A0A077Z780_TRITR Loading...

U11/U12 small nuclear ribonucleoprotein 35 kDa protein

AlphaFold DB , UniProt , Accession A0A077Z780, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 181 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
1M37.7Very low50.5Low228 Ų228139.1 Ų139.1100%1.12370%0.701SS**  0111.60-64.4-65.6-177.400108.6R3M1-R3 PolarHBondContact O-N 2.78Å
2P39.5Very low52.5Low125 Ų125130.6 Ų130.681%0.81266%0.659SS**  trans-70.1117.1173.329.5-29.3000107.7K4P2-K4 PolarHBondContact O-N 2.84Å
3R42.3Very low54.7Low233 Ų233122.1 Ų122.188%0.87962%0.618SS**  trans-59.3112.9167.2-75.2-178.4177.9-176.5-0.3106.4M1 N5M1-R3 PolarHBondContact O-N 2.78Å; R3-N5 PolarHBondContact O-N 2.83Å
4K48.5Very low57.1Low177 Ų177117.9 Ų117.977%0.7760%0.604SS**  trans-58.2112166.1-74.1178.9178.31760105.9P2 N6P2-K4 PolarHBondContact O-N 2.84Å; K4-N6 PolarHBondContact O-N 2.62Å
5N41Very low59.3Low145 Ų145110.4 Ų110.478%0.77557%0.565SS**  trans-63.970.4171.7-82.7-12.4000109.6R3 D7R3-N5 PolarHBondContact O-N 2.83Å; N5-D7 VanDerWaalsContact C-N 3.31Å
6N50.6Low61.3Low131 Ų131106.2 Ų106.270%0.70154%0.544SS*.  trans-90.16.3177.8-964.6000112.2K4 Q8K4-N6 PolarHBondContact O-N 2.62Å; N6-Q8 VanDerWaalsContact C-N 3.27Å; N6-Q8 PolarHBondContact O-N 2.82Å
7D51.1Low63Low134 Ų134100.8 Ų100.872%0.71752%0.517SS*.  trans-84.82.4-173.4-63-25.3000113.9N5 N110N5-D7 VanDerWaalsContact C-N 3.31Å; D7-N110 PolarHBondContact O-ND2 3.04Å
8Q54.8Low64.4Low163 Ų16397 Ų9776%0.76250%0.498SS*.SBendtrans-98.4134.3172.8-66.3-175.81.900109.4N6N6-Q8 VanDerWaalsContact C-N 3.27Å; N6-Q8 PolarHBondContact O-N 2.82Å
9M59.4Low65.6Low25 Ų2596.1 Ų96.112%0.12349%0.49CS..PPolyproline II helixtrans-56.4134.4172-67.3-165160.600109.8R106 Y113 Q130M9-R106 PolarHBondContact SD-NH1 3.12Å; M9-R106 PolarHBondContact SD-NH2 2.74Å; M9-Y113 HydrophobicContact CE-CD1 4.43Å; M9-Y113 HydrophobicContact CE-CD2 3.77Å; M9-Y113 HydrophobicContact CE-CE2 4.32Å; M9-Y113 HydrophobicContact CE-CG 3.83Å; M9-Q130 HydrophobicContact CE-CB 3.99Å; M9-Q130 HydrophobicContact CE-CG 3.5Å; M9-Q130 HydrophobicContact SD-CB 4.01Å; M9-Q130 HydrophobicContact SD-CG 3.52Å; M9-Q130 VanDerWaalsContact SD-CG 3.52Å; M9-Q130 PolarHBondContact SD-OE1 2.93Å
10P62Low66.7Low52 Ų5291.3 Ų91.334%0.33847%0.466SS..PPolyproline II helixtrans-61.8146.6-178.526.1-34.3000110.4L12 I168 T172P10-L12 HydrophobicContact CG-CD2 4.15Å; P10-L12 PolarHBondContact O-N 3.3Å; P10-I168 HydrophobicContact CG-CG2 4.22Å; P10-T172 HydrophobicContact CB-CG2 4.22Å
11T68.3Low67.6Low117 Ų11787.9 Ų87.972%0.71845%0.453SS*.PPolyproline II helixtrans-59.6125162.752.80000108.3
12L75Confident69.6Low37 Ų3777.6 Ų77.619%0.19440%0.403CS..PPolyproline II helixtrans-94.6132.7-175.4-57.1174.2000110.3P10 F132 L135 L136 I168P10-L12 HydrophobicContact CG-CD2 4.15Å; P10-L12 PolarHBondContact O-N 3.3Å; L12-F132 HydrophobicContact CD1-CD1 3.68Å; L12-F132 HydrophobicContact CD1-CE1 3.63Å; L12-L135 HydrophobicContact CD1-CB 4.41Å; L12-L136 HydrophobicContact CB-CD1 3.27Å; L12-L136 HydrophobicContact CD1-CD1 3.88Å; L12-L136 HydrophobicContact CG-CD1 4.19Å; L12-I168 HydrophobicContact CD2-CD1 3.68Å; L12-I168 HydrophobicContact CD2-CG1 4.17Å; L12-I168 HydrophobicContact CD2-CG2 4.5Å
13P81.6Confident71Confident20 Ų2073.7 Ų73.713%0.1338%0.381CS..PPolyproline II helixtrans-65.2156.2171.832.1-38.5000110.6Y15 L136 Y167 H171P13-Y15 PolarHBondContact O-N 2.86Å; P13-L136 WeakPolarHBondContact O-CD1 3.46Å; P13-Y167 HydrophobicContact CG-CE1 3.87Å; P13-H171 HydrophobicContact CB-CB 3.8Å; P13-H171 HydrophobicContact CG-CB 3.63Å
14P87.8Confident72.1Confident63 Ų6368.6 Ų68.641%0.40937%0.37SS..PPolyproline II helixtrans-56.5135.6174.4-23.734000111.9D16 Q137 Y167P14-D16 PolarHBondContact O-N 3.24Å; P14-Q137 CarbonylContact C-O 3.45Å; P14-Q137 HydrophobicContact CB-CB 4.1Å; P14-Q137 HydrophobicContact CB-CG 4.42Å; P14-Q137 HydrophobicContact CG-CB 4.43Å; P14-Y167 PolarHBondContact O-OH 3.26Å
15Y90.7Very high72.8Confident6 Ų663 Ų632%0.02436%0.356CS..PPolyproline II helixtrans-56.5131.5177.8-172.7-100.3000110.6P13 P17 V20 L136 Q137 N138 W139 V140 G146 G147 F148 Y167P13-Y15 PolarHBondContact O-N 2.86Å; Y15-P17 HydrophobicContact CD1-CG 4.3Å; Y15-P17 HydrophobicContact CE1-CG 3.92Å; Y15-V20 HydrophobicContact CD2-CG1 4.09Å; Y15-V20 HydrophobicContact CE2-CB 4.46Å; Y15-V20 HydrophobicContact CE2-CG1 3.79Å; Y15-V20 HydrophobicContact CE2-CG2 4.21Å; Y15-L136 HydrophobicContact CD2-CD2 3.64Å; Y15-L136 HydrophobicContact CG-CD2 4.09Å; Y15-Q137 WeakPolarHBondContact CB-O 3.46Å; Y15-Q137 PolarHBondContact N-O 3Å; Y15-N138 WeakPolarHBondContact CB-O 3.33Å; Y15-N138 VanDerWaalsContact CD1-O 3.31Å; Y15-N138 WeakPolarHBondContact CD1-O 3.47Å; Y15-W139 AromaticContact CD2-CE3 3.52Å; Y15-W139 HydrophobicContact CD2-CE3 3.52Å; Y15-W139 AromaticContact CD2-CZ3 3.79Å; Y15-W139 HydrophobicContact CD2-CZ3 3.79Å; Y15-W139 AromaticContact CE2-CE3 3.69Å; Y15-W139 HydrophobicContact CE2-CE3 3.69Å; Y15-W139 AromaticContact CE2-CZ3 3.58Å; Y15-W139 HydrophobicContact CE2-CZ3 3.58Å; Y15-W139 HydrophobicContact CG-CE3 4.1Å; Y15-V140 HydrophobicContact CD1-CB 4.32Å; Y15-V140 HydrophobicContact CD1-CG2 4.22Å; Y15-V140 HydrophobicContact CE1-CB 3.85Å; Y15-V140 HydrophobicContact CE1-CG2 4.13Å; Y15-G146 VanDerWaalsContact OH-CA 3.26Å; Y15-G146 WeakPolarHBondContact OH-CA 3.36Å; Y15-G147 PolarHBondContact OH-N 3.31Å; Y15-G147 PolarHBondContact OH-O 3.43Å; Y15-F148 AromaticContact CD2-CE1 3.85Å; Y15-F148 HydrophobicContact CD2-CE1 3.85Å; Y15-F148 AromaticContact CD2-CZ 3.84Å; Y15-F148 HydrophobicContact CD2-CZ 3.84Å; Y15-F148 HydrophobicContact CE2-CD1 4.05Å; Y15-F148 AromaticContact CE2-CE1 3.56Å; Y15-F148 HydrophobicContact CE2-CE1 3.56Å; Y15-F148 AromaticContact CE2-CZ 3.95Å; Y15-F148 HydrophobicContact CE2-CZ 3.95Å; Y15-Y167 WeakPolarHBondContact CA-OH 3.43Å
16D90.3Very high74Confident43 Ų4360.4 Ų60.423%0.2335%0.349CS..  trans-136.5106-178.4178.7-18.1000108.8P14 L18 K19 V20P14-D16 PolarHBondContact O-N 3.24Å; D16-L18 PolarHBondContact O-N 3.4Å; D16-L18 VanDerWaalsContact O-N 3.13Å; D16-L18 VanDerWaalsContact OD1-CB 3.31Å; D16-L18 WeakPolarHBondContact OD1-CB 3.49Å; D16-L18 PolarHBondContact OD1-N 3.46Å; D16-K19 HydrophobicContact CB-CB 4.02Å; D16-K19 HydrophobicContact CB-CD 4Å; D16-K19 HydrophobicContact CB-CG 4.14Å; D16-K19 PolarHBondContact O-N 3.35Å; D16-K19 VanDerWaalsContact O-N 3.07Å; D16-K19 PolarHBondContact OD1-N 2.93Å; D16-K19 WeakPolarHBondContact OD2-CD 3.43Å; D16-K19 WeakPolarHBondContact OD2-CE 3.46Å; D16-K19 VanDerWaalsContact OD2-CG 3.26Å; D16-K19 WeakPolarHBondContact OD2-CG 3.25Å; D16-K19 IonicContact OD2-NZ 3.96Å; D16-V20 WeakPolarHBondContact O-CG1 3.34Å; D16-V20 WeakPolarHBondContact O-CG2 3.49Å; D16-V20 PolarHBondContact O-N 3.19Å
17P90.8Very high74.9Confident14 Ų1455.9 Ų55.99%0.09133%0.328CS..Hα-helixtrans-50.1-36.8179.9-29.536.5000113.8Y15 V20 G21 Y30 L35 A38Y15-P17 HydrophobicContact CD1-CG 4.3Å; Y15-P17 HydrophobicContact CE1-CG 3.92Å; P17-V20 VanDerWaalsContact O-CG2 3.27Å; P17-V20 WeakPolarHBondContact O-CG2 3.48Å; P17-G21 PolarHBondContact O-N 3.12Å; P17-Y30 HydrophobicContact CB-CE1 4.36Å; P17-L35 WeakPolarHBondContact O-CD2 3.41Å; P17-A38 HydrophobicContact CB-CB 3.84Å; P17-A38 HydrophobicContact CG-CB 3.74Å
18L87.8Confident76.1Confident33 Ų3354.6 Ų54.617%0.17333%0.329CS..Hα-helixtrans-68.4-48.4-180-176.662.2000110.5D16 V20 G21 N22 Q29 Y30D16-L18 PolarHBondContact O-N 3.4Å; D16-L18 VanDerWaalsContact O-N 3.13Å; D16-L18 VanDerWaalsContact OD1-CB 3.31Å; D16-L18 WeakPolarHBondContact OD1-CB 3.49Å; D16-L18 PolarHBondContact OD1-N 3.46Å; L18-V20 PolarHBondContact O-N 3.43Å; L18-G21 PolarHBondContact O-N 3.26Å; L18-N22 WeakPolarHBondContact CD1-ND2 3.23Å; L18-N22 WeakPolarHBondContact O-CB 3.44Å; L18-N22 VanDerWaalsContact O-CG 3.28Å; L18-N22 PolarHBondContact O-N 3.2Å; L18-N22 PolarHBondContact O-ND2 3.22Å; L18-Q29 VanDerWaalsContact CD1-O 3.27Å; L18-Q29 WeakPolarHBondContact CD1-O 3.49Å; L18-Y30 HydrophobicContact CB-CD1 4.36Å; L18-Y30 HydrophobicContact CB-CE1 3.69Å; L18-Y30 HydrophobicContact CD1-CD1 3.85Å; L18-Y30 HydrophobicContact CD1-CE1 3.94Å; L18-Y30 HydrophobicContact CD1-CG 4.25Å; L18-Y30 HydrophobicContact CG-CE1 4.38Å
19K86.4Confident77.3Confident80 Ų8053.7 Ų53.735%0.34833%0.325SS..Hα-helixtrans-70.1-32.7-178.7-68.5178.8-174.9178.70113.3D16 G21 N22 Y167 H171D16-K19 HydrophobicContact CB-CB 4.02Å; D16-K19 HydrophobicContact CB-CD 4Å; D16-K19 HydrophobicContact CB-CG 4.14Å; D16-K19 PolarHBondContact O-N 3.35Å; D16-K19 VanDerWaalsContact O-N 3.07Å; D16-K19 PolarHBondContact OD1-N 2.93Å; D16-K19 WeakPolarHBondContact OD2-CD 3.43Å; D16-K19 WeakPolarHBondContact OD2-CE 3.46Å; D16-K19 VanDerWaalsContact OD2-CG 3.26Å; D16-K19 WeakPolarHBondContact OD2-CG 3.25Å; D16-K19 IonicContact OD2-NZ 3.96Å; K19-G21 VanDerWaalsContact C-N 3.33Å; K19-N22 PolarHBondContact O-N 3.06Å; K19-N22 VanDerWaalsContact O-O 3.09Å; K19-Y167 HydrophobicContact CB-CD2 3.83Å; K19-Y167 HydrophobicContact CB-CE2 3.64Å; K19-Y167 HydrophobicContact CD-CE2 4.35Å; K19-H171 PolarHBondContact NZ-NE2 3.03Å
20V87.9Confident78.3Confident0 Ų056.8 Ų56.80%034%0.336CS..Hα-helixtrans-73.5-28.4177.9-57.40000111.6Y15 D16 P17 L18 N22 F148 R158 F159 Y167Y15-V20 HydrophobicContact CD2-CG1 4.09Å; Y15-V20 HydrophobicContact CE2-CB 4.46Å; Y15-V20 HydrophobicContact CE2-CG1 3.79Å; Y15-V20 HydrophobicContact CE2-CG2 4.21Å; D16-V20 WeakPolarHBondContact O-CG1 3.34Å; D16-V20 WeakPolarHBondContact O-CG2 3.49Å; D16-V20 PolarHBondContact O-N 3.19Å; P17-V20 VanDerWaalsContact O-CG2 3.27Å; P17-V20 WeakPolarHBondContact O-CG2 3.48Å; L18-V20 PolarHBondContact O-N 3.43Å; V20-N22 VanDerWaalsContact C-N 3.31Å; V20-F148 HydrophobicContact CB-CD1 4.5Å; V20-F148 HydrophobicContact CB-CE1 4.31Å; V20-F148 HydrophobicContact CG1-CD1 4.25Å; V20-F148 HydrophobicContact CG1-CE1 3.59Å; V20-R158 CarbonylContact O-C 3.47Å; V20-R158 VanDerWaalsContact O-CA 3.24Å; V20-R158 WeakPolarHBondContact O-CA 3.24Å; V20-F159 WeakPolarHBondContact CB-O 3.27Å; V20-F159 WeakPolarHBondContact CG1-O 3.49Å; V20-F159 WeakPolarHBondContact O-CD2 3.39Å; V20-F159 PolarHBondContact O-N 2.94Å; V20-Y167 HydrophobicContact CG1-CD1 4.28Å; V20-Y167 HydrophobicContact CG1-CD2 3.79Å; V20-Y167 HydrophobicContact CG1-CE1 4.23Å; V20-Y167 HydrophobicContact CG1-CE2 3.76Å; V20-Y167 HydrophobicContact CG1-CG 4.05Å
21G86Confident79.1Confident19 Ų1960.3 Ų60.320%0.19635%0.348CS..Hα-helixtrans-75.1-20.3174.600000114P17 L18 K19P17-G21 PolarHBondContact O-N 3.12Å; L18-G21 PolarHBondContact O-N 3.26Å; K19-G21 VanDerWaalsContact C-N 3.33Å
22N80.5Confident79.9Confident13 Ų1356.7 Ų56.77%0.0732%0.324CS..  trans-112.3108.7-169.9-65.6-26.1000110.7L18 K19 V20 I24 S27 H31L18-N22 WeakPolarHBondContact CD1-ND2 3.23Å; L18-N22 WeakPolarHBondContact O-CB 3.44Å; L18-N22 VanDerWaalsContact O-CG 3.28Å; L18-N22 PolarHBondContact O-N 3.2Å; L18-N22 PolarHBondContact O-ND2 3.22Å; K19-N22 PolarHBondContact O-N 3.06Å; K19-N22 VanDerWaalsContact O-O 3.09Å; V20-N22 VanDerWaalsContact C-N 3.31Å; N22-I24 PolarHBondContact O-N 3.1Å; N22-S27 PolarHBondContact ND2-O 3.02Å; N22-S27 PolarHBondContact ND2-OG 3.05Å; N22-S27 PolarHBondContact OD1-OG 3.1Å; N22-H31 PolarHBondContact OD1-CD2 2.67Å
23A68.4Low80.6Confident42 Ų4265.3 Ų65.335%0.34735%0.354SS..SBendtrans-57.5-37.8176.500000111.9F159A23-F159 VanDerWaalsContact CA-CE2 3.48Å; A23-F159 HydrophobicContact CB-CD2 4.16Å; A23-F159 HydrophobicContact CB-CE1 4.1Å; A23-F159 HydrophobicContact CB-CE2 3.43Å; A23-F159 VanDerWaalsContact CB-CE2 3.43Å; A23-F159 HydrophobicContact CB-CZ 3.38Å
24I66.3Low81Confident127 Ų12765.1 Ų65.165%0.65136%0.355SS*.SBendtrans-105.1107.7176.9-49.7173.1000103.6N22 S26N22-I24 PolarHBondContact O-N 3.1Å; I24-S26 VanDerWaalsContact CG2-OG 3.28Å; I24-S26 WeakPolarHBondContact CG2-OG 3.48Å; I24-S26 PolarHBondContact O-N 3.12Å
25A62.2Low81.2Confident59 Ų5962.5 Ų62.549%0.48834%0.337SS..THydrogen-bonded Turntrans-65.524.9-176.700000114
26S65.7Low81.2Confident90 Ų9064.9 Ų64.963%0.62935%0.35SS*.THydrogen-bonded Turntrans-91.9-27.8-177.4600000113.4I24I24-S26 VanDerWaalsContact CG2-OG 3.28Å; I24-S26 WeakPolarHBondContact CG2-OG 3.48Å; I24-S26 PolarHBondContact O-N 3.12Å
27S70.8Confident81.4Confident36 Ų3666.1 Ų66.125%0.25236%0.362SS..  trans-85.4123.8-175.763.40000111.6N22 Q29 H31N22-S27 PolarHBondContact ND2-O 3.02Å; N22-S27 PolarHBondContact ND2-OG 3.05Å; N22-S27 PolarHBondContact OD1-OG 3.1Å; S27-Q29 VanDerWaalsContact C-N 3.28Å; S27-Q29 PolarHBondContact O-N 2.65Å; S27-H31 PolarHBondContact OG-NE2 3.39Å
28S76.3Confident81.6Confident107 Ų10765.5 Ų65.575%0.74836%0.358SS*.  trans-87.88178-62.10000113.7
29Q79.9Confident81.8Confident145 Ų14566.2 Ų66.268%0.67837%0.366SS*.SBendtrans-112146.5-177.5-62-17619.100111.4L18 S27 H31L18-Q29 VanDerWaalsContact CD1-O 3.27Å; L18-Q29 WeakPolarHBondContact CD1-O 3.49Å; S27-Q29 VanDerWaalsContact C-N 3.28Å; S27-Q29 PolarHBondContact O-N 2.65Å; Q29-H31 PolarHBondContact O-NE2 3.19Å
