Å; V97-C121 HydrophobicContact CG1-CB 3.75Å; V97-C121 WeakPolarHBondContact CG1-SG 3.11Å
98I87.3Confident76Confident1 Ų170 Ų701%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-125139-179.2-53-172.7000109.5L12 I15 I17 I38 V46 A47 F48 I96 C121 L122L12-I98 HydrophobicContact CD2-CB 4.22Å; L12-I98 HydrophobicContact CD2-CG2 3.83Å; I15-I98 HydrophobicContact CB-CD1 4.38Å; I15-I98 HydrophobicContact CG1-CG2 4.4Å; I15-I98 HydrophobicContact CG2-CD1 3.53Å; I17-I98 HydrophobicContact CD1-CD1 4.08Å; I38-I98 HydrophobicContact CG2-CD1 4.1Å; V46-I98 HydrophobicContact CB-CG2 3.91Å; V46-I98 HydrophobicContact CG1-CG2 4.45Å; V46-I98 HydrophobicContact CG2-CG2 4.16Å; A47-I98 WeakPolarHBondContact O-CA 3.17Å; F48-I98 HydrophobicContact CB-CG1 4.41Å; I96-I98 HydrophobicContact CG2-CD1 4.1Å; I96-I98 HydrophobicContact CG2-CG1 3.81Å; I98-C121 WeakPolarHBondContact O-CA 3.05Å; I98-L122 PolarHBondContact N-O 3.04Å; I98-L122 PolarHBondContact O-N 2.99Å
99A84.4Confident75.4Confident10 Ų1068.8 Ų68.88%0.08336%0.36CS..EExtended strand (participates in β ladder)trans-140.6148.8176.700000110.4V46 A47 F112 W113V46-A99 CarbonylContact C-O 3.58Å; V46-A99 VanDerWaalsContact CA-O 3.29Å; V46-A99 WeakPolarHBondContact CA-O 3.42Å; A47-A99 PolarHBondContact N-O 3.02Å; A47-A99 PolarHBondContact O-N 3.31Å; A99-F112 HydrophobicContact CB-CE1 3.8Å; A99-F112 HydrophobicContact CB-CZ 3.75Å; A99-W113 HydrophobicContact CB-CH2 3.99Å; A99-W113 HydrophobicContact CB-CZ3 4.19Å
100V85Confident75Confident20 Ų2069.1 Ų69.112%0.12136%0.359CS..EExtended strand (participates in β ladder)trans-74.7137.4175.4-173.80000109.6E8 V11 L12E8-V100 HydrophobicContact CB-CG2 4.07Å; E8-V100 HydrophobicContact CG-CB 4.24Å; E8-V100 HydrophobicContact CG-CG2 4.15Å; V11-V100 HydrophobicContact CB-CG2 3.83Å; V11-V100 HydrophobicContact CG1-CG1 4.44Å; V11-V100 HydrophobicContact CG1-CG2 3.64Å; L12-V100 HydrophobicContact CD2-CG2 4.24Å; L12-V100 HydrophobicContact CG-CG2 4.13Å
101V82.8Confident74.6Confident22 Ų2269.1 Ų69.113%0.13336%0.359CS..  trans-93.9114.8176.5-177.20000108.7S45 A47 V66 F106 F112S45-V101 PolarHBondContact O-N 2.89Å; A47-V101 HydrophobicContact CB-CG2 3.8Å; V66-V101 HydrophobicContact CG1-CG2 4.29Å; V101-F106 HydrophobicContact CG1-CD2 3.82Å; V101-F106 HydrophobicContact CG1-CE2 4.02Å; V101-F112 HydrophobicContact CB-CE2 4.38Å; V101-F112 HydrophobicContact CG1-CE2 4.44Å; V101-F112 HydrophobicContact CG2-CD2 4.47Å; V101-F112 HydrophobicContact CG2-CE2 3.93Å; V101-F112 HydrophobicContact CG2-CZ 4.32Å
102Q73.9Confident74.2Confident114 Ų11461 Ų6153%0.53332%0.324SS..  trans-75.5126.7167.5-59.8-178.211.700107.7E8 K104E8-Q102 PolarHBondContact OE1-NE2 2.81Å; Q102-K104 PolarHBondContact O-N 2.88Å
