A0A077Z7M4_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 A0A077Z7M4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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
1M48Very low84.4Confident242 Ų24294 Ų94100%1.19248%0.481SS*.  0123.60-66.3-170.6-174.800108.3K3M1-K3 PolarHBondContact O-N 3.27Å
2S66Low85.2Confident114 Ų11491 Ų9180%0.79748%0.48SS*.PPolyproline II helixtrans-63.4122.4177-56.30000109.7K4S2-K4 PolarHBondContact O-N 3.31Å
3K71.5Confident86Confident130 Ų13087.7 Ų87.757%0.56547%0.466SS*.PPolyproline II helixtrans-55.4123.1177-67.7-178.8-179.6177.70109.2M1 Q35 K36M1-K3 PolarHBondContact O-N 3.27Å; K3-Q35 HydrophobicContact CB-CB 4.1Å; K3-Q35 HydrophobicContact CD-CB 4.39Å; K3-Q35 HydrophobicContact CG-CB 4.28Å; K3-K36 HydrophobicContact CB-CD 4.27Å; K3-K36 HydrophobicContact CB-CG 3.71Å; K3-K36 VanDerWaalsContact O-CE 3.24Å; K3-K36 WeakPolarHBondContact O-CE 3.37Å
4K83.6Confident86.7Confident170 Ų17081.5 Ų81.574%0.73943%0.433SS*.PPolyproline II helixtrans-81.2148.6177.1-66.2-178.2179.7178.20109.9S2 Q35S2-K4 PolarHBondContact O-N 3.31Å; K4-Q35 PolarHBondContact O-N 2.82Å
5F88.4Confident87.2Confident46 Ų4678.3 Ų78.320%0.20242%0.418CS..  trans-113.6138.5166.771.7-81.5000108.6K36 V38 Y90 A92 R111F5-K36 HydrophobicContact CB-CB 4.11Å; F5-V38 HydrophobicContact CB-CG2 4.01Å; F5-V38 HydrophobicContact CD2-CG2 4.26Å; F5-Y90 HydrophobicContact CD2-CD2 4.01Å; F5-Y90 HydrophobicContact CD2-CE2 4.07Å; F5-Y90 AromaticContact CE2-CD2 3.89Å; F5-Y90 HydrophobicContact CE2-CD2 3.89Å; F5-Y90 AromaticContact CE2-CE2 3.92Å; F5-Y90 HydrophobicContact CE2-CE2 3.92Å; F5-A92 HydrophobicContact CB-CB 4.3Å; F5-A92 HydrophobicContact CD1-CB 3.61Å; F5-A92 HydrophobicContact CD2-CB 4.43Å; F5-A92 HydrophobicContact CE1-CB 3.93Å; F5-A92 HydrophobicContact CG-CB 3.88Å; F5-A92 HydrophobicContact CZ-CB 4.47Å; F5-R111 HydrophobicContact CE2-CG 4.48Å
6N92.4Very high87.7Confident54 Ų5473.6 Ų73.629%0.28939%0.393SS..  trans-146.5144.4178.3-167.946.4000109.1E8 N32 T33N6-E8 PolarHBondContact ND2-OE1 3.03Å; N6-N32 PolarHBondContact O-OD1 2.88Å; N6-N32 VanDerWaalsContact O-OD1 3.06Å; N6-T33 PolarHBondContact ND2-OG1 3.27Å; N6-T33 PolarHBondContact O-N 3.14Å
7L94.6Very high88Confident3 Ų374.9 Ų74.92%0.01639%0.392CS..  trans-130.5129.8176.8-17173.4000108.1L30 S31 N32 I40 I59 V88 Y90 L113L7-L30 HydrophobicContact CD1-CB 4.36Å; L7-S31 WeakPolarHBondContact CA-O 3.28Å; L7-N32 HydrophobicContact CD1-CB 4.43Å; L7-I40 HydrophobicContact CD2-CG2 3.79Å; L7-I59 HydrophobicContact CD1-CD1 3.84Å; L7-V88 HydrophobicContact CD2-CG1 3.93Å; L7-Y90 HydrophobicContact CB-CD1 4.49Å; L7-Y90 HydrophobicContact CB-CD2 3.78Å; L7-Y90 HydrophobicContact CB-CE2 3.89Å; L7-Y90 HydrophobicContact CB-CG 4.09Å; L7-Y90 HydrophobicContact CD2-CD1 4.26Å; L7-Y90 HydrophobicContact CD2-CD2 4.45Å; L7-Y90 HydrophobicContact CD2-CG 3.96Å; L7-L113 HydrophobicContact CB-CD1 3.86Å; L7-L113 HydrophobicContact CD2-CD1 3.93Å; L7-L113 HydrophobicContact CG-CD1 3.95Å; L7-L113 WeakPolarHBondContact O-CD1 3.21Å
8E95.4Very high88.2Confident97 Ų9771.9 Ų71.945%0.45338%0.38SS..EExtended strand (participates in β ladder)trans-113.4151.1178.2-73.7168.4-150.800110.2N6 L30 S31 T33N6-E8 PolarHBondContact ND2-OE1 3.03Å; E8-L30 WeakPolarHBondContact O-CA 3.01Å; E8-S31 PolarHBondContact N-O 2.91Å; E8-S31 PolarHBondContact O-N 3.03Å; E8-T33 HydrophobicContact CG-CG2 4.43Å; E8-T33 WeakPolarHBondContact OE1-CG2 3.04Å; E8-T33 PolarHBondContact OE1-OG1 2.76Å
9V95.9Very high88.5Confident32 Ų3271.1 Ų71.119%0.19438%0.379CS..EExtended strand (participates in β ladder)trans-130127.9-174.9-1740000109.9V28 K29 L30 L113 I115V9-V28 HydrophobicContact CG1-CG1 3.26Å; V9-K29 WeakPolarHBondContact CA-O 3.44Å; V9-L30 HydrophobicContact CB-CD2 4.35Å; V9-L30 HydrophobicContact CG1-CD2 4.07Å; V9-L30 HydrophobicContact CG2-CD2 3.66Å; V9-L113 HydrophobicContact CG2-CB 3.85Å; V9-L113 HydrophobicContact CG2-CD1 3.54Å; V9-L113 HydrophobicContact CG2-CD2 4.48Å; V9-L113 HydrophobicContact CG2-CG 4.11Å; V9-I115 HydrophobicContact CG1-CD1 3.77Å; V9-I115 HydrophobicContact CG1-CG1 3.69Å
10D96Very high88.8Confident95 Ų9568.4 Ų68.451%0.50836%0.364SS..EExtended strand (participates in β ladder)trans-143.7120.6177.8177.239.8000111.3K29D10-K29 PolarHBondContact N-O 2.93Å; D10-K29 WeakPolarHBondContact O-CB 3.5Å; D10-K29 PolarHBondContact O-N 2.82Å
11P96.5Very high89Confident51 Ų5170.7 Ų70.733%0.33138%0.376SS..  cis-77.6155.4-3.232.8-36.2000112.6T13P11-T13 WeakPolarHBondContact CG-O 3.06Å; P11-T13 PolarHBondContact O-N 3.42Å
12A93.9Very high91.1Very high58 Ų5866 Ų6648%0.47935%0.345SS..SBendtrans-75.6-9.8172.500000113.6I115 K116A12-I115 WeakPolarHBondContact O-CA 3.43Å; A12-K116 PolarHBondContact O-N 3.41Å
13T95.8Very high92.5Very high48 Ų4867.9 Ų67.929%0.29434%0.335SS..EExtended strand (participates in β ladder)trans-129.8128.8177.3-58.50000110.1P11 V15 K116 E118P11-T13 WeakPolarHBondContact CG-O 3.06Å; P11-T13 PolarHBondContact O-N 3.42Å; T13-V15 HydrophobicContact CG2-CG2 4.22Å; T13-K116 CarbonylContact C-O 3.43Å; T13-K116 WeakPolarHBondContact CA-O 3.38Å; T13-K116 HydrophobicContact CG2-CB 4.32Å; T13-E118 HydrophobicContact CG2-CB 4.35Å; T13-E118 HydrophobicContact CG2-CG 3.81Å
14L95.8Very high93.7Very high1 Ų163.2 Ų63.21%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-96.1125.2170.5-72.7-179.6000109.7Y16 S26 V28 V69 L86 I115 K116 V117 E118L14-Y16 HydrophobicContact CB-CE2 4.26Å; L14-S26 VanDerWaalsContact CD2-OG 3.29Å; L14-S26 WeakPolarHBondContact CD2-OG 3.35Å; L14-V28 HydrophobicContact CD1-CG2 3.91Å; L14-V28 HydrophobicContact CD2-CG2 3.31Å; L14-V28 HydrophobicContact CG-CG2 3.77Å; L14-V69 HydrophobicContact CD1-CB 3.93Å; L14-V69 HydrophobicContact CD1-CG1 4.28Å; L14-V69 HydrophobicContact CD1-CG2 3.82Å; L14-L86 HydrophobicContact CD1-CD1 4.11Å; L14-I115 HydrophobicContact CB-CG2 4.47Å; L14-I115 HydrophobicContact CD1-CG2 4.01Å; L14-I115 HydrophobicContact CG-CG2 3.74Å; L14-K116 PolarHBondContact N-O 3.27Å; L14-V117 HydrophobicContact CB-CG2 4.44Å; L14-V117 CarbonylContact O-C 3.52Å; L14-V117 WeakPolarHBondContact O-CA 3.43Å; L14-E118 PolarHBondContact O-N 3.37Å
15V94.3Very high94.2Very high34 Ų3458.9 Ų58.921%0.20631%0.306CS..EExtended strand (participates in β ladder)trans-110.9129177.3-174.20000109.3T13 Y17 E118 K120T13-V15 HydrophobicContact CG2-CG2 4.22Å; V15-Y17 HydrophobicContact CB-CE2 4.38Å; V15-Y17 HydrophobicContact CG1-CD1 4.26Å; V15-Y17 HydrophobicContact CG1-CD2 4.46Å; V15-Y17 HydrophobicContact CG1-CE1 3.71Å; V15-Y17 HydrophobicContact CG1-CE2 3.93Å; V15-E118 WeakPolarHBondContact CA-O 3.45Å; V15-E118 HydrophobicContact CG2-CB 4.42Å; V15-K120 HydrophobicContact CG1-CB 4.06Å; V15-K120 HydrophobicContact CG1-CD 3.78Å; V15-K120 HydrophobicContact CG1-CG 3.92Å
16Y95Very high94.6Very high3 Ų358.1 Ų58.11%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-113.4139.4170-62.3-78.6000109.3L14 Q24 F50 V69 C71 V117 E118 F119 K120L14-Y16 HydrophobicContact CB-CE2 4.26Å; Y16-Q24 HydrophobicContact CD1-CB 3.65Å; Y16-Q24 HydrophobicContact CE1-CB 4.2Å; Y16-F50 HydrophobicContact CD2-CE1 4.41Å; Y16-F50 HydrophobicContact CE2-CD1 4.4Å; Y16-F50 AromaticContact CE2-CE1 3.84Å; Y16-F50 HydrophobicContact CE2-CE1 3.84Å; Y16-V69 WeakPolarHBondContact OH-CB 3.49Å; Y16-V69 VanDerWaalsContact OH-CG1 3.29Å; Y16-V69 WeakPolarHBondContact OH-CG1 3.31Å; Y16-V69 PolarHBondContact OH-O 2.94Å; Y16-C71 HydrophobicContact CD1-CB 3.73Å; Y16-C71 HydrophobicContact CD2-CB 4.2Å; Y16-C71 HydrophobicContact CE1-CB 3.58Å; Y16-C71 HydrophobicContact CE2-CB 4.08Å; Y16-C71 HydrophobicContact CG-CB 4.03Å; Y16-V117 HydrophobicContact CD2-CG1 3.69Å; Y16-V117 HydrophobicContact CE2-CG1 3.71Å; Y16-E118 PolarHBondContact N-O 3.19Å; Y16-F119 HydrophobicContact CD2-CE1 4.1Å; Y16-F119 HydrophobicContact CG-CE1 4.38Å; Y16-F119 WeakPolarHBondContact O-CA 3.24Å; Y16-K120 PolarHBondContact O-N 2.73Å
17Y93.6Very high94.7Very high95 Ų9558 Ų5837%0.37331%0.31SS..EExtended strand (participates in β ladder)trans-110.4137.5-171-65.9-76.8000111.6V15 Q24 K120 N121V15-Y17 HydrophobicContact CB-CE2 4.38Å; V15-Y17 HydrophobicContact CG1-CD1 4.26Å; V15-Y17 HydrophobicContact CG1-CD2 4.46Å; V15-Y17 HydrophobicContact CG1-CE1 3.71Å; V15-Y17 HydrophobicContact CG1-CE2 3.93Å; Y17-Q24 VanDerWaalsContact O-CD 3.25Å; Y17-Q24 PolarHBondContact O-NE2 3.04Å; Y17-Q24 PolarHBondContact O-OE1 2.9Å; Y17-K120 CarbonylContact C-O 3.58Å; Y17-K120 WeakPolarHBondContact CA-O 3.48Å; Y17-K120 HydrophobicContact CD1-CB 3.95Å; Y17-K120 HydrophobicContact CE1-CB 3.98Å; Y17-N121 WeakPolarHBondContact CD1-O 3.33Å
18A91.9Very high94.8Very high22 Ų2257.9 Ų57.918%0.18231%0.31CS..SBendtrans-56.5145.3171.800000110.6F20 K120A18-F20 HydrophobicContact CB-CD2 4.24Å; A18-F20 HydrophobicContact CB-CE1 4.49Å; A18-F20 HydrophobicContact CB-CE2 3.74Å; A18-F20 HydrophobicContact CB-CZ 3.88Å; A18-K120 PolarHBondContact N-O 3.11Å
19P93.1Very high94.8Very high56 Ų5658 Ų5836%0.36431%0.308SS..  cis-80.8146.15.533.8-36.8000113.8D21 Q24P19-D21 WeakPolarHBondContact CB-OD1 3.43Å; P19-Q24 PolarHBondContact O-NE2 3.02Å; P19-Q24 VanDerWaalsContact O-NE2 3.08Å
20F93.8Very high94.9Very high16 Ų1656.5 Ų56.57%0.0730%0.3CS..  trans-96.112.7-178.2-51-67000113.7A18 R22 P73 F74 F76 F119A18-F20 HydrophobicContact CB-CD2 4.24Å; A18-F20 HydrophobicContact CB-CE1 4.49Å; A18-F20 HydrophobicContact CB-CE2 3.74Å; A18-F20 HydrophobicContact CB-CZ 3.88Å; F20-R22 VanDerWaalsContact C-N 3.27Å; F20-P73 VanDerWaalsContact O-CA 3.29Å; F20-P73 WeakPolarHBondContact O-CA 3.24Å; F20-F74 HydrophobicContact CB-CD1 4.04Å; F20-F74 HydrophobicContact CB-CE1 3.68Å; F20-F74 HydrophobicContact CB-CZ 4.11Å; F20-F74 HydrophobicContact CD1-CE1 4.08Å; F20-F74 HydrophobicContact CD1-CZ 4.35Å; F20-F74 HydrophobicContact CD2-CZ 4.4Å; F20-F74 AromaticContact CG-CE1 3.91Å; F20-F74 HydrophobicContact CG-CE1 3.91Å; F20-F74 HydrophobicContact CG-CZ 4.03Å; F20-F74 PolarHBondContact O-N 2.92Å; F20-F76 HydrophobicContact CD2-CB 3.45Å; F20-F76 VanDerWaalsContact CD2-CB 3.45Å; F20-F76 HydrophobicContact CD2-CD1 4.42Å; F20-F76 AromaticContact CD2-CD2 3.69Å; F20-F76 HydrophobicContact CD2-CD2 3.69Å; F20-F76 AromaticContact CD2-CG 3.6Å; F20-F76 HydrophobicContact CD2-CG 3.6Å; F20-F76 HydrophobicContact CE2-CB 4.02Å; F20-F76 HydrophobicContact CE2-CD1 4.16Å; F20-F76 AromaticContact CE2-CD2 3.49Å; F20-F76 HydrophobicContact CE2-CD2 3.49Å; F20-F76 VanDerWaalsContact CE2-CD2 3.49Å; F20-F76 AromaticContact CE2-CE2 3.94Å; F20-F76 HydrophobicContact CE2-CE2 3.94Å; F20-F76 AromaticContact CE2-CG 3.62Å; F20-F76 HydrophobicContact CE2-CG 3.62Å; F20-F76 HydrophobicContact CE2-CZ 4.45Å; F20-F76 HydrophobicContact CG-CB 4.36Å; F20-F76 HydrophobicContact CZ-CD2 4.3Å; F20-F76 HydrophobicContact CZ-CE2 4.46Å; F20-F119 AromaticContact CD1-CD1 3.99Å; F20-F119 HydrophobicContact CD1-CD1 3.99Å; F20-F119 HydrophobicContact CE1-CB 4.04Å; F20-F119 AromaticContact CE1-CD1 3.59Å; F20-F119 HydrophobicContact CE1-CD1 3.59Å; F20-F119 HydrophobicContact CE1-CG 4.25Å; F20-F119 HydrophobicContact CZ-CB 3.74Å; F20-F119 HydrophobicContact CZ-CD1 4.15Å; F20-F119 HydrophobicContact CZ-CG 4.36Å