30Y79.7Confident82.2Confident89 Ų8971.2 Ų71.235%0.34938%0.382SS..  trans-82.8115.8172.2-62.7-75.3000109.6P17 L18 L35 L36 S39P17-Y30 HydrophobicContact CB-CE1 4.36Å; L18-Y30 HydrophobicContact CB-CD1 4.36Å; L18-Y30 HydrophobicContact CB-CE1 3.69Å; L18-Y30 HydrophobicContact CD1-CD1 3.85Å; L18-Y30 HydrophobicContact CD1-CE1 3.94Å; L18-Y30 HydrophobicContact CD1-CG 4.25Å; L18-Y30 HydrophobicContact CG-CE1 4.38Å; Y30-L35 HydrophobicContact CD1-CB 3.61Å; Y30-L35 HydrophobicContact CE1-CB 4.34Å; Y30-L35 HydrophobicContact CG-CB 4.46Å; Y30-L36 HydrophobicContact CD2-CD1 4.02Å; Y30-L36 HydrophobicContact CE2-CD1 4.29Å; Y30-S39 WeakPolarHBondContact OH-CB 3.24Å
31H78.5Confident82.5Confident127 Ų12772.6 Ų72.659%0.58839%0.394SS*.SBendtrans-86.2-6.1-178.6-55.1-67000114N22 S27 Q29N22-H31 PolarHBondContact OD1-CD2 2.67Å; S27-H31 PolarHBondContact OG-NE2 3.39Å; Q29-H31 PolarHBondContact O-NE2 3.19Å
32D84.6Confident82.8Confident41 Ų4182.7 Ų82.722%0.21943%0.426CS..SBendtrans-140.1140.2177.5176.313.9000110.4A34 L35 L36 Q156D32-A34 PolarHBondContact O-N 2.83Å; D32-A34 PolarHBondContact OD1-N 2.65Å; D32-A34 VanDerWaalsContact OD1-N 3.09Å; D32-A34 VanDerWaalsContact OD2-CB 3.28Å; D32-A34 WeakPolarHBondContact OD2-CB 3.46Å; D32-L35 HydrophobicContact CB-CG 4.48Å; D32-L35 PolarHBondContact O-N 3.22Å; D32-L36 PolarHBondContact O-N 3.42Å; D32-Q156 WeakPolarHBondContact OD2-CG 3.26Å
33R90.5Very high83.4Confident217 Ų21784.1 Ų84.182%0.81943%0.431SS*.Hα-helixtrans-53-34.1173.5-71.5-173.6175.6175.6-0.7112.1L35 L36 S37R33-L35 VanDerWaalsContact C-N 3.32Å; R33-L35 PolarHBondContact O-N 3.13Å; R33-L36 PolarHBondContact O-N 3.47Å; R33-S37 PolarHBondContact O-N 2.8Å; R33-S37 PolarHBondContact O-OG 2.9Å
34A90.7Very high84.4Confident17 Ų1789.1 Ų89.114%0.1445%0.446CS..Hα-helixtrans-61.8-40.1178.600000112.1D32 L36 S37 A38 G145 R158D32-A34 PolarHBondContact O-N 2.83Å; D32-A34 PolarHBondContact OD1-N 2.65Å; D32-A34 VanDerWaalsContact OD1-N 3.09Å; D32-A34 VanDerWaalsContact OD2-CB 3.28Å; D32-A34 WeakPolarHBondContact OD2-CB 3.46Å; A34-L36 VanDerWaalsContact C-N 3.35Å; A34-S37 WeakPolarHBondContact O-CB 3.31Å; A34-S37 PolarHBondContact O-N 2.86Å; A34-A38 PolarHBondContact O-N 3.22Å; A34-G145 CarbonylContact C-O 3.19Å; A34-G145 CarbonylContact O-C 3.45Å; A34-G145 VanDerWaalsContact O-CA 3.31Å; A34-G145 WeakPolarHBondContact O-CA 3.48Å; A34-R158 VanDerWaalsContact CB-NH2 3.32Å
35L90.6Very high85.5Confident8 Ų885.5 Ų85.54%0.04243%0.431CS..Hα-helixtrans-68.4-36.4178.1-57.9174.9000111.8P17 Y30 D32 R33 S37 A38 S39 R158P17-L35 WeakPolarHBondContact O-CD2 3.41Å; Y30-L35 HydrophobicContact CD1-CB 3.61Å; Y30-L35 HydrophobicContact CE1-CB 4.34Å; Y30-L35 HydrophobicContact CG-CB 4.46Å; D32-L35 HydrophobicContact CB-CG 4.48Å; D32-L35 PolarHBondContact O-N 3.22Å; R33-L35 VanDerWaalsContact C-N 3.32Å; R33-L35 PolarHBondContact O-N 3.13Å; L35-S37 VanDerWaalsContact C-N 3.35Å; L35-A38 PolarHBondContact O-N 2.98Å; L35-S39 PolarHBondContact O-N 3.13Å; L35-R158 HydrophobicContact CD2-CG 4.49Å; L35-R158 VanDerWaalsContact CD2-NH1 3.33Å
36L91.9Very high86.7Confident56 Ų5686.3 Ų86.329%0.29343%0.427SS..Hα-helixtrans-64.8-38.9172.3-176.464.6000111.8Y30 D32 R33 A34 A38 S39 R40Y30-L36 HydrophobicContact CD2-CD1 4.02Å; Y30-L36 HydrophobicContact CE2-CD1 4.29Å; D32-L36 PolarHBondContact O-N 3.42Å; R33-L36 PolarHBondContact O-N 3.47Å; A34-L36 VanDerWaalsContact C-N 3.35Å; L36-A38 VanDerWaalsContact C-N 3.34Å; L36-S39 PolarHBondContact O-N 3.2Å; L36-S39 PolarHBondContact O-OG 2.56Å; L36-R40 WeakPolarHBondContact O-CG 3.33Å; L36-R40 PolarHBondContact O-N 2.93Å
37S93.7Very high87.8Confident68 Ų6890.1 Ų90.148%0.47644%0.435SS..Hα-helixtrans-62.6-42172.4-65.40000111.4R33 A34 L35 R40 A41 L144R33-S37 PolarHBondContact O-N 2.8Å; R33-S37 PolarHBondContact O-OG 2.9Å; A34-S37 WeakPolarHBondContact O-CB 3.31Å; A34-S37 PolarHBondContact O-N 2.86Å; L35-S37 VanDerWaalsContact C-N 3.35Å; S37-R40 PolarHBondContact O-N 3.24Å; S37-A41 WeakPolarHBondContact O-CB 3.27Å; S37-A41 PolarHBondContact O-N 3.46Å; S37-L144 CarbonylContact C-O 3.5Å
38A94.3Very high88.7Confident2 Ų298.5 Ų98.52%0.01746%0.462CS..Hα-helixtrans-67-36.4176.800000113.6P17 A34 L35 L36 R40 A41 V140 L144 G145P17-A38 HydrophobicContact CB-CB 3.84Å; P17-A38 HydrophobicContact CG-CB 3.74Å; A34-A38 PolarHBondContact O-N 3.22Å; L35-A38 PolarHBondContact O-N 2.98Å; L36-A38 VanDerWaalsContact C-N 3.34Å; A38-R40 PolarHBondContact O-N 3.05Å; A38-A41 WeakPolarHBondContact O-CB 3.2Å; A38-A41 PolarHBondContact O-N 3.35Å; A38-V140 HydrophobicContact CB-CB 4.28Å; A38-V140 HydrophobicContact CB-CG1 3.9Å; A38-L144 WeakPolarHBondContact CA-O 3.31Å; A38-L144 PolarHBondContact N-O 3.25Å; A38-G145 VanDerWaalsContact CB-C 3.46Å; A38-G145 WeakPolarHBondContact CB-O 3.42Å
39S93.1Very high89.3Confident47 Ų4795.6 Ų95.633%0.32944%0.439SS..Hα-helixtrans-67.8-22.8177.768.60000113.1Y30 L35 L36Y30-S39 WeakPolarHBondContact OH-CB 3.24Å; L35-S39 PolarHBondContact O-N 3.13Å; L36-S39 PolarHBondContact O-N 3.2Å; L36-S39 PolarHBondContact O-OG 2.56Å
40R94.5Very high89.7Confident186 Ų18695.7 Ų95.770%0.70244%0.437SS*.Hα-helixtrans-96.2-9.8174.8-63.9174.7178.5170.1-1.5113.3L36 S37 A38 R42L36-R40 WeakPolarHBondContact O-CG 3.33Å; L36-R40 PolarHBondContact O-N 2.93Å; S37-R40 PolarHBondContact O-N 3.24Å; A38-R40 PolarHBondContact O-N 3.05Å; R40-R42 PolarHBondContact O-N 3.47Å
41A94.3Very high90.3Very high29 Ų2992.9 Ų92.924%0.2444%0.436CS..  trans-70.8130.3-175.400000111S37 A38 V140 L144S37-A41 WeakPolarHBondContact O-CB 3.27Å; S37-A41 PolarHBondContact O-N 3.46Å; A38-A41 WeakPolarHBondContact O-CB 3.2Å; A38-A41 PolarHBondContact O-N 3.35Å; A41-V140 HydrophobicContact CB-CG1 3.83Å; A41-V140 HydrophobicContact CB-CG2 4.41Å; A41-L144 HydrophobicContact CB-CB 4.05Å; A41-L144 HydrophobicContact CB-CD1 4.21Å
42R91.7Very high91.1Very high231 Ų23190.1 Ų90.187%0.87243%0.425SS*.  trans-98.790.8167-66-176.6-176.8173.90.7108.5R40R40-R42 PolarHBondContact O-N 3.47Å
43Y93.2Very high91.5Very high43 Ų4389.4 Ų89.417%0.16942%0.423CS..  trans-102129.3177.7-173.8-107.2000110.9P45 E133 W139 P141 R143 L144Y43-P45 HydrophobicContact CE1-CG 4.41Å; Y43-E133 HydrophobicContact CE1-CG 4.04Å; Y43-E133 PolarHBondContact OH-OE1 2.81Å; Y43-W139 VanDerWaalsContact CD1-O 3.31Å; Y43-W139 WeakPolarHBondContact CD1-O 3.37Å; Y43-P141 HydrophobicContact CD1-CG 4.37Å; Y43-P141 HydrophobicContact CD2-CG 3.81Å; Y43-P141 HydrophobicContact CE1-CG 4.28Å; Y43-P141 HydrophobicContact CE2-CG 3.74Å; Y43-P141 VanDerWaalsContact CG-CD 3.42Å; Y43-P141 HydrophobicContact CG-CG 4.11Å; Y43-R143 PolarHBondContact OH-NH2 3.31Å; Y43-L144 HydrophobicContact CD2-CD1 3.75Å; Y43-L144 HydrophobicContact CG-CD1 4.27Å
44H90.9Very high91.7Very high146 Ų14684.5 Ų84.568%0.67641%0.407SS*.  trans-117.5125.5170.6-62.988.7000108.3
45P89.4Confident92Very high52 Ų5284.4 Ų84.434%0.33841%0.405SS..  trans-52.8149.1172.5-30.338.5000112.5Y43 E47 E133 R134Y43-P45 HydrophobicContact CE1-CG 4.41Å; P45-E47 PolarHBondContact O-N 3.47Å; P45-E133 WeakPolarHBondContact CA-OE1 3.33Å; P45-E133 HydrophobicContact CB-CG 3.85Å; P45-E133 HydrophobicContact CG-CG 4.05Å; P45-E133 WeakPolarHBondContact CG-O 3.44Å; P45-R134 HydrophobicContact CB-CG 4.42Å
46N87.6Confident92.3Very high75 Ų7584.2 Ų84.240%0.40140%0.404SS..  trans-69.7107.1177.6-176.4-7000111.3R48 V49N46-R48 PolarHBondContact O-N 2.87Å; N46-R48 VanDerWaalsContact O-N 3.1Å; N46-R48 VanDerWaalsContact OD1-CB 3.27Å; N46-R48 WeakPolarHBondContact OD1-CB 3.42Å; N46-R48 WeakPolarHBondContact OD1-CG 3.46Å; N46-R48 PolarHBondContact OD1-N 3.35Å; N46-V49 HydrophobicContact CB-CG2 4.08Å; N46-V49 WeakPolarHBondContact O-CB 3.37Å; N46-V49 WeakPolarHBondContact O-CG2 2.9Å; N46-V49 PolarHBondContact O-N 3.22Å
47E87.3Confident92.5Very high171 Ų17181.5 Ų81.580%0.79939%0.39SS*.THydrogen-bonded Turntrans-61.8-17.9-179.3-60.3-178.417400114.4P45 V49P45-E47 PolarHBondContact O-N 3.47Å; E47-V49 PolarHBondContact O-N 2.84Å
48R89.5Confident92.7Very high212 Ų21280.4 Ų80.480%0.838%0.377SS*.THydrogen-bonded Turntrans-72.4-19.8176.6-58.7-179.7-178.7165.50.8112.1N46 K50N46-R48 PolarHBondContact O-N 2.87Å; N46-R48 VanDerWaalsContact O-N 3.1Å; N46-R48 VanDerWaalsContact OD1-CB 3.27Å; N46-R48 WeakPolarHBondContact OD1-CB 3.42Å; N46-R48 WeakPolarHBondContact OD1-CG 3.46Å; N46-R48 PolarHBondContact OD1-N 3.35Å; R48-K50 PolarHBondContact O-N 3Å; R48-K50 VanDerWaalsContact O-N 3.1Å
49V89.6Confident92.9Very high45 Ų4580.3 Ų80.327%0.27338%0.376SS..  trans-71.1107.1178.2-175.90000109.3N46 E47 R134N46-V49 HydrophobicContact CB-CG2 4.08Å; N46-V49 WeakPolarHBondContact O-CB 3.37Å; N46-V49 WeakPolarHBondContact O-CG2 2.9Å; N46-V49 PolarHBondContact O-N 3.22Å; E47-V49 PolarHBondContact O-N 2.84Å; V49-R134 PolarHBondContact O-NH1 3.18Å
50K89.3Confident93Very high147 Ų14778.1 Ų78.164%0.63936%0.361SS*.  trans-87.1156.4177.3-55.9-53.8-178.3-171.40111.2R48 R83R48-K50 PolarHBondContact O-N 3Å; R48-K50 VanDerWaalsContact O-N 3.1Å; K50-R83 PolarHBondContact O-NH2 3.42Å
51G91.7Very high93.1Very high31 Ų3172.7 Ų72.732%0.3235%0.346SS..SBendtrans114.2166.9175.100000113.3P53 E102 R134G51-P53 WeakPolarHBondContact O-CD 3.16Å; G51-E102 WeakPolarHBondContact CA-OE1 3.36Å; G51-R134 PolarHBondContact O-NH1 3.49Å
52D94.2Very high93.2Very high69 Ų6971.3 Ų71.337%0.36933%0.334SS..  trans-82118176.9179.29.1000109.4K54 C55 T56D52-K54 PolarHBondContact O-N 2.98Å; D52-K54 VanDerWaalsContact OD1-CB 3.25Å; D52-K54 WeakPolarHBondContact OD1-CB 3.13Å; D52-K54 PolarHBondContact OD1-N 3.38Å; D52-C55 HydrophobicContact CB-CB 4.06Å; D52-C55 WeakPolarHBondContact O-CA 3.49Å; D52-C55 PolarHBondContact O-N 3.01Å; D52-C55 PolarHBondContact OD2-SG 3.21Å; D52-T56 PolarHBondContact O-N 2.89Å; D52-T56 PolarHBondContact O-OG1 2.9Å
53P94.1Very high93.5Very high25 Ų2561.4 Ų61.416%0.16230%0.299CS..G310 helixtrans-65.9-19.9176.531.2-38.4000112.6G51 C55 T56 E131 R134 L135G51-P53 WeakPolarHBondContact O-CD 3.16Å; P53-C55 VanDerWaalsContact C-N 3.27Å; P53-T56 PolarHBondContact O-N 2.71Å; P53-E131 VanDerWaalsContact CA-OE2 3.27Å; P53-E131 WeakPolarHBondContact CA-OE2 3.42Å; P53-E131 WeakPolarHBondContact CB-OE2 3.2Å; P53-R134 HydrophobicContact CB-CB 3.67Å; P53-R134 HydrophobicContact CG-CB 3.92Å; P53-L135 HydrophobicContact CB-CD2 3.98Å; P53-L135 HydrophobicContact CB-CG 3.99Å; P53-L135 HydrophobicContact CG-CD2 3.9Å; P53-L135 HydrophobicContact CG-CG 4.39Å
54K94.3Very high93.7Very high115 Ų11565.9 Ų65.950%0.532%0.316SS..G310 helixtrans-71.6-24.8168.9-59.7176-177.4173.10111D52 T56 R106 L135D52-K54 PolarHBondContact O-N 2.98Å; D52-K54 VanDerWaalsContact OD1-CB 3.25Å; D52-K54 WeakPolarHBondContact OD1-CB 3.13Å; D52-K54 PolarHBondContact OD1-N 3.38Å; K54-T56 PolarHBondContact O-N 3.36Å; K54-R106 VanDerWaalsContact C-NH1 3.26Å; K54-R106 WeakPolarHBondContact O-CD 3.29Å; K54-R106 VanDerWaalsContact O-CZ 3.29Å; K54-R106 PolarHBondContact O-NE 3.43Å; K54-R106 PolarHBondContact O-NH1 3.44Å; K54-L135 HydrophobicContact CG-CD2 3.74Å
55C96.6Very high94Very high14 Ų1466.7 Ų66.710%0.09532%0.32CS..G310 helixtrans-87.23.9173-64.50000112.7D52 P53 E102 F103 R106D52-C55 HydrophobicContact CB-CB 4.06Å; D52-C55 WeakPolarHBondContact O-CA 3.49Å; D52-C55 PolarHBondContact O-N 3.01Å; D52-C55 PolarHBondContact OD2-SG 3.21Å; P53-C55 VanDerWaalsContact C-N 3.27Å; C55-E102 HydrophobicContact CB-CG 4.34Å; C55-E102 CarbonylContact O-C 3.52Å; C55-E102 WeakPolarHBondContact O-CA 3.49Å; C55-F103 WeakPolarHBondContact CB-O 3.31Å; C55-F103 PolarHBondContact O-N 3.06Å; C55-R106 PolarHBondContact SG-N 2.87Å; C55-R106 VanDerWaalsContact SG-N 3.4Å
56T97.3Very high94.4Very high4 Ų464.3 Ų64.33%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-116.5132.7-171.9-52.10000111.7D52 P53 K54 F100 V101 E102 E131D52-T56 PolarHBondContact O-N 2.89Å; D52-T56 PolarHBondContact O-OG1 2.9Å; P53-T56 PolarHBondContact O-N 2.71Å; K54-T56 PolarHBondContact O-N 3.36Å; T56-F100 HydrophobicContact CG2-CB 4.03Å; T56-F100 HydrophobicContact CG2-CD1 4.42Å; T56-V101 WeakPolarHBondContact CA-O 3.43Å; T56-E102 HydrophobicContact CG2-CB 4.43Å; T56-E131 WeakPolarHBondContact CB-OE2 3.35Å; T56-E131 HydrophobicContact CG2-CB 4.27Å; T56-E131 HydrophobicContact CG2-CG 4.41Å; T56-E131 WeakPolarHBondContact CG2-OE2 3.2Å
57V97.1Very high94.8Very high0 Ų063.7 Ų63.70%030%0.301CS..EExtended strand (participates in β ladder)trans-107.6142.8171.6-58.80000110.6V59 F75 F100 V101 F103 A109 A112 V128 D129V57-V59 HydrophobicContact CG2-CG2 4.28Å; V57-F75 HydrophobicContact CG2-CE1 4.27Å; V57-F100 WeakPolarHBondContact O-CA 3.38Å; V57-V101 HydrophobicContact CG2-CB 3.88Å; V57-V101 PolarHBondContact N-O 3.47Å; V57-V101 PolarHBondContact O-N 3.14Å; V57-F103 HydrophobicContact CG1-CE2 4.48Å; V57-F103 HydrophobicContact CG2-CE2 3.94Å; V57-A109 HydrophobicContact CG1-CB 4.25Å; V57-A109 WeakPolarHBondContact CG1-O 3.38Å; V57-A112 HydrophobicContact CG1-CB 4.4Å; V57-V128 HydrophobicContact CB-CG1 3.8Å; V57-V128 HydrophobicContact CG1-CG1 4.23Å; V57-V128 HydrophobicContact CG2-CG1 4.08Å; V57-D129 WeakPolarHBondContact CA-O 3.4Å
