A0A077Z4Y2_TRITR Loading...

DSPc domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4Y2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M42.1Very low79.2Confident233 Ų233108 Ų108100%1.14853%0.529SS*.  01340-68.7178.1177.400108.6R3M1-R3 PolarHBondContact O-N 3.11Å
2P48.3Very low80.6Confident124 Ų124102.3 Ų102.381%0.80551%0.512SS*.PPolyproline II helixtrans-59.6129.7173.8-10.923.5000108.6T4P2-T4 PolarHBondContact O-N 2.97Å; P2-T4 VanDerWaalsContact O-N 3.16Å
3R59.3Low81.8Confident243 Ų243102.8 Ų102.892%0.91752%0.518SS*.PPolyproline II helixtrans-60.2120.8175.1-67.8-177-175.4-172.91.2107.7M1 K5M1-R3 PolarHBondContact O-N 3.11Å; R3-K5 PolarHBondContact O-N 3.07Å
4T71.7Confident83Confident116 Ų11697.1 Ų97.171%0.71249%0.487SS*.PPolyproline II helixtrans-59.3124.8171.744.40000108.4P2P2-T4 PolarHBondContact O-N 2.97Å; P2-T4 VanDerWaalsContact O-N 3.16Å
5K84.1Confident84Confident126 Ų12695.7 Ų95.755%0.54849%0.486SS..PPolyproline II helixtrans-58.8132.1179.2-69.9-178.5-173.21720109R3 I7 D9 R75R3-K5 PolarHBondContact O-N 3.07Å; K5-I7 VanDerWaalsContact C-N 3.26Å; K5-I7 WeakPolarHBondContact CB-O 3.29Å; K5-I7 PolarHBondContact O-N 2.85Å; K5-D9 VanDerWaalsContact CD-OD1 3.29Å; K5-D9 WeakPolarHBondContact CD-OD1 3.38Å; K5-D9 IonicContact NZ-OD1 2.79Å; K5-D9 PolarHBondContact NZ-OD1 3.32Å; K5-D9 IonicContact NZ-OD2 2.68Å; K5-R75 PolarHBondContact O-NH1 3.44Å
6P89.9Confident84.9Confident57 Ų5791.6 Ų91.637%0.3747%0.471SS..SBendtrans-56-40.8-178-26.233000113.2L37 K40 R75P6-L37 HydrophobicContact CB-CD2 3.64Å; P6-K40 HydrophobicContact CB-CD 3.9Å; P6-K40 HydrophobicContact CG-CD 4.2Å; P6-R75 PolarHBondContact O-NH1 2.97Å
7I94.6Very high85.7Confident31 Ų3188.9 Ų88.916%0.15946%0.455CS..SBendtrans-102.6135.5175.4-57-178.5000108.4K5 W11 L33 L37 K40 L41K5-I7 VanDerWaalsContact C-N 3.26Å; K5-I7 WeakPolarHBondContact CB-O 3.29Å; K5-I7 PolarHBondContact O-N 2.85Å; I7-W11 HydrophobicContact CG2-CB 3.94Å; I7-W11 HydrophobicContact CG2-CE3 4.5Å; I7-W11 HydrophobicContact CG2-CG 4.32Å; I7-L33 HydrophobicContact CD1-CD1 4.46Å; I7-L33 HydrophobicContact CG1-CD1 4.33Å; I7-L33 HydrophobicContact CG2-CD1 4.22Å; I7-L37 WeakPolarHBondContact CD1-O 3.41Å; I7-K40 HydrophobicContact CD1-CB 4.03Å; I7-L41 HydrophobicContact CD1-CD2 3.51Å; I7-L41 HydrophobicContact CD1-CG 3.73Å; I7-L41 HydrophobicContact CG2-CD2 4.48Å
8P93.9Very high86.4Confident13 Ų1384.4 Ų84.48%0.08444%0.435CS..PPolyproline II helixtrans-60.6146175.7-19.331.7000112.2R10 W11 Y76 T134P8-R10 PolarHBondContact O-N 3.09Å; P8-W11 HydrophobicContact CB-CB 4.23Å; P8-W11 HydrophobicContact CG-CB 4.45Å; P8-W11 VanDerWaalsContact O-CB 3.31Å; P8-W11 WeakPolarHBondContact O-CB 3.44Å; P8-W11 PolarHBondContact O-N 2.82Å; P8-Y76 HydrophobicContact CG-CD1 4.44Å; P8-Y76 HydrophobicContact CG-CE1 3.44Å; P8-Y76 VanDerWaalsContact CG-CE1 3.44Å; P8-Y76 WeakPolarHBondContact CG-OH 3.4Å; P8-T134 HydrophobicContact CB-CG2 3.43Å; P8-T134 VanDerWaalsContact CB-CG2 3.43Å; P8-T134 HydrophobicContact CG-CG2 3.56Å
9D94.4Very high87.1Confident98 Ų9887.7 Ų87.752%0.52445%0.448SS..THydrogen-bonded Turntrans-56.1138.1174.2-71.1-34.3000110.8K5 W11 H135K5-D9 VanDerWaalsContact CD-OD1 3.29Å; K5-D9 WeakPolarHBondContact CD-OD1 3.38Å; K5-D9 IonicContact NZ-OD1 2.79Å; K5-D9 PolarHBondContact NZ-OD1 3.32Å; K5-D9 IonicContact NZ-OD2 2.68Å; D9-W11 PolarHBondContact O-N 2.75Å; D9-W11 VanDerWaalsContact O-N 3.09Å; D9-H135 PolarHBondContact O-NE2 3.43Å
10R95.1Very high87.6Confident145 Ų14585 Ų8555%0.54743%0.432SS..THydrogen-bonded Turntrans60.311.7179.7-57.9-171.1-65.3171.61115.4P8 A12 D13 Y14P8-R10 PolarHBondContact O-N 3.09Å; R10-A12 PolarHBondContact O-N 3.44Å; R10-A12 VanDerWaalsContact O-N 3.17Å; R10-D13 HydrophobicContact CB-CB 4.27Å; R10-D13 WeakPolarHBondContact CB-OD2 3.43Å; R10-D13 WeakPolarHBondContact CG-OD2 3.13Å; R10-D13 WeakPolarHBondContact O-CB 3.19Å; R10-D13 PolarHBondContact O-N 3.28Å; R10-Y14 HydrophobicContact CB-CE2 4.21Å; R10-Y14 WeakPolarHBondContact O-CD2 3.41Å; R10-Y14 WeakPolarHBondContact O-CE2 3.49Å
11W97.3Very high88.1Confident2 Ų281 Ų811%0.00841%0.411CS..G310 helixtrans-57.4-32.7-179.9179.594.3000113.1I7 P8 D9 D13 K30 T31 L33 L41 L46 Y48I7-W11 HydrophobicContact CG2-CB 3.94Å; I7-W11 HydrophobicContact CG2-CE3 4.5Å; I7-W11 HydrophobicContact CG2-CG 4.32Å; P8-W11 HydrophobicContact CB-CB 4.23Å; P8-W11 HydrophobicContact CG-CB 4.45Å; P8-W11 VanDerWaalsContact O-CB 3.31Å; P8-W11 WeakPolarHBondContact O-CB 3.44Å; P8-W11 PolarHBondContact O-N 2.82Å; D9-W11 PolarHBondContact O-N 2.75Å; D9-W11 VanDerWaalsContact O-N 3.09Å; W11-D13 VanDerWaalsContact C-N 3.31Å; W11-K30 HydrophobicContact CD2-CD 4.22Å; W11-K30 HydrophobicContact CZ2-CD 4.02Å; W11-K30 HydrophobicContact CZ2-CG 4.28Å; W11-K30 PolarHBondContact O-NZ 2.66Å; W11-T31 WeakPolarHBondContact CZ2-O 3.32Å; W11-T31 PolarHBondContact NE1-O 2.71Å; W11-L33 HydrophobicContact CD2-CD1 3.89Å; W11-L33 HydrophobicContact CD2-CG 4.45Å; W11-L33 HydrophobicContact CE3-CD1 4.01Å; W11-L33 HydrophobicContact CH2-CD1 3.76Å; W11-L33 HydrophobicContact CH2-CG 4.15Å; W11-L33 HydrophobicContact CZ2-CD1 3.63Å; W11-L33 HydrophobicContact CZ2-CG 3.6Å; W11-L33 HydrophobicContact CZ3-CD1 3.97Å; W11-L41 HydrophobicContact CE3-CD2 4.19Å; W11-L41 HydrophobicContact CH2-CD1 4.25Å; W11-L41 HydrophobicContact CZ3-CD1 3.72Å; W11-L41 HydrophobicContact CZ3-CD2 4.09Å; W11-L46 WeakPolarHBondContact CZ3-O 3.29Å; W11-Y48 HydrophobicContact CZ2-CD1 4.17Å
12A96.3Very high90.8Very high39 Ų3973.5 Ų73.532%0.32238%0.38SS..G310 helixtrans-74.9-17.6177.100000113.7R10 Y14 L46R10-A12 PolarHBondContact O-N 3.44Å; R10-A12 VanDerWaalsContact O-N 3.17Å; A12-Y14 PolarHBondContact O-N 3.38Å; A12-L46 HydrophobicContact CB-CD1 4.2Å
13D96.6Very high93Very high110 Ų11070 Ų7059%0.58837%0.366SS*.G310 helixtrans-76.4-13.2-177.5-53.3-2.4000111.8R10 W11R10-D13 HydrophobicContact CB-CB 4.27Å; R10-D13 WeakPolarHBondContact CB-OD2 3.43Å; R10-D13 WeakPolarHBondContact CG-OD2 3.13Å; R10-D13 WeakPolarHBondContact O-CB 3.19Å; R10-D13 PolarHBondContact O-N 3.28Å; W11-D13 VanDerWaalsContact C-N 3.31Å
14Y98.1Very high94.9Very high22 Ų2258.6 Ų58.69%0.08632%0.324CS..SBendtrans-104.3140.7179.2-58.9-94.2000110.7R10 A12 K30 H135 V137 H169R10-Y14 HydrophobicContact CB-CE2 4.21Å; R10-Y14 WeakPolarHBondContact O-CD2 3.41Å; R10-Y14 WeakPolarHBondContact O-CE2 3.49Å; A12-Y14 PolarHBondContact O-N 3.38Å; Y14-K30 WeakPolarHBondContact O-CE 3.44Å; Y14-K30 PolarHBondContact O-NZ 2.69Å; Y14-H135 HydrophobicContact CD1-CB 4.2Å; Y14-H135 HydrophobicContact CD2-CB 3.9Å; Y14-H135 AromaticContact CD2-CD2 3.5Å; Y14-H135 VanDerWaalsContact CD2-CD2 3.5Å; Y14-H135 WeakPolarHBondContact CD2-CD2 3.42Å; Y14-H135 HydrophobicContact CE1-CB 4.13Å; Y14-H135 HydrophobicContact CE2-CB 3.84Å; Y14-H135 AromaticContact CE2-CD2 3.27Å; Y14-H135 WeakPolarHBondContact CE2-CD2 3.49Å; Y14-H135 AromaticContact CE2-CG 3.69Å; Y14-H135 HydrophobicContact CG-CB 4.09Å; Y14-V137 HydrophobicContact CD1-CG2 3.67Å; Y14-V137 HydrophobicContact CE1-CG2 3.63Å; Y14-H169 HydrophobicContact CD1-CB 4.42Å; Y14-H169 AromaticContact CD1-CE1 3.93Å; Y14-H169 AromaticContact CD1-CG 3.81Å; Y14-H169 AromaticContact CD1-ND1 3.54Å
15T98.1Very high96.1Very high76 Ų7653.1 Ų53.147%0.46629%0.29SS..  trans-61.2153.3169.853.70000110.6R167 H169T15-R167 PolarHBondContact O-NH1 3.05Å; T15-R167 PolarHBondContact O-NH2 3.08Å; T15-R167 PolarHBondContact OG1-NH1 2.82Å; T15-H169 PolarHBondContact N-NE2 3.14Å; T15-H169 PolarHBondContact OG1-NE2 3.12Å; T15-H169 VanDerWaalsContact OG1-NE2 3.08Å
16A98.4Very high96.8Very high30 Ų3047.1 Ų47.125%0.24826%0.264CS..SBendtrans-55.4-57.6-175.400000113S29 K30 Y48A16-S29 PolarHBondContact O-OG 3.44Å; A16-S29 VanDerWaalsContact O-OG 3.09Å; A16-K30 WeakPolarHBondContact O-CG 3.35Å; A16-K30 PolarHBondContact O-N 2.9Å; A16-Y48 HydrophobicContact CB-CD1 4.17Å; A16-Y48 HydrophobicContact CB-CD2 3.66Å; A16-Y48 HydrophobicContact CB-CE1 4.15Å; A16-Y48 HydrophobicContact CB-CE2 3.66Å; A16-Y48 HydrophobicContact CB-CG 3.92Å
17F98.7Very high97.3Very high46 Ų4644.4 Ų44.420%0.20225%0.247CC..BIsolated β-bridgetrans-141.6166.317560.3-80.2000109.7I27 P28 Y48 E56 I57 T60F17-I27 HydrophobicContact CB-CG2 4.25Å; F17-I27 HydrophobicContact CD2-CG2 4.06Å; F17-P28 CarbonylContact C-O 3.33Å; F17-P28 WeakPolarHBondContact CA-O 3.43Å; F17-Y48 HydrophobicContact CD1-CE2 4.31Å; F17-E56 HydrophobicContact CE1-CB 3.63Å; F17-E56 HydrophobicContact CZ-CB 4.01Å; F17-I57 HydrophobicContact CD1-CG1 4.16Å; F17-I57 HydrophobicContact CD2-CD1 4.32Å; F17-I57 HydrophobicContact CD2-CG1 3.67Å; F17-I57 HydrophobicContact CE1-CG1 4.21Å; F17-I57 HydrophobicContact CE2-CG1 3.73Å; F17-I57 HydrophobicContact CG-CD1 4.3Å; F17-I57 HydrophobicContact CG-CG1 3.92Å; F17-I57 HydrophobicContact CZ-CG1 4.01Å; F17-T60 HydrophobicContact CE2-CG2 4.05Å; F17-T60 HydrophobicContact CZ-CG2 4.18Å
18G98.6Very high97.5Very high9 Ų943 Ų439%0.09324%0.239CC..  trans-99.3178.5170.300000112I27 P28 C166G18-I27 WeakPolarHBondContact O-CG2 3.19Å; G18-P28 PolarHBondContact N-O 3.23Å; G18-C166 CarbonylContact C-O 3.49Å; G18-C166 WeakPolarHBondContact CA-O 3.47Å
19E98.5Very high97.7Very high147 Ų14742.3 Ų42.369%0.68724%0.235SC*.PPolyproline II helixtrans-67.7158.7171.1-65177.5-177.600111.2I21 P28 C166E19-I21 PolarHBondContact O-N 3.38Å; E19-P28 WeakPolarHBondContact O-CD 3.45Å; E19-C166 HydrophobicContact CB-CB 4.39Å; E19-C166 PolarHBondContact N-O 2.84Å
20R98.5Very high97.9Very high33 Ų3338 Ų3813%0.12521%0.212CC..PPolyproline II helixtrans-64.9130.7171-173.6-177.7-175.2-170.110109.1P22 T24 F26 I27 H62 Y121 D125 A127R20-P22 WeakPolarHBondContact O-CD 3.42Å; R20-T24 WeakPolarHBondContact CG-O 3.31Å; R20-T24 PolarHBondContact NE-O 3.27Å; R20-F26 WeakPolarHBondContact CA-O 3.33Å; R20-I27 HydrophobicContact CB-CD1 4.27Å; R20-I27 HydrophobicContact CB-CG1 3.76Å; R20-I27 HydrophobicContact CG-CG1 4.03Å; R20-H62 WeakPolarHBondContact CB-NE2 3.36Å; R20-Y121 VanDerWaalsContact NH2-CE2 3.27Å; R20-Y121 PolarHBondContact NH2-OH 3.45Å; R20-D125 PolarHBondContact NH1-O 3.47Å; R20-D125 PolarHBondContact NH2-O 3.47Å; R20-A127 PolarHBondContact NH2-O 2.91Å; R20-A127 VanDerWaalsContact NH2-O 3.08Å
21I98.4Very high98.1Very high0 Ų031.1 Ų31.10%019%0.186CC..PPolyproline II helixtrans-67.2122.1176.6-61.6169.7000107.9E19 G23 T24 F26 I144 L148 W154 F163 C166E19-I21 PolarHBondContact O-N 3.38Å; I21-G23 PolarHBondContact O-N 3.4Å; I21-T24 HydrophobicContact CB-CG2 4.4Å; I21-T24 WeakPolarHBondContact CB-OG1 3.39Å; I21-T24 HydrophobicContact CG2-CG2 3.97Å; I21-T24 PolarHBondContact O-N 3.23Å; I21-T24 VanDerWaalsContact O-N 3.09Å; I21-T24 PolarHBondContact O-OG1 2.73Å; I21-F26 HydrophobicContact CD1-CB 4.33Å; I21-F26 PolarHBondContact N-O 2.8Å; I21-I144 HydrophobicContact CD1-CG2 3.57Å; I21-L148 HydrophobicContact CG2-CD1 4.44Å; I21-W154 HydrophobicContact CG2-CH2 4Å; I21-W154 HydrophobicContact CG2-CZ3 4.15Å; I21-F163 HydrophobicContact CD1-CD2 4.01Å; I21-C166 HydrophobicContact CG1-CB 4.03Å
22P97.1Very high98.2Very high76 Ų7631 Ų3149%0.49419%0.185SC..THydrogen-bonded Turntrans-52.3135.1-172.5-29.635.3000113.3R20 T24 W154R20-P22 WeakPolarHBondContact O-CD 3.42Å; P22-T24 PolarHBondContact O-N 3.33Å; P22-W154 VanDerWaalsContact O-CH2 3.32Å; P22-W154 WeakPolarHBondContact O-CH2 3.43Å
23G96.2Very high98.3Very high50 Ų5029.1 Ų29.152%0.51517%0.17SC..THydrogen-bonded Turntrans73.27.9179.600000115.4I21I21-G23 PolarHBondContact O-N 3.4Å
24T98.1Very high98.3Very high4 Ų425.2 Ų25.23%0.02515%0.151CC..SBendtrans-130.2159.5-178.683.50000111.2R20 I21 P22 F26 Y121 L148 W154R20-T24 WeakPolarHBondContact CG-O 3.31Å; R20-T24 PolarHBondContact NE-O 3.27Å; I21-T24 HydrophobicContact CB-CG2 4.4Å; I21-T24 WeakPolarHBondContact CB-OG1 3.39Å; I21-T24 HydrophobicContact CG2-CG2 3.97Å; I21-T24 PolarHBondContact O-N 3.23Å; I21-T24 VanDerWaalsContact O-N 3.09Å; I21-T24 PolarHBondContact O-OG1 2.73Å; P22-T24 PolarHBondContact O-N 3.33Å; T24-F26 HydrophobicContact CG2-CD2 4.45Å; T24-F26 PolarHBondContact O-N 3Å; T24-F26 PolarHBondContact OG1-N 3.08Å; T24-Y121 PolarHBondContact O-OH 3.3Å; T24-L148 HydrophobicContact CG2-CD1 4.15Å; T24-L148 HydrophobicContact CG2-CD2 3.62Å; T24-W154 HydrophobicContact CG2-CH2 3.76Å; T24-W154 HydrophobicContact CG2-CZ2 3.54Å
25P98.4Very high98.3Very high1 Ų129.9 Ų29.91%0.00617%0.174CC..SBendtrans-76.1-2.7174.331.3-35.1000113.1F115 Y121 A128 I129P25-F115 HydrophobicContact CB-CE1 3.9Å; P25-F115 HydrophobicContact CG-CE1 4.46Å; P25-Y121 HydrophobicContact CB-CD2 4.35Å; P25-Y121 HydrophobicContact CB-CE1 4.45Å; P25-Y121 HydrophobicContact CB-CE2 3.8Å; P25-Y121 HydrophobicContact CG-CE1 4.32Å; P25-Y121 VanDerWaalsContact N-OH 3.12Å; P25-A128 CarbonylContact O-C 3.32Å; P25-A128 VanDerWaalsContact O-CA 3.29Å; P25-A128 WeakPolarHBondContact O-CA 3.4Å; P25-I129 HydrophobicContact CB-CD1 4.19Å; P25-I129 HydrophobicContact CB-CG1 4.07Å; P25-I129 HydrophobicContact CG-CD1 3.87Å; P25-I129 HydrophobicContact CG-CG1 4.3Å; P25-I129 PolarHBondContact O-N 3.26Å
26F98.8Very high98.2Very high0 Ų034.6 Ų34.60%018%0.183CC..EExtended strand (participates in β ladder)trans-85.6127.6-163.1-59.8-62000114R20 I21 T24 F108 V112 I129 V131 I144 Y147 L148R20-F26 WeakPolarHBondContact CA-O 3.33Å; I21-F26 HydrophobicContact CD1-CB 4.33Å; I21-F26 PolarHBondContact N-O 2.8Å; T24-F26 HydrophobicContact CG2-CD2 4.45Å; T24-F26 PolarHBondContact O-N 3Å; T24-F26 PolarHBondContact OG1-N 3.08Å; F26-F108 HydrophobicContact CE1-CE1 4.26Å; F26-F108 AromaticContact CE1-CZ 3.91Å; F26-F108 HydrophobicContact CE1-CZ 3.91Å; F26-F108 HydrophobicContact CZ-CE1 4.34Å; F26-F108 HydrophobicContact CZ-CZ 4.41Å; F26-V112 HydrophobicContact CE1-CG1 4.18Å; F26-V112 HydrophobicContact CE1-CG2 3.73Å; F26-V112 HydrophobicContact CZ-CG1 3.78Å; F26-V112 HydrophobicContact CZ-CG2 3.88Å; F26-I129 WeakPolarHBondContact CA-O 3.31Å; F26-I129 HydrophobicContact CD1-CB 4.23Å; F26-I129 HydrophobicContact CD1-CG2 4.45Å; F26-I129 HydrophobicContact CE1-CD1 4.07Å; F26-V131 HydrophobicContact CD1-CG2 3.93Å; F26-V131 HydrophobicContact CE1-CG2 4.44Å; F26-I144 HydrophobicContact CB-CD1 4.03Å; F26-I144 HydrophobicContact CB-CG1 4.27Å; F26-I144 HydrophobicContact CB-CG2 4.31Å; F26-I144 HydrophobicContact CD1-CG1 4.18Å; F26-I144 HydrophobicContact CD2-CG2 3.97Å; F26-I144 HydrophobicContact CG-CD1 4.4Å; F26-I144 HydrophobicContact CG-CG1 4.11Å; F26-I144 HydrophobicContact CG-CG2 4.19Å; F26-Y147 AromaticContact CE2-CD1 3.57Å; F26-Y147 HydrophobicContact CE2-CD1 3.57Å; F26-Y147 AromaticContact CE2-CE1 3.79Å; F26-Y147 HydrophobicContact CE2-CE1 3.79Å; F26-Y147 AromaticContact CZ-CD1 3.54Å; F26-Y147 HydrophobicContact CZ-CD1 3.54Å; F26-Y147 AromaticContact CZ-CE1 3.71Å; F26-Y147 HydrophobicContact CZ-CE1 3.71Å; F26-Y147 HydrophobicContact CZ-CG 4.25Å; F26-L148 HydrophobicContact CD2-CD1 4.5Å; F26-L148 HydrophobicContact CD2-CD2 4.22Å; F26-L148 HydrophobicContact CD2-CG 4.46Å; F26-L148 HydrophobicContact CE2-CD2 3.87Å; F26-L148 HydrophobicContact CE2-CG 4.23Å