21D92.9Very high94.9Very high117 Ų11753.3 Ų53.363%0.62629%0.285SS*.SBendtrans-79.5-9.1177.963.7-13.7000113.4P19 P73P19-D21 WeakPolarHBondContact CB-OD1 3.43Å; D21-P73 WeakPolarHBondContact O-CB 3.25Å
22R93.5Very high94.9Very high145 Ų14551 Ų5155%0.54727%0.269SS..SBendtrans-125.1153.9-179.163.9-171.7179.6-174.5-0.3111.2F20 Q24F20-R22 VanDerWaalsContact C-N 3.27Å; R22-Q24 PolarHBondContact O-N 3.32Å
23R95.6Very high94.9Very high152 Ų15251.9 Ų51.957%0.57427%0.269SS*.  trans-64.9129.4175.6-175.7-175.1-64.7169.5-1.1109.6R70 C71 L72R23-R70 HydrophobicContact CG-CB 4.32Å; R23-C71 WeakPolarHBondContact CA-O 3.44Å; R23-C71 WeakPolarHBondContact CG-O 3.4Å; R23-L72 HydrophobicContact CG-CD2 4.46Å
24Q95.8Very high94.8Very high32 Ų3250.1 Ų50.115%0.1526%0.26CS..EExtended strand (participates in β ladder)trans-114.7148.4174.6-63.9-1784800110.2Y16 Y17 P19 R22 R70 C71Y16-Q24 HydrophobicContact CD1-CB 3.65Å; Y16-Q24 HydrophobicContact CE1-CB 4.2Å; Y17-Q24 VanDerWaalsContact O-CD 3.25Å; Y17-Q24 PolarHBondContact O-NE2 3.04Å; Y17-Q24 PolarHBondContact O-OE1 2.9Å; P19-Q24 PolarHBondContact O-NE2 3.02Å; P19-Q24 VanDerWaalsContact O-NE2 3.08Å; R22-Q24 PolarHBondContact O-N 3.32Å; Q24-R70 CarbonylContact O-C 3.59Å; Q24-R70 WeakPolarHBondContact O-CA 3.48Å; Q24-C71 PolarHBondContact N-O 3.25Å; Q24-C71 PolarHBondContact O-N 3.49Å
25S94.8Very high94.6Very high79 Ų7956.3 Ų56.355%0.55229%0.289SS*.EExtended strand (participates in β ladder)trans-124.3134.4178.3-59.30000109.5V69S25-V69 WeakPolarHBondContact CA-O 3.35Å
26S95.5Very high94.6Very high30 Ų3058.4 Ų58.421%0.2130%0.295CS..EExtended strand (participates in β ladder)trans-129.5158.8171.1-163.20000110L14 H68 V69L14-S26 VanDerWaalsContact CD2-OG 3.29Å; L14-S26 WeakPolarHBondContact CD2-OG 3.35Å; S26-H68 WeakPolarHBondContact O-CA 3.44Å; S26-V69 PolarHBondContact N-O 3Å; S26-V69 PolarHBondContact O-N 2.89Å
27S95.2Very high94.6Very high53 Ų5361.3 Ų61.337%0.37131%0.306SS..EExtended strand (participates in β ladder)trans-128137.2-173.959.80000111.8L67S27-L67 CarbonylContact C-O 3.46Å; S27-L67 VanDerWaalsContact CA-O 3.3Å; S27-L67 WeakPolarHBondContact CA-O 3.38Å
28V96Very high94.7Very high0 Ų056.8 Ų56.80%029%0.289CS..EExtended strand (participates in β ladder)trans-122.8135.6176.3-173.50000109.4V9 L14 L30 L67 I115V9-V28 HydrophobicContact CG1-CG1 3.26Å; L14-V28 HydrophobicContact CD1-CG2 3.91Å; L14-V28 HydrophobicContact CD2-CG2 3.31Å; L14-V28 HydrophobicContact CG-CG2 3.77Å; V28-L30 HydrophobicContact CG1-CD2 4.45Å; V28-L67 HydrophobicContact CB-CB 4.3Å; V28-L67 PolarHBondContact N-O 3.06Å; V28-L67 PolarHBondContact O-N 3.16Å; V28-I115 HydrophobicContact CG1-CD1 4.05Å; V28-I115 HydrophobicContact CG2-CD1 4.39Å
29K96.6Very high94.9Very high98 Ų9855.7 Ų55.743%0.42628%0.28SS..EExtended strand (participates in β ladder)trans-86124.3171.6-67.8168.6-175.9173.90109.1V9 D10 V64 M66V9-K29 WeakPolarHBondContact CA-O 3.44Å; D10-K29 PolarHBondContact N-O 2.93Å; D10-K29 WeakPolarHBondContact O-CB 3.5Å; D10-K29 PolarHBondContact O-N 2.82Å; K29-V64 HydrophobicContact CB-CG1 4.11Å; K29-V64 HydrophobicContact CG-CG1 4.33Å; K29-M66 HydrophobicContact CB-SD 4.38Å; K29-M66 HydrophobicContact CG-CE 4.05Å; K29-M66 HydrophobicContact CG-SD 3.47Å; K29-M66 WeakPolarHBondContact CG-SD 3.37Å
30L96.6Very high95.1Very high2 Ų253.4 Ų53.41%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-105.6109.9167.9-58.1179.8000108.3L7 E8 V9 V28 I40 I59 V64 K65 L67 V88L7-L30 HydrophobicContact CD1-CB 4.36Å; E8-L30 WeakPolarHBondContact O-CA 3.01Å; V9-L30 HydrophobicContact CB-CD2 4.35Å; V9-L30 HydrophobicContact CG1-CD2 4.07Å; V9-L30 HydrophobicContact CG2-CD2 3.66Å; V28-L30 HydrophobicContact CG1-CD2 4.45Å; L30-I40 HydrophobicContact CD1-CD1 3.85Å; L30-I59 HydrophobicContact CB-CD1 3.9Å; L30-I59 HydrophobicContact CD1-CD1 4.48Å; L30-V64 CarbonylContact O-C 3.56Å; L30-V64 WeakPolarHBondContact O-CA 3.38Å; L30-K65 HydrophobicContact CB-CB 4.41Å; L30-K65 PolarHBondContact N-O 2.76Å; L30-K65 PolarHBondContact O-N 3.03Å; L30-L67 HydrophobicContact CD1-CB 4.25Å; L30-L67 HydrophobicContact CG-CB 4.38Å; L30-V88 HydrophobicContact CD1-CG1 4.4Å; L30-V88 HydrophobicContact CD2-CG2 4.19Å
31S96.7Very high95.2Very high28 Ų2855.7 Ų55.720%0.19627%0.274CS..EExtended strand (participates in β ladder)trans-109.9119-173.7-60.80000110.6L7 E8 T33L7-S31 WeakPolarHBondContact CA-O 3.28Å; E8-S31 PolarHBondContact N-O 2.91Å; E8-S31 PolarHBondContact O-N 3.03Å; S31-T33 PolarHBondContact O-N 3.38Å
32N96.6Very high95.4Very high2 Ų251.3 Ų51.31%0.01125%0.251CS..  trans-84.994.3173.7-178.23.1000110N6 L7 G34 K36 I59 E60 G62 Q63N6-N32 PolarHBondContact O-OD1 2.88Å; N6-N32 VanDerWaalsContact O-OD1 3.06Å; L7-N32 HydrophobicContact CD1-CB 4.43Å; N32-G34 PolarHBondContact O-N 2.85Å; N32-G34 WeakPolarHBondContact OD1-CA 3.34Å; N32-G34 PolarHBondContact OD1-N 3.32Å; N32-K36 PolarHBondContact ND2-O 3.43Å; N32-I59 HydrophobicContact CB-CB 4.32Å; N32-I59 HydrophobicContact CB-CG2 3.57Å; N32-I59 PolarHBondContact ND2-O 3.11Å; N32-E60 WeakPolarHBondContact CB-O 3.4Å; N32-E60 VanDerWaalsContact ND2-C 3.32Å; N32-E60 PolarHBondContact ND2-O 3.05Å; N32-E60 VanDerWaalsContact ND2-O 3.16Å; N32-G62 WeakPolarHBondContact O-CA 3.41Å; N32-G62 PolarHBondContact O-N 3.2Å; N32-Q63 PolarHBondContact N-O 3.41Å
33T94.9Very high95.5Very high76 Ų7650.5 Ų50.547%0.46625%0.248SC..  trans-84.22.417657.70000112.9N6 E8 S31N6-T33 PolarHBondContact ND2-OG1 3.27Å; N6-T33 PolarHBondContact O-N 3.14Å; E8-T33 HydrophobicContact CG-CG2 4.43Å; E8-T33 WeakPolarHBondContact OE1-CG2 3.04Å; E8-T33 PolarHBondContact OE1-OG1 2.76Å; S31-T33 PolarHBondContact O-N 3.38Å
34G93Very high95.4Very high11 Ų1144.7 Ų44.711%0.11323%0.229CC..SBendtrans-82.8178.9176.100000114.7N32N32-G34 PolarHBondContact O-N 2.85Å; N32-G34 WeakPolarHBondContact OD1-CA 3.34Å; N32-G34 PolarHBondContact OD1-N 3.32Å
35Q92.3Very high95.3Very high131 Ų13146.2 Ų46.261%0.61224%0.243SC*.SBendtrans-104.73.9177.2-66.5-176.9-11.600113.2K3 K4K3-Q35 HydrophobicContact CB-CB 4.1Å; K3-Q35 HydrophobicContact CD-CB 4.39Å; K3-Q35 HydrophobicContact CG-CB 4.28Å; K4-Q35 PolarHBondContact O-N 2.82Å
36K93.3Very high95.3Very high78 Ų7844.8 Ų44.834%0.33923%0.23SC..SBendtrans-120.3150.5176.3-66.2-167.2169.8-165.30110K3 F5 N32 A92K3-K36 HydrophobicContact CB-CD 4.27Å; K3-K36 HydrophobicContact CB-CG 3.71Å; K3-K36 VanDerWaalsContact O-CE 3.24Å; K3-K36 WeakPolarHBondContact O-CE 3.37Å; F5-K36 HydrophobicContact CB-CB 4.11Å; N32-K36 PolarHBondContact ND2-O 3.43Å; K36-A92 HydrophobicContact CD-CB 4.01Å
37R94.7Very high95.1Very high64 Ų6449.4 Ų49.424%0.24225%0.252CS..  trans-59.9139.7168.6-176.7-172.7-67.1167-7109.3L58 E60 A93 Q97R37-L58 HydrophobicContact CG-CB 4.46Å; R37-L58 HydrophobicContact CG-CD2 4.28Å; R37-E60 IonicContact CZ-OE1 3.86Å; R37-E60 IonicContact CZ-OE2 2.82Å; R37-E60 VanDerWaalsContact NE-CD 3.26Å; R37-E60 IonicContact NE-OE1 3.85Å; R37-E60 PolarHBondContact NE-OE1 3.19Å; R37-E60 IonicContact NE-OE2 3.69Å; R37-E60 PolarHBondContact NE-OE2 3.44Å; R37-E60 IonicContact NH2-OE1 2.71Å; R37-E60 PolarHBondContact NH2-OE1 3.24Å; R37-E60 IonicContact NH2-OE2 3.66Å; R37-A93 HydrophobicContact CB-CB 4.04Å; R37-A93 HydrophobicContact CG-CB 3.82Å; R37-A93 PolarHBondContact O-N 3.46Å; R37-Q97 PolarHBondContact NH1-O 3.36Å
38V95.7Very high95Very high0 Ų051.8 Ų51.80%027%0.268CS..EExtended strand (participates in β ladder)trans-115.5126.9-178.6174.30000109.4F5 I40 L58 I59 Y90 I91F5-V38 HydrophobicContact CB-CG2 4.01Å; F5-V38 HydrophobicContact CD2-CG2 4.26Å; V38-I40 HydrophobicContact CG1-CG2 3.94Å; V38-L58 CarbonylContact O-C 3.57Å; V38-L58 WeakPolarHBondContact O-CA 3.43Å; V38-I59 PolarHBondContact N-O 3.26Å; V38-I59 PolarHBondContact O-N 3.02Å; V38-Y90 HydrophobicContact CG1-CD2 4.05Å; V38-Y90 HydrophobicContact CG1-CG 4.34Å; V38-I91 CarbonylContact C-O 3.59Å; V38-I91 VanDerWaalsContact CA-O 3.25Å; V38-I91 WeakPolarHBondContact CA-O 3.47Å; V38-I91 WeakPolarHBondContact CG1-O 3.36Å
39A96.6Very high95Very high0 Ų052.4 Ų52.40%027%0.272CS..EExtended strand (participates in β ladder)trans-89.4131.9167.400000109.2L58 Y90 I91 A93 I103A39-L58 HydrophobicContact CB-CD2 3.74Å; A39-Y90 VanDerWaalsContact O-CA 3.24Å; A39-Y90 WeakPolarHBondContact O-CA 3.38Å; A39-I91 HydrophobicContact CB-CD1 4.46Å; A39-I91 HydrophobicContact CB-CG1 3.91Å; A39-I91 PolarHBondContact N-O 2.76Å; A39-I91 PolarHBondContact O-N 2.92Å; A39-A93 HydrophobicContact CB-CB 4.3Å; A39-I103 HydrophobicContact CB-CD1 4.22Å; A39-I103 HydrophobicContact CB-CG2 3.94Å
40I96.8Very high95Very high7 Ų748.1 Ų48.14%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-117.1148.7-179.163.7160.1000111.4L7 L30 V38 V54 V56 G57 I59 V88 L89 W104L7-I40 HydrophobicContact CD2-CG2 3.79Å; L30-I40 HydrophobicContact CD1-CD1 3.85Å; V38-I40 HydrophobicContact CG1-CG2 3.94Å; I40-V54 HydrophobicContact CD1-CG1 4.26Å; I40-V56 WeakPolarHBondContact O-CA 3.33Å; I40-G57 WeakPolarHBondContact CG1-O 3.42Å; I40-G57 PolarHBondContact N-O 3.13Å; I40-G57 PolarHBondContact O-N 2.84Å; I40-G57 VanDerWaalsContact O-N 3.13Å; I40-I59 HydrophobicContact CD1-CD1 4.08Å; I40-I59 HydrophobicContact CD1-CG1 4.47Å; I40-I59 HydrophobicContact CG2-CD1 3.97Å; I40-I59 HydrophobicContact CG2-CG1 4.43Å; I40-V88 HydrophobicContact CB-CG1 4.26Å; I40-V88 HydrophobicContact CG2-CG1 4.31Å; I40-L89 CarbonylContact C-O 3.58Å; I40-L89 VanDerWaalsContact CA-O 3.28Å; I40-L89 WeakPolarHBondContact CA-O 3.41Å; I40-W104 PolarHBondContact O-NE1 2.86Å
41K96.7Very high94.9Very high65 Ų6551.5 Ų51.528%0.28327%0.271SS..EExtended strand (participates in β ladder)trans-140.9120.7169.8177.9170.6-173.2172.10109.6T55 V56 L89 W104K41-T55 CarbonylContact C-O 3.59Å; K41-T55 WeakPolarHBondContact CA-O 3.42Å; K41-V56 HydrophobicContact CB-CG2 4.39Å; K41-V56 HydrophobicContact CG-CG2 4.11Å; K41-L89 HydrophobicContact CB-CB 4.36Å; K41-L89 PolarHBondContact N-O 3.43Å; K41-L89 WeakPolarHBondContact O-CB 3.37Å; K41-L89 PolarHBondContact O-N 2.8Å; K41-W104 HydrophobicContact CB-CD2 3.85Å; K41-W104 HydrophobicContact CB-CE3 4.38Å; K41-W104 HydrophobicContact CB-CG 4.34Å; K41-W104 HydrophobicContact CB-CH2 4.08Å; K41-W104 HydrophobicContact CB-CZ2 3.51Å; K41-W104 HydrophobicContact CB-CZ3 4.47Å; K41-W104 HydrophobicContact CD-CD2 3.95Å; K41-W104 HydrophobicContact CD-CE3 4.17Å; K41-W104 HydrophobicContact CD-CG 4.1Å