58F97.2Very high95.4Very high45 Ų4559 Ų5920%0.19728%0.279CS..EExtended strand (participates in β ladder)trans-86.1134.7168.1174-87.6000109Y98 F100 F127 V128 D129F58-Y98 HydrophobicContact CD2-CD2 4.29Å; F58-Y98 AromaticContact CE2-CD2 3.5Å; F58-Y98 HydrophobicContact CE2-CD2 3.5Å; F58-Y98 VanDerWaalsContact CE2-CD2 3.5Å; F58-Y98 HydrophobicContact CE2-CE2 4.29Å; F58-Y98 AromaticContact CE2-CG 3.85Å; F58-Y98 HydrophobicContact CE2-CG 3.85Å; F58-Y98 HydrophobicContact CZ-CD2 4.22Å; F58-Y98 HydrophobicContact CZ-CG 4.1Å; F58-F100 HydrophobicContact CD2-CD1 4.34Å; F58-F100 AromaticContact CD2-CE1 3.74Å; F58-F100 HydrophobicContact CD2-CE1 3.74Å; F58-F100 HydrophobicContact CD2-CZ 4.13Å; F58-F127 AromaticContact CD1-CE2 3.88Å; F58-F127 HydrophobicContact CD1-CE2 3.88Å; F58-F127 HydrophobicContact CD1-CZ 4.48Å; F58-F127 HydrophobicContact CE1-CD2 4.38Å; F58-F127 AromaticContact CE1-CE2 3.42Å; F58-F127 HydrophobicContact CE1-CE2 3.42Å; F58-F127 VanDerWaalsContact CE1-CE2 3.42Å; F58-F127 AromaticContact CE1-CZ 3.6Å; F58-F127 HydrophobicContact CE1-CZ 3.6Å; F58-F127 HydrophobicContact CZ-CZ 4.42Å; F58-V128 CarbonylContact O-C 3.52Å; F58-V128 VanDerWaalsContact O-CA 3.32Å; F58-V128 WeakPolarHBondContact O-CA 3.22Å; F58-D129 HydrophobicContact CD1-CB 4.43Å; F58-D129 PolarHBondContact N-O 2.92Å; F58-D129 PolarHBondContact O-N 3.37Å
59V97.8Very high95.8Very high0 Ų056 Ų560%027%0.271CS..EExtended strand (participates in β ladder)trans-122.2120.6175.9-170.50000108.3V57 L62 F75 Y98 A99 V101 I126 F127V57-V59 HydrophobicContact CG2-CG2 4.28Å; V59-L62 HydrophobicContact CG1-CD2 3.74Å; V59-L62 HydrophobicContact CG1-CG 4.43Å; V59-F75 HydrophobicContact CB-CZ 4.17Å; V59-F75 HydrophobicContact CG1-CE2 3.98Å; V59-F75 HydrophobicContact CG1-CZ 3.71Å; V59-F75 HydrophobicContact CG2-CE1 3.75Å; V59-F75 HydrophobicContact CG2-CE2 3.91Å; V59-F75 HydrophobicContact CG2-CZ 3.32Å; V59-Y98 CarbonylContact O-C 3.42Å; V59-Y98 WeakPolarHBondContact O-CA 3.45Å; V59-Y98 VanDerWaalsContact O-CB 3.23Å; V59-Y98 WeakPolarHBondContact O-CB 3.36Å; V59-A99 PolarHBondContact N-O 2.65Å; V59-A99 PolarHBondContact O-N 3.34Å; V59-V101 HydrophobicContact CG2-CG2 3.97Å; V59-I126 HydrophobicContact CG1-CB 4.31Å; V59-I126 HydrophobicContact CG1-CD1 3.83Å; V59-I126 HydrophobicContact CG1-CG1 4.3Å; V59-F127 WeakPolarHBondContact CA-O 3.41Å
60G96.2Very high96.2Very high1 Ų156.8 Ų56.81%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-123.6172.5-178.800000113.6L62 I126 F127G60-L62 VanDerWaalsContact C-N 3.3Å; G60-L62 PolarHBondContact O-N 3.27Å; G60-I126 WeakPolarHBondContact O-CA 3.45Å; G60-I126 WeakPolarHBondContact O-CB 3.18Å; G60-F127 PolarHBondContact N-O 3.44Å; G60-F127 PolarHBondContact O-N 2.88Å; G60-F127 VanDerWaalsContact O-N 3.11Å
61N95.5Very high96.6Very high71 Ų7149.8 Ų49.838%0.3824%0.242SC..SBendtrans6134.7-176-163.942.9000113.6R97 Q125 F127N61-R97 PolarHBondContact N-O 2.78Å; N61-Q125 PolarHBondContact ND2-O 2.87Å; N61-F127 HydrophobicContact CB-CD1 3.85Å; N61-F127 HydrophobicContact CB-CE1 3.95Å
62L97.7Very high96.9Very high0 Ų053.6 Ų53.60%025%0.247CC..  trans-66.9153.6175.3-59.2175.8000111V59 G60 L71 L86 R97 A99 L121 I126V59-L62 HydrophobicContact CG1-CD2 3.74Å; V59-L62 HydrophobicContact CG1-CG 4.43Å; G60-L62 VanDerWaalsContact C-N 3.3Å; G60-L62 PolarHBondContact O-N 3.27Å; L62-L71 HydrophobicContact CD1-CD1 4.02Å; L62-L71 HydrophobicContact CD1-CD2 4.03Å; L62-L71 HydrophobicContact CD2-CD2 3.67Å; L62-L86 HydrophobicContact CD1-CD1 3.72Å; L62-R97 HydrophobicContact CB-CB 4.44Å; L62-R97 PolarHBondContact N-O 3.42Å; L62-R97 WeakPolarHBondContact O-CB 3.37Å; L62-R97 PolarHBondContact O-NE 2.95Å; L62-R97 PolarHBondContact O-NH2 2.58Å; L62-A99 HydrophobicContact CD1-CB 3.9Å; L62-L121 HydrophobicContact CD2-CD2 4.35Å; L62-I126 HydrophobicContact CD2-CB 4.42Å; L62-I126 HydrophobicContact CD2-CG2 3.79Å
63N97.6Very high97.1Very high23 Ų2355 Ų5512%0.12326%0.255CS..  trans-62.6144.4161.7-170.2-28.4000108.2E65 T66 N122 Y124N63-E65 PolarHBondContact O-N 2.99Å; N63-E65 PolarHBondContact OD1-N 2.94Å; N63-T66 WeakPolarHBondContact CB-OG1 3.41Å; N63-T66 WeakPolarHBondContact O-CB 3.3Å; N63-T66 PolarHBondContact O-N 3.46Å; N63-T66 VanDerWaalsContact O-N 3.17Å; N63-N122 HydrophobicContact CB-CB 3.92Å; N63-N122 PolarHBondContact ND2-O 2.53Å; N63-N122 VanDerWaalsContact ND2-O 3.12Å; N63-Y124 HydrophobicContact CB-CD2 3.56Å; N63-Y124 HydrophobicContact CB-CE2 3.88Å; N63-Y124 HydrophobicContact CB-CG 4.25Å; N63-Y124 WeakPolarHBondContact ND2-CE2 3.37Å
64R96.7Very high97.3Very high138 Ų13854.2 Ų54.252%0.52125%0.25SS..THydrogen-bonded Turntrans-64-26.4177.4-176171.6169-167.9-10.9112S95 R97R64-S95 VanDerWaalsContact O-CB 3.29Å; R64-S95 WeakPolarHBondContact O-CB 3.47Å; R64-R97 HydrophobicContact CB-CG 4.43Å
65E96.7Very high97.5Very high163 Ų16348.7 Ų48.776%0.76223%0.226SC*.THydrogen-bonded Turntrans-85.2-12.1177.4-64.9173.8177.400113.2N63 D67N63-E65 PolarHBondContact O-N 2.99Å; N63-E65 PolarHBondContact OD1-N 2.94Å; E65-D67 PolarHBondContact O-N 3.33Å
66T98Very high97.5Very high2 Ų250.1 Ų50.11%0.01224%0.236CC..  trans-61.7128.1179.1-66.90000110.8N63 E70 L71 L86 L121 N122N63-T66 WeakPolarHBondContact CB-OG1 3.41Å; N63-T66 WeakPolarHBondContact O-CB 3.3Å; N63-T66 PolarHBondContact O-N 3.46Å; N63-T66 VanDerWaalsContact O-N 3.17Å; T66-E70 VanDerWaalsContact CA-OE2 3.23Å; T66-E70 WeakPolarHBondContact CA-OE2 3.43Å; T66-E70 HydrophobicContact CG2-CB 4.35Å; T66-L71 HydrophobicContact CG2-CD1 4.27Å; T66-L71 HydrophobicContact CG2-CD2 4.01Å; T66-L71 HydrophobicContact CG2-CG 3.73Å; T66-L86 WeakPolarHBondContact O-CD2 3.46Å; T66-L121 HydrophobicContact CG2-CD2 3.79Å; T66-L121 HydrophobicContact CG2-CG 4.43Å; T66-N122 PolarHBondContact OG1-ND2 2.85Å
67D97.4Very high97.6Very high61 Ų6157.6 Ų57.633%0.32626%0.264SS..  trans-102.4172.3179.67718000113.4E65 K69 E70 L71E65-D67 PolarHBondContact O-N 3.33Å; D67-K69 PolarHBondContact O-N 3.46Å; D67-K69 WeakPolarHBondContact OD1-CA 3.32Å; D67-K69 WeakPolarHBondContact OD1-CB 3.28Å; D67-K69 PolarHBondContact OD1-N 3.33Å; D67-E70 PolarHBondContact N-OE2 3.4Å; D67-E70 WeakPolarHBondContact OD1-CG 3.24Å; D67-E70 PolarHBondContact OD1-N 3.47Å; D67-L71 WeakPolarHBondContact O-CG 3.5Å; D67-L71 PolarHBondContact O-N 3.05Å
68E98.1Very high97.6Very high73 Ų7358.1 Ų58.134%0.34127%0.266SS..Hα-helixtrans-62.9-29.4179-69.984.2168.900112.9Y72 L84 L86 R88E68-Y72 VanDerWaalsContact O-CB 3.31Å; E68-Y72 WeakPolarHBondContact O-CB 3.48Å; E68-Y72 PolarHBondContact O-N 2.91Å; E68-L84 HydrophobicContact CB-CD2 3.82Å; E68-L84 HydrophobicContact CG-CD2 3.78Å; E68-L86 HydrophobicContact CG-CB 3.81Å; E68-L86 HydrophobicContact CG-CD2 4.5Å; E68-L86 WeakPolarHBondContact OE1-CB 3.5Å; E68-R88 IonicContact OE1-CZ 2.65Å; E68-R88 IonicContact OE1-NE 3.73Å; E68-R88 PolarHBondContact OE1-NE 3.32Å; E68-R88 IonicContact OE1-NH2 2.67Å; E68-R88 PolarHBondContact OE1-NH2 3.36Å; E68-R88 IonicContact OE2-NH2 3.39Å; E68-R88 PolarHBondContact OE2-NH2 2.97Å
69K98.1Very high97.6Very high148 Ų14856.6 Ų56.664%0.64326%0.263SS*.Hα-helixtrans-74.6-43.9-179-178.9-175.9177.9-175.40111D67 L71 Y72 N73D67-K69 PolarHBondContact O-N 3.46Å; D67-K69 WeakPolarHBondContact OD1-CA 3.32Å; D67-K69 WeakPolarHBondContact OD1-CB 3.28Å; D67-K69 PolarHBondContact OD1-N 3.33Å; K69-L71 VanDerWaalsContact C-N 3.34Å; K69-Y72 PolarHBondContact O-N 3.23Å; K69-N73 WeakPolarHBondContact O-CB 3.45Å; K69-N73 PolarHBondContact O-N 3.24Å; K69-N73 PolarHBondContact O-ND2 3.45Å
70E98Very high97.6Very high62 Ų6262.8 Ų62.829%0.2929%0.292SS..Hα-helixtrans-62.2-43.3174.7-69.6176.1128.800111.1T66 D67 N73 A74 N122T66-E70 VanDerWaalsContact CA-OE2 3.23Å; T66-E70 WeakPolarHBondContact CA-OE2 3.43Å; T66-E70 HydrophobicContact CG2-CB 4.35Å; D67-E70 PolarHBondContact N-OE2 3.4Å; D67-E70 WeakPolarHBondContact OD1-CG 3.24Å; D67-E70 PolarHBondContact OD1-N 3.47Å; E70-N73 PolarHBondContact O-N 3.43Å; E70-A74 VanDerWaalsContact O-CB 3.24Å; E70-A74 WeakPolarHBondContact O-CB 3.18Å; E70-A74 PolarHBondContact O-N 2.84Å; E70-N122 PolarHBondContact OE1-ND2 2.85Å; E70-N122 PolarHBondContact OE1-OD1 3.17Å; E70-N122 PolarHBondContact OE2-ND2 2.84Å
71L98.3Very high97.7Very high0 Ų063.6 Ų63.60%030%0.296CS..Hα-helixtrans-62.6-44.4173.3-69.5167.4000111.6L62 T66 D67 K69 N73 A74 F75 L84 L86 A99 L121L62-L71 HydrophobicContact CD1-CD1 4.02Å; L62-L71 HydrophobicContact CD1-CD2 4.03Å; L62-L71 HydrophobicContact CD2-CD2 3.67Å; T66-L71 HydrophobicContact CG2-CD1 4.27Å; T66-L71 HydrophobicContact CG2-CD2 4.01Å; T66-L71 HydrophobicContact CG2-CG 3.73Å; D67-L71 WeakPolarHBondContact O-CG 3.5Å; D67-L71 PolarHBondContact O-N 3.05Å; K69-L71 VanDerWaalsContact C-N 3.34Å; L71-N73 VanDerWaalsContact C-N 3.34Å; L71-N73 PolarHBondContact O-N 3.45Å; L71-A74 PolarHBondContact O-N 3.02Å; L71-F75 HydrophobicContact CD2-CE2 4.25Å; L71-F75 WeakPolarHBondContact O-CB 3.25Å; L71-F75 WeakPolarHBondContact O-CD2 3.38Å; L71-F75 PolarHBondContact O-N 3.07Å; L71-L84 HydrophobicContact CB-CD1 3.7Å; L71-L84 HydrophobicContact CB-CD2 4.34Å; L71-L84 HydrophobicContact CD1-CD2 4.24Å; L71-L86 HydrophobicContact CD1-CB 4.3Å; L71-L86 HydrophobicContact CD1-CD1 4.12Å; L71-A99 HydrophobicContact CD1-CB 3.76Å; L71-L121 HydrophobicContact CD2-CD2 3.77Å
72Y98.5Very high97.8Very high112 Ų11265.9 Ų65.944%0.43930%0.302SS..Hα-helixtrans-58.8-47.4177-172.9-87000111E68 K69 F75 S76 I81E68-Y72 VanDerWaalsContact O-CB 3.31Å; E68-Y72 WeakPolarHBondContact O-CB 3.48Å; E68-Y72 PolarHBondContact O-N 2.91Å; K69-Y72 PolarHBondContact O-N 3.23Å; Y72-F75 PolarHBondContact O-N 2.82Å; Y72-S76 WeakPolarHBondContact CD1-OG 3.33Å; Y72-S76 VanDerWaalsContact CE1-OG 3.31Å; Y72-S76 WeakPolarHBondContact CE1-OG 3.38Å; Y72-S76 VanDerWaalsContact O-CB 3.24Å; Y72-S76 WeakPolarHBondContact O-CB 3.23Å; Y72-S76 PolarHBondContact O-N 3.44Å; Y72-S76 PolarHBondContact O-OG 3.28Å; Y72-I81 HydrophobicContact CD2-CB 4.18Å; Y72-I81 HydrophobicContact CD2-CD1 3.77Å; Y72-I81 HydrophobicContact CD2-CG2 4.2Å; Y72-I81 HydrophobicContact CE2-CB 3.82Å; Y72-I81 HydrophobicContact CE2-CD1 4.12Å; Y72-I81 HydrophobicContact CE2-CG1 4.48Å; Y72-I81 HydrophobicContact CE2-CG2 4.16Å; Y72-I81 HydrophobicContact CG-CD1 4.16Å
73N97.9Very high97.8Very high99 Ų9970.7 Ų70.753%0.52932%0.32SS..Hα-helixtrans-62.5-44.7177.8-70-18.5000112.1K69 E70 L71K69-N73 WeakPolarHBondContact O-CB 3.45Å; K69-N73 PolarHBondContact O-N 3.24Å; K69-N73 PolarHBondContact O-ND2 3.45Å; E70-N73 PolarHBondContact O-N 3.43Å; L71-N73 VanDerWaalsContact C-N 3.34Å; L71-N73 PolarHBondContact O-N 3.45Å
74A98Very high97.8Very high7 Ų771.6 Ų71.66%0.05833%0.325CS..Hα-helixtrans-62.4-45179.700000111.8E70 L71 R77 L119 L121E70-A74 VanDerWaalsContact O-CB 3.24Å; E70-A74 WeakPolarHBondContact O-CB 3.18Å; E70-A74 PolarHBondContact O-N 2.84Å; L71-A74 PolarHBondContact O-N 3.02Å; A74-R77 WeakPolarHBondContact O-CD 3.23Å; A74-R77 WeakPolarHBondContact O-CG 3.31Å; A74-R77 PolarHBondContact O-NE 2.85Å; A74-L119 HydrophobicContact CB-CD2 4.17Å; A74-L121 HydrophobicContact CB-CD1 4.2Å; A74-L121 HydrophobicContact CB-CD2 4.46Å
75F98.3Very high97.8Very high0 Ų071.1 Ų71.10%032%0.323CS..Hα-helixtrans-88.6-17.5-173.6-79.1-96.1000114.6V57 V59 L71 Y72 R77 Y78 I81 V101 F103 A112 I126 V128V57-F75 HydrophobicContact CG2-CE1 4.27Å; V59-F75 HydrophobicContact CB-CZ 4.17Å; V59-F75 HydrophobicContact CG1-CE2 3.98Å; V59-F75 HydrophobicContact CG1-CZ 3.71Å; V59-F75 HydrophobicContact CG2-CE1 3.75Å; V59-F75 HydrophobicContact CG2-CE2 3.91Å; V59-F75 HydrophobicContact CG2-CZ 3.32Å; L71-F75 HydrophobicContact CD2-CE2 4.25Å; L71-F75 WeakPolarHBondContact O-CB 3.25Å; L71-F75 WeakPolarHBondContact O-CD2 3.38Å; L71-F75 PolarHBondContact O-N 3.07Å; Y72-F75 PolarHBondContact O-N 2.82Å; F75-R77 PolarHBondContact O-N 2.88Å; F75-R77 VanDerWaalsContact O-N 3.13Å; F75-Y78 HydrophobicContact CB-CD2 4.37Å; F75-Y78 AromaticContact CD1-CD2 3.92Å; F75-Y78 HydrophobicContact CD1-CD2 3.92Å; F75-Y78 HydrophobicContact CD1-CE2 4.06Å; F75-Y78 HydrophobicContact CE1-CE2 4.42Å; F75-Y78 HydrophobicContact CG-CD2 4.4Å; F75-Y78 HydrophobicContact CG-CE2 4.48Å; F75-Y78 WeakPolarHBondContact O-CD2 3.38Å; F75-Y78 PolarHBondContact O-N 3.2Å; F75-I81 HydrophobicContact CB-CD1 3.84Å; F75-V101 HydrophobicContact CB-CG1 4.19Å; F75-V101 HydrophobicContact CD1-CG2 4.45Å; F75-V101 HydrophobicContact CD2-CG2 4.46Å; F75-V101 HydrophobicContact CG-CG1 4.44Å; F75-V101 HydrophobicContact CG-CG2 4.29Å; F75-F103 HydrophobicContact CB-CZ 4.25Å; F75-F103 HydrophobicContact CD1-CZ 4.17Å; F75-A112 HydrophobicContact CD1-CB 4.36Å; F75-I126 HydrophobicContact CE2-CD1 3.93Å; F75-I126 HydrophobicContact CZ-CD1 3.89Å; F75-V128 HydrophobicContact CE1-CG2 3.84Å; F75-V128 HydrophobicContact CZ-CG2 3.77Å
