A0A077ZFR0_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 A0A077ZFR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 176 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
1M51Low78.8Confident240 Ų24097.8 Ų97.8100%1.18252%0.519SS*.  0113.30-68.3174-177.300105.2
2A60.5Low79.9Confident68 Ų6889.7 Ų89.756%0.56248%0.475SS*.  trans-73.3134.7177.200000108.3E7A2-E7 HydrophobicContact CB-CG 4.46Å
3D72.4Confident80.9Confident104 Ų10490.6 Ų90.656%0.55648%0.481SS*.  trans-64.2128.2171.7-63.6-74.9000108.3S5 I6D3-S5 PolarHBondContact O-N 2.85Å; D3-I6 HydrophobicContact CB-CD1 3.93Å; D3-I6 HydrophobicContact CB-CG1 4.09Å; D3-I6 WeakPolarHBondContact O-CB 3.35Å; D3-I6 PolarHBondContact O-N 3.02Å
4P72.1Confident81.8Confident88 Ų8892.6 Ų92.657%0.57148%0.483SS*.Hα-helixtrans-56.6-29.4-176.621-32.6000112.1I6 E7 E8P4-I6 VanDerWaalsContact C-N 3.27Å; P4-I6 PolarHBondContact O-N 3.16Å; P4-E7 PolarHBondContact O-N 3.36Å; P4-E8 WeakPolarHBondContact O-CG 3.42Å; P4-E8 PolarHBondContact O-N 3.3Å
5S79.6Confident82.5Confident51 Ų5186.7 Ų86.736%0.35745%0.452SS..Hα-helixtrans-64.5-26.2175.7-550000114.1D3 K9D3-S5 PolarHBondContact O-N 2.85Å; S5-K9 VanDerWaalsContact O-CG 3.25Å; S5-K9 WeakPolarHBondContact O-CG 3.25Å; S5-K9 PolarHBondContact O-N 3.33Å; S5-K9 VanDerWaalsContact O-N 3.16Å
6I84Confident83.2Confident83 Ų8386.2 Ų86.243%0.42645%0.454SS..Hα-helixtrans-71.9-49176.1-62.8169.3000109D3 P4 E8 K9 E10D3-I6 HydrophobicContact CB-CD1 3.93Å; D3-I6 HydrophobicContact CB-CG1 4.09Å; D3-I6 WeakPolarHBondContact O-CB 3.35Å; D3-I6 PolarHBondContact O-N 3.02Å; P4-I6 VanDerWaalsContact C-N 3.27Å; P4-I6 PolarHBondContact O-N 3.16Å; I6-E8 VanDerWaalsContact C-N 3.3Å; I6-E8 PolarHBondContact O-N 3.07Å; I6-K9 WeakPolarHBondContact O-CB 3.46Å; I6-K9 PolarHBondContact O-N 3.04Å; I6-E10 WeakPolarHBondContact O-CG 3.28Å; I6-E10 PolarHBondContact O-N 2.65Å
7E86.8Confident83.8Confident105 Ų10583.6 Ų83.649%0.49144%0.439SS..Hα-helixtrans-58.8-43.2178.1-64.2177.482.400111.3A2 P4 K9 E10 L11A2-E7 HydrophobicContact CB-CG 4.46Å; P4-E7 PolarHBondContact O-N 3.36Å; E7-K9 PolarHBondContact O-N 3.33Å; E7-E10 PolarHBondContact O-N 2.92Å; E7-L11 VanDerWaalsContact O-CG 3.29Å; E7-L11 WeakPolarHBondContact O-CG 3.44Å; E7-L11 PolarHBondContact O-N 2.95Å
8E88.7Confident84.3Confident47 Ų4783.6 Ų83.622%0.2245%0.446CS..Hα-helixtrans-60.5-42.8174.7-69.7-174.6113.400112.4P4 I6 L11 L12 I99 T120P4-E8 WeakPolarHBondContact O-CG 3.42Å; P4-E8 PolarHBondContact O-N 3.3Å; I6-E8 VanDerWaalsContact C-N 3.3Å; I6-E8 PolarHBondContact O-N 3.07Å; E8-L11 PolarHBondContact O-N 3.21Å; E8-L12 VanDerWaalsContact O-CG 3.23Å; E8-L12 WeakPolarHBondContact O-CG 3.29Å; E8-L12 PolarHBondContact O-N 3.46Å; E8-I99 HydrophobicContact CB-CG1 3.99Å; E8-I99 HydrophobicContact CG-CG1 3.91Å; E8-T120 HydrophobicContact CB-CG2 3.8Å; E8-T120 VanDerWaalsContact OE2-CB 3.28Å; E8-T120 WeakPolarHBondContact OE2-CB 3.18Å; E8-T120 PolarHBondContact OE2-OG1 2.77Å
9K90.3Very high84.6Confident128 Ų12882.9 Ų82.956%0.55744%0.439SS*.Hα-helixtrans-62.4-44176.6-76.5175-174174.90111.3S5 I6 E7 L11 L12 D13 T120S5-K9 VanDerWaalsContact O-CG 3.25Å; S5-K9 WeakPolarHBondContact O-CG 3.25Å; S5-K9 PolarHBondContact O-N 3.33Å; S5-K9 VanDerWaalsContact O-N 3.16Å; I6-K9 WeakPolarHBondContact O-CB 3.46Å; I6-K9 PolarHBondContact O-N 3.04Å; E7-K9 PolarHBondContact O-N 3.33Å; K9-L11 VanDerWaalsContact C-N 3.32Å; K9-L11 PolarHBondContact O-N 2.96Å; K9-L12 PolarHBondContact O-N 3.46Å; K9-D13 PolarHBondContact O-N 3.41Å; K9-T120 HydrophobicContact CB-CG2 4.37Å; K9-T120 HydrophobicContact CD-CG2 4.42Å; K9-T120 HydrophobicContact CG-CG2 3.39Å
10E90.5Very high84.8Confident116 Ų11684.1 Ų84.154%0.54245%0.445SS..Hα-helixtrans-62.3-39.7177.6-69.3-170.395.900111.9I6 E7 D13 K14I6-E10 WeakPolarHBondContact O-CG 3.28Å; I6-E10 PolarHBondContact O-N 2.65Å; E7-E10 PolarHBondContact O-N 2.92Å; E10-D13 PolarHBondContact O-N 3Å; E10-K14 WeakPolarHBondContact O-CG 3.49Å; E10-K14 PolarHBondContact O-N 3.25Å
11L91.2Very high85.1Confident46 Ų4681.7 Ų81.724%0.24144%0.436CS..Hα-helixtrans-62.8-43.1174-69.8172.1000111.9E7 E8 K9 D13 K14 T42 I99E7-L11 VanDerWaalsContact O-CG 3.29Å; E7-L11 WeakPolarHBondContact O-CG 3.44Å; E7-L11 PolarHBondContact O-N 2.95Å; E8-L11 PolarHBondContact O-N 3.21Å; K9-L11 VanDerWaalsContact C-N 3.32Å; K9-L11 PolarHBondContact O-N 2.96Å; L11-D13 VanDerWaalsContact C-N 3.29Å; L11-D13 PolarHBondContact O-N 3.33Å; L11-K14 PolarHBondContact O-N 3.12Å; L11-T42 HydrophobicContact CB-CG2 4.37Å; L11-T42 HydrophobicContact CD2-CG2 3.94Å; L11-T42 WeakPolarHBondContact O-CG2 3.07Å; L11-I99 HydrophobicContact CB-CD1 4.2Å; L11-I99 HydrophobicContact CD1-CD1 4.45Å
12L92.4Very high87Confident0 Ų070.3 Ų70.30%038%0.379CS..Hα-helixtrans-68.3-29.7178.2-65.3171.5000112.4E8 K9 K14 I15 I46 L97 I99 T120 R122E8-L12 VanDerWaalsContact O-CG 3.23Å; E8-L12 WeakPolarHBondContact O-CG 3.29Å; E8-L12 PolarHBondContact O-N 3.46Å; K9-L12 PolarHBondContact O-N 3.46Å; L12-K14 VanDerWaalsContact C-N 3.35Å; L12-I15 WeakPolarHBondContact O-CB 3.4Å; L12-I15 VanDerWaalsContact O-CG1 3.3Å; L12-I15 WeakPolarHBondContact O-CG1 3.23Å; L12-I15 PolarHBondContact O-N 3.33Å; L12-I46 HydrophobicContact CD2-CD1 4.04Å; L12-I46 HydrophobicContact CD2-CG2 3.8Å; L12-L97 HydrophobicContact CD2-CB 3.76Å; L12-I99 HydrophobicContact CD2-CD1 3.8Å; L12-I99 HydrophobicContact CD2-CG1 4.48Å; L12-I99 HydrophobicContact CG-CD1 3.98Å; L12-T120 HydrophobicContact CD1-CG2 4.05Å; L12-R122 VanDerWaalsContact C-CD 3.42Å; L12-R122 HydrophobicContact CB-CB 3.68Å; L12-R122 HydrophobicContact CB-CG 4.48Å; L12-R122 HydrophobicContact CD1-CB 4.05Å; L12-R122 HydrophobicContact CG-CB 4.43Å; L12-R122 WeakPolarHBondContact O-CD 3.37Å; L12-R122 PolarHBondContact O-NH1 2.95Å; L12-R122 VanDerWaalsContact O-NH1 3.13Å
13D91.9Very high88.4Confident102 Ų10274.5 Ų74.555%0.54539%0.385SS..Hα-helixtrans-72.7-29.4178.2-155.8-108.2000113.1K9 E10 L11 I15 R122K9-D13 PolarHBondContact O-N 3.41Å; E10-D13 PolarHBondContact O-N 3Å; L11-D13 VanDerWaalsContact C-N 3.29Å; L11-D13 PolarHBondContact O-N 3.33Å; D13-I15 PolarHBondContact O-N 2.88Å; D13-I15 VanDerWaalsContact O-N 3.12Å; D13-R122 IonicContact OD2-CZ 2.78Å; D13-R122 VanDerWaalsContact OD2-CZ 3.23Å; D13-R122 IonicContact OD2-NE 3.31Å; D13-R122 PolarHBondContact OD2-NE 2.94Å; D13-R122 IonicContact OD2-NH2 2.67Å; D13-R122 PolarHBondContact OD2-NH2 3.4Å
14K93.3Very high89.3Confident119 Ų11969.9 Ų69.952%0.51736%0.36SS..THydrogen-bonded Turntrans-64.4-12.7171.9-68.7171.7-176.3176.60113.9E10 L11 L12 T16 P41 T42E10-K14 WeakPolarHBondContact O-CG 3.49Å; E10-K14 PolarHBondContact O-N 3.25Å; L11-K14 PolarHBondContact O-N 3.12Å; L12-K14 VanDerWaalsContact C-N 3.35Å; K14-T16 PolarHBondContact O-N 3.46Å; K14-P41 HydrophobicContact CB-CG 4.13Å; K14-P41 VanDerWaalsContact O-CD 3.28Å; K14-P41 WeakPolarHBondContact O-CD 3.32Å; K14-P41 WeakPolarHBondContact O-CG 3.43Å; K14-T42 HydrophobicContact CB-CG2 3.95Å; K14-T42 HydrophobicContact CD-CG2 4.22Å
15I93.1Very high90.1Very high3 Ų369.5 Ų69.52%0.01535%0.349CS..  trans-71.2120177.4-53.2-57.2000109.8L12 D13 F17 N40 T42 I46 L67 L97 R122L12-I15 WeakPolarHBondContact O-CB 3.4Å; L12-I15 VanDerWaalsContact O-CG1 3.3Å; L12-I15 WeakPolarHBondContact O-CG1 3.23Å; L12-I15 PolarHBondContact O-N 3.33Å; D13-I15 PolarHBondContact O-N 2.88Å; D13-I15 VanDerWaalsContact O-N 3.12Å; I15-F17 HydrophobicContact CG2-CE2 4.08Å; I15-F17 HydrophobicContact CG2-CZ 4.42Å; I15-N40 HydrophobicContact CD1-CB 3.74Å; I15-N40 VanDerWaalsContact CD1-OD1 3.25Å; I15-N40 WeakPolarHBondContact CD1-OD1 3.31Å; I15-T42 HydrophobicContact CD1-CG2 4.48Å; I15-I46 HydrophobicContact CD1-CG1 3.98Å; I15-L67 HydrophobicContact CG2-CD2 4.13Å; I15-L97 HydrophobicContact CB-CD1 3.86Å; I15-L97 HydrophobicContact CG1-CD1 4.08Å; I15-L97 HydrophobicContact CG2-CD1 3.94Å; I15-R122 PolarHBondContact O-NH1 2.89Å
16T93.3Very high90.5Very high79 Ų7967 Ų6749%0.48533%0.332SS..EExtended strand (participates in β ladder)trans-100.4147.7-17861.10000111.8K14 M38 T39K14-T16 PolarHBondContact O-N 3.46Å; T16-M38 WeakPolarHBondContact O-CA 3.12Å; T16-T39 PolarHBondContact N-O 3.29Å; T16-T39 VanDerWaalsContact N-O 3.12Å; T16-T39 PolarHBondContact O-N 2.77Å
17F93.3Very high90.7Very high43 Ų4363.1 Ų63.119%0.18931%0.312CS..EExtended strand (participates in β ladder)trans-118.8133.4179.4-65.4-104.8000107.7I15 K19 F36 R37 M38 V95 L97 V124 I126I15-F17 HydrophobicContact CG2-CE2 4.08Å; I15-F17 HydrophobicContact CG2-CZ 4.42Å; F17-K19 PolarHBondContact O-N 2.82Å; F17-F36 AromaticContact CD1-CD2 3.99Å; F17-F36 HydrophobicContact CD1-CD2 3.99Å; F17-F36 AromaticContact CD1-CE2 3.73Å; F17-F36 HydrophobicContact CD1-CE2 3.73Å; F17-F36 HydrophobicContact CE1-CE2 4.03Å; F17-R37 WeakPolarHBondContact CA-O 2.9Å; F17-M38 HydrophobicContact CD1-CG 3.81Å; F17-M38 HydrophobicContact CE1-CE 3.86Å; F17-M38 HydrophobicContact CE1-CG 3.7Å; F17-M38 HydrophobicContact CE1-SD 4.02Å; F17-M38 HydrophobicContact CZ-CE 4.02Å; F17-V95 HydrophobicContact CE1-CB 4.16Å; F17-V95 HydrophobicContact CE1-CG1 4.07Å; F17-V95 HydrophobicContact CE1-CG2 4.16Å; F17-V95 HydrophobicContact CZ-CB 4.46Å; F17-V95 HydrophobicContact CZ-CG1 4.26Å; F17-L97 HydrophobicContact CE2-CD1 4.21Å; F17-L97 HydrophobicContact CZ-CD1 3.97Å; F17-L97 HydrophobicContact CZ-CD2 4.46Å; F17-V124 HydrophobicContact CD1-CG1 4.48Å; F17-V124 HydrophobicContact CD2-CG1 4.25Å; F17-V124 HydrophobicContact CE1-CB 4.39Å; F17-V124 HydrophobicContact CE1-CG1 4.18Å; F17-V124 HydrophobicContact CE2-CB 4.16Å; F17-V124 HydrophobicContact CE2-CG1 3.97Å; F17-V124 HydrophobicContact CE2-CG2 3.69Å; F17-V124 HydrophobicContact CZ-CB 3.86Å; F17-V124 HydrophobicContact CZ-CG1 3.92Å; F17-V124 HydrophobicContact CZ-CG2 3.71Å; F17-I126 HydrophobicContact CD1-CD1 4.23Å
18S93Very high90.7Very high82 Ų8259.6 Ų59.657%0.57330%0.295SS*.SBendtrans-71-15.9177.9680000113.5R37S18-R37 PolarHBondContact N-O 3.42Å; S18-R37 PolarHBondContact OG-N 3.49Å
19K89.3Confident90.5Very high71 Ų7162.5 Ų62.531%0.30931%0.312SS..  trans-154.6137.2-176.2-148.8-179.3-174.5171.40109.2F17 S21 F22 D34 F36F17-K19 PolarHBondContact O-N 2.82Å; K19-S21 WeakPolarHBondContact CD-O 3.17Å; K19-S21 WeakPolarHBondContact CE-O 3.49Å; K19-S21 WeakPolarHBondContact CG-O 3.41Å; K19-F22 HydrophobicContact CD-CD1 4.28Å; K19-F22 HydrophobicContact CD-CE1 4.09Å; K19-D34 IonicContact NZ-OD2 3.08Å; K19-D34 PolarHBondContact NZ-OD2 2.83Å; K19-F36 HydrophobicContact CB-CB 4.17Å
20D88.8Confident90.5Very high106 Ų10660.4 Ų60.457%0.56730%0.304SS*.SBendtrans-109.1-6.7178.858-82.2000113I126 N127D20-I126 VanDerWaalsContact O-CA 3.26Å; D20-I126 WeakPolarHBondContact O-CA 3.43Å; D20-I126 VanDerWaalsContact O-CG2 3.29Å; D20-I126 WeakPolarHBondContact O-CG2 2.96Å; D20-N127 PolarHBondContact O-N 2.67Å
21S91.4Very high90.5Very high35 Ų3557.3 Ų57.325%0.24529%0.291CS..EExtended strand (participates in β ladder)trans-145.3149.4179.6500000112.3K19 N127K19-S21 WeakPolarHBondContact CD-O 3.17Å; K19-S21 WeakPolarHBondContact CE-O 3.49Å; K19-S21 WeakPolarHBondContact CG-O 3.41Å; S21-N127 CarbonylContact C-O 3.58Å; S21-N127 WeakPolarHBondContact CA-O 3.49Å