42L96.7Very high94.9Very high25 Ų2551.5 Ų51.513%0.13127%0.273CS..EExtended strand (participates in β ladder)trans-86.2135.8178.3-170.472.7000110.4A52 V54 T55 L67 L86 V88L42-A52 HydrophobicContact CD2-CB 3.18Å; L42-V54 WeakPolarHBondContact CD2-O 3.47Å; L42-T55 PolarHBondContact N-O 3.22Å; L42-L67 HydrophobicContact CD1-CD2 3.95Å; L42-L67 HydrophobicContact CD2-CD1 3.94Å; L42-L67 HydrophobicContact CD2-CD2 4.37Å; L42-L86 HydrophobicContact CD1-CB 4.26Å; L42-L86 HydrophobicContact CD1-CD2 4.14Å; L42-L86 HydrophobicContact CD2-CD2 4.1Å; L42-L86 HydrophobicContact CG-CD2 4.41Å; L42-V88 HydrophobicContact CD1-CG2 3.69Å
43R95.1Very high94.8Very high128 Ų12854.7 Ų54.748%0.48329%0.29SS..EExtended strand (participates in β ladder)trans-124.5151.8166.3-70.1-175.8167.9167.1-3.6109.2L86 V87 L89R43-L86 CarbonylContact O-C 3.57Å; R43-L86 WeakPolarHBondContact O-CA 3.17Å; R43-V87 PolarHBondContact N-O 2.91Å; R43-V87 PolarHBondContact O-N 2.8Å; R43-L89 HydrophobicContact CG-CD1 4.43Å
44T94.9Very high94.8Very high30 Ų3052.1 Ų52.118%0.18427%0.274CS..EExtended strand (participates in β ladder)trans-130.6154.2173.2174.70000109.3D46 N47 F50 K85T44-D46 WeakPolarHBondContact CG2-O 3.31Å; T44-D46 PolarHBondContact O-N 3.3Å; T44-D46 PolarHBondContact OG1-N 3Å; T44-D46 PolarHBondContact OG1-O 3.34Å; T44-N47 HydrophobicContact CG2-CB 4.42Å; T44-N47 WeakPolarHBondContact CG2-OD1 3.49Å; T44-F50 WeakPolarHBondContact OG1-CD2 3.24Å; T44-K85 WeakPolarHBondContact CA-O 3.33Å
45S93.6Very high94.8Very high63 Ų6356.1 Ų56.144%0.44130%0.296SS..SBendtrans-63.1-26.4169.849.70000113.3H84 K85S45-H84 WeakPolarHBondContact OG-CA 3.42Å; S45-H84 WeakPolarHBondContact OG-CB 3.37Å; S45-H84 PolarHBondContact OG-ND1 3.25Å; S45-K85 PolarHBondContact N-O 3.06Å; S45-K85 PolarHBondContact OG-N 2.83Å; S45-K85 VanDerWaalsContact OG-N 3.07Å; S45-K85 PolarHBondContact OG-O 3.39Å
46D93.3Very high95Very high50 Ų5052.4 Ų52.427%0.26728%0.282SS..  trans-144.2103.4-176.7-169-24.1000110.5T44 S48 L49 F50 H84T44-D46 WeakPolarHBondContact CG2-O 3.31Å; T44-D46 PolarHBondContact O-N 3.3Å; T44-D46 PolarHBondContact OG1-N 3Å; T44-D46 PolarHBondContact OG1-O 3.34Å; D46-S48 VanDerWaalsContact C-N 3.27Å; D46-S48 WeakPolarHBondContact OD1-CA 3.3Å; D46-S48 WeakPolarHBondContact OD1-CB 3.33Å; D46-S48 PolarHBondContact OD1-N 2.9Å; D46-L49 HydrophobicContact CB-CB 4.07Å; D46-L49 PolarHBondContact OD1-N 2.9Å; D46-F50 HydrophobicContact CB-CD2 4.29Å; D46-F50 HydrophobicContact CB-CE2 4.43Å; D46-F50 WeakPolarHBondContact O-CD2 3.34Å; D46-F50 PolarHBondContact O-N 2.86Å; D46-H84 IonicContact OD2-CE1 2.76Å
47N92.7Very high95.1Very high126 Ų12649.6 Ų49.667%0.67428%0.275SS*.THydrogen-bonded Turntrans-74.7-18.9178.5-68.9-45.5000112.6T44T44-N47 HydrophobicContact CG2-CB 4.42Å; T44-N47 WeakPolarHBondContact CG2-OD1 3.49Å
48S93.1Very high95.2Very high103 Ų10348.6 Ų48.672%0.7227%0.274SS*.THydrogen-bonded Turntrans-80.7-26.8178.5-58.90000111.3D46 L72D46-S48 VanDerWaalsContact C-N 3.27Å; D46-S48 WeakPolarHBondContact OD1-CA 3.3Å; D46-S48 WeakPolarHBondContact OD1-CB 3.33Å; D46-S48 PolarHBondContact OD1-N 2.9Å; S48-L72 WeakPolarHBondContact O-CD1 3.4Å
49L95.4Very high95.2Very high13 Ų1348.6 Ų48.67%0.06827%0.274CS..THydrogen-bonded Turntrans-95.5-34.4-178.4-172.757.6000113.8D46 L72 F74 F119D46-L49 HydrophobicContact CB-CB 4.07Å; D46-L49 PolarHBondContact OD1-N 2.9Å; L49-L72 WeakPolarHBondContact CD1-O 3.29Å; L49-L72 PolarHBondContact O-N 2.85Å; L49-F74 HydrophobicContact CD1-CB 3.91Å; L49-F74 HydrophobicContact CD1-CD1 3.65Å; L49-F74 HydrophobicContact CD1-CE1 4.39Å; L49-F74 HydrophobicContact CD1-CG 3.92Å; L49-F119 HydrophobicContact CD2-CZ 4.19Å
50F96.5Very high95.1Very high8 Ų852 Ų524%0.03529%0.29CS..EExtended strand (participates in β ladder)trans-114.4123.3-174-58.7-73.7000112.7Y16 T44 D46 V69 R70 C71 H84 V117 F119Y16-F50 HydrophobicContact CD2-CE1 4.41Å; Y16-F50 HydrophobicContact CE2-CD1 4.4Å; Y16-F50 AromaticContact CE2-CE1 3.84Å; Y16-F50 HydrophobicContact CE2-CE1 3.84Å; T44-F50 WeakPolarHBondContact OG1-CD2 3.24Å; D46-F50 HydrophobicContact CB-CD2 4.29Å; D46-F50 HydrophobicContact CB-CE2 4.43Å; D46-F50 WeakPolarHBondContact O-CD2 3.34Å; D46-F50 PolarHBondContact O-N 2.86Å; F50-V69 HydrophobicContact CB-CG1 4.29Å; F50-V69 HydrophobicContact CD1-CG1 4.22Å; F50-R70 CarbonylContact C-O 3.55Å; F50-R70 WeakPolarHBondContact CA-O 3.34Å; F50-C71 HydrophobicContact CD1-CB 4.22Å; F50-C71 HydrophobicContact CE1-CB 4.11Å; F50-H84 HydrophobicContact CE2-CB 3.66Å; F50-H84 AromaticContact CE2-CG 3.69Å; F50-H84 AromaticContact CE2-ND1 3.8Å; F50-H84 HydrophobicContact CZ-CB 3.89Å; F50-V117 HydrophobicContact CE1-CG1 3.91Å; F50-V117 HydrophobicContact CE1-CG2 4.44Å; F50-V117 HydrophobicContact CZ-CB 4.38Å; F50-V117 HydrophobicContact CZ-CG1 3.79Å; F50-V117 HydrophobicContact CZ-CG2 4.3Å; F50-F119 HydrophobicContact CE1-CZ 4.35Å; F50-F119 AromaticContact CZ-CZ 3.92Å; F50-F119 HydrophobicContact CZ-CZ 3.92Å
51L95.2Very high95Very high73 Ų7354.5 Ų54.538%0.38231%0.307SS..EExtended strand (participates in β ladder)trans-109.4117.9173.4-60-178.8000110.5R70 L72L51-R70 HydrophobicContact CB-CB 4.34Å; L51-R70 PolarHBondContact N-O 2.82Å; L51-R70 PolarHBondContact O-N 2.79Å; L51-L72 HydrophobicContact CD1-CD1 3.98Å; L51-L72 HydrophobicContact CD1-CD2 3.78Å; L51-L72 HydrophobicContact CD1-CG 4.07Å; L51-L72 HydrophobicContact CG-CD1 4.04Å; L51-L72 HydrophobicContact CG-CD2 4.36Å; L51-L72 HydrophobicContact CG-CG 4.13Å
52A95.7Very high95Very high29 Ų2954.6 Ų54.624%0.2433%0.326CS..EExtended strand (participates in β ladder)trans-97.7146.8173.600000111.7L42 V54 L67 H68L42-A52 HydrophobicContact CD2-CB 3.18Å; A52-V54 PolarHBondContact O-N 3.06Å; A52-L67 HydrophobicContact CB-CD1 4.11Å; A52-H68 WeakPolarHBondContact CA-O 3.49Å
53N95Very high94.9Very high69 Ų6957.3 Ų57.337%0.36934%0.338SS..SBendtrans-69.7-21.1171.769.4-37.9000113.4M66 H68N53-M66 PolarHBondContact ND2-O 3.36Å; N53-H68 HydrophobicContact CB-CB 4.19Å; N53-H68 PolarHBondContact N-O 2.8Å; N53-H68 PolarHBondContact OD1-N 2.81Å; N53-H68 PolarHBondContact OD1-O 2.97Å
54V93.5Very high95Very high22 Ų2255 Ų5513%0.13334%0.338CS..  trans-134.1123.9179.8178.90000108.7I40 L42 A52 L67I40-V54 HydrophobicContact CD1-CG1 4.26Å; L42-V54 WeakPolarHBondContact CD2-O 3.47Å; A52-V54 PolarHBondContact O-N 3.06Å; V54-L67 HydrophobicContact CB-CD1 4.33Å
55T94.3Very high95Very high95 Ų9557.5 Ų57.558%0.58335%0.346SS*.SBendtrans-103-36172.351.60000111.7K41 L42K41-T55 CarbonylContact C-O 3.59Å; K41-T55 WeakPolarHBondContact CA-O 3.42Å; L42-T55 PolarHBondContact N-O 3.22Å
56V96Very high95.1Very high53 Ų5357.8 Ų57.832%0.32134%0.342SS..EExtended strand (participates in β ladder)trans-139.9143.3178175.50000108I40 K41 A100I40-V56 WeakPolarHBondContact O-CA 3.33Å; K41-V56 HydrophobicContact CB-CG2 4.39Å; K41-V56 HydrophobicContact CG-CG2 4.11Å; V56-A100 HydrophobicContact CG1-CB 3.45Å; V56-A100 VanDerWaalsContact CG1-CB 3.45Å
57G95.4Very high95.3Very high18 Ų1855.6 Ų55.619%0.18633%0.33CS..EExtended strand (participates in β ladder)trans-175.1176.5178.100000114.3I40I40-G57 WeakPolarHBondContact CG1-O 3.42Å; I40-G57 PolarHBondContact N-O 3.13Å; I40-G57 PolarHBondContact O-N 2.84Å; I40-G57 VanDerWaalsContact O-N 3.13Å
58L95.9Very high95.4Very high43 Ų4353.3 Ų53.323%0.22532%0.315CS..EExtended strand (participates in β ladder)trans-114.4145.6173.7-64.7167.6000110.1R37 V38 A39 A93 S98 A100 I103R37-L58 HydrophobicContact CG-CB 4.46Å; R37-L58 HydrophobicContact CG-CD2 4.28Å; V38-L58 CarbonylContact O-C 3.57Å; V38-L58 WeakPolarHBondContact O-CA 3.43Å; A39-L58 HydrophobicContact CB-CD2 3.74Å; L58-A93 HydrophobicContact CD2-CB 3.88Å; L58-S98 WeakPolarHBondContact CD1-O 3.46Å; L58-A100 HydrophobicContact CD2-CB 4.07Å; L58-A100 HydrophobicContact CG-CB 3.92Å; L58-I103 HydrophobicContact CD2-CD1 3.84Å
59I96.1Very high95.6Very high0 Ų048.4 Ų48.40%028%0.281CS..EExtended strand (participates in β ladder)trans-128.4119.2173.8-53.1178.7000108L7 L30 N32 V38 I40 Q63 K65L7-I59 HydrophobicContact CD1-CD1 3.84Å; L30-I59 HydrophobicContact CB-CD1 3.9Å; L30-I59 HydrophobicContact CD1-CD1 4.48Å; N32-I59 HydrophobicContact CB-CB 4.32Å; N32-I59 HydrophobicContact CB-CG2 3.57Å; N32-I59 PolarHBondContact ND2-O 3.11Å; V38-I59 PolarHBondContact N-O 3.26Å; V38-I59 PolarHBondContact O-N 3.02Å; I40-I59 HydrophobicContact CD1-CD1 4.08Å; I40-I59 HydrophobicContact CD1-CG1 4.47Å; I40-I59 HydrophobicContact CG2-CD1 3.97Å; I40-I59 HydrophobicContact CG2-CG1 4.43Å; I59-Q63 HydrophobicContact CG2-CB 3.93Å; I59-Q63 HydrophobicContact CG2-CG 4.43Å; I59-Q63 WeakPolarHBondContact CG2-O 3.34Å; I59-K65 HydrophobicContact CD1-CB 3.78Å; I59-K65 HydrophobicContact CG1-CB 4.01Å
60E95.3Very high95.6Very high72 Ų7252.5 Ų52.534%0.33630%0.295SS..  trans-71.2156.8178.3-65.1-64.717900111.9N32 R37 G62 Q63N32-E60 WeakPolarHBondContact CB-O 3.4Å; N32-E60 VanDerWaalsContact ND2-C 3.32Å; N32-E60 PolarHBondContact ND2-O 3.05Å; N32-E60 VanDerWaalsContact ND2-O 3.16Å; R37-E60 IonicContact CZ-OE1 3.86Å; R37-E60 IonicContact CZ-OE2 2.82Å; R37-E60 VanDerWaalsContact NE-CD 3.26Å; R37-E60 IonicContact NE-OE1 3.85Å; R37-E60 PolarHBondContact NE-OE1 3.19Å; R37-E60 IonicContact NE-OE2 3.69Å; R37-E60 PolarHBondContact NE-OE2 3.44Å; R37-E60 IonicContact NH2-OE1 2.71Å; R37-E60 PolarHBondContact NH2-OE1 3.24Å; R37-E60 IonicContact NH2-OE2 3.66Å; E60-G62 PolarHBondContact O-N 2.88Å; E60-Q63 HydrophobicContact CB-CB 4.19Å; E60-Q63 VanDerWaalsContact O-CB 3.24Å; E60-Q63 WeakPolarHBondContact O-CB 3.41Å; E60-Q63 PolarHBondContact O-N 3.19Å
61P95.2Very high95.6Very high60 Ų6052.3 Ų52.339%0.3930%0.295SS..THydrogen-bonded Turntrans-52.1129.4173-2533.7000111.9Q63P61-Q63 PolarHBondContact O-N 2.97Å
62G95Very high95.7Very high66 Ų6650.8 Ų50.868%0.6829%0.287SS*.THydrogen-bonded Turntrans76.5-2.1-178.600000115.1N32 E60N32-G62 WeakPolarHBondContact O-CA 3.41Å; N32-G62 PolarHBondContact O-N 3.2Å; E60-G62 PolarHBondContact O-N 2.88Å
63Q96.4Very high95.7Very high82 Ų8252.7 Ų52.738%0.38330%0.297SS..  trans-83.4145.2177.8-168.1-178.71700111.4N32 I59 E60 P61N32-Q63 PolarHBondContact N-O 3.41Å; I59-Q63 HydrophobicContact CG2-CB 3.93Å; I59-Q63 HydrophobicContact CG2-CG 4.43Å; I59-Q63 WeakPolarHBondContact CG2-O 3.34Å; E60-Q63 HydrophobicContact CB-CB 4.19Å; E60-Q63 VanDerWaalsContact O-CB 3.24Å; E60-Q63 WeakPolarHBondContact O-CB 3.41Å; E60-Q63 PolarHBondContact O-N 3.19Å; P61-Q63 PolarHBondContact O-N 2.97Å