76S98.1Very high97.9Very high44 Ų4463.9 Ų63.931%0.30829%0.29SS..Hα-helixtrans-60.2-24.2177.5-71.60000113.2Y72 Y78 G79Y72-S76 WeakPolarHBondContact CD1-OG 3.33Å; Y72-S76 VanDerWaalsContact CE1-OG 3.31Å; Y72-S76 WeakPolarHBondContact CE1-OG 3.38Å; Y72-S76 VanDerWaalsContact O-CB 3.24Å; Y72-S76 WeakPolarHBondContact O-CB 3.23Å; Y72-S76 PolarHBondContact O-N 3.44Å; Y72-S76 PolarHBondContact O-OG 3.28Å; S76-Y78 PolarHBondContact O-N 3.43Å; S76-G79 PolarHBondContact O-N 3.36Å
77R97.5Very high97.8Very high160 Ų16064.4 Ų64.460%0.60429%0.293SS*.THydrogen-bonded Turntrans-62.2-21.9175.174.6-177.963.6-160.3-4.8114.1A74 F75A74-R77 WeakPolarHBondContact O-CD 3.23Å; A74-R77 WeakPolarHBondContact O-CG 3.31Å; A74-R77 PolarHBondContact O-NE 2.85Å; F75-R77 PolarHBondContact O-N 2.88Å; F75-R77 VanDerWaalsContact O-N 3.13Å
78Y97.6Very high97.8Very high12 Ų1266.6 Ų66.65%0.04730%0.296CS..THydrogen-bonded Turntrans-90.4-19.5-179.4-53.7-63.3000112.6F75 S76 Y108 K111 A112 E115 G116F75-Y78 HydrophobicContact CB-CD2 4.37Å; F75-Y78 AromaticContact CD1-CD2 3.92Å; F75-Y78 HydrophobicContact CD1-CD2 3.92Å; F75-Y78 HydrophobicContact CD1-CE2 4.06Å; F75-Y78 HydrophobicContact CE1-CE2 4.42Å; F75-Y78 HydrophobicContact CG-CD2 4.4Å; F75-Y78 HydrophobicContact CG-CE2 4.48Å; F75-Y78 WeakPolarHBondContact O-CD2 3.38Å; F75-Y78 PolarHBondContact O-N 3.2Å; S76-Y78 PolarHBondContact O-N 3.43Å; Y78-Y108 VanDerWaalsContact O-CD1 3.23Å; Y78-Y108 WeakPolarHBondContact O-CD1 3.43Å; Y78-K111 HydrophobicContact CD1-CG 4.36Å; Y78-A112 HydrophobicContact CD2-CB 3.76Å; Y78-A112 HydrophobicContact CG-CB 3.76Å; Y78-E115 HydrophobicContact CD1-CB 4.16Å; Y78-E115 HydrophobicContact CE1-CB 3.6Å; Y78-G116 VanDerWaalsContact OH-CA 3.25Å; Y78-G116 WeakPolarHBondContact OH-CA 3.07Å
79G97.9Very high97.7Very high13 Ų1365.6 Ų65.613%0.13429%0.294CS..SBendtrans150.6-176.3177.300000113S76 I81S76-G79 PolarHBondContact O-N 3.36Å; G79-I81 PolarHBondContact O-N 3.34Å
80H98.2Very high97.4Very high129 Ų12968.3 Ų68.360%0.59731%0.306SS*.  trans-70.7119.9-176.1-57.4-76.6000111.7F103 T104 Y108H80-F103 WeakPolarHBondContact O-CA 3.24Å; H80-T104 HydrophobicContact CB-CG2 3.93Å; H80-T104 PolarHBondContact O-N 3.13Å; H80-T104 PolarHBondContact O-OG1 3.17Å; H80-Y108 HydrophobicContact CB-CE2 4.47Å; H80-Y108 AromaticContact CD2-CE2 3.9Å
81I98.4Very high97.3Very high19 Ų1971.4 Ų71.410%0.09733%0.329CS..EExtended strand (participates in β ladder)trans-80128.3175.8-60.8172.5000108.7Y72 F75 G79 L84 V101 F103Y72-I81 HydrophobicContact CD2-CB 4.18Å; Y72-I81 HydrophobicContact CD2-CD1 3.77Å; Y72-I81 HydrophobicContact CD2-CG2 4.2Å; Y72-I81 HydrophobicContact CE2-CB 3.82Å; Y72-I81 HydrophobicContact CE2-CD1 4.12Å; Y72-I81 HydrophobicContact CE2-CG1 4.48Å; Y72-I81 HydrophobicContact CE2-CG2 4.16Å; Y72-I81 HydrophobicContact CG-CD1 4.16Å; F75-I81 HydrophobicContact CB-CD1 3.84Å; G79-I81 PolarHBondContact O-N 3.34Å; I81-L84 HydrophobicContact CG2-CB 4.3Å; I81-V101 HydrophobicContact CD1-CG1 4.07Å; I81-V101 HydrophobicContact CG1-CG1 4Å; I81-V101 HydrophobicContact CG2-CG1 4.04Å; I81-F103 HydrophobicContact CG1-CD1 4.24Å; I81-F103 HydrophobicContact CG1-CE1 3.91Å
82K97.9Very high97.2Very high118 Ų11875.3 Ų75.351%0.51335%0.352SS..EExtended strand (participates in β ladder)trans-91.2-43.1175.8-178.5175.9175.7-173.60111.7E102 T104K82-E102 WeakPolarHBondContact CA-O 3.31Å; K82-E102 HydrophobicContact CB-CG 4.35Å; K82-E102 HydrophobicContact CD-CG 4.47Å; K82-E102 WeakPolarHBondContact CD-OE1 3.45Å; K82-E102 PolarHBondContact N-O 2.76Å; K82-E102 IonicContact NZ-OE1 3.32Å; K82-T104 HydrophobicContact CB-CG2 4.03Å
83R97.2Very high97Very high101 Ų10171.9 Ų71.938%0.38135%0.351SS..EExtended strand (participates in β ladder)trans-147.7147.6176.4-74.3-171.2-71.1-93.54.1110.3K50 E102K50-R83 PolarHBondContact O-NH2 3.42Å; R83-E102 HydrophobicContact CB-CB 4.2Å; R83-E102 IonicContact CZ-OE1 3.24Å; R83-E102 IonicContact CZ-OE2 3.52Å; R83-E102 PolarHBondContact N-O 3.35Å; R83-E102 VanDerWaalsContact N-O 3.13Å; R83-E102 IonicContact NE-OE2 2.78Å; R83-E102 PolarHBondContact NE-OE2 3.48Å; R83-E102 IonicContact NH2-OE1 2.89Å; R83-E102 PolarHBondContact NH2-OE1 3.36Å; R83-E102 IonicContact NH2-OE2 2.83Å; R83-E102 PolarHBondContact NH2-OE2 3.29Å; R83-E102 PolarHBondContact O-N 3.27Å
84L97.8Very high96.9Very high42 Ų4270.5 Ų70.522%0.2234%0.343CS..EExtended strand (participates in β ladder)trans-133.7132174.4-171.4151000108.4E68 L71 I81 F100 V101E68-L84 HydrophobicContact CB-CD2 3.82Å; E68-L84 HydrophobicContact CG-CD2 3.78Å; L71-L84 HydrophobicContact CB-CD1 3.7Å; L71-L84 HydrophobicContact CB-CD2 4.34Å; L71-L84 HydrophobicContact CD1-CD2 4.24Å; I81-L84 HydrophobicContact CG2-CB 4.3Å; L84-F100 WeakPolarHBondContact CA-O 3.48Å; L84-V101 HydrophobicContact CD1-CG2 4.24Å; L84-V101 HydrophobicContact CG-CG2 4.29Å
85R96.7Very high96.9Very high129 Ų12970.6 Ų70.649%0.48734%0.344SS..EExtended strand (participates in β ladder)trans-132.9106.2176.4-178.3-177.1175.3-162.8-1.8109.7A99 F100R85-A99 CarbonylContact O-C 3.58Å; R85-A99 WeakPolarHBondContact O-CA 3.42Å; R85-A99 WeakPolarHBondContact O-CB 3.33Å; R85-F100 PolarHBondContact N-O 3.24Å; R85-F100 PolarHBondContact O-N 2.89Å
86L97.9Very high96.8Very high10 Ų1075.1 Ų75.15%0.05237%0.366CS..EExtended strand (participates in β ladder)trans-77.7126.4164177.358.5000108.6L62 T66 E68 L71 A99L62-L86 HydrophobicContact CD1-CD1 3.72Å; T66-L86 WeakPolarHBondContact O-CD2 3.46Å; E68-L86 HydrophobicContact CG-CB 3.81Å; E68-L86 HydrophobicContact CG-CD2 4.5Å; E68-L86 WeakPolarHBondContact OE1-CB 3.5Å; L71-L86 HydrophobicContact CD1-CB 4.3Å; L71-L86 HydrophobicContact CD1-CD1 4.12Å; L86-A99 HydrophobicContact CD1-CB 4.2Å
87V96.4Very high96.7Very high13 Ų1377.3 Ų77.38%0.07937%0.368CS..EExtended strand (participates in β ladder)trans-87.1129.4-178.4-175.60000110.1M96 Y98 F100V87-M96 HydrophobicContact CG1-CB 4.38Å; V87-M96 HydrophobicContact CG1-CG 4.33Å; V87-M96 WeakPolarHBondContact O-CB 3.48Å; V87-M96 PolarHBondContact O-N 3.27Å; V87-Y98 HydrophobicContact CB-CD1 4.49Å; V87-Y98 HydrophobicContact CB-CD2 4.06Å; V87-Y98 HydrophobicContact CB-CE1 4.05Å; V87-Y98 HydrophobicContact CB-CE2 3.61Å; V87-Y98 HydrophobicContact CB-CG 4.49Å; V87-Y98 HydrophobicContact CG1-CE1 4.1Å; V87-Y98 HydrophobicContact CG1-CE2 4.02Å; V87-Y98 WeakPolarHBondContact CG1-OH 2.94Å; V87-Y98 HydrophobicContact CG2-CD2 3.86Å; V87-Y98 HydrophobicContact CG2-CE2 3.38Å; V87-Y98 PolarHBondContact N-O 3.44Å; V87-F100 HydrophobicContact CG2-CD2 3.93Å; V87-F100 HydrophobicContact CG2-CE2 3.79Å
88R96.9Very high96.7Very high107 Ų10772.7 Ų72.740%0.40435%0.351SS..EExtended strand (participates in β ladder)trans-119.6151.1178.9-63171.6-175.3-87.52.1109.5E68 L94E68-R88 IonicContact OE1-CZ 2.65Å; E68-R88 IonicContact OE1-NE 3.73Å; E68-R88 PolarHBondContact OE1-NE 3.32Å; E68-R88 IonicContact OE1-NH2 2.67Å; E68-R88 PolarHBondContact OE1-NH2 3.36Å; E68-R88 IonicContact OE2-NH2 3.39Å; E68-R88 PolarHBondContact OE2-NH2 2.97Å; R88-L94 CarbonylContact C-O 3.59Å; R88-L94 WeakPolarHBondContact CA-O 2.96Å
89D95.4Very high96.8Very high53 Ų5372.1 Ų72.128%0.28335%0.348SS..  trans-64.8135.2170.7178.1-105.7000109.3V91 T92 G93 L94 M96D89-V91 VanDerWaalsContact C-N 3.32Å; D89-V91 PolarHBondContact O-N 2.83Å; D89-V91 PolarHBondContact OD1-N 2.95Å; D89-V91 VanDerWaalsContact OD1-N 3.12Å; D89-T92 WeakPolarHBondContact CB-OG1 3.37Å; D89-T92 WeakPolarHBondContact OD1-CB 3.32Å; D89-T92 PolarHBondContact OD1-N 3.18Å; D89-T92 PolarHBondContact OD1-OG1 3.03Å; D89-G93 VanDerWaalsContact O-CA 3.26Å; D89-G93 WeakPolarHBondContact O-CA 3.37Å; D89-G93 PolarHBondContact O-N 3.25Å; D89-L94 PolarHBondContact N-O 2.85Å; D89-M96 HydrophobicContact CB-CG 4.34Å; D89-M96 HydrophobicContact CB-SD 3.78Å
90F92.8Very high96.8Very high204 Ų20473 Ų7390%0.89535%0.349SS*.THydrogen-bonded Turntrans-69.6-31.5-173.3177.2-99.1000112.6
91V95.6Very high96.8Very high128 Ų12866.9 Ų66.978%0.77632%0.32SS*.THydrogen-bonded Turntrans-84.6-47.4-175.2-178.10000110.5D89D89-V91 VanDerWaalsContact C-N 3.32Å; D89-V91 PolarHBondContact O-N 2.83Å; D89-V91 PolarHBondContact OD1-N 2.95Å; D89-V91 VanDerWaalsContact OD1-N 3.12Å
92T96.1Very high96.8Very high81 Ų8166.4 Ų66.450%0.49732%0.318SS..THydrogen-bonded Turntrans-95.1-15.3-172.461.90000114D89 L94D89-T92 WeakPolarHBondContact CB-OG1 3.37Å; D89-T92 WeakPolarHBondContact OD1-CB 3.32Å; D89-T92 PolarHBondContact OD1-N 3.18Å; D89-T92 PolarHBondContact OD1-OG1 3.03Å; T92-L94 HydrophobicContact CG2-CD1 4.33Å; T92-L94 PolarHBondContact O-N 2.76Å; T92-L94 VanDerWaalsContact O-N 3.15Å; T92-L94 WeakPolarHBondContact OG1-CD1 3.19Å; T92-L94 WeakPolarHBondContact OG1-CG 3.39Å; T92-L94 PolarHBondContact OG1-N 2.87Å
93G95.3Very high96.8Very high40 Ų4060.9 Ų60.941%0.41229%0.293SS..  trans70.30.9-174.300000114.6D89D89-G93 VanDerWaalsContact O-CA 3.26Å; D89-G93 WeakPolarHBondContact O-CA 3.37Å; D89-G93 PolarHBondContact O-N 3.25Å
94L96Very high96.8Very high70 Ų7059.7 Ų59.737%0.36630%0.298SS..  trans-74.3143.9-176.2-62.4169.9000111.3R88 D89 T92 M96R88-L94 CarbonylContact C-O 3.59Å; R88-L94 WeakPolarHBondContact CA-O 2.96Å; D89-L94 PolarHBondContact N-O 2.85Å; T92-L94 HydrophobicContact CG2-CD1 4.33Å; T92-L94 PolarHBondContact O-N 2.76Å; T92-L94 VanDerWaalsContact O-N 3.15Å; T92-L94 WeakPolarHBondContact OG1-CD1 3.19Å; T92-L94 WeakPolarHBondContact OG1-CG 3.39Å; T92-L94 PolarHBondContact OG1-N 2.87Å; L94-M96 PolarHBondContact O-N 3.34Å
95S96.9Very high96.7Very high9 Ų959.9 Ų59.96%0.06330%0.303CS..EExtended strand (participates in β ladder)trans-57.9128.41751770000111.3R64 R97R64-S95 VanDerWaalsContact O-CB 3.29Å; R64-S95 WeakPolarHBondContact O-CB 3.47Å; S95-R97 PolarHBondContact O-N 2.95Å; S95-R97 PolarHBondContact OG-N 2.89Å; S95-R97 VanDerWaalsContact OG-N 3.09Å
96M96.1Very high96.7Very high95 Ų9556.7 Ų56.747%0.46829%0.29SS..EExtended strand (participates in β ladder)trans-80.75.1171.2-65.4-63.7-70.900112.3V87 D89 L94 Y98V87-M96 HydrophobicContact CG1-CB 4.38Å; V87-M96 HydrophobicContact CG1-CG 4.33Å; V87-M96 WeakPolarHBondContact O-CB 3.48Å; V87-M96 PolarHBondContact O-N 3.27Å; D89-M96 HydrophobicContact CB-CG 4.34Å; D89-M96 HydrophobicContact CB-SD 3.78Å; L94-M96 PolarHBondContact O-N 3.34Å; M96-Y98 VanDerWaalsContact C-N 3.29Å; M96-Y98 HydrophobicContact CB-CD1 3.77Å; M96-Y98 HydrophobicContact CB-CE1 3.45Å; M96-Y98 VanDerWaalsContact CB-CE1 3.45Å; M96-Y98 HydrophobicContact CG-CE1 4.39Å; M96-Y98 WeakPolarHBondContact O-CD1 3.18Å; M96-Y98 PolarHBondContact O-N 3.21Å
97R96.9Very high96.6Very high91 Ų9165.7 Ų65.734%0.34332%0.324SS..EExtended strand (participates in β ladder)trans6726.4174-53.5173.566.4158.42.2114.3N61 L62 R64 S95N61-R97 PolarHBondContact N-O 2.78Å; L62-R97 HydrophobicContact CB-CB 4.44Å; L62-R97 PolarHBondContact N-O 3.42Å; L62-R97 WeakPolarHBondContact O-CB 3.37Å; L62-R97 PolarHBondContact O-NE 2.95Å; L62-R97 PolarHBondContact O-NH2 2.58Å; R64-R97 HydrophobicContact CB-CG 4.43Å; S95-R97 PolarHBondContact O-N 2.95Å; S95-R97 PolarHBondContact OG-N 2.89Å; S95-R97 VanDerWaalsContact OG-N 3.09Å
98Y97.3Very high96.7Very high63 Ų6368.6 Ų68.625%0.24733%0.334CS..EExtended strand (participates in β ladder)trans-145.7154.716970.6-86000112F58 V59 V87 M96 F100F58-Y98 HydrophobicContact CD2-CD2 4.29Å; F58-Y98 AromaticContact CE2-CD2 3.5Å; F58-Y98 HydrophobicContact CE2-CD2 3.5Å; F58-Y98 VanDerWaalsContact CE2-CD2 3.5Å; F58-Y98 HydrophobicContact CE2-CE2 4.29Å; F58-Y98 AromaticContact CE2-CG 3.85Å; F58-Y98 HydrophobicContact CE2-CG 3.85Å; F58-Y98 HydrophobicContact CZ-CD2 4.22Å; F58-Y98 HydrophobicContact CZ-CG 4.1Å; V59-Y98 CarbonylContact O-C 3.42Å; V59-Y98 WeakPolarHBondContact O-CA 3.45Å; V59-Y98 VanDerWaalsContact O-CB 3.23Å; V59-Y98 WeakPolarHBondContact O-CB 3.36Å; V87-Y98 HydrophobicContact CB-CD1 4.49Å; V87-Y98 HydrophobicContact CB-CD2 4.06Å; V87-Y98 HydrophobicContact CB-CE1 4.05Å; V87-Y98 HydrophobicContact CB-CE2 3.61Å; V87-Y98 HydrophobicContact CB-CG 4.49Å; V87-Y98 HydrophobicContact CG1-CE1 4.1Å; V87-Y98 HydrophobicContact CG1-CE2 4.02Å; V87-Y98 WeakPolarHBondContact CG1-OH 2.94Å; V87-Y98 HydrophobicContact CG2-CD2 3.86Å; V87-Y98 HydrophobicContact CG2-CE2 3.38Å; V87-Y98 PolarHBondContact N-O 3.44Å; M96-Y98 VanDerWaalsContact C-N 3.29Å; M96-Y98 HydrophobicContact CB-CD1 3.77Å; M96-Y98 HydrophobicContact CB-CE1 3.45Å; M96-Y98 VanDerWaalsContact CB-CE1 3.45Å; M96-Y98 HydrophobicContact CG-CE1 4.39Å; M96-Y98 WeakPolarHBondContact O-CD1 3.18Å; M96-Y98 PolarHBondContact O-N 3.21Å; Y98-F100 HydrophobicContact CD2-CE2 4.02Å; Y98-F100 HydrophobicContact CD2-CZ 4.28Å; Y98-F100 AromaticContact CE2-CE2 3.66Å; Y98-F100 HydrophobicContact CE2-CE2 3.66Å; Y98-F100 AromaticContact CE2-CZ 3.99Å; Y98-F100 HydrophobicContact CE2-CZ 3.99Å