27I98.8Very high98.2Very high1 Ų133.4 Ų33.41%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-118.5114.4167.8-63.4175.5000108.3F17 G18 R20 I57 H62 A128 I129 C130 V131F17-I27 HydrophobicContact CB-CG2 4.25Å; F17-I27 HydrophobicContact CD2-CG2 4.06Å; G18-I27 WeakPolarHBondContact O-CG2 3.19Å; R20-I27 HydrophobicContact CB-CD1 4.27Å; R20-I27 HydrophobicContact CB-CG1 3.76Å; R20-I27 HydrophobicContact CG-CG1 4.03Å; I27-I57 HydrophobicContact CD1-CG2 3.46Å; I27-I57 VanDerWaalsContact CD1-CG2 3.46Å; I27-I57 HydrophobicContact CG2-CD1 3.89Å; I27-I57 HydrophobicContact CG2-CG1 4.38Å; I27-H62 HydrophobicContact CD1-CB 3.85Å; I27-A128 HydrophobicContact CD1-CB 3.63Å; I27-A128 HydrophobicContact CG1-CB 4.18Å; I27-I129 PolarHBondContact N-O 3.03Å; I27-C130 WeakPolarHBondContact O-CA 3.43Å; I27-V131 PolarHBondContact O-N 3.43Å
28P98.9Very high98.1Very high0 Ų031.2 Ų31.20%016%0.163CC..EExtended strand (participates in β ladder)trans-83.9129.2-178.435.4-35.8000111F17 G18 E19 T140 I144 F163 R167F17-P28 CarbonylContact C-O 3.33Å; F17-P28 WeakPolarHBondContact CA-O 3.43Å; G18-P28 PolarHBondContact N-O 3.23Å; E19-P28 WeakPolarHBondContact O-CD 3.45Å; P28-T140 HydrophobicContact CB-CG2 3.52Å; P28-I144 HydrophobicContact CB-CD1 4.16Å; P28-F163 HydrophobicContact CB-CE2 3.61Å; P28-F163 HydrophobicContact CB-CZ 4.23Å; P28-F163 HydrophobicContact CG-CE2 4.08Å; P28-R167 HydrophobicContact CG-CB 3.98Å; P28-R167 HydrophobicContact CG-CG 4.44Å
29S98.9Very high98Very high0 Ų034.8 Ų34.80%019%0.186CC..EExtended strand (participates in β ladder)trans-131151.5-174.9177.40000112.4A16 Y48 C130 V131 H132 G136A16-S29 PolarHBondContact O-OG 3.44Å; A16-S29 VanDerWaalsContact O-OG 3.09Å; S29-Y48 WeakPolarHBondContact OG-CE1 3.43Å; S29-Y48 PolarHBondContact OG-OH 3.34Å; S29-C130 WeakPolarHBondContact CB-SG 3.18Å; S29-V131 PolarHBondContact N-O 2.98Å; S29-H132 WeakPolarHBondContact O-CA 3.35Å; S29-H132 WeakPolarHBondContact O-CB 3.44Å; S29-G136 WeakPolarHBondContact O-CA 3.5Å
30K98.7Very high97.8Very high7 Ų733.3 Ų33.33%0.0318%0.177CC..EExtended strand (participates in β ladder)trans-71.6164.3159.776.3-173.9178.9176.80109.6W11 Y14 A16 Y48 C133 H135W11-K30 HydrophobicContact CD2-CD 4.22Å; W11-K30 HydrophobicContact CZ2-CD 4.02Å; W11-K30 HydrophobicContact CZ2-CG 4.28Å; W11-K30 PolarHBondContact O-NZ 2.66Å; Y14-K30 WeakPolarHBondContact O-CE 3.44Å; Y14-K30 PolarHBondContact O-NZ 2.69Å; A16-K30 WeakPolarHBondContact O-CG 3.35Å; A16-K30 PolarHBondContact O-N 2.9Å; K30-Y48 HydrophobicContact CG-CD1 3.98Å; K30-Y48 HydrophobicContact CG-CE1 4.06Å; K30-C133 CarbonylContact C-O 3.59Å; K30-H135 WeakPolarHBondContact CB-O 3.37Å
31T98.6Very high97.6Very high0 Ų033.1 Ų33.10%018%0.179CC..PPolyproline II helixtrans-64.4131176.5-172.60000109.2W11 L33 Y76 H132 C133 T134W11-T31 WeakPolarHBondContact CZ2-O 3.32Å; W11-T31 PolarHBondContact NE1-O 2.71Å; T31-L33 HydrophobicContact CG2-CD2 4.38Å; T31-Y76 HydrophobicContact CG2-CD2 3.68Å; T31-Y76 HydrophobicContact CG2-CE2 3.93Å; T31-Y76 HydrophobicContact CG2-CG 4.02Å; T31-Y76 WeakPolarHBondContact OG1-CD2 3Å; T31-H132 WeakPolarHBondContact CA-ND1 3.35Å; T31-C133 WeakPolarHBondContact CB-O 3.27Å; T31-C133 PolarHBondContact N-O 2.89Å; T31-T134 PolarHBondContact N-O 2.65Å
32P98.6Very high97.3Very high0 Ų045.1 Ų45.10%022%0.224CC..PPolyproline II helixtrans-65.2166.2163.929.8-33.1000109.5Y48 T49 P50 L53 Y77P32-Y48 CarbonylContact C-O 3.51Å; P32-Y48 VanDerWaalsContact CA-O 3.23Å; P32-Y48 WeakPolarHBondContact CA-O 3.41Å; P32-Y48 HydrophobicContact CB-CD1 4.18Å; P32-Y48 HydrophobicContact CB-CE1 4.23Å; P32-Y48 WeakPolarHBondContact CB-O 3.39Å; P32-T49 VanDerWaalsContact CB-C 3.48Å; P32-P50 HydrophobicContact CB-CG 4.03Å; P32-P50 HydrophobicContact CG-CB 4.41Å; P32-P50 HydrophobicContact CG-CG 3.98Å; P32-L53 HydrophobicContact CB-CD1 4.43Å; P32-L53 HydrophobicContact CG-CD1 3.86Å; P32-Y77 HydrophobicContact CG-CD1 3.82Å; P32-Y77 HydrophobicContact CG-CE1 3.68Å; P32-Y77 HydrophobicContact CG-CG 4.45Å; P32-Y77 VanDerWaalsContact O-CD1 3.25Å; P32-Y77 WeakPolarHBondContact O-CD1 3.37Å
33L98.5Very high97.1Very high0 Ų044 Ų440%022%0.218CC..  trans-124.5146.8178.1-63.1179.4000109.5I7 W11 T31 L37 Y48 T49 Y76I7-L33 HydrophobicContact CD1-CD1 4.46Å; I7-L33 HydrophobicContact CG1-CD1 4.33Å; I7-L33 HydrophobicContact CG2-CD1 4.22Å; W11-L33 HydrophobicContact CD2-CD1 3.89Å; W11-L33 HydrophobicContact CD2-CG 4.45Å; W11-L33 HydrophobicContact CE3-CD1 4.01Å; W11-L33 HydrophobicContact CH2-CD1 3.76Å; W11-L33 HydrophobicContact CH2-CG 4.15Å; W11-L33 HydrophobicContact CZ2-CD1 3.63Å; W11-L33 HydrophobicContact CZ2-CG 3.6Å; W11-L33 HydrophobicContact CZ3-CD1 3.97Å; T31-L33 HydrophobicContact CG2-CD2 4.38Å; L33-L37 HydrophobicContact CB-CB 3.95Å; L33-L37 HydrophobicContact CD1-CB 4.4Å; L33-L37 HydrophobicContact CD2-CD1 4.02Å; L33-Y48 PolarHBondContact N-O 3.34Å; L33-T49 VanDerWaalsContact O-CA 3.29Å; L33-T49 WeakPolarHBondContact O-CA 3.2Å; L33-Y76 HydrophobicContact CD2-CD1 3.81Å; L33-Y76 HydrophobicContact CD2-CG 4.18Å
34S97.9Very high97Very high27 Ų2747 Ų4719%0.18923%0.227CC..  trans-59.4155.7169.451.20000110.9R36 L37 C38 Y76S34-R36 PolarHBondContact O-N 3.4Å; S34-R36 VanDerWaalsContact O-N 3.13Å; S34-L37 WeakPolarHBondContact O-CA 3.44Å; S34-L37 PolarHBondContact O-N 3.32Å; S34-C38 PolarHBondContact O-N 3.19Å; S34-Y76 WeakPolarHBondContact CB-O 3.3Å; S34-Y76 PolarHBondContact N-O 2.79Å; S34-Y76 PolarHBondContact OG-O 3.31Å; S34-Y76 VanDerWaalsContact OG-O 3.08Å
35E97.1Very high96.8Very high120 Ų12051.1 Ų51.156%0.56126%0.261SS*.Hα-helixtrans-50.4-40.5174.9-65.1-65.5174.900112.4L37 C38 S39 T49E35-L37 VanDerWaalsContact C-N 3.28Å; E35-L37 PolarHBondContact O-N 2.76Å; E35-C38 PolarHBondContact O-N 3.07Å; E35-S39 PolarHBondContact O-N 2.85Å; E35-T49 HydrophobicContact CG-CG2 4.48Å; E35-T49 WeakPolarHBondContact OE1-CG2 3.34Å
36R97.1Very high96.6Very high176 Ų17654.2 Ų54.266%0.66428%0.277SS*.Hα-helixtrans-62.1-31.6176.6-173.2-174.569.5162.9-3.3113.7S34 S39S34-R36 PolarHBondContact O-N 3.4Å; S34-R36 VanDerWaalsContact O-N 3.13Å; R36-S39 PolarHBondContact O-OG 2.78Å; R36-S39 VanDerWaalsContact O-OG 3.05Å
37L97.3Very high96.6Very high5 Ų556.9 Ų56.93%0.02629%0.29CS..Hα-helixtrans-85.6-39.7176-71.5-174.9000110.9P6 I7 L33 S34 E35 S39 K40 Y76P6-L37 HydrophobicContact CB-CD2 3.64Å; I7-L37 WeakPolarHBondContact CD1-O 3.41Å; L33-L37 HydrophobicContact CB-CB 3.95Å; L33-L37 HydrophobicContact CD1-CB 4.4Å; L33-L37 HydrophobicContact CD2-CD1 4.02Å; S34-L37 WeakPolarHBondContact O-CA 3.44Å; S34-L37 PolarHBondContact O-N 3.32Å; E35-L37 VanDerWaalsContact C-N 3.28Å; E35-L37 PolarHBondContact O-N 2.76Å; L37-S39 VanDerWaalsContact C-N 3.26Å; L37-S39 PolarHBondContact O-N 3.25Å; L37-K40 HydrophobicContact CD2-CD 4.41Å; L37-K40 WeakPolarHBondContact O-CB 3.11Å; L37-K40 PolarHBondContact O-N 3.45Å; L37-Y76 HydrophobicContact CD1-CD1 4.33Å; L37-Y76 WeakPolarHBondContact CD1-O 3.12Å
38C97.3Very high96.6Very high0 Ų057.1 Ų57.10%029%0.291CS..Hα-helixtrans-55.5-41.5172.8-78.60000111.8S34 E35 K40 L41 H47S34-C38 PolarHBondContact O-N 3.19Å; E35-C38 PolarHBondContact O-N 3.07Å; C38-K40 PolarHBondContact O-N 2.91Å; C38-L41 WeakPolarHBondContact O-CB 3.42Å; C38-L41 WeakPolarHBondContact O-CG 3.4Å; C38-L41 PolarHBondContact O-N 3.34Å; C38-H47 HydrophobicContact CB-CB 4.31Å; C38-H47 PolarHBondContact O-NE2 3.43Å; C38-H47 VanDerWaalsContact O-NE2 3.15Å
39S96Very high96.5Very high84 Ų8457.3 Ų57.359%0.58729%0.291SS*.THydrogen-bonded Turntrans-62.6-9.1177.871.10000115.2E35 R36 L37E35-S39 PolarHBondContact O-N 2.85Å; R36-S39 PolarHBondContact O-OG 2.78Å; R36-S39 VanDerWaalsContact O-OG 3.05Å; L37-S39 VanDerWaalsContact C-N 3.26Å; L37-S39 PolarHBondContact O-N 3.25Å
40K95.4Very high96.5Very high115 Ų11557.5 Ų57.550%0.529%0.293SS..THydrogen-bonded Turntrans-93.3-4.9173.1-57.4179-178.9-175.80113P6 I7 L37 C38P6-K40 HydrophobicContact CB-CD 3.9Å; P6-K40 HydrophobicContact CG-CD 4.2Å; I7-K40 HydrophobicContact CD1-CB 4.03Å; L37-K40 HydrophobicContact CD2-CD 4.41Å; L37-K40 WeakPolarHBondContact O-CB 3.11Å; L37-K40 PolarHBondContact O-N 3.45Å; C38-K40 PolarHBondContact O-N 2.91Å
41L94.3Very high96.5Very high29 Ų2959.9 Ų59.915%0.15230%0.304CS..SBendtrans-75.7156.4173.4-65.5166.6000110.2I7 W11 C38 S43 L46I7-L41 HydrophobicContact CD1-CD2 3.51Å; I7-L41 HydrophobicContact CD1-CG 3.73Å; I7-L41 HydrophobicContact CG2-CD2 4.48Å; W11-L41 HydrophobicContact CE3-CD2 4.19Å; W11-L41 HydrophobicContact CH2-CD1 4.25Å; W11-L41 HydrophobicContact CZ3-CD1 3.72Å; W11-L41 HydrophobicContact CZ3-CD2 4.09Å; C38-L41 WeakPolarHBondContact O-CB 3.42Å; C38-L41 WeakPolarHBondContact O-CG 3.4Å; C38-L41 PolarHBondContact O-N 3.34Å; L41-S43 VanDerWaalsContact C-N 3.27Å; L41-S43 PolarHBondContact O-N 3.41Å; L41-L46 HydrophobicContact CD1-CB 4.04Å; L41-L46 WeakPolarHBondContact CD1-O 3.44Å
42R91.1Very high96.5Very high253 Ų25361.8 Ų61.896%0.95531%0.314SS*.SBendtrans-73-18.2-178-62.8-178.5-174.6155.9-0.3113.9
43S93.3Very high96.5Very high53 Ų5361.8 Ų61.837%0.37131%0.314SS..  trans-150.4140.9-175.2176.50000110.9L41 A45 L46L41-S43 VanDerWaalsContact C-N 3.27Å; L41-S43 PolarHBondContact O-N 3.41Å; S43-A45 PolarHBondContact O-N 3.31Å; S43-A45 PolarHBondContact OG-N 2.97Å; S43-L46 WeakPolarHBondContact O-CB 3.49Å; S43-L46 PolarHBondContact O-N 3.11Å; S43-L46 VanDerWaalsContact O-N 3.12Å
44T93.3Very high96.5Very high112 Ų11261.8 Ų61.869%0.68731%0.314SS*.G310 helixtrans-63.9-25.1174.351.40000112.6L46 H47T44-L46 PolarHBondContact O-N 2.95Å; T44-L46 VanDerWaalsContact O-N 3.14Å; T44-H47 VanDerWaalsContact O-CB 3.25Å; T44-H47 WeakPolarHBondContact O-CB 3.38Å; T44-H47 PolarHBondContact O-N 3.42Å
45A94.3Very high96.5Very high91 Ų9164.1 Ų64.175%0.75232%0.322SS*.G310 helixtrans-63.7-16.2174.100000113.5S43S43-A45 PolarHBondContact O-N 3.31Å; S43-A45 PolarHBondContact OG-N 2.97Å
46L95Very high96.6Very high65 Ų6561.6 Ų61.634%0.3431%0.31SS..G310 helixtrans-95.6-2.6175.5-61.6174000112.8W11 A12 L41 S43 T44 Y48W11-L46 WeakPolarHBondContact CZ3-O 3.29Å; A12-L46 HydrophobicContact CB-CD1 4.2Å; L41-L46 HydrophobicContact CD1-CB 4.04Å; L41-L46 WeakPolarHBondContact CD1-O 3.44Å; S43-L46 WeakPolarHBondContact O-CB 3.49Å; S43-L46 PolarHBondContact O-N 3.11Å; S43-L46 VanDerWaalsContact O-N 3.12Å; T44-L46 PolarHBondContact O-N 2.95Å; T44-L46 VanDerWaalsContact O-N 3.14Å; L46-Y48 PolarHBondContact O-N 2.93Å
47H97.5Very high96.6Very high57 Ų5753.2 Ų53.226%0.26428%0.279SS..  trans-63.1130.9178.6-75.3-155.3000109.6C38 T44C38-H47 HydrophobicContact CB-CB 4.31Å; C38-H47 PolarHBondContact O-NE2 3.43Å; C38-H47 VanDerWaalsContact O-NE2 3.15Å; T44-H47 VanDerWaalsContact O-CB 3.25Å; T44-H47 WeakPolarHBondContact O-CB 3.38Å; T44-H47 PolarHBondContact O-N 3.42Å
48Y98.6Very high96.7Very high6 Ų658.9 Ų58.92%0.02430%0.3CS..  trans-14690.5176.4-177.3-125.7000108.2W11 A16 F17 S29 K30 P32 L33 L46 N52 L53W11-Y48 HydrophobicContact CZ2-CD1 4.17Å; A16-Y48 HydrophobicContact CB-CD1 4.17Å; A16-Y48 HydrophobicContact CB-CD2 3.66Å; A16-Y48 HydrophobicContact CB-CE1 4.15Å; A16-Y48 HydrophobicContact CB-CE2 3.66Å; A16-Y48 HydrophobicContact CB-CG 3.92Å; F17-Y48 HydrophobicContact CD1-CE2 4.31Å; S29-Y48 WeakPolarHBondContact OG-CE1 3.43Å; S29-Y48 PolarHBondContact OG-OH 3.34Å; K30-Y48 HydrophobicContact CG-CD1 3.98Å; K30-Y48 HydrophobicContact CG-CE1 4.06Å; P32-Y48 CarbonylContact C-O 3.51Å; P32-Y48 VanDerWaalsContact CA-O 3.23Å; P32-Y48 WeakPolarHBondContact CA-O 3.41Å; P32-Y48 HydrophobicContact CB-CD1 4.18Å; P32-Y48 HydrophobicContact CB-CE1 4.23Å; P32-Y48 WeakPolarHBondContact CB-O 3.39Å; L33-Y48 PolarHBondContact N-O 3.34Å; L46-Y48 PolarHBondContact O-N 2.93Å; Y48-N52 HydrophobicContact CD2-CB 3.99Å; Y48-N52 HydrophobicContact CE2-CB 4.48Å; Y48-L53 HydrophobicContact CE2-CB 3.88Å; Y48-L53 VanDerWaalsContact OH-CG 3.3Å; Y48-L53 WeakPolarHBondContact OH-CG 3.35Å
49T98.4Very high96.7Very high3 Ų365.9 Ų65.92%0.01833%0.33CS..  trans-93.8168.6179.970.30000110.8P32 L33 E35 Q51 N52 L53P32-T49 VanDerWaalsContact CB-C 3.48Å; L33-T49 VanDerWaalsContact O-CA 3.29Å; L33-T49 WeakPolarHBondContact O-CA 3.2Å; E35-T49 HydrophobicContact CG-CG2 4.48Å; E35-T49 WeakPolarHBondContact OE1-CG2 3.34Å; T49-Q51 PolarHBondContact O-N 3.48Å; T49-Q51 PolarHBondContact OG1-N 3.36Å; T49-N52 PolarHBondContact N-OD1 3.46Å; T49-N52 PolarHBondContact O-N 2.86Å; T49-N52 VanDerWaalsContact O-N 3.08Å; T49-N52 PolarHBondContact OG1-N 3.15Å; T49-N52 PolarHBondContact OG1-OD1 3.17Å; T49-N52 VanDerWaalsContact OG1-OD1 3.06Å; T49-L53 PolarHBondContact O-N 3.44Å
50P98.7Very high96.8Very high4 Ų465.4 Ų65.43%0.02632%0.324CS..Hα-helixtrans-59.3-30.4173.6-26.236.8000112.9P32 L53 V54 Y77 I81 F82P32-P50 HydrophobicContact CB-CG 4.03Å; P32-P50 HydrophobicContact CG-CB 4.41Å; P32-P50 HydrophobicContact CG-CG 3.98Å; P50-L53 WeakPolarHBondContact O-CB 3.18Å; P50-L53 PolarHBondContact O-N 2.81Å; P50-V54 PolarHBondContact O-N 3.44Å; P50-Y77 HydrophobicContact CG-CD1 4.41Å; P50-Y77 HydrophobicContact CG-CD2 3.79Å; P50-Y77 HydrophobicContact CG-CG 3.7Å; P50-I81 HydrophobicContact CB-CB 4.38Å; P50-I81 HydrophobicContact CB-CD1 3.95Å; P50-I81 HydrophobicContact CB-CG1 4.2Å; P50-I81 HydrophobicContact CB-CG2 3.35Å; P50-I81 HydrophobicContact CG-CD1 4.36Å; P50-I81 HydrophobicContact CG-CG2 3.76Å; P50-F82 HydrophobicContact CB-CE1 3.82Å; P50-F82 HydrophobicContact CB-CE2 4.34Å; P50-F82 HydrophobicContact CB-CZ 3.7Å; P50-F82 HydrophobicContact CG-CZ 4.48Å
51Q98.4Very high96.9Very high58 Ų5861.8 Ų61.827%0.27132%0.32SS..Hα-helixtrans-62.8-50.7170.9-168.970.231.900110.7T49 L53 V54 E55T49-Q51 PolarHBondContact O-N 3.48Å; T49-Q51 PolarHBondContact OG1-N 3.36Å; Q51-L53 VanDerWaalsContact C-N 3.26Å; Q51-L53 PolarHBondContact O-N 2.82Å; Q51-V54 PolarHBondContact O-N 3.44Å; Q51-E55 HydrophobicContact CG-CG 4.32Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.38Å; Q51-E55 PolarHBondContact NE2-OE1 3.18Å; Q51-E55 WeakPolarHBondContact O-CB 3.21Å; Q51-E55 WeakPolarHBondContact O-CG 3.18Å; Q51-E55 PolarHBondContact O-N 2.98Å