103E63.1Low73.7Confident177 Ų17762.6 Ų62.683%0.82733%0.329SS*.SBendtrans-60.82.8-164.9-65-169.6152.900116.3
104K55.4Low73Confident182 Ų18265.6 Ų65.679%0.79134%0.344SS*.SBendtrans-106.9108.6-178.2-61.2-178.4-178.4178.80110.2Q102Q102-K104 PolarHBondContact O-N 2.88Å
105S53.8Low71.8Confident113 Ų11366.6 Ų66.679%0.7936%0.357SS*.  trans8350.715173.80000120.8
106F57Low70.2Confident94 Ų9471.9 Ų71.941%0.41239%0.391SS..  trans-111.5117.3162.8-55.1-74.2000111.6V101 F112V101-F106 HydrophobicContact CG1-CD2 3.82Å; V101-F106 HydrophobicContact CG1-CE2 4.02Å; F106-F112 HydrophobicContact CB-CB 4.47Å; F106-F112 HydrophobicContact CD1-CB 3.75Å; F106-F112 AromaticContact CD1-CD2 3.7Å; F106-F112 HydrophobicContact CD1-CD2 3.7Å; F106-F112 HydrophobicContact CD1-CG 4.2Å; F106-F112 AromaticContact CD2-CD2 3.63Å; F106-F112 HydrophobicContact CD2-CD2 3.63Å; F106-F112 HydrophobicContact CD2-CE2 4.26Å; F106-F112 HydrophobicContact CE1-CB 4.18Å; F106-F112 AromaticContact CE1-CD2 3.56Å; F106-F112 HydrophobicContact CE1-CD2 3.56Å; F106-F112 HydrophobicContact CE1-CE2 4.32Å; F106-F112 HydrophobicContact CE1-CG 4.24Å; F106-F112 AromaticContact CE2-CD2 3.5Å; F106-F112 HydrophobicContact CE2-CD2 3.5Å; F106-F112 VanDerWaalsContact CE2-CD2 3.5Å; F106-F112 AromaticContact CE2-CE2 3.77Å; F106-F112 HydrophobicContact CE2-CE2 3.77Å; F106-F112 HydrophobicContact CG-CB 4.09Å; F106-F112 AromaticContact CG-CD2 3.72Å; F106-F112 HydrophobicContact CG-CD2 3.72Å; F106-F112 HydrophobicContact CG-CG 4.41Å; F106-F112 AromaticContact CZ-CD2 3.45Å; F106-F112 HydrophobicContact CZ-CD2 3.45Å; F106-F112 VanDerWaalsContact CZ-CD2 3.45Å; F106-F112 AromaticContact CZ-CE2 3.8Å; F106-F112 HydrophobicContact CZ-CE2 3.8Å
107V56.4Low68.5Low138 Ų13878 Ų7884%0.83642%0.424SS*.SBendtrans-74.8-36.1174-175.60000110.4
108T66.6Low66.7Low66 Ų6678.9 Ų78.941%0.40544%0.435SS..  trans-146.2160.9-179.568.50000112.1S110 T111 F112T108-S110 PolarHBondContact O-N 2.84Å; T108-S110 PolarHBondContact OG1-N 3Å; T108-T111 PolarHBondContact N-OG1 2.81Å; T108-T111 VanDerWaalsContact N-OG1 3.1Å; T108-T111 PolarHBondContact O-N 2.92Å; T108-T111 PolarHBondContact O-OG1 3.03Å; T108-T111 PolarHBondContact OG1-N 3.1Å; T108-T111 VanDerWaalsContact OG1-N 3.15Å; T108-T111 PolarHBondContact OG1-OG1 2.77Å; T108-F112 PolarHBondContact O-N 2.88Å; T108-F112 VanDerWaalsContact O-N 3.14Å
109T68.8Low64.8Low39 Ų3989.6 Ų89.624%0.23948%0.475CS..Hα-helixtrans-60.5-35.1169.955.20000111.8S64 V66 T111 F112 W113S64-T109 PolarHBondContact OG-OG1 2.75Å; V66-T109 HydrophobicContact CG2-CG2 4.2Å; T109-T111 VanDerWaalsContact C-N 3.33Å; T109-T111 PolarHBondContact O-N 2.88Å; T109-F112 WeakPolarHBondContact O-CB 3.42Å; T109-F112 PolarHBondContact O-N 3.42Å; T109-W113 PolarHBondContact O-N 2.76Å; T109-W113 VanDerWaalsContact O-N 3.15Å