22F90.5Very high90.5Very high0 Ų058 Ų580%029%0.29CS..EExtended strand (participates in β ladder)trans-118.3143.4172.4-72.9-76.7000110K19 F24 D34 F36 V77 L93 I126 N127 V128 E129K19-F22 HydrophobicContact CD-CD1 4.28Å; K19-F22 HydrophobicContact CD-CE1 4.09Å; F22-F24 HydrophobicContact CB-CD2 4.08Å; F22-F24 HydrophobicContact CB-CE2 3.57Å; F22-F24 HydrophobicContact CB-CZ 4.19Å; F22-F24 HydrophobicContact CD1-CE2 4.21Å; F22-F24 HydrophobicContact CD1-CZ 4.01Å; F22-F24 AromaticContact CG-CE2 3.98Å; F22-F24 HydrophobicContact CG-CE2 3.98Å; F22-F24 HydrophobicContact CG-CZ 4.24Å; F22-D34 HydrophobicContact CD1-CB 3.72Å; F22-D34 WeakPolarHBondContact CD1-OD2 3.1Å; F22-D34 HydrophobicContact CE1-CB 3.7Å; F22-D34 WeakPolarHBondContact CE1-OD2 3.46Å; F22-F36 AromaticContact CE2-CD1 3.96Å; F22-F36 HydrophobicContact CE2-CD1 3.96Å; F22-F36 HydrophobicContact CE2-CE1 4.4Å; F22-F36 HydrophobicContact CE2-CG 4.49Å; F22-F36 HydrophobicContact CZ-CB 3.87Å; F22-F36 AromaticContact CZ-CD1 3.53Å; F22-F36 HydrophobicContact CZ-CD1 3.53Å; F22-F36 HydrophobicContact CZ-CE1 4.35Å; F22-F36 AromaticContact CZ-CG 4Å; F22-F36 HydrophobicContact CZ-CG 4Å; F22-V77 HydrophobicContact CE1-CG2 4.42Å; F22-V77 HydrophobicContact CE2-CB 4.5Å; F22-V77 HydrophobicContact CE2-CG2 3.78Å; F22-V77 HydrophobicContact CZ-CB 4.33Å; F22-V77 HydrophobicContact CZ-CG2 3.76Å; F22-L93 HydrophobicContact CD2-CD1 4.05Å; F22-L93 HydrophobicContact CE2-CD1 4.04Å; F22-I126 HydrophobicContact CD2-CG2 3.55Å; F22-I126 HydrophobicContact CE2-CG2 3.62Å; F22-N127 PolarHBondContact N-O 2.83Å; F22-V128 HydrophobicContact CB-CG1 4.23Å; F22-V128 HydrophobicContact CB-CG2 4.24Å; F22-V128 HydrophobicContact CD2-CG2 4.33Å; F22-E129 PolarHBondContact O-N 2.88Å
23K90.9Very high90.5Very high156 Ų15663.4 Ų63.468%0.67832%0.319SS*.EExtended strand (participates in β ladder)trans-122.4112.3170.9-72.3-175.7174.1-175.20108.1E129K23-E129 WeakPolarHBondContact CA-O 3.46Å; K23-E129 WeakPolarHBondContact CE-OE2 3.29Å; K23-E129 HydrophobicContact CG-CB 4.22Å; K23-E129 IonicContact NZ-OE2 3.22Å
24F90.9Very high90.6Very high8 Ų860.8 Ų60.84%0.03531%0.305CS..EExtended strand (participates in β ladder)trans-110.4135.4177.2-68.8-69.6000110F22 P26 R32 D34 L58 V77 F79 V128 E129 Y130 D131F22-F24 HydrophobicContact CB-CD2 4.08Å; F22-F24 HydrophobicContact CB-CE2 3.57Å; F22-F24 HydrophobicContact CB-CZ 4.19Å; F22-F24 HydrophobicContact CD1-CE2 4.21Å; F22-F24 HydrophobicContact CD1-CZ 4.01Å; F22-F24 AromaticContact CG-CE2 3.98Å; F22-F24 HydrophobicContact CG-CE2 3.98Å; F22-F24 HydrophobicContact CG-CZ 4.24Å; F24-P26 WeakPolarHBondContact O-CD 3.39Å; F24-R32 HydrophobicContact CD1-CB 3.68Å; F24-R32 HydrophobicContact CE1-CB 4.21Å; F24-D34 HydrophobicContact CE1-CB 3.65Å; F24-D34 HydrophobicContact CZ-CB 3.75Å; F24-L58 HydrophobicContact CE2-CD1 4.06Å; F24-V77 HydrophobicContact CE2-CG1 3.93Å; F24-V77 HydrophobicContact CZ-CB 4.26Å; F24-V77 HydrophobicContact CZ-CG1 3.79Å; F24-F79 HydrophobicContact CB-CB 4.26Å; F24-F79 HydrophobicContact CB-CD1 4.18Å; F24-F79 HydrophobicContact CB-CG 4.19Å; F24-F79 HydrophobicContact CD1-CB 3.9Å; F24-F79 HydrophobicContact CD2-CB 4.01Å; F24-F79 HydrophobicContact CD2-CG 4.43Å; F24-F79 HydrophobicContact CE1-CB 4.19Å; F24-F79 HydrophobicContact CE2-CB 4.31Å; F24-F79 HydrophobicContact CG-CB 3.79Å; F24-F79 HydrophobicContact CG-CG 4.21Å; F24-F79 HydrophobicContact CZ-CB 4.4Å; F24-V128 HydrophobicContact CD2-CG1 3.67Å; F24-V128 HydrophobicContact CE2-CG1 3.99Å; F24-E129 PolarHBondContact N-O 2.69Å; F24-Y130 HydrophobicContact CB-CD1 4.1Å; F24-Y130 HydrophobicContact CB-CE1 4.24Å; F24-Y130 VanDerWaalsContact O-CA 3.31Å; F24-Y130 WeakPolarHBondContact O-CA 3.38Å; F24-D131 PolarHBondContact O-N 2.76Å
25K89.1Confident90.6Very high79 Ų7961.4 Ų61.434%0.34331%0.308SS..  trans-87.2111.8166.9-171-178.1-176.9-163.70108.4R32 D131 A133 E135K25-R32 WeakPolarHBondContact O-CG 3.37Å; K25-D131 HydrophobicContact CB-CB 4.17Å; K25-D131 HydrophobicContact CG-CB 4.06Å; K25-A133 VanDerWaalsContact CE-O 3.29Å; K25-A133 WeakPolarHBondContact CE-O 3.49Å; K25-A133 WeakPolarHBondContact CG-O 3.18Å; K25-E135 IonicContact NZ-OE2 2.78Å; K25-E135 PolarHBondContact NZ-OE2 2.78Å
26P88Confident90.7Very high0 Ų061.3 Ų61.30%031%0.307CS..  trans-62.2140.7179.6-15.929.6000110.6F24 F79 L82 F86 Y130 D131 I134 E135F24-P26 WeakPolarHBondContact O-CD 3.39Å; P26-F79 HydrophobicContact CB-CE1 4.05Å; P26-L82 HydrophobicContact CB-CD1 3.69Å; P26-L82 HydrophobicContact CB-CD2 4.32Å; P26-L82 HydrophobicContact CB-CG 4.13Å; P26-F86 HydrophobicContact CB-CD1 4.12Å; P26-F86 HydrophobicContact CB-CE1 3.97Å; P26-F86 HydrophobicContact CB-CZ 4.5Å; P26-F86 HydrophobicContact CG-CD1 3.97Å; P26-F86 HydrophobicContact CG-CE1 3.38Å; P26-F86 HydrophobicContact CG-CZ 3.97Å; P26-Y130 HydrophobicContact CG-CD1 4.36Å; P26-D131 WeakPolarHBondContact CD-O 3.3Å; P26-I134 HydrophobicContact CB-CG1 4.25Å; P26-I134 HydrophobicContact CB-CG2 4.31Å; P26-I134 HydrophobicContact CG-CG1 4.47Å; P26-I134 WeakPolarHBondContact O-CA 3.2Å; P26-E135 PolarHBondContact O-N 3.48Å
27S88Confident90.7Very high1 Ų162.4 Ų62.41%0.00730%0.302CS..BIsolated β-bridgetrans-141.3141.3179-179.80000110.4N29 E30 K81 L82 E135S27-N29 VanDerWaalsContact C-N 3.33Å; S27-N29 PolarHBondContact OG-N 3.19Å; S27-N29 VanDerWaalsContact OG-N 3.16Å; S27-E30 PolarHBondContact OG-N 2.91Å; S27-K81 CarbonylContact O-C 3.52Å; S27-K81 WeakPolarHBondContact O-CA 3Å; S27-K81 WeakPolarHBondContact O-CB 3.12Å; S27-L82 PolarHBondContact O-N 2.79Å; S27-E135 CarbonylContact C-O 3.44Å; S27-E135 WeakPolarHBondContact CA-O 3.42Å; S27-E135 PolarHBondContact OG-O 3.16Å
28Y86.1Confident90.7Very high31 Ų3160.3 Ų60.312%0.12229%0.293CS..SBendtrans-81.1-17.1170.7-69.1-78.4000112.6L82 I134 E135 G136 V137 P138Y28-L82 HydrophobicContact CD1-CB 3.44Å; Y28-L82 VanDerWaalsContact CD1-CB 3.44Å; Y28-L82 HydrophobicContact CD1-CD1 4.48Å; Y28-L82 VanDerWaalsContact CD1-O 3.31Å; Y28-L82 WeakPolarHBondContact CD1-O 3.22Å; Y28-L82 HydrophobicContact CE1-CB 3.43Å; Y28-L82 VanDerWaalsContact CE1-CB 3.43Å; Y28-L82 HydrophobicContact CE1-CD1 4.05Å; Y28-L82 HydrophobicContact CE1-CG 4.43Å; Y28-L82 HydrophobicContact CE2-CD1 4.16Å; Y28-L82 HydrophobicContact CG-CB 4.11Å; Y28-I134 HydrophobicContact CD2-CG2 3.68Å; Y28-I134 HydrophobicContact CE2-CB 4.47Å; Y28-I134 HydrophobicContact CE2-CG2 3.32Å; Y28-E135 PolarHBondContact N-O 3.39Å; Y28-G136 WeakPolarHBondContact CD2-O 3.47Å; Y28-V137 WeakPolarHBondContact CB-O 3.28Å; Y28-P138 HydrophobicContact CD1-CB 4.17Å; Y28-P138 HydrophobicContact CE1-CB 3.8Å; Y28-P138 HydrophobicContact CE2-CB 4.18Å
29N85.8Confident90.8Very high108 Ų10858.4 Ų58.458%0.57828%0.278SS*.SBendtrans-96.3-37.9-171.4-63.6-38.5000112.5S27 G136S27-N29 VanDerWaalsContact C-N 3.33Å; S27-N29 PolarHBondContact OG-N 3.19Å; S27-N29 VanDerWaalsContact OG-N 3.16Å; N29-G136 WeakPolarHBondContact ND2-CA 3.25Å
30E89Confident91.1Very high83 Ų8355 Ų5539%0.38826%0.263SS..  trans-137.1150.3-16959.3168.2129.700113.9S27 R32 K81S27-E30 PolarHBondContact OG-N 2.91Å; E30-R32 IonicContact OE1-CZ 2.72Å; E30-R32 IonicContact OE1-NH1 3.71Å; E30-R32 PolarHBondContact OE1-NH1 2.89Å; E30-R32 IonicContact OE1-NH2 2.77Å; E30-R32 PolarHBondContact OE1-NH2 3.4Å; E30-R32 VanDerWaalsContact OE1-NH2 3.08Å; E30-R32 IonicContact OE2-CZ 3.95Å; E30-R32 VanDerWaalsContact OE2-CZ 3.31Å; E30-R32 IonicContact OE2-NE 3.79Å; E30-R32 IonicContact OE2-NH1 2.71Å; E30-R32 PolarHBondContact OE2-NH1 2.94Å; E30-R32 IonicContact OE2-NH2 3.81Å; E30-K81 WeakPolarHBondContact O-CB 3.2Å
31D91.3Very high91.3Very high52 Ų5252.8 Ų52.828%0.27825%0.254SS..  trans-82.7136.4172.3-56.4-39.5000109.7K78 F79 Y80 K81D31-K78 HydrophobicContact CB-CG 4.49Å; D31-K78 WeakPolarHBondContact OD2-CE 3.49Å; D31-K78 IonicContact OD2-NZ 3.74Å; D31-K78 PolarHBondContact OD2-NZ 2.85Å; D31-F79 CarbonylContact C-O 3.57Å; D31-F79 WeakPolarHBondContact CA-O 3.26Å; D31-Y80 VanDerWaalsContact OD1-CA 3.32Å; D31-Y80 WeakPolarHBondContact OD1-CA 3.04Å; D31-K81 PolarHBondContact OD1-N 2.89Å
32R91.4Very high91.3Very high59 Ų5951.4 Ų51.422%0.22325%0.245CC..EExtended strand (participates in β ladder)trans-95.4135.6173.1-57.9-60.3-171.5-175-4.4110.3F24 K25 E30 K78 F79 E135F24-R32 HydrophobicContact CD1-CB 3.68Å; F24-R32 HydrophobicContact CE1-CB 4.21Å; K25-R32 WeakPolarHBondContact O-CG 3.37Å; E30-R32 IonicContact OE1-CZ 2.72Å; E30-R32 IonicContact OE1-NH1 3.71Å; E30-R32 PolarHBondContact OE1-NH1 2.89Å; E30-R32 IonicContact OE1-NH2 2.77Å; E30-R32 PolarHBondContact OE1-NH2 3.4Å; E30-R32 VanDerWaalsContact OE1-NH2 3.08Å; E30-R32 IonicContact OE2-CZ 3.95Å; E30-R32 VanDerWaalsContact OE2-CZ 3.31Å; E30-R32 IonicContact OE2-NE 3.79Å; E30-R32 IonicContact OE2-NH1 2.71Å; E30-R32 PolarHBondContact OE2-NH1 2.94Å; E30-R32 IonicContact OE2-NH2 3.81Å; R32-K78 CarbonylContact O-C 3.53Å; R32-K78 WeakPolarHBondContact O-CA 3.4Å; R32-F79 HydrophobicContact CB-CB 4.37Å; R32-F79 PolarHBondContact N-O 3.23Å; R32-F79 PolarHBondContact O-N 3.18Å; R32-E135 VanDerWaalsContact NH2-CD 3.34Å; R32-E135 IonicContact NH2-OE1 2.88Å; R32-E135 PolarHBondContact NH2-OE1 2.84Å; R32-E135 IonicContact NH2-OE2 3.18Å; R32-E135 PolarHBondContact NH2-OE2 2.8Å
33L93Very high91.3Very high115 Ų11557.2 Ų57.260%0.60228%0.276SS*.EExtended strand (participates in β ladder)trans-120.7131176.3-64.1119.9000109T76 V77 K78L33-T76 HydrophobicContact CB-CG2 4.48Å; L33-T76 HydrophobicContact CD2-CG2 3.79Å; L33-V77 WeakPolarHBondContact CA-O 3.4Å; L33-K78 HydrophobicContact CD2-CB 4.06Å; L33-K78 HydrophobicContact CD2-CD 4.1Å; L33-K78 HydrophobicContact CD2-CG 3.99Å; L33-K78 HydrophobicContact CG-CG 4.18Å
34D93Very high91.3Very high46 Ų4651.6 Ų51.625%0.24626%0.256CS..EExtended strand (participates in β ladder)trans-130.4165.1167.8-160.1-4000108.6K19 F22 F24 T76 V77K19-D34 IonicContact NZ-OD2 3.08Å; K19-D34 PolarHBondContact NZ-OD2 2.83Å; F22-D34 HydrophobicContact CD1-CB 3.72Å; F22-D34 WeakPolarHBondContact CD1-OD2 3.1Å; F22-D34 HydrophobicContact CE1-CB 3.7Å; F22-D34 WeakPolarHBondContact CE1-OD2 3.46Å; F24-D34 HydrophobicContact CE1-CB 3.65Å; F24-D34 HydrophobicContact CZ-CB 3.75Å; D34-T76 CarbonylContact O-C 3.48Å; D34-T76 WeakPolarHBondContact O-CA 3.42Å; D34-V77 PolarHBondContact N-O 3.35Å; D34-V77 PolarHBondContact O-N 2.96Å; D34-V77 VanDerWaalsContact O-O 3.05Å
35K93.8Very high91.3Very high133 Ų13352 Ų5258%0.57826%0.258SS*.EExtended strand (participates in β ladder)trans-138.6144.3-179.162.8-172.1174.5-173.10110.7Y74 V75K35-Y74 HydrophobicContact CD-CD1 4.48Å; K35-V75 VanDerWaalsContact CA-O 3.25Å; K35-V75 WeakPolarHBondContact CA-O 3.44Å