99A98.2Very high96.7Very high0 Ų063.5 Ų63.50%031%0.314CS..EExtended strand (participates in β ladder)trans-139.3162.8-179.100000111.4V59 L62 L71 R85 L86V59-A99 PolarHBondContact N-O 2.65Å; V59-A99 PolarHBondContact O-N 3.34Å; L62-A99 HydrophobicContact CD1-CB 3.9Å; L71-A99 HydrophobicContact CD1-CB 3.76Å; R85-A99 CarbonylContact O-C 3.58Å; R85-A99 WeakPolarHBondContact O-CA 3.42Å; R85-A99 WeakPolarHBondContact O-CB 3.33Å; L86-A99 HydrophobicContact CD1-CB 4.2Å
100F98.1Very high96.7Very high32 Ų3262.5 Ų62.514%0.1431%0.309CS..EExtended strand (participates in β ladder)trans-117128.1169-60.4-83.3000109.1T56 V57 F58 L84 R85 V87 Y98 E131T56-F100 HydrophobicContact CG2-CB 4.03Å; T56-F100 HydrophobicContact CG2-CD1 4.42Å; V57-F100 WeakPolarHBondContact O-CA 3.38Å; F58-F100 HydrophobicContact CD2-CD1 4.34Å; F58-F100 AromaticContact CD2-CE1 3.74Å; F58-F100 HydrophobicContact CD2-CE1 3.74Å; F58-F100 HydrophobicContact CD2-CZ 4.13Å; L84-F100 WeakPolarHBondContact CA-O 3.48Å; R85-F100 PolarHBondContact N-O 3.24Å; R85-F100 PolarHBondContact O-N 2.89Å; V87-F100 HydrophobicContact CG2-CD2 3.93Å; V87-F100 HydrophobicContact CG2-CE2 3.79Å; Y98-F100 HydrophobicContact CD2-CE2 4.02Å; Y98-F100 HydrophobicContact CD2-CZ 4.28Å; Y98-F100 AromaticContact CE2-CE2 3.66Å; Y98-F100 HydrophobicContact CE2-CE2 3.66Å; Y98-F100 AromaticContact CE2-CZ 3.99Å; Y98-F100 HydrophobicContact CE2-CZ 3.99Å; F100-E131 HydrophobicContact CD1-CG 3.9Å; F100-E131 HydrophobicContact CE1-CG 3.82Å
101V98.2Very high96.9Very high0 Ų056.9 Ų56.90%029%0.285CS..EExtended strand (participates in β ladder)trans-118.8109.2178.7-174.40000108.2T56 V57 V59 F75 I81 L84 F103T56-V101 WeakPolarHBondContact CA-O 3.43Å; V57-V101 HydrophobicContact CG2-CB 3.88Å; V57-V101 PolarHBondContact N-O 3.47Å; V57-V101 PolarHBondContact O-N 3.14Å; V59-V101 HydrophobicContact CG2-CG2 3.97Å; F75-V101 HydrophobicContact CB-CG1 4.19Å; F75-V101 HydrophobicContact CD1-CG2 4.45Å; F75-V101 HydrophobicContact CD2-CG2 4.46Å; F75-V101 HydrophobicContact CG-CG1 4.44Å; F75-V101 HydrophobicContact CG-CG2 4.29Å; I81-V101 HydrophobicContact CD1-CG1 4.07Å; I81-V101 HydrophobicContact CG1-CG1 4Å; I81-V101 HydrophobicContact CG2-CG1 4.04Å; L84-V101 HydrophobicContact CD1-CG2 4.24Å; L84-V101 HydrophobicContact CG-CG2 4.29Å; V101-F103 HydrophobicContact CB-CE2 4.42Å; V101-F103 HydrophobicContact CG1-CD2 4.43Å; V101-F103 HydrophobicContact CG1-CE2 3.87Å; V101-F103 HydrophobicContact CG1-CZ 3.94Å
102E98.2Very high97Very high9 Ų950.8 Ų50.84%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-93.8123.9174.8-177.5-178168.500109.4G51 C55 T56 K82 R83G51-E102 WeakPolarHBondContact CA-OE1 3.36Å; C55-E102 HydrophobicContact CB-CG 4.34Å; C55-E102 CarbonylContact O-C 3.52Å; C55-E102 WeakPolarHBondContact O-CA 3.49Å; T56-E102 HydrophobicContact CG2-CB 4.43Å; K82-E102 WeakPolarHBondContact CA-O 3.31Å; K82-E102 HydrophobicContact CB-CG 4.35Å; K82-E102 HydrophobicContact CD-CG 4.47Å; K82-E102 WeakPolarHBondContact CD-OE1 3.45Å; K82-E102 PolarHBondContact N-O 2.76Å; K82-E102 IonicContact NZ-OE1 3.32Å; R83-E102 HydrophobicContact CB-CB 4.2Å; R83-E102 IonicContact CZ-OE1 3.24Å; R83-E102 IonicContact CZ-OE2 3.52Å; R83-E102 PolarHBondContact N-O 3.35Å; R83-E102 VanDerWaalsContact N-O 3.13Å; R83-E102 IonicContact NE-OE2 2.78Å; R83-E102 PolarHBondContact NE-OE2 3.48Å; R83-E102 IonicContact NH2-OE1 2.89Å; R83-E102 PolarHBondContact NH2-OE1 3.36Å; R83-E102 IonicContact NH2-OE2 2.83Å; R83-E102 PolarHBondContact NH2-OE2 3.29Å; R83-E102 PolarHBondContact O-N 3.27Å
103F98.5Very high96.9Very high1 Ų149.3 Ų49.30%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-90.9161.4173.4-67.6-87.9000111.3C55 V57 F75 H80 I81 V101 S105 A109 A112C55-F103 WeakPolarHBondContact CB-O 3.31Å; C55-F103 PolarHBondContact O-N 3.06Å; V57-F103 HydrophobicContact CG1-CE2 4.48Å; V57-F103 HydrophobicContact CG2-CE2 3.94Å; F75-F103 HydrophobicContact CB-CZ 4.25Å; F75-F103 HydrophobicContact CD1-CZ 4.17Å; H80-F103 WeakPolarHBondContact O-CA 3.24Å; I81-F103 HydrophobicContact CG1-CD1 4.24Å; I81-F103 HydrophobicContact CG1-CE1 3.91Å; V101-F103 HydrophobicContact CB-CE2 4.42Å; V101-F103 HydrophobicContact CG1-CD2 4.43Å; V101-F103 HydrophobicContact CG1-CE2 3.87Å; V101-F103 HydrophobicContact CG1-CZ 3.94Å; F103-S105 PolarHBondContact O-N 3.04Å; F103-A109 HydrophobicContact CB-CB 4.49Å; F103-A109 HydrophobicContact CD2-CB 3.99Å; F103-A112 HydrophobicContact CE2-CB 3.49Å; F103-A112 VanDerWaalsContact CE2-CB 3.49Å; F103-A112 HydrophobicContact CZ-CB 3.52Å
104T97.9Very high96.8Very high77 Ų7750.2 Ų50.247%0.47224%0.236SC..SBendtrans-67.4-20.3173.752.20000113.4H80 K82 Y108H80-T104 HydrophobicContact CB-CG2 3.93Å; H80-T104 PolarHBondContact O-N 3.13Å; H80-T104 PolarHBondContact O-OG1 3.17Å; K82-T104 HydrophobicContact CB-CG2 4.03Å; T104-Y108 WeakPolarHBondContact OG1-CD2 3.48Å; T104-Y108 WeakPolarHBondContact OG1-CE2 3.26Å
105S96.3Very high96.8Very high46 Ų4652.2 Ų52.232%0.32224%0.244SC..SBendtrans-143.7146.4-178.3177.70000112F103 R107 Y108 A109F103-S105 PolarHBondContact O-N 3.04Å; S105-R107 PolarHBondContact O-N 2.78Å; S105-R107 PolarHBondContact OG-N 2.81Å; S105-Y108 PolarHBondContact O-N 3.47Å; S105-Y108 VanDerWaalsContact O-N 3.12Å; S105-A109 PolarHBondContact O-N 3.16Å
106R95.7Very high96.8Very high61 Ų6151.8 Ų51.823%0.2324%0.241CC..Hα-helixtrans-54.2-33.5171.1-178.257.2160.6174.8-9.6112.6M9 K54 C55 Y108 A109 N110M9-R106 PolarHBondContact SD-NH1 3.12Å; M9-R106 PolarHBondContact SD-NH2 2.74Å; K54-R106 VanDerWaalsContact C-NH1 3.26Å; K54-R106 WeakPolarHBondContact O-CD 3.29Å; K54-R106 VanDerWaalsContact O-CZ 3.29Å; K54-R106 PolarHBondContact O-NE 3.43Å; K54-R106 PolarHBondContact O-NH1 3.44Å; C55-R106 PolarHBondContact SG-N 2.87Å; C55-R106 VanDerWaalsContact SG-N 3.4Å; R106-Y108 VanDerWaalsContact C-N 3.35Å; R106-Y108 PolarHBondContact O-N 2.94Å; R106-A109 PolarHBondContact O-N 3.3Å; R106-N110 PolarHBondContact NE-OD1 3.33Å; R106-N110 WeakPolarHBondContact O-CB 3.2Å; R106-N110 VanDerWaalsContact O-CG 3.3Å; R106-N110 PolarHBondContact O-N 2.85Å; R106-N110 PolarHBondContact O-OD1 3.49Å
107R96.6Very high96.7Very high200 Ų20048.7 Ų48.776%0.75523%0.225SC*.Hα-helixtrans-60.6-43.8178.2-178.8179.6173.8-178.4-1.9111.7S105 N110 K111S105-R107 PolarHBondContact O-N 2.78Å; S105-R107 PolarHBondContact OG-N 2.81Å; R107-N110 PolarHBondContact O-N 3.09Å; R107-K111 PolarHBondContact O-N 3.15Å
108Y97.7Very high96.6Very high73 Ų7348.3 Ų48.329%0.28623%0.227SC..Hα-helixtrans-70.8-39.7178.4-59-43.1000111.8Y78 H80 T104 S105 R106 N110 K111 A112Y78-Y108 VanDerWaalsContact O-CD1 3.23Å; Y78-Y108 WeakPolarHBondContact O-CD1 3.43Å; H80-Y108 HydrophobicContact CB-CE2 4.47Å; H80-Y108 AromaticContact CD2-CE2 3.9Å; T104-Y108 WeakPolarHBondContact OG1-CD2 3.48Å; T104-Y108 WeakPolarHBondContact OG1-CE2 3.26Å; S105-Y108 PolarHBondContact O-N 3.47Å; S105-Y108 VanDerWaalsContact O-N 3.12Å; R106-Y108 VanDerWaalsContact C-N 3.35Å; R106-Y108 PolarHBondContact O-N 2.94Å; Y108-N110 VanDerWaalsContact C-N 3.35Å; Y108-N110 PolarHBondContact O-N 3.35Å; Y108-K111 PolarHBondContact O-N 2.81Å; Y108-A112 WeakPolarHBondContact O-CB 3.34Å; Y108-A112 PolarHBondContact O-N 3.31Å
109A96.9Very high96.6Very high0 Ų047 Ų470%022%0.224CC..Hα-helixtrans-60.8-42.8173.500000112V57 F103 S105 R106 A112 Y113V57-A109 HydrophobicContact CG1-CB 4.25Å; V57-A109 WeakPolarHBondContact CG1-O 3.38Å; F103-A109 HydrophobicContact CB-CB 4.49Å; F103-A109 HydrophobicContact CD2-CB 3.99Å; S105-A109 PolarHBondContact O-N 3.16Å; R106-A109 PolarHBondContact O-N 3.3Å; A109-A112 PolarHBondContact O-N 3.38Å; A109-Y113 VanDerWaalsContact O-CB 3.28Å; A109-Y113 WeakPolarHBondContact O-CB 3.49Å; A109-Y113 PolarHBondContact O-N 3.48Å
110N95.1Very high96.5Very high33 Ų3352 Ų5218%0.17625%0.25CS..Hα-helixtrans-65.3-38.5175.3-71.9-4.1000112D7 R106 R107 Y108 Y113 A114D7-N110 PolarHBondContact O-ND2 3.04Å; R106-N110 PolarHBondContact NE-OD1 3.33Å; R106-N110 WeakPolarHBondContact O-CB 3.2Å; R106-N110 VanDerWaalsContact O-CG 3.3Å; R106-N110 PolarHBondContact O-N 2.85Å; R106-N110 PolarHBondContact O-OD1 3.49Å; R107-N110 PolarHBondContact O-N 3.09Å; Y108-N110 VanDerWaalsContact C-N 3.35Å; Y108-N110 PolarHBondContact O-N 3.35Å; N110-Y113 PolarHBondContact O-N 2.98Å; N110-A114 WeakPolarHBondContact O-CB 3.43Å; N110-A114 PolarHBondContact O-N 3.04Å
111K96.8Very high96.5Very high86 Ų8651.4 Ų51.437%0.37425%0.248SC..Hα-helixtrans-63.5-49.1174.7-168-177.4179-171.20111.5Y78 R107 Y108 Y113 A114 E115Y78-K111 HydrophobicContact CD1-CG 4.36Å; R107-K111 PolarHBondContact O-N 3.15Å; Y108-K111 PolarHBondContact O-N 2.81Å; K111-Y113 VanDerWaalsContact C-N 3.31Å; K111-Y113 PolarHBondContact O-N 3.19Å; K111-A114 PolarHBondContact O-N 3.17Å; K111-E115 VanDerWaalsContact CE-CD 3.49Å; K111-E115 WeakPolarHBondContact CE-OE1 3.46Å; K111-E115 WeakPolarHBondContact CE-OE2 3.4Å; K111-E115 HydrophobicContact CG-CG 4.46Å; K111-E115 WeakPolarHBondContact CG-OE1 3.44Å; K111-E115 WeakPolarHBondContact O-CB 3.42Å; K111-E115 PolarHBondContact O-N 3.32Å
112A97.3Very high96.5Very high0 Ų054.3 Ų54.30%026%0.264CS..Hα-helixtrans-61.1-40.117600000111.9V57 F75 Y78 F103 Y108 A109 G116V57-A112 HydrophobicContact CG1-CB 4.4Å; F75-A112 HydrophobicContact CD1-CB 4.36Å; Y78-A112 HydrophobicContact CD2-CB 3.76Å; Y78-A112 HydrophobicContact CG-CB 3.76Å; F103-A112 HydrophobicContact CE2-CB 3.49Å; F103-A112 VanDerWaalsContact CE2-CB 3.49Å; F103-A112 HydrophobicContact CZ-CB 3.52Å; Y108-A112 WeakPolarHBondContact O-CB 3.34Å; Y108-A112 PolarHBondContact O-N 3.31Å; A109-A112 PolarHBondContact O-N 3.38Å; A112-G116 VanDerWaalsContact O-CA 3.24Å; A112-G116 WeakPolarHBondContact O-CA 3.35Å; A112-G116 PolarHBondContact O-N 3.06Å
113Y95.2Very high96.4Very high50 Ų5057.1 Ų57.120%0.19630%0.296CS..Hα-helixtrans-59.1-56.5171.4177.8-96.1000109.7M9 A109 N110 K111 E115 Q130 R162M9-Y113 HydrophobicContact CE-CD1 4.43Å; M9-Y113 HydrophobicContact CE-CD2 3.77Å; M9-Y113 HydrophobicContact CE-CE2 4.32Å; M9-Y113 HydrophobicContact CE-CG 3.83Å; A109-Y113 VanDerWaalsContact O-CB 3.28Å; A109-Y113 WeakPolarHBondContact O-CB 3.49Å; A109-Y113 PolarHBondContact O-N 3.48Å; N110-Y113 PolarHBondContact O-N 2.98Å; K111-Y113 VanDerWaalsContact C-N 3.31Å; K111-Y113 PolarHBondContact O-N 3.19Å; Y113-E115 PolarHBondContact O-N 3.16Å; Y113-Q130 HydrophobicContact CD2-CG 4.35Å; Y113-Q130 HydrophobicContact CE2-CG 3.87Å; Y113-R162 PolarHBondContact O-NH1 3.03Å
114A93.7Very high96.4Very high58 Ų5861.4 Ų61.448%0.47931%0.312SS..Hα-helixtrans-58.6-49.7-176.500000113.2N110 K111 R162N110-A114 WeakPolarHBondContact O-CB 3.43Å; N110-A114 PolarHBondContact O-N 3.04Å; K111-A114 PolarHBondContact O-N 3.17Å; A114-R162 PolarHBondContact O-NH2 3.5Å; A114-R162 VanDerWaalsContact O-NH2 3.14Å
115E95.7Very high96.3Very high113 Ų11362.2 Ų62.253%0.52831%0.311SS..Hα-helixtrans-100.6-19.5-167-62.9173.9-159.600114.8Y78 K111 Y113Y78-E115 HydrophobicContact CD1-CB 4.16Å; Y78-E115 HydrophobicContact CE1-CB 3.6Å; K111-E115 VanDerWaalsContact CE-CD 3.49Å; K111-E115 WeakPolarHBondContact CE-OE1 3.46Å; K111-E115 WeakPolarHBondContact CE-OE2 3.4Å; K111-E115 HydrophobicContact CG-CG 4.46Å; K111-E115 WeakPolarHBondContact CG-OE1 3.44Å; K111-E115 WeakPolarHBondContact O-CB 3.42Å; K111-E115 PolarHBondContact O-N 3.32Å; Y113-E115 PolarHBondContact O-N 3.16Å
116G95.9Very high96.3Very high0 Ų060.1 Ų60.10%030%0.296CS..Hα-helixtrans-86.5-11.3-175.400000115Y78 A112 L119 V128Y78-G116 VanDerWaalsContact OH-CA 3.25Å; Y78-G116 WeakPolarHBondContact OH-CA 3.07Å; A112-G116 VanDerWaalsContact O-CA 3.24Å; A112-G116 WeakPolarHBondContact O-CA 3.35Å; A112-G116 PolarHBondContact O-N 3.06Å; G116-L119 WeakPolarHBondContact O-CB 3.43Å; G116-L119 PolarHBondContact O-N 3.02Å; G116-V128 VanDerWaalsContact C-CG2 3.49Å; G116-V128 WeakPolarHBondContact O-CG2 3.08Å
117H94.3Very high96.3Very high29 Ų2960.2 Ų60.213%0.13430%0.298CS..THydrogen-bonded Turntrans-67.3134.2176.8-173.478.9000110.9L119 R162 E163H117-L119 VanDerWaalsContact C-N 3.25Å; H117-L119 PolarHBondContact O-N 3.49Å; H117-R162 VanDerWaalsContact CB-NH1 3.3Å; H117-R162 PolarHBondContact CD2-NE 2.86Å; H117-R162 VanDerWaalsContact CD2-NE 3.27Å; H117-R162 VanDerWaalsContact CG-CZ 3.41Å; H117-R162 VanDerWaalsContact CG-NE 3.34Å; H117-R162 WeakPolarHBondContact ND1-CD 3.39Å; H117-R162 PolarHBondContact NE2-NE 3.43Å; H117-E163 IonicContact CE1-OE1 2.85Å; H117-E163 PolarHBondContact CE1-OE1 3.35Å; H117-E163 IonicContact ND1-OE1 3.97Å; H117-E163 IonicContact NE2-OE1 3.14Å; H117-E163 PolarHBondContact NE2-OE1 3.37Å; H117-E163 VanDerWaalsContact NE2-OE1 3.14Å