110S68.8Low63Low63 Ų6395 Ų9544%0.44150%0.499SS..Hα-helixtrans-59.6-43.5177.6-174.90000111.9T108 K114T108-S110 PolarHBondContact O-N 2.84Å; T108-S110 PolarHBondContact OG1-N 3Å; S110-K114 WeakPolarHBondContact O-CG 3.32Å
111T67.1Low61.2Low67 Ų6796.2 Ų96.241%0.41151%0.508SS..Hα-helixtrans-69.1-36.8176.345.10000112.2T108 T109 W113 K114T108-T111 PolarHBondContact N-OG1 2.81Å; T108-T111 VanDerWaalsContact N-OG1 3.1Å; T108-T111 PolarHBondContact O-N 2.92Å; T108-T111 PolarHBondContact O-OG1 3.03Å; T108-T111 PolarHBondContact OG1-N 3.1Å; T108-T111 VanDerWaalsContact OG1-N 3.15Å; T108-T111 PolarHBondContact OG1-OG1 2.77Å; T109-T111 VanDerWaalsContact C-N 3.33Å; T109-T111 PolarHBondContact O-N 2.88Å; T111-W113 VanDerWaalsContact C-N 3.34Å; T111-W113 PolarHBondContact O-N 2.83Å; T111-K114 PolarHBondContact O-N 3.33Å
112F70.6Confident59.1Low23 Ų2397.8 Ų97.810%0.10152%0.515CS..Hα-helixtrans-56.3-47.2175.6178.2-88.2000111.8A47 A99 V101 F106 T108 T109 K114A47-F112 HydrophobicContact CB-CD1 3.66Å; A47-F112 HydrophobicContact CB-CD2 4.49Å; A47-F112 HydrophobicContact CB-CE1 3.41Å; A47-F112 VanDerWaalsContact CB-CE1 3.41Å; A47-F112 HydrophobicContact CB-CE2 4.29Å; A47-F112 HydrophobicContact CB-CG 4.22Å; A47-F112 HydrophobicContact CB-CZ 3.75Å; A99-F112 HydrophobicContact CB-CE1 3.8Å; A99-F112 HydrophobicContact CB-CZ 3.75Å; V101-F112 HydrophobicContact CB-CE2 4.38Å; V101-F112 HydrophobicContact CG1-CE2 4.44Å; V101-F112 HydrophobicContact CG2-CD2 4.47Å; V101-F112 HydrophobicContact CG2-CE2 3.93Å; V101-F112 HydrophobicContact CG2-CZ 4.32Å; F106-F112 HydrophobicContact CB-CB 4.47Å; F106-F112 HydrophobicContact CD1-CB 3.75Å; F106-F112 AromaticContact CD1-CD2 3.7Å; F106-F112 HydrophobicContact CD1-CD2 3.7Å; F106-F112 HydrophobicContact CD1-CG 4.2Å; F106-F112 AromaticContact CD2-CD2 3.63Å; F106-F112 HydrophobicContact CD2-CD2 3.63Å; F106-F112 HydrophobicContact CD2-CE2 4.26Å; F106-F112 HydrophobicContact CE1-CB 4.18Å; F106-F112 AromaticContact CE1-CD2 3.56Å; F106-F112 HydrophobicContact CE1-CD2 3.56Å; F106-F112 HydrophobicContact CE1-CE2 4.32Å; F106-F112 HydrophobicContact CE1-CG 4.24Å; F106-F112 AromaticContact CE2-CD2 3.5Å; F106-F112 HydrophobicContact CE2-CD2 3.5Å; F106-F112 VanDerWaalsContact CE2-CD2 3.5Å; F106-F112 AromaticContact CE2-CE2 3.77Å; F106-F112 HydrophobicContact CE2-CE2 3.77Å; F106-F112 HydrophobicContact CG-CB 4.09Å; F106-F112 AromaticContact CG-CD2 3.72Å; F106-F112 HydrophobicContact CG-CD2 3.72Å; F106-F112 HydrophobicContact CG-CG 4.41Å; F106-F112 AromaticContact CZ-CD2 3.45Å; F106-F112 HydrophobicContact CZ-CD2 3.45Å; F106-F112 VanDerWaalsContact CZ-CD2 3.45Å; F106-F112 AromaticContact CZ-CE2 3.8Å; F106-F112 HydrophobicContact CZ-CE2 3.8Å; T108-F112 PolarHBondContact O-N 2.88Å; T108-F112 VanDerWaalsContact O-N 3.14Å; T109-F112 WeakPolarHBondContact O-CB 3.42Å; T109-F112 PolarHBondContact O-N 3.42Å; F112-K114 VanDerWaalsContact C-N 3.26Å; F112-K114 PolarHBondContact O-N 2.69Å