36F93.9Very high91.5Very high1 Ų148.2 Ų48.20%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-125.3155.1167.970.5-72.1000109.9F17 K19 F22 M38 I50 V75 V77 V95 I126F17-F36 AromaticContact CD1-CD2 3.99Å; F17-F36 HydrophobicContact CD1-CD2 3.99Å; F17-F36 AromaticContact CD1-CE2 3.73Å; F17-F36 HydrophobicContact CD1-CE2 3.73Å; F17-F36 HydrophobicContact CE1-CE2 4.03Å; K19-F36 HydrophobicContact CB-CB 4.17Å; F22-F36 AromaticContact CE2-CD1 3.96Å; F22-F36 HydrophobicContact CE2-CD1 3.96Å; F22-F36 HydrophobicContact CE2-CE1 4.4Å; F22-F36 HydrophobicContact CE2-CG 4.49Å; F22-F36 HydrophobicContact CZ-CB 3.87Å; F22-F36 AromaticContact CZ-CD1 3.53Å; F22-F36 HydrophobicContact CZ-CD1 3.53Å; F22-F36 HydrophobicContact CZ-CE1 4.35Å; F22-F36 AromaticContact CZ-CG 4Å; F22-F36 HydrophobicContact CZ-CG 4Å; F36-M38 HydrophobicContact CD2-CG 3.82Å; F36-M38 HydrophobicContact CE2-CG 3.35Å; F36-M38 HydrophobicContact CE2-SD 3.67Å; F36-M38 HydrophobicContact CZ-CG 4.31Å; F36-M38 HydrophobicContact CZ-SD 4.1Å; F36-I50 HydrophobicContact CZ-CD1 4.03Å; F36-V75 HydrophobicContact CD1-CB 3.86Å; F36-V75 HydrophobicContact CD1-CG1 4.22Å; F36-V75 HydrophobicContact CE1-CB 3.43Å; F36-V75 VanDerWaalsContact CE1-CB 3.43Å; F36-V75 HydrophobicContact CE1-CG1 3.45Å; F36-V75 VanDerWaalsContact CE1-CG1 3.45Å; F36-V75 HydrophobicContact CE1-CG2 4.25Å; F36-V75 HydrophobicContact CE2-CB 4.43Å; F36-V75 HydrophobicContact CE2-CG2 4.5Å; F36-V75 HydrophobicContact CZ-CB 3.75Å; F36-V75 HydrophobicContact CZ-CG1 3.91Å; F36-V75 HydrophobicContact CZ-CG2 4.04Å; F36-V75 PolarHBondContact N-O 3.06Å; F36-V75 PolarHBondContact O-N 2.71Å; F36-V77 HydrophobicContact CD1-CG2 4.02Å; F36-V77 HydrophobicContact CE1-CG2 3.86Å; F36-V95 HydrophobicContact CE2-CG2 4.42Å; F36-V95 HydrophobicContact CZ-CG2 4.1Å; F36-I126 HydrophobicContact CD2-CD1 4.06Å; F36-I126 HydrophobicContact CE1-CD1 4.29Å; F36-I126 HydrophobicContact CE2-CD1 3.65Å; F36-I126 HydrophobicContact CZ-CD1 3.76Å
37R94.3Very high91.7Very high101 Ų10148.2 Ų48.238%0.38124%0.242SC..EExtended strand (participates in β ladder)trans-106.5128.9176.8-168.3-176.6-174.8-177.8-0.3108.9F17 S18 V73 Y74F17-R37 WeakPolarHBondContact CA-O 2.9Å; S18-R37 PolarHBondContact N-O 3.42Å; S18-R37 PolarHBondContact OG-N 3.49Å; R37-V73 WeakPolarHBondContact CA-O 3.45Å; R37-Y74 HydrophobicContact CB-CD1 3.99Å; R37-Y74 HydrophobicContact CB-CE1 3.83Å; R37-Y74 HydrophobicContact CG-CD1 4.27Å; R37-Y74 HydrophobicContact CG-CE1 4.04Å; R37-Y74 HydrophobicContact CG-CE2 4.4Å
38M93.9Very high92Very high0 Ų048.1 Ų48.10%024%0.241CC..EExtended strand (participates in β ladder)trans-102.4126.7167.7-57.2169.853.800107.9T16 F17 F36 F48 L67 G72 V73 V75 V95 L97T16-M38 WeakPolarHBondContact O-CA 3.12Å; F17-M38 HydrophobicContact CD1-CG 3.81Å; F17-M38 HydrophobicContact CE1-CE 3.86Å; F17-M38 HydrophobicContact CE1-CG 3.7Å; F17-M38 HydrophobicContact CE1-SD 4.02Å; F17-M38 HydrophobicContact CZ-CE 4.02Å; F36-M38 HydrophobicContact CD2-CG 3.82Å; F36-M38 HydrophobicContact CE2-CG 3.35Å; F36-M38 HydrophobicContact CE2-SD 3.67Å; F36-M38 HydrophobicContact CZ-CG 4.31Å; F36-M38 HydrophobicContact CZ-SD 4.1Å; M38-F48 HydrophobicContact CE-CB 4Å; M38-F48 HydrophobicContact CE-CD2 4.36Å; M38-F48 HydrophobicContact CE-CG 4.08Å; M38-F48 HydrophobicContact SD-CD2 4.22Å; M38-F48 HydrophobicContact SD-CE2 4.46Å; M38-F48 HydrophobicContact SD-CG 4.47Å; M38-L67 HydrophobicContact CB-CD1 4.48Å; M38-L67 HydrophobicContact CB-CD2 3.81Å; M38-L67 HydrophobicContact CE-CD1 3.96Å; M38-L67 HydrophobicContact CE-CD2 4.3Å; M38-G72 CarbonylContact O-C 3.6Å; M38-G72 WeakPolarHBondContact O-CA 3.32Å; M38-V73 HydrophobicContact CB-CG1 4.12Å; M38-V73 PolarHBondContact N-O 3.11Å; M38-V73 PolarHBondContact O-N 3.39Å; M38-V75 HydrophobicContact SD-CG2 3.94Å; M38-V95 HydrophobicContact CE-CG1 3.64Å; M38-V95 HydrophobicContact SD-CG1 4.04Å; M38-L97 HydrophobicContact CE-CD2 3.35Å
39T95.1Very high92.4Very high41 Ų4148.2 Ų48.225%0.25224%0.243SC..EExtended strand (participates in β ladder)trans-116.9129.5-177.9-53.50000110.1T16 P41T16-T39 PolarHBondContact N-O 3.29Å; T16-T39 VanDerWaalsContact N-O 3.12Å; T16-T39 PolarHBondContact O-N 2.77Å; T39-P41 VanDerWaalsContact O-CD 3.22Å; T39-P41 WeakPolarHBondContact O-CD 3.17Å
40N94.6Very high92.7Very high0 Ų043.4 Ų43.40%022%0.217CC..EExtended strand (participates in β ladder)trans-102.1100.3174.4178.114.7000109.7I15 T42 S44 I46 L67 K68 K70 R71I15-N40 HydrophobicContact CD1-CB 3.74Å; I15-N40 VanDerWaalsContact CD1-OD1 3.25Å; I15-N40 WeakPolarHBondContact CD1-OD1 3.31Å; N40-T42 PolarHBondContact O-N 3.13Å; N40-T42 WeakPolarHBondContact OD1-CA 3.48Å; N40-T42 VanDerWaalsContact OD1-CB 3.26Å; N40-T42 WeakPolarHBondContact OD1-CB 3.33Å; N40-T42 WeakPolarHBondContact OD1-CG2 3.33Å; N40-T42 PolarHBondContact OD1-N 3.33Å; N40-T42 PolarHBondContact OD1-OG1 3.33Å; N40-S44 PolarHBondContact ND2-O 3.04Å; N40-I46 WeakPolarHBondContact ND2-CG1 3.47Å; N40-L67 HydrophobicContact CB-CB 3.86Å; N40-L67 HydrophobicContact CB-CD2 3.84Å; N40-L67 HydrophobicContact CB-CG 4.41Å; N40-L67 PolarHBondContact ND2-O 3.25Å; N40-K68 PolarHBondContact ND2-O 3.2Å; N40-K70 WeakPolarHBondContact O-CA 3.26Å; N40-K70 PolarHBondContact O-N 3.12Å; N40-R71 PolarHBondContact N-O 2.61Å; N40-R71 PolarHBondContact O-N 3.34Å
41P93Very high92.8Very high59 Ų5944.5 Ų44.538%0.38322%0.22SC..  trans-80.2-2.2173.734.4-36.4000112.9K14 T39 K70K14-P41 HydrophobicContact CB-CG 4.13Å; K14-P41 VanDerWaalsContact O-CD 3.28Å; K14-P41 WeakPolarHBondContact O-CD 3.32Å; K14-P41 WeakPolarHBondContact O-CG 3.43Å; T39-P41 VanDerWaalsContact O-CD 3.22Å; T39-P41 WeakPolarHBondContact O-CD 3.17Å; P41-K70 WeakPolarHBondContact O-CD 3.43Å; P41-K70 WeakPolarHBondContact O-CE 3.43Å; P41-K70 PolarHBondContact O-NZ 3.32Å
42T92.2Very high92.7Very high6 Ų642.9 Ų42.94%0.03721%0.213CC..SBendtrans-84.8170.7-17981.10000112.1L11 K14 I15 N40 S44 P69 K70L11-T42 HydrophobicContact CB-CG2 4.37Å; L11-T42 HydrophobicContact CD2-CG2 3.94Å; L11-T42 WeakPolarHBondContact O-CG2 3.07Å; K14-T42 HydrophobicContact CB-CG2 3.95Å; K14-T42 HydrophobicContact CD-CG2 4.22Å; I15-T42 HydrophobicContact CD1-CG2 4.48Å; N40-T42 PolarHBondContact O-N 3.13Å; N40-T42 WeakPolarHBondContact OD1-CA 3.48Å; N40-T42 VanDerWaalsContact OD1-CB 3.26Å; N40-T42 WeakPolarHBondContact OD1-CB 3.33Å; N40-T42 WeakPolarHBondContact OD1-CG2 3.33Å; N40-T42 PolarHBondContact OD1-N 3.33Å; N40-T42 PolarHBondContact OD1-OG1 3.33Å; T42-S44 PolarHBondContact OG1-N 3.14Å; T42-S44 PolarHBondContact OG1-O 2.89Å; T42-P69 WeakPolarHBondContact O-CA 3.2Å; T42-K70 PolarHBondContact O-N 2.87Å; T42-K70 VanDerWaalsContact O-N 3.14Å
43D90.8Very high92.3Very high123 Ų12343 Ų4366%0.65822%0.22SC*.SBendtrans-92.90.9176.7-63.3-78.6000112.5P69 K70D43-P69 WeakPolarHBondContact O-CG 3.13Å; D43-K70 WeakPolarHBondContact OD1-CE 3.45Å; D43-K70 IonicContact OD1-NZ 2.88Å; D43-K70 PolarHBondContact OD1-NZ 3.07Å; D43-K70 VanDerWaalsContact OD2-CE 3.31Å; D43-K70 WeakPolarHBondContact OD2-CE 3.45Å; D43-K70 IonicContact OD2-NZ 3.23Å; D43-K70 PolarHBondContact OD2-NZ 2.89Å
44S89.6Confident91.8Very high37 Ų3740 Ų4026%0.25920%0.201SC..SBendtrans-99.3149.1-179-64.60000111.8N40 T42N40-S44 PolarHBondContact ND2-O 3.04Å; T42-S44 PolarHBondContact OG1-N 3.14Å; T42-S44 PolarHBondContact OG1-O 2.89Å
45L91.4Very high91.1Very high16 Ų1644.7 Ų44.78%0.08423%0.225CC..  trans-80.1126.5173.6-17067.4000109.1K68 L100 E105L45-K68 HydrophobicContact CD1-CB 4.46Å; L45-K68 HydrophobicContact CD1-CG 4.08Å; L45-L100 HydrophobicContact CB-CB 4.29Å; L45-L100 HydrophobicContact CD2-CB 4.09Å; L45-L100 HydrophobicContact CD2-CD2 3.33Å; L45-L100 HydrophobicContact CD2-CG 3.98Å; L45-L100 HydrophobicContact CG-CB 4.07Å; L45-L100 HydrophobicContact CG-CD2 3.91Å; L45-L100 HydrophobicContact CG-CG 4.47Å; L45-L100 PolarHBondContact O-N 2.57Å; L45-E105 HydrophobicContact CD2-CB 3.97Å; L45-E105 HydrophobicContact CD2-CG 3.69Å; L45-E105 WeakPolarHBondContact CD2-OE2 3.49Å
46I92.6Very high90.4Very high0 Ų047.5 Ų47.50%024%0.237CC..EExtended strand (participates in β ladder)trans-114.2123.5-176.1-47.7-63.8000108.4L12 I15 N40 T66 L67 L97 G98 I99L12-I46 HydrophobicContact CD2-CD1 4.04Å; L12-I46 HydrophobicContact CD2-CG2 3.8Å; I15-I46 HydrophobicContact CD1-CG1 3.98Å; N40-I46 WeakPolarHBondContact ND2-CG1 3.47Å; I46-T66 CarbonylContact O-C 3.5Å; I46-T66 VanDerWaalsContact O-CA 3.26Å; I46-T66 WeakPolarHBondContact O-CA 3.15Å; I46-L67 HydrophobicContact CB-CB 4.21Å; I46-L67 PolarHBondContact N-O 2.86Å; I46-L67 PolarHBondContact O-N 2.8Å; I46-L97 HydrophobicContact CG2-CB 4.15Å; I46-L97 HydrophobicContact CG2-CD2 4.36Å; I46-G98 CarbonylContact C-O 3.51Å; I46-G98 WeakPolarHBondContact CA-O 3.19Å; I46-I99 HydrophobicContact CD1-CD1 3.27Å
47S93.1Very high89.9Confident0 Ų048.3 Ų48.30%024%0.241CC..EExtended strand (participates in β ladder)trans-85.9144.3168.1-164.90000109.5G65 L97 G98 W113S47-G65 WeakPolarHBondContact CA-O 3.49Å; S47-G65 PolarHBondContact OG-O 3.47Å; S47-L97 WeakPolarHBondContact O-CA 3.39Å; S47-G98 PolarHBondContact N-O 2.75Å; S47-G98 PolarHBondContact O-N 2.86Å; S47-W113 WeakPolarHBondContact O-CZ2 3.43Å; S47-W113 PolarHBondContact OG-NE1 2.71Å
48F94.1Very high89.6Confident0 Ų043.6 Ų43.60%022%0.223CC..EExtended strand (participates in β ladder)trans-131.5150.5174.772.9-84.5000112.4M38 I50 P62 Y64 G65 L67 V73 V75 V95 Y96 L97 W113M38-F48 HydrophobicContact CE-CB 4Å; M38-F48 HydrophobicContact CE-CD2 4.36Å; M38-F48 HydrophobicContact CE-CG 4.08Å; M38-F48 HydrophobicContact SD-CD2 4.22Å; M38-F48 HydrophobicContact SD-CE2 4.46Å; M38-F48 HydrophobicContact SD-CG 4.47Å; F48-I50 HydrophobicContact CD2-CD1 4.01Å; F48-I50 HydrophobicContact CD2-CG1 3.85Å; F48-I50 HydrophobicContact CE2-CD1 3.87Å; F48-I50 HydrophobicContact CE2-CG1 4.14Å; F48-P62 HydrophobicContact CE2-CG 4.28Å; F48-P62 HydrophobicContact CZ-CG 3.82Å; F48-Y64 WeakPolarHBondContact O-CA 3.46Å; F48-G65 WeakPolarHBondContact CD1-O 3.42Å; F48-G65 PolarHBondContact N-O 3.34Å; F48-G65 PolarHBondContact O-N 2.85Å; F48-L67 HydrophobicContact CB-CD1 4.42Å; F48-L67 HydrophobicContact CD1-CD1 3.07Å; F48-L67 HydrophobicContact CE1-CD1 3.35Å; F48-L67 HydrophobicContact CG-CD1 3.94Å; F48-L67 HydrophobicContact CZ-CD1 4.4Å; F48-V73 HydrophobicContact CE1-CG1 3.88Å; F48-V73 HydrophobicContact CZ-CG1 3.99Å; F48-V73 HydrophobicContact CZ-CG2 4.5Å; F48-V75 HydrophobicContact CE2-CG2 4.01Å; F48-V75 HydrophobicContact CZ-CG2 4.23Å; F48-V95 HydrophobicContact CB-CG1 4.44Å; F48-Y96 CarbonylContact C-O 3.57Å; F48-Y96 WeakPolarHBondContact CA-O 3.43Å; F48-L97 HydrophobicContact CB-CD2 3.77Å; F48-W113 PolarHBondContact O-NE1 3.24Å
49K93.8Very high89.4Confident33 Ų3344.4 Ų44.414%0.14323%0.232CC..EExtended strand (participates in β ladder)trans-136.6130.8176.1169.7-179.3-1711730109.2K51 S63 Y64 Y96 W113K49-K51 VanDerWaalsContact CE-CE 3.45Å; K49-S63 CarbonylContact C-O 3.45Å; K49-S63 WeakPolarHBondContact CA-O 3.26Å; K49-Y64 HydrophobicContact CB-CD1 3.99Å; K49-Y64 HydrophobicContact CB-CE1 4.15Å; K49-Y64 HydrophobicContact CD-CD1 4.25Å; K49-Y64 HydrophobicContact CD-CE1 3.58Å; K49-Y64 WeakPolarHBondContact CE-OH 3.43Å; K49-Y64 HydrophobicContact CG-CD1 3.85Å; K49-Y64 HydrophobicContact CG-CE1 3.51Å; K49-Y96 PolarHBondContact N-O 2.77Å; K49-Y96 PolarHBondContact O-N 3.2Å; K49-W113 HydrophobicContact CB-CD2 3.78Å; K49-W113 HydrophobicContact CB-CE3 4.33Å; K49-W113 HydrophobicContact CB-CG 4Å; K49-W113 HydrophobicContact CB-CZ2 4.11Å; K49-W113 HydrophobicContact CD-CB 4.24Å; K49-W113 HydrophobicContact CD-CD2 4.12Å; K49-W113 HydrophobicContact CD-CE3 4.19Å; K49-W113 HydrophobicContact CD-CG 4.15Å