64V96Very high95.6Very high79 Ų7951.4 Ų51.448%0.47929%0.288SS..EExtended strand (participates in β ladder)trans-109.3128.7169.2-176.20000109.2K29 L30K29-V64 HydrophobicContact CB-CG1 4.11Å; K29-V64 HydrophobicContact CG-CG1 4.33Å; L30-V64 CarbonylContact O-C 3.56Å; L30-V64 WeakPolarHBondContact O-CA 3.38Å
65K95.6Very high95.6Very high83 Ų8356.8 Ų56.836%0.36132%0.321SS..EExtended strand (participates in β ladder)trans-110.3127.1175.7-169.373.7174.1-171.80109.8L30 I59L30-K65 HydrophobicContact CB-CB 4.41Å; L30-K65 PolarHBondContact N-O 2.76Å; L30-K65 PolarHBondContact O-N 3.03Å; I59-K65 HydrophobicContact CD1-CB 3.78Å; I59-K65 HydrophobicContact CG1-CB 4.01Å
66M96.2Very high95.5Very high69 Ų6956.2 Ų56.234%0.3431%0.311SS..EExtended strand (participates in β ladder)trans-84.7114.6174.4-65.1-57.5-68.100110.7K29 N53K29-M66 HydrophobicContact CB-SD 4.38Å; K29-M66 HydrophobicContact CG-CE 4.05Å; K29-M66 HydrophobicContact CG-SD 3.47Å; K29-M66 WeakPolarHBondContact CG-SD 3.37Å; N53-M66 PolarHBondContact ND2-O 3.36Å
67L95.9Very high95.2Very high4 Ų457.1 Ų57.12%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-91.5111.4171.1178.869.4000108.9S27 V28 L30 L42 A52 V54 V69 I115S27-L67 CarbonylContact C-O 3.46Å; S27-L67 VanDerWaalsContact CA-O 3.3Å; S27-L67 WeakPolarHBondContact CA-O 3.38Å; V28-L67 HydrophobicContact CB-CB 4.3Å; V28-L67 PolarHBondContact N-O 3.06Å; V28-L67 PolarHBondContact O-N 3.16Å; L30-L67 HydrophobicContact CD1-CB 4.25Å; L30-L67 HydrophobicContact CG-CB 4.38Å; L42-L67 HydrophobicContact CD1-CD2 3.95Å; L42-L67 HydrophobicContact CD2-CD1 3.94Å; L42-L67 HydrophobicContact CD2-CD2 4.37Å; A52-L67 HydrophobicContact CB-CD1 4.11Å; V54-L67 HydrophobicContact CB-CD1 4.33Å; L67-V69 HydrophobicContact CD2-CG2 3.97Å; L67-V69 HydrophobicContact CG-CG2 3.89Å; L67-I115 HydrophobicContact CD2-CD1 4.36Å
68H95.8Very high94.9Very high79 Ų7960.3 Ų60.337%0.36634%0.339SS..EExtended strand (participates in β ladder)trans-95.8113.5172.8-63.9-76.7000109.3S26 A52 N53S26-H68 WeakPolarHBondContact O-CA 3.44Å; A52-H68 WeakPolarHBondContact CA-O 3.49Å; N53-H68 HydrophobicContact CB-CB 4.19Å; N53-H68 PolarHBondContact N-O 2.8Å; N53-H68 PolarHBondContact OD1-N 2.81Å; N53-H68 PolarHBondContact OD1-O 2.97Å
69V96.2Very high94.6Very high0 Ų065.6 Ų65.60%037%0.367CS..EExtended strand (participates in β ladder)trans-104.8124.4176.9-172.30000107.9L14 Y16 S25 S26 F50 L67 L86L14-V69 HydrophobicContact CD1-CB 3.93Å; L14-V69 HydrophobicContact CD1-CG1 4.28Å; L14-V69 HydrophobicContact CD1-CG2 3.82Å; Y16-V69 WeakPolarHBondContact OH-CB 3.49Å; Y16-V69 VanDerWaalsContact OH-CG1 3.29Å; Y16-V69 WeakPolarHBondContact OH-CG1 3.31Å; Y16-V69 PolarHBondContact OH-O 2.94Å; S25-V69 WeakPolarHBondContact CA-O 3.35Å; S26-V69 PolarHBondContact N-O 3Å; S26-V69 PolarHBondContact O-N 2.89Å; F50-V69 HydrophobicContact CB-CG1 4.29Å; F50-V69 HydrophobicContact CD1-CG1 4.22Å; L67-V69 HydrophobicContact CD2-CG2 3.97Å; L67-V69 HydrophobicContact CG-CG2 3.89Å; V69-L86 HydrophobicContact CB-CD2 4.43Å; V69-L86 HydrophobicContact CG1-CD1 4.34Å; V69-L86 HydrophobicContact CG1-CD2 3.78Å; V69-L86 HydrophobicContact CG2-CD2 3.72Å
70R96.1Very high94.3Very high99 Ų9971.6 Ų71.637%0.37439%0.393SS..EExtended strand (participates in β ladder)trans-105.9126.2176.4-51.1-168.3-176.8108.1-4.8109R23 Q24 F50 L51R23-R70 HydrophobicContact CG-CB 4.32Å; Q24-R70 CarbonylContact O-C 3.59Å; Q24-R70 WeakPolarHBondContact O-CA 3.48Å; F50-R70 CarbonylContact C-O 3.55Å; F50-R70 WeakPolarHBondContact CA-O 3.34Å; L51-R70 HydrophobicContact CB-CB 4.34Å; L51-R70 PolarHBondContact N-O 2.82Å; L51-R70 PolarHBondContact O-N 2.79Å
71C96.4Very high93.9Very high3 Ų375.2 Ų75.22%0.0241%0.41CS..EExtended strand (participates in β ladder)trans-89.2124.8168.3-174.90000108.3Y16 R23 Q24 F50Y16-C71 HydrophobicContact CD1-CB 3.73Å; Y16-C71 HydrophobicContact CD2-CB 4.2Å; Y16-C71 HydrophobicContact CE1-CB 3.58Å; Y16-C71 HydrophobicContact CE2-CB 4.08Å; Y16-C71 HydrophobicContact CG-CB 4.03Å; R23-C71 WeakPolarHBondContact CA-O 3.44Å; R23-C71 WeakPolarHBondContact CG-O 3.4Å; Q24-C71 PolarHBondContact N-O 3.25Å; Q24-C71 PolarHBondContact O-N 3.49Å; F50-C71 HydrophobicContact CD1-CB 4.22Å; F50-C71 HydrophobicContact CE1-CB 4.11Å
72L96.5Very high93.7Very high41 Ų4173.9 Ų73.922%0.21540%0.397CS..PPolyproline II helixtrans-76.2155174.9-68.9-177.5000110.9R23 S48 L49 L51R23-L72 HydrophobicContact CG-CD2 4.46Å; S48-L72 WeakPolarHBondContact O-CD1 3.4Å; L49-L72 WeakPolarHBondContact CD1-O 3.29Å; L49-L72 PolarHBondContact O-N 2.85Å; L51-L72 HydrophobicContact CD1-CD1 3.98Å; L51-L72 HydrophobicContact CD1-CD2 3.78Å; L51-L72 HydrophobicContact CD1-CG 4.07Å; L51-L72 HydrophobicContact CG-CD1 4.04Å; L51-L72 HydrophobicContact CG-CD2 4.36Å; L51-L72 HydrophobicContact CG-CG 4.13Å
73P95.8Very high93.5Very high69 Ų6976.3 Ų76.345%0.44840%0.395SS..PPolyproline II helixtrans-55.1139.4174.4-2533.9000112.4F20 D21F20-P73 VanDerWaalsContact O-CA 3.29Å; F20-P73 WeakPolarHBondContact O-CA 3.24Å; D21-P73 WeakPolarHBondContact O-CB 3.25Å
74F94.6Very high93.4Very high42 Ų4273.7 Ų73.718%0.18438%0.382CS..  trans-152.1159.8173.773.5-76.8000111.3F20 L49 F76 Y82 F119F20-F74 HydrophobicContact CB-CD1 4.04Å; F20-F74 HydrophobicContact CB-CE1 3.68Å; F20-F74 HydrophobicContact CB-CZ 4.11Å; F20-F74 HydrophobicContact CD1-CE1 4.08Å; F20-F74 HydrophobicContact CD1-CZ 4.35Å; F20-F74 HydrophobicContact CD2-CZ 4.4Å; F20-F74 AromaticContact CG-CE1 3.91Å; F20-F74 HydrophobicContact CG-CE1 3.91Å; F20-F74 HydrophobicContact CG-CZ 4.03Å; F20-F74 PolarHBondContact O-N 2.92Å; L49-F74 HydrophobicContact CD1-CB 3.91Å; L49-F74 HydrophobicContact CD1-CD1 3.65Å; L49-F74 HydrophobicContact CD1-CE1 4.39Å; L49-F74 HydrophobicContact CD1-CG 3.92Å; F74-F76 HydrophobicContact CE2-CB 4Å; F74-F76 AromaticContact CE2-CD2 3.83Å; F74-F76 HydrophobicContact CE2-CD2 3.83Å; F74-F76 HydrophobicContact CE2-CG 4.41Å; F74-F76 HydrophobicContact CZ-CB 4.4Å; F74-F76 AromaticContact CZ-CD2 3.86Å; F74-F76 HydrophobicContact CZ-CD2 3.86Å; F74-F76 PolarHBondContact O-N 2.82Å; F74-Y82 HydrophobicContact CD2-CE1 4.26Å; F74-Y82 HydrophobicContact CE2-CD1 4.37Å; F74-Y82 AromaticContact CE2-CE1 3.54Å; F74-Y82 HydrophobicContact CE2-CE1 3.54Å; F74-Y82 AromaticContact CE2-CZ 3.72Å; F74-Y82 HydrophobicContact CZ-CE1 4.32Å; F74-F119 HydrophobicContact CE1-CD1 4.17Å; F74-F119 AromaticContact CE1-CE1 3.64Å; F74-F119 HydrophobicContact CE1-CE1 3.64Å; F74-F119 AromaticContact CE1-CZ 3.97Å; F74-F119 HydrophobicContact CE1-CZ 3.97Å; F74-F119 AromaticContact CZ-CD1 3.99Å; F74-F119 HydrophobicContact CZ-CD1 3.99Å; F74-F119 HydrophobicContact CZ-CD2 4.49Å; F74-F119 AromaticContact CZ-CE1 3.75Å; F74-F119 HydrophobicContact CZ-CE1 3.75Å; F74-F119 HydrophobicContact CZ-CE2 4.24Å; F74-F119 HydrophobicContact CZ-CG 4.36Å; F74-F119 AromaticContact CZ-CZ 3.87Å; F74-F119 HydrophobicContact CZ-CZ 3.87Å
75T93.3Very high93.4Very high136 Ų13675 Ų7583%0.83438%0.382SS*.  trans-78.7112.4172.2-52.30000109.3
76F91.2Very high93.4Very high82 Ų8271.2 Ų71.236%0.3637%0.365SS..  trans-79.7127.6177-175.5-93000111.1F20 F74 A78 Y82 F119F20-F76 HydrophobicContact CD2-CB 3.45Å; F20-F76 VanDerWaalsContact CD2-CB 3.45Å; F20-F76 HydrophobicContact CD2-CD1 4.42Å; F20-F76 AromaticContact CD2-CD2 3.69Å; F20-F76 HydrophobicContact CD2-CD2 3.69Å; F20-F76 AromaticContact CD2-CG 3.6Å; F20-F76 HydrophobicContact CD2-CG 3.6Å; F20-F76 HydrophobicContact CE2-CB 4.02Å; F20-F76 HydrophobicContact CE2-CD1 4.16Å; F20-F76 AromaticContact CE2-CD2 3.49Å; F20-F76 HydrophobicContact CE2-CD2 3.49Å; F20-F76 VanDerWaalsContact CE2-CD2 3.49Å; F20-F76 AromaticContact CE2-CE2 3.94Å; F20-F76 HydrophobicContact CE2-CE2 3.94Å; F20-F76 AromaticContact CE2-CG 3.62Å; F20-F76 HydrophobicContact CE2-CG 3.62Å; F20-F76 HydrophobicContact CE2-CZ 4.45Å; F20-F76 HydrophobicContact CG-CB 4.36Å; F20-F76 HydrophobicContact CZ-CD2 4.3Å; F20-F76 HydrophobicContact CZ-CE2 4.46Å; F74-F76 HydrophobicContact CE2-CB 4Å; F74-F76 AromaticContact CE2-CD2 3.83Å; F74-F76 HydrophobicContact CE2-CD2 3.83Å; F74-F76 HydrophobicContact CE2-CG 4.41Å; F74-F76 HydrophobicContact CZ-CB 4.4Å; F74-F76 AromaticContact CZ-CD2 3.86Å; F74-F76 HydrophobicContact CZ-CD2 3.86Å; F74-F76 PolarHBondContact O-N 2.82Å; F76-A78 HydrophobicContact CE1-CB 4.22Å; F76-Y82 WeakPolarHBondContact CA-OH 3.49Å; F76-Y82 HydrophobicContact CD2-CD2 4.2Å; F76-Y82 AromaticContact CD2-CE2 3.56Å; F76-Y82 HydrophobicContact CD2-CE2 3.56Å; F76-Y82 AromaticContact CD2-CZ 3.87Å; F76-Y82 AromaticContact CE2-CD2 3.61Å; F76-Y82 HydrophobicContact CE2-CD2 3.61Å; F76-Y82 AromaticContact CE2-CE2 3.34Å; F76-Y82 HydrophobicContact CE2-CE2 3.34Å; F76-Y82 HydrophobicContact CG-CE2 4.34Å; F76-Y82 HydrophobicContact CZ-CD2 4.26Å; F76-Y82 AromaticContact CZ-CE2 3.98Å; F76-Y82 HydrophobicContact CZ-CE2 3.98Å; F76-F119 HydrophobicContact CE2-CB 3.92Å; F76-F119 HydrophobicContact CE2-CG 4.46Å
77D90.9Very high93.4Very high73 Ų7368.8 Ų68.839%0.3936%0.355SS..  trans-113.4111.9175.4179.8-2.7000108.9N79 K80 Y82D77-N79 PolarHBondContact O-N 2.97Å; D77-N79 VanDerWaalsContact O-N 3.12Å; D77-N79 WeakPolarHBondContact OD1-CB 3.29Å; D77-N79 PolarHBondContact OD1-N 3.45Å; D77-N79 PolarHBondContact OD1-ND2 2.77Å; D77-N79 VanDerWaalsContact OD1-ND2 3.17Å; D77-K80 HydrophobicContact CB-CB 4.07Å; D77-K80 WeakPolarHBondContact O-CB 3.49Å; D77-K80 PolarHBondContact O-N 3.05Å; D77-Y82 PolarHBondContact N-OH 3.23Å; D77-Y82 WeakPolarHBondContact O-CE2 3.49Å
78A87.8Confident93.4Very high85 Ų8568.7 Ų68.770%0.70235%0.354SS*.THydrogen-bonded Turntrans-62.8-17.6-178.400000113.8F76F76-A78 HydrophobicContact CE1-CB 4.22Å
79N89.6Confident93.5Very high154 Ų15465 Ų6582%0.82434%0.337SS*.THydrogen-bonded Turntrans-86.6-11.1176.7-54-62.9000112.8D77D77-N79 PolarHBondContact O-N 2.97Å; D77-N79 VanDerWaalsContact O-N 3.12Å; D77-N79 WeakPolarHBondContact OD1-CB 3.29Å; D77-N79 PolarHBondContact OD1-N 3.45Å; D77-N79 PolarHBondContact OD1-ND2 2.77Å; D77-N79 VanDerWaalsContact OD1-ND2 3.17Å
80K90.7Very high93.5Very high126 Ų12665.7 Ų65.755%0.54834%0.34SS..SBendtrans-91.5131.9-179.6-171.5177.7178.8-177.50110.2D77 Y82D77-K80 HydrophobicContact CB-CB 4.07Å; D77-K80 WeakPolarHBondContact O-CB 3.49Å; D77-K80 PolarHBondContact O-N 3.05Å; K80-Y82 HydrophobicContact CB-CE2 4.02Å; K80-Y82 HydrophobicContact CD-CE1 4.09Å; K80-Y82 HydrophobicContact CG-CE2 4.47Å; K80-Y82 WeakPolarHBondContact O-CD2 3.38Å; K80-Y82 WeakPolarHBondContact O-CE2 3.47Å