113W72.3Confident57.9Low47 Ų4799.3 Ų99.318%0.17852%0.52CS..THydrogen-bonded Turntrans-76.8-3.8-177.8-63.6112.1000115.2A47 K49 V97 A99 T109 T111A47-W113 HydrophobicContact CB-CZ2 3.85Å; K49-W113 HydrophobicContact CB-CD2 4.12Å; K49-W113 HydrophobicContact CB-CH2 4.34Å; K49-W113 HydrophobicContact CB-CZ2 3.74Å; K49-W113 HydrophobicContact CD-CD2 4.17Å; K49-W113 HydrophobicContact CD-CG 4Å; V97-W113 HydrophobicContact CB-CH2 4.45Å; V97-W113 HydrophobicContact CG1-CH2 4.03Å; V97-W113 HydrophobicContact CG1-CZ3 3.84Å; A99-W113 HydrophobicContact CB-CH2 3.99Å; A99-W113 HydrophobicContact CB-CZ3 4.19Å; T109-W113 PolarHBondContact O-N 2.76Å; T109-W113 VanDerWaalsContact O-N 3.15Å; T111-W113 VanDerWaalsContact C-N 3.34Å; T111-W113 PolarHBondContact O-N 2.83Å
114K70.2Confident57Low168 Ų16893.6 Ų93.673%0.7350%0.495SS*.THydrogen-bonded Turntrans-101.6-10179.3-73.3177.8-178.6-174.50113.5S110 T111 F112S110-K114 WeakPolarHBondContact O-CG 3.32Å; T111-K114 PolarHBondContact O-N 3.33Å; F112-K114 VanDerWaalsContact C-N 3.26Å; F112-K114 PolarHBondContact O-N 2.69Å
115G61.8Low56.7Low28 Ų2890.2 Ų90.229%0.28948%0.48SS..SBendtrans-70.5157-175.700000113.7N117 G118G115-N117 PolarHBondContact O-N 2.79Å; G115-N117 VanDerWaalsContact O-N 3.07Å; G115-G118 PolarHBondContact O-N 2.9Å
116P53.5Low56.3Low122 Ų12285.3 Ų85.379%0.79245%0.445SS*.THydrogen-bonded Turntrans-59.9-18.7178.423.1-32.2000113.6
117N53.2Low55.1Low132 Ų13287.1 Ų87.171%0.70645%0.45SS*.THydrogen-bonded Turntrans-91.312.6-178.2-59.4-13.8000114.3G115 W119G115-N117 PolarHBondContact O-N 2.79Å; G115-N117 VanDerWaalsContact O-N 3.07Å; N117-W119 PolarHBondContact O-N 2.87Å
118G48.6Very low54.4Low30 Ų3081.7 Ų81.731%0.30942%0.415SS..THydrogen-bonded Turntrans-68.820.3-172.600000116.9G115G115-G118 PolarHBondContact O-N 2.9Å
119W47.4Very low52.7Low226 Ų22680.5 Ų80.586%0.85641%0.409SS*.THydrogen-bonded Turntrans-1130.1-158.5-71.741.2000114.8N117N117-W119 PolarHBondContact O-N 2.87Å
120H46.3Very low51.2Low125 Ų12581.1 Ų81.158%0.57941%0.407SS*.  trans-105.382.4176.4-69.4-138.4000109.2E8E8-H120 IonicContact OE2-CG 3.68Å; E8-H120 IonicContact OE2-ND1 3.25Å; E8-H120 PolarHBondContact OE2-ND1 3.02Å
121C46.8Very low49.4Very low45 Ų4584.7 Ų84.730%0.30442%0.421SS..  trans-120.3123.5-170.1-73.60000111.8V97 I98 K123V97-C121 HydrophobicContact CG1-CB 3.75Å; V97-C121 WeakPolarHBondContact CG1-SG 3.11Å; I98-C121 WeakPolarHBondContact O-CA 3.05Å; C121-K123 PolarHBondContact O-N 3.06Å