50I93.1Very high89.1Confident7 Ų743.1 Ų43.14%0.03623%0.225CC..EExtended strand (participates in β ladder)trans-111.7129.8-179.1-50.8-177000108.5F36 F48 S60 S63 V75 L93 T94 V95F36-I50 HydrophobicContact CZ-CD1 4.03Å; F48-I50 HydrophobicContact CD2-CD1 4.01Å; F48-I50 HydrophobicContact CD2-CG1 3.85Å; F48-I50 HydrophobicContact CE2-CD1 3.87Å; F48-I50 HydrophobicContact CE2-CG1 4.14Å; I50-S60 WeakPolarHBondContact CG2-OG 3.49Å; I50-S63 PolarHBondContact N-O 3.02Å; I50-V75 HydrophobicContact CD1-CB 4.21Å; I50-V75 HydrophobicContact CD1-CG1 3.39Å; I50-V75 HydrophobicContact CD1-CG2 3.9Å; I50-L93 HydrophobicContact CG2-CD2 4.01Å; I50-T94 WeakPolarHBondContact CA-O 3.31Å; I50-V95 HydrophobicContact CD1-CG2 4.43Å; I50-V95 HydrophobicContact CG1-CG1 4.31Å; I50-V95 HydrophobicContact CG1-CG2 4.17Å; I50-V95 HydrophobicContact CG2-CG2 4.43Å
51K90.9Very high88.9Confident105 Ų10551 Ų5146%0.45726%0.259SS..EExtended strand (participates in β ladder)trans-121.4135172.1-70-169.5174.6-1740109.4K49 L93 T94 Y96K49-K51 VanDerWaalsContact CE-CE 3.45Å; K51-L93 CarbonylContact O-C 3.58Å; K51-L93 WeakPolarHBondContact O-CA 3.25Å; K51-T94 PolarHBondContact N-O 3.14Å; K51-T94 PolarHBondContact O-N 2.86Å; K51-Y96 HydrophobicContact CB-CE2 4.46Å; K51-Y96 HydrophobicContact CD-CE2 4.08Å; K51-Y96 HydrophobicContact CG-CE2 4.28Å
52S88.3Confident88.8Confident18 Ų1850.4 Ų50.413%0.12626%0.255CS..EExtended strand (participates in β ladder)trans-98.4150.3166.947.30000110.2L58S52-L58 WeakPolarHBondContact CB-O 3.39Å; S52-L58 PolarHBondContact OG-O 3Å
53T84.7Confident88.8Confident61 Ų6152.4 Ų52.437%0.37427%0.269SS..SBendtrans-65-41.2164.539.90000111.7D91 H92T53-D91 WeakPolarHBondContact CB-OD1 3.36Å; T53-D91 WeakPolarHBondContact OG1-CB 3.48Å; T53-D91 VanDerWaalsContact OG1-CG 3.27Å; T53-D91 PolarHBondContact OG1-OD1 3.06Å; T53-H92 VanDerWaalsContact CG2-CD2 3.45Å; T53-H92 WeakPolarHBondContact CG2-CD2 3.2Å; T53-H92 WeakPolarHBondContact CG2-CE1 3.48Å; T53-H92 WeakPolarHBondContact CG2-ND1 3.33Å; T53-H92 WeakPolarHBondContact CG2-NE2 3.48Å; T53-H92 PolarHBondContact N-O 2.85Å; T53-H92 PolarHBondContact OG1-N 3.29Å; T53-H92 PolarHBondContact OG1-O 2.93Å
54R81.2Confident88.8Confident53 Ų5350.4 Ų50.420%0.225%0.253CS..  trans-105.877-175.9-165175.2-68.4-105.1-4.5112.6K56 Q57 L58 D87 D91R54-K56 PolarHBondContact O-N 3.31Å; R54-K56 VanDerWaalsContact O-N 3.11Å; R54-Q57 HydrophobicContact CG-CB 4.09Å; R54-Q57 PolarHBondContact O-N 2.88Å; R54-L58 HydrophobicContact CB-CB 4.44Å; R54-L58 WeakPolarHBondContact O-CA 2.99Å; R54-L58 WeakPolarHBondContact O-CB 3.43Å; R54-L58 PolarHBondContact O-N 2.84Å; R54-D87 IonicContact CZ-OD1 2.69Å; R54-D87 IonicContact CZ-OD2 3.24Å; R54-D87 IonicContact NH1-OD1 3.86Å; R54-D87 PolarHBondContact NH1-OD1 2.77Å; R54-D87 IonicContact NH2-OD1 2.93Å; R54-D87 PolarHBondContact NH2-OD1 3.04Å; R54-D87 IonicContact NH2-OD2 2.88Å; R54-D87 PolarHBondContact NH2-OD2 2.78Å; R54-D91 WeakPolarHBondContact CD-OD2 3.21Å; R54-D91 IonicContact CZ-OD2 2.94Å; R54-D91 IonicContact NE-OD1 3.97Å; R54-D91 IonicContact NE-OD2 3.42Å; R54-D91 PolarHBondContact NE-OD2 3.1Å; R54-D91 IonicContact NH2-OD2 2.82Å
55L78.1Confident89Confident144 Ų14449.1 Ų49.175%0.75425%0.245SC*.THydrogen-bonded Turntrans-57.6-27.3-177.8-70.5163000114.7
56K79.1Confident89Confident192 Ų19250.7 Ų50.784%0.83526%0.256SS*.THydrogen-bonded Turntrans-76.4-31.6-178.2-67.3-175179-1800113.6R54R54-K56 PolarHBondContact O-N 3.31Å; R54-K56 VanDerWaalsContact O-N 3.11Å
57Q84.2Confident89Confident19 Ų1950.9 Ų50.99%0.08926%0.257CS..THydrogen-bonded Turntrans-119.4-16.6-175.1-67.5-170.2-10.100113.7R54 F79 Y80R54-Q57 HydrophobicContact CG-CB 4.09Å; R54-Q57 PolarHBondContact O-N 2.88Å; Q57-F79 HydrophobicContact CB-CD2 4.32Å; Q57-F79 HydrophobicContact CB-CE2 3.84Å; Q57-F79 HydrophobicContact CB-CZ 4.42Å; Q57-F79 CarbonylContact O-C 3.56Å; Q57-F79 VanDerWaalsContact O-CA 3.23Å; Q57-F79 WeakPolarHBondContact O-CA 3.29Å; Q57-F79 WeakPolarHBondContact O-CD2 3.38Å; Q57-Y80 WeakPolarHBondContact O-CD2 3.2Å; Q57-Y80 PolarHBondContact O-N 2.87Å
58L87.6Confident89Confident1 Ų157.1 Ų57.11%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-121.6101.7-178.5-166.471.4000110.2F24 S52 R54 V77 K78 F79 L93 V128F24-L58 HydrophobicContact CE2-CD1 4.06Å; S52-L58 WeakPolarHBondContact CB-O 3.39Å; S52-L58 PolarHBondContact OG-O 3Å; R54-L58 HydrophobicContact CB-CB 4.44Å; R54-L58 WeakPolarHBondContact O-CA 2.99Å; R54-L58 WeakPolarHBondContact O-CB 3.43Å; R54-L58 PolarHBondContact O-N 2.84Å; L58-V77 HydrophobicContact CD1-CG1 3.55Å; L58-V77 HydrophobicContact CG-CG1 4.25Å; L58-K78 WeakPolarHBondContact CA-O 3.38Å; L58-F79 HydrophobicContact CD1-CB 4.26Å; L58-F79 HydrophobicContact CD1-CD2 4.04Å; L58-L93 HydrophobicContact CD2-CD1 4.17Å; L58-L93 HydrophobicContact CD2-CD2 3.77Å; L58-L93 HydrophobicContact CD2-CG 3.74Å; L58-L93 HydrophobicContact CG-CD2 4.23Å; L58-V128 HydrophobicContact CD1-CG1 4.44Å; L58-V128 HydrophobicContact CD2-CB 4.46Å; L58-V128 HydrophobicContact CD2-CG1 4.37Å; L58-V128 HydrophobicContact CD2-CG2 3.96Å
59G89.2Confident88.9Confident18 Ų1859.4 Ų59.419%0.18630%0.299CS..EExtended strand (participates in β ladder)trans-99.3154174.100000112.1V77 K78G59-V77 CarbonylContact O-C 3.43Å; G59-V77 WeakPolarHBondContact O-CA 3.16Å; G59-K78 PolarHBondContact N-O 3.42Å; G59-K78 PolarHBondContact O-N 2.78Å
60S89.6Confident88.8Confident14 Ų1463 Ų6310%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-131.1136.9170.157.40000110.3I50 S63 T76I50-S60 WeakPolarHBondContact CG2-OG 3.49Å; S60-S63 PolarHBondContact O-N 2.71Å; S60-S63 PolarHBondContact O-OG 3.05Å; S60-T76 CarbonylContact C-O 3.56Å; S60-T76 WeakPolarHBondContact CA-O 3.49Å
61K90.3Very high88.9Confident166 Ų16670.4 Ų70.472%0.72234%0.342SS*.EExtended strand (participates in β ladder)trans-131.2120.8178.8-168.1170.8-178.1172.50110.1T76K61-T76 PolarHBondContact N-O 2.85Å; K61-T76 PolarHBondContact O-N 3.31Å
62P91.9Very high89Confident46 Ų4666.7 Ų66.730%0.29933%0.334SS..SBendcis-75.2144.1-7.334.1-36.3000111.6F48 Y64F48-P62 HydrophobicContact CE2-CG 4.28Å; F48-P62 HydrophobicContact CZ-CG 3.82Å; P62-Y64 VanDerWaalsContact C-N 3.3Å; P62-Y64 WeakPolarHBondContact CB-O 3.42Å
63S90.3Very high89.3Confident48 Ų4867.6 Ų67.634%0.33634%0.338SS..SBendtrans-78.1-19.3173.5-28.60000112.4K49 I50 S60K49-S63 CarbonylContact C-O 3.45Å; K49-S63 WeakPolarHBondContact CA-O 3.26Å; I50-S63 PolarHBondContact N-O 3.02Å; S60-S63 PolarHBondContact O-N 2.71Å; S60-S63 PolarHBondContact O-OG 3.05Å
64Y92.6Very high89.7Confident81 Ų8170.9 Ų70.932%0.31835%0.345SS..EExtended strand (participates in β ladder)trans-136.6136.3175.2-57.5-95.3000108.7F48 K49 P62 W113F48-Y64 WeakPolarHBondContact O-CA 3.46Å; K49-Y64 HydrophobicContact CB-CD1 3.99Å; K49-Y64 HydrophobicContact CB-CE1 4.15Å; K49-Y64 HydrophobicContact CD-CD1 4.25Å; K49-Y64 HydrophobicContact CD-CE1 3.58Å; K49-Y64 WeakPolarHBondContact CE-OH 3.43Å; K49-Y64 HydrophobicContact CG-CD1 3.85Å; K49-Y64 HydrophobicContact CG-CE1 3.51Å; P62-Y64 VanDerWaalsContact C-N 3.3Å; P62-Y64 WeakPolarHBondContact CB-O 3.42Å; Y64-W113 HydrophobicContact CD1-CB 4.3Å; Y64-W113 AromaticContact CD1-CD1 3.94Å; Y64-W113 HydrophobicContact CD1-CG 4.31Å; Y64-W113 HydrophobicContact CE1-CB 4.23Å
65G92.3Very high90.4Very high9 Ų968.4 Ų68.49%0.09334%0.335CS..EExtended strand (participates in β ladder)trans-166.1-175.517800000112.5S47 F48S47-G65 WeakPolarHBondContact CA-O 3.49Å; S47-G65 PolarHBondContact OG-O 3.47Å; F48-G65 WeakPolarHBondContact CD1-O 3.42Å; F48-G65 PolarHBondContact N-O 3.34Å; F48-G65 PolarHBondContact O-N 2.85Å
66T92Very high91.1Very high50 Ų5064 Ų6431%0.30732%0.315SS..EExtended strand (participates in β ladder)trans-130.6128.6177.246.90000109.8I46 L100 P109I46-T66 CarbonylContact O-C 3.5Å; I46-T66 VanDerWaalsContact O-CA 3.26Å; I46-T66 WeakPolarHBondContact O-CA 3.15Å; T66-L100 HydrophobicContact CG2-CD2 3.49Å; T66-L100 VanDerWaalsContact CG2-CD2 3.49Å; T66-P109 HydrophobicContact CG2-CB 4.35Å; T66-P109 HydrophobicContact CG2-CG 3.8Å
67L92.2Very high91.8Very high3 Ų354.9 Ų54.92%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-88.8110.8169.3-83.370.7000108.7I15 M38 N40 I46 F48 V73I15-L67 HydrophobicContact CG2-CD2 4.13Å; M38-L67 HydrophobicContact CB-CD1 4.48Å; M38-L67 HydrophobicContact CB-CD2 3.81Å; M38-L67 HydrophobicContact CE-CD1 3.96Å; M38-L67 HydrophobicContact CE-CD2 4.3Å; N40-L67 HydrophobicContact CB-CB 3.86Å; N40-L67 HydrophobicContact CB-CD2 3.84Å; N40-L67 HydrophobicContact CB-CG 4.41Å; N40-L67 PolarHBondContact ND2-O 3.25Å; I46-L67 HydrophobicContact CB-CB 4.21Å; I46-L67 PolarHBondContact N-O 2.86Å; I46-L67 PolarHBondContact O-N 2.8Å; F48-L67 HydrophobicContact CB-CD1 4.42Å; F48-L67 HydrophobicContact CD1-CD1 3.07Å; F48-L67 HydrophobicContact CE1-CD1 3.35Å; F48-L67 HydrophobicContact CG-CD1 3.94Å; F48-L67 HydrophobicContact CZ-CD1 4.4Å; L67-V73 HydrophobicContact CD1-CG1 3.47Å; L67-V73 VanDerWaalsContact CD1-CG1 3.47Å; L67-V73 HydrophobicContact CG-CG1 3.83Å
68K92.6Very high92.1Very high132 Ų13256.8 Ų56.857%0.57428%0.283SS*.  trans-62.7153.5171.1-68.8-172.3177.8-173.50111.4N40 L45 R71N40-K68 PolarHBondContact ND2-O 3.2Å; L45-K68 HydrophobicContact CD1-CB 4.46Å; L45-K68 HydrophobicContact CD1-CG 4.08Å; K68-R71 HydrophobicContact CB-CB 4.01Å; K68-R71 HydrophobicContact CB-CG 3.97Å; K68-R71 WeakPolarHBondContact O-CB 3.11Å; K68-R71 PolarHBondContact O-N 3.33Å
69P93Very high92.3Very high48 Ų4856.8 Ų56.831%0.31228%0.283SS..THydrogen-bonded Turntrans-52139.2171.3-29.137000112.4T42 D43 R71T42-P69 WeakPolarHBondContact O-CA 3.2Å; D43-P69 WeakPolarHBondContact O-CG 3.13Å; P69-R71 WeakPolarHBondContact O-CG 3.41Å; P69-R71 PolarHBondContact O-N 3Å; P69-R71 VanDerWaalsContact O-N 3.07Å
70K92.4Very high92.4Very high107 Ų10760.5 Ų60.547%0.46529%0.292SS..THydrogen-bonded Turntrans50.333.7179.1-46.4-63176-1760113.6N40 P41 T42 D43N40-K70 WeakPolarHBondContact O-CA 3.26Å; N40-K70 PolarHBondContact O-N 3.12Å; P41-K70 WeakPolarHBondContact O-CD 3.43Å; P41-K70 WeakPolarHBondContact O-CE 3.43Å; P41-K70 PolarHBondContact O-NZ 3.32Å; T42-K70 PolarHBondContact O-N 2.87Å; T42-K70 VanDerWaalsContact O-N 3.14Å; D43-K70 WeakPolarHBondContact OD1-CE 3.45Å; D43-K70 IonicContact OD1-NZ 2.88Å; D43-K70 PolarHBondContact OD1-NZ 3.07Å; D43-K70 VanDerWaalsContact OD2-CE 3.31Å; D43-K70 WeakPolarHBondContact OD2-CE 3.45Å; D43-K70 IonicContact OD2-NZ 3.23Å; D43-K70 PolarHBondContact OD2-NZ 2.89Å
71R94.1Very high92.4Very high163 Ų16364.4 Ų64.462%0.61531%0.307SS*.EExtended strand (participates in β ladder)trans-133.7156.9-179.5-68.4-70.6-172.9-912.1110N40 K68 P69N40-R71 PolarHBondContact N-O 2.61Å; N40-R71 PolarHBondContact O-N 3.34Å; K68-R71 HydrophobicContact CB-CB 4.01Å; K68-R71 HydrophobicContact CB-CG 3.97Å; K68-R71 WeakPolarHBondContact O-CB 3.11Å; K68-R71 PolarHBondContact O-N 3.33Å; P69-R71 WeakPolarHBondContact O-CG 3.41Å; P69-R71 PolarHBondContact O-N 3Å; P69-R71 VanDerWaalsContact O-N 3.07Å
72G93.1Very high92.2Very high28 Ų2856.5 Ų56.529%0.28927%0.273SS..EExtended strand (participates in β ladder)trans-118.8154.7169.500000111M38M38-G72 CarbonylContact O-C 3.6Å; M38-G72 WeakPolarHBondContact O-CA 3.32Å