118H95.3Very high96.2Very high83 Ų8350.7 Ų50.738%0.38426%0.262SS..THydrogen-bonded Turntrans68.715.8-176.2-56.7171.3000115.4I120 Q125 I126 E163H118-I120 PolarHBondContact O-N 2.94Å; H118-Q125 HydrophobicContact CB-CG 3.93Å; H118-Q125 PolarHBondContact CD2-NE2 3.23Å; H118-Q125 PolarHBondContact ND1-NE2 2.91Å; H118-I126 WeakPolarHBondContact CA-O 3.34Å; H118-I126 PolarHBondContact N-O 2.9Å; H118-E163 IonicContact CD2-OE1 3.62Å; H118-E163 IonicContact CE1-OE1 3.87Å; H118-E163 IonicContact NE2-OE1 2.81Å; H118-E163 PolarHBondContact NE2-OE1 2.77Å
119L96.4Very high96Very high35 Ų3547.4 Ų47.418%0.18325%0.249CC..  trans-58.8135.3168.1177.866.7000110.3A74 G116 H117 I126A74-L119 HydrophobicContact CB-CD2 4.17Å; G116-L119 WeakPolarHBondContact O-CB 3.43Å; G116-L119 PolarHBondContact O-N 3.02Å; H117-L119 VanDerWaalsContact C-N 3.25Å; H117-L119 PolarHBondContact O-N 3.49Å; L119-I126 HydrophobicContact CB-CD1 3.9Å; L119-I126 HydrophobicContact CB-CG1 3.98Å; L119-I126 HydrophobicContact CD2-CD1 3.99Å; L119-I126 HydrophobicContact CG-CD1 4.27Å; L119-I126 WeakPolarHBondContact O-CG1 3.17Å; L119-I126 PolarHBondContact O-N 3.11Å
120I97.6Very high95.8Very high106 Ų10647.6 Ų47.654%0.54425%0.25SS..EExtended strand (participates in β ladder)trans-85.2119.9170.9-53.2-54.2000108.7H118 Y124 Q125H118-I120 PolarHBondContact O-N 2.94Å; I120-Y124 WeakPolarHBondContact CA-O 3.41Å; I120-Q125 HydrophobicContact CD1-CB 3.64Å; I120-Q125 HydrophobicContact CD1-CG 4.01Å
121L97.5Very high95.8Very high20 Ų2046.2 Ų46.211%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-131.1122.8175.3-174.463.9000109L62 T66 L71 A74 G123 Y124 I126L62-L121 HydrophobicContact CD2-CD2 4.35Å; T66-L121 HydrophobicContact CG2-CD2 3.79Å; T66-L121 HydrophobicContact CG2-CG 4.43Å; L71-L121 HydrophobicContact CD2-CD2 3.77Å; A74-L121 HydrophobicContact CB-CD1 4.2Å; A74-L121 HydrophobicContact CB-CD2 4.46Å; L121-G123 PolarHBondContact O-N 3.18Å; L121-Y124 PolarHBondContact N-O 2.9Å; L121-Y124 PolarHBondContact O-N 3.32Å; L121-I126 HydrophobicContact CB-CG2 3.95Å
122N97.1Very high95.6Very high60 Ų6042.8 Ų42.832%0.32123%0.228SC..THydrogen-bonded Turntrans49.540.7-177.6-59.3-2.9000113.6N63 T66 E70 Y124N63-N122 HydrophobicContact CB-CB 3.92Å; N63-N122 PolarHBondContact ND2-O 2.53Å; N63-N122 VanDerWaalsContact ND2-O 3.12Å; T66-N122 PolarHBondContact OG1-ND2 2.85Å; E70-N122 PolarHBondContact OE1-ND2 2.85Å; E70-N122 PolarHBondContact OE1-OD1 3.17Å; E70-N122 PolarHBondContact OE2-ND2 2.84Å; N122-Y124 VanDerWaalsContact C-N 3.3Å; N122-Y124 WeakPolarHBondContact O-CD2 3.45Å; N122-Y124 PolarHBondContact O-N 2.7Å
123G97.3Very high95.4Very high69 Ų6944.6 Ų44.671%0.71124%0.236SC*.THydrogen-bonded Turntrans80.8-0.9-179.500000115.4L121L121-G123 PolarHBondContact O-N 3.18Å
124Y97.5Very high95.3Very high90 Ų9045.2 Ų45.235%0.35324%0.238SC..EExtended strand (participates in β ladder)trans-108.6134.6179.5-74.4-102.4000111.3N63 I120 L121 N122 I126N63-Y124 HydrophobicContact CB-CD2 3.56Å; N63-Y124 HydrophobicContact CB-CE2 3.88Å; N63-Y124 HydrophobicContact CB-CG 4.25Å; N63-Y124 WeakPolarHBondContact ND2-CE2 3.37Å; I120-Y124 WeakPolarHBondContact CA-O 3.41Å; L121-Y124 PolarHBondContact N-O 2.9Å; L121-Y124 PolarHBondContact O-N 3.32Å; N122-Y124 VanDerWaalsContact C-N 3.3Å; N122-Y124 WeakPolarHBondContact O-CD2 3.45Å; N122-Y124 PolarHBondContact O-N 2.7Å; Y124-I126 PolarHBondContact O-N 3.25Å
125Q96.6Very high95.1Very high95 Ų9544.6 Ų44.644%0.44423%0.227SC..EExtended strand (participates in β ladder)trans-77.6103.9170-174.4175.3-22.900109.4N61 H118 I120N61-Q125 PolarHBondContact ND2-O 2.87Å; H118-Q125 HydrophobicContact CB-CG 3.93Å; H118-Q125 PolarHBondContact CD2-NE2 3.23Å; H118-Q125 PolarHBondContact ND1-NE2 2.91Å; I120-Q125 HydrophobicContact CD1-CB 3.64Å; I120-Q125 HydrophobicContact CD1-CG 4.01Å
126I96.4Very high94.8Very high1 Ų139.7 Ų39.71%0.00520%0.204CC..  trans-78.5158.2179.679.7-172.8000109.7V59 G60 L62 F75 H118 L119 L121 Y124V59-I126 HydrophobicContact CG1-CB 4.31Å; V59-I126 HydrophobicContact CG1-CD1 3.83Å; V59-I126 HydrophobicContact CG1-CG1 4.3Å; G60-I126 WeakPolarHBondContact O-CA 3.45Å; G60-I126 WeakPolarHBondContact O-CB 3.18Å; L62-I126 HydrophobicContact CD2-CB 4.42Å; L62-I126 HydrophobicContact CD2-CG2 3.79Å; F75-I126 HydrophobicContact CE2-CD1 3.93Å; F75-I126 HydrophobicContact CZ-CD1 3.89Å; H118-I126 WeakPolarHBondContact CA-O 3.34Å; H118-I126 PolarHBondContact N-O 2.9Å; L119-I126 HydrophobicContact CB-CD1 3.9Å; L119-I126 HydrophobicContact CB-CG1 3.98Å; L119-I126 HydrophobicContact CD2-CD1 3.99Å; L119-I126 HydrophobicContact CG-CD1 4.27Å; L119-I126 WeakPolarHBondContact O-CG1 3.17Å; L119-I126 PolarHBondContact O-N 3.11Å; L121-I126 HydrophobicContact CB-CG2 3.95Å; Y124-I126 PolarHBondContact O-N 3.25Å
127F94.6Very high94.5Very high63 Ų6345.9 Ų45.928%0.27623%0.233SC..EExtended strand (participates in β ladder)trans-120.2139.9167.869.2-88.2000110.2F58 V59 G60 N61F58-F127 AromaticContact CD1-CE2 3.88Å; F58-F127 HydrophobicContact CD1-CE2 3.88Å; F58-F127 HydrophobicContact CD1-CZ 4.48Å; F58-F127 HydrophobicContact CE1-CD2 4.38Å; F58-F127 AromaticContact CE1-CE2 3.42Å; F58-F127 HydrophobicContact CE1-CE2 3.42Å; F58-F127 VanDerWaalsContact CE1-CE2 3.42Å; F58-F127 AromaticContact CE1-CZ 3.6Å; F58-F127 HydrophobicContact CE1-CZ 3.6Å; F58-F127 HydrophobicContact CZ-CZ 4.42Å; V59-F127 WeakPolarHBondContact CA-O 3.41Å; G60-F127 PolarHBondContact N-O 3.44Å; G60-F127 PolarHBondContact O-N 2.88Å; G60-F127 VanDerWaalsContact O-N 3.11Å; N61-F127 HydrophobicContact CB-CD1 3.85Å; N61-F127 HydrophobicContact CB-CE1 3.95Å
128V95.6Very high94.4Very high0 Ų049.7 Ų49.70%025%0.254CS..EExtended strand (participates in β ladder)trans-109130.2176-176.60000109.1V57 F58 F75 G116V57-V128 HydrophobicContact CB-CG1 3.8Å; V57-V128 HydrophobicContact CG1-CG1 4.23Å; V57-V128 HydrophobicContact CG2-CG1 4.08Å; F58-V128 CarbonylContact O-C 3.52Å; F58-V128 VanDerWaalsContact O-CA 3.32Å; F58-V128 WeakPolarHBondContact O-CA 3.22Å; F75-V128 HydrophobicContact CE1-CG2 3.84Å; F75-V128 HydrophobicContact CZ-CG2 3.77Å; G116-V128 VanDerWaalsContact C-CG2 3.49Å; G116-V128 WeakPolarHBondContact O-CG2 3.08Å
129D94.3Very high94.3Very high4 Ų447.4 Ų47.42%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-138.2179.9177.4-144.3-29.8000111.5V57 F58 F132 C161 R162V57-D129 WeakPolarHBondContact CA-O 3.4Å; F58-D129 HydrophobicContact CD1-CB 4.43Å; F58-D129 PolarHBondContact N-O 2.92Å; F58-D129 PolarHBondContact O-N 3.37Å; D129-F132 HydrophobicContact CB-CE2 4.19Å; D129-F132 VanDerWaalsContact CG-CE2 3.42Å; D129-F132 WeakPolarHBondContact OD1-CE2 3.26Å; D129-F132 WeakPolarHBondContact OD1-CZ 3.49Å; D129-F132 WeakPolarHBondContact OD2-CE2 3.31Å; D129-C161 WeakPolarHBondContact OD2-CA 3.24Å; D129-C161 WeakPolarHBondContact OD2-CB 3.49Å; D129-R162 PolarHBondContact OD2-N 3.13Å
130Q92.2Very high94.3Very high4 Ų446 Ų462%0.01924%0.236CC..EExtended strand (participates in β ladder)trans-75.8158.1174.7-34.9-170.422.500111.3M9 Y113 F132 L135M9-Q130 HydrophobicContact CE-CB 3.99Å; M9-Q130 HydrophobicContact CE-CG 3.5Å; M9-Q130 HydrophobicContact SD-CB 4.01Å; M9-Q130 HydrophobicContact SD-CG 3.52Å; M9-Q130 VanDerWaalsContact SD-CG 3.52Å; M9-Q130 PolarHBondContact SD-OE1 2.93Å; Y113-Q130 HydrophobicContact CD2-CG 4.35Å; Y113-Q130 HydrophobicContact CE2-CG 3.87Å; Q130-F132 VanDerWaalsContact C-N 3.31Å; Q130-F132 HydrophobicContact CB-CD1 4.31Å; Q130-F132 HydrophobicContact CB-CE1 4Å; Q130-F132 HydrophobicContact CB-CZ 4.28Å; Q130-F132 HydrophobicContact CG-CE1 4.14Å; Q130-F132 HydrophobicContact CG-CZ 4.31Å; Q130-F132 PolarHBondContact O-N 3.42Å; Q130-L135 HydrophobicContact CB-CD1 3.76Å
131E93.8Very high94.1Very high5 Ų541.5 Ų41.52%0.02321%0.213CC..  trans-77.578.7171.2-166.7-164.1169.900111.9P53 T56 F100 E133 R134 L135P53-E131 VanDerWaalsContact CA-OE2 3.27Å; P53-E131 WeakPolarHBondContact CA-OE2 3.42Å; P53-E131 WeakPolarHBondContact CB-OE2 3.2Å; T56-E131 WeakPolarHBondContact CB-OE2 3.35Å; T56-E131 HydrophobicContact CG2-CB 4.27Å; T56-E131 HydrophobicContact CG2-CG 4.41Å; T56-E131 WeakPolarHBondContact CG2-OE2 3.2Å; F100-E131 HydrophobicContact CD1-CG 3.9Å; F100-E131 HydrophobicContact CE1-CG 3.82Å; E131-E133 PolarHBondContact O-N 3.07Å; E131-R134 VanDerWaalsContact CD-NE 3.34Å; E131-R134 VanDerWaalsContact CD-NH2 3.28Å; E131-R134 PolarHBondContact O-N 2.85Å; E131-R134 IonicContact OE1-CZ 3.58Å; E131-R134 VanDerWaalsContact OE1-CZ 3.28Å; E131-R134 IonicContact OE1-NE 3.4Å; E131-R134 PolarHBondContact OE1-NE 2.95Å; E131-R134 IonicContact OE1-NH2 2.62Å; E131-R134 PolarHBondContact OE1-NH2 3.37Å; E131-R134 VanDerWaalsContact OE1-NH2 3.12Å; E131-R134 IonicContact OE2-CZ 2.93Å; E131-R134 IonicContact OE2-NE 3.12Å; E131-R134 PolarHBondContact OE2-NE 3.43Å; E131-R134 IonicContact OE2-NH2 3.28Å; E131-R134 PolarHBondContact OE2-NH2 2.76Å; E131-L135 WeakPolarHBondContact O-CB 3.5Å; E131-L135 VanDerWaalsContact O-CG 3.3Å; E131-L135 WeakPolarHBondContact O-CG 3.21Å; E131-L135 PolarHBondContact O-N 3Å
132F92.4Very high93.9Very high14 Ų1444.8 Ų44.86%0.06122%0.224CC..Hα-helixtrans-60.6-28.1-174.6-64.2-58.9000114.7L12 D129 Q130 R134 L135 L136 W139 F148L12-F132 HydrophobicContact CD1-CD1 3.68Å; L12-F132 HydrophobicContact CD1-CE1 3.63Å; D129-F132 HydrophobicContact CB-CE2 4.19Å; D129-F132 VanDerWaalsContact CG-CE2 3.42Å; D129-F132 WeakPolarHBondContact OD1-CE2 3.26Å; D129-F132 WeakPolarHBondContact OD1-CZ 3.49Å; D129-F132 WeakPolarHBondContact OD2-CE2 3.31Å; Q130-F132 VanDerWaalsContact C-N 3.31Å; Q130-F132 HydrophobicContact CB-CD1 4.31Å; Q130-F132 HydrophobicContact CB-CE1 4Å; Q130-F132 HydrophobicContact CB-CZ 4.28Å; Q130-F132 HydrophobicContact CG-CE1 4.14Å; Q130-F132 HydrophobicContact CG-CZ 4.31Å; Q130-F132 PolarHBondContact O-N 3.42Å; F132-R134 VanDerWaalsContact C-N 3.27Å; F132-R134 PolarHBondContact O-N 3.14Å; F132-L135 PolarHBondContact O-N 3.26Å; F132-L136 HydrophobicContact CB-CB 4.29Å; F132-L136 HydrophobicContact CD1-CD2 4.45Å; F132-L136 WeakPolarHBondContact O-CB 3.2Å; F132-L136 PolarHBondContact O-N 2.8Å; F132-W139 HydrophobicContact CB-CD2 4.02Å; F132-W139 HydrophobicContact CB-CE3 3.91Å; F132-W139 HydrophobicContact CB-CH2 3.97Å; F132-W139 HydrophobicContact CB-CZ2 4.14Å; F132-W139 HydrophobicContact CB-CZ3 3.89Å; F132-W139 HydrophobicContact CD2-CH2 4.18Å; F132-W139 HydrophobicContact CD2-CZ3 4.45Å; F132-W139 HydrophobicContact CG-CH2 4.41Å; F132-W139 HydrophobicContact CG-CZ3 4.34Å; F132-F148 AromaticContact CD1-CE2 3.94Å; F132-F148 HydrophobicContact CD1-CE2 3.94Å; F132-F148 AromaticContact CD2-CD2 3.59Å; F132-F148 HydrophobicContact CD2-CD2 3.59Å; F132-F148 AromaticContact CD2-CE2 3.64Å; F132-F148 HydrophobicContact CD2-CE2 3.64Å; F132-F148 AromaticContact CE1-CE2 3.99Å; F132-F148 HydrophobicContact CE1-CE2 3.99Å; F132-F148 AromaticContact CE2-CD2 3.53Å; F132-F148 HydrophobicContact CE2-CD2 3.53Å; F132-F148 AromaticContact CE2-CE2 3.68Å; F132-F148 HydrophobicContact CE2-CE2 3.68Å; F132-F148 HydrophobicContact CG-CD2 4.19Å; F132-F148 AromaticContact CG-CE2 3.77Å; F132-F148 HydrophobicContact CG-CE2 3.77Å; F132-F148 HydrophobicContact CZ-CD2 4.09Å; F132-F148 AromaticContact CZ-CE2 3.86Å; F132-F148 HydrophobicContact CZ-CE2 3.86Å
133E93.4Very high93.6Very high38 Ų3850.2 Ų50.218%0.17824%0.24CC..Hα-helixtrans-56.1-41.1-176.5178.7171.4-173.800113.4Y43 P45 E131 W139Y43-E133 HydrophobicContact CE1-CG 4.04Å; Y43-E133 PolarHBondContact OH-OE1 2.81Å; P45-E133 WeakPolarHBondContact CA-OE1 3.33Å; P45-E133 HydrophobicContact CB-CG 3.85Å; P45-E133 HydrophobicContact CG-CG 4.05Å; P45-E133 WeakPolarHBondContact CG-O 3.44Å; E131-E133 PolarHBondContact O-N 3.07Å; E133-W139 VanDerWaalsContact CA-CD1 3.43Å
134R92.7Very high93.5Very high63 Ų6350 Ų5024%0.23822%0.222CC..Hα-helixtrans-102.3-17.6179.7-64.9-172.5-68.2159.84.6113.1P45 V49 G51 P53 E131 F132P45-R134 HydrophobicContact CB-CG 4.42Å; V49-R134 PolarHBondContact O-NH1 3.18Å; G51-R134 PolarHBondContact O-NH1 3.49Å; P53-R134 HydrophobicContact CB-CB 3.67Å; P53-R134 HydrophobicContact CG-CB 3.92Å; E131-R134 VanDerWaalsContact CD-NE 3.34Å; E131-R134 VanDerWaalsContact CD-NH2 3.28Å; E131-R134 PolarHBondContact O-N 2.85Å; E131-R134 IonicContact OE1-CZ 3.58Å; E131-R134 VanDerWaalsContact OE1-CZ 3.28Å; E131-R134 IonicContact OE1-NE 3.4Å; E131-R134 PolarHBondContact OE1-NE 2.95Å; E131-R134 IonicContact OE1-NH2 2.62Å; E131-R134 PolarHBondContact OE1-NH2 3.37Å; E131-R134 VanDerWaalsContact OE1-NH2 3.12Å; E131-R134 IonicContact OE2-CZ 2.93Å; E131-R134 IonicContact OE2-NE 3.12Å; E131-R134 PolarHBondContact OE2-NE 3.43Å; E131-R134 IonicContact OE2-NH2 3.28Å; E131-R134 PolarHBondContact OE2-NH2 2.76Å; F132-R134 VanDerWaalsContact C-N 3.27Å; F132-R134 PolarHBondContact O-N 3.14Å