122L39.5Very low47.8Very low55 Ų5587.7 Ų87.729%0.28843%0.434SS..EExtended strand (participates in β ladder)trans-71.9124.1156.9-163.984.1000107.8L12 I98 L124L12-L122 HydrophobicContact CB-CB 4.22Å; L12-L122 HydrophobicContact CD1-CB 4.33Å; L12-L122 HydrophobicContact CD2-CB 4.24Å; I98-L122 PolarHBondContact N-O 3.04Å; I98-L122 PolarHBondContact O-N 2.99Å; L122-L124 HydrophobicContact CD2-CD1 4.4Å
123K48.8Very low45.9Very low145 Ų14590.8 Ų90.863%0.6347%0.472SS*.EExtended strand (participates in β ladder)trans-100.2106.9171.7-74.1175.3-175.6165.40108.2C121C121-K123 PolarHBondContact O-N 3.06Å
124L44.5Very low43.7Very low58 Ų5897.4 Ų97.430%0.30450%0.502SS..EExtended strand (participates in β ladder)trans-97.1129.4166.9-142.588.1000110.2I17 I96 L122I17-L124 HydrophobicContact CB-CD2 3.73Å; I17-L124 HydrophobicContact CD1-CB 3.78Å; I17-L124 HydrophobicContact CD1-CD2 3.39Å; I17-L124 HydrophobicContact CD1-CG 4.12Å; I17-L124 HydrophobicContact CG1-CD2 3.97Å; I17-L124 HydrophobicContact CG2-CD2 4.23Å; I96-L124 PolarHBondContact N-O 2.79Å; I96-L124 PolarHBondContact O-N 2.7Å; L122-L124 HydrophobicContact CD2-CD1 4.4Å
125F47.9Very low41.6Very low111 Ų11193.6 Ų93.649%0.48750%0.502SS..EExtended strand (participates in β ladder)trans-96.3116.4175.3-61.7-61.8000109.5R93 T95R93-F125 VanDerWaalsContact CD-CD1 3.43Å; R93-F125 HydrophobicContact CG-CD1 4.46Å; R93-F125 VanDerWaalsContact CZ-CD1 3.41Å; R93-F125 VanDerWaalsContact NH1-CD1 3.31Å; T95-F125 HydrophobicContact CG2-CD1 4.33Å; T95-F125 HydrophobicContact CG2-CE1 4.35Å
126L45.4Very low39.8Very low9 Ų999.5 Ų99.55%0.04753%0.527CS..EExtended strand (participates in β ladder)trans-83.7124.3169.5-61.8171.1000108.9I17 S20 V36 L94 I96I17-L126 HydrophobicContact CG2-CD2 4.04Å; S20-L126 VanDerWaalsContact CA-CD2 3.41Å; S20-L126 CarbonylContact O-C 3.58Å; S20-L126 WeakPolarHBondContact O-CA 3.37Å; S20-L126 WeakPolarHBondContact O-CD2 3.22Å; V36-L126 HydrophobicContact CG1-CD1 4.41Å; V36-L126 HydrophobicContact CG2-CD1 4.27Å; L94-L126 HydrophobicContact CB-CB 4.16Å; L94-L126 HydrophobicContact CB-CD1 3.84Å; L94-L126 WeakPolarHBondContact O-CB 2.97Å; L94-L126 PolarHBondContact O-N 3.26Å; I96-L126 HydrophobicContact CD1-CD1 3.65Å; I96-L126 HydrophobicContact CD1-CG 4.31Å; I96-L126 HydrophobicContact CG1-CD1 3.97Å
127Y33.1Very low38.4Very low133 Ų133103 Ų10352%0.52253%0.53SS..EExtended strand (participates in β ladder)trans-104.6130-178.1-172.5-89000111.2S20 K21S20-Y127 PolarHBondContact O-N 3.26Å; K21-Y127 WeakPolarHBondContact CA-O 3.23Å; K21-Y127 WeakPolarHBondContact CB-O 3.4Å; K21-Y127 HydrophobicContact CD-CD1 4.45Å; K21-Y127 VanDerWaalsContact CG-O 3.3Å; K21-Y127 WeakPolarHBondContact CG-O 2.99Å