52N98.2Very high97.1Very high39 Ų3962.3 Ų62.321%0.20932%0.321CS..Hα-helixtrans-60.2-37.9177.7-56.2136.8000111.6Y48 T49 V54 E55 E56Y48-N52 HydrophobicContact CD2-CB 3.99Å; Y48-N52 HydrophobicContact CE2-CB 4.48Å; T49-N52 PolarHBondContact N-OD1 3.46Å; T49-N52 PolarHBondContact O-N 2.86Å; T49-N52 VanDerWaalsContact O-N 3.08Å; T49-N52 PolarHBondContact OG1-N 3.15Å; T49-N52 PolarHBondContact OG1-OD1 3.17Å; T49-N52 VanDerWaalsContact OG1-OD1 3.06Å; N52-V54 PolarHBondContact O-N 2.89Å; N52-E55 PolarHBondContact O-N 3.09Å; N52-E56 HydrophobicContact CB-CG 4.37Å; N52-E56 WeakPolarHBondContact O-CB 3.45Å; N52-E56 WeakPolarHBondContact O-CG 3.41Å; N52-E56 PolarHBondContact O-N 2.62Å
53L98.7Very high97.4Very high0 Ų052.2 Ų52.20%029%0.286CS..Hα-helixtrans-54.5-51.8175.3-179158000111.3P32 Y48 T49 P50 Q51 I57 V64 V67 F82 C130P32-L53 HydrophobicContact CB-CD1 4.43Å; P32-L53 HydrophobicContact CG-CD1 3.86Å; Y48-L53 HydrophobicContact CE2-CB 3.88Å; Y48-L53 VanDerWaalsContact OH-CG 3.3Å; Y48-L53 WeakPolarHBondContact OH-CG 3.35Å; T49-L53 PolarHBondContact O-N 3.44Å; P50-L53 WeakPolarHBondContact O-CB 3.18Å; P50-L53 PolarHBondContact O-N 2.81Å; Q51-L53 VanDerWaalsContact C-N 3.26Å; Q51-L53 PolarHBondContact O-N 2.82Å; L53-I57 HydrophobicContact CD2-CD1 4.11Å; L53-I57 HydrophobicContact CG-CD1 4.24Å; L53-I57 WeakPolarHBondContact O-CB 3.49Å; L53-I57 WeakPolarHBondContact O-CD1 3.38Å; L53-I57 WeakPolarHBondContact O-CG1 3.47Å; L53-I57 PolarHBondContact O-N 2.81Å; L53-V64 HydrophobicContact CD2-CG1 4.37Å; L53-V64 HydrophobicContact CD2-CG2 4.35Å; L53-V67 HydrophobicContact CD2-CG2 4.07Å; L53-F82 HydrophobicContact CD2-CE1 4.29Å; L53-C130 HydrophobicContact CD2-CB 4.15Å
54V98.7Very high97.7Very high1 Ų149.7 Ų49.71%0.00627%0.268CS..Hα-helixtrans-70.7-43.7-177.9177.20000111.3P50 Q51 N52 R58 F82 L85 V87P50-V54 PolarHBondContact O-N 3.44Å; Q51-V54 PolarHBondContact O-N 3.44Å; N52-V54 PolarHBondContact O-N 2.89Å; V54-R58 WeakPolarHBondContact O-CB 3.34Å; V54-R58 PolarHBondContact O-N 2.94Å; V54-F82 HydrophobicContact CG2-CD1 4.25Å; V54-F82 HydrophobicContact CG2-CE1 4.14Å; V54-L85 HydrophobicContact CB-CD1 4.2Å; V54-L85 HydrophobicContact CG2-CD1 3.88Å; V54-V87 HydrophobicContact CG1-CG2 4.46Å; V54-V87 HydrophobicContact CG2-CG2 4.11Å
55E98.3Very high97.9Very high76 Ų7646.4 Ų46.436%0.35525%0.245SC..Hα-helixtrans-71.8-43.7-175.8-70.5178167.300113.4Q51 N52 R58 K59Q51-E55 HydrophobicContact CG-CG 4.32Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.38Å; Q51-E55 PolarHBondContact NE2-OE1 3.18Å; Q51-E55 WeakPolarHBondContact O-CB 3.21Å; Q51-E55 WeakPolarHBondContact O-CG 3.18Å; Q51-E55 PolarHBondContact O-N 2.98Å; N52-E55 PolarHBondContact O-N 3.09Å; E55-R58 WeakPolarHBondContact O-CB 3.24Å; E55-R58 PolarHBondContact O-N 2.76Å; E55-K59 WeakPolarHBondContact O-CG 3.38Å; E55-K59 PolarHBondContact O-N 2.97Å; E55-K59 VanDerWaalsContact O-N 3.08Å
56E98.4Very high98.2Very high67 Ų6742.6 Ų42.631%0.31321%0.211SC..Hα-helixtrans-70-35.5-179.9-61.5-52.8133.400111.5F17 N52 K59F17-E56 HydrophobicContact CE1-CB 3.63Å; F17-E56 HydrophobicContact CZ-CB 4.01Å; N52-E56 HydrophobicContact CB-CG 4.37Å; N52-E56 WeakPolarHBondContact O-CB 3.45Å; N52-E56 WeakPolarHBondContact O-CG 3.41Å; N52-E56 PolarHBondContact O-N 2.62Å; E56-K59 VanDerWaalsContact CD-NZ 3.27Å; E56-K59 WeakPolarHBondContact O-CB 3.31Å; E56-K59 PolarHBondContact O-N 2.94Å; E56-K59 IonicContact OE1-NZ 2.85Å; E56-K59 PolarHBondContact OE1-NZ 2.94Å; E56-K59 WeakPolarHBondContact OE2-CD 3.27Å; E56-K59 IonicContact OE2-NZ 3.68Å; E56-K59 PolarHBondContact OE2-NZ 3.19Å; E56-K59 VanDerWaalsContact OE2-NZ 3.16Å
57I98.6Very high98.3Very high0 Ų039.5 Ų39.50%020%0.195CC..Hα-helixtrans-67-38.4171.6-68.6172000110.8F17 I27 L53 K59 T60 H62 V64 C130F17-I57 HydrophobicContact CD1-CG1 4.16Å; F17-I57 HydrophobicContact CD2-CD1 4.32Å; F17-I57 HydrophobicContact CD2-CG1 3.67Å; F17-I57 HydrophobicContact CE1-CG1 4.21Å; F17-I57 HydrophobicContact CE2-CG1 3.73Å; F17-I57 HydrophobicContact CG-CD1 4.3Å; F17-I57 HydrophobicContact CG-CG1 3.92Å; F17-I57 HydrophobicContact CZ-CG1 4.01Å; I27-I57 HydrophobicContact CD1-CG2 3.46Å; I27-I57 VanDerWaalsContact CD1-CG2 3.46Å; I27-I57 HydrophobicContact CG2-CD1 3.89Å; I27-I57 HydrophobicContact CG2-CG1 4.38Å; L53-I57 HydrophobicContact CD2-CD1 4.11Å; L53-I57 HydrophobicContact CG-CD1 4.24Å; L53-I57 WeakPolarHBondContact O-CB 3.49Å; L53-I57 WeakPolarHBondContact O-CD1 3.38Å; L53-I57 WeakPolarHBondContact O-CG1 3.47Å; L53-I57 PolarHBondContact O-N 2.81Å; I57-K59 PolarHBondContact O-N 3.07Å; I57-T60 PolarHBondContact O-N 3.4Å; I57-T60 PolarHBondContact O-OG1 2.9Å; I57-H62 CarbonylContact C-O 3.48Å; I57-H62 HydrophobicContact CG2-CB 3.81Å; I57-H62 PolarHBondContact O-N 3.01Å; I57-V64 HydrophobicContact CB-CG2 3.78Å; I57-V64 HydrophobicContact CD1-CG2 3.7Å; I57-V64 HydrophobicContact CG1-CG2 4.33Å; I57-V64 HydrophobicContact CG2-CG2 3.49Å; I57-V64 VanDerWaalsContact CG2-CG2 3.49Å; I57-C130 HydrophobicContact CD1-CB 4.31Å
58R98.3Very high98.4Very high124 Ų12436.8 Ų36.847%0.46818%0.182SC..Hα-helixtrans-59-36.8174.3-175.4172.2-72.6129.21.5112.7V54 E55 T60 G61 H62 N63V54-R58 WeakPolarHBondContact O-CB 3.34Å; V54-R58 PolarHBondContact O-N 2.94Å; E55-R58 WeakPolarHBondContact O-CB 3.24Å; E55-R58 PolarHBondContact O-N 2.76Å; R58-T60 PolarHBondContact O-N 3.42Å; R58-G61 PolarHBondContact O-N 2.89Å; R58-G61 VanDerWaalsContact O-N 3.07Å; R58-H62 WeakPolarHBondContact CA-O 3.34Å; R58-H62 PolarHBondContact N-O 3.12Å; R58-N63 PolarHBondContact NH2-OD1 2.88Å
59K98.3Very high98.4Very high147 Ų14736.6 Ų36.664%0.63918%0.182SC*.Hα-helixtrans-65.2-19.7175.7-69.1168.8-176.61700113.6E55 E56 I57 G61E55-K59 WeakPolarHBondContact O-CG 3.38Å; E55-K59 PolarHBondContact O-N 2.97Å; E55-K59 VanDerWaalsContact O-N 3.08Å; E56-K59 VanDerWaalsContact CD-NZ 3.27Å; E56-K59 WeakPolarHBondContact O-CB 3.31Å; E56-K59 PolarHBondContact O-N 2.94Å; E56-K59 IonicContact OE1-NZ 2.85Å; E56-K59 PolarHBondContact OE1-NZ 2.94Å; E56-K59 WeakPolarHBondContact OE2-CD 3.27Å; E56-K59 IonicContact OE2-NZ 3.68Å; E56-K59 PolarHBondContact OE2-NZ 3.19Å; E56-K59 VanDerWaalsContact OE2-NZ 3.16Å; I57-K59 PolarHBondContact O-N 3.07Å; K59-G61 VanDerWaalsContact C-N 3.3Å
60T97.6Very high98.4Very high73 Ų7336.6 Ų36.645%0.44818%0.182SC..THydrogen-bonded Turntrans-89.78.5174.176.10000113.1F17 I57 R58 H62F17-T60 HydrophobicContact CE2-CG2 4.05Å; F17-T60 HydrophobicContact CZ-CG2 4.18Å; I57-T60 PolarHBondContact O-N 3.4Å; I57-T60 PolarHBondContact O-OG1 2.9Å; R58-T60 PolarHBondContact O-N 3.42Å; T60-H62 PolarHBondContact OG1-CD2 3.39Å
61G97.6Very high98.4Very high40 Ų4036.5 Ų36.541%0.41218%0.181SC..THydrogen-bonded Turntrans83.819.1179.200000114.4R58 K59R58-G61 PolarHBondContact O-N 2.89Å; R58-G61 VanDerWaalsContact O-N 3.07Å; K59-G61 VanDerWaalsContact C-N 3.3Å
62H98.1Very high98.3Very high40 Ų4036.7 Ų36.719%0.18519%0.192CC..  trans-120.9138.6177.6-59.4-40000111.6R20 I27 I57 R58 T60 E126 A128R20-H62 WeakPolarHBondContact CB-NE2 3.36Å; I27-H62 HydrophobicContact CD1-CB 3.85Å; I57-H62 CarbonylContact C-O 3.48Å; I57-H62 HydrophobicContact CG2-CB 3.81Å; I57-H62 PolarHBondContact O-N 3.01Å; R58-H62 WeakPolarHBondContact CA-O 3.34Å; R58-H62 PolarHBondContact N-O 3.12Å; T60-H62 PolarHBondContact OG1-CD2 3.39Å; H62-E126 CarbonylContact C-O 3.56Å; H62-E126 WeakPolarHBondContact CA-O 3.19Å; H62-A128 HydrophobicContact CB-CB 4.28Å
63N98Very high98.2Very high40 Ų4036.6 Ų36.621%0.21419%0.193CC..EExtended strand (participates in β ladder)trans-102.6105.7178.6-16311.9000109.6R58 K65 E126 A127 A128R58-N63 PolarHBondContact NH2-OD1 2.88Å; N63-K65 VanDerWaalsContact ND2-CE 3.33Å; N63-K65 WeakPolarHBondContact ND2-CE 3.27Å; N63-K65 PolarHBondContact ND2-NZ 3.16Å; N63-K65 PolarHBondContact O-N 3.36Å; N63-K65 VanDerWaalsContact O-N 3.1Å; N63-E126 PolarHBondContact N-O 3.08Å; N63-A127 WeakPolarHBondContact O-CA 3.24Å; N63-A128 PolarHBondContact O-N 2.65Å
64V98.6Very high98.1Very high1 Ų141.2 Ų41.21%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-63.2117.1174.2-176.60000108.6L53 I57 V67 V87 C130L53-V64 HydrophobicContact CD2-CG1 4.37Å; L53-V64 HydrophobicContact CD2-CG2 4.35Å; I57-V64 HydrophobicContact CB-CG2 3.78Å; I57-V64 HydrophobicContact CD1-CG2 3.7Å; I57-V64 HydrophobicContact CG1-CG2 4.33Å; I57-V64 HydrophobicContact CG2-CG2 3.49Å; I57-V64 VanDerWaalsContact CG2-CG2 3.49Å; V64-V67 HydrophobicContact CG1-CG2 3.83Å; V64-V87 HydrophobicContact CG1-CG1 3.94Å; V64-V87 WeakPolarHBondContact O-CG2 3.33Å; V64-C130 HydrophobicContact CG1-CB 4Å; V64-C130 HydrophobicContact CG2-CB 4.46Å
65K98.6Very high97.9Very high43 Ų4345.2 Ų45.219%0.18723%0.233CC..EExtended strand (participates in β ladder)trans-108.2-26.5179-72.7-52.4-165.9169.90111.9N63 D88 F115 W119 A127 A128N63-K65 VanDerWaalsContact ND2-CE 3.33Å; N63-K65 WeakPolarHBondContact ND2-CE 3.27Å; N63-K65 PolarHBondContact ND2-NZ 3.16Å; N63-K65 PolarHBondContact O-N 3.36Å; N63-K65 VanDerWaalsContact O-N 3.1Å; K65-D88 PolarHBondContact O-N 3.3Å; K65-F115 HydrophobicContact CB-CE2 3.53Å; K65-F115 HydrophobicContact CB-CZ 4.09Å; K65-W119 HydrophobicContact CB-CD2 4.48Å; K65-W119 HydrophobicContact CB-CZ2 4.2Å; K65-W119 HydrophobicContact CD-CD2 4.38Å; K65-W119 HydrophobicContact CD-CE3 4.36Å; K65-W119 HydrophobicContact CD-CH2 3.68Å; K65-W119 HydrophobicContact CD-CZ2 3.63Å; K65-W119 HydrophobicContact CD-CZ3 4.04Å; K65-W119 HydrophobicContact CG-CD2 4.15Å; K65-W119 HydrophobicContact CG-CE3 4.46Å; K65-W119 HydrophobicContact CG-CH2 4.45Å; K65-W119 HydrophobicContact CG-CZ2 4.09Å; K65-W119 VanDerWaalsContact NZ-CH2 3.33Å; K65-A127 HydrophobicContact CG-CB 3.81Å; K65-A128 PolarHBondContact N-O 2.82Å
66M98.8Very high97.9Very high10 Ų1042.2 Ų42.25%0.04922%0.219CC..EExtended strand (participates in β ladder)trans-139.3143.5175.2-178.5-178.3-74.400111.2I68 D88 V90 H111 F115 A128 I129 C130M66-I68 HydrophobicContact CG-CG1 4.18Å; M66-I68 HydrophobicContact SD-CD1 4.12Å; M66-I68 HydrophobicContact SD-CG1 3.98Å; M66-D88 CarbonylContact C-O 3.59Å; M66-D88 VanDerWaalsContact CA-O 3.27Å; M66-D88 WeakPolarHBondContact CA-O 3.18Å; M66-D88 HydrophobicContact CB-CB 4.25Å; M66-D88 HydrophobicContact CE-CB 4.3Å; M66-D88 HydrophobicContact CG-CB 4.22Å; M66-V90 HydrophobicContact CE-CG2 4.38Å; M66-V90 HydrophobicContact CG-CG2 4.37Å; M66-V90 HydrophobicContact SD-CG2 4.09Å; M66-H111 HydrophobicContact SD-CB 4.44Å; M66-F115 HydrophobicContact CB-CD2 3.79Å; M66-F115 HydrophobicContact CB-CE2 4.03Å; M66-F115 HydrophobicContact CE-CB 3.88Å; M66-F115 HydrophobicContact CE-CD2 4.09Å; M66-F115 HydrophobicContact CE-CG 4.5Å; M66-F115 HydrophobicContact SD-CB 4.3Å; M66-F115 HydrophobicContact SD-CD2 4.37Å; M66-A128 PolarHBondContact N-O 3Å; M66-I129 HydrophobicContact CB-CG1 4.32Å; M66-I129 HydrophobicContact CB-CG2 4.44Å; M66-I129 HydrophobicContact CG-CG2 4.46Å; M66-I129 WeakPolarHBondContact O-CA 3.46Å; M66-C130 PolarHBondContact O-N 3.18Å
67V98.9Very high97.9Very high0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-116.9123.6168.5172.10000109.5L53 V64 F82 V87 D88 Y89 V90 C130L53-V67 HydrophobicContact CD2-CG2 4.07Å; V64-V67 HydrophobicContact CG1-CG2 3.83Å; V67-F82 HydrophobicContact CB-CD2 4.47Å; V67-F82 HydrophobicContact CB-CE1 4.41Å; V67-F82 HydrophobicContact CB-CE2 4.21Å; V67-F82 HydrophobicContact CB-CZ 4.18Å; V67-F82 HydrophobicContact CG1-CE2 3.86Å; V67-F82 HydrophobicContact CG1-CZ 3.88Å; V67-F82 HydrophobicContact CG2-CD1 4.01Å; V67-F82 HydrophobicContact CG2-CE1 3.67Å; V67-F82 HydrophobicContact CG2-CE2 4.33Å; V67-F82 HydrophobicContact CG2-CZ 3.83Å; V67-V87 HydrophobicContact CB-CG1 4.45Å; V67-V87 HydrophobicContact CG2-CG1 3.82Å; V67-D88 PolarHBondContact N-O 2.83Å; V67-Y89 HydrophobicContact CB-CD2 4.34Å; V67-Y89 HydrophobicContact CG1-CD2 4.18Å; V67-Y89 HydrophobicContact CG1-CE2 4.44Å; V67-V90 PolarHBondContact O-N 3.44Å; V67-C130 CarbonylContact C-O 3.41Å; V67-C130 WeakPolarHBondContact CA-O 3.37Å; V67-C130 HydrophobicContact CG2-CB 4.16Å
68I98.9Very high97.8Very high0 Ų043.9 Ų43.90%023%0.229CC..EExtended strand (participates in β ladder)trans-105.6111.7173.1-55.7179000109.2M66 L70 V90 I92 F108 V112 I129 C130 V131 H132M66-I68 HydrophobicContact CG-CG1 4.18Å; M66-I68 HydrophobicContact SD-CD1 4.12Å; M66-I68 HydrophobicContact SD-CG1 3.98Å; I68-L70 HydrophobicContact CG2-CD2 3.83Å; I68-L70 HydrophobicContact CG2-CG 4.41Å; I68-V90 HydrophobicContact CG1-CB 4.23Å; I68-V90 HydrophobicContact CG2-CG1 4.37Å; I68-I92 HydrophobicContact CG2-CD1 4.05Å; I68-I92 HydrophobicContact CG2-CG1 4.31Å; I68-F108 HydrophobicContact CB-CE2 4.49Å; I68-F108 HydrophobicContact CD1-CD2 3.97Å; I68-F108 HydrophobicContact CD1-CE2 3.67Å; I68-F108 HydrophobicContact CD1-CZ 4.34Å; I68-F108 HydrophobicContact CG2-CD2 3.96Å; I68-F108 HydrophobicContact CG2-CE2 4.08Å; I68-V112 HydrophobicContact CD1-CG2 4.29Å; I68-I129 HydrophobicContact CD1-CG2 3.68Å; I68-I129 HydrophobicContact CG1-CG2 3.85Å; I68-C130 PolarHBondContact N-O 3.29Å; I68-V131 HydrophobicContact CB-CG1 4.44Å; I68-V131 HydrophobicContact CB-CG2 4.39Å; I68-V131 HydrophobicContact CD1-CG2 4.47Å; I68-H132 PolarHBondContact O-N 3.43Å
69N98.8Very high97.8Very high3 Ų340.3 Ų40.32%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-94.4112.4177.9-179.43.1000111T71 Y77 Y89 V90 K91 I92 H132N69-T71 PolarHBondContact ND2-OG1 3.41Å; N69-T71 VanDerWaalsContact OD1-CB 3.31Å; N69-T71 WeakPolarHBondContact OD1-CB 3.24Å; N69-T71 WeakPolarHBondContact OD1-CG2 3.35Å; N69-T71 PolarHBondContact OD1-N 3.49Å; N69-T71 PolarHBondContact OD1-OG1 3.28Å; N69-Y77 PolarHBondContact ND2-OH 3.32Å; N69-Y77 VanDerWaalsContact ND2-OH 3.14Å; N69-Y89 HydrophobicContact CB-CE2 3.72Å; N69-Y89 PolarHBondContact ND2-OH 3.1Å; N69-V90 PolarHBondContact N-O 3.47Å; N69-K91 HydrophobicContact CB-CD 3.95Å; N69-K91 PolarHBondContact ND2-NZ 2.93Å; N69-K91 VanDerWaalsContact ND2-NZ 3.12Å; N69-I92 PolarHBondContact O-N 3.47Å; N69-I92 VanDerWaalsContact O-O 3.12Å; N69-H132 WeakPolarHBondContact CB-NE2 3.33Å; N69-H132 PolarHBondContact OD1-CE1 2.93Å
70L98.7Very high97.8Very high2 Ų239.5 Ų39.51%0.0122%0.22CC..  trans-96.410179.8-54.9176.7000113.6I68 I92 V94 F108 V131 H132 C133 R139 F143I68-L70 HydrophobicContact CG2-CD2 3.83Å; I68-L70 HydrophobicContact CG2-CG 4.41Å; L70-I92 CarbonylContact C-O 3.45Å; L70-I92 VanDerWaalsContact CA-O 3.3Å; L70-I92 WeakPolarHBondContact CA-O 3.45Å; L70-I92 HydrophobicContact CD2-CB 4Å; L70-I92 HydrophobicContact CD2-CD1 4.24Å; L70-I92 HydrophobicContact CD2-CG1 4.44Å; L70-V94 HydrophobicContact CB-CG2 4.22Å; L70-V94 HydrophobicContact CD2-CG2 4.08Å; L70-F108 HydrophobicContact CD2-CD2 4.35Å; L70-V131 HydrophobicContact CD1-CG1 3.67Å; L70-V131 HydrophobicContact CG-CG1 4.15Å; L70-H132 WeakPolarHBondContact CB-O 3.14Å; L70-H132 PolarHBondContact N-O 3.42Å; L70-C133 HydrophobicContact CB-CB 4.2Å; L70-R139 HydrophobicContact CD1-CB 4.33Å; L70-F143 HydrophobicContact CD1-CB 4.07Å; L70-F143 HydrophobicContact CD1-CD2 3.87Å; L70-F143 HydrophobicContact CD1-CG 3.99Å; L70-F143 HydrophobicContact CD2-CD1 4.41Å; L70-F143 HydrophobicContact CD2-CG 4.38Å