135L91Very high93.2Very high45 Ų4546.1 Ų46.124%0.23621%0.21CC..Hα-helixtrans-87.3-32178.9-69.1172.9000113.6L12 P53 K54 Q130 E131 F132L12-L135 HydrophobicContact CD1-CB 4.41Å; P53-L135 HydrophobicContact CB-CD2 3.98Å; P53-L135 HydrophobicContact CB-CG 3.99Å; P53-L135 HydrophobicContact CG-CD2 3.9Å; P53-L135 HydrophobicContact CG-CG 4.39Å; K54-L135 HydrophobicContact CG-CD2 3.74Å; Q130-L135 HydrophobicContact CB-CD1 3.76Å; E131-L135 WeakPolarHBondContact O-CB 3.5Å; E131-L135 VanDerWaalsContact O-CG 3.3Å; E131-L135 WeakPolarHBondContact O-CG 3.21Å; E131-L135 PolarHBondContact O-N 3Å; F132-L135 PolarHBondContact O-N 3.26Å
136L89.4Confident93.1Very high9 Ų941.6 Ų41.65%0.04719%0.189CC..SBendtrans-103.6115.8-169.7-158.466.4000110.4L12 P13 Y15 F132 N138 W139 F148L12-L136 HydrophobicContact CB-CD1 3.27Å; L12-L136 HydrophobicContact CD1-CD1 3.88Å; L12-L136 HydrophobicContact CG-CD1 4.19Å; P13-L136 WeakPolarHBondContact O-CD1 3.46Å; Y15-L136 HydrophobicContact CD2-CD2 3.64Å; Y15-L136 HydrophobicContact CG-CD2 4.09Å; F132-L136 HydrophobicContact CB-CB 4.29Å; F132-L136 HydrophobicContact CD1-CD2 4.45Å; F132-L136 WeakPolarHBondContact O-CB 3.2Å; F132-L136 PolarHBondContact O-N 2.8Å; L136-N138 PolarHBondContact O-N 3.39Å; L136-W139 HydrophobicContact CB-CB 4.31Å; L136-W139 HydrophobicContact CD2-CE3 3.87Å; L136-W139 HydrophobicContact CD2-CZ3 4.31Å; L136-W139 WeakPolarHBondContact O-CB 3.33Å; L136-W139 PolarHBondContact O-N 3.21Å; L136-F148 HydrophobicContact CD2-CE2 4.03Å; L136-F148 HydrophobicContact CD2-CZ 3.68Å
137Q89.5Confident92.9Very high131 Ų13141.7 Ų41.761%0.61219%0.19SC*.THydrogen-bonded Turntrans-57139.1173.1-173.3176.13700109.8P14 Y15 W139P14-Q137 CarbonylContact C-O 3.45Å; P14-Q137 HydrophobicContact CB-CB 4.1Å; P14-Q137 HydrophobicContact CB-CG 4.42Å; P14-Q137 HydrophobicContact CG-CB 4.43Å; Y15-Q137 WeakPolarHBondContact CB-O 3.46Å; Y15-Q137 PolarHBondContact N-O 3Å; Q137-W139 PolarHBondContact O-N 2.87Å
138N92.3Very high92.8Very high108 Ų10840.1 Ų40.158%0.57818%0.183SC*.THydrogen-bonded Turntrans62.619-178.9-53.1-24.2000115.3Y15 L136 V140Y15-N138 WeakPolarHBondContact CB-O 3.33Å; Y15-N138 VanDerWaalsContact CD1-O 3.31Å; Y15-N138 WeakPolarHBondContact CD1-O 3.47Å; L136-N138 PolarHBondContact O-N 3.39Å; N138-V140 PolarHBondContact O-N 3.13Å
139W93.6Very high92.4Very high35 Ų3540.7 Ų40.713%0.13319%0.188CC..  trans-52.6133.6176.6175.7-108.5000112Y15 Y43 F132 E133 L136 Q137 F148Y15-W139 AromaticContact CD2-CE3 3.52Å; Y15-W139 HydrophobicContact CD2-CE3 3.52Å; Y15-W139 AromaticContact CD2-CZ3 3.79Å; Y15-W139 HydrophobicContact CD2-CZ3 3.79Å; Y15-W139 AromaticContact CE2-CE3 3.69Å; Y15-W139 HydrophobicContact CE2-CE3 3.69Å; Y15-W139 AromaticContact CE2-CZ3 3.58Å; Y15-W139 HydrophobicContact CE2-CZ3 3.58Å; Y15-W139 HydrophobicContact CG-CE3 4.1Å; Y43-W139 VanDerWaalsContact CD1-O 3.31Å; Y43-W139 WeakPolarHBondContact CD1-O 3.37Å; F132-W139 HydrophobicContact CB-CD2 4.02Å; F132-W139 HydrophobicContact CB-CE3 3.91Å; F132-W139 HydrophobicContact CB-CH2 3.97Å; F132-W139 HydrophobicContact CB-CZ2 4.14Å; F132-W139 HydrophobicContact CB-CZ3 3.89Å; F132-W139 HydrophobicContact CD2-CH2 4.18Å; F132-W139 HydrophobicContact CD2-CZ3 4.45Å; F132-W139 HydrophobicContact CG-CH2 4.41Å; F132-W139 HydrophobicContact CG-CZ3 4.34Å; E133-W139 VanDerWaalsContact CA-CD1 3.43Å; L136-W139 HydrophobicContact CB-CB 4.31Å; L136-W139 HydrophobicContact CD2-CE3 3.87Å; L136-W139 HydrophobicContact CD2-CZ3 4.31Å; L136-W139 WeakPolarHBondContact O-CB 3.33Å; L136-W139 PolarHBondContact O-N 3.21Å; Q137-W139 PolarHBondContact O-N 2.87Å; W139-F148 HydrophobicContact CE3-CE2 4.35Å; W139-F148 AromaticContact CH2-CD2 3.68Å; W139-F148 HydrophobicContact CH2-CD2 3.68Å; W139-F148 HydrophobicContact CH2-CE2 4.02Å; W139-F148 HydrophobicContact CH2-CG 4.17Å; W139-F148 HydrophobicContact CZ3-CD1 4.4Å; W139-F148 AromaticContact CZ3-CD2 3.52Å; W139-F148 HydrophobicContact CZ3-CD2 3.52Å; W139-F148 HydrophobicContact CZ3-CE1 4.31Å; W139-F148 AromaticContact CZ3-CE2 3.4Å; W139-F148 HydrophobicContact CZ3-CE2 3.4Å; W139-F148 VanDerWaalsContact CZ3-CE2 3.4Å; W139-F148 HydrophobicContact CZ3-CG 4.04Å; W139-F148 AromaticContact CZ3-CZ 3.83Å; W139-F148 HydrophobicContact CZ3-CZ 3.83Å
140V94.9Very high91.9Very high7 Ų742.5 Ų42.54%0.04221%0.208CC..  trans-120.8128171.6-176.90000108.4Y15 A38 A41 N138 L144 G146 G147Y15-V140 HydrophobicContact CD1-CB 4.32Å; Y15-V140 HydrophobicContact CD1-CG2 4.22Å; Y15-V140 HydrophobicContact CE1-CB 3.85Å; Y15-V140 HydrophobicContact CE1-CG2 4.13Å; A38-V140 HydrophobicContact CB-CB 4.28Å; A38-V140 HydrophobicContact CB-CG1 3.9Å; A41-V140 HydrophobicContact CB-CG1 3.83Å; A41-V140 HydrophobicContact CB-CG2 4.41Å; N138-V140 PolarHBondContact O-N 3.13Å; V140-L144 HydrophobicContact CG1-CB 3.61Å; V140-L144 HydrophobicContact CG1-CD1 4.49Å; V140-G146 CarbonylContact O-C 3.59Å; V140-G146 WeakPolarHBondContact O-CA 3.45Å; V140-G147 PolarHBondContact O-N 2.94Å
141P94.3Very high91.3Very high11 Ų1151.4 Ų51.47%0.07124%0.242CC..  trans-73.1161.5178.530.4-36.8000112.2Y43 R143 L144 G146Y43-P141 HydrophobicContact CD1-CG 4.37Å; Y43-P141 HydrophobicContact CD2-CG 3.81Å; Y43-P141 HydrophobicContact CE1-CG 4.28Å; Y43-P141 HydrophobicContact CE2-CG 3.74Å; Y43-P141 VanDerWaalsContact CG-CD 3.42Å; Y43-P141 HydrophobicContact CG-CG 4.11Å; P141-R143 VanDerWaalsContact C-N 3.26Å; P141-R143 HydrophobicContact CB-CG 4.4Å; P141-R143 HydrophobicContact CG-CG 4.14Å; P141-R143 PolarHBondContact O-N 3.16Å; P141-R143 VanDerWaalsContact O-N 3.16Å; P141-L144 HydrophobicContact CG-CD1 4.12Å; P141-L144 HydrophobicContact CG-CG 4.21Å; P141-L144 PolarHBondContact O-N 3.37Å; P141-G146 WeakPolarHBondContact O-CA 3.45Å; P141-G146 PolarHBondContact O-N 3.12Å
142R92.5Very high90.5Very high89 Ų8959.6 Ų59.634%0.33628%0.277SS..G310 helixtrans-56.6-35.3-177.6-171.861.2179.3-143.86.2114L144 G145 G146 Q156R142-L144 PolarHBondContact O-N 2.94Å; R142-G145 WeakPolarHBondContact O-CA 3.36Å; R142-G145 PolarHBondContact O-N 3.22Å; R142-G146 WeakPolarHBondContact CA-O 3.45Å; R142-G146 WeakPolarHBondContact CD-O 3.47Å; R142-Q156 PolarHBondContact NH1-O 2.91Å; R142-Q156 VanDerWaalsContact NH1-O 3.12Å; R142-Q156 PolarHBondContact NH2-O 3.12Å
143R92.2Very high90.1Very high173 Ų17364.4 Ų64.465%0.65331%0.312SS*.G310 helixtrans-63.1-21.8178.769.6-178.7177.6-92.9-0.2114.4Y43 P141 G145Y43-R143 PolarHBondContact OH-NH2 3.31Å; P141-R143 VanDerWaalsContact C-N 3.26Å; P141-R143 HydrophobicContact CB-CG 4.4Å; P141-R143 HydrophobicContact CG-CG 4.14Å; P141-R143 PolarHBondContact O-N 3.16Å; P141-R143 VanDerWaalsContact O-N 3.16Å; R143-G145 VanDerWaalsContact C-N 3.33Å
144L94.3Very high89.5Confident65 Ų6565.5 Ų65.534%0.3433%0.325SS..G310 helixtrans-100.619.6174.9-61.1-179.6000111.5S37 A38 A41 Y43 V140 P141 R142 G146S37-L144 CarbonylContact C-O 3.5Å; A38-L144 WeakPolarHBondContact CA-O 3.31Å; A38-L144 PolarHBondContact N-O 3.25Å; A41-L144 HydrophobicContact CB-CB 4.05Å; A41-L144 HydrophobicContact CB-CD1 4.21Å; Y43-L144 HydrophobicContact CD2-CD1 3.75Å; Y43-L144 HydrophobicContact CG-CD1 4.27Å; V140-L144 HydrophobicContact CG1-CB 3.61Å; V140-L144 HydrophobicContact CG1-CD1 4.49Å; P141-L144 HydrophobicContact CG-CD1 4.12Å; P141-L144 HydrophobicContact CG-CG 4.21Å; P141-L144 PolarHBondContact O-N 3.37Å; R142-L144 PolarHBondContact O-N 2.94Å; L144-G146 VanDerWaalsContact C-N 3.31Å
145G92.3Very high88.9Confident9 Ų965.6 Ų65.69%0.09335%0.345CS..THydrogen-bonded Turntrans73.622.3-176.300000113.2A34 A38 R142 R143 R158A34-G145 CarbonylContact C-O 3.19Å; A34-G145 CarbonylContact O-C 3.45Å; A34-G145 VanDerWaalsContact O-CA 3.31Å; A34-G145 WeakPolarHBondContact O-CA 3.48Å; A38-G145 VanDerWaalsContact CB-C 3.46Å; A38-G145 WeakPolarHBondContact CB-O 3.42Å; R142-G145 WeakPolarHBondContact O-CA 3.36Å; R142-G145 PolarHBondContact O-N 3.22Å; R143-G145 VanDerWaalsContact C-N 3.33Å; G145-R158 VanDerWaalsContact C-NH1 3.3Å; G145-R158 PolarHBondContact O-NH1 3.49Å; G145-R158 PolarHBondContact O-NH2 3.43Å
146G93.8Very high88.4Confident0 Ų067.1 Ų67.10%035%0.351CS..  trans-104-142.2174.900000113.2Y15 V140 P141 R142 L144 R158Y15-G146 VanDerWaalsContact OH-CA 3.26Å; Y15-G146 WeakPolarHBondContact OH-CA 3.36Å; V140-G146 CarbonylContact O-C 3.59Å; V140-G146 WeakPolarHBondContact O-CA 3.45Å; P141-G146 WeakPolarHBondContact O-CA 3.45Å; P141-G146 PolarHBondContact O-N 3.12Å; R142-G146 WeakPolarHBondContact CA-O 3.45Å; R142-G146 WeakPolarHBondContact CD-O 3.47Å; L144-G146 VanDerWaalsContact C-N 3.31Å; G146-R158 WeakPolarHBondContact O-CD 3.11Å; G146-R158 PolarHBondContact O-NE 3.12Å; G146-R158 VanDerWaalsContact O-NE 3.09Å; G146-R158 PolarHBondContact O-NH1 2.81Å
147G92.6Very high88.3Confident3 Ų368 Ų683%0.03136%0.355CS..  trans80.5-173.8177.700000114.2Y15 V140 R158Y15-G147 PolarHBondContact OH-N 3.31Å; Y15-G147 PolarHBondContact OH-O 3.43Å; V140-G147 PolarHBondContact O-N 2.94Å; G147-R158 VanDerWaalsContact O-CD 3.24Å; G147-R158 WeakPolarHBondContact O-CD 3.07Å
148F91.2Very high88.2Confident30 Ų3061.9 Ų61.913%0.13233%0.326CS..SBendtrans-123.1171172.4-65.4-48.5000110.6Y15 V20 F132 L136 W139 F159 C161 Y167Y15-F148 AromaticContact CD2-CE1 3.85Å; Y15-F148 HydrophobicContact CD2-CE1 3.85Å; Y15-F148 AromaticContact CD2-CZ 3.84Å; Y15-F148 HydrophobicContact CD2-CZ 3.84Å; Y15-F148 HydrophobicContact CE2-CD1 4.05Å; Y15-F148 AromaticContact CE2-CE1 3.56Å; Y15-F148 HydrophobicContact CE2-CE1 3.56Å; Y15-F148 AromaticContact CE2-CZ 3.95Å; Y15-F148 HydrophobicContact CE2-CZ 3.95Å; V20-F148 HydrophobicContact CB-CD1 4.5Å; V20-F148 HydrophobicContact CB-CE1 4.31Å; V20-F148 HydrophobicContact CG1-CD1 4.25Å; V20-F148 HydrophobicContact CG1-CE1 3.59Å; F132-F148 AromaticContact CD1-CE2 3.94Å; F132-F148 HydrophobicContact CD1-CE2 3.94Å; F132-F148 AromaticContact CD2-CD2 3.59Å; F132-F148 HydrophobicContact CD2-CD2 3.59Å; F132-F148 AromaticContact CD2-CE2 3.64Å; F132-F148 HydrophobicContact CD2-CE2 3.64Å; F132-F148 AromaticContact CE1-CE2 3.99Å; F132-F148 HydrophobicContact CE1-CE2 3.99Å; F132-F148 AromaticContact CE2-CD2 3.53Å; F132-F148 HydrophobicContact CE2-CD2 3.53Å; F132-F148 AromaticContact CE2-CE2 3.68Å; F132-F148 HydrophobicContact CE2-CE2 3.68Å; F132-F148 HydrophobicContact CG-CD2 4.19Å; F132-F148 AromaticContact CG-CE2 3.77Å; F132-F148 HydrophobicContact CG-CE2 3.77Å; F132-F148 HydrophobicContact CZ-CD2 4.09Å; F132-F148 AromaticContact CZ-CE2 3.86Å; F132-F148 HydrophobicContact CZ-CE2 3.86Å; L136-F148 HydrophobicContact CD2-CE2 4.03Å; L136-F148 HydrophobicContact CD2-CZ 3.68Å; W139-F148 HydrophobicContact CE3-CE2 4.35Å; W139-F148 AromaticContact CH2-CD2 3.68Å; W139-F148 HydrophobicContact CH2-CD2 3.68Å; W139-F148 HydrophobicContact CH2-CE2 4.02Å; W139-F148 HydrophobicContact CH2-CG 4.17Å; W139-F148 HydrophobicContact CZ3-CD1 4.4Å; W139-F148 AromaticContact CZ3-CD2 3.52Å; W139-F148 HydrophobicContact CZ3-CD2 3.52Å; W139-F148 HydrophobicContact CZ3-CE1 4.31Å; W139-F148 AromaticContact CZ3-CE2 3.4Å; W139-F148 HydrophobicContact CZ3-CE2 3.4Å; W139-F148 VanDerWaalsContact CZ3-CE2 3.4Å; W139-F148 HydrophobicContact CZ3-CG 4.04Å; W139-F148 AromaticContact CZ3-CZ 3.83Å; W139-F148 HydrophobicContact CZ3-CZ 3.83Å; F148-F159 WeakPolarHBondContact CD1-O 3.14Å; F148-F159 WeakPolarHBondContact CE1-O 3.21Å; F148-C161 HydrophobicContact CB-CB 3.53Å; F148-C161 HydrophobicContact CD2-CB 4.12Å; F148-C161 HydrophobicContact CG-CB 4.09Å; F148-Y167 HydrophobicContact CE1-CD1 4.26Å; F148-Y167 HydrophobicContact CE1-CE1 4.41Å; F148-Y167 HydrophobicContact CZ-CD1 4.39Å; F148-Y167 HydrophobicContact CZ-CE1 4.31Å
149G87.7Confident87.8Confident11 Ų1157.6 Ų57.611%0.11330%0.303CS..BIsolated β-bridgetrans76.2-158178.200000113.3R158G149-R158 PolarHBondContact N-O 3.09Å; G149-R158 PolarHBondContact O-N 2.92Å
150G83.5Confident87.2Confident42 Ų4255.9 Ų55.943%0.43330%0.296SS..  trans111.7175.3-168.800000111.4L157G150-L157 VanDerWaalsContact O-CD1 3.28Å; G150-L157 WeakPolarHBondContact O-CD1 3.27Å
151R80.3Confident86.6Confident192 Ų19256 Ų5673%0.72530%0.297SS*.  trans-111.9141.1177.3-65.4-179.7176.3-179.7-2.3108.4S153 S154R151-S153 PolarHBondContact O-N 2.92Å; R151-S154 PolarHBondContact O-N 2.89Å; R151-S154 PolarHBondContact O-OG 2.68Å
152K76.7Confident86Confident176 Ų17659 Ų5977%0.76531%0.307SS*.G310 helixtrans-54.2-40.4174.2-72.7-178.9178.9-178.80111.4S154 G155 L157K152-S154 PolarHBondContact O-N 3.26Å; K152-G155 PolarHBondContact O-N 2.95Å; K152-G155 VanDerWaalsContact O-N 3.13Å; K152-L157 HydrophobicContact CG-CD2 3.72Å
153S82.9Confident85.3Confident115 Ų11558.8 Ų58.880%0.80431%0.31SS*.G310 helixtrans-63.7-20.8177.855.10000114.5R151 G155R151-S153 PolarHBondContact O-N 2.92Å; S153-G155 VanDerWaalsContact C-N 3.32Å
154S81.9Confident84.6Confident62 Ų6252 Ų5243%0.43429%0.287SS..G310 helixtrans-86.3-2.8177.683.30000113.1R151 K152 Q156R151-S154 PolarHBondContact O-N 2.89Å; R151-S154 PolarHBondContact O-OG 2.68Å; K152-S154 PolarHBondContact O-N 3.26Å; S154-Q156 WeakPolarHBondContact O-CG 3.44Å; S154-Q156 PolarHBondContact O-N 3.27Å; S154-Q156 PolarHBondContact OG-N 2.59Å