81Q87.2Confident93.4Very high148 Ų14861.7 Ų61.769%0.69233%0.326SS*.  trans-78.1128.2168.9-171174.6-0.200110.1D83Q81-D83 VanDerWaalsContact CD-OD2 3.23Å; Q81-D83 WeakPolarHBondContact CG-OD1 3.2Å; Q81-D83 VanDerWaalsContact NE2-CG 3.27Å; Q81-D83 PolarHBondContact NE2-OD1 2.87Å; Q81-D83 PolarHBondContact NE2-OD2 2.83Å
82Y89.7Confident93.3Very high31 Ų3162.8 Ų62.812%0.12234%0.335CS..  trans-108.174.2-178.1-70.8-82.8000111.3F74 F76 D77 K80 H84 F119F74-Y82 HydrophobicContact CD2-CE1 4.26Å; F74-Y82 HydrophobicContact CE2-CD1 4.37Å; F74-Y82 AromaticContact CE2-CE1 3.54Å; F74-Y82 HydrophobicContact CE2-CE1 3.54Å; F74-Y82 AromaticContact CE2-CZ 3.72Å; F74-Y82 HydrophobicContact CZ-CE1 4.32Å; F76-Y82 WeakPolarHBondContact CA-OH 3.49Å; F76-Y82 HydrophobicContact CD2-CD2 4.2Å; F76-Y82 AromaticContact CD2-CE2 3.56Å; F76-Y82 HydrophobicContact CD2-CE2 3.56Å; F76-Y82 AromaticContact CD2-CZ 3.87Å; F76-Y82 AromaticContact CE2-CD2 3.61Å; F76-Y82 HydrophobicContact CE2-CD2 3.61Å; F76-Y82 AromaticContact CE2-CE2 3.34Å; F76-Y82 HydrophobicContact CE2-CE2 3.34Å; F76-Y82 HydrophobicContact CG-CE2 4.34Å; F76-Y82 HydrophobicContact CZ-CD2 4.26Å; F76-Y82 AromaticContact CZ-CE2 3.98Å; F76-Y82 HydrophobicContact CZ-CE2 3.98Å; D77-Y82 PolarHBondContact N-OH 3.23Å; D77-Y82 WeakPolarHBondContact O-CE2 3.49Å; K80-Y82 HydrophobicContact CB-CE2 4.02Å; K80-Y82 HydrophobicContact CD-CE1 4.09Å; K80-Y82 HydrophobicContact CG-CE2 4.47Å; K80-Y82 WeakPolarHBondContact O-CD2 3.38Å; K80-Y82 WeakPolarHBondContact O-CE2 3.47Å; Y82-H84 AromaticContact CD1-CD2 3.93Å; Y82-H84 AromaticContact CD1-NE2 3.6Å; Y82-H84 PolarHBondContact O-N 2.89Å; Y82-F119 HydrophobicContact CD1-CD2 4.22Å; Y82-F119 AromaticContact CD1-CE2 3.98Å; Y82-F119 HydrophobicContact CD1-CE2 3.98Å; Y82-F119 HydrophobicContact CD2-CD2 4.49Å; Y82-F119 AromaticContact CG-CD2 3.89Å; Y82-F119 HydrophobicContact CG-CD2 3.89Å; Y82-F119 HydrophobicContact CG-CE2 4.08Å
83D91.2Very high93.2Very high118 Ų11861.1 Ų61.163%0.63133%0.327SS*.  trans-85.250.1179.8-65.6-27.4000112.9Q81Q81-D83 VanDerWaalsContact CD-OD2 3.23Å; Q81-D83 WeakPolarHBondContact CG-OD1 3.2Å; Q81-D83 VanDerWaalsContact NE2-CG 3.27Å; Q81-D83 PolarHBondContact NE2-OD1 2.87Å; Q81-D83 PolarHBondContact NE2-OD2 2.83Å
84H94.8Very high93Very high26 Ų2660.1 Ų60.112%0.1232%0.32CS..  trans-76.6143.6-179-65.2-78.1000111.9S45 D46 F50 Y82 V117 F119S45-H84 WeakPolarHBondContact OG-CA 3.42Å; S45-H84 WeakPolarHBondContact OG-CB 3.37Å; S45-H84 PolarHBondContact OG-ND1 3.25Å; D46-H84 IonicContact OD2-CE1 2.76Å; F50-H84 HydrophobicContact CE2-CB 3.66Å; F50-H84 AromaticContact CE2-CG 3.69Å; F50-H84 AromaticContact CE2-ND1 3.8Å; F50-H84 HydrophobicContact CZ-CB 3.89Å; Y82-H84 AromaticContact CD1-CD2 3.93Å; Y82-H84 AromaticContact CD1-NE2 3.6Å; Y82-H84 PolarHBondContact O-N 2.89Å; H84-V117 HydrophobicContact CB-CB 4.02Å; H84-V117 HydrophobicContact CB-CG2 4.44Å; H84-V117 WeakPolarHBondContact O-CB 3.38Å; H84-V117 PolarHBondContact O-N 3.38Å; H84-F119 AromaticContact CD2-CE2 3.8Å
85K94.9Very high92.7Very high108 Ų10865.4 Ų65.447%0.4735%0.35SS..EExtended strand (participates in β ladder)trans-143.2145.1178.762.6-175.4178.5-176.80111.5T44 S45 V87 T114 I115T44-K85 WeakPolarHBondContact CA-O 3.33Å; S45-K85 PolarHBondContact N-O 3.06Å; S45-K85 PolarHBondContact OG-N 2.83Å; S45-K85 VanDerWaalsContact OG-N 3.07Å; S45-K85 PolarHBondContact OG-O 3.39Å; K85-V87 HydrophobicContact CD-CG2 4.38Å; K85-V87 HydrophobicContact CG-CG2 4.36Å; K85-T114 HydrophobicContact CB-CG2 4.13Å; K85-T114 HydrophobicContact CD-CG2 4.28Å; K85-I115 WeakPolarHBondContact CA-O 3.42Å
86L96.3Very high92.4Very high2 Ų265.4 Ų65.41%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-103.8137.6163.7-67.691.9000108.6L14 L42 R43 V69 I115 V117L14-L86 HydrophobicContact CD1-CD1 4.11Å; L42-L86 HydrophobicContact CD1-CB 4.26Å; L42-L86 HydrophobicContact CD1-CD2 4.14Å; L42-L86 HydrophobicContact CD2-CD2 4.1Å; L42-L86 HydrophobicContact CG-CD2 4.41Å; R43-L86 CarbonylContact O-C 3.57Å; R43-L86 WeakPolarHBondContact O-CA 3.17Å; V69-L86 HydrophobicContact CB-CD2 4.43Å; V69-L86 HydrophobicContact CG1-CD1 4.34Å; V69-L86 HydrophobicContact CG1-CD2 3.78Å; V69-L86 HydrophobicContact CG2-CD2 3.72Å; L86-I115 HydrophobicContact CB-CB 4.23Å; L86-I115 PolarHBondContact N-O 2.82Å; L86-I115 PolarHBondContact O-N 3.42Å; L86-V117 HydrophobicContact CD1-CG2 3.33Å
87V96.4Very high92.2Very high19 Ų1963.6 Ų63.612%0.11534%0.338CS..EExtended strand (participates in β ladder)trans-121.2117.9179.7-174.70000107.9R43 K85 L89 E112 L113R43-V87 PolarHBondContact N-O 2.91Å; R43-V87 PolarHBondContact O-N 2.8Å; K85-V87 HydrophobicContact CD-CG2 4.38Å; K85-V87 HydrophobicContact CG-CG2 4.36Å; V87-L89 HydrophobicContact CG1-CD2 3.73Å; V87-E112 HydrophobicContact CG1-CB 4.09Å; V87-E112 HydrophobicContact CG1-CG 4.46Å; V87-L113 CarbonylContact C-O 3.53Å; V87-L113 WeakPolarHBondContact CA-O 3.35Å
88V96.6Very high92.1Very high1 Ų165.1 Ų65.11%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-92.5108172.2-176.60000107.5L7 L30 I40 L42 L113 I115L7-V88 HydrophobicContact CD2-CG1 3.93Å; L30-V88 HydrophobicContact CD1-CG1 4.4Å; L30-V88 HydrophobicContact CD2-CG2 4.19Å; I40-V88 HydrophobicContact CB-CG1 4.26Å; I40-V88 HydrophobicContact CG2-CG1 4.31Å; L42-V88 HydrophobicContact CD1-CG2 3.69Å; V88-L113 HydrophobicContact CB-CB 4.38Å; V88-L113 PolarHBondContact N-O 2.81Å; V88-L113 PolarHBondContact O-N 2.84Å; V88-I115 HydrophobicContact CG2-CD1 3.99Å
89L96.3Very high92.3Very high3 Ų364.5 Ų64.52%0.01634%0.339CS..EExtended strand (participates in β ladder)trans-81.2138.6169-48.8-177.1000108.5I40 K41 R43 V87 W104 W110 R111 E112I40-L89 CarbonylContact C-O 3.58Å; I40-L89 VanDerWaalsContact CA-O 3.28Å; I40-L89 WeakPolarHBondContact CA-O 3.41Å; K41-L89 HydrophobicContact CB-CB 4.36Å; K41-L89 PolarHBondContact N-O 3.43Å; K41-L89 WeakPolarHBondContact O-CB 3.37Å; K41-L89 PolarHBondContact O-N 2.8Å; R43-L89 HydrophobicContact CG-CD1 4.43Å; V87-L89 HydrophobicContact CG1-CD2 3.73Å; L89-W104 HydrophobicContact CB-CH2 3.58Å; L89-W104 HydrophobicContact CB-CZ2 4.28Å; L89-W104 HydrophobicContact CB-CZ3 4.17Å; L89-W110 HydrophobicContact CB-CG 4.45Å; L89-R111 CarbonylContact C-O 3.59Å; L89-R111 WeakPolarHBondContact CA-O 3.45Å; L89-E112 HydrophobicContact CD2-CB 4.35Å; L89-E112 HydrophobicContact CD2-CG 3.61Å; L89-E112 WeakPolarHBondContact CD2-OE1 2.94Å
90Y96.4Very high92.5Very high14 Ų1457.5 Ų57.56%0.05530%0.303CS..EExtended strand (participates in β ladder)trans-149.6149.9179.771.5-77.9000113.7F5 L7 V38 A39 R111 L113F5-Y90 HydrophobicContact CD2-CD2 4.01Å; F5-Y90 HydrophobicContact CD2-CE2 4.07Å; F5-Y90 AromaticContact CE2-CD2 3.89Å; F5-Y90 HydrophobicContact CE2-CD2 3.89Å; F5-Y90 AromaticContact CE2-CE2 3.92Å; F5-Y90 HydrophobicContact CE2-CE2 3.92Å; L7-Y90 HydrophobicContact CB-CD1 4.49Å; L7-Y90 HydrophobicContact CB-CD2 3.78Å; L7-Y90 HydrophobicContact CB-CE2 3.89Å; L7-Y90 HydrophobicContact CB-CG 4.09Å; L7-Y90 HydrophobicContact CD2-CD1 4.26Å; L7-Y90 HydrophobicContact CD2-CD2 4.45Å; L7-Y90 HydrophobicContact CD2-CG 3.96Å; V38-Y90 HydrophobicContact CG1-CD2 4.05Å; V38-Y90 HydrophobicContact CG1-CG 4.34Å; A39-Y90 VanDerWaalsContact O-CA 3.24Å; A39-Y90 WeakPolarHBondContact O-CA 3.38Å; Y90-R111 HydrophobicContact CD1-CB 3.83Å; Y90-R111 WeakPolarHBondContact CD1-O 3.42Å; Y90-R111 HydrophobicContact CD2-CB 4.22Å; Y90-R111 HydrophobicContact CE1-CB 3.26Å; Y90-R111 HydrophobicContact CE2-CB 3.74Å; Y90-R111 HydrophobicContact CE2-CG 4.31Å; Y90-R111 HydrophobicContact CG-CB 4.27Å; Y90-R111 PolarHBondContact N-O 2.66Å; Y90-R111 PolarHBondContact O-N 2.81Å; Y90-R111 WeakPolarHBondContact OH-CB 3.47Å; Y90-R111 VanDerWaalsContact OH-CD 3.31Å; Y90-R111 WeakPolarHBondContact OH-CD 3.35Å; Y90-L113 HydrophobicContact CD1-CD1 4Å; Y90-L113 HydrophobicContact CD1-CG 4.24Å; Y90-L113 HydrophobicContact CE1-CD1 3.64Å; Y90-L113 HydrophobicContact CE1-CG 3.64Å
91I95.4Very high92.6Very high15 Ų1553.7 Ų53.78%0.07730%0.295CS..EExtended strand (participates in β ladder)trans-144.5164.4179.262.4173.9000110.9V38 A39 A93 I103 W104 V107 A109 W110V38-I91 CarbonylContact C-O 3.59Å; V38-I91 VanDerWaalsContact CA-O 3.25Å; V38-I91 WeakPolarHBondContact CA-O 3.47Å; V38-I91 WeakPolarHBondContact CG1-O 3.36Å; A39-I91 HydrophobicContact CB-CD1 4.46Å; A39-I91 HydrophobicContact CB-CG1 3.91Å; A39-I91 PolarHBondContact N-O 2.76Å; A39-I91 PolarHBondContact O-N 2.92Å; I91-A93 PolarHBondContact O-N 3.16Å; I91-I103 HydrophobicContact CD1-CG2 3.57Å; I91-I103 HydrophobicContact CG1-CG2 4.44Å; I91-W104 HydrophobicContact CG2-CH2 4.22Å; I91-V107 HydrophobicContact CD1-CB 4.19Å; I91-V107 HydrophobicContact CD1-CG1 3.95Å; I91-V107 HydrophobicContact CD1-CG2 3.16Å; I91-V107 HydrophobicContact CG2-CG1 4Å; I91-A109 WeakPolarHBondContact CG2-O 3.41Å; I91-W110 HydrophobicContact CG2-CB 3.69Å
92A94.5Very high92.9Very high26 Ų2651.3 Ų51.322%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-66.6124162.800000109.5F5 K36F5-A92 HydrophobicContact CB-CB 4.3Å; F5-A92 HydrophobicContact CD1-CB 3.61Å; F5-A92 HydrophobicContact CD2-CB 4.43Å; F5-A92 HydrophobicContact CE1-CB 3.93Å; F5-A92 HydrophobicContact CG-CB 3.88Å; F5-A92 HydrophobicContact CZ-CB 4.47Å; K36-A92 HydrophobicContact CD-CB 4.01Å
93A93.8Very high93.1Very high6 Ų649.9 Ų49.95%0.0528%0.278CS..PPolyproline II helixtrans-69.3137171.800000109.6R37 A39 L58 I91 I103R37-A93 HydrophobicContact CB-CB 4.04Å; R37-A93 HydrophobicContact CG-CB 3.82Å; R37-A93 PolarHBondContact O-N 3.46Å; A39-A93 HydrophobicContact CB-CB 4.3Å; L58-A93 HydrophobicContact CD2-CB 3.88Å; I91-A93 PolarHBondContact O-N 3.16Å; A93-I103 HydrophobicContact CB-CD1 3.94Å
94P92Very high93.3Very high47 Ų4745.7 Ų45.731%0.30525%0.254SS..PPolyproline II helixtrans-59144.9166.1-20.933.2000111.2D96 Q97P94-D96 WeakPolarHBondContact CB-OD1 3.43Å; P94-D96 PolarHBondContact O-N 2.96Å; P94-Q97 HydrophobicContact CB-CB 4.44Å; P94-Q97 HydrophobicContact CB-CG 4.38Å; P94-Q97 PolarHBondContact O-N 3.4Å
95D87.1Confident93.2Very high153 Ų15352.2 Ų52.282%0.81828%0.282SS*.THydrogen-bonded Turntrans-70.2-23-177.3-66.1-39.4000112.3
96D88.1Confident93.1Very high136 Ų13651.8 Ų51.873%0.72729%0.289SS*.THydrogen-bonded Turntrans-85.5-8.5-179.261.7-48.5000114.1P94P94-D96 WeakPolarHBondContact CB-OD1 3.43Å; P94-D96 PolarHBondContact O-N 2.96Å