73V94.3Very high91.8Very high36 Ų3659.8 Ų59.822%0.21829%0.292CS..EExtended strand (participates in β ladder)trans-119.9141.4173.868.50000108.9R37 M38 F48 L67 V75R37-V73 WeakPolarHBondContact CA-O 3.45Å; M38-V73 HydrophobicContact CB-CG1 4.12Å; M38-V73 PolarHBondContact N-O 3.11Å; M38-V73 PolarHBondContact O-N 3.39Å; F48-V73 HydrophobicContact CE1-CG1 3.88Å; F48-V73 HydrophobicContact CZ-CG1 3.99Å; F48-V73 HydrophobicContact CZ-CG2 4.5Å; L67-V73 HydrophobicContact CD1-CG1 3.47Å; L67-V73 VanDerWaalsContact CD1-CG1 3.47Å; L67-V73 HydrophobicContact CG-CG1 3.83Å; V73-V75 HydrophobicContact CG1-CG2 4.4Å
74Y94.7Very high91.2Very high131 Ų13159.1 Ų59.151%0.51429%0.293SS..EExtended strand (participates in β ladder)trans-90.8130.9169.1-72.1-86000109K35 R37K35-Y74 HydrophobicContact CD-CD1 4.48Å; R37-Y74 HydrophobicContact CB-CD1 3.99Å; R37-Y74 HydrophobicContact CB-CE1 3.83Å; R37-Y74 HydrophobicContact CG-CD1 4.27Å; R37-Y74 HydrophobicContact CG-CE1 4.04Å; R37-Y74 HydrophobicContact CG-CE2 4.4Å
75V94.1Very high90.5Very high0 Ų064.5 Ų64.50%032%0.321CS..EExtended strand (participates in β ladder)trans-112.8122.7172.4179.10000107.2K35 F36 M38 F48 I50 V73K35-V75 VanDerWaalsContact CA-O 3.25Å; K35-V75 WeakPolarHBondContact CA-O 3.44Å; F36-V75 HydrophobicContact CD1-CB 3.86Å; F36-V75 HydrophobicContact CD1-CG1 4.22Å; F36-V75 HydrophobicContact CE1-CB 3.43Å; F36-V75 VanDerWaalsContact CE1-CB 3.43Å; F36-V75 HydrophobicContact CE1-CG1 3.45Å; F36-V75 VanDerWaalsContact CE1-CG1 3.45Å; F36-V75 HydrophobicContact CE1-CG2 4.25Å; F36-V75 HydrophobicContact CE2-CB 4.43Å; F36-V75 HydrophobicContact CE2-CG2 4.5Å; F36-V75 HydrophobicContact CZ-CB 3.75Å; F36-V75 HydrophobicContact CZ-CG1 3.91Å; F36-V75 HydrophobicContact CZ-CG2 4.04Å; F36-V75 PolarHBondContact N-O 3.06Å; F36-V75 PolarHBondContact O-N 2.71Å; M38-V75 HydrophobicContact SD-CG2 3.94Å; F48-V75 HydrophobicContact CE2-CG2 4.01Å; F48-V75 HydrophobicContact CZ-CG2 4.23Å; I50-V75 HydrophobicContact CD1-CB 4.21Å; I50-V75 HydrophobicContact CD1-CG1 3.39Å; I50-V75 HydrophobicContact CD1-CG2 3.9Å; V73-V75 HydrophobicContact CG1-CG2 4.4Å
76T93.8Very high89.9Confident53 Ų5365.5 Ų65.533%0.32532%0.323SS..EExtended strand (participates in β ladder)trans-89.3124.6173.7-54.40000108.9L33 D34 S60 K61L33-T76 HydrophobicContact CB-CG2 4.48Å; L33-T76 HydrophobicContact CD2-CG2 3.79Å; D34-T76 CarbonylContact O-C 3.48Å; D34-T76 WeakPolarHBondContact O-CA 3.42Å; S60-T76 CarbonylContact C-O 3.56Å; S60-T76 WeakPolarHBondContact CA-O 3.49Å; K61-T76 PolarHBondContact N-O 2.85Å; K61-T76 PolarHBondContact O-N 3.31Å
77V92.7Very high89.3Confident0 Ų067.1 Ų67.10%033%0.33CS..EExtended strand (participates in β ladder)trans-99.6124.3170.5178.90000107.4F22 F24 L33 D34 F36 L58 G59 L93F22-V77 HydrophobicContact CE1-CG2 4.42Å; F22-V77 HydrophobicContact CE2-CB 4.5Å; F22-V77 HydrophobicContact CE2-CG2 3.78Å; F22-V77 HydrophobicContact CZ-CB 4.33Å; F22-V77 HydrophobicContact CZ-CG2 3.76Å; F24-V77 HydrophobicContact CE2-CG1 3.93Å; F24-V77 HydrophobicContact CZ-CB 4.26Å; F24-V77 HydrophobicContact CZ-CG1 3.79Å; L33-V77 WeakPolarHBondContact CA-O 3.4Å; D34-V77 PolarHBondContact N-O 3.35Å; D34-V77 PolarHBondContact O-N 2.96Å; D34-V77 VanDerWaalsContact O-O 3.05Å; F36-V77 HydrophobicContact CD1-CG2 4.02Å; F36-V77 HydrophobicContact CE1-CG2 3.86Å; L58-V77 HydrophobicContact CD1-CG1 3.55Å; L58-V77 HydrophobicContact CG-CG1 4.25Å; G59-V77 CarbonylContact O-C 3.43Å; G59-V77 WeakPolarHBondContact O-CA 3.16Å; V77-L93 HydrophobicContact CB-CD1 4.28Å; V77-L93 HydrophobicContact CG1-CD1 3.66Å; V77-L93 HydrophobicContact CG2-CD1 3.57Å
78K91.6Very high88.6Confident58 Ų5868.8 Ų68.825%0.25235%0.347SS..EExtended strand (participates in β ladder)trans-111.4117.5178.2-175.8173.7-178.5179.90108.6D31 R32 L33 L58 G59 Y80D31-K78 HydrophobicContact CB-CG 4.49Å; D31-K78 WeakPolarHBondContact OD2-CE 3.49Å; D31-K78 IonicContact OD2-NZ 3.74Å; D31-K78 PolarHBondContact OD2-NZ 2.85Å; R32-K78 CarbonylContact O-C 3.53Å; R32-K78 WeakPolarHBondContact O-CA 3.4Å; L33-K78 HydrophobicContact CD2-CB 4.06Å; L33-K78 HydrophobicContact CD2-CD 4.1Å; L33-K78 HydrophobicContact CD2-CG 3.99Å; L33-K78 HydrophobicContact CG-CG 4.18Å; L58-K78 WeakPolarHBondContact CA-O 3.38Å; G59-K78 PolarHBondContact N-O 3.42Å; G59-K78 PolarHBondContact O-N 2.78Å; K78-Y80 HydrophobicContact CD-CD1 4.17Å; K78-Y80 HydrophobicContact CD-CE1 3.74Å; K78-Y80 HydrophobicContact CD-CE2 4.47Å; K78-Y80 HydrophobicContact CG-CE1 4.41Å; K78-Y80 HydrophobicContact CG-CE2 4.46Å
79F91.8Very high88.2Confident1 Ų167.3 Ų67.30%0.00435%0.346CS..EExtended strand (participates in β ladder)trans-93.5109.5165.7-172.7-106.3000108.4F24 P26 D31 R32 Q57 L58 L82 F86 Y130F24-F79 HydrophobicContact CB-CB 4.26Å; F24-F79 HydrophobicContact CB-CD1 4.18Å; F24-F79 HydrophobicContact CB-CG 4.19Å; F24-F79 HydrophobicContact CD1-CB 3.9Å; F24-F79 HydrophobicContact CD2-CB 4.01Å; F24-F79 HydrophobicContact CD2-CG 4.43Å; F24-F79 HydrophobicContact CE1-CB 4.19Å; F24-F79 HydrophobicContact CE2-CB 4.31Å; F24-F79 HydrophobicContact CG-CB 3.79Å; F24-F79 HydrophobicContact CG-CG 4.21Å; F24-F79 HydrophobicContact CZ-CB 4.4Å; P26-F79 HydrophobicContact CB-CE1 4.05Å; D31-F79 CarbonylContact C-O 3.57Å; D31-F79 WeakPolarHBondContact CA-O 3.26Å; R32-F79 HydrophobicContact CB-CB 4.37Å; R32-F79 PolarHBondContact N-O 3.23Å; R32-F79 PolarHBondContact O-N 3.18Å; Q57-F79 HydrophobicContact CB-CD2 4.32Å; Q57-F79 HydrophobicContact CB-CE2 3.84Å; Q57-F79 HydrophobicContact CB-CZ 4.42Å; Q57-F79 CarbonylContact O-C 3.56Å; Q57-F79 VanDerWaalsContact O-CA 3.23Å; Q57-F79 WeakPolarHBondContact O-CA 3.29Å; Q57-F79 WeakPolarHBondContact O-CD2 3.38Å; L58-F79 HydrophobicContact CD1-CB 4.26Å; L58-F79 HydrophobicContact CD1-CD2 4.04Å; F79-L82 HydrophobicContact CE1-CD2 4.18Å; F79-L82 HydrophobicContact CZ-CD2 4Å; F79-F86 HydrophobicContact CE2-CE2 4.4Å; F79-F86 AromaticContact CZ-CE2 3.83Å; F79-F86 HydrophobicContact CZ-CE2 3.83Å; F79-F86 HydrophobicContact CZ-CZ 4.13Å; F79-Y130 AromaticContact CD2-CE1 3.7Å; F79-Y130 HydrophobicContact CD2-CE1 3.7Å; F79-Y130 HydrophobicContact CE1-CE1 4.3Å; F79-Y130 HydrophobicContact CE2-CD1 4.23Å; F79-Y130 AromaticContact CE2-CE1 3.31Å; F79-Y130 HydrophobicContact CE2-CE1 3.31Å; F79-Y130 AromaticContact CE2-CZ 3.77Å; F79-Y130 HydrophobicContact CG-CE1 4.32Å; F79-Y130 HydrophobicContact CZ-CD1 4.13Å; F79-Y130 AromaticContact CZ-CE1 3.65Å; F79-Y130 HydrophobicContact CZ-CE1 3.65Å
80Y90.1Very high87.7Confident97 Ų9768.9 Ų68.938%0.3836%0.363SS..PPolyproline II helixtrans-69.2151.1-179.6-66.1-88.2000110.8D31 Q57 K78D31-Y80 VanDerWaalsContact OD1-CA 3.32Å; D31-Y80 WeakPolarHBondContact OD1-CA 3.04Å; Q57-Y80 WeakPolarHBondContact O-CD2 3.2Å; Q57-Y80 PolarHBondContact O-N 2.87Å; K78-Y80 HydrophobicContact CD-CD1 4.17Å; K78-Y80 HydrophobicContact CD-CE1 3.74Å; K78-Y80 HydrophobicContact CD-CE2 4.47Å; K78-Y80 HydrophobicContact CG-CE1 4.41Å; K78-Y80 HydrophobicContact CG-CE2 4.46Å
81K89.7Confident87.5Confident95 Ų9564.5 Ų64.541%0.41335%0.345SS..PPolyproline II helixtrans-55.7147.6171.968.5-177.1-176.4170.40111.1S27 E30 D31S27-K81 CarbonylContact O-C 3.52Å; S27-K81 WeakPolarHBondContact O-CA 3Å; S27-K81 WeakPolarHBondContact O-CB 3.12Å; E30-K81 WeakPolarHBondContact O-CB 3.2Å; D31-K81 PolarHBondContact OD1-N 2.89Å
82L86.9Confident87.3Confident1 Ų160.5 Ų60.51%0.00533%0.333CS..PPolyproline II helixtrans-69.7133.5178.2-58-177.6000109.5P26 S27 Y28 F79 F86 I134P26-L82 HydrophobicContact CB-CD1 3.69Å; P26-L82 HydrophobicContact CB-CD2 4.32Å; P26-L82 HydrophobicContact CB-CG 4.13Å; S27-L82 PolarHBondContact O-N 2.79Å; Y28-L82 HydrophobicContact CD1-CB 3.44Å; Y28-L82 VanDerWaalsContact CD1-CB 3.44Å; Y28-L82 HydrophobicContact CD1-CD1 4.48Å; Y28-L82 VanDerWaalsContact CD1-O 3.31Å; Y28-L82 WeakPolarHBondContact CD1-O 3.22Å; Y28-L82 HydrophobicContact CE1-CB 3.43Å; Y28-L82 VanDerWaalsContact CE1-CB 3.43Å; Y28-L82 HydrophobicContact CE1-CD1 4.05Å; Y28-L82 HydrophobicContact CE1-CG 4.43Å; Y28-L82 HydrophobicContact CE2-CD1 4.16Å; Y28-L82 HydrophobicContact CG-CB 4.11Å; F79-L82 HydrophobicContact CE1-CD2 4.18Å; F79-L82 HydrophobicContact CZ-CD2 4Å; L82-F86 HydrophobicContact CD1-CB 3.69Å; L82-F86 HydrophobicContact CD1-CD1 4.3Å; L82-F86 HydrophobicContact CD1-CG 3.97Å; L82-F86 HydrophobicContact CD2-CB 3.88Å; L82-F86 HydrophobicContact CD2-CD2 3.57Å; L82-F86 HydrophobicContact CD2-CE2 4.25Å; L82-F86 HydrophobicContact CD2-CG 3.74Å; L82-F86 HydrophobicContact CG-CB 4.39Å; L82-I134 HydrophobicContact CD1-CD1 4.24Å; L82-I134 HydrophobicContact CD1-CG2 3.54Å
83T82.7Confident87.2Confident115 Ų11559.2 Ų59.271%0.70632%0.319SS*.SBendtrans-113.46175.860.90000112.4
84G79.5Confident87.1Confident34 Ų3458.1 Ų58.135%0.35131%0.313SS..SBendtrans179.9-159.3-175.300000110.5
85E76.1Confident87.1Confident194 Ų19451.9 Ų51.991%0.90729%0.288SS*.  trans-58.2136.6-177.9-63-176.510900112.2
86F80.8Confident87.1Confident30 Ų3054.7 Ų54.713%0.13230%0.299CS..  trans-124.4118.3179.2-178.3-111.6000109.4P26 F79 L82 G88 Y130 I134P26-F86 HydrophobicContact CB-CD1 4.12Å; P26-F86 HydrophobicContact CB-CE1 3.97Å; P26-F86 HydrophobicContact CB-CZ 4.5Å; P26-F86 HydrophobicContact CG-CD1 3.97Å; P26-F86 HydrophobicContact CG-CE1 3.38Å; P26-F86 HydrophobicContact CG-CZ 3.97Å; F79-F86 HydrophobicContact CE2-CE2 4.4Å; F79-F86 AromaticContact CZ-CE2 3.83Å; F79-F86 HydrophobicContact CZ-CE2 3.83Å; F79-F86 HydrophobicContact CZ-CZ 4.13Å; L82-F86 HydrophobicContact CD1-CB 3.69Å; L82-F86 HydrophobicContact CD1-CD1 4.3Å; L82-F86 HydrophobicContact CD1-CG 3.97Å; L82-F86 HydrophobicContact CD2-CB 3.88Å; L82-F86 HydrophobicContact CD2-CD2 3.57Å; L82-F86 HydrophobicContact CD2-CE2 4.25Å; L82-F86 HydrophobicContact CD2-CG 3.74Å; L82-F86 HydrophobicContact CG-CB 4.39Å; F86-G88 VanDerWaalsContact C-N 3.35Å; F86-Y130 HydrophobicContact CE1-CG 4.12Å; F86-Y130 AromaticContact CZ-CD1 3.77Å; F86-Y130 HydrophobicContact CZ-CD1 3.77Å; F86-Y130 AromaticContact CZ-CD2 3.69Å; F86-Y130 HydrophobicContact CZ-CD2 3.69Å; F86-Y130 HydrophobicContact CZ-CE1 4.17Å; F86-Y130 HydrophobicContact CZ-CE2 4.08Å; F86-Y130 AromaticContact CZ-CG 3.51Å; F86-Y130 HydrophobicContact CZ-CG 3.51Å; F86-I134 HydrophobicContact CB-CD1 4.34Å; F86-I134 HydrophobicContact CD1-CD1 4.06Å; F86-I134 HydrophobicContact CD1-CG1 4.48Å
87D79.8Confident87.1Confident83 Ų8352.1 Ų52.144%0.44428%0.284SS..  trans-80-13.9-176.252.7-58.6000113.5R54 N89R54-D87 IonicContact CZ-OD1 2.69Å; R54-D87 IonicContact CZ-OD2 3.24Å; R54-D87 IonicContact NH1-OD1 3.86Å; R54-D87 PolarHBondContact NH1-OD1 2.77Å; R54-D87 IonicContact NH2-OD1 2.93Å; R54-D87 PolarHBondContact NH2-OD1 3.04Å; R54-D87 IonicContact NH2-OD2 2.88Å; R54-D87 PolarHBondContact NH2-OD2 2.78Å; D87-N89 PolarHBondContact O-N 3.21Å; D87-N89 VanDerWaalsContact O-N 3.09Å; D87-N89 VanDerWaalsContact OD2-CB 3.3Å; D87-N89 WeakPolarHBondContact OD2-CB 2.9Å; D87-N89 VanDerWaalsContact OD2-CG 3.3Å; D87-N89 PolarHBondContact OD2-ND2 3.46Å
88G77.4Confident87.1Confident38 Ų3852.1 Ų52.139%0.39228%0.284SS..  trans68.15.5177.500000115.4F86F86-G88 VanDerWaalsContact C-N 3.35Å