155G80Confident83.7Confident64 Ų6450.8 Ų50.866%0.6628%0.283SS*.THydrogen-bonded Turntrans67.31.5-174.600000115K152 S153K152-G155 PolarHBondContact O-N 2.95Å; K152-G155 VanDerWaalsContact O-N 3.13Å; S153-G155 VanDerWaalsContact C-N 3.32Å
156Q81.2Confident82.5Confident77 Ų7755.3 Ų55.336%0.3630%0.301SS..  trans-126.252.1-171.1-58.2-173-2800112.3D32 R142 S154D32-Q156 WeakPolarHBondContact OD2-CG 3.26Å; R142-Q156 PolarHBondContact NH1-O 2.91Å; R142-Q156 VanDerWaalsContact NH1-O 3.12Å; R142-Q156 PolarHBondContact NH2-O 3.12Å; S154-Q156 WeakPolarHBondContact O-CG 3.44Å; S154-Q156 PolarHBondContact O-N 3.27Å; S154-Q156 PolarHBondContact OG-N 2.59Å
157L86.1Confident81.1Confident28 Ų2855.7 Ų55.715%0.14730%0.303CS..  trans-82.7138.5176.9-174.866.3000111.3G150 K152 F159G150-L157 VanDerWaalsContact O-CD1 3.28Å; G150-L157 WeakPolarHBondContact O-CD1 3.27Å; K152-L157 HydrophobicContact CG-CD2 3.72Å; L157-F159 HydrophobicContact CD2-CE1 3.97Å; L157-F159 HydrophobicContact CD2-CE2 4.05Å; L157-F159 HydrophobicContact CD2-CZ 3.46Å; L157-F159 VanDerWaalsContact CD2-CZ 3.46Å; L157-F159 HydrophobicContact CG-CE2 4.31Å; L157-F159 HydrophobicContact CG-CZ 4.15Å
158R87.7Confident79.5Confident2 Ų256.5 Ų56.51%0.00831%0.306CS..BIsolated β-bridgetrans-133.3126.2177.3-63.1157.5-169-96.60.5111.3V20 A34 L35 G145 G146 G147 G149V20-R158 CarbonylContact O-C 3.47Å; V20-R158 VanDerWaalsContact O-CA 3.24Å; V20-R158 WeakPolarHBondContact O-CA 3.24Å; A34-R158 VanDerWaalsContact CB-NH2 3.32Å; L35-R158 HydrophobicContact CD2-CG 4.49Å; L35-R158 VanDerWaalsContact CD2-NH1 3.33Å; G145-R158 VanDerWaalsContact C-NH1 3.3Å; G145-R158 PolarHBondContact O-NH1 3.49Å; G145-R158 PolarHBondContact O-NH2 3.43Å; G146-R158 WeakPolarHBondContact O-CD 3.11Å; G146-R158 PolarHBondContact O-NE 3.12Å; G146-R158 VanDerWaalsContact O-NE 3.09Å; G146-R158 PolarHBondContact O-NH1 2.81Å; G147-R158 VanDerWaalsContact O-CD 3.24Å; G147-R158 WeakPolarHBondContact O-CD 3.07Å; G149-R158 PolarHBondContact N-O 3.09Å; G149-R158 PolarHBondContact O-N 2.92Å
159F84.9Confident78.1Confident18 Ų1861 Ų618%0.07933%0.326CS..  trans-85.5149.5179.4-58.8-85.6000111.2V20 A23 F148 L157 N164 H166 Y167V20-F159 WeakPolarHBondContact CB-O 3.27Å; V20-F159 WeakPolarHBondContact CG1-O 3.49Å; V20-F159 WeakPolarHBondContact O-CD2 3.39Å; V20-F159 PolarHBondContact O-N 2.94Å; A23-F159 VanDerWaalsContact CA-CE2 3.48Å; A23-F159 HydrophobicContact CB-CD2 4.16Å; A23-F159 HydrophobicContact CB-CE1 4.1Å; A23-F159 HydrophobicContact CB-CE2 3.43Å; A23-F159 VanDerWaalsContact CB-CE2 3.43Å; A23-F159 HydrophobicContact CB-CZ 3.38Å; F148-F159 WeakPolarHBondContact CD1-O 3.14Å; F148-F159 WeakPolarHBondContact CE1-O 3.21Å; L157-F159 HydrophobicContact CD2-CE1 3.97Å; L157-F159 HydrophobicContact CD2-CE2 4.05Å; L157-F159 HydrophobicContact CD2-CZ 3.46Å; L157-F159 VanDerWaalsContact CD2-CZ 3.46Å; L157-F159 HydrophobicContact CG-CE2 4.31Å; L157-F159 HydrophobicContact CG-CZ 4.15Å; F159-N164 CarbonylContact C-O 3.48Å; F159-N164 WeakPolarHBondContact CA-O 3.49Å; F159-N164 HydrophobicContact CD1-CB 3.85Å; F159-N164 HydrophobicContact CE1-CB 4.48Å; F159-H166 HydrophobicContact CB-CB 4.26Å; F159-H166 HydrophobicContact CD1-CB 3.72Å; F159-H166 AromaticContact CD1-CD2 3.66Å; F159-H166 AromaticContact CD1-CG 3.99Å; F159-H166 HydrophobicContact CE1-CB 4.41Å; F159-H166 AromaticContact CE1-CD2 3.71Å; F159-H166 HydrophobicContact CG-CB 4.15Å; F159-Y167 WeakPolarHBondContact O-CB 3.39Å
160G80.3Confident76.6Confident0 Ų064.2 Ų64.20%034%0.34CS..SBendtrans129-16.4172.900000114.9N164 I168G160-N164 PolarHBondContact N-O 3.42Å; G160-I168 WeakPolarHBondContact O-CD1 3.5Å; G160-I168 WeakPolarHBondContact O-CG1 3.48Å
161C81.3Confident75.2Confident9 Ų964.1 Ų64.16%0.06133%0.328CS..SBendtrans-79.7171.5166.2600000111.4D129 F148 E163 N164 P165D129-C161 WeakPolarHBondContact OD2-CA 3.24Å; D129-C161 WeakPolarHBondContact OD2-CB 3.49Å; F148-C161 HydrophobicContact CB-CB 3.53Å; F148-C161 HydrophobicContact CD2-CB 4.12Å; F148-C161 HydrophobicContact CG-CB 4.09Å; C161-E163 PolarHBondContact O-N 3.03Å; C161-N164 CarbonylContact O-C 3.42Å; C161-N164 PolarHBondContact O-N 3.23Å; C161-P165 WeakPolarHBondContact O-CA 3.27Å
162R82.4Confident73.9Confident73 Ų7357 Ų5728%0.27531%0.306SS..THydrogen-bonded Turntrans-53.8-39.2175-177.7167.4175.9167.5-0.8113.6Y113 A114 H117 D129 N164Y113-R162 PolarHBondContact O-NH1 3.03Å; A114-R162 PolarHBondContact O-NH2 3.5Å; A114-R162 VanDerWaalsContact O-NH2 3.14Å; H117-R162 VanDerWaalsContact CB-NH1 3.3Å; H117-R162 PolarHBondContact CD2-NE 2.86Å; H117-R162 VanDerWaalsContact CD2-NE 3.27Å; H117-R162 VanDerWaalsContact CG-CZ 3.41Å; H117-R162 VanDerWaalsContact CG-NE 3.34Å; H117-R162 WeakPolarHBondContact ND1-CD 3.39Å; H117-R162 PolarHBondContact NE2-NE 3.43Å; D129-R162 PolarHBondContact OD2-N 3.13Å; R162-N164 VanDerWaalsContact C-N 3.27Å; R162-N164 PolarHBondContact O-N 2.83Å
163E78.9Confident72.8Confident86 Ų8656 Ų5640%0.40230%0.301SS..THydrogen-bonded Turntrans-68.3-23.7178.5-67.2-65.515900113.1H117 H118 C161H117-E163 IonicContact CE1-OE1 2.85Å; H117-E163 PolarHBondContact CE1-OE1 3.35Å; H117-E163 IonicContact ND1-OE1 3.97Å; H117-E163 IonicContact NE2-OE1 3.14Å; H117-E163 PolarHBondContact NE2-OE1 3.37Å; H117-E163 VanDerWaalsContact NE2-OE1 3.14Å; H118-E163 IonicContact CD2-OE1 3.62Å; H118-E163 IonicContact CE1-OE1 3.87Å; H118-E163 IonicContact NE2-OE1 2.81Å; H118-E163 PolarHBondContact NE2-OE1 2.77Å; C161-E163 PolarHBondContact O-N 3.03Å
164N77.5Confident71.2Confident31 Ų3153.4 Ų53.417%0.16628%0.283CS..SBendtrans-138.563.9-175.2-67.9-80.1000111.1F159 G160 C161 R162 H166F159-N164 CarbonylContact C-O 3.48Å; F159-N164 WeakPolarHBondContact CA-O 3.49Å; F159-N164 HydrophobicContact CD1-CB 3.85Å; F159-N164 HydrophobicContact CE1-CB 4.48Å; G160-N164 PolarHBondContact N-O 3.42Å; C161-N164 CarbonylContact O-C 3.42Å; C161-N164 PolarHBondContact O-N 3.23Å; R162-N164 VanDerWaalsContact C-N 3.27Å; R162-N164 PolarHBondContact O-N 2.83Å; N164-H166 PolarHBondContact O-N 2.71Å
165P73.6Confident69.6Low39 Ų3953.4 Ų53.425%0.25328%0.283SS..THydrogen-bonded Turntrans-75.41.5-160.331.3-37.8000115.3C161 Y167 I168 K169C161-P165 WeakPolarHBondContact O-CA 3.27Å; P165-Y167 PolarHBondContact O-N 3.24Å; P165-Y167 VanDerWaalsContact O-N 3.16Å; P165-I168 PolarHBondContact O-N 3.4Å; P165-I168 VanDerWaalsContact O-N 3.13Å; P165-K169 HydrophobicContact CB-CD 4.35Å; P165-K169 HydrophobicContact CB-CG 4.48Å; P165-K169 HydrophobicContact CG-CD 4.43Å; P165-K169 PolarHBondContact O-N 3.09Å; P165-K169 VanDerWaalsContact O-N 3.12Å
166H68.2Low68.2Low104 Ų10454.9 Ų54.948%0.48128%0.283SS..Hα-helixtrans-52.1-41.3-173.8-73.5-87.5000113F159 N164 I170F159-H166 HydrophobicContact CB-CB 4.26Å; F159-H166 HydrophobicContact CD1-CB 3.72Å; F159-H166 AromaticContact CD1-CD2 3.66Å; F159-H166 AromaticContact CD1-CG 3.99Å; F159-H166 HydrophobicContact CE1-CB 4.41Å; F159-H166 AromaticContact CE1-CD2 3.71Å; F159-H166 HydrophobicContact CG-CB 4.15Å; N164-H166 PolarHBondContact O-N 2.71Å; H166-I170 WeakPolarHBondContact O-CD1 3.28Å; H166-I170 WeakPolarHBondContact O-CG1 3.49Å; H166-I170 PolarHBondContact O-N 3.27Å
167Y63.5Low66.8Low7 Ų757.5 Ų57.53%0.02730%0.299CS..Hα-helixtrans-65.4-42.4179.9170.2-96.2000113.6P13 P14 Y15 K19 V20 F148 F159 P165 H171P13-Y167 HydrophobicContact CG-CE1 3.87Å; P14-Y167 PolarHBondContact O-OH 3.26Å; Y15-Y167 WeakPolarHBondContact CA-OH 3.43Å; K19-Y167 HydrophobicContact CB-CD2 3.83Å; K19-Y167 HydrophobicContact CB-CE2 3.64Å; K19-Y167 HydrophobicContact CD-CE2 4.35Å; V20-Y167 HydrophobicContact CG1-CD1 4.28Å; V20-Y167 HydrophobicContact CG1-CD2 3.79Å; V20-Y167 HydrophobicContact CG1-CE1 4.23Å; V20-Y167 HydrophobicContact CG1-CE2 3.76Å; V20-Y167 HydrophobicContact CG1-CG 4.05Å; F148-Y167 HydrophobicContact CE1-CD1 4.26Å; F148-Y167 HydrophobicContact CE1-CE1 4.41Å; F148-Y167 HydrophobicContact CZ-CD1 4.39Å; F148-Y167 HydrophobicContact CZ-CE1 4.31Å; F159-Y167 WeakPolarHBondContact O-CB 3.39Å; P165-Y167 PolarHBondContact O-N 3.24Å; P165-Y167 VanDerWaalsContact O-N 3.16Å; Y167-H171 AromaticContact CE2-CE1 3.93Å; Y167-H171 PolarHBondContact O-ND1 3.49Å
168I60.6Low65.3Low21 Ų2166.8 Ų66.811%0.10833%0.332CS..Hα-helixtrans-69.9-41.9178.8-65.9179.2000110.6P10 L12 G160 P165 I170 H171 T172P10-I168 HydrophobicContact CG-CG2 4.22Å; L12-I168 HydrophobicContact CD2-CD1 3.68Å; L12-I168 HydrophobicContact CD2-CG1 4.17Å; L12-I168 HydrophobicContact CD2-CG2 4.5Å; G160-I168 WeakPolarHBondContact O-CD1 3.5Å; G160-I168 WeakPolarHBondContact O-CG1 3.48Å; P165-I168 PolarHBondContact O-N 3.4Å; P165-I168 VanDerWaalsContact O-N 3.13Å; I168-I170 VanDerWaalsContact C-N 3.34Å; I168-I170 PolarHBondContact O-N 3.41Å; I168-H171 PolarHBondContact O-N 3.48Å; I168-T172 HydrophobicContact CG2-CG2 4.06Å; I168-T172 WeakPolarHBondContact O-CG2 3.28Å; I168-T172 PolarHBondContact O-N 3.06Å; I168-T172 VanDerWaalsContact O-N 3.13Å; I168-T172 PolarHBondContact O-OG1 3.19Å
169K61Low63.5Low125 Ų12576 Ų7654%0.54337%0.372SS..Hα-helixtrans-64.5-34-174.7-72.1179.7178.2178.30113.6P165 T172 K173P165-K169 HydrophobicContact CB-CD 4.35Å; P165-K169 HydrophobicContact CB-CG 4.48Å; P165-K169 HydrophobicContact CG-CD 4.43Å; P165-K169 PolarHBondContact O-N 3.09Å; P165-K169 VanDerWaalsContact O-N 3.12Å; K169-T172 PolarHBondContact O-OG1 3.03Å; K169-K173 PolarHBondContact O-N 3.23Å
170I56.8Low61.6Low78 Ų7879.3 Ų79.340%0.440%0.398SS..Hα-helixtrans-69.5-39.3-179.4-67166.7000111H166 I168 S174H166-I170 WeakPolarHBondContact O-CD1 3.28Å; H166-I170 WeakPolarHBondContact O-CG1 3.49Å; H166-I170 PolarHBondContact O-N 3.27Å; I168-I170 VanDerWaalsContact C-N 3.34Å; I168-I170 PolarHBondContact O-N 3.41Å; I170-S174 PolarHBondContact O-N 2.85Å; I170-S174 PolarHBondContact O-OG 2.98Å
171H53.3Low59.8Low40 Ų4089.3 Ų89.319%0.18546%0.459CS..Hα-helixtrans-82.4-29.4-175.9-65.585.9000113P13 K19 Y167 I168 S174 S175P13-H171 HydrophobicContact CB-CB 3.8Å; P13-H171 HydrophobicContact CG-CB 3.63Å; K19-H171 PolarHBondContact NZ-NE2 3.03Å; Y167-H171 AromaticContact CE2-CE1 3.93Å; Y167-H171 PolarHBondContact O-ND1 3.49Å; I168-H171 PolarHBondContact O-N 3.48Å; H171-S174 WeakPolarHBondContact CA-OG 3.28Å; H171-S174 PolarHBondContact O-OG 3Å; H171-S174 VanDerWaalsContact O-OG 3.04Å; H171-S175 PolarHBondContact O-N 3.44Å
172T52.9Low58.7Low42 Ų4293.4 Ų93.426%0.25848%0.479SS..Hα-helixtrans-71.7-39.4175.953.10000112P10 I168 K169 S175 S176P10-T172 HydrophobicContact CB-CG2 4.22Å; I168-T172 HydrophobicContact CG2-CG2 4.06Å; I168-T172 WeakPolarHBondContact O-CG2 3.28Å; I168-T172 PolarHBondContact O-N 3.06Å; I168-T172 VanDerWaalsContact O-N 3.13Å; I168-T172 PolarHBondContact O-OG1 3.19Å; K169-T172 PolarHBondContact O-OG1 3.03Å; T172-S175 PolarHBondContact O-N 3.07Å; T172-S175 PolarHBondContact O-OG 3.23Å; T172-S176 PolarHBondContact O-N 3.15Å
173K53Low57.5Low156 Ų15694.4 Ų94.468%0.67849%0.49SS*.Hα-helixtrans-64.1-41.2176.4-74.6-170.9177.3-1720113.1K169 S175 S176 L177K169-K173 PolarHBondContact O-N 3.23Å; K173-S175 VanDerWaalsContact C-N 3.26Å; K173-S175 PolarHBondContact O-N 3.13Å; K173-S176 PolarHBondContact O-N 2.98Å; K173-L177 PolarHBondContact O-N 3.25Å
174S50.4Low56.3Low60 Ų6094.9 Ų94.942%0.4250%0.495SS..Hα-helixtrans-66.4-27179.248.40000113.2I170 H171I170-S174 PolarHBondContact O-N 2.85Å; I170-S174 PolarHBondContact O-OG 2.98Å; H171-S174 WeakPolarHBondContact CA-OG 3.28Å; H171-S174 PolarHBondContact O-OG 3Å; H171-S174 VanDerWaalsContact O-OG 3.04Å
175S48.6Very low55.1Low62 Ų6298.6 Ų98.643%0.43451%0.514SS..Hα-helixtrans-73-31.8175.174.60000113.9H171 T172 K173H171-S175 PolarHBondContact O-N 3.44Å; T172-S175 PolarHBondContact O-N 3.07Å; T172-S175 PolarHBondContact O-OG 3.23Å; K173-S175 VanDerWaalsContact C-N 3.26Å; K173-S175 PolarHBondContact O-N 3.13Å
176S50.4Low53.9Low95 Ų95102.4 Ų102.466%0.66453%0.53SS*.Hα-helixtrans-75.7-25.6176.5-79.20000113.5T172 K173 R178T172-S176 PolarHBondContact O-N 3.15Å; K173-S176 PolarHBondContact O-N 2.98Å; S176-R178 VanDerWaalsContact C-N 3.33Å
177L51.4Low52.9Low132 Ų132102.3 Ų102.369%0.69153%0.534SS*.THydrogen-bonded Turntrans-78-12.9178.3-85.4144.2000114K173K173-L177 PolarHBondContact O-N 3.25Å
178R53.6Low52.2Low223 Ų223109.1 Ų109.184%0.84257%0.57SS**THydrogen-bonded Turntrans-95.56.7-179.3-71.4-171.4179.2-162.9-0.8114.9S176S176-R178 VanDerWaalsContact C-N 3.33Å
179K50.9Low51.5Low194 Ų194115.8 Ų115.884%0.84361%0.605SS**SBendtrans-108.321.5179.3-71.4-166.6175.7-1710113.9
180S46.1Very low50.8Low89 Ų89115.1 Ų115.162%0.62261%0.61SS**  trans-131.162.2178.664.50000111.4
181T41.7Very low50.2Low210 Ų210118.5 Ų118.5100%1.28863%0.63SS**  trans-165.70157.7-26.50000107.3

Retrieved 181 of 181 residues in 168.5 ms (Link to these results)

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