97Q85.6Confident92.9Very high45 Ų4553.3 Ų53.321%0.2130%0.298CS..  trans-115.8127.3-175.9-63.9-166.6-18.800112.4R37 P94 I103R37-Q97 PolarHBondContact NH1-O 3.36Å; P94-Q97 HydrophobicContact CB-CB 4.44Å; P94-Q97 HydrophobicContact CB-CG 4.38Å; P94-Q97 PolarHBondContact O-N 3.4Å; Q97-I103 HydrophobicContact CB-CD1 3.9Å; Q97-I103 HydrophobicContact CB-CG1 3.63Å; Q97-I103 HydrophobicContact CG-CG1 4.4Å
98S89.2Confident92.8Very high105 Ų10558.7 Ų58.773%0.73433%0.331SS*.  trans-104.7-12175.4580000113.6L58L58-S98 WeakPolarHBondContact CD1-O 3.46Å
99D92.6Very high92.6Very high71 Ų7162.2 Ų62.238%0.3836%0.36SS..  trans-100.4112.4176.6-171.6-3000110.9A101 E102 I103D99-A101 PolarHBondContact O-N 2.88Å; D99-A101 WeakPolarHBondContact OD1-CB 3.4Å; D99-A101 PolarHBondContact OD1-N 3.39Å; D99-E102 HydrophobicContact CB-CB 4.21Å; D99-E102 HydrophobicContact CB-CG 4.03Å; D99-E102 PolarHBondContact O-N 3.49Å; D99-I103 WeakPolarHBondContact O-CG1 3.42Å; D99-I103 PolarHBondContact O-N 2.84Å; D99-I103 VanDerWaalsContact O-N 3.14Å
100A93.2Very high92.6Very high7 Ų767.2 Ų67.26%0.05838%0.379CS..Hα-helixtrans-59.5-34.117400000112.7V56 L58 E102 I103 W104V56-A100 HydrophobicContact CG1-CB 3.45Å; V56-A100 VanDerWaalsContact CG1-CB 3.45Å; L58-A100 HydrophobicContact CD2-CB 4.07Å; L58-A100 HydrophobicContact CG-CB 3.92Å; A100-E102 VanDerWaalsContact C-N 3.31Å; A100-E102 PolarHBondContact O-N 3.42Å; A100-I103 PolarHBondContact O-N 2.92Å; A100-W104 PolarHBondContact O-N 2.78Å; A100-W104 VanDerWaalsContact O-N 3.11Å
101A93.5Very high92.5Very high47 Ų4772.5 Ų72.539%0.38840%0.399SS..Hα-helixtrans-65.5-36.2-179.500000111.9D99D99-A101 PolarHBondContact O-N 2.88Å; D99-A101 WeakPolarHBondContact OD1-CB 3.4Å; D99-A101 PolarHBondContact OD1-N 3.39Å
102E93.8Very high92.5Very high97 Ų9776.9 Ų76.945%0.45342%0.419SS..Hα-helixtrans-71.6-42.9175-67.4-171.1155.800112.2D99 A100 W104 K105D99-E102 HydrophobicContact CB-CB 4.21Å; D99-E102 HydrophobicContact CB-CG 4.03Å; D99-E102 PolarHBondContact O-N 3.49Å; A100-E102 VanDerWaalsContact C-N 3.31Å; A100-E102 PolarHBondContact O-N 3.42Å; E102-W104 PolarHBondContact O-N 2.81Å; E102-K105 WeakPolarHBondContact O-CB 2.99Å; E102-K105 PolarHBondContact O-N 2.74Å
103I94.3Very high92.5Very high1 Ų177.6 Ų77.61%0.00542%0.419CS..Hα-helixtrans-51.5-47.7174.5-69.7166.4000109.8A39 L58 I91 A93 Q97 D99 A100 K105 T106 V107A39-I103 HydrophobicContact CB-CD1 4.22Å; A39-I103 HydrophobicContact CB-CG2 3.94Å; L58-I103 HydrophobicContact CD2-CD1 3.84Å; I91-I103 HydrophobicContact CD1-CG2 3.57Å; I91-I103 HydrophobicContact CG1-CG2 4.44Å; A93-I103 HydrophobicContact CB-CD1 3.94Å; Q97-I103 HydrophobicContact CB-CD1 3.9Å; Q97-I103 HydrophobicContact CB-CG1 3.63Å; Q97-I103 HydrophobicContact CG-CG1 4.4Å; D99-I103 WeakPolarHBondContact O-CG1 3.42Å; D99-I103 PolarHBondContact O-N 2.84Å; D99-I103 VanDerWaalsContact O-N 3.14Å; A100-I103 PolarHBondContact O-N 2.92Å; I103-K105 PolarHBondContact O-N 2.85Å; I103-T106 PolarHBondContact O-N 3.19Å; I103-T106 PolarHBondContact O-OG1 2.86Å; I103-V107 HydrophobicContact CG2-CG2 4.11Å; I103-V107 WeakPolarHBondContact O-CG2 3.41Å
104W94.3Very high92.6Very high31 Ų3180.9 Ų80.912%0.11744%0.438CS..Hα-helixtrans-67.7-6.3-178.2-75.4112.3000115.4I40 K41 L89 I91 A100 E102 V107 W110I40-W104 PolarHBondContact O-NE1 2.86Å; K41-W104 HydrophobicContact CB-CD2 3.85Å; K41-W104 HydrophobicContact CB-CE3 4.38Å; K41-W104 HydrophobicContact CB-CG 4.34Å; K41-W104 HydrophobicContact CB-CH2 4.08Å; K41-W104 HydrophobicContact CB-CZ2 3.51Å; K41-W104 HydrophobicContact CB-CZ3 4.47Å; K41-W104 HydrophobicContact CD-CD2 3.95Å; K41-W104 HydrophobicContact CD-CE3 4.17Å; K41-W104 HydrophobicContact CD-CG 4.1Å; L89-W104 HydrophobicContact CB-CH2 3.58Å; L89-W104 HydrophobicContact CB-CZ2 4.28Å; L89-W104 HydrophobicContact CB-CZ3 4.17Å; I91-W104 HydrophobicContact CG2-CH2 4.22Å; A100-W104 PolarHBondContact O-N 2.78Å; A100-W104 VanDerWaalsContact O-N 3.11Å; E102-W104 PolarHBondContact O-N 2.81Å; W104-V107 HydrophobicContact CE3-CB 4.3Å; W104-V107 HydrophobicContact CE3-CG1 4.2Å; W104-V107 HydrophobicContact CZ3-CG1 4.06Å; W104-W110 HydrophobicContact CH2-CB 4.24Å; W104-W110 HydrophobicContact CZ3-CB 4.16Å
105K93.6Very high92.8Very high162 Ų16278.7 Ų78.770%0.70442%0.424SS*.Hα-helixtrans-81-28174.8-62.9173.2-173.51670112.8E102 I103E102-K105 WeakPolarHBondContact O-CB 2.99Å; E102-K105 PolarHBondContact O-N 2.74Å; I103-K105 PolarHBondContact O-N 2.85Å
106T92.5Very high93.3Very high100 Ų10077.8 Ų77.861%0.61341%0.413SS*.Hα-helixtrans-103.2-1.9-173.757.60000113.5I103I103-T106 PolarHBondContact O-N 3.19Å; I103-T106 PolarHBondContact O-OG1 2.86Å
107V92.6Very high93.6Very high34 Ų3471.7 Ų71.721%0.20638%0.381CS..  trans-86.1127.6-169.5171.70000111.9I91 I103 W104 A109 W110I91-V107 HydrophobicContact CD1-CB 4.19Å; I91-V107 HydrophobicContact CD1-CG1 3.95Å; I91-V107 HydrophobicContact CD1-CG2 3.16Å; I91-V107 HydrophobicContact CG2-CG1 4Å; I103-V107 HydrophobicContact CG2-CG2 4.11Å; I103-V107 WeakPolarHBondContact O-CG2 3.41Å; W104-V107 HydrophobicContact CE3-CB 4.3Å; W104-V107 HydrophobicContact CE3-CG1 4.2Å; W104-V107 HydrophobicContact CZ3-CG1 4.06Å; V107-A109 WeakPolarHBondContact CG1-O 3.06Å; V107-W110 HydrophobicContact CG1-CE3 4.13Å
108T92.8Very high94Very high132 Ų13272.8 Ų72.881%0.8139%0.386SS*.  trans-108.4-22.7178.554.70000113.7
109A93.5Very high94.3Very high75 Ų7569.2 Ų69.262%0.6236%0.357SS*.  trans-134.5136.7-179.300000110.8I91 V107I91-A109 WeakPolarHBondContact CG2-O 3.41Å; V107-A109 WeakPolarHBondContact CG1-O 3.06Å
110W95.2Very high94.2Very high107 Ų10770.3 Ų70.341%0.40536%0.358SS..  trans-141.7163.4179.955.179.5000111.7L89 I91 W104 V107 E112L89-W110 HydrophobicContact CB-CG 4.45Å; I91-W110 HydrophobicContact CG2-CB 3.69Å; W104-W110 HydrophobicContact CH2-CB 4.24Å; W104-W110 HydrophobicContact CZ3-CB 4.16Å; V107-W110 HydrophobicContact CG1-CE3 4.13Å; W110-E112 PolarHBondContact NE1-OE1 3.46Å
111R95.3Very high93.9Very high125 Ų12576.1 Ų76.147%0.47239%0.388SS..EExtended strand (participates in β ladder)trans-100.9156.6167.6-65.2-173.6176.1-167.7-1.9109.7F5 L89 Y90F5-R111 HydrophobicContact CE2-CG 4.48Å; L89-R111 CarbonylContact C-O 3.59Å; L89-R111 WeakPolarHBondContact CA-O 3.45Å; Y90-R111 HydrophobicContact CD1-CB 3.83Å; Y90-R111 WeakPolarHBondContact CD1-O 3.42Å; Y90-R111 HydrophobicContact CD2-CB 4.22Å; Y90-R111 HydrophobicContact CE1-CB 3.26Å; Y90-R111 HydrophobicContact CE2-CB 3.74Å; Y90-R111 HydrophobicContact CE2-CG 4.31Å; Y90-R111 HydrophobicContact CG-CB 4.27Å; Y90-R111 PolarHBondContact N-O 2.66Å; Y90-R111 PolarHBondContact O-N 2.81Å; Y90-R111 WeakPolarHBondContact OH-CB 3.47Å; Y90-R111 VanDerWaalsContact OH-CD 3.31Å; Y90-R111 WeakPolarHBondContact OH-CD 3.35Å
112E95.2Very high93.3Very high107 Ų10780.1 Ų80.150%0.540%0.399SS..EExtended strand (participates in β ladder)trans-126.6138.5-175.8-53-164.4162.100110.9V87 L89 W110V87-E112 HydrophobicContact CG1-CB 4.09Å; V87-E112 HydrophobicContact CG1-CG 4.46Å; L89-E112 HydrophobicContact CD2-CB 4.35Å; L89-E112 HydrophobicContact CD2-CG 3.61Å; L89-E112 WeakPolarHBondContact CD2-OE1 2.94Å; W110-E112 PolarHBondContact NE1-OE1 3.46Å
113L95.1Very high92.5Very high42 Ų4279.7 Ų79.722%0.2241%0.405CS..EExtended strand (participates in β ladder)trans-121.8123.8167.2-69.1159.7000107.7L7 V9 V87 V88 Y90L7-L113 HydrophobicContact CB-CD1 3.86Å; L7-L113 HydrophobicContact CD2-CD1 3.93Å; L7-L113 HydrophobicContact CG-CD1 3.95Å; L7-L113 WeakPolarHBondContact O-CD1 3.21Å; V9-L113 HydrophobicContact CG2-CB 3.85Å; V9-L113 HydrophobicContact CG2-CD1 3.54Å; V9-L113 HydrophobicContact CG2-CD2 4.48Å; V9-L113 HydrophobicContact CG2-CG 4.11Å; V87-L113 CarbonylContact C-O 3.53Å; V87-L113 WeakPolarHBondContact CA-O 3.35Å; V88-L113 HydrophobicContact CB-CB 4.38Å; V88-L113 PolarHBondContact N-O 2.81Å; V88-L113 PolarHBondContact O-N 2.84Å; Y90-L113 HydrophobicContact CD1-CD1 4Å; Y90-L113 HydrophobicContact CD1-CG 4.24Å; Y90-L113 HydrophobicContact CE1-CD1 3.64Å; Y90-L113 HydrophobicContact CE1-CG 3.64Å
114T95.9Very high91.4Very high75 Ų7588 Ų8846%0.4644%0.443SS..EExtended strand (participates in β ladder)trans-99.5126.4-179.5-59.90000109.8K85K85-T114 HydrophobicContact CB-CG2 4.13Å; K85-T114 HydrophobicContact CD-CG2 4.28Å
115I96.4Very high90.6Very high0 Ų091.9 Ų91.90%047%0.473CS..EExtended strand (participates in β ladder)trans-106.1118.2172.4-59.4162.7000107V9 A12 L14 V28 L67 K85 L86 V88V9-I115 HydrophobicContact CG1-CD1 3.77Å; V9-I115 HydrophobicContact CG1-CG1 3.69Å; A12-I115 WeakPolarHBondContact O-CA 3.43Å; L14-I115 HydrophobicContact CB-CG2 4.47Å; L14-I115 HydrophobicContact CD1-CG2 4.01Å; L14-I115 HydrophobicContact CG-CG2 3.74Å; V28-I115 HydrophobicContact CG1-CD1 4.05Å; V28-I115 HydrophobicContact CG2-CD1 4.39Å; L67-I115 HydrophobicContact CD2-CD1 4.36Å; K85-I115 WeakPolarHBondContact CA-O 3.42Å; L86-I115 HydrophobicContact CB-CB 4.23Å; L86-I115 PolarHBondContact N-O 2.82Å; L86-I115 PolarHBondContact O-N 3.42Å; V88-I115 HydrophobicContact CG2-CD1 3.99Å
116K96.2Very high89.5Confident135 Ų13588.1 Ų88.159%0.58747%0.472SS*.EExtended strand (participates in β ladder)trans-76.5146.7176.8-70.2-177178.2-176.60110.2A12 T13 L14A12-K116 PolarHBondContact O-N 3.41Å; T13-K116 CarbonylContact C-O 3.43Å; T13-K116 WeakPolarHBondContact CA-O 3.38Å; T13-K116 HydrophobicContact CG2-CB 4.32Å; L14-K116 PolarHBondContact N-O 3.27Å
117V96Very high88.6Confident8 Ų888.6 Ų88.65%0.04848%0.477CS..EExtended strand (participates in β ladder)trans-113.3130.6171.2-177.40000109L14 Y16 F50 H84 L86 F119L14-V117 HydrophobicContact CB-CG2 4.44Å; L14-V117 CarbonylContact O-C 3.52Å; L14-V117 WeakPolarHBondContact O-CA 3.43Å; Y16-V117 HydrophobicContact CD2-CG1 3.69Å; Y16-V117 HydrophobicContact CE2-CG1 3.71Å; F50-V117 HydrophobicContact CE1-CG1 3.91Å; F50-V117 HydrophobicContact CE1-CG2 4.44Å; F50-V117 HydrophobicContact CZ-CB 4.38Å; F50-V117 HydrophobicContact CZ-CG1 3.79Å; F50-V117 HydrophobicContact CZ-CG2 4.3Å; H84-V117 HydrophobicContact CB-CB 4.02Å; H84-V117 HydrophobicContact CB-CG2 4.44Å; H84-V117 WeakPolarHBondContact O-CB 3.38Å; H84-V117 PolarHBondContact O-N 3.38Å; L86-V117 HydrophobicContact CD1-CG2 3.33Å; V117-F119 HydrophobicContact CG1-CE2 4.41Å; V117-F119 HydrophobicContact CG1-CZ 4.24Å
118E93.8Very high87.6Confident68 Ų6892.8 Ų92.832%0.31851%0.505SS..EExtended strand (participates in β ladder)trans-123.2139.9177-67.8178.7-170.800109.8T13 L14 V15 Y16 K120T13-E118 HydrophobicContact CG2-CB 4.35Å; T13-E118 HydrophobicContact CG2-CG 3.81Å; L14-E118 PolarHBondContact O-N 3.37Å; V15-E118 WeakPolarHBondContact CA-O 3.45Å; V15-E118 HydrophobicContact CG2-CB 4.42Å; Y16-E118 PolarHBondContact N-O 3.19Å; E118-K120 WeakPolarHBondContact OE2-CE 3.49Å; E118-K120 IonicContact OE2-NZ 3.15Å; E118-K120 PolarHBondContact OE2-NZ 3Å