89N84.2Confident87Confident102 Ų10250.4 Ų50.455%0.54528%0.277SS..  trans-63.1140.6-179.7-73.7-43.3000111.1D87 D91 Y130D87-N89 PolarHBondContact O-N 3.21Å; D87-N89 VanDerWaalsContact O-N 3.09Å; D87-N89 VanDerWaalsContact OD2-CB 3.3Å; D87-N89 WeakPolarHBondContact OD2-CB 2.9Å; D87-N89 VanDerWaalsContact OD2-CG 3.3Å; D87-N89 PolarHBondContact OD2-ND2 3.46Å; N89-D91 PolarHBondContact O-N 2.79Å; N89-Y130 WeakPolarHBondContact O-CD2 3.45Å; N89-Y130 WeakPolarHBondContact O-CE2 3.33Å
90A82.6Confident86.9Confident81 Ų8150.6 Ų50.667%0.66928%0.278SS*.  trans-60130.9174.500000110.4
91D87.6Confident86.7Confident15 Ų1548.7 Ų48.78%0.0828%0.278CS..EExtended strand (participates in β ladder)trans-109.6169.5180-87.8-54.1000110.3T53 R54 N89 V128 Y130T53-D91 WeakPolarHBondContact CB-OD1 3.36Å; T53-D91 WeakPolarHBondContact OG1-CB 3.48Å; T53-D91 VanDerWaalsContact OG1-CG 3.27Å; T53-D91 PolarHBondContact OG1-OD1 3.06Å; R54-D91 WeakPolarHBondContact CD-OD2 3.21Å; R54-D91 IonicContact CZ-OD2 2.94Å; R54-D91 IonicContact NE-OD1 3.97Å; R54-D91 IonicContact NE-OD2 3.42Å; R54-D91 PolarHBondContact NE-OD2 3.1Å; R54-D91 IonicContact NH2-OD2 2.82Å; N89-D91 PolarHBondContact O-N 2.79Å; D91-V128 HydrophobicContact CB-CB 4.14Å; D91-V128 PolarHBondContact N-O 3.24Å; D91-V128 WeakPolarHBondContact O-CA 3.35Å; D91-V128 PolarHBondContact O-N 3.08Å; D91-Y130 HydrophobicContact CB-CE2 3.94Å; D91-Y130 WeakPolarHBondContact CB-OH 3.42Å; D91-Y130 WeakPolarHBondContact OD2-CE2 3.31Å; D91-Y130 PolarHBondContact OD2-OH 2.93Å; D91-Y130 VanDerWaalsContact OD2-OH 3.05Å
92H89.1Confident86.4Confident79 Ų7953.2 Ų53.237%0.36630%0.297SS..EExtended strand (participates in β ladder)trans-139.5142.2175.254.6-96.1000113.3T53 V125 I126T53-H92 VanDerWaalsContact CG2-CD2 3.45Å; T53-H92 WeakPolarHBondContact CG2-CD2 3.2Å; T53-H92 WeakPolarHBondContact CG2-CE1 3.48Å; T53-H92 WeakPolarHBondContact CG2-ND1 3.33Å; T53-H92 WeakPolarHBondContact CG2-NE2 3.48Å; T53-H92 PolarHBondContact N-O 2.85Å; T53-H92 PolarHBondContact OG1-N 3.29Å; T53-H92 PolarHBondContact OG1-O 2.93Å; H92-V125 HydrophobicContact CB-CG1 3.73Å; H92-I126 WeakPolarHBondContact CA-O 3.34Å
93L91.1Very high86.2Confident0 Ų060.4 Ų60.40%034%0.336CS..EExtended strand (participates in β ladder)trans-99.8114.6168.2-74.5166.3000108.7F22 I50 K51 L58 V77 I126 V128F22-L93 HydrophobicContact CD2-CD1 4.05Å; F22-L93 HydrophobicContact CE2-CD1 4.04Å; I50-L93 HydrophobicContact CG2-CD2 4.01Å; K51-L93 CarbonylContact O-C 3.58Å; K51-L93 WeakPolarHBondContact O-CA 3.25Å; L58-L93 HydrophobicContact CD2-CD1 4.17Å; L58-L93 HydrophobicContact CD2-CD2 3.77Å; L58-L93 HydrophobicContact CD2-CG 3.74Å; L58-L93 HydrophobicContact CG-CD2 4.23Å; V77-L93 HydrophobicContact CB-CD1 4.28Å; V77-L93 HydrophobicContact CG1-CD1 3.66Å; V77-L93 HydrophobicContact CG2-CD1 3.57Å; L93-I126 HydrophobicContact CB-CB 4.15Å; L93-I126 PolarHBondContact N-O 2.79Å; L93-I126 PolarHBondContact O-N 2.77Å; L93-V128 HydrophobicContact CD1-CG2 4.04Å; L93-V128 HydrophobicContact CG-CG2 4.06Å
94T93.2Very high86.2Confident13 Ų1359.1 Ų59.18%0.0832%0.32CS..EExtended strand (participates in β ladder)trans-95.7115.4175.4-52.60000110I50 K51 Y96 R123 V124I50-T94 WeakPolarHBondContact CA-O 3.31Å; K51-T94 PolarHBondContact N-O 3.14Å; K51-T94 PolarHBondContact O-N 2.86Å; T94-Y96 HydrophobicContact CG2-CD2 3.93Å; T94-Y96 HydrophobicContact CG2-CE1 4.32Å; T94-Y96 HydrophobicContact CG2-CE2 3.3Å; T94-R123 HydrophobicContact CG2-CG 3.27Å; T94-V124 CarbonylContact C-O 3.14Å; T94-V124 WeakPolarHBondContact CA-O 3.32Å
95V93.8Very high86.3Confident0 Ų062.8 Ų62.80%033%0.328CS..EExtended strand (participates in β ladder)trans-96.1114.4172.2-172.60000108.9F17 F36 M38 F48 I50 L97 V124 I126F17-V95 HydrophobicContact CE1-CB 4.16Å; F17-V95 HydrophobicContact CE1-CG1 4.07Å; F17-V95 HydrophobicContact CE1-CG2 4.16Å; F17-V95 HydrophobicContact CZ-CB 4.46Å; F17-V95 HydrophobicContact CZ-CG1 4.26Å; F36-V95 HydrophobicContact CE2-CG2 4.42Å; F36-V95 HydrophobicContact CZ-CG2 4.1Å; M38-V95 HydrophobicContact CE-CG1 3.64Å; M38-V95 HydrophobicContact SD-CG1 4.04Å; F48-V95 HydrophobicContact CB-CG1 4.44Å; I50-V95 HydrophobicContact CD1-CG2 4.43Å; I50-V95 HydrophobicContact CG1-CG1 4.31Å; I50-V95 HydrophobicContact CG1-CG2 4.17Å; I50-V95 HydrophobicContact CG2-CG2 4.43Å; V95-L97 HydrophobicContact CG1-CD2 3.92Å; V95-L97 HydrophobicContact CG1-CG 4.4Å; V95-V124 HydrophobicContact CB-CB 4.4Å; V95-V124 PolarHBondContact N-O 3.15Å; V95-V124 PolarHBondContact O-N 3.24Å; V95-I126 HydrophobicContact CG2-CD1 3.87Å
96Y94Very high86.6Confident59 Ų5961.3 Ų61.323%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-91.6127.1170.5-64.1-94.9000108.3F48 K49 K51 T94 R122 R123F48-Y96 CarbonylContact C-O 3.57Å; F48-Y96 WeakPolarHBondContact CA-O 3.43Å; K49-Y96 PolarHBondContact N-O 2.77Å; K49-Y96 PolarHBondContact O-N 3.2Å; K51-Y96 HydrophobicContact CB-CE2 4.46Å; K51-Y96 HydrophobicContact CD-CE2 4.08Å; K51-Y96 HydrophobicContact CG-CE2 4.28Å; T94-Y96 HydrophobicContact CG2-CD2 3.93Å; T94-Y96 HydrophobicContact CG2-CE1 4.32Å; T94-Y96 HydrophobicContact CG2-CE2 3.3Å; Y96-R122 CarbonylContact C-O 3.53Å; Y96-R122 WeakPolarHBondContact CA-O 3.35Å; Y96-R123 HydrophobicContact CD1-CG 4.46Å; Y96-R123 HydrophobicContact CE1-CG 4.09Å
97L94.1Very high86.8Confident0 Ų061.6 Ų61.60%033%0.329CS..EExtended strand (participates in β ladder)trans-113.6143.3174.5-54171.8000108.5L12 I15 F17 M38 I46 S47 F48 V95 T121 R122 V124L12-L97 HydrophobicContact CD2-CB 3.76Å; I15-L97 HydrophobicContact CB-CD1 3.86Å; I15-L97 HydrophobicContact CG1-CD1 4.08Å; I15-L97 HydrophobicContact CG2-CD1 3.94Å; F17-L97 HydrophobicContact CE2-CD1 4.21Å; F17-L97 HydrophobicContact CZ-CD1 3.97Å; F17-L97 HydrophobicContact CZ-CD2 4.46Å; M38-L97 HydrophobicContact CE-CD2 3.35Å; I46-L97 HydrophobicContact CG2-CB 4.15Å; I46-L97 HydrophobicContact CG2-CD2 4.36Å; S47-L97 WeakPolarHBondContact O-CA 3.39Å; F48-L97 HydrophobicContact CB-CD2 3.77Å; V95-L97 HydrophobicContact CG1-CD2 3.92Å; V95-L97 HydrophobicContact CG1-CG 4.4Å; L97-T121 CarbonylContact O-C 3.42Å; L97-T121 WeakPolarHBondContact O-CA 3.26Å; L97-R122 HydrophobicContact CB-CB 4.32Å; L97-R122 PolarHBondContact N-O 2.76Å; L97-R122 PolarHBondContact O-N 2.9Å; L97-V124 HydrophobicContact CD1-CG2 4.33Å
98G92.6Very high87.2Confident0 Ų065 Ų650%034%0.34CS..EExtended strand (participates in β ladder)trans-155.2153.1170.800000111.4I46 S47 L100I46-G98 CarbonylContact C-O 3.51Å; I46-G98 WeakPolarHBondContact CA-O 3.19Å; S47-G98 PolarHBondContact N-O 2.75Å; S47-G98 PolarHBondContact O-N 2.86Å; G98-L100 PolarHBondContact O-N 3.18Å
99I91Very high87.6Confident21 Ų2164.7 Ų64.711%0.10833%0.33CS..EExtended strand (participates in β ladder)trans-67.5129.5178.6-52.7-56000108.6E8 L11 L12 I46 P101E8-I99 HydrophobicContact CB-CG1 3.99Å; E8-I99 HydrophobicContact CG-CG1 3.91Å; L11-I99 HydrophobicContact CB-CD1 4.2Å; L11-I99 HydrophobicContact CD1-CD1 4.45Å; L12-I99 HydrophobicContact CD2-CD1 3.8Å; L12-I99 HydrophobicContact CD2-CG1 4.48Å; L12-I99 HydrophobicContact CG-CD1 3.98Å; I46-I99 HydrophobicContact CD1-CD1 3.27Å; I99-P101 WeakPolarHBondContact O-CD 3.3Å
100L88.8Confident87.7Confident5 Ų562 Ų623%0.02632%0.319CS..  trans-93.8111.2172.6-171.363.7000107.9L45 T66 G98 K104 F112L45-L100 HydrophobicContact CB-CB 4.29Å; L45-L100 HydrophobicContact CD2-CB 4.09Å; L45-L100 HydrophobicContact CD2-CD2 3.33Å; L45-L100 HydrophobicContact CD2-CG 3.98Å; L45-L100 HydrophobicContact CG-CB 4.07Å; L45-L100 HydrophobicContact CG-CD2 3.91Å; L45-L100 HydrophobicContact CG-CG 4.47Å; L45-L100 PolarHBondContact O-N 2.57Å; T66-L100 HydrophobicContact CG2-CD2 3.49Å; T66-L100 VanDerWaalsContact CG2-CD2 3.49Å; G98-L100 PolarHBondContact O-N 3.18Å; L100-K104 HydrophobicContact CD1-CB 4.03Å; L100-F112 HydrophobicContact CD1-CB 4.36Å; L100-F112 HydrophobicContact CD1-CD1 3.76Å; L100-F112 HydrophobicContact CD1-CD2 3.49Å; L100-F112 VanDerWaalsContact CD1-CD2 3.49Å; L100-F112 HydrophobicContact CD1-CE1 3.79Å; L100-F112 HydrophobicContact CD1-CE2 3.55Å; L100-F112 HydrophobicContact CD1-CG 3.6Å; L100-F112 HydrophobicContact CD1-CZ 3.69Å
101P85.5Confident88Confident58 Ų5862.9 Ų62.938%0.37731%0.31SS..  trans-63.2146.5175.925.4-32.7000110I99 D103 K104 E105I99-P101 WeakPolarHBondContact O-CD 3.3Å; P101-D103 PolarHBondContact O-N 2.77Å; P101-K104 HydrophobicContact CG-CB 4.09Å; P101-K104 HydrophobicContact CG-CG 3.84Å; P101-K104 PolarHBondContact O-N 3.32Å; P101-E105 PolarHBondContact O-N 3.35Å
102K83.2Confident88Confident189 Ų18962.3 Ų62.382%0.82231%0.307SS*.G310 helixtrans-57.9-34.6-175.9-66.4-178.9-179.9176.90112.1K104 E105K102-K104 PolarHBondContact O-N 3.09Å; K102-K104 VanDerWaalsContact O-N 3.1Å; K102-E105 WeakPolarHBondContact O-CB 3.44Å; K102-E105 PolarHBondContact O-N 2.86Å; K102-E105 VanDerWaalsContact O-N 3.14Å
103D84.1Confident87.9Confident152 Ų15259.7 Ų59.781%0.81329%0.294SS*.G310 helixtrans-62.2-16.9176.1-52.6-84.2000114P101P101-D103 PolarHBondContact O-N 2.77Å
104K81.9Confident87.7Confident88 Ų8869.2 Ų69.238%0.38333%0.33SS..G310 helixtrans-112.98.8180-58.7-67.5-173.4179.10113L100 P101 K102 N106 M107 F112L100-K104 HydrophobicContact CD1-CB 4.03Å; P101-K104 HydrophobicContact CG-CB 4.09Å; P101-K104 HydrophobicContact CG-CG 3.84Å; P101-K104 PolarHBondContact O-N 3.32Å; K102-K104 PolarHBondContact O-N 3.09Å; K102-K104 VanDerWaalsContact O-N 3.1Å; K104-N106 VanDerWaalsContact C-N 3.25Å; K104-N106 PolarHBondContact O-N 3.05Å; K104-M107 HydrophobicContact CB-CB 4.49Å; K104-M107 HydrophobicContact CD-SD 4.02Å; K104-M107 WeakPolarHBondContact O-CB 3.41Å; K104-M107 PolarHBondContact O-N 2.93Å; K104-F112 HydrophobicContact CB-CD2 4.21Å; K104-F112 HydrophobicContact CB-CE2 4.41Å
105E81Confident87.3Confident112 Ų11273 Ų7352%0.52335%0.353SS..THydrogen-bonded Turntrans-59.3-36.2179.4178.2173.173.100112.9L45 P101 K102 M107L45-E105 HydrophobicContact CD2-CB 3.97Å; L45-E105 HydrophobicContact CD2-CG 3.69Å; L45-E105 WeakPolarHBondContact CD2-OE2 3.49Å; P101-E105 PolarHBondContact O-N 3.35Å; K102-E105 WeakPolarHBondContact O-CB 3.44Å; K102-E105 PolarHBondContact O-N 2.86Å; K102-E105 VanDerWaalsContact O-N 3.14Å; E105-M107 PolarHBondContact O-N 2.99Å
106N83.7Confident86.6Confident163 Ų16374.4 Ų74.487%0.87236%0.364SS*.THydrogen-bonded Turntrans-73.5-6.7178.4-65.8-37.1000113.5K104K104-N106 VanDerWaalsContact C-N 3.25Å; K104-N106 PolarHBondContact O-N 3.05Å
107M85.2Confident85.7Confident35 Ų3575 Ų7517%0.17238%0.382CS..SBendtrans-84.2136.8-178.2-159.8167.4-168.500110.5K104 E105 Q111 F112 T115K104-M107 HydrophobicContact CB-CB 4.49Å; K104-M107 HydrophobicContact CD-SD 4.02Å; K104-M107 WeakPolarHBondContact O-CB 3.41Å; K104-M107 PolarHBondContact O-N 2.93Å; E105-M107 PolarHBondContact O-N 2.99Å; M107-Q111 HydrophobicContact CE-CB 4.02Å; M107-Q111 HydrophobicContact CE-CG 3.52Å; M107-Q111 HydrophobicContact CG-CB 4.16Å; M107-Q111 HydrophobicContact CG-CG 4.48Å; M107-F112 HydrophobicContact CG-CB 4.5Å; M107-F112 HydrophobicContact SD-CB 4.38Å; M107-T115 HydrophobicContact CE-CG2 4.44Å; M107-T115 WeakPolarHBondContact CE-OG1 3.48Å