128R41.1Very low36.9Very low24 Ų24103.4 Ų103.49%0.09154%0.537CS..  trans-115.2135.8167.4166169-83.9154.5-7.8110.3I22 Y23 I24 Y130I22-R128 VanDerWaalsContact C-NH2 3.28Å; I22-R128 WeakPolarHBondContact O-CA 3.24Å; I22-R128 WeakPolarHBondContact O-CB 3.4Å; I22-R128 WeakPolarHBondContact O-CD 3.05Å; I22-R128 WeakPolarHBondContact O-CG 3.47Å; I22-R128 PolarHBondContact O-NE 3.09Å; Y23-R128 VanDerWaalsContact C-NE 3.26Å; Y23-R128 VanDerWaalsContact CA-NH2 3.33Å; Y23-R128 PolarHBondContact O-NH2 3.33Å; I24-R128 VanDerWaalsContact CD1-CZ 3.48Å; R128-Y130 HydrophobicContact CG-CD2 4.39Å; R128-Y130 HydrophobicContact CG-CE2 4.16Å
129S30.3Very low35.8Very low41 Ų41108.6 Ų108.629%0.28756%0.556SS.*  trans-99.8143.8161.9131.10000109.2Y23Y23-S129 WeakPolarHBondContact CD1-O 3.45Å; Y23-S129 WeakPolarHBondContact CE1-OG 3.12Å
130Y38Very low35.1Very low52 Ų52111.9 Ų111.920%0.20457%0.571CS.*  trans-102.6122.5171.8-70-88.3000107.9I24 P26 R128 N132I24-Y130 VanDerWaalsContact O-CD1 3.23Å; I24-Y130 WeakPolarHBondContact O-CD1 3.39Å; I24-Y130 WeakPolarHBondContact O-CE1 3.48Å; P26-Y130 HydrophobicContact CG-CD1 4.23Å; P26-Y130 HydrophobicContact CG-CE1 3.8Å; R128-Y130 HydrophobicContact CG-CD2 4.39Å; R128-Y130 HydrophobicContact CG-CE2 4.16Å; Y130-N132 PolarHBondContact O-N 2.59Å
131L31.8Very low34.5Very low137 Ų137111.3 Ų111.372%0.71757%0.57SS**  trans-80.297.8161.7-70.5171.5000106.8
132N33Very low33.9Very low131 Ų131114.7 Ų114.770%0.70158%0.584SS**  trans-59.4138.5156.5-105.6-26.6000106.8Y130 K134Y130-N132 PolarHBondContact O-N 2.59Å; N132-K134 PolarHBondContact O-N 2.68Å
133G30.7Very low33.6Very low87 Ų87118.1 Ų118.190%0.89760%0.601SS**SBendtrans-63.734.3176.500000115
134K26.5Very low32.7Very low187 Ų187116.5 Ų116.581%0.81360%0.599SS**SBendtrans-143.6103.5165.4-71.3-171.4178.1178.70108.7N132N132-K134 PolarHBondContact O-N 2.68Å
135A25.3Very low32Very low87 Ų87120.1 Ų120.172%0.71962%0.617SS**  trans38123.2149.500000120.5
136N24.5Very low30.9Very low152 Ų152120.7 Ų120.781%0.81363%0.626SS**  trans55.1107.1138.7-59.8-25.9000119.6
137K23.3Very low29.9Very low197 Ų197128.7 Ų128.786%0.85767%0.668SS**  -177.8121.2120.7-107.9174.2176.4178.10112.1
138T21.9Very low29.6Very low139 Ų139128.4 Ų128.485%0.85368%0.679SS**  trans-85.8134.2161.4-56.70000108.1
139I25.2Very low28.6Very low139 Ų139137.1 Ų137.171%0.71373%0.728SS**  trans-134.3135.2161.5-52.9-178.6000106.5
140Y33.3Very low28.5Very low296 Ų296145.8 Ų145.8100%1.16177%0.768SS**  trans-41.60-167.6-56.5-89.2000116.6

Retrieved 140 of 140 residues in 77.9 ms (Link to these results)

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