119F93.6Very high86.1Confident30 Ų3092.2 Ų92.213%0.13250%0.501CS..EExtended strand (participates in β ladder)trans-106.9124.7170.6-63.1-72.7000108.4Y16 F20 L49 F50 F74 F76 Y82 H84 V117Y16-F119 HydrophobicContact CD2-CE1 4.1Å; Y16-F119 HydrophobicContact CG-CE1 4.38Å; Y16-F119 WeakPolarHBondContact O-CA 3.24Å; F20-F119 AromaticContact CD1-CD1 3.99Å; F20-F119 HydrophobicContact CD1-CD1 3.99Å; F20-F119 HydrophobicContact CE1-CB 4.04Å; F20-F119 AromaticContact CE1-CD1 3.59Å; F20-F119 HydrophobicContact CE1-CD1 3.59Å; F20-F119 HydrophobicContact CE1-CG 4.25Å; F20-F119 HydrophobicContact CZ-CB 3.74Å; F20-F119 HydrophobicContact CZ-CD1 4.15Å; F20-F119 HydrophobicContact CZ-CG 4.36Å; L49-F119 HydrophobicContact CD2-CZ 4.19Å; F50-F119 HydrophobicContact CE1-CZ 4.35Å; F50-F119 AromaticContact CZ-CZ 3.92Å; F50-F119 HydrophobicContact CZ-CZ 3.92Å; F74-F119 HydrophobicContact CE1-CD1 4.17Å; F74-F119 AromaticContact CE1-CE1 3.64Å; F74-F119 HydrophobicContact CE1-CE1 3.64Å; F74-F119 AromaticContact CE1-CZ 3.97Å; F74-F119 HydrophobicContact CE1-CZ 3.97Å; F74-F119 AromaticContact CZ-CD1 3.99Å; F74-F119 HydrophobicContact CZ-CD1 3.99Å; F74-F119 HydrophobicContact CZ-CD2 4.49Å; F74-F119 AromaticContact CZ-CE1 3.75Å; F74-F119 HydrophobicContact CZ-CE1 3.75Å; F74-F119 HydrophobicContact CZ-CE2 4.24Å; F74-F119 HydrophobicContact CZ-CG 4.36Å; F74-F119 AromaticContact CZ-CZ 3.87Å; F74-F119 HydrophobicContact CZ-CZ 3.87Å; F76-F119 HydrophobicContact CE2-CB 3.92Å; F76-F119 HydrophobicContact CE2-CG 4.46Å; Y82-F119 HydrophobicContact CD1-CD2 4.22Å; Y82-F119 AromaticContact CD1-CE2 3.98Å; Y82-F119 HydrophobicContact CD1-CE2 3.98Å; Y82-F119 HydrophobicContact CD2-CD2 4.49Å; Y82-F119 AromaticContact CG-CD2 3.89Å; Y82-F119 HydrophobicContact CG-CD2 3.89Å; Y82-F119 HydrophobicContact CG-CE2 4.08Å; H84-F119 AromaticContact CD2-CE2 3.8Å; V117-F119 HydrophobicContact CG1-CE2 4.41Å; V117-F119 HydrophobicContact CG1-CZ 4.24Å
120K91.5Very high84.5Confident94 Ų9493.2 Ų93.241%0.40950%0.501SS..EExtended strand (participates in β ladder)trans-128.4162-178.8-67.3-173.2-177.5163.20110.5V15 Y16 Y17 A18 E118V15-K120 HydrophobicContact CG1-CB 4.06Å; V15-K120 HydrophobicContact CG1-CD 3.78Å; V15-K120 HydrophobicContact CG1-CG 3.92Å; Y16-K120 PolarHBondContact O-N 2.73Å; Y17-K120 CarbonylContact C-O 3.58Å; Y17-K120 WeakPolarHBondContact CA-O 3.48Å; Y17-K120 HydrophobicContact CD1-CB 3.95Å; Y17-K120 HydrophobicContact CE1-CB 3.98Å; A18-K120 PolarHBondContact N-O 3.11Å; E118-K120 WeakPolarHBondContact OE2-CE 3.49Å; E118-K120 IonicContact OE2-NZ 3.15Å; E118-K120 PolarHBondContact OE2-NZ 3Å
121N87.4Confident82.7Confident128 Ų12893.4 Ų93.468%0.68451%0.51SS*.PPolyproline II helixtrans-75.8147.6163.5-65.5-30.5000108.9Y17Y17-N121 WeakPolarHBondContact CD1-O 3.33Å
122E80.9Confident80.7Confident131 Ų13193.7 Ų93.761%0.61252%0.521SS*.PPolyproline II helixtrans-51.1132173.6-167.9167.7-167.900109E124E122-E124 PolarHBondContact O-N 2.92Å
123P75.5Confident78.7Confident88 Ų8896 Ų9657%0.57154%0.536SS*.PPolyproline II helixtrans-57.4131.6177.923.9-32.8000108.5
124E72.4Confident76.7Confident175 Ų17599 Ų9982%0.81854%0.544SS*.PPolyproline II helixtrans-52.2134.3174.5-169.5177.8173.900108.6E122 A126E122-E124 PolarHBondContact O-N 2.92Å; E124-A126 PolarHBondContact O-N 2.82Å; E124-A126 VanDerWaalsContact O-N 3.07Å
125P76.3Confident74.8Confident113 Ų11399.7 Ų99.773%0.73454%0.544SS*.PPolyproline II helixtrans-51.7124.6178.919.6-31.6000108.3
126A71.8Confident72.6Confident84 Ų84100 Ų10069%0.69455%0.546SS*.PPolyproline II helixtrans-49.6133.9-178.500000108.6E124E124-A126 PolarHBondContact O-N 2.82Å; E124-A126 VanDerWaalsContact O-N 3.07Å
127P72.8Confident70.8Confident109 Ų10998.1 Ų98.171%0.70855%0.548SS*.PPolyproline II helixtrans-52.5138.9177.320.7-30.9000108.1T129P127-T129 PolarHBondContact O-N 2.79Å
128P71.2Confident69.1Low123 Ų123101.5 Ų101.580%0.79957%0.568SS**PPolyproline II helixtrans-52.4116.9-17721.1-31.9000107.8P130P128-P130 WeakPolarHBondContact O-CD 3.37Å; P128-P130 VanDerWaalsContact O-N 3.16Å
129T62.5Low67.4Low119 Ų119100.5 Ų100.573%0.7357%0.568SS**PPolyproline II helixtrans-57.9125.5-179.1-280000106.5P127 N131P127-T129 PolarHBondContact O-N 2.79Å; T129-N131 PolarHBondContact O-N 2.9Å; T129-N131 VanDerWaalsContact O-N 3.11Å
130P59.7Low65.8Low96 Ų96107.3 Ų107.362%0.62360%0.598SS**PPolyproline II helixtrans-52.7127.8171.7-22.332.3000106.9P128 L132P128-P130 WeakPolarHBondContact O-CD 3.37Å; P128-P130 VanDerWaalsContact O-N 3.16Å; P130-L132 VanDerWaalsContact C-N 3.25Å; P130-L132 PolarHBondContact O-N 2.77Å
131N57.2Low64Low111 Ų111106.2 Ų106.259%0.59460%0.596SS**  trans-62.890.8-179.2-121.1-26.1000107.8T129 L133T129-N131 PolarHBondContact O-N 2.9Å; T129-N131 VanDerWaalsContact O-N 3.11Å; N131-L133 PolarHBondContact O-N 3.15Å
132L54.3Low61.9Low132 Ų132108.3 Ų108.369%0.69160%0.596SS**THydrogen-bonded Turntrans-65.72.4179.6-80.2166.9000112.9P130P130-L132 VanDerWaalsContact C-N 3.25Å; P130-L132 PolarHBondContact O-N 2.77Å
133L52.2Low60.5Low156 Ų156104.3 Ų104.382%0.81758%0.58SS**THydrogen-bonded Turntrans-96.613.5-176.5-75.9166.9000114.9N131 I135N131-L133 PolarHBondContact O-N 3.15Å; L133-I135 VanDerWaalsContact C-N 3.32Å; L133-I135 PolarHBondContact O-N 3.39Å
134R53.6Low59.1Low103 Ų103103.4 Ų103.439%0.38957%0.574SS.*  trans-94.937.5173.2-66.5-165.4-178.2-174.88.9114.1C136 T143 E145R134-C136 PolarHBondContact O-N 2.98Å; R134-T143 PolarHBondContact O-OG1 3.39Å; R134-E145 IonicContact CZ-OE1 3.71Å; R134-E145 IonicContact NH1-OE1 3.84Å; R134-E145 IonicContact NH2-OE1 3.03Å
135I55.8Low58.1Low91 Ų91100.1 Ų100.147%0.46756%0.559SS.*BIsolated β-bridgetrans-78.3114.9164.2-58.2173.6000106.6L133 P137 F140L133-I135 VanDerWaalsContact C-N 3.32Å; L133-I135 PolarHBondContact O-N 3.39Å; I135-P137 VanDerWaalsContact O-CD 3.31Å; I135-P137 WeakPolarHBondContact O-CD 3.29Å; I135-F140 HydrophobicContact CG2-CD1 4.18Å
136C50.1Low56.7Low5 Ų5102.5 Ų102.53%0.03457%0.565CS.*  trans-64.5117.8174.5-169.70000108.4R134 V138 C139 F140 F168R134-C136 PolarHBondContact O-N 2.98Å; C136-V138 PolarHBondContact O-N 3.02Å; C136-C139 HydrophobicContact CB-CB 4.34Å; C136-C139 PolarHBondContact O-N 2.83Å; C136-F140 WeakPolarHBondContact O-CA 3.33Å; C136-F140 PolarHBondContact O-N 2.86Å; C136-F168 HydrophobicContact CB-CE1 4.25Å; C136-F168 HydrophobicContact CB-CZ 4.1Å; C136-F168 VanDerWaalsContact SG-CE1 3.52Å
137P58.1Low55.3Low97 Ų97102.3 Ų102.363%0.6356%0.558SS**THydrogen-bonded Turntrans-66.1-14.3-176.825.2-32.5000112.8I135I135-P137 VanDerWaalsContact O-CD 3.31Å; I135-P137 WeakPolarHBondContact O-CD 3.29Å
138V59.6Low54Low79 Ų79101.5 Ų101.548%0.47957%0.57SS.*THydrogen-bonded Turntrans-86.9-37.4179.8-173.30000111.6C136 L170 L183C136-V138 PolarHBondContact O-N 3.02Å; V138-L170 HydrophobicContact CG1-CD1 4.34Å; V138-L183 HydrophobicContact CG1-CD1 4.2Å; V138-L183 HydrophobicContact CG2-CD1 3.91Å
139C59.7Low52.6Low47 Ų47103 Ų10332%0.31857%0.566SS.*THydrogen-bonded Turntrans-108.3-17-171.7-40.30000112.9C136 L141C136-C139 HydrophobicContact CB-CB 4.34Å; C136-C139 PolarHBondContact O-N 2.83Å; C139-L141 HydrophobicContact CB-CB 3.96Å; C139-L141 HydrophobicContact CB-CD1 4.12Å; C139-L141 HydrophobicContact CB-CG 4.1Å; C139-L141 WeakPolarHBondContact O-CG 3.41Å; C139-L141 PolarHBondContact O-N 3.37Å
140F58.6Low51.8Low172 Ų172103 Ų10375%0.75457%0.571SS**  trans517.3-163.2-91-91.6000114.6I135 C136I135-F140 HydrophobicContact CG2-CD1 4.18Å; C136-F140 WeakPolarHBondContact O-CA 3.33Å; C136-F140 PolarHBondContact O-N 2.86Å
141L53.2Low51.3Low72 Ų72103.2 Ų103.238%0.37757%0.566SS.*  trans-84131.3-178.9-72171.2000109.3C139 T143 I151 I154C139-L141 HydrophobicContact CB-CB 3.96Å; C139-L141 HydrophobicContact CB-CD1 4.12Å; C139-L141 HydrophobicContact CB-CG 4.1Å; C139-L141 WeakPolarHBondContact O-CG 3.41Å; C139-L141 PolarHBondContact O-N 3.37Å; L141-T143 PolarHBondContact O-N 3.22Å; L141-I151 HydrophobicContact CD1-CG2 4.48Å; L141-I154 HydrophobicContact CD1-CD1 4.27Å
142Y44.9Very low50.9Low172 Ų172102.7 Ų102.768%0.67557%0.568SS**BIsolated β-bridgetrans-52.6121.2166.4-145.5-99.3000107.9P144Y142-P144 WeakPolarHBondContact O-CD 3.4Å
143T50.3Low50.6Low47 Ų47103.6 Ų103.629%0.28857%0.572SS.*  trans-78.1108161.250.40000106.6R134 L141 E145R134-T143 PolarHBondContact O-OG1 3.39Å; L141-T143 PolarHBondContact O-N 3.22Å; T143-E145 PolarHBondContact O-N 3.44Å
144P47.8Very low50.5Low68 Ų68101.5 Ų101.544%0.44256%0.56SS.*  trans-63.7112.7168.127.3-31.7000106.7Y142 L146Y142-P144 WeakPolarHBondContact O-CD 3.4Å; P144-L146 PolarHBondContact O-N 3.24Å
145E50.6Low50.6Low106 Ų106100.9 Ų100.950%0.49557%0.572SS.*  trans-59.1118.6166.6-153.2151.9-142.600106.7R134 T143 S147R134-E145 IonicContact CZ-OE1 3.71Å; R134-E145 IonicContact NH1-OE1 3.84Å; R134-E145 IonicContact NH2-OE1 3.03Å; T143-E145 PolarHBondContact O-N 3.44Å; E145-S147 PolarHBondContact O-N 3.06Å
146L45.8Very low50.5Low163 Ų16398.2 Ų98.285%0.85357%0.567SS**SBendtrans55.862.7153.9-58.4167.6000115.8P144P144-L146 PolarHBondContact O-N 3.24Å
147S42.7Very low50.8Low80 Ų80101.9 Ų101.956%0.55959%0.586SS**SBendtrans-16482.7150.148.30000111.7E145 H149E145-S147 PolarHBondContact O-N 3.06Å; S147-H149 PolarHBondContact O-N 2.87Å; S147-H149 PolarHBondContact O-ND1 3.06Å
148G45.5Very low51Low92 Ų92104.7 Ų104.795%0.94859%0.588SS**  trans46.77.7145.100000122.5
149H43.1Very low50.9Low155 Ų155103.5 Ų103.572%0.71858%0.583SS**  trans-107.8124.2-170.7-73.464.6000110.3S147 I151S147-H149 PolarHBondContact O-N 2.87Å; S147-H149 PolarHBondContact O-ND1 3.06Å; H149-I151 PolarHBondContact O-N 3.42Å
150S44.5Very low51.2Low120 Ų120108.5 Ų108.584%0.83960%0.599SS**PPolyproline II helixtrans-50.5118.7174.923.30000111.7
151I49.6Very low51.3Low100 Ų100104.4 Ų104.451%0.51358%0.579SS.*PPolyproline II helixtrans-72.4135.6171-59.6173000108.2L141 H149 I153L141-I151 HydrophobicContact CD1-CG2 4.48Å; H149-I151 PolarHBondContact O-N 3.42Å; I151-I153 PolarHBondContact O-N 3.2Å
152P48.5Very low51.8Low99 Ų99103.6 Ų103.664%0.64358%0.575SS**PPolyproline II helixtrans-60.8134.3177.524.2-32.6000110.8I154P152-I154 PolarHBondContact O-N 3.01Å
153I47.7Very low52.8Low151 Ų151100.9 Ų100.977%0.77457%0.571SS**  trans-71.497.1-179.1-57.4165.3000107.4I151I151-I153 PolarHBondContact O-N 3.2Å
154I50.6Low53.3Low112 Ų112109 Ų10957%0.57460%0.598SS**  trans-87.8115.7162.2-57.4179.4000106.5L141 P152 G156L141-I154 HydrophobicContact CD1-CD1 4.27Å; P152-I154 PolarHBondContact O-N 3.01Å; I154-G156 PolarHBondContact O-N 2.93Å