108K87.8Confident85.1Confident156 Ų15675.8 Ų75.868%0.67839%0.387SS*.  trans-58.6135.8174.3-75175.5-178.3162.30109.3S110 Q111 F112K108-S110 VanDerWaalsContact C-N 3.26Å; K108-S110 PolarHBondContact O-N 2.86Å; K108-Q111 HydrophobicContact CB-CB 4.22Å; K108-Q111 WeakPolarHBondContact O-CA 3.47Å; K108-Q111 WeakPolarHBondContact O-CB 3.49Å; K108-Q111 PolarHBondContact O-N 2.98Å; K108-F112 PolarHBondContact O-N 2.72Å
109P85.9Confident84.6Confident30 Ų3080.6 Ų80.620%0.19543%0.426CS..Hα-helixtrans-56.1-41.2-177-26.834.9000112.4T66 Q111 F112 W113T66-P109 HydrophobicContact CG2-CB 4.35Å; T66-P109 HydrophobicContact CG2-CG 3.8Å; P109-Q111 VanDerWaalsContact C-N 3.3Å; P109-Q111 PolarHBondContact O-N 2.81Å; P109-F112 PolarHBondContact O-N 3.11Å; P109-W113 PolarHBondContact O-N 2.88Å
110S86.6Confident84.4Confident45 Ų4579.9 Ų79.932%0.31542%0.423SS..Hα-helixtrans-58.5-38.7174.4-179.80000113K108 R114K108-S110 VanDerWaalsContact C-N 3.26Å; K108-S110 PolarHBondContact O-N 2.86Å; S110-R114 WeakPolarHBondContact O-CG 3.23Å; S110-R114 PolarHBondContact O-N 2.78Å
111Q87.1Confident84.5Confident100 Ų10082.9 Ų82.947%0.46744%0.442SS..Hα-helixtrans-73.9-40.6179.2-159.2-171.4-17.800111.4M107 K108 P109 R114 T115M107-Q111 HydrophobicContact CE-CB 4.02Å; M107-Q111 HydrophobicContact CE-CG 3.52Å; M107-Q111 HydrophobicContact CG-CB 4.16Å; M107-Q111 HydrophobicContact CG-CG 4.48Å; K108-Q111 HydrophobicContact CB-CB 4.22Å; K108-Q111 WeakPolarHBondContact O-CA 3.47Å; K108-Q111 WeakPolarHBondContact O-CB 3.49Å; K108-Q111 PolarHBondContact O-N 2.98Å; P109-Q111 VanDerWaalsContact C-N 3.3Å; P109-Q111 PolarHBondContact O-N 2.81Å; Q111-R114 PolarHBondContact O-N 2.83Å; Q111-R114 VanDerWaalsContact O-N 3.11Å; Q111-T115 HydrophobicContact CG-CG2 4.37Å; Q111-T115 PolarHBondContact O-N 2.8Å; Q111-T115 PolarHBondContact O-OG1 2.83Å
112F87.8Confident84.8Confident4 Ų482.9 Ų82.92%0.01843%0.434CS..Hα-helixtrans-55.1-53.8174173.4-105.6000110.9L100 K104 M107 K108 P109 R114 T115 A116 P118L100-F112 HydrophobicContact CD1-CB 4.36Å; L100-F112 HydrophobicContact CD1-CD1 3.76Å; L100-F112 HydrophobicContact CD1-CD2 3.49Å; L100-F112 VanDerWaalsContact CD1-CD2 3.49Å; L100-F112 HydrophobicContact CD1-CE1 3.79Å; L100-F112 HydrophobicContact CD1-CE2 3.55Å; L100-F112 HydrophobicContact CD1-CG 3.6Å; L100-F112 HydrophobicContact CD1-CZ 3.69Å; K104-F112 HydrophobicContact CB-CD2 4.21Å; K104-F112 HydrophobicContact CB-CE2 4.41Å; M107-F112 HydrophobicContact CG-CB 4.5Å; M107-F112 HydrophobicContact SD-CB 4.38Å; K108-F112 PolarHBondContact O-N 2.72Å; P109-F112 PolarHBondContact O-N 3.11Å; F112-R114 PolarHBondContact O-N 2.77Å; F112-T115 PolarHBondContact O-N 2.68Å; F112-A116 HydrophobicContact CD2-CB 4.08Å; F112-A116 WeakPolarHBondContact CD2-O 3.46Å; F112-A116 HydrophobicContact CE2-CB 4.21Å; F112-A116 WeakPolarHBondContact CE2-O 3.46Å; F112-A116 WeakPolarHBondContact CZ-O 3.35Å; F112-A116 CarbonylContact O-C 3.59Å; F112-A116 WeakPolarHBondContact O-CA 3.42Å; F112-A116 PolarHBondContact O-N 2.78Å; F112-A116 VanDerWaalsContact O-O 3.12Å; F112-P118 HydrophobicContact CE1-CB 4.2Å; F112-P118 HydrophobicContact CE1-CG 3.92Å; F112-P118 HydrophobicContact CZ-CB 4Å; F112-P118 HydrophobicContact CZ-CG 4.21Å
113W87.4Confident85.3Confident23 Ų2381.9 Ų81.99%0.08743%0.425CS..Hα-helixtrans-63.9-12.4178.6-76.3106.2000115.1S47 F48 K49 Y64 P109 P118 T121S47-W113 WeakPolarHBondContact O-CZ2 3.43Å; S47-W113 PolarHBondContact OG-NE1 2.71Å; F48-W113 PolarHBondContact O-NE1 3.24Å; K49-W113 HydrophobicContact CB-CD2 3.78Å; K49-W113 HydrophobicContact CB-CE3 4.33Å; K49-W113 HydrophobicContact CB-CG 4Å; K49-W113 HydrophobicContact CB-CZ2 4.11Å; K49-W113 HydrophobicContact CD-CB 4.24Å; K49-W113 HydrophobicContact CD-CD2 4.12Å; K49-W113 HydrophobicContact CD-CE3 4.19Å; K49-W113 HydrophobicContact CD-CG 4.15Å; Y64-W113 HydrophobicContact CD1-CB 4.3Å; Y64-W113 AromaticContact CD1-CD1 3.94Å; Y64-W113 HydrophobicContact CD1-CG 4.31Å; Y64-W113 HydrophobicContact CE1-CB 4.23Å; P109-W113 PolarHBondContact O-N 2.88Å; W113-P118 HydrophobicContact CE3-CG 4.34Å; W113-P118 HydrophobicContact CH2-CG 3.7Å; W113-P118 HydrophobicContact CZ2-CG 4.3Å; W113-P118 HydrophobicContact CZ3-CG 3.72Å; W113-T121 HydrophobicContact CH2-CG2 4.09Å; W113-T121 HydrophobicContact CZ3-CG2 4Å
114R86.6Confident85.7Confident201 Ų20175.8 Ų75.876%0.75839%0.394SS*.Hα-helixtrans-99.6-26.8177.6-71.7177.580.8166.15.8113.6S110 Q111 F112S110-R114 WeakPolarHBondContact O-CG 3.23Å; S110-R114 PolarHBondContact O-N 2.78Å; Q111-R114 PolarHBondContact O-N 2.83Å; Q111-R114 VanDerWaalsContact O-N 3.11Å; F112-R114 PolarHBondContact O-N 2.77Å
115T85.7Confident86.2Confident92 Ų9274.7 Ų74.756%0.56439%0.394SS*.Hα-helixtrans-118.6-29.7-169.756.30000113.4M107 Q111 F112M107-T115 HydrophobicContact CE-CG2 4.44Å; M107-T115 WeakPolarHBondContact CE-OG1 3.48Å; Q111-T115 HydrophobicContact CG-CG2 4.37Å; Q111-T115 PolarHBondContact O-N 2.8Å; Q111-T115 PolarHBondContact O-OG1 2.83Å; F112-T115 PolarHBondContact O-N 2.68Å
116A77.9Confident86.7Confident29 Ų2969.4 Ų69.424%0.2437%0.369CS..SBendtrans-141.469.4-176.700000107.9F112F112-A116 HydrophobicContact CD2-CB 4.08Å; F112-A116 WeakPolarHBondContact CD2-O 3.46Å; F112-A116 HydrophobicContact CE2-CB 4.21Å; F112-A116 WeakPolarHBondContact CE2-O 3.46Å; F112-A116 WeakPolarHBondContact CZ-O 3.35Å; F112-A116 CarbonylContact O-C 3.59Å; F112-A116 WeakPolarHBondContact O-CA 3.42Å; F112-A116 PolarHBondContact O-N 2.78Å; F112-A116 VanDerWaalsContact O-O 3.12Å
117A76.6Confident87.1Confident73 Ų7365.8 Ų65.860%0.60335%0.35SS*.  trans-57.3135.9174.800000109.1
118P81Confident87.4Confident15 Ų1564.2 Ų64.210%0.09734%0.342CS..  trans-62.2139.7179.621.2-27.2000110F112 W113 T120 T121F112-P118 HydrophobicContact CE1-CB 4.2Å; F112-P118 HydrophobicContact CE1-CG 3.92Å; F112-P118 HydrophobicContact CZ-CB 4Å; F112-P118 HydrophobicContact CZ-CG 4.21Å; W113-P118 HydrophobicContact CE3-CG 4.34Å; W113-P118 HydrophobicContact CH2-CG 3.7Å; W113-P118 HydrophobicContact CZ2-CG 4.3Å; W113-P118 HydrophobicContact CZ3-CG 3.72Å; P118-T120 VanDerWaalsContact C-N 3.27Å; P118-T120 PolarHBondContact O-N 2.77Å; P118-T121 HydrophobicContact CB-CG2 4.5Å; P118-T121 HydrophobicContact CG-CG2 3.73Å
119A81.2Confident87.5Confident101 Ų10161.1 Ų61.184%0.83533%0.33SS*.SBendtrans-61.4-39.9-179.100000111.5
120T87.1Confident87.7Confident6 Ų661 Ų614%0.03733%0.326CS..SBendtrans-108.6122.4175.9-58.10000110.1E8 K9 L12 P118E8-T120 HydrophobicContact CB-CG2 3.8Å; E8-T120 VanDerWaalsContact OE2-CB 3.28Å; E8-T120 WeakPolarHBondContact OE2-CB 3.18Å; E8-T120 PolarHBondContact OE2-OG1 2.77Å; K9-T120 HydrophobicContact CB-CG2 4.37Å; K9-T120 HydrophobicContact CD-CG2 4.42Å; K9-T120 HydrophobicContact CG-CG2 3.39Å; L12-T120 HydrophobicContact CD1-CG2 4.05Å; P118-T120 VanDerWaalsContact C-N 3.27Å; P118-T120 PolarHBondContact O-N 2.77Å
121T91.1Very high87.8Confident68 Ų6862.4 Ų62.442%0.41733%0.33SS..EExtended strand (participates in β ladder)trans-123.5143.617457.70000112.4L97 W113 P118L97-T121 CarbonylContact O-C 3.42Å; L97-T121 WeakPolarHBondContact O-CA 3.26Å; W113-T121 HydrophobicContact CH2-CG2 4.09Å; W113-T121 HydrophobicContact CZ3-CG2 4Å; P118-T121 HydrophobicContact CB-CG2 4.5Å; P118-T121 HydrophobicContact CG-CG2 3.73Å
122R92.5Very high87.6Confident59 Ų5963.6 Ų63.622%0.22335%0.347CS..EExtended strand (participates in β ladder)trans-107.3133.7165.6-177.7179.7-178.8-126.15.1109.4L12 D13 I15 Y96 L97 V124L12-R122 VanDerWaalsContact C-CD 3.42Å; L12-R122 HydrophobicContact CB-CB 3.68Å; L12-R122 HydrophobicContact CB-CG 4.48Å; L12-R122 HydrophobicContact CD1-CB 4.05Å; L12-R122 HydrophobicContact CG-CB 4.43Å; L12-R122 WeakPolarHBondContact O-CD 3.37Å; L12-R122 PolarHBondContact O-NH1 2.95Å; L12-R122 VanDerWaalsContact O-NH1 3.13Å; D13-R122 IonicContact OD2-CZ 2.78Å; D13-R122 VanDerWaalsContact OD2-CZ 3.23Å; D13-R122 IonicContact OD2-NE 3.31Å; D13-R122 PolarHBondContact OD2-NE 2.94Å; D13-R122 IonicContact OD2-NH2 2.67Å; D13-R122 PolarHBondContact OD2-NH2 3.4Å; I15-R122 PolarHBondContact O-NH1 2.89Å; Y96-R122 CarbonylContact C-O 3.53Å; Y96-R122 WeakPolarHBondContact CA-O 3.35Å; L97-R122 HydrophobicContact CB-CB 4.32Å; L97-R122 PolarHBondContact N-O 2.76Å; L97-R122 PolarHBondContact O-N 2.9Å; R122-V124 HydrophobicContact CG-CG2 4.27Å
123R92.7Very high87.4Confident168 Ų16865.8 Ų65.863%0.63437%0.365SS*.EExtended strand (participates in β ladder)trans-107.4119.5177.5-171.3178.669.6177.21.2109.1T94 Y96T94-R123 HydrophobicContact CG2-CG 3.27Å; Y96-R123 HydrophobicContact CD1-CG 4.46Å; Y96-R123 HydrophobicContact CE1-CG 4.09Å
124V92.4Very high87.2Confident24 Ų2467.9 Ų67.915%0.14538%0.377CS..EExtended strand (participates in β ladder)trans-112.2123.8174.3-178.30000107.9F17 T94 V95 L97 R122F17-V124 HydrophobicContact CD1-CG1 4.48Å; F17-V124 HydrophobicContact CD2-CG1 4.25Å; F17-V124 HydrophobicContact CE1-CB 4.39Å; F17-V124 HydrophobicContact CE1-CG1 4.18Å; F17-V124 HydrophobicContact CE2-CB 4.16Å; F17-V124 HydrophobicContact CE2-CG1 3.97Å; F17-V124 HydrophobicContact CE2-CG2 3.69Å; F17-V124 HydrophobicContact CZ-CB 3.86Å; F17-V124 HydrophobicContact CZ-CG1 3.92Å; F17-V124 HydrophobicContact CZ-CG2 3.71Å; T94-V124 CarbonylContact C-O 3.14Å; T94-V124 WeakPolarHBondContact CA-O 3.32Å; V95-V124 HydrophobicContact CB-CB 4.4Å; V95-V124 PolarHBondContact N-O 3.15Å; V95-V124 PolarHBondContact O-N 3.24Å; L97-V124 HydrophobicContact CD1-CG2 4.33Å; R122-V124 HydrophobicContact CG-CG2 4.27Å
125V92.9Very high87.1Confident65 Ų6561 Ų6139%0.39435%0.354SS..EExtended strand (participates in β ladder)trans-101122.9178.5-176.60000107.5H92H92-V125 HydrophobicContact CB-CG1 3.73Å
126I92Very high86.8Confident1 Ų158.3 Ų58.31%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-106.6120.9175.4-58.9175.9000106.8F17 D20 F22 F36 H92 L93 V95F17-I126 HydrophobicContact CD1-CD1 4.23Å; D20-I126 VanDerWaalsContact O-CA 3.26Å; D20-I126 WeakPolarHBondContact O-CA 3.43Å; D20-I126 VanDerWaalsContact O-CG2 3.29Å; D20-I126 WeakPolarHBondContact O-CG2 2.96Å; F22-I126 HydrophobicContact CD2-CG2 3.55Å; F22-I126 HydrophobicContact CE2-CG2 3.62Å; F36-I126 HydrophobicContact CD2-CD1 4.06Å; F36-I126 HydrophobicContact CE1-CD1 4.29Å; F36-I126 HydrophobicContact CE2-CD1 3.65Å; F36-I126 HydrophobicContact CZ-CD1 3.76Å; H92-I126 WeakPolarHBondContact CA-O 3.34Å; L93-I126 HydrophobicContact CB-CB 4.15Å; L93-I126 PolarHBondContact N-O 2.79Å; L93-I126 PolarHBondContact O-N 2.77Å; V95-I126 HydrophobicContact CG2-CD1 3.87Å
127N92.3Very high86.6Confident87 Ų8762.6 Ų62.647%0.46537%0.367SS..EExtended strand (participates in β ladder)trans-74.4143.1-177.9-62.5-48.3000110.2D20 S21 F22D20-N127 PolarHBondContact O-N 2.67Å; S21-N127 CarbonylContact C-O 3.58Å; S21-N127 WeakPolarHBondContact CA-O 3.49Å; F22-N127 PolarHBondContact N-O 2.83Å
128V90.9Very high86.4Confident1 Ų162.5 Ų62.51%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-125.3110.1175.6-1740000107.9F22 F24 L58 D91 L93 Y130F22-V128 HydrophobicContact CB-CG1 4.23Å; F22-V128 HydrophobicContact CB-CG2 4.24Å; F22-V128 HydrophobicContact CD2-CG2 4.33Å; F24-V128 HydrophobicContact CD2-CG1 3.67Å; F24-V128 HydrophobicContact CE2-CG1 3.99Å; L58-V128 HydrophobicContact CD1-CG1 4.44Å; L58-V128 HydrophobicContact CD2-CB 4.46Å; L58-V128 HydrophobicContact CD2-CG1 4.37Å; L58-V128 HydrophobicContact CD2-CG2 3.96Å; D91-V128 HydrophobicContact CB-CB 4.14Å; D91-V128 PolarHBondContact N-O 3.24Å; D91-V128 WeakPolarHBondContact O-CA 3.35Å; D91-V128 PolarHBondContact O-N 3.08Å; L93-V128 HydrophobicContact CD1-CG2 4.04Å; L93-V128 HydrophobicContact CG-CG2 4.06Å; V128-Y130 HydrophobicContact CG1-CE1 3.96Å; V128-Y130 HydrophobicContact CG1-CE2 4.43Å