71T97.9Very high97.8Very high3 Ų337.4 Ų37.42%0.01821%0.205CC..  trans-80.1134.7-176.662.30000111.8N69 T73 Y76 K91N69-T71 PolarHBondContact ND2-OG1 3.41Å; N69-T71 VanDerWaalsContact OD1-CB 3.31Å; N69-T71 WeakPolarHBondContact OD1-CB 3.24Å; N69-T71 WeakPolarHBondContact OD1-CG2 3.35Å; N69-T71 PolarHBondContact OD1-N 3.49Å; N69-T71 PolarHBondContact OD1-OG1 3.28Å; T71-T73 PolarHBondContact O-N 2.78Å; T71-T73 PolarHBondContact OG1-O 2.91Å; T71-T73 VanDerWaalsContact OG1-O 3.1Å; T71-Y76 HydrophobicContact CG2-CD2 4.14Å; T71-Y76 HydrophobicContact CG2-CE2 3.87Å; T71-K91 WeakPolarHBondContact O-CE 3.46Å; T71-K91 PolarHBondContact O-NZ 2.71Å; T71-K91 PolarHBondContact OG1-NZ 3.47Å
72A96.7Very high97.8Very high61 Ų6135.5 Ų35.550%0.50419%0.186SC..SBendtrans-76.140.6172.700000113.7V94A72-V94 WeakPolarHBondContact CB-O 3.33Å
73T95.6Very high97.8Very high37 Ų3737.9 Ų37.923%0.22721%0.207CC..  trans-165.3149.7178-175.30000111.5T71 R75 Y76 K91T71-T73 PolarHBondContact O-N 2.78Å; T71-T73 PolarHBondContact OG1-O 2.91Å; T71-T73 VanDerWaalsContact OG1-O 3.1Å; T73-R75 HydrophobicContact CG2-CG 3.88Å; T73-R75 VanDerWaalsContact OG1-CD 3.25Å; T73-R75 WeakPolarHBondContact OG1-CD 3.37Å; T73-R75 VanDerWaalsContact OG1-CG 3.23Å; T73-R75 WeakPolarHBondContact OG1-CG 3.49Å; T73-R75 PolarHBondContact OG1-N 3.08Å; T73-Y76 HydrophobicContact CG2-CD2 3.91Å; T73-Y76 HydrophobicContact CG2-CE1 4.42Å; T73-Y76 HydrophobicContact CG2-CE2 3.36Å; T73-K91 PolarHBondContact O-NZ 2.95Å
74D96Very high97.8Very high97 Ų9744.4 Ų44.452%0.51923%0.229SC..SBendtrans-104.113176-53.2-49.1000112.9Y76 K91 M93D74-Y76 PolarHBondContact O-N 3.31Å; D74-K91 VanDerWaalsContact OD1-CE 3.31Å; D74-K91 WeakPolarHBondContact OD1-CE 3.44Å; D74-K91 IonicContact OD1-NZ 3.09Å; D74-K91 PolarHBondContact OD1-NZ 3.41Å; D74-M93 WeakPolarHBondContact OD2-CE 3.45Å
75R95.9Very high97.7Very high86 Ų8646 Ų4633%0.32524%0.237SC..  trans-79.2-13.2-170.974.5-166.9-179.6104.5-3.8115.2K5 P6 T73K5-R75 PolarHBondContact O-NH1 3.44Å; P6-R75 PolarHBondContact O-NH1 2.97Å; T73-R75 HydrophobicContact CG2-CG 3.88Å; T73-R75 VanDerWaalsContact OG1-CD 3.25Å; T73-R75 WeakPolarHBondContact OG1-CD 3.37Å; T73-R75 VanDerWaalsContact OG1-CG 3.23Å; T73-R75 WeakPolarHBondContact OG1-CG 3.49Å; T73-R75 PolarHBondContact OG1-N 3.08Å
76Y97.5Very high97.6Very high13 Ų1350.8 Ų50.85%0.05127%0.265CS..SBendtrans-80.4-45.7-167.4-64.5-43.7000112.5P8 T31 L33 S34 L37 T71 T73 D74P8-Y76 HydrophobicContact CG-CD1 4.44Å; P8-Y76 HydrophobicContact CG-CE1 3.44Å; P8-Y76 VanDerWaalsContact CG-CE1 3.44Å; P8-Y76 WeakPolarHBondContact CG-OH 3.4Å; T31-Y76 HydrophobicContact CG2-CD2 3.68Å; T31-Y76 HydrophobicContact CG2-CE2 3.93Å; T31-Y76 HydrophobicContact CG2-CG 4.02Å; T31-Y76 WeakPolarHBondContact OG1-CD2 3Å; L33-Y76 HydrophobicContact CD2-CD1 3.81Å; L33-Y76 HydrophobicContact CD2-CG 4.18Å; S34-Y76 WeakPolarHBondContact CB-O 3.3Å; S34-Y76 PolarHBondContact N-O 2.79Å; S34-Y76 PolarHBondContact OG-O 3.31Å; S34-Y76 VanDerWaalsContact OG-O 3.08Å; L37-Y76 HydrophobicContact CD1-CD1 4.33Å; L37-Y76 WeakPolarHBondContact CD1-O 3.12Å; T71-Y76 HydrophobicContact CG2-CD2 4.14Å; T71-Y76 HydrophobicContact CG2-CE2 3.87Å; T73-Y76 HydrophobicContact CG2-CD2 3.91Å; T73-Y76 HydrophobicContact CG2-CE1 4.42Å; T73-Y76 HydrophobicContact CG2-CE2 3.36Å; D74-Y76 PolarHBondContact O-N 3.31Å
77Y98.1Very high97.6Very high16 Ų1650.6 Ų50.66%0.06326%0.264CS..  trans-157.8163.2-179.859.5-88.8000109.8P32 P50 N69 F82 Y89 H132P32-Y77 HydrophobicContact CG-CD1 3.82Å; P32-Y77 HydrophobicContact CG-CE1 3.68Å; P32-Y77 HydrophobicContact CG-CG 4.45Å; P32-Y77 VanDerWaalsContact O-CD1 3.25Å; P32-Y77 WeakPolarHBondContact O-CD1 3.37Å; P50-Y77 HydrophobicContact CG-CD1 4.41Å; P50-Y77 HydrophobicContact CG-CD2 3.79Å; P50-Y77 HydrophobicContact CG-CG 3.7Å; N69-Y77 PolarHBondContact ND2-OH 3.32Å; N69-Y77 VanDerWaalsContact ND2-OH 3.14Å; Y77-F82 HydrophobicContact CD2-CE2 4.24Å; Y77-F82 HydrophobicContact CE2-CD2 4.25Å; Y77-F82 AromaticContact CE2-CE2 3.49Å; Y77-F82 HydrophobicContact CE2-CE2 3.49Å; Y77-F82 VanDerWaalsContact CE2-CE2 3.49Å; Y77-F82 HydrophobicContact CE2-CZ 4.34Å; Y77-Y89 HydrophobicContact CE2-CE2 4.14Å; Y77-Y89 WeakPolarHBondContact OH-CE2 3.4Å; Y77-H132 AromaticContact CE1-CE1 3.88Å; Y77-H132 AromaticContact CZ-CE1 3.95Å; Y77-H132 AromaticContact CZ-NE2 3.86Å; Y77-H132 PolarHBondContact OH-CE1 3.5Å; Y77-H132 PolarHBondContact OH-NE2 3.27Å
78D97.6Very high97.6Very high86 Ų8654.2 Ų54.246%0.4628%0.283SS..  trans-84.3122.1173.3179.6-6.7000109.7E80 I81D78-E80 PolarHBondContact O-N 2.95Å; D78-E80 WeakPolarHBondContact OD1-CB 3.38Å; D78-E80 WeakPolarHBondContact OD1-CG 3.36Å; D78-E80 PolarHBondContact OD1-N 3.34Å; D78-I81 WeakPolarHBondContact O-CG2 3.4Å
79P97.6Very high97.6Very high48 Ų4857.2 Ų57.231%0.31230%0.295SS..THydrogen-bonded Turntrans-66.8-17.5-179.529-36.5000114.6I81 F82 Y89P79-I81 PolarHBondContact O-N 3.48Å; P79-F82 PolarHBondContact O-N 3.33Å; P79-Y89 HydrophobicContact CB-CD1 3.47Å; P79-Y89 VanDerWaalsContact CB-CD1 3.47Å; P79-Y89 HydrophobicContact CB-CD2 4.18Å; P79-Y89 HydrophobicContact CB-CE1 3.33Å; P79-Y89 HydrophobicContact CB-CE2 4.07Å; P79-Y89 HydrophobicContact CB-CG 3.87Å; P79-Y89 HydrophobicContact CG-CD1 4.4Å; P79-Y89 HydrophobicContact CG-CE1 4.01Å
80E97.7Very high97.5Very high131 Ų13157.7 Ų57.761%0.61230%0.298SS*.Hα-helixtrans-58.1-22.3178.8-71.7-173178.600113.3D78 F82 S83 R84D78-E80 PolarHBondContact O-N 2.95Å; D78-E80 WeakPolarHBondContact OD1-CB 3.38Å; D78-E80 WeakPolarHBondContact OD1-CG 3.36Å; D78-E80 PolarHBondContact OD1-N 3.34Å; E80-F82 VanDerWaalsContact C-N 3.25Å; E80-F82 PolarHBondContact O-N 3.39Å; E80-S83 PolarHBondContact O-N 3.44Å; E80-R84 PolarHBondContact O-N 2.99Å
81I97.6Very high97.5Very high28 Ų2859.5 Ų59.514%0.14431%0.306CS..Hα-helixtrans-57.4-35.8172-167.5156.1000113.2P50 D78 P79 R84 L85P50-I81 HydrophobicContact CB-CB 4.38Å; P50-I81 HydrophobicContact CB-CD1 3.95Å; P50-I81 HydrophobicContact CB-CG1 4.2Å; P50-I81 HydrophobicContact CB-CG2 3.35Å; P50-I81 HydrophobicContact CG-CD1 4.36Å; P50-I81 HydrophobicContact CG-CG2 3.76Å; D78-I81 WeakPolarHBondContact O-CG2 3.4Å; P79-I81 PolarHBondContact O-N 3.48Å; I81-R84 PolarHBondContact O-N 3.29Å; I81-L85 HydrophobicContact CG1-CD1 4.12Å; I81-L85 VanDerWaalsContact O-CG 3.29Å; I81-L85 WeakPolarHBondContact O-CG 3.48Å; I81-L85 PolarHBondContact O-N 2.86Å
82F98.4Very high97.6Very high0 Ų059.4 Ų59.40%031%0.305CS..Hα-helixtrans-71.9-37.4-179.6-68.5-56.8000111.8P50 L53 V54 V67 Y77 P79 E80 R84 L85 N86 V87 Y89P50-F82 HydrophobicContact CB-CE1 3.82Å; P50-F82 HydrophobicContact CB-CE2 4.34Å; P50-F82 HydrophobicContact CB-CZ 3.7Å; P50-F82 HydrophobicContact CG-CZ 4.48Å; L53-F82 HydrophobicContact CD2-CE1 4.29Å; V54-F82 HydrophobicContact CG2-CD1 4.25Å; V54-F82 HydrophobicContact CG2-CE1 4.14Å; V67-F82 HydrophobicContact CB-CD2 4.47Å; V67-F82 HydrophobicContact CB-CE1 4.41Å; V67-F82 HydrophobicContact CB-CE2 4.21Å; V67-F82 HydrophobicContact CB-CZ 4.18Å; V67-F82 HydrophobicContact CG1-CE2 3.86Å; V67-F82 HydrophobicContact CG1-CZ 3.88Å; V67-F82 HydrophobicContact CG2-CD1 4.01Å; V67-F82 HydrophobicContact CG2-CE1 3.67Å; V67-F82 HydrophobicContact CG2-CE2 4.33Å; V67-F82 HydrophobicContact CG2-CZ 3.83Å; Y77-F82 HydrophobicContact CD2-CE2 4.24Å; Y77-F82 HydrophobicContact CE2-CD2 4.25Å; Y77-F82 AromaticContact CE2-CE2 3.49Å; Y77-F82 HydrophobicContact CE2-CE2 3.49Å; Y77-F82 VanDerWaalsContact CE2-CE2 3.49Å; Y77-F82 HydrophobicContact CE2-CZ 4.34Å; P79-F82 PolarHBondContact O-N 3.33Å; E80-F82 VanDerWaalsContact C-N 3.25Å; E80-F82 PolarHBondContact O-N 3.39Å; F82-R84 VanDerWaalsContact C-N 3.33Å; F82-R84 PolarHBondContact O-N 3.08Å; F82-L85 CarbonylContact O-C 3.5Å; F82-L85 WeakPolarHBondContact O-CA 3.28Å; F82-L85 PolarHBondContact O-N 3.39Å; F82-N86 PolarHBondContact O-N 2.83Å; F82-N86 VanDerWaalsContact O-N 3.14Å; F82-V87 CarbonylContact C-O 3.55Å; F82-V87 HydrophobicContact CB-CB 4.09Å; F82-V87 HydrophobicContact CB-CG1 4.34Å; F82-V87 HydrophobicContact CD1-CB 4.27Å; F82-V87 HydrophobicContact CD1-CG1 4.13Å; F82-V87 HydrophobicContact CG-CG1 4.49Å; F82-V87 PolarHBondContact O-N 2.85Å; F82-Y89 AromaticContact CD2-CD2 3.45Å; F82-Y89 HydrophobicContact CD2-CD2 3.45Å; F82-Y89 VanDerWaalsContact CD2-CD2 3.45Å; F82-Y89 HydrophobicContact CD2-CE2 4.14Å; F82-Y89 HydrophobicContact CD2-CG 4.1Å; F82-Y89 AromaticContact CE2-CD2 3.8Å; F82-Y89 HydrophobicContact CE2-CD2 3.8Å; F82-Y89 HydrophobicContact CE2-CE2 4.11Å; F82-Y89 HydrophobicContact CG-CD2 4.45Å
83S97.3Very high97.6Very high90 Ų9061.2 Ų61.263%0.62931%0.305SS*.Hα-helixtrans-58-45.6171.51770000111.5E80 L85 N86E80-S83 PolarHBondContact O-N 3.44Å; S83-L85 PolarHBondContact O-N 2.91Å; S83-N86 PolarHBondContact O-N 2.85Å
84R97.5Very high97.7Very high177 Ų17759.7 Ų59.767%0.66830%0.295SS*.Hα-helixtrans-62.6-23.3175.1-68.7-177.2-70.5170-2.8113.9E80 I81 F82E80-R84 PolarHBondContact O-N 2.99Å; I81-R84 PolarHBondContact O-N 3.29Å; F82-R84 VanDerWaalsContact C-N 3.33Å; F82-R84 PolarHBondContact O-N 3.08Å
85L97.4Very high97.6Very high35 Ų3558 Ų5818%0.18329%0.289CS..THydrogen-bonded Turntrans-94.65.5177.1-64.7171.4000113.1V54 I81 F82 S83 V87V54-L85 HydrophobicContact CB-CD1 4.2Å; V54-L85 HydrophobicContact CG2-CD1 3.88Å; I81-L85 HydrophobicContact CG1-CD1 4.12Å; I81-L85 VanDerWaalsContact O-CG 3.29Å; I81-L85 WeakPolarHBondContact O-CG 3.48Å; I81-L85 PolarHBondContact O-N 2.86Å; F82-L85 CarbonylContact O-C 3.5Å; F82-L85 WeakPolarHBondContact O-CA 3.28Å; F82-L85 PolarHBondContact O-N 3.39Å; S83-L85 PolarHBondContact O-N 2.91Å; L85-V87 VanDerWaalsContact C-N 3.3Å; L85-V87 HydrophobicContact CB-CG2 4.13Å; L85-V87 PolarHBondContact O-N 2.99Å
86N97Very high97.3Very high143 Ų14356.9 Ų56.977%0.76531%0.305SS*.THydrogen-bonded Turntrans55.343.8-173.7-54.7-67.1000112.5F82 S83F82-N86 PolarHBondContact O-N 2.83Å; F82-N86 VanDerWaalsContact O-N 3.14Å; S83-N86 PolarHBondContact O-N 2.85Å
87V98.5Very high97Very high6 Ų658.6 Ų58.64%0.03633%0.326CS..  trans-118.5126.4177.5176.70000108.8V54 V64 V67 F82 L85V54-V87 HydrophobicContact CG1-CG2 4.46Å; V54-V87 HydrophobicContact CG2-CG2 4.11Å; V64-V87 HydrophobicContact CG1-CG1 3.94Å; V64-V87 WeakPolarHBondContact O-CG2 3.33Å; V67-V87 HydrophobicContact CB-CG1 4.45Å; V67-V87 HydrophobicContact CG2-CG1 3.82Å; F82-V87 CarbonylContact C-O 3.55Å; F82-V87 HydrophobicContact CB-CB 4.09Å; F82-V87 HydrophobicContact CB-CG1 4.34Å; F82-V87 HydrophobicContact CD1-CB 4.27Å; F82-V87 HydrophobicContact CD1-CG1 4.13Å; F82-V87 HydrophobicContact CG-CG1 4.49Å; F82-V87 PolarHBondContact O-N 2.85Å; L85-V87 VanDerWaalsContact C-N 3.3Å; L85-V87 HydrophobicContact CB-CG2 4.13Å; L85-V87 PolarHBondContact O-N 2.99Å
88D98.2Very high96.8Very high76 Ų7662.5 Ų62.541%0.40635%0.354SS..EExtended strand (participates in β ladder)trans-65.2137.2174.1-66.9-28.9000109.9K65 M66 V67K65-D88 PolarHBondContact O-N 3.3Å; M66-D88 CarbonylContact C-O 3.59Å; M66-D88 VanDerWaalsContact CA-O 3.27Å; M66-D88 WeakPolarHBondContact CA-O 3.18Å; M66-D88 HydrophobicContact CB-CB 4.25Å; M66-D88 HydrophobicContact CE-CB 4.3Å; M66-D88 HydrophobicContact CG-CB 4.22Å; V67-D88 PolarHBondContact N-O 2.83Å
89Y98.6Very high96.8Very high64 Ų6460.8 Ų60.825%0.25135%0.346SS..EExtended strand (participates in β ladder)trans-120.9125.9-179.9175-98000111V67 N69 Y77 P79 F82 K91V67-Y89 HydrophobicContact CB-CD2 4.34Å; V67-Y89 HydrophobicContact CG1-CD2 4.18Å; V67-Y89 HydrophobicContact CG1-CE2 4.44Å; N69-Y89 HydrophobicContact CB-CE2 3.72Å; N69-Y89 PolarHBondContact ND2-OH 3.1Å; Y77-Y89 HydrophobicContact CE2-CE2 4.14Å; Y77-Y89 WeakPolarHBondContact OH-CE2 3.4Å; P79-Y89 HydrophobicContact CB-CD1 3.47Å; P79-Y89 VanDerWaalsContact CB-CD1 3.47Å; P79-Y89 HydrophobicContact CB-CD2 4.18Å; P79-Y89 HydrophobicContact CB-CE1 3.33Å; P79-Y89 HydrophobicContact CB-CE2 4.07Å; P79-Y89 HydrophobicContact CB-CG 3.87Å; P79-Y89 HydrophobicContact CG-CD1 4.4Å; P79-Y89 HydrophobicContact CG-CE1 4.01Å; F82-Y89 AromaticContact CD2-CD2 3.45Å; F82-Y89 HydrophobicContact CD2-CD2 3.45Å; F82-Y89 VanDerWaalsContact CD2-CD2 3.45Å; F82-Y89 HydrophobicContact CD2-CE2 4.14Å; F82-Y89 HydrophobicContact CD2-CG 4.1Å; F82-Y89 AromaticContact CE2-CD2 3.8Å; F82-Y89 HydrophobicContact CE2-CD2 3.8Å; F82-Y89 HydrophobicContact CE2-CE2 4.11Å; F82-Y89 HydrophobicContact CG-CD2 4.45Å; Y89-K91 HydrophobicContact CE1-CB 3.89Å
90V98.5Very high96.7Very high13 Ų1358.7 Ų58.78%0.07933%0.333CS..EExtended strand (participates in β ladder)trans-119.8134.3177.51740000109M66 V67 I68 N69 I92 H111M66-V90 HydrophobicContact CE-CG2 4.38Å; M66-V90 HydrophobicContact CG-CG2 4.37Å; M66-V90 HydrophobicContact SD-CG2 4.09Å; V67-V90 PolarHBondContact O-N 3.44Å; I68-V90 HydrophobicContact CG1-CB 4.23Å; I68-V90 HydrophobicContact CG2-CG1 4.37Å; N69-V90 PolarHBondContact N-O 3.47Å; V90-I92 HydrophobicContact CG1-CD1 4.41Å; V90-I92 HydrophobicContact CG1-CG1 3.97Å; V90-H111 HydrophobicContact CG1-CB 4.5Å; V90-H111 WeakPolarHBondContact CG1-CD2 3.25Å; V90-H111 WeakPolarHBondContact CG1-NE2 3.3Å; V90-H111 HydrophobicContact CG2-CB 4.4Å
91K98.6Very high96.5Very high40 Ų4055 Ų5517%0.17432%0.324CS..EExtended strand (participates in β ladder)trans-117.3115.1175.7177.161.2177.3-131.80110.2N69 T71 T73 D74 Y89 M93N69-K91 HydrophobicContact CB-CD 3.95Å; N69-K91 PolarHBondContact ND2-NZ 2.93Å; N69-K91 VanDerWaalsContact ND2-NZ 3.12Å; T71-K91 WeakPolarHBondContact O-CE 3.46Å; T71-K91 PolarHBondContact O-NZ 2.71Å; T71-K91 PolarHBondContact OG1-NZ 3.47Å; T73-K91 PolarHBondContact O-NZ 2.95Å; D74-K91 VanDerWaalsContact OD1-CE 3.31Å; D74-K91 WeakPolarHBondContact OD1-CE 3.44Å; D74-K91 IonicContact OD1-NZ 3.09Å; D74-K91 PolarHBondContact OD1-NZ 3.41Å; Y89-K91 HydrophobicContact CE1-CB 3.89Å; K91-M93 HydrophobicContact CD-CG 4.34Å; K91-M93 HydrophobicContact CG-CE 4.31Å; K91-M93 HydrophobicContact CG-CG 4.07Å
92I98.5Very high96.4Very high0 Ų056.9 Ų56.90%033%0.334CS..  trans-113108.6170.8-48.1-177.2000107.2I68 N69 L70 V90 V94 F104 E107 F108I68-I92 HydrophobicContact CG2-CD1 4.05Å; I68-I92 HydrophobicContact CG2-CG1 4.31Å; N69-I92 PolarHBondContact O-N 3.47Å; N69-I92 VanDerWaalsContact O-O 3.12Å; L70-I92 CarbonylContact C-O 3.45Å; L70-I92 VanDerWaalsContact CA-O 3.3Å; L70-I92 WeakPolarHBondContact CA-O 3.45Å; L70-I92 HydrophobicContact CD2-CB 4Å; L70-I92 HydrophobicContact CD2-CD1 4.24Å; L70-I92 HydrophobicContact CD2-CG1 4.44Å; V90-I92 HydrophobicContact CG1-CD1 4.41Å; V90-I92 HydrophobicContact CG1-CG1 3.97Å; I92-V94 VanDerWaalsContact C-N 3.26Å; I92-V94 HydrophobicContact CB-CG2 4.31Å; I92-V94 HydrophobicContact CG2-CG2 3.77Å; I92-V94 PolarHBondContact O-N 3.07Å; I92-F104 HydrophobicContact CG2-CB 4.16Å; I92-F104 HydrophobicContact CG2-CD1 3.67Å; I92-F104 HydrophobicContact CG2-CG 4.35Å; I92-E107 HydrophobicContact CD1-CB 4.44Å; I92-E107 HydrophobicContact CD1-CG 4.09Å; I92-E107 HydrophobicContact CG1-CG 4.24Å; I92-F108 HydrophobicContact CD1-CB 3.81Å; I92-F108 HydrophobicContact CD1-CD2 4.2Å
93M97.7Very high96.3Very high100 Ų10061.8 Ų61.849%0.49336%0.36SS..  trans-77.171.3-175-69.5-161.4-174.600112.5D74 K91 P95D74-M93 WeakPolarHBondContact OD2-CE 3.45Å; K91-M93 HydrophobicContact CD-CG 4.34Å; K91-M93 HydrophobicContact CG-CE 4.31Å; K91-M93 HydrophobicContact CG-CG 4.07Å; M93-P95 VanDerWaalsContact O-CD 3.25Å; M93-P95 WeakPolarHBondContact O-CD 3.4Å
94V97.5Very high96.3Very high4 Ų460 Ų602%0.02434%0.341CS..  trans-76.7114.1-175.6-1720000111L70 A72 I92 P100 F104 R139 F143L70-V94 HydrophobicContact CB-CG2 4.22Å; L70-V94 HydrophobicContact CD2-CG2 4.08Å; A72-V94 WeakPolarHBondContact CB-O 3.33Å; I92-V94 VanDerWaalsContact C-N 3.26Å; I92-V94 HydrophobicContact CB-CG2 4.31Å; I92-V94 HydrophobicContact CG2-CG2 3.77Å; I92-V94 PolarHBondContact O-N 3.07Å; V94-P100 HydrophobicContact CG1-CB 4.02Å; V94-P100 HydrophobicContact CG1-CG 4Å; V94-F104 HydrophobicContact CG2-CG 4.49Å; V94-R139 HydrophobicContact CG1-CG 4.46Å; V94-F143 HydrophobicContact CB-CE2 4.42Å; V94-F143 HydrophobicContact CB-CZ 4.42Å; V94-F143 HydrophobicContact CG1-CE2 3.89Å; V94-F143 HydrophobicContact CG1-CZ 4.02Å; V94-F143 HydrophobicContact CG2-CE1 4.32Å; V94-F143 HydrophobicContact CG2-CE2 3.8Å; V94-F143 HydrophobicContact CG2-CZ 3.49Å; V94-F143 VanDerWaalsContact CG2-CZ 3.49Å
95P94.2Very high96.2Very high62 Ų6253.3 Ų53.340%0.40332%0.316SS..  trans-63.3153.8179.126.7-34000111.5M93 F104 R139M93-P95 VanDerWaalsContact O-CD 3.25Å; M93-P95 WeakPolarHBondContact O-CD 3.4Å; P95-F104 HydrophobicContact CG-CE2 4.39Å; P95-R139 PolarHBondContact O-NE 3.44Å; P95-R139 PolarHBondContact O-NH2 3.03Å
96G89.3Confident96.2Very high63 Ų6354.8 Ų54.865%0.64932%0.323SS*.SBendtrans-71.7171.9165.500000111.7
97G91.1Very high96.2Very high48 Ų4851.4 Ų51.450%0.49530%0.302SS..SBendtrans100.7-121.5177.700000112.2Y175G97-Y175 WeakPolarHBondContact O-CE2 3.46Å; G97-Y175 PolarHBondContact O-OH 3.08Å
98P94.2Very high96.3Very high99 Ų9951.3 Ų51.364%0.64330%0.301SS*.SBendtrans-68.3-178.5-169.130.9-37.2000113.5R139P98-R139 VanDerWaalsContact O-CZ 3.31Å; P98-R139 PolarHBondContact O-NH1 3.13Å; P98-R139 PolarHBondContact O-NH2 2.94Å
99V96.3Very high96.2Very high49 Ų4950.1 Ų50.130%0.29729%0.294SS..PPolyproline II helixtrans-53.8135.1167.2179.10000109Y142 Y175 L176 D179V99-Y142 HydrophobicContact CG1-CE2 4.12Å; V99-Y142 WeakPolarHBondContact CG1-OH 3.2Å; V99-Y175 HydrophobicContact CG2-CD2 3.91Å; V99-Y175 HydrophobicContact CG2-CE2 4.43Å; V99-L176 HydrophobicContact CG2-CD2 4.43Å; V99-D179 HydrophobicContact CG1-CB 4.45Å; V99-D179 HydrophobicContact CG2-CB 4.14Å
100P96.1Very high96.2Very high5 Ų552 Ų523%0.03231%0.305CS..PPolyproline II helixtrans-61.2139.5176.8-19.534.6000111.3V94 F104 R105 Y142 F143V94-P100 HydrophobicContact CG1-CB 4.02Å; V94-P100 HydrophobicContact CG1-CG 4Å; P100-F104 HydrophobicContact CB-CD2 4.39Å; P100-R105 PolarHBondContact O-NH1 3.25Å; P100-Y142 HydrophobicContact CB-CE1 4.05Å; P100-Y142 HydrophobicContact CG-CD1 3.68Å; P100-Y142 HydrophobicContact CG-CE1 3.44Å; P100-Y142 VanDerWaalsContact CG-CE1 3.44Å; P100-F143 HydrophobicContact CB-CE2 3.99Å; P100-F143 HydrophobicContact CB-CZ 3.85Å; P100-F143 HydrophobicContact CG-CE2 3.67Å; P100-F143 HydrophobicContact CG-CZ 4.07Å
101A94.6Very high96.2Very high53 Ų5354.2 Ų54.244%0.43831%0.314SS..PPolyproline II helixtrans-56.3156.4172.500000112D103 F104A101-D103 VanDerWaalsContact C-N 3.28Å; A101-D103 PolarHBondContact O-N 3.31Å; A101-F104 HydrophobicContact CB-CD2 4.02Å; A101-F104 HydrophobicContact CB-CE2 4.19Å; A101-F104 PolarHBondContact O-N 2.79Å
102I94.4Very high96.2Very high67 Ų6752.3 Ų52.334%0.34431%0.306SS..Hα-helixtrans-60.7-36.5-177.8-170.2163.7000112.5F104 R105 M106I102-F104 VanDerWaalsContact C-N 3.31Å; I102-F104 PolarHBondContact O-N 2.72Å; I102-R105 WeakPolarHBondContact O-CA 3.27Å; I102-R105 WeakPolarHBondContact O-CB 3.25Å; I102-R105 PolarHBondContact O-N 3.09Å; I102-M106 HydrophobicContact CG1-CG 4.19Å; I102-M106 HydrophobicContact CG1-SD 4.42Å; I102-M106 HydrophobicContact CG2-CE 4.43Å; I102-M106 PolarHBondContact O-N 2.93Å
103D96.4Very high96.2Very high104 Ų10457.2 Ų57.256%0.55633%0.327SS*.Hα-helixtrans-55.3-43.5-179.8-58.7-8.8000112.9A101 R105 M106 E107A101-D103 VanDerWaalsContact C-N 3.28Å; A101-D103 PolarHBondContact O-N 3.31Å; D103-R105 VanDerWaalsContact C-N 3.26Å; D103-R105 PolarHBondContact O-N 2.88Å; D103-M106 HydrophobicContact CB-CE 4.42Å; D103-M106 PolarHBondContact O-N 2.99Å; D103-M106 VanDerWaalsContact OD1-CE 3.3Å; D103-M106 WeakPolarHBondContact OD1-CE 3.45Å; D103-E107 WeakPolarHBondContact O-CB 3.47Å; D103-E107 PolarHBondContact O-N 3.14Å
104F97.8Very high96.2Very high52 Ų5254.3 Ų54.323%0.22832%0.32CS..Hα-helixtrans-62.5-36.1176.3-62-63.1000111.9I92 V94 P95 P100 A101 I102 F108 F143I92-F104 HydrophobicContact CG2-CB 4.16Å; I92-F104 HydrophobicContact CG2-CD1 3.67Å; I92-F104 HydrophobicContact CG2-CG 4.35Å; V94-F104 HydrophobicContact CG2-CG 4.49Å; P95-F104 HydrophobicContact CG-CE2 4.39Å; P100-F104 HydrophobicContact CB-CD2 4.39Å; A101-F104 HydrophobicContact CB-CD2 4.02Å; A101-F104 HydrophobicContact CB-CE2 4.19Å; A101-F104 PolarHBondContact O-N 2.79Å; I102-F104 VanDerWaalsContact C-N 3.31Å; I102-F104 PolarHBondContact O-N 2.72Å; F104-F108 WeakPolarHBondContact O-CB 3.32Å; F104-F108 PolarHBondContact O-N 2.89Å; F104-F143 HydrophobicContact CB-CE1 3.91Å; F104-F143 HydrophobicContact CB-CZ 3.78Å; F104-F143 WeakPolarHBondContact O-CE1 3.36Å
105R96Very high96.2Very high37 Ų3754.2 Ų54.214%0.1432%0.319CS..Hα-helixtrans-72.1-39179.1-57.6-165.2-59.4-91.212.6111.3P100 I102 D103 F108 M109 Y142 F143P100-R105 PolarHBondContact O-NH1 3.25Å; I102-R105 WeakPolarHBondContact O-CA 3.27Å; I102-R105 WeakPolarHBondContact O-CB 3.25Å; I102-R105 PolarHBondContact O-N 3.09Å; D103-R105 VanDerWaalsContact C-N 3.26Å; D103-R105 PolarHBondContact O-N 2.88Å; R105-F108 PolarHBondContact O-N 2.79Å; R105-M109 WeakPolarHBondContact O-CB 3.4Å; R105-M109 PolarHBondContact O-N 2.89Å; R105-Y142 HydrophobicContact CG-CE1 4.27Å; R105-Y142 PolarHBondContact NH1-OH 3.36Å; R105-F143 HydrophobicContact CG-CE1 4.28Å
106M96.4Very high96.4Very high65 Ų6553.4 Ų53.432%0.3231%0.309SS..Hα-helixtrans-62.9-44.2174.1-66.2-170.3-64.900111I102 D103 F108 M109 E110 M188I102-M106 HydrophobicContact CG1-CG 4.19Å; I102-M106 HydrophobicContact CG1-SD 4.42Å; I102-M106 HydrophobicContact CG2-CE 4.43Å; I102-M106 PolarHBondContact O-N 2.93Å; D103-M106 HydrophobicContact CB-CE 4.42Å; D103-M106 PolarHBondContact O-N 2.99Å; D103-M106 VanDerWaalsContact OD1-CE 3.3Å; D103-M106 WeakPolarHBondContact OD1-CE 3.45Å; M106-F108 PolarHBondContact O-N 3.12Å; M106-M109 PolarHBondContact O-N 3.33Å; M106-E110 WeakPolarHBondContact O-CB 3.29Å; M106-E110 PolarHBondContact O-N 3.26Å; M106-M188 HydrophobicContact CG-CE 4.4Å
107E98.2Very high96.8Very high73 Ų7356.5 Ų56.534%0.34131%0.307SS..Hα-helixtrans-59.4-46.6174.2-175.4-177.3168.300111.6I92 D103 M109 E110 H111I92-E107 HydrophobicContact CD1-CB 4.44Å; I92-E107 HydrophobicContact CD1-CG 4.09Å; I92-E107 HydrophobicContact CG1-CG 4.24Å; D103-E107 WeakPolarHBondContact O-CB 3.47Å; D103-E107 PolarHBondContact O-N 3.14Å; E107-M109 PolarHBondContact O-N 3.44Å; E107-E110 PolarHBondContact O-N 2.91Å; E107-H111 PolarHBondContact O-CD2 3.26Å; E107-H111 PolarHBondContact O-N 3.06Å; E107-H111 VanDerWaalsContact O-N 3.13Å
108F98.6Very high97Very high3 Ų360.7 Ų60.71%0.01331%0.313CS..Hα-helixtrans-58.7-47.7175.1-178.9-89.5000112F26 I68 L70 I92 F104 R105 M106 E110 H111 V112 V131 F143 I144 Y147F26-F108 HydrophobicContact CE1-CE1 4.26Å; F26-F108 AromaticContact CE1-CZ 3.91Å; F26-F108 HydrophobicContact CE1-CZ 3.91Å; F26-F108 HydrophobicContact CZ-CE1 4.34Å; F26-F108 HydrophobicContact CZ-CZ 4.41Å; I68-F108 HydrophobicContact CB-CE2 4.49Å; I68-F108 HydrophobicContact CD1-CD2 3.97Å; I68-F108 HydrophobicContact CD1-CE2 3.67Å; I68-F108 HydrophobicContact CD1-CZ 4.34Å; I68-F108 HydrophobicContact CG2-CD2 3.96Å; I68-F108 HydrophobicContact CG2-CE2 4.08Å; L70-F108 HydrophobicContact CD2-CD2 4.35Å; I92-F108 HydrophobicContact CD1-CB 3.81Å; I92-F108 HydrophobicContact CD1-CD2 4.2Å; F104-F108 WeakPolarHBondContact O-CB 3.32Å; F104-F108 PolarHBondContact O-N 2.89Å; R105-F108 PolarHBondContact O-N 2.79Å; M106-F108 PolarHBondContact O-N 3.12Å; F108-E110 PolarHBondContact O-N 3.33Å; F108-H111 PolarHBondContact O-N 3.36Å; F108-V112 HydrophobicContact CD1-CG2 4.06Å; F108-V112 HydrophobicContact CE1-CG2 3.68Å; F108-V112 HydrophobicContact CZ-CG2 3.99Å; F108-V112 WeakPolarHBondContact O-CG2 3.08Å; F108-V112 PolarHBondContact O-N 3.44Å; F108-V131 HydrophobicContact CE2-CG1 3.9Å; F108-V131 HydrophobicContact CE2-CG2 3.99Å; F108-V131 HydrophobicContact CZ-CG1 4.5Å; F108-V131 HydrophobicContact CZ-CG2 4.09Å; F108-F143 HydrophobicContact CB-CD1 3.61Å; F108-F143 HydrophobicContact CB-CE1 4.09Å; F108-F143 HydrophobicContact CD1-CB 4.37Å; F108-F143 HydrophobicContact CD1-CD1 4.35Å; F108-F143 HydrophobicContact CD2-CB 4.04Å; F108-F143 AromaticContact CD2-CD1 3.86Å; F108-F143 HydrophobicContact CD2-CD1 3.86Å; F108-F143 HydrophobicContact CD2-CG 4.32Å; F108-F143 HydrophobicContact CE1-CB 4.34Å; F108-F143 HydrophobicContact CE2-CB 4.02Å; F108-F143 HydrophobicContact CG-CB 4.23Å; F108-F143 AromaticContact CG-CD1 3.68Å; F108-F143 HydrophobicContact CG-CD1 3.68Å; F108-F143 HydrophobicContact CG-CG 4.42Å; F108-F143 HydrophobicContact CZ-CB 4.18Å; F108-I144 HydrophobicContact CZ-CG1 4.42Å; F108-Y147 HydrophobicContact CE1-CG 4.25Å
109M97.7Very high97.1Very high52 Ų5259.8 Ų59.826%0.25630%0.297SS..Hα-helixtrans-59.2-45.4178.9177-177.370.300111.7R105 M106 E107 H111 V112 K113 Y147 V151 M188R105-M109 WeakPolarHBondContact O-CB 3.4Å; R105-M109 PolarHBondContact O-N 2.89Å; M106-M109 PolarHBondContact O-N 3.33Å; E107-M109 PolarHBondContact O-N 3.44Å; M109-H111 VanDerWaalsContact C-N 3.34Å; M109-H111 PolarHBondContact O-N 3.08Å; M109-V112 PolarHBondContact O-N 3.27Å; M109-K113 WeakPolarHBondContact O-CB 3.35Å; M109-K113 PolarHBondContact O-N 3.19Å; M109-Y147 HydrophobicContact CB-CD2 4.3Å; M109-Y147 HydrophobicContact CG-CD2 4.21Å; M109-Y147 HydrophobicContact CG-CE2 4.13Å; M109-V151 HydrophobicContact CG-CG2 4.08Å; M109-V151 HydrophobicContact SD-CG2 3.7Å; M109-M188 HydrophobicContact CE-CE 3.7Å; M109-M188 HydrophobicContact SD-CE 3.46Å; M109-M188 WeakPolarHBondContact SD-CE 3.31Å; M109-M188 HydrophobicContact SD-SD 4.48Å
110E98.1Very high97Very high103 Ų10364.3 Ų64.348%0.48132%0.319SS..Hα-helixtrans-61.5-42.5-179.9-174.557.7-155.400111.4M106 E107 F108 V112 K113 A114M106-E110 WeakPolarHBondContact O-CB 3.29Å; M106-E110 PolarHBondContact O-N 3.26Å; E107-E110 PolarHBondContact O-N 2.91Å; F108-E110 PolarHBondContact O-N 3.33Å; E110-V112 PolarHBondContact O-N 3.01Å; E110-K113 PolarHBondContact O-N 2.88Å; E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 3.17Å
111H98.6Very high97.1Very high59 Ų5965.6 Ų65.627%0.27332%0.324SS..Hα-helixtrans-65.2-38.1175.5-74.5-58.8000113.3M66 V90 E107 F108 M109 F115M66-H111 HydrophobicContact SD-CB 4.44Å; V90-H111 HydrophobicContact CG1-CB 4.5Å; V90-H111 WeakPolarHBondContact CG1-CD2 3.25Å; V90-H111 WeakPolarHBondContact CG1-NE2 3.3Å; V90-H111 HydrophobicContact CG2-CB 4.4Å; E107-H111 PolarHBondContact O-CD2 3.26Å; E107-H111 PolarHBondContact O-N 3.06Å; E107-H111 VanDerWaalsContact O-N 3.13Å; F108-H111 PolarHBondContact O-N 3.36Å; M109-H111 VanDerWaalsContact C-N 3.34Å; M109-H111 PolarHBondContact O-N 3.08Å; H111-F115 VanDerWaalsContact O-CB 3.28Å; H111-F115 WeakPolarHBondContact O-CB 3.32Å; H111-F115 PolarHBondContact O-N 2.94Å
112V98.5Very high97.1Very high0 Ų065.6 Ų65.60%032%0.32CS..Hα-helixtrans-68-39.6175.2179.60000111F26 I68 F108 M109 E110 F115 K116 I129 Y147F26-V112 HydrophobicContact CE1-CG1 4.18Å; F26-V112 HydrophobicContact CE1-CG2 3.73Å; F26-V112 HydrophobicContact CZ-CG1 3.78Å; F26-V112 HydrophobicContact CZ-CG2 3.88Å; I68-V112 HydrophobicContact CD1-CG2 4.29Å; F108-V112 HydrophobicContact CD1-CG2 4.06Å; F108-V112 HydrophobicContact CE1-CG2 3.68Å; F108-V112 HydrophobicContact CZ-CG2 3.99Å; F108-V112 WeakPolarHBondContact O-CG2 3.08Å; F108-V112 PolarHBondContact O-N 3.44Å; M109-V112 PolarHBondContact O-N 3.27Å; E110-V112 PolarHBondContact O-N 3.01Å; V112-F115 WeakPolarHBondContact O-CB 3.15Å; V112-F115 PolarHBondContact O-N 3.43Å; V112-K116 WeakPolarHBondContact O-CG 3.43Å; V112-K116 PolarHBondContact O-N 3Å; V112-I129 HydrophobicContact CB-CD1 4.37Å; V112-I129 HydrophobicContact CG1-CD1 4.01Å; V112-I129 HydrophobicContact CG2-CD1 4.08Å; V112-Y147 HydrophobicContact CB-CD2 4.47Å; V112-Y147 HydrophobicContact CB-CE2 3.92Å; V112-Y147 HydrophobicContact CG1-CE1 3.85Å; V112-Y147 HydrophobicContact CG1-CE2 3.81Å; V112-Y147 VanDerWaalsContact CG1-OH 3.3Å; V112-Y147 WeakPolarHBondContact CG1-OH 3.48Å
113K97.8Very high97Very high103 Ų10365.9 Ų65.945%0.44833%0.327SS..Hα-helixtrans-63.5-50.9176.2-177.4-177.1171-170.30111M109 E110 F115 K116 E117M109-K113 WeakPolarHBondContact O-CB 3.35Å; M109-K113 PolarHBondContact O-N 3.19Å; E110-K113 PolarHBondContact O-N 2.88Å; K113-F115 VanDerWaalsContact C-N 3.26Å; K113-F115 PolarHBondContact O-N 3.14Å; K113-K116 PolarHBondContact O-N 3.18Å; K113-K116 VanDerWaalsContact O-N 3.07Å; K113-E117 WeakPolarHBondContact CE-OE1 3.34Å; K113-E117 WeakPolarHBondContact O-CG 3.32Å; K113-E117 PolarHBondContact O-N 3.5Å
114A98.2Very high96.8Very high40 Ų4068.3 Ų68.333%0.33134%0.34SS..Hα-helixtrans-58.1-39.1176.400000111.9E110 H118E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 3.17Å; A114-H118 WeakPolarHBondContact O-CB 3.46Å; A114-H118 PolarHBondContact O-N 3.32Å
115F98.4Very high96.5Very high2 Ų268.4 Ų68.41%0.00934%0.343CS..Hα-helixtrans-58.8-52.1172.2173.5-88.1000112.1P25 K65 M66 H111 V112 K113 E117 H118 W119 Y121 A127 I129P25-F115 HydrophobicContact CB-CE1 3.9Å; P25-F115 HydrophobicContact CG-CE1 4.46Å; K65-F115 HydrophobicContact CB-CE2 3.53Å; K65-F115 HydrophobicContact CB-CZ 4.09Å; M66-F115 HydrophobicContact CB-CD2 3.79Å; M66-F115 HydrophobicContact CB-CE2 4.03Å; M66-F115 HydrophobicContact CE-CB 3.88Å; M66-F115 HydrophobicContact CE-CD2 4.09Å; M66-F115 HydrophobicContact CE-CG 4.5Å; M66-F115 HydrophobicContact SD-CB 4.3Å; M66-F115 HydrophobicContact SD-CD2 4.37Å; H111-F115 VanDerWaalsContact O-CB 3.28Å; H111-F115 WeakPolarHBondContact O-CB 3.32Å; H111-F115 PolarHBondContact O-N 2.94Å; V112-F115 WeakPolarHBondContact O-CB 3.15Å; V112-F115 PolarHBondContact O-N 3.43Å; K113-F115 VanDerWaalsContact C-N 3.26Å; K113-F115 PolarHBondContact O-N 3.14Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.04Å; F115-H118 PolarHBondContact O-N 3.37Å; F115-W119 AromaticContact CD2-CD1 3.54Å; F115-W119 AromaticContact CD2-NE1 3.96Å; F115-W119 AromaticContact CE2-CD1 3.51Å; F115-W119 HydrophobicContact CE2-CG 4.34Å; F115-W119 AromaticContact CE2-NE1 3.87Å; F115-W119 HydrophobicContact CZ-CG 4.49Å; F115-W119 PolarHBondContact O-N 3.29Å; F115-Y121 HydrophobicContact CE1-CD2 4.07Å; F115-Y121 HydrophobicContact CE1-CG 4.38Å; F115-A127 HydrophobicContact CZ-CB 4.06Å; F115-I129 HydrophobicContact CB-CD1 4.01Å; F115-I129 HydrophobicContact CB-CG1 4.5Å; F115-I129 HydrophobicContact CD1-CD1 3.56Å; F115-I129 HydrophobicContact CD1-CG1 3.73Å; F115-I129 HydrophobicContact CD2-CD1 4.15Å; F115-I129 HydrophobicContact CD2-CG1 3.72Å; F115-I129 HydrophobicContact CE1-CD1 4.04Å; F115-I129 HydrophobicContact CE1-CG1 3.77Å; F115-I129 HydrophobicContact CE2-CG1 3.72Å; F115-I129 HydrophobicContact CG-CD1 3.63Å; F115-I129 HydrophobicContact CG-CG1 3.71Å; F115-I129 HydrophobicContact CZ-CD1 4.5Å; F115-I129 HydrophobicContact CZ-CG1 3.76Å
116K97.7Very high96.6Very high45 Ų4572.5 Ų72.520%0.19636%0.363CS..Hα-helixtrans-60.9-41.5-177.5-75.3-176.6171.9-1710111.2V112 K113 N120 Y121 Y147 E152V112-K116 WeakPolarHBondContact O-CG 3.43Å; V112-K116 PolarHBondContact O-N 3Å; K113-K116 PolarHBondContact O-N 3.18Å; K113-K116 VanDerWaalsContact O-N 3.07Å; K116-N120 WeakPolarHBondContact O-CA 3.15Å; K116-N120 PolarHBondContact O-N 3.21Å; K116-N120 VanDerWaalsContact O-N 3.12Å; K116-Y121 HydrophobicContact CD-CD1 4.29Å; K116-Y121 HydrophobicContact CG-CD1 3.9Å; K116-Y121 HydrophobicContact CG-CG 4.2Å; K116-Y121 PolarHBondContact O-N 3.21Å; K116-Y147 WeakPolarHBondContact CE-OH 3.35Å; K116-Y147 PolarHBondContact NZ-OH 2.79Å; K116-E152 IonicContact NZ-OE1 2.83Å; K116-E152 PolarHBondContact NZ-OE1 3.39Å; K116-E152 IonicContact NZ-OE2 3.86Å; K116-E152 PolarHBondContact NZ-OE2 2.85Å; K116-E152 VanDerWaalsContact NZ-OE2 3.09Å
117E97.2Very high96.7Very high128 Ų12869.5 Ų69.560%0.59835%0.349SS*.Hα-helixtrans-66.6-50176.6-70.1176-178.800111.9K113 F115 W119 N120K113-E117 WeakPolarHBondContact CE-OE1 3.34Å; K113-E117 WeakPolarHBondContact O-CG 3.32Å; K113-E117 PolarHBondContact O-N 3.5Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.04Å; E117-W119 VanDerWaalsContact C-N 3.35Å; E117-W119 PolarHBondContact O-N 3.2Å; E117-N120 PolarHBondContact O-N 2.91Å
118H96.9Very high96.7Very high135 Ų13566 Ų6663%0.62533%0.333SS*.Hα-helixtrans-61.7-41.3-176.9-176.779.7000112.7A114 F115A114-H118 WeakPolarHBondContact O-CB 3.46Å; A114-H118 PolarHBondContact O-N 3.32Å; F115-H118 PolarHBondContact O-N 3.37Å
119W95.1Very high96.7Very high80 Ų8065.9 Ų65.930%0.30333%0.332SS..THydrogen-bonded Turntrans-91.92.9-178.9-67.7100.9000113.6K65 F115 E117 Y121K65-W119 HydrophobicContact CB-CD2 4.48Å; K65-W119 HydrophobicContact CB-CZ2 4.2Å; K65-W119 HydrophobicContact CD-CD2 4.38Å; K65-W119 HydrophobicContact CD-CE3 4.36Å; K65-W119 HydrophobicContact CD-CH2 3.68Å; K65-W119 HydrophobicContact CD-CZ2 3.63Å; K65-W119 HydrophobicContact CD-CZ3 4.04Å; K65-W119 HydrophobicContact CG-CD2 4.15Å; K65-W119 HydrophobicContact CG-CE3 4.46Å; K65-W119 HydrophobicContact CG-CH2 4.45Å; K65-W119 HydrophobicContact CG-CZ2 4.09Å; K65-W119 VanDerWaalsContact NZ-CH2 3.33Å; F115-W119 AromaticContact CD2-CD1 3.54Å; F115-W119 AromaticContact CD2-NE1 3.96Å; F115-W119 AromaticContact CE2-CD1 3.51Å; F115-W119 HydrophobicContact CE2-CG 4.34Å; F115-W119 AromaticContact CE2-NE1 3.87Å; F115-W119 HydrophobicContact CZ-CG 4.49Å; F115-W119 PolarHBondContact O-N 3.29Å; E117-W119 VanDerWaalsContact C-N 3.35Å; E117-W119 PolarHBondContact O-N 3.2Å; W119-Y121 PolarHBondContact O-N 3.02Å
120N95.5Very high96.7Very high145 Ų14563.4 Ų63.478%0.77532%0.32SS*.THydrogen-bonded Turntrans44.948.5-171.3-172.857.3000111.5K116 E117K116-N120 WeakPolarHBondContact O-CA 3.15Å; K116-N120 PolarHBondContact O-N 3.21Å; K116-N120 VanDerWaalsContact O-N 3.12Å; E117-N120 PolarHBondContact O-N 2.91Å
121Y96.9Very high96.8Very high32 Ų3258.5 Ų58.513%0.12530%0.297CS..  trans-59.9138.5-166.5173.3-100.4000112.5R20 T24 P25 F115 K116 W119 D125R20-Y121 VanDerWaalsContact NH2-CE2 3.27Å; R20-Y121 PolarHBondContact NH2-OH 3.45Å; T24-Y121 PolarHBondContact O-OH 3.3Å; P25-Y121 HydrophobicContact CB-CD2 4.35Å; P25-Y121 HydrophobicContact CB-CE1 4.45Å; P25-Y121 HydrophobicContact CB-CE2 3.8Å; P25-Y121 HydrophobicContact CG-CE1 4.32Å; P25-Y121 VanDerWaalsContact N-OH 3.12Å; F115-Y121 HydrophobicContact CE1-CD2 4.07Å; F115-Y121 HydrophobicContact CE1-CG 4.38Å; K116-Y121 HydrophobicContact CD-CD1 4.29Å; K116-Y121 HydrophobicContact CG-CD1 3.9Å; K116-Y121 HydrophobicContact CG-CG 4.2Å; K116-Y121 PolarHBondContact O-N 3.21Å; W119-Y121 PolarHBondContact O-N 3.02Å; Y121-D125 HydrophobicContact CD2-CB 4.18Å; Y121-D125 HydrophobicContact CE2-CB 4.24Å
122S95.5Very high96.8Very high52 Ų5255.7 Ų55.736%0.36428%0.284SS..  trans-129.9157.116772.20000111D124 D125S122-D124 PolarHBondContact O-N 3.24Å; S122-D124 VanDerWaalsContact O-N 3.11Å; S122-D125 WeakPolarHBondContact O-CB 3.42Å; S122-D125 PolarHBondContact O-N 3.06Å
123P92.3Very high96.8Very high74 Ų7456.2 Ų56.248%0.48129%0.287SS..THydrogen-bonded Turntrans-54-29.6178.8-30.438.1000115.2
124D91.4Very high96.8Very high155 Ų15553 Ų5383%0.82928%0.276SS*.THydrogen-bonded Turntrans-85.9-6.4180-61-43000113.4S122S122-D124 PolarHBondContact O-N 3.24Å; S122-D124 VanDerWaalsContact O-N 3.11Å
125D92.7Very high96.8Very high54 Ų5452.9 Ų52.929%0.28927%0.269SS..  trans-70.7141.5179.2-161.9-50.8000111.1R20 Y121 S122 A127R20-D125 PolarHBondContact NH1-O 3.47Å; R20-D125 PolarHBondContact NH2-O 3.47Å; Y121-D125 HydrophobicContact CD2-CB 4.18Å; Y121-D125 HydrophobicContact CE2-CB 4.24Å; S122-D125 WeakPolarHBondContact O-CB 3.42Å; S122-D125 PolarHBondContact O-N 3.06Å; D125-A127 PolarHBondContact O-N 3.26Å; D125-A127 WeakPolarHBondContact OD1-CB 3.46Å; D125-A127 PolarHBondContact OD1-N 3.14Å
126E96.5Very high96.8Very high123 Ų12352.8 Ų52.858%0.57527%0.269SS*.  trans-70.9-17.7174.4-61.8-179.8174.700113.1H62 N63 A128H62-E126 CarbonylContact C-O 3.56Å; H62-E126 WeakPolarHBondContact CA-O 3.19Å; N63-E126 PolarHBondContact N-O 3.08Å; E126-A128 PolarHBondContact O-N 2.95Å
127A98.1Very high96.8Very high2 Ų250.7 Ų50.72%0.01726%0.259CS..EExtended strand (participates in β ladder)trans-59.7127-179.600000111.4R20 N63 K65 F115 D125R20-A127 PolarHBondContact NH2-O 2.91Å; R20-A127 VanDerWaalsContact NH2-O 3.08Å; N63-A127 WeakPolarHBondContact O-CA 3.24Å; K65-A127 HydrophobicContact CG-CB 3.81Å; F115-A127 HydrophobicContact CZ-CB 4.06Å; D125-A127 PolarHBondContact O-N 3.26Å; D125-A127 WeakPolarHBondContact OD1-CB 3.46Å; D125-A127 PolarHBondContact OD1-N 3.14Å
128A98.5Very high96.9Very high0 Ų045.6 Ų45.60%024%0.236CC..EExtended strand (participates in β ladder)trans-129.5148-175.900000112.5P25 I27 H62 N63 K65 M66 E126P25-A128 CarbonylContact O-C 3.32Å; P25-A128 VanDerWaalsContact O-CA 3.29Å; P25-A128 WeakPolarHBondContact O-CA 3.4Å; I27-A128 HydrophobicContact CD1-CB 3.63Å; I27-A128 HydrophobicContact CG1-CB 4.18Å; H62-A128 HydrophobicContact CB-CB 4.28Å; N63-A128 PolarHBondContact O-N 2.65Å; K65-A128 PolarHBondContact N-O 2.82Å; M66-A128 PolarHBondContact N-O 3Å; E126-A128 PolarHBondContact O-N 2.95Å
129I98.8Very high96.9Very high0 Ų040.3 Ų40.30%021%0.211CC..EExtended strand (participates in β ladder)trans-101.5114.2166.3-57.2171.5000107.4P25 F26 I27 M66 I68 V112 F115 V131P25-I129 HydrophobicContact CB-CD1 4.19Å; P25-I129 HydrophobicContact CB-CG1 4.07Å; P25-I129 HydrophobicContact CG-CD1 3.87Å; P25-I129 HydrophobicContact CG-CG1 4.3Å; P25-I129 PolarHBondContact O-N 3.26Å; F26-I129 WeakPolarHBondContact CA-O 3.31Å; F26-I129 HydrophobicContact CD1-CB 4.23Å; F26-I129 HydrophobicContact CD1-CG2 4.45Å; F26-I129 HydrophobicContact CE1-CD1 4.07Å; I27-I129 PolarHBondContact N-O 3.03Å; M66-I129 HydrophobicContact CB-CG1 4.32Å; M66-I129 HydrophobicContact CB-CG2 4.44Å; M66-I129 HydrophobicContact CG-CG2 4.46Å; M66-I129 WeakPolarHBondContact O-CA 3.46Å; I68-I129 HydrophobicContact CD1-CG2 3.68Å; I68-I129 HydrophobicContact CG1-CG2 3.85Å; V112-I129 HydrophobicContact CB-CD1 4.37Å; V112-I129 HydrophobicContact CG1-CD1 4.01Å; V112-I129 HydrophobicContact CG2-CD1 4.08Å; F115-I129 HydrophobicContact CB-CD1 4.01Å; F115-I129 HydrophobicContact CB-CG1 4.5Å; F115-I129 HydrophobicContact CD1-CD1 3.56Å; F115-I129 HydrophobicContact CD1-CG1 3.73Å; F115-I129 HydrophobicContact CD2-CD1 4.15Å; F115-I129 HydrophobicContact CD2-CG1 3.72Å; F115-I129 HydrophobicContact CE1-CD1 4.04Å; F115-I129 HydrophobicContact CE1-CG1 3.77Å; F115-I129 HydrophobicContact CE2-CG1 3.72Å; F115-I129 HydrophobicContact CG-CD1 3.63Å; F115-I129 HydrophobicContact CG-CG1 3.71Å; F115-I129 HydrophobicContact CZ-CD1 4.5Å; F115-I129 HydrophobicContact CZ-CG1 3.76Å; I129-V131 HydrophobicContact CG2-CG2 3.84Å
130C98.9Very high97.1Very high0 Ų036.5 Ų36.50%020%0.196CC..EExtended strand (participates in β ladder)trans-85.7116.2170175.70000109.7I27 S29 L53 I57 V64 M66 V67 I68I27-C130 WeakPolarHBondContact O-CA 3.43Å; S29-C130 WeakPolarHBondContact CB-SG 3.18Å; L53-C130 HydrophobicContact CD2-CB 4.15Å; I57-C130 HydrophobicContact CD1-CB 4.31Å; V64-C130 HydrophobicContact CG1-CB 4Å; V64-C130 HydrophobicContact CG2-CB 4.46Å; M66-C130 PolarHBondContact O-N 3.18Å; V67-C130 CarbonylContact C-O 3.41Å; V67-C130 WeakPolarHBondContact CA-O 3.37Å; V67-C130 HydrophobicContact CG2-CB 4.16Å; I68-C130 PolarHBondContact N-O 3.29Å
131V99Very high97.3Very high0 Ų029.6 Ų29.60%016%0.159CC..EExtended strand (participates in β ladder)trans-106.5126.9178.3-1740000108.9F26 I27 S29 I68 L70 F108 I129 T140 I144F26-V131 HydrophobicContact CD1-CG2 3.93Å; F26-V131 HydrophobicContact CE1-CG2 4.44Å; I27-V131 PolarHBondContact O-N 3.43Å; S29-V131 PolarHBondContact N-O 2.98Å; I68-V131 HydrophobicContact CB-CG1 4.44Å; I68-V131 HydrophobicContact CB-CG2 4.39Å; I68-V131 HydrophobicContact CD1-CG2 4.47Å; L70-V131 HydrophobicContact CD1-CG1 3.67Å; L70-V131 HydrophobicContact CG-CG1 4.15Å; F108-V131 HydrophobicContact CE2-CG1 3.9Å; F108-V131 HydrophobicContact CE2-CG2 3.99Å; F108-V131 HydrophobicContact CZ-CG1 4.5Å; F108-V131 HydrophobicContact CZ-CG2 4.09Å; I129-V131 HydrophobicContact CG2-CG2 3.84Å; V131-T140 HydrophobicContact CB-CG2 4.16Å; V131-T140 HydrophobicContact CG1-CG2 4.12Å; V131-T140 WeakPolarHBondContact O-CG2 3.01Å; V131-I144 HydrophobicContact CB-CD1 4.06Å; V131-I144 HydrophobicContact CB-CG1 4.37Å; V131-I144 HydrophobicContact CG2-CD1 4.22Å; V131-I144 HydrophobicContact CG2-CG1 4.21Å
132H98.9Very high97.3Very high0 Ų028 Ų280%015%0.153CC..EExtended strand (participates in β ladder)trans-135151.8178.176.188.8000114.1S29 T31 I68 N69 L70 Y77 T140S29-H132 WeakPolarHBondContact O-CA 3.35Å; S29-H132 WeakPolarHBondContact O-CB 3.44Å; T31-H132 WeakPolarHBondContact CA-ND1 3.35Å; I68-H132 PolarHBondContact O-N 3.43Å; N69-H132 WeakPolarHBondContact CB-NE2 3.33Å; N69-H132 PolarHBondContact OD1-CE1 2.93Å; L70-H132 WeakPolarHBondContact CB-O 3.14Å; L70-H132 PolarHBondContact N-O 3.42Å; Y77-H132 AromaticContact CE1-CE1 3.88Å; Y77-H132 AromaticContact CZ-CE1 3.95Å; Y77-H132 AromaticContact CZ-NE2 3.86Å; Y77-H132 PolarHBondContact OH-CE1 3.5Å; Y77-H132 PolarHBondContact OH-NE2 3.27Å; H132-T140 WeakPolarHBondContact CA-OG1 3.16Å
133C98.2Very high97.5Very high10 Ų1025.7 Ų25.77%0.06814%0.136CC..EExtended strand (participates in β ladder)trans-125.7-160.9162.974.30000108.1K30 T31 L70 H135 G136 R139 T140K30-C133 CarbonylContact C-O 3.59Å; T31-C133 WeakPolarHBondContact CB-O 3.27Å; T31-C133 PolarHBondContact N-O 2.89Å; L70-C133 HydrophobicContact CB-CB 4.2Å; C133-H135 VanDerWaalsContact C-N 3.34Å; C133-H135 PolarHBondContact O-N 3.44Å; C133-G136 PolarHBondContact SG-N 2.95Å; C133-R139 HydrophobicContact CB-CB 3.81Å; C133-T140 PolarHBondContact N-OG1 3.37Å; C133-T140 PolarHBondContact SG-OG1 3.47Å
134T97.8Very high97.8Very high35 Ų3522.1 Ų22.122%0.21511%0.114CC..SBendtrans-57.9-45.5-179-55.50000112.5P8 T31P8-T134 HydrophobicContact CB-CG2 3.43Å; P8-T134 VanDerWaalsContact CB-CG2 3.43Å; P8-T134 HydrophobicContact CG-CG2 3.56Å; T31-T134 PolarHBondContact N-O 2.65Å
135H98.1Very high98.1Very high39 Ų3914.8 Ų14.818%0.1817%0.074CC..SBendtrans-113.2-9.6-177.2-55.2104.4000113.2D9 Y14 K30 C133 V137 R167D9-H135 PolarHBondContact O-NE2 3.43Å; Y14-H135 HydrophobicContact CD1-CB 4.2Å; Y14-H135 HydrophobicContact CD2-CB 3.9Å; Y14-H135 AromaticContact CD2-CD2 3.5Å; Y14-H135 VanDerWaalsContact CD2-CD2 3.5Å; Y14-H135 WeakPolarHBondContact CD2-CD2 3.42Å; Y14-H135 HydrophobicContact CE1-CB 4.13Å; Y14-H135 HydrophobicContact CE2-CB 3.84Å; Y14-H135 AromaticContact CE2-CD2 3.27Å; Y14-H135 WeakPolarHBondContact CE2-CD2 3.49Å; Y14-H135 AromaticContact CE2-CG 3.69Å; Y14-H135 HydrophobicContact CG-CB 4.09Å; K30-H135 WeakPolarHBondContact CB-O 3.37Å; C133-H135 VanDerWaalsContact C-N 3.34Å; C133-H135 PolarHBondContact O-N 3.44Å; H135-V137 VanDerWaalsContact C-N 3.33Å; H135-R167 PolarHBondContact O-NH2 2.61Å
136G98.4Very high98.3Very high0 Ų012.5 Ų12.50%06%0.062CC..SBendtrans75.220.3-17900000114.9S29 C133 T140 R167S29-G136 WeakPolarHBondContact O-CA 3.5Å; C133-G136 PolarHBondContact SG-N 2.95Å; G136-T140 WeakPolarHBondContact CA-OG1 3.15Å; G136-R167 WeakPolarHBondContact O-CD 2.89Å; G136-R167 PolarHBondContact O-NE 3.08Å
137V98.5Very high98.4Very high0 Ų07.2 Ų7.20%04%0.036CC..SBendtrans-114.9-79-174.3-178.50000110Y14 H135 G141 H169 K170Y14-V137 HydrophobicContact CD1-CG2 3.67Å; Y14-V137 HydrophobicContact CE1-CG2 3.63Å; H135-V137 VanDerWaalsContact C-N 3.33Å; V137-G141 WeakPolarHBondContact O-CA 3.42Å; V137-G141 PolarHBondContact O-N 2.81Å; V137-H169 HydrophobicContact CG2-CB 3.71Å; V137-K170 WeakPolarHBondContact CG1-O 3.25Å
138N98.2Very high98.3Very high22 Ų227.2 Ų7.212%0.1184%0.036CC..Hα-helixtrans-67-61.5-167.7-64.9-59.2000114.4Y142 F171 T172 R173 L176N138-Y142 WeakPolarHBondContact O-CB 3.49Å; N138-Y142 PolarHBondContact O-N 3.27Å; N138-F171 WeakPolarHBondContact O-CE1 3.47Å; N138-T172 PolarHBondContact ND2-OG1 3.06Å; N138-T172 PolarHBondContact OD1-N 2.87Å; N138-T172 PolarHBondContact OD1-OG1 2.9Å; N138-R173 HydrophobicContact CB-CB 4.45Å; N138-R173 HydrophobicContact CB-CG 4.07Å; N138-R173 VanDerWaalsContact CG-CG 3.44Å; N138-R173 WeakPolarHBondContact OD1-CG 3.46Å; N138-R173 PolarHBondContact OD1-N 3.36Å; N138-R173 VanDerWaalsContact OD1-N 3.14Å; N138-L176 HydrophobicContact CB-CD1 3.82Å
139R98.3Very high98.2Very high23 Ų237.4 Ų7.49%0.0874%0.037CC..Hα-helixtrans-67.8-42.9179.9-67.9-59.4-165.1-1513.5111.7L70 V94 P95 P98 C133 G141 Y142 F143L70-R139 HydrophobicContact CD1-CB 4.33Å; V94-R139 HydrophobicContact CG1-CG 4.46Å; P95-R139 PolarHBondContact O-NE 3.44Å; P95-R139 PolarHBondContact O-NH2 3.03Å; P98-R139 VanDerWaalsContact O-CZ 3.31Å; P98-R139 PolarHBondContact O-NH1 3.13Å; P98-R139 PolarHBondContact O-NH2 2.94Å; C133-R139 HydrophobicContact CB-CB 3.81Å; R139-G141 PolarHBondContact O-N 3.44Å; R139-Y142 PolarHBondContact O-N 3.47Å; R139-F143 VanDerWaalsContact O-CD2 3.24Å; R139-F143 WeakPolarHBondContact O-CD2 3.46Å; R139-F143 PolarHBondContact O-N 2.9Å
140T98.8Very high98Very high0 Ų08 Ų80%04%0.041CC..Hα-helixtrans-53.9-54175.4-61.30000111.5P28 V131 H132 C133 G136 Y142 I144 F163P28-T140 HydrophobicContact CB-CG2 3.52Å; V131-T140 HydrophobicContact CB-CG2 4.16Å; V131-T140 HydrophobicContact CG1-CG2 4.12Å; V131-T140 WeakPolarHBondContact O-CG2 3.01Å; H132-T140 WeakPolarHBondContact CA-OG1 3.16Å; C133-T140 PolarHBondContact N-OG1 3.37Å; C133-T140 PolarHBondContact SG-OG1 3.47Å; G136-T140 WeakPolarHBondContact CA-OG1 3.15Å; T140-Y142 PolarHBondContact O-N 2.88Å; T140-I144 HydrophobicContact CG2-CD1 3.85Å; T140-I144 WeakPolarHBondContact O-CB 3.33Å; T140-I144 WeakPolarHBondContact O-CG1 3.39Å; T140-I144 PolarHBondContact O-N 2.91Å; T140-I144 VanDerWaalsContact O-N 3.13Å; T140-F163 HydrophobicContact CG2-CE2 4.19Å; T140-F163 HydrophobicContact CG2-CZ 4.41Å
141G98.7Very high97.8Very high0 Ų010.9 Ų10.90%06%0.058CC..Hα-helixtrans-63.9-41.9178.400000112.6V137 R139 F143 I144 C145 F171V137-G141 WeakPolarHBondContact O-CA 3.42Å; V137-G141 PolarHBondContact O-N 2.81Å; R139-G141 PolarHBondContact O-N 3.44Å; G141-F143 PolarHBondContact O-N 2.86Å; G141-I144 PolarHBondContact O-N 3.21Å; G141-C145 WeakPolarHBondContact O-CB 3.43Å; G141-C145 PolarHBondContact O-N 3.02Å; G141-C145 PolarHBondContact O-SG 3.34Å; G141-F171 VanDerWaalsContact C-CZ 3.43Å
142Y98.5Very high97.5Very high0 Ų014.8 Ų14.80%08%0.076CC..Hα-helixtrans-58.4-48.3179.3174.5-93.1000112.6V99 P100 R105 N138 R139 T140 K146 L176 D179 I180V99-Y142 HydrophobicContact CG1-CE2 4.12Å; V99-Y142 WeakPolarHBondContact CG1-OH 3.2Å; P100-Y142 HydrophobicContact CB-CE1 4.05Å; P100-Y142 HydrophobicContact CG-CD1 3.68Å; P100-Y142 HydrophobicContact CG-CE1 3.44Å; P100-Y142 VanDerWaalsContact CG-CE1 3.44Å; R105-Y142 HydrophobicContact CG-CE1 4.27Å; R105-Y142 PolarHBondContact NH1-OH 3.36Å; N138-Y142 WeakPolarHBondContact O-CB 3.49Å; N138-Y142 PolarHBondContact O-N 3.27Å; R139-Y142 PolarHBondContact O-N 3.47Å; T140-Y142 PolarHBondContact O-N 2.88Å; Y142-K146 HydrophobicContact CD2-CG 4.14Å; Y142-K146 HydrophobicContact CE1-CG 4.16Å; Y142-K146 HydrophobicContact CE2-CD 4.23Å; Y142-K146 HydrophobicContact CE2-CG 3.73Å; Y142-K146 WeakPolarHBondContact O-CB 3.36Å; Y142-K146 WeakPolarHBondContact O-CG 3.5Å; Y142-K146 PolarHBondContact O-N 3.13Å; Y142-L176 HydrophobicContact CD2-CB 4.02Å; Y142-L176 HydrophobicContact CD2-CD2 3.74Å; Y142-L176 HydrophobicContact CD2-CG 4.38Å; Y142-L176 HydrophobicContact CE2-CD2 4.14Å; Y142-L176 HydrophobicContact CG-CD2 4.09Å; Y142-D179 HydrophobicContact CE2-CB 4.22Å; Y142-D179 WeakPolarHBondContact CE2-OD2 3.48Å; Y142-D179 PolarHBondContact OH-OD2 2.95Å; Y142-I180 HydrophobicContact CD2-CD1 4.23Å; Y142-I180 HydrophobicContact CD2-CG1 3.98Å; Y142-I180 HydrophobicContact CE2-CG1 4.43Å
143F98.7Very high97.3Very high2 Ų217.6 Ų17.61%0.00911%0.105CC..Hα-helixtrans-68.2-43.6-179-82.6-101.1000112.2L70 V94 P100 F104 R105 F108 R139 G141 Y147L70-F143 HydrophobicContact CD1-CB 4.07Å; L70-F143 HydrophobicContact CD1-CD2 3.87Å; L70-F143 HydrophobicContact CD1-CG 3.99Å; L70-F143 HydrophobicContact CD2-CD1 4.41Å; L70-F143 HydrophobicContact CD2-CG 4.38Å; V94-F143 HydrophobicContact CB-CE2 4.42Å; V94-F143 HydrophobicContact CB-CZ 4.42Å; V94-F143 HydrophobicContact CG1-CE2 3.89Å; V94-F143 HydrophobicContact CG1-CZ 4.02Å; V94-F143 HydrophobicContact CG2-CE1 4.32Å; V94-F143 HydrophobicContact CG2-CE2 3.8Å; V94-F143 HydrophobicContact CG2-CZ 3.49Å; V94-F143 VanDerWaalsContact CG2-CZ 3.49Å; P100-F143 HydrophobicContact CB-CE2 3.99Å; P100-F143 HydrophobicContact CB-CZ 3.85Å; P100-F143 HydrophobicContact CG-CE2 3.67Å; P100-F143 HydrophobicContact CG-CZ 4.07Å; F104-F143 HydrophobicContact CB-CE1 3.91Å; F104-F143 HydrophobicContact CB-CZ 3.78Å; F104-F143 WeakPolarHBondContact O-CE1 3.36Å; R105-F143 HydrophobicContact CG-CE1 4.28Å; F108-F143 HydrophobicContact CB-CD1 3.61Å; F108-F143 HydrophobicContact CB-CE1 4.09Å; F108-F143 HydrophobicContact CD1-CB 4.37Å; F108-F143 HydrophobicContact CD1-CD1 4.35Å; F108-F143 HydrophobicContact CD2-CB 4.04Å; F108-F143 AromaticContact CD2-CD1 3.86Å; F108-F143 HydrophobicContact CD2-CD1 3.86Å; F108-F143 HydrophobicContact CD2-CG 4.32Å; F108-F143 HydrophobicContact CE1-CB 4.34Å; F108-F143 HydrophobicContact CE2-CB 4.02Å; F108-F143 HydrophobicContact CG-CB 4.23Å; F108-F143 AromaticContact CG-CD1 3.68Å; F108-F143 HydrophobicContact CG-CD1 3.68Å; F108-F143 HydrophobicContact CG-CG 4.42Å; F108-F143 HydrophobicContact CZ-CB 4.18Å; R139-F143 VanDerWaalsContact O-CD2 3.24Å; R139-F143 WeakPolarHBondContact O-CD2 3.46Å; R139-F143 PolarHBondContact O-N 2.9Å; G141-F143 PolarHBondContact O-N 2.86Å; F143-Y147 WeakPolarHBondContact O-CB 3.41Å; F143-Y147 PolarHBondContact O-N 2.99Å; F143-Y147 VanDerWaalsContact O-N 3.08Å
144I98.8Very high97.2Very high0 Ų020.6 Ų20.60%012%0.115CC..Hα-helixtrans-61.4-51.7175.9-70.2169.3000110.7I21 F26 P28 F108 V131 T140 G141 Y147 L148 F163I21-I144 HydrophobicContact CD1-CG2 3.57Å; F26-I144 HydrophobicContact CB-CD1 4.03Å; F26-I144 HydrophobicContact CB-CG1 4.27Å; F26-I144 HydrophobicContact CB-CG2 4.31Å; F26-I144 HydrophobicContact CD1-CG1 4.18Å; F26-I144 HydrophobicContact CD2-CG2 3.97Å; F26-I144 HydrophobicContact CG-CD1 4.4Å; F26-I144 HydrophobicContact CG-CG1 4.11Å; F26-I144 HydrophobicContact CG-CG2 4.19Å; P28-I144 HydrophobicContact CB-CD1 4.16Å; F108-I144 HydrophobicContact CZ-CG1 4.42Å; V131-I144 HydrophobicContact CB-CD1 4.06Å; V131-I144 HydrophobicContact CB-CG1 4.37Å; V131-I144 HydrophobicContact CG2-CD1 4.22Å; V131-I144 HydrophobicContact CG2-CG1 4.21Å; T140-I144 HydrophobicContact CG2-CD1 3.85Å; T140-I144 WeakPolarHBondContact O-CB 3.33Å; T140-I144 WeakPolarHBondContact O-CG1 3.39Å; T140-I144 PolarHBondContact O-N 2.91Å; T140-I144 VanDerWaalsContact O-N 3.13Å; G141-I144 PolarHBondContact O-N 3.21Å; I144-Y147 PolarHBondContact O-N 2.95Å; I144-L148 HydrophobicContact CG2-CD1 3.74Å; I144-L148 HydrophobicContact CG2-CG 4.33Å; I144-L148 WeakPolarHBondContact O-CG 3.49Å; I144-L148 PolarHBondContact O-N 3.26Å; I144-F163 HydrophobicContact CD1-CD2 4.46Å; I144-F163 HydrophobicContact CD1-CE2 4.16Å
145C98.4Very high97.1Very high0 Ų023.5 Ų23.50%013%0.127CC..Hα-helixtrans-65.2-44-175.8-64.40000111.6G141 Y147 L148 V149 V159 I180G141-C145 WeakPolarHBondContact O-CB 3.43Å; G141-C145 PolarHBondContact O-N 3.02Å; G141-C145 PolarHBondContact O-SG 3.34Å; C145-Y147 VanDerWaalsContact C-N 3.33Å; C145-Y147 PolarHBondContact O-N 3.45Å; C145-L148 PolarHBondContact O-N 2.83Å; C145-V149 VanDerWaalsContact O-CG2 3.31Å; C145-V149 WeakPolarHBondContact O-CG2 3.23Å; C145-V149 PolarHBondContact O-N 2.95Å; C145-V159 HydrophobicContact CB-CG1 3.9Å; C145-V159 HydrophobicContact CB-CG2 4.21Å; C145-I180 HydrophobicContact CB-CD1 3.85Å; C145-I180 HydrophobicContact CB-CG1 4.17Å; C145-I180 HydrophobicContact CB-CG2 3.93Å
146K97Very high97Very high6 Ų622.2 Ų22.23%0.02612%0.123CC..Hα-helixtrans-60.3-42.9175.9-76.3-67.6-65.5179.20111.6Y142 V149 N150 I180 S183 E187Y142-K146 HydrophobicContact CD2-CG 4.14Å; Y142-K146 HydrophobicContact CE1-CG 4.16Å; Y142-K146 HydrophobicContact CE2-CD 4.23Å; Y142-K146 HydrophobicContact CE2-CG 3.73Å; Y142-K146 WeakPolarHBondContact O-CB 3.36Å; Y142-K146 WeakPolarHBondContact O-CG 3.5Å; Y142-K146 PolarHBondContact O-N 3.13Å; K146-V149 PolarHBondContact O-N 2.83Å; K146-N150 WeakPolarHBondContact CE-OD1 3.29Å; K146-N150 PolarHBondContact NZ-OD1 2.83Å; K146-N150 WeakPolarHBondContact O-CB 3.5Å; K146-N150 PolarHBondContact O-N 3.11Å; K146-N150 PolarHBondContact O-OD1 2.87Å; K146-I180 HydrophobicContact CD-CG1 4.25Å; K146-I180 HydrophobicContact CG-CG1 4.19Å; K146-S183 VanDerWaalsContact CD-OG 3.32Å; K146-S183 WeakPolarHBondContact CD-OG 2.95Å; K146-S183 PolarHBondContact NZ-OG 2.89Å; K146-E187 IonicContact NZ-OE2 3.62Å
147Y97.5Very high96.9Very high12 Ų1227.1 Ų27.15%0.04715%0.145CC..Hα-helixtrans-60.6-50.3175.6173.5-91.2000111.6F26 F108 M109 V112 K116 F143 I144 C145 V149 N150 V151 E152F26-Y147 AromaticContact CE2-CD1 3.57Å; F26-Y147 HydrophobicContact CE2-CD1 3.57Å; F26-Y147 AromaticContact CE2-CE1 3.79Å; F26-Y147 HydrophobicContact CE2-CE1 3.79Å; F26-Y147 AromaticContact CZ-CD1 3.54Å; F26-Y147 HydrophobicContact CZ-CD1 3.54Å; F26-Y147 AromaticContact CZ-CE1 3.71Å; F26-Y147 HydrophobicContact CZ-CE1 3.71Å; F26-Y147 HydrophobicContact CZ-CG 4.25Å; F108-Y147 HydrophobicContact CE1-CG 4.25Å; M109-Y147 HydrophobicContact CB-CD2 4.3Å; M109-Y147 HydrophobicContact CG-CD2 4.21Å; M109-Y147 HydrophobicContact CG-CE2 4.13Å; V112-Y147 HydrophobicContact CB-CD2 4.47Å; V112-Y147 HydrophobicContact CB-CE2 3.92Å; V112-Y147 HydrophobicContact CG1-CE1 3.85Å; V112-Y147 HydrophobicContact CG1-CE2 3.81Å; V112-Y147 VanDerWaalsContact CG1-OH 3.3Å; V112-Y147 WeakPolarHBondContact CG1-OH 3.48Å; K116-Y147 WeakPolarHBondContact CE-OH 3.35Å; K116-Y147 PolarHBondContact NZ-OH 2.79Å; F143-Y147 WeakPolarHBondContact O-CB 3.41Å; F143-Y147 PolarHBondContact O-N 2.99Å; F143-Y147 VanDerWaalsContact O-N 3.08Å; I144-Y147 PolarHBondContact O-N 2.95Å; C145-Y147 VanDerWaalsContact C-N 3.33Å; C145-Y147 PolarHBondContact O-N 3.45Å; Y147-V149 VanDerWaalsContact C-N 3.3Å; Y147-V149 PolarHBondContact O-N 3.09Å; Y147-N150 PolarHBondContact O-N 2.84Å; Y147-V151 HydrophobicContact CD2-CB 4.06Å; Y147-V151 HydrophobicContact CD2-CG1 4.48Å; Y147-V151 HydrophobicContact CD2-CG2 3.77Å; Y147-V151 HydrophobicContact CE2-CB 3.92Å; Y147-V151 HydrophobicContact CE2-CG1 3.85Å; Y147-V151 HydrophobicContact CE2-CG2 3.95Å; Y147-V151 HydrophobicContact CG-CG2 4.45Å; Y147-V151 WeakPolarHBondContact O-CA 3.44Å; Y147-V151 VanDerWaalsContact O-CB 3.24Å; Y147-V151 WeakPolarHBondContact O-CB 3.22Å; Y147-V151 PolarHBondContact O-N 2.82Å; Y147-E152 HydrophobicContact CD1-CG 4.26Å; Y147-E152 HydrophobicContact CE1-CG 3.68Å; Y147-E152 PolarHBondContact OH-OE1 3.15Å
148L97.1Very high96.8Very high2 Ų230.2 Ų30.21%0.0116%0.16CC..Hα-helixtrans-63-35.2-178.3-69.4176000112.7I21 T24 F26 I144 C145 E152 G153 W154 V159I21-L148 HydrophobicContact CG2-CD1 4.44Å; T24-L148 HydrophobicContact CG2-CD1 4.15Å; T24-L148 HydrophobicContact CG2-CD2 3.62Å; F26-L148 HydrophobicContact CD2-CD1 4.5Å; F26-L148 HydrophobicContact CD2-CD2 4.22Å; F26-L148 HydrophobicContact CD2-CG 4.46Å; F26-L148 HydrophobicContact CE2-CD2 3.87Å; F26-L148 HydrophobicContact CE2-CG 4.23Å; I144-L148 HydrophobicContact CG2-CD1 3.74Å; I144-L148 HydrophobicContact CG2-CG 4.33Å; I144-L148 WeakPolarHBondContact O-CG 3.49Å; I144-L148 PolarHBondContact O-N 3.26Å; C145-L148 PolarHBondContact O-N 2.83Å; L148-E152 HydrophobicContact CD2-CB 4.36Å; L148-E152 HydrophobicContact CD2-CG 4.01Å; L148-E152 CarbonylContact O-C 3.43Å; L148-E152 WeakPolarHBondContact O-CA 3.14Å; L148-E152 WeakPolarHBondContact O-CB 3.27Å; L148-E152 PolarHBondContact O-N 3.49Å; L148-G153 PolarHBondContact O-N 2.95Å; L148-G153 VanDerWaalsContact O-N 3.11Å; L148-W154 HydrophobicContact CB-CB 4.26Å; L148-W154 HydrophobicContact CB-CD2 4.24Å; L148-W154 HydrophobicContact CB-CG 4.06Å; L148-W154 HydrophobicContact CD1-CD2 4.44Å; L148-W154 HydrophobicContact CD1-CE3 4.28Å; L148-W154 HydrophobicContact CD1-CZ3 4.38Å; L148-W154 WeakPolarHBondContact O-CB 3.37Å; L148-W154 PolarHBondContact O-N 2.94Å; L148-V159 HydrophobicContact CB-CG2 3.79Å; L148-V159 HydrophobicContact CD1-CG2 3.52Å; L148-V159 HydrophobicContact CG-CG2 4.29Å
149V96Very high96.8Very high4 Ų429.2 Ų29.22%0.02415%0.154CC..Hα-helixtrans-74.1-53.8175.9177.80000111.4C145 K146 Y147 G153 A156 V159C145-V149 VanDerWaalsContact O-CG2 3.31Å; C145-V149 WeakPolarHBondContact O-CG2 3.23Å; C145-V149 PolarHBondContact O-N 2.95Å; K146-V149 PolarHBondContact O-N 2.83Å; Y147-V149 VanDerWaalsContact C-N 3.3Å; Y147-V149 PolarHBondContact O-N 3.09Å; V149-G153 WeakPolarHBondContact O-CA 3.45Å; V149-G153 PolarHBondContact O-N 3.33Å; V149-A156 HydrophobicContact CG2-CB 4.18Å; V149-V159 HydrophobicContact CG2-CB 4.49Å; V149-V159 HydrophobicContact CG2-CG1 3.59Å
150N94.2Very high96.8Very high13 Ų1328.8 Ų28.87%0.0715%0.154CC..Hα-helixtrans-78.2-25.5-170.5-66.5137.1000113.8K146 Y147 D184 M188K146-N150 WeakPolarHBondContact CE-OD1 3.29Å; K146-N150 PolarHBondContact NZ-OD1 2.83Å; K146-N150 WeakPolarHBondContact O-CB 3.5Å; K146-N150 PolarHBondContact O-N 3.11Å; K146-N150 PolarHBondContact O-OD1 2.87Å; Y147-N150 PolarHBondContact O-N 2.84Å; N150-D184 PolarHBondContact ND2-O 3.04Å; N150-M188 HydrophobicContact CB-CB 4.43Å; N150-M188 HydrophobicContact CB-CG 3.99Å; N150-M188 HydrophobicContact CB-SD 3.74Å
151V94.1Very high96.8Very high61 Ų6134.7 Ų34.737%0.3718%0.176SC..THydrogen-bonded Turntrans-110.2-39.7-175-174.10000111.8M109 Y147M109-V151 HydrophobicContact CG-CG2 4.08Å; M109-V151 HydrophobicContact SD-CG2 3.7Å; Y147-V151 HydrophobicContact CD2-CB 4.06Å; Y147-V151 HydrophobicContact CD2-CG1 4.48Å; Y147-V151 HydrophobicContact CD2-CG2 3.77Å; Y147-V151 HydrophobicContact CE2-CB 3.92Å; Y147-V151 HydrophobicContact CE2-CG1 3.85Å; Y147-V151 HydrophobicContact CE2-CG2 3.95Å; Y147-V151 HydrophobicContact CG-CG2 4.45Å; Y147-V151 WeakPolarHBondContact O-CA 3.44Å; Y147-V151 VanDerWaalsContact O-CB 3.24Å; Y147-V151 WeakPolarHBondContact O-CB 3.22Å; Y147-V151 PolarHBondContact O-N 2.82Å
152E93.9Very high96.8Very high81 Ų8136.7 Ų36.738%0.37919%0.185SC..THydrogen-bonded Turntrans-101.9-0.6-176.2-51.5-72.2142.500113K116 Y147 L148 W154K116-E152 IonicContact NZ-OE1 2.83Å; K116-E152 PolarHBondContact NZ-OE1 3.39Å; K116-E152 IonicContact NZ-OE2 3.86Å; K116-E152 PolarHBondContact NZ-OE2 2.85Å; K116-E152 VanDerWaalsContact NZ-OE2 3.09Å; Y147-E152 HydrophobicContact CD1-CG 4.26Å; Y147-E152 HydrophobicContact CE1-CG 3.68Å; Y147-E152 PolarHBondContact OH-OE1 3.15Å; L148-E152 HydrophobicContact CD2-CB 4.36Å; L148-E152 HydrophobicContact CD2-CG 4.01Å; L148-E152 CarbonylContact O-C 3.43Å; L148-E152 WeakPolarHBondContact O-CA 3.14Å; L148-E152 WeakPolarHBondContact O-CB 3.27Å; L148-E152 PolarHBondContact O-N 3.49Å; E152-W154 VanDerWaalsContact C-N 3.35Å; E152-W154 PolarHBondContact O-N 3.35Å
153G93.9Very high96.8Very high59 Ų5936.8 Ų36.861%0.60819%0.186SC*.  trans70.823174.400000115.2L148 V149L148-G153 PolarHBondContact O-N 2.95Å; L148-G153 VanDerWaalsContact O-N 3.11Å; V149-G153 WeakPolarHBondContact O-CA 3.45Å; V149-G153 PolarHBondContact O-N 3.33Å
154W95.8Very high96.8Very high73 Ų7338.7 Ų38.728%0.27720%0.195SC..  trans-70.7148.9177.7-72.540.2000111.5I21 P22 T24 L148 E152 V159I21-W154 HydrophobicContact CG2-CH2 4Å; I21-W154 HydrophobicContact CG2-CZ3 4.15Å; P22-W154 VanDerWaalsContact O-CH2 3.32Å; P22-W154 WeakPolarHBondContact O-CH2 3.43Å; T24-W154 HydrophobicContact CG2-CH2 3.76Å; T24-W154 HydrophobicContact CG2-CZ2 3.54Å; L148-W154 HydrophobicContact CB-CB 4.26Å; L148-W154 HydrophobicContact CB-CD2 4.24Å; L148-W154 HydrophobicContact CB-CG 4.06Å; L148-W154 HydrophobicContact CD1-CD2 4.44Å; L148-W154 HydrophobicContact CD1-CE3 4.28Å; L148-W154 HydrophobicContact CD1-CZ3 4.38Å; L148-W154 WeakPolarHBondContact O-CB 3.37Å; L148-W154 PolarHBondContact O-N 2.94Å; E152-W154 VanDerWaalsContact C-N 3.35Å; E152-W154 PolarHBondContact O-N 3.35Å; W154-V159 HydrophobicContact CB-CB 4.37Å; W154-V159 HydrophobicContact CE3-CB 4.1Å; W154-V159 HydrophobicContact CE3-CG2 3.91Å
155E95.6Very high96.8Very high97 Ų9745.6 Ų45.645%0.45323%0.227SC..  trans-70.8132173.5-167.1-80120.200110.5H157 E158 V159 R161E155-H157 VanDerWaalsContact CD-N 3.32Å; E155-H157 PolarHBondContact O-N 2.91Å; E155-H157 VanDerWaalsContact OE1-CB 3.31Å; E155-H157 WeakPolarHBondContact OE1-CB 3.44Å; E155-H157 IonicContact OE1-CD2 3.16Å; E155-H157 PolarHBondContact OE1-CD2 3.24Å; E155-H157 VanDerWaalsContact OE1-CD2 3.32Å; E155-H157 IonicContact OE1-CG 3.53Å; E155-H157 PolarHBondContact OE1-N 3.03Å; E155-H157 WeakPolarHBondContact OE2-CB 3.48Å; E155-H157 PolarHBondContact OE2-N 3.22Å; E155-E158 HydrophobicContact CB-CB 4.24Å; E155-E158 PolarHBondContact O-N 2.99Å; E155-E158 WeakPolarHBondContact OE2-CB 3.2Å; E155-E158 PolarHBondContact OE2-N 2.85Å; E155-V159 PolarHBondContact O-N 3.44Å; E155-R161 IonicContact OE2-NH2 2.65Å
156A96.4Very high96.8Very high12 Ų1246 Ų4610%0.09923%0.23CC..Hα-helixtrans-62.7-41.9-169.300000113.7V149 V159 I160 L181V149-A156 HydrophobicContact CG2-CB 4.18Å; A156-V159 VanDerWaalsContact O-CG1 3.24Å; A156-V159 WeakPolarHBondContact O-CG1 3.18Å; A156-I160 WeakPolarHBondContact O-CD1 3.4Å; A156-I160 WeakPolarHBondContact O-CG1 3.48Å; A156-I160 PolarHBondContact O-N 3.14Å; A156-L181 HydrophobicContact CB-CD2 4.05Å
157H97Very high96.9Very high102 Ų10245.9 Ų45.947%0.47223%0.229SC..Hα-helixtrans-68.3-40.7176.7-69.2-85.2000111.9E155 I160 R161 L181E155-H157 VanDerWaalsContact CD-N 3.32Å; E155-H157 PolarHBondContact O-N 2.91Å; E155-H157 VanDerWaalsContact OE1-CB 3.31Å; E155-H157 WeakPolarHBondContact OE1-CB 3.44Å; E155-H157 IonicContact OE1-CD2 3.16Å; E155-H157 PolarHBondContact OE1-CD2 3.24Å; E155-H157 VanDerWaalsContact OE1-CD2 3.32Å; E155-H157 IonicContact OE1-CG 3.53Å; E155-H157 PolarHBondContact OE1-N 3.03Å; E155-H157 WeakPolarHBondContact OE2-CB 3.48Å; E155-H157 PolarHBondContact OE2-N 3.22Å; H157-I160 PolarHBondContact O-N 3.05Å; H157-R161 VanDerWaalsContact CB-NH1 3.34Å; H157-R161 WeakPolarHBondContact O-CG 3.3Å; H157-R161 PolarHBondContact O-N 3.44Å; H157-R161 VanDerWaalsContact O-N 3.07Å; H157-L181 HydrophobicContact CB-CD2 4.4Å; H157-L181 VanDerWaalsContact CE1-CD2 3.47Å; H157-L181 WeakPolarHBondContact CE1-CD2 3.23Å; H157-L181 WeakPolarHBondContact ND1-CD2 3.25Å
158E96.8Very high97Very high66 Ų6648 Ų4831%0.30825%0.254SS..Hα-helixtrans-65.4-43.6178-175.456.9-160.900112E155 I160 R161 Q162E155-E158 HydrophobicContact CB-CB 4.24Å; E155-E158 PolarHBondContact O-N 2.99Å; E155-E158 WeakPolarHBondContact OE2-CB 3.2Å; E155-E158 PolarHBondContact OE2-N 2.85Å; E158-I160 VanDerWaalsContact C-N 3.29Å; E158-I160 PolarHBondContact O-N 3.33Å; E158-R161 VanDerWaalsContact CA-NH2 3.29Å; E158-R161 PolarHBondContact O-N 3.03Å; E158-R161 IonicContact OE2-CZ 2.66Å; E158-R161 IonicContact OE2-NE 2.62Å; E158-R161 PolarHBondContact OE2-NE 2.85Å; E158-R161 IonicContact OE2-NH2 3.14Å; E158-R161 PolarHBondContact OE2-NH2 2.93Å; E158-Q162 HydrophobicContact CG-CG 4.18Å; E158-Q162 WeakPolarHBondContact O-CB 3.35Å; E158-Q162 VanDerWaalsContact O-CG 3.31Å; E158-Q162 WeakPolarHBondContact O-CG 3.4Å; E158-Q162 PolarHBondContact O-N 3.36Å; E158-Q162 VanDerWaalsContact OE1-CG 3.29Å; E158-Q162 WeakPolarHBondContact OE1-CG 3.4Å; E158-Q162 PolarHBondContact OE1-NE2 3.16Å
159V97.7Very high97Very high0 Ų049.9 Ų49.90%026%0.263CS..Hα-helixtrans-63.1-37.6178.575.40000111.9C145 L148 V149 W154 E155 A156 F163 I180C145-V159 HydrophobicContact CB-CG1 3.9Å; C145-V159 HydrophobicContact CB-CG2 4.21Å; L148-V159 HydrophobicContact CB-CG2 3.79Å; L148-V159 HydrophobicContact CD1-CG2 3.52Å; L148-V159 HydrophobicContact CG-CG2 4.29Å; V149-V159 HydrophobicContact CG2-CB 4.49Å; V149-V159 HydrophobicContact CG2-CG1 3.59Å; W154-V159 HydrophobicContact CB-CB 4.37Å; W154-V159 HydrophobicContact CE3-CB 4.1Å; W154-V159 HydrophobicContact CE3-CG2 3.91Å; E155-V159 PolarHBondContact O-N 3.44Å; A156-V159 VanDerWaalsContact O-CG1 3.24Å; A156-V159 WeakPolarHBondContact O-CG1 3.18Å; V159-F163 VanDerWaalsContact O-CB 3.27Å; V159-F163 WeakPolarHBondContact O-CB 3.31Å; V159-F163 PolarHBondContact O-N 2.99Å; V159-I180 HydrophobicContact CG1-CG2 4.37Å
160I98.6Very high97.2Very high14 Ų1457 Ų577%0.07229%0.294CS..Hα-helixtrans-64.2-47.3176.1-71160.5000109.6A156 H157 E158 F163 E164 F171 V177 I180 L181A156-I160 WeakPolarHBondContact O-CD1 3.4Å; A156-I160 WeakPolarHBondContact O-CG1 3.48Å; A156-I160 PolarHBondContact O-N 3.14Å; H157-I160 PolarHBondContact O-N 3.05Å; E158-I160 VanDerWaalsContact C-N 3.29Å; E158-I160 PolarHBondContact O-N 3.33Å; I160-F163 PolarHBondContact O-N 2.92Å; I160-E164 HydrophobicContact CG2-CG 4.42Å; I160-E164 WeakPolarHBondContact O-CG 3.38Å; I160-E164 PolarHBondContact O-N 3.48Å; I160-F171 HydrophobicContact CG2-CD2 4.25Å; I160-F171 HydrophobicContact CG2-CE2 4.31Å; I160-V177 HydrophobicContact CD1-CG1 3.86Å; I160-I180 HydrophobicContact CD1-CB 4.06Å; I160-I180 HydrophobicContact CD1-CG2 3.73Å; I160-I180 HydrophobicContact CG1-CB 4.48Å; I160-I180 HydrophobicContact CG1-CD1 4.34Å; I160-I180 HydrophobicContact CG1-CG2 3.88Å; I160-L181 HydrophobicContact CD1-CD2 3.59Å; I160-L181 HydrophobicContact CD1-CG 3.8Å
161R98.5Very high97.4Very high124 Ų12457.4 Ų57.447%0.46830%0.295SS..Hα-helixtrans-57.9-50.3177.3-74.6-172.6-65.3-91.21.8111.6E155 H157 E158 F163 E164 Q165E155-R161 IonicContact OE2-NH2 2.65Å; H157-R161 VanDerWaalsContact CB-NH1 3.34Å; H157-R161 WeakPolarHBondContact O-CG 3.3Å; H157-R161 PolarHBondContact O-N 3.44Å; H157-R161 VanDerWaalsContact O-N 3.07Å; E158-R161 VanDerWaalsContact CA-NH2 3.29Å; E158-R161 PolarHBondContact O-N 3.03Å; E158-R161 IonicContact OE2-CZ 2.66Å; E158-R161 IonicContact OE2-NE 2.62Å; E158-R161 PolarHBondContact OE2-NE 2.85Å; E158-R161 IonicContact OE2-NH2 3.14Å; E158-R161 PolarHBondContact OE2-NH2 2.93Å; R161-F163 PolarHBondContact O-N 3.26Å; R161-E164 PolarHBondContact O-N 2.88Å; R161-Q165 WeakPolarHBondContact O-CB 3.31Å; R161-Q165 PolarHBondContact O-N 2.88Å
162Q98.5Very high97.5Very high43 Ų4358 Ų5820%0.20130%0.299CS..Hα-helixtrans-60.7-44.8179.3-71.8-67.7-27.300111.4E158 Q165 C166E158-Q162 HydrophobicContact CG-CG 4.18Å; E158-Q162 WeakPolarHBondContact O-CB 3.35Å; E158-Q162 VanDerWaalsContact O-CG 3.31Å; E158-Q162 WeakPolarHBondContact O-CG 3.4Å; E158-Q162 PolarHBondContact O-N 3.36Å; E158-Q162 VanDerWaalsContact OE1-CG 3.29Å; E158-Q162 WeakPolarHBondContact OE1-CG 3.4Å; E158-Q162 PolarHBondContact OE1-NE2 3.16Å; Q162-Q165 PolarHBondContact O-N 3.09Å; Q162-C166 WeakPolarHBondContact O-CB 3.35Å; Q162-C166 PolarHBondContact O-N 3.37Å; Q162-C166 PolarHBondContact O-SG 3.33Å
163F98.8Very high97.7Very high1 Ų160.5 Ų60.50%0.00431%0.305CS..Hα-helixtrans-59.7-50.8176.2173.5-92.2000111.7I21 P28 T140 I144 V159 I160 R161 Q165 C166 R167 F171I21-F163 HydrophobicContact CD1-CD2 4.01Å; P28-F163 HydrophobicContact CB-CE2 3.61Å; P28-F163 HydrophobicContact CB-CZ 4.23Å; P28-F163 HydrophobicContact CG-CE2 4.08Å; T140-F163 HydrophobicContact CG2-CE2 4.19Å; T140-F163 HydrophobicContact CG2-CZ 4.41Å; I144-F163 HydrophobicContact CD1-CD2 4.46Å; I144-F163 HydrophobicContact CD1-CE2 4.16Å; V159-F163 VanDerWaalsContact O-CB 3.27Å; V159-F163 WeakPolarHBondContact O-CB 3.31Å; V159-F163 PolarHBondContact O-N 2.99Å; I160-F163 PolarHBondContact O-N 2.92Å; R161-F163 PolarHBondContact O-N 3.26Å; F163-Q165 VanDerWaalsContact C-N 3.31Å; F163-Q165 PolarHBondContact O-N 3.36Å; F163-C166 PolarHBondContact O-N 2.85Å; F163-R167 HydrophobicContact CE1-CB 4.13Å; F163-R167 HydrophobicContact CE1-CG 4.32Å; F163-R167 HydrophobicContact CE2-CB 4.38Å; F163-R167 HydrophobicContact CZ-CB 4.01Å; F163-R167 HydrophobicContact CZ-CG 4.06Å; F163-R167 WeakPolarHBondContact O-CB 3.37Å; F163-R167 PolarHBondContact O-N 3.1Å; F163-F171 HydrophobicContact CD1-CD2 4.19Å; F163-F171 AromaticContact CD1-CE2 3.49Å; F163-F171 HydrophobicContact CD1-CE2 3.49Å; F163-F171 VanDerWaalsContact CD1-CE2 3.49Å; F163-F171 HydrophobicContact CD1-CZ 4.01Å; F163-F171 HydrophobicContact CE1-CD2 4.45Å; F163-F171 AromaticContact CE1-CE2 3.92Å; F163-F171 HydrophobicContact CE1-CE2 3.92Å; F163-F171 HydrophobicContact CE1-CZ 4.13Å; F163-F171 HydrophobicContact CG-CE2 4.36Å
164E98.8Very high97.8Very high42 Ų4263.2 Ų63.220%0.19630%0.302CS..Hα-helixtrans-63.1-38.9-178.5-69.4-169.5150.900112I160 R161 G168 H169 K170 F171I160-E164 HydrophobicContact CG2-CG 4.42Å; I160-E164 WeakPolarHBondContact O-CG 3.38Å; I160-E164 PolarHBondContact O-N 3.48Å; R161-E164 PolarHBondContact O-N 2.88Å; E164-G168 WeakPolarHBondContact O-CA 3.45Å; E164-G168 PolarHBondContact O-N 3.27Å; E164-H169 PolarHBondContact O-N 3.17Å; E164-K170 VanDerWaalsContact OE1-CA 3.27Å; E164-K170 WeakPolarHBondContact OE1-CA 3.44Å; E164-K170 WeakPolarHBondContact OE1-CB 3.39Å; E164-F171 HydrophobicContact CG-CD2 3.97Å; E164-F171 PolarHBondContact OE1-N 3.42Å
165Q98.7Very high97.9Very high146 Ų14663.8 Ų63.868%0.68230%0.304SS*.Hα-helixtrans-63.7-54.9175.6-179175.8-4.700111.3R161 Q162 F163 R167 G168R161-Q165 WeakPolarHBondContact O-CB 3.31Å; R161-Q165 PolarHBondContact O-N 2.88Å; Q162-Q165 PolarHBondContact O-N 3.09Å; F163-Q165 VanDerWaalsContact C-N 3.31Å; F163-Q165 PolarHBondContact O-N 3.36Å; Q165-R167 VanDerWaalsContact C-N 3.34Å; Q165-R167 PolarHBondContact O-N 3.2Å; Q165-G168 PolarHBondContact O-N 3.38Å
166C98.7Very high98Very high9 Ų959.2 Ų59.26%0.06128%0.283CS..Hα-helixtrans-64.4-39.7-178.8-63.50000111.5G18 E19 I21 Q162 F163 G168G18-C166 CarbonylContact C-O 3.49Å; G18-C166 WeakPolarHBondContact CA-O 3.47Å; E19-C166 HydrophobicContact CB-CB 4.39Å; E19-C166 PolarHBondContact N-O 2.84Å; I21-C166 HydrophobicContact CG1-CB 4.03Å; Q162-C166 WeakPolarHBondContact O-CB 3.35Å; Q162-C166 PolarHBondContact O-N 3.37Å; Q162-C166 PolarHBondContact O-SG 3.33Å; F163-C166 PolarHBondContact O-N 2.85Å; C166-G168 VanDerWaalsContact C-N 3.3Å; C166-G168 PolarHBondContact O-N 3.1Å
167R98.8Very high98.1Very high2 Ų259.3 Ų59.31%0.00828%0.282CS..Hα-helixtrans-68.5-31.1176.8179.956.8-168.7105.1-7.8112.2T15 P28 H135 G136 F163 Q165 H169T15-R167 PolarHBondContact O-NH1 3.05Å; T15-R167 PolarHBondContact O-NH2 3.08Å; T15-R167 PolarHBondContact OG1-NH1 2.82Å; P28-R167 HydrophobicContact CG-CB 3.98Å; P28-R167 HydrophobicContact CG-CG 4.44Å; H135-R167 PolarHBondContact O-NH2 2.61Å; G136-R167 WeakPolarHBondContact O-CD 2.89Å; G136-R167 PolarHBondContact O-NE 3.08Å; F163-R167 HydrophobicContact CE1-CB 4.13Å; F163-R167 HydrophobicContact CE1-CG 4.32Å; F163-R167 HydrophobicContact CE2-CB 4.38Å; F163-R167 HydrophobicContact CZ-CB 4.01Å; F163-R167 HydrophobicContact CZ-CG 4.06Å; F163-R167 WeakPolarHBondContact O-CB 3.37Å; F163-R167 PolarHBondContact O-N 3.1Å; Q165-R167 VanDerWaalsContact C-N 3.34Å; Q165-R167 PolarHBondContact O-N 3.2Å; R167-H169 VanDerWaalsContact C-N 3.28Å; R167-H169 HydrophobicContact CG-CB 4.23Å; R167-H169 PolarHBondContact NH1-CD2 2.93Å; R167-H169 VanDerWaalsContact NH1-CD2 3.33Å; R167-H169 PolarHBondContact O-CD2 3.31Å
168G98.5Very high98.1Very high56 Ų5657.8 Ų57.858%0.57728%0.278SS*.THydrogen-bonded Turntrans75.611.5-172.300000114.2E164 Q165 C166E164-G168 WeakPolarHBondContact O-CA 3.45Å; E164-G168 PolarHBondContact O-N 3.27Å; Q165-G168 PolarHBondContact O-N 3.38Å; C166-G168 VanDerWaalsContact C-N 3.3Å; C166-G168 PolarHBondContact O-N 3.1Å
169H98.6Very high98.2Very high42 Ų4255.9 Ų55.919%0.19427%0.27CS..SBendtrans-142.2135.5179.7-62.5-89.6000110.2Y14 T15 V137 E164 R167Y14-H169 HydrophobicContact CD1-CB 4.42Å; Y14-H169 AromaticContact CD1-CE1 3.93Å; Y14-H169 AromaticContact CD1-CG 3.81Å; Y14-H169 AromaticContact CD1-ND1 3.54Å; T15-H169 PolarHBondContact N-NE2 3.14Å; T15-H169 PolarHBondContact OG1-NE2 3.12Å; T15-H169 VanDerWaalsContact OG1-NE2 3.08Å; V137-H169 HydrophobicContact CG2-CB 3.71Å; E164-H169 PolarHBondContact O-N 3.17Å; R167-H169 VanDerWaalsContact C-N 3.28Å; R167-H169 HydrophobicContact CG-CB 4.23Å; R167-H169 PolarHBondContact NH1-CD2 2.93Å; R167-H169 VanDerWaalsContact NH1-CD2 3.33Å; R167-H169 PolarHBondContact O-CD2 3.31Å
170K98.6Very high98.1Very high154 Ų15455.9 Ų55.967%0.6727%0.27SS*.  trans-76.8150.8177.7-62.2-168174.8-1740112.5V137 E164 T172V137-K170 WeakPolarHBondContact CG1-O 3.25Å; E164-K170 VanDerWaalsContact OE1-CA 3.27Å; E164-K170 WeakPolarHBondContact OE1-CA 3.44Å; E164-K170 WeakPolarHBondContact OE1-CB 3.39Å; K170-T172 PolarHBondContact O-N 2.92Å
171F98.4Very high98.1Very high21 Ų2158.1 Ų58.19%0.09228%0.282CS..  trans-52.8137.3165.9-81.2-89.9000110N138 G141 I160 F163 E164 V177 I180N138-F171 WeakPolarHBondContact O-CE1 3.47Å; G141-F171 VanDerWaalsContact C-CZ 3.43Å; I160-F171 HydrophobicContact CG2-CD2 4.25Å; I160-F171 HydrophobicContact CG2-CE2 4.31Å; F163-F171 HydrophobicContact CD1-CD2 4.19Å; F163-F171 AromaticContact CD1-CE2 3.49Å; F163-F171 HydrophobicContact CD1-CE2 3.49Å; F163-F171 VanDerWaalsContact CD1-CE2 3.49Å; F163-F171 HydrophobicContact CD1-CZ 4.01Å; F163-F171 HydrophobicContact CE1-CD2 4.45Å; F163-F171 AromaticContact CE1-CE2 3.92Å; F163-F171 HydrophobicContact CE1-CE2 3.92Å; F163