155S55.7Low54.3Low91 Ų91110.8 Ų110.864%0.63660%0.604SS**THydrogen-bonded Turntrans48.760.516764.90000116.2L157S155-L157 WeakPolarHBondContact O-CG 3.42Å; S155-L157 PolarHBondContact O-N 3.25Å
156G54.7Low55.1Low35 Ų35113.2 Ų113.236%0.36161%0.613SS.*THydrogen-bonded Turntrans60.611.1163.100000116.5I154 T172 A173I154-G156 PolarHBondContact O-N 2.93Å; G156-T172 CarbonylContact O-C 3.52Å; G156-T172 WeakPolarHBondContact O-CA 3.35Å; G156-A173 PolarHBondContact O-N 3.07Å
157L56.4Low55.9Low81 Ų81108 Ų10842%0.42459%0.585SS.*EExtended strand (participates in β ladder)trans-113.7114.6-173.1-77.7160.1000109.9S155 L170 T172S155-L157 WeakPolarHBondContact O-CG 3.42Å; S155-L157 PolarHBondContact O-N 3.25Å; L157-L170 HydrophobicContact CB-CD2 3.78Å; L157-L170 HydrophobicContact CD1-CD2 4.44Å; L157-L170 HydrophobicContact CD2-CB 4.19Å; L157-L170 HydrophobicContact CD2-CD2 3.92Å; L157-L170 HydrophobicContact CG-CD2 4.25Å; L157-T172 HydrophobicContact CD2-CG2 4.14Å
158K61.7Low56.7Low156 Ų156106.6 Ų106.668%0.67857%0.569SS**EExtended strand (participates in β ladder)trans-87115.4167.5-86.6178176169.40109L170 K171K158-L170 WeakPolarHBondContact O-CA 3.42Å; K158-K171 PolarHBondContact N-O 3.46Å; K158-K171 PolarHBondContact O-N 2.62Å
159C58.1Low57.4Low54 Ų54104.4 Ų104.437%0.36554%0.537SS..EExtended strand (participates in β ladder)trans-90.1123.9171.4-157.40000109.6F168 L170C159-F168 VanDerWaalsContact SG-CD1 3.57Å; C159-L170 HydrophobicContact CB-CD2 4.18Å
160K64.5Low58.3Low153 Ų15398.8 Ų98.867%0.66551%0.513SS*.EExtended strand (participates in β ladder)trans-117.1125.1175.8-119.4-175.5178.4-173.10108.7T169K160-T169 PolarHBondContact N-O 3.31Å; K160-T169 PolarHBondContact O-N 3.01Å
161Y61.7Low59Low86 Ų8699.4 Ų99.434%0.33750%0.5SS..EExtended strand (participates in β ladder)trans-93.1123.2171.1-176.6-110.3000109.7I163 F168Y161-I163 HydrophobicContact CD1-CG1 3.76Å; Y161-I163 HydrophobicContact CE1-CB 4.26Å; Y161-I163 HydrophobicContact CE1-CG1 3.84Å; Y161-F168 AromaticContact CD2-CD1 3.93Å; Y161-F168 HydrophobicContact CD2-CD1 3.93Å; Y161-F168 AromaticContact CD2-CD2 3.75Å; Y161-F168 HydrophobicContact CD2-CD2 3.75Å; Y161-F168 AromaticContact CD2-CE1 3.69Å; Y161-F168 HydrophobicContact CD2-CE1 3.69Å; Y161-F168 AromaticContact CD2-CE2 3.48Å; Y161-F168 HydrophobicContact CD2-CE2 3.48Å; Y161-F168 VanDerWaalsContact CD2-CE2 3.48Å; Y161-F168 AromaticContact CD2-CG 3.97Å; Y161-F168 HydrophobicContact CD2-CG 3.97Å; Y161-F168 AromaticContact CD2-CZ 3.45Å; Y161-F168 HydrophobicContact CD2-CZ 3.45Å; Y161-F168 VanDerWaalsContact CD2-CZ 3.45Å; Y161-F168 HydrophobicContact CE2-CD2 4.14Å; Y161-F168 AromaticContact CE2-CE2 3.75Å; Y161-F168 HydrophobicContact CE2-CE2 3.75Å; Y161-F168 HydrophobicContact CE2-CZ 4.06Å; Y161-F168 HydrophobicContact CG-CD1 4.47Å; Y161-F168 HydrophobicContact CG-CE1 4.08Å; Y161-F168 HydrophobicContact CG-CZ 4.12Å
162D64.2Low59.3Low55 Ų5597.9 Ų97.929%0.29450%0.495SS..EExtended strand (participates in β ladder)trans-90.2107.4169.3-174-22.1000108.9Y164 N165 K166 I167D162-Y164 VanDerWaalsContact C-N 3.26Å; D162-Y164 PolarHBondContact O-N 2.71Å; D162-Y164 WeakPolarHBondContact OD1-CB 3.19Å; D162-Y164 PolarHBondContact OD1-N 2.9Å; D162-N165 HydrophobicContact CB-CB 4.28Å; D162-N165 PolarHBondContact O-N 2.82Å; D162-N165 PolarHBondContact OD1-N 3.04Å; D162-N165 VanDerWaalsContact OD1-N 3.16Å; D162-N165 PolarHBondContact OD2-ND2 2.69Å; D162-K166 WeakPolarHBondContact O-CA 3.48Å; D162-K166 PolarHBondContact O-N 3.05Å; D162-I167 PolarHBondContact N-O 3.29Å; D162-I167 PolarHBondContact O-N 3.07Å
163I64.8Low59.7Low114 Ų11495.3 Ų95.359%0.58548%0.482SS*.THydrogen-bonded Turntrans-62.7-35-178.6-60.9169.7000111.2Y161Y161-I163 HydrophobicContact CD1-CG1 3.76Å; Y161-I163 HydrophobicContact CE1-CB 4.26Å; Y161-I163 HydrophobicContact CE1-CG1 3.84Å
164Y62Low59.9Low218 Ų21895.3 Ų95.386%0.85548%0.484SS*.THydrogen-bonded Turntrans-74.7-42.1-176.7-75-85.1000111.3D162D162-Y164 VanDerWaalsContact C-N 3.26Å; D162-Y164 PolarHBondContact O-N 2.71Å; D162-Y164 WeakPolarHBondContact OD1-CB 3.19Å; D162-Y164 PolarHBondContact OD1-N 2.9Å
165N67.5Low59.7Low105 Ų10596.1 Ų96.156%0.56149%0.49SS*.THydrogen-bonded Turntrans-90.4-11-178.1-69.8-49.5000114D162 I167D162-N165 HydrophobicContact CB-CB 4.28Å; D162-N165 PolarHBondContact O-N 2.82Å; D162-N165 PolarHBondContact OD1-N 3.04Å; D162-N165 VanDerWaalsContact OD1-N 3.16Å; D162-N165 PolarHBondContact OD2-ND2 2.69Å; N165-I167 HydrophobicContact CB-CB 4.39Å; N165-I167 HydrophobicContact CB-CD1 3.78Å; N165-I167 HydrophobicContact CB-CG1 3.85Å; N165-I167 WeakPolarHBondContact O-CG1 3.47Å; N165-I167 PolarHBondContact O-N 3.08Å
166K67.5Low59.5Low157 Ų15796.7 Ų96.768%0.68351%0.51SS*.THydrogen-bonded Turntrans53.939.9-169.1-59.9-176176.6-178.20112.6D162D162-K166 WeakPolarHBondContact O-CA 3.48Å; D162-K166 PolarHBondContact O-N 3.05Å
167I62.6Low59.4Low54 Ų5499.6 Ų99.628%0.27753%0.525SS..EExtended strand (participates in β ladder)trans-117.7132.1-178.2-55.8174.2000109.4D162 N165D162-I167 PolarHBondContact N-O 3.29Å; D162-I167 PolarHBondContact O-N 3.07Å; N165-I167 HydrophobicContact CB-CB 4.39Å; N165-I167 HydrophobicContact CB-CD1 3.78Å; N165-I167 HydrophobicContact CB-CG1 3.85Å; N165-I167 WeakPolarHBondContact O-CG1 3.47Å; N165-I167 PolarHBondContact O-N 3.08Å
168F60.6Low58.8Low51 Ų5198.2 Ų98.222%0.22453%0.53CS..EExtended strand (participates in β ladder)trans-85.5128.3163.7-77.1-84000109.7C136 C159 Y161C136-F168 HydrophobicContact CB-CE1 4.25Å; C136-F168 HydrophobicContact CB-CZ 4.1Å; C136-F168 VanDerWaalsContact SG-CE1 3.52Å; C159-F168 VanDerWaalsContact SG-CD1 3.57Å; Y161-F168 AromaticContact CD2-CD1 3.93Å; Y161-F168 HydrophobicContact CD2-CD1 3.93Å; Y161-F168 AromaticContact CD2-CD2 3.75Å; Y161-F168 HydrophobicContact CD2-CD2 3.75Å; Y161-F168 AromaticContact CD2-CE1 3.69Å; Y161-F168 HydrophobicContact CD2-CE1 3.69Å; Y161-F168 AromaticContact CD2-CE2 3.48Å; Y161-F168 HydrophobicContact CD2-CE2 3.48Å; Y161-F168 VanDerWaalsContact CD2-CE2 3.48Å; Y161-F168 AromaticContact CD2-CG 3.97Å; Y161-F168 HydrophobicContact CD2-CG 3.97Å; Y161-F168 AromaticContact CD2-CZ 3.45Å; Y161-F168 HydrophobicContact CD2-CZ 3.45Å; Y161-F168 VanDerWaalsContact CD2-CZ 3.45Å; Y161-F168 HydrophobicContact CE2-CD2 4.14Å; Y161-F168 AromaticContact CE2-CE2 3.75Å; Y161-F168 HydrophobicContact CE2-CE2 3.75Å; Y161-F168 HydrophobicContact CE2-CZ 4.06Å; Y161-F168 HydrophobicContact CG-CD1 4.47Å; Y161-F168 HydrophobicContact CG-CE1 4.08Å; Y161-F168 HydrophobicContact CG-CZ 4.12Å
169T60.5Low58Low45 Ų4598 Ų9828%0.27653%0.533SS..EExtended strand (participates in β ladder)trans-113.7122.1174.4-38.70000108.7K160K160-T169 PolarHBondContact N-O 3.31Å; K160-T169 PolarHBondContact O-N 3.01Å
170L60.2Low57.7Low38 Ų38102 Ų10220%0.19955%0.549CS..EExtended strand (participates in β ladder)trans-92.3129.1168.8-81148.5000108.7V138 L157 K158 C159 L183V138-L170 HydrophobicContact CG1-CD1 4.34Å; L157-L170 HydrophobicContact CB-CD2 3.78Å; L157-L170 HydrophobicContact CD1-CD2 4.44Å; L157-L170 HydrophobicContact CD2-CB 4.19Å; L157-L170 HydrophobicContact CD2-CD2 3.92Å; L157-L170 HydrophobicContact CG-CD2 4.25Å; K158-L170 WeakPolarHBondContact O-CA 3.42Å; C159-L170 HydrophobicContact CB-CD2 4.18Å; L170-L183 HydrophobicContact CD1-CD1 3.49Å; L170-L183 VanDerWaalsContact CD1-CD1 3.49Å
171K59.7Low57.1Low132 Ų132103.9 Ų103.957%0.57455%0.552SS**EExtended strand (participates in β ladder)trans-117.7130.9169.6-71.8-170.5173.2-169.40109K158K158-K171 PolarHBondContact N-O 3.46Å; K158-K171 PolarHBondContact O-N 2.62Å
172T56.5Low56.5Low68 Ų68107.8 Ų107.842%0.41757%0.571SS.*EExtended strand (participates in β ladder)trans-66.1132.1164.646.80000108.4G156 L157 D174G156-T172 CarbonylContact O-C 3.52Å; G156-T172 WeakPolarHBondContact O-CA 3.35Å; L157-T172 HydrophobicContact CD2-CG2 4.14Å; T172-D174 PolarHBondContact O-N 2.91Å
173A55.8Low55.8Low45 Ų45108.6 Ų108.637%0.37258%0.575SS.*SBendtrans-73.3119.1169.100000107.5G156G156-A173 PolarHBondContact O-N 3.07Å
174D53.4Low54.8Low152 Ų152114.3 Ų114.381%0.81359%0.589SS**SBendtrans53.570.5160.8-58.2-37.7000117T172T172-D174 PolarHBondContact O-N 2.91Å
175D45.9Very low53.9Low129 Ų129108.9 Ų108.969%0.6958%0.583SS**  trans-142.3136.4136-65.1-49.8000104.8S177D175-S177 PolarHBondContact O-N 2.9Å
176G50.9Low52.5Low102 Ų102114.4 Ų114.4100%1.05261%0.61SS**SBendtrans-59.517.1-176.200000116.8
177S52.8Low51.8Low97 Ų97112.3 Ų112.368%0.67861%0.606SS**  trans-124.562.7173.770.70000111.1D175 M179D175-S177 PolarHBondContact O-N 2.9Å; S177-M179 PolarHBondContact O-N 2.88Å
178G43.1Very low51.2Low51 Ų51115.3 Ų115.353%0.52662%0.624SS.*  trans-69.989.6177.900000112.1I180G178-I180 PolarHBondContact O-N 3.37Å
179M46.2Very low50.7Low151 Ų151118.9 Ų118.974%0.74465%0.646SS**  trans-56.3109.3167.6-108.8-159.8-179.200109.5S177 R181S177-M179 PolarHBondContact O-N 2.88Å; M179-R181 PolarHBondContact O-N 2.88Å
180I50.5Low50.1Low138 Ų138123.2 Ų123.271%0.70867%0.668SS**  trans-79.2100.5172.3-57.3175.3000107.5G178G178-I180 PolarHBondContact O-N 3.37Å
181R53.1Low49.5Very low194 Ų194128.6 Ų128.673%0.73270%0.697SS**  trans-91.7106.6162-76.7-170.5178.4-167.20.5108.8M179 L183M179-R181 PolarHBondContact O-N 2.88Å; R181-L183 PolarHBondContact O-N 3Å
182K48.7Very low48.8Very low168 Ų168128.3 Ų128.373%0.7371%0.705SS**BIsolated β-bridgetrans-65.2109.4163.3-106.6178.8176.2177.40107.6R184K182-R184 PolarHBondContact O-N 3.12Å
183L49.5Very low48.2Very low72 Ų72132.6 Ų132.638%0.37773%0.726SS.*PPolyproline II helixtrans-75.6117161.3-76.4163.2000106.7V138 L170 R181 S185V138-L183 HydrophobicContact CG1-CD1 4.2Å; V138-L183 HydrophobicContact CG2-CD1 3.91Å; L170-L183 HydrophobicContact CD1-CD1 3.49Å; L170-L183 VanDerWaalsContact CD1-CD1 3.49Å; R181-L183 PolarHBondContact O-N 3Å; L183-S185 PolarHBondContact O-N 3.17Å
184R43.4Very low47.7Very low234 Ų234139.4 Ų139.488%0.88375%0.753SS**PPolyproline II helixtrans-64.2132.1162.8-81.7-174.1-179-164.80.2107K182 I186K182-R184 PolarHBondContact O-N 3.12Å; R184-I186 PolarHBondContact O-N 2.95Å
185S44.8Very low47.2Very low103 Ų103138.3 Ų138.372%0.7275%0.748SS**PPolyproline II helixtrans-52.1132.3161.9-167.80000107.8L183L183-S185 PolarHBondContact O-N 3.17Å
186I37.5Very low47.3Very low221 Ų221139.2 Ų139.2100%1.13375%0.753SS**  trans-71.10152.3-51.5175000106.8R184R184-I186 PolarHBondContact O-N 2.95Å

Retrieved 186 of 186 residues in 71.2 ms (Link to these results)

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