129E90.8Very high85.7Confident91 Ų9165.6 Ų65.643%0.42538%0.381SS..EExtended strand (participates in β ladder)trans-104152.5178.9-60.2-177.5128.900109.7F22 K23 F24F22-E129 PolarHBondContact O-N 2.88Å; K23-E129 WeakPolarHBondContact CA-O 3.46Å; K23-E129 WeakPolarHBondContact CE-OE2 3.29Å; K23-E129 HydrophobicContact CG-CB 4.22Å; K23-E129 IonicContact NZ-OE2 3.22Å; F24-E129 PolarHBondContact N-O 2.69Å
130Y89.7Confident84.8Confident27 Ų2764.2 Ų64.211%0.10637%0.369CS..EExtended strand (participates in β ladder)trans-120.4138.5-177.4-59.1-71000110.3F24 P26 F79 F86 N89 D91 V128F24-Y130 HydrophobicContact CB-CD1 4.1Å; F24-Y130 HydrophobicContact CB-CE1 4.24Å; F24-Y130 VanDerWaalsContact O-CA 3.31Å; F24-Y130 WeakPolarHBondContact O-CA 3.38Å; P26-Y130 HydrophobicContact CG-CD1 4.36Å; F79-Y130 AromaticContact CD2-CE1 3.7Å; F79-Y130 HydrophobicContact CD2-CE1 3.7Å; F79-Y130 HydrophobicContact CE1-CE1 4.3Å; F79-Y130 HydrophobicContact CE2-CD1 4.23Å; F79-Y130 AromaticContact CE2-CE1 3.31Å; F79-Y130 HydrophobicContact CE2-CE1 3.31Å; F79-Y130 AromaticContact CE2-CZ 3.77Å; F79-Y130 HydrophobicContact CG-CE1 4.32Å; F79-Y130 HydrophobicContact CZ-CD1 4.13Å; F79-Y130 AromaticContact CZ-CE1 3.65Å; F79-Y130 HydrophobicContact CZ-CE1 3.65Å; F86-Y130 HydrophobicContact CE1-CG 4.12Å; F86-Y130 AromaticContact CZ-CD1 3.77Å; F86-Y130 HydrophobicContact CZ-CD1 3.77Å; F86-Y130 AromaticContact CZ-CD2 3.69Å; F86-Y130 HydrophobicContact CZ-CD2 3.69Å; F86-Y130 HydrophobicContact CZ-CE1 4.17Å; F86-Y130 HydrophobicContact CZ-CE2 4.08Å; F86-Y130 AromaticContact CZ-CG 3.51Å; F86-Y130 HydrophobicContact CZ-CG 3.51Å; N89-Y130 WeakPolarHBondContact O-CD2 3.45Å; N89-Y130 WeakPolarHBondContact O-CE2 3.33Å; D91-Y130 HydrophobicContact CB-CE2 3.94Å; D91-Y130 WeakPolarHBondContact CB-OH 3.42Å; D91-Y130 WeakPolarHBondContact OD2-CE2 3.31Å; D91-Y130 PolarHBondContact OD2-OH 2.93Å; D91-Y130 VanDerWaalsContact OD2-OH 3.05Å; V128-Y130 HydrophobicContact CG1-CE1 3.96Å; V128-Y130 HydrophobicContact CG1-CE2 4.43Å
131D88Confident83.3Confident75 Ų7569.4 Ų69.440%0.40141%0.412SS..  trans-68.8131.3169.4-159.1-64000108.9F24 K25 P26 A133F24-D131 PolarHBondContact O-N 2.76Å; K25-D131 HydrophobicContact CB-CB 4.17Å; K25-D131 HydrophobicContact CG-CB 4.06Å; P26-D131 WeakPolarHBondContact CD-O 3.3Å; D131-A133 PolarHBondContact O-N 2.92Å; D131-A133 VanDerWaalsContact OD1-CB 3.26Å; D131-A133 WeakPolarHBondContact OD1-CB 3.39Å; D131-A133 PolarHBondContact OD1-N 3.36Å
132P82.6Confident81.4Confident126 Ų12669.5 Ų69.582%0.81843%0.427SS*.SBendtrans-63.2-22.1176.326.4-35.5000112.6I134P132-I134 PolarHBondContact O-N 2.81Å; P132-I134 VanDerWaalsContact O-N 3.15Å
133A85Confident79.4Confident50 Ų5070.4 Ų70.441%0.41345%0.448SS..  trans-79.595.5176.400000111K25 D131K25-A133 VanDerWaalsContact CE-O 3.29Å; K25-A133 WeakPolarHBondContact CE-O 3.49Å; K25-A133 WeakPolarHBondContact CG-O 3.18Å; D131-A133 PolarHBondContact O-N 2.92Å; D131-A133 VanDerWaalsContact OD1-CB 3.26Å; D131-A133 WeakPolarHBondContact OD1-CB 3.39Å; D131-A133 PolarHBondContact OD1-N 3.36Å
134I82.8Confident77.3Confident66 Ų6670.8 Ų70.834%0.33846%0.457SS..  trans-73128.1172.4-53.5176.9000109.4P26 Y28 L82 F86 P132P26-I134 HydrophobicContact CB-CG1 4.25Å; P26-I134 HydrophobicContact CB-CG2 4.31Å; P26-I134 HydrophobicContact CG-CG1 4.47Å; P26-I134 WeakPolarHBondContact O-CA 3.2Å; Y28-I134 HydrophobicContact CD2-CG2 3.68Å; Y28-I134 HydrophobicContact CE2-CB 4.47Å; Y28-I134 HydrophobicContact CE2-CG2 3.32Å; L82-I134 HydrophobicContact CD1-CD1 4.24Å; L82-I134 HydrophobicContact CD1-CG2 3.54Å; F86-I134 HydrophobicContact CB-CD1 4.34Å; F86-I134 HydrophobicContact CD1-CD1 4.06Å; F86-I134 HydrophobicContact CD1-CG1 4.48Å; P132-I134 PolarHBondContact O-N 2.81Å; P132-I134 VanDerWaalsContact O-N 3.15Å
135E82.9Confident75.2Confident58 Ų5873.8 Ų73.827%0.27148%0.483SS..BIsolated β-bridgetrans-91.9131.4-179.2-164.817996.400112K25 P26 S27 Y28 R32K25-E135 IonicContact NZ-OE2 2.78Å; K25-E135 PolarHBondContact NZ-OE2 2.78Å; P26-E135 PolarHBondContact O-N 3.48Å; S27-E135 CarbonylContact C-O 3.44Å; S27-E135 WeakPolarHBondContact CA-O 3.42Å; S27-E135 PolarHBondContact OG-O 3.16Å; Y28-E135 PolarHBondContact N-O 3.39Å; R32-E135 VanDerWaalsContact NH2-CD 3.34Å; R32-E135 IonicContact NH2-OE1 2.88Å; R32-E135 PolarHBondContact NH2-OE1 2.84Å; R32-E135 IonicContact NH2-OE2 3.18Å; R32-E135 PolarHBondContact NH2-OE2 2.8Å
136G79.7Confident73.1Confident35 Ų3576.5 Ų76.536%0.36150%0.502SS..SBendtrans90.5170.2179.800000113.4Y28 N29Y28-G136 WeakPolarHBondContact CD2-O 3.47Å; N29-G136 WeakPolarHBondContact ND2-CA 3.25Å
137V75.4Confident71.1Confident119 Ų11980.2 Ų80.272%0.72153%0.533SS*.PPolyproline II helixtrans-95.2136.3179.3-173.40000107.3Y28Y28-V137 WeakPolarHBondContact CB-O 3.28Å
138P71Confident69.1Low71 Ų7181.9 Ų81.946%0.46155%0.549SS..PPolyproline II helixtrans-53.1135.5172.421.8-32.5000109.2Y28 A140Y28-P138 HydrophobicContact CD1-CB 4.17Å; Y28-P138 HydrophobicContact CE1-CB 3.8Å; Y28-P138 HydrophobicContact CE2-CB 4.18Å; P138-A140 PolarHBondContact O-N 3.04Å; P138-A140 VanDerWaalsContact O-N 3.09Å
139P66.2Low67.5Low80 Ų8087.9 Ų87.952%0.51959%0.586SS.*PPolyproline II helixtrans-56125.2174.123.6-31.2000107.4A141P139-A141 PolarHBondContact O-N 3.09Å
140A63.7Low65.7Low72 Ų7289.4 Ų89.460%0.59560%0.604SS**PPolyproline II helixtrans-51.8121174.200000107.1P138 G142 A143P138-A140 PolarHBondContact O-N 3.04Å; P138-A140 VanDerWaalsContact O-N 3.09Å; A140-G142 PolarHBondContact O-N 3Å; A140-A143 HydrophobicContact CB-CB 4.33Å; A140-A143 PolarHBondContact O-N 2.82Å
141A54.8Low64Low114 Ų11492.6 Ų92.694%0.94264%0.635SS**THydrogen-bonded Turntrans-56103.5177.300000107.6P139P139-A141 PolarHBondContact O-N 3.09Å
142G51.2Low62.4Low71 Ų7193.1 Ų93.173%0.73265%0.65SS**THydrogen-bonded Turntrans102.913.6-178.900000117.1A140 E144A140-G142 PolarHBondContact O-N 3Å; G142-E144 PolarHBondContact O-N 2.82Å
143A51.2Low61Low78 Ų7892.6 Ų92.665%0.64565%0.647SS**  trans-72.273.2159.100000109A140 A145A140-A143 HydrophobicContact CB-CB 4.33Å; A140-A143 PolarHBondContact O-N 2.82Å; A143-A145 PolarHBondContact O-N 3.16Å; A143-A145 VanDerWaalsContact O-N 3.16Å
144E47Very low59.8Low176 Ų17695.7 Ų95.782%0.82266%0.663SS**  trans-41.8122153.8-98.4169.568.400106.7G142 P146G142-E144 PolarHBondContact O-N 2.82Å; E144-P146 VanDerWaalsContact O-N 3.15Å
145A49.1Very low58.1Low86 Ų8698.2 Ų98.271%0.71168%0.684SS**  trans-46128.5170.600000106.8A143 A147A143-A145 PolarHBondContact O-N 3.16Å; A143-A145 VanDerWaalsContact O-N 3.16Å; A145-A147 PolarHBondContact O-N 2.86Å
146P48.5Very low56.4Low122 Ų122100.8 Ų100.879%0.79272%0.715SS**  trans-52.6116.4-179.321.2-31.3000106.4E144E144-P146 VanDerWaalsContact O-N 3.15Å
147A50.6Low54.9Low79 Ų79108.3 Ų108.365%0.65374%0.74SS**  trans-45.8133.4175.300000106.8A145 T149A145-A147 PolarHBondContact O-N 2.86Å; A147-T149 PolarHBondContact O-N 2.83Å
148P50.5Low53.3Low122 Ų122105.9 Ų105.979%0.79274%0.739SS**  trans-52.2113.7-177.822-32000106.8
149T56.4Low52.1Low127 Ų127107.2 Ų107.278%0.77976%0.756SS**PPolyproline II helixtrans-48.8121174.136.50000105.9A147 A151A147-T149 PolarHBondContact O-N 2.83Å; T149-A151 PolarHBondContact O-N 2.94Å
150P52.7Low51.3Low124 Ų124109.3 Ų109.381%0.80577%0.77SS**PPolyproline II helixtrans-54119.2-179.419.3-29.2000106.6A152P150-A152 PolarHBondContact O-N 3.05Å
151A55.4Low50.5Low93 Ų93115.1 Ų115.177%0.76979%0.785SS**PPolyproline II helixtrans-48.4121.1176.900000106.9T149T149-A151 PolarHBondContact O-N 2.94Å
152A53.1Low49.9Very low86 Ų86118.3 Ų118.371%0.71178%0.777SS**PPolyproline II helixtrans-48.1129.5-18000000108.4P150P150-A152 PolarHBondContact O-N 3.05Å
153P54.9Low49.6Very low116 Ų116124.6 Ų124.675%0.75378%0.784SS**PPolyproline II helixtrans-57.7139.3-177.123.3-31.8000108.9
154P58Low49.1Very low114 Ų114128 Ų12874%0.7479%0.787SS**PPolyproline II helixtrans-57.5147.6178.724.5-32.4000109.8A156P154-A156 PolarHBondContact O-N 2.9Å
155P46.9Very low49.2Very low120 Ų120127.2 Ų127.278%0.77979%0.789SS**PPolyproline II helixtrans-55.6129.1-176.922.2-31.6000110E157P155-E157 PolarHBondContact O-N 3.25Å
156A47.5Very low49Very low112 Ų112131.7 Ų131.793%0.92680%0.795SS**  trans-57.997.9177.300000110P154P154-A156 PolarHBondContact O-N 2.9Å
157E48.1Very low48.5Very low193 Ų193128.6 Ų128.690%0.90279%0.785SS**  trans-96.6113.8170.6-157.3172107.600108P155P155-E157 PolarHBondContact O-N 3.25Å
158G43.2Very low47.9Very low67 Ų67133.6 Ų133.669%0.69180%0.795SS**  trans73.696.3159.900000115.8P160G158-P160 WeakPolarHBondContact O-CD 3.37Å
159A46.1Very low47.6Very low100 Ų100134.5 Ų134.583%0.82679%0.793SS**PPolyproline II helixtrans-51.2122.8162.200000110.9
160P48.4Very low46.8Very low124 Ų124136.9 Ų136.981%0.80580%0.795SS**PPolyproline II helixtrans-78121.1158.713.60.6000107.8G158G158-P160 WeakPolarHBondContact O-CD 3.37Å
161E47.3Very low46.4Very low193 Ų193139.9 Ų139.990%0.90280%0.799SS**PPolyproline II helixtrans-52.4142.7171.8-87.117166.400112
162K41.7Very low45.5Very low182 Ų182139.4 Ų139.479%0.79180%0.803SS**  trans-40.7134.8172.5-66.2176.6166.5-161.40113.2
163K45.3Very low44.9Very low202 Ų202143 Ų14388%0.87881%0.805SS**  trans-140.1105135.9-149.6172.6-175.6-177.20108.4
164E40.9Very low44.3Very low150 Ų150146.1 Ų146.170%0.70181%0.809SS**  trans-56.4125.5163.8-72.7155.189.600108.1
165D49.3Very low43.9Very low160 Ų160144.6 Ų144.686%0.85681%0.814SS**  trans-136.397.4157.7-155.7-122.4000104.5G167D165-G167 PolarHBondContact O-N 3.43Å
166E45Very low43.9Very low180 Ų180151.8 Ų151.884%0.84184%0.837SS**  trans-50.4124.9170.2-72.3167.480.200108.6
167G36.9Very low43.7Very low57 Ų57153.8 Ų153.859%0.58883%0.833SS**  84.5103.710100000109.8D165D165-G167 PolarHBondContact O-N 3.43Å
168E39.1Very low43.5Very low184 Ų184151.7 Ų151.786%0.8683%0.829SS**  56.5112.2107.8-83172.493.500111.1
169D43.7Very low43.5Very low141 Ų141156.4 Ų156.475%0.75484%0.837SS**  -153.8129.574.3-73.5-75.3000109.9
170E40.4Very low43.3Very low177 Ų177159.8 Ų159.883%0.82784%0.838SS**  45111.4101.3-75.7-159.6122.700115.3
171E43.9Very low43Very low186 Ų186162 Ų16287%0.86984%0.84SS**  -176.797.9121.1-99.9178.9157.700108
172G35.6Very low42.7Very low83 Ų83159.9 Ų159.986%0.85684%0.836SS**  trans-83.6116.6154.100000107.3
173E41.1Very low42.8Very low161 Ų161158.4 Ų158.475%0.75284%0.839SS**  trans-142.5105.4158.2-153.3172104.900109.7
174E42.1Very low42.6Very low183 Ų183155 Ų15586%0.85584%0.836SS**  trans50.2115.4132.5-50.4-176167.800119.2
175G49.4Very low42.8Very low81 Ų81155.4 Ų155.484%0.83585%0.847SS**  trans-138.178.8159.600000108.3
176E46.9Very low42.2Very low272 Ų272155 Ų155100%1.27185%0.846SS**  trans-74.80157-136.7173.894.400109.9

Retrieved 176 of 176 residues in 421.6 ms (Link to these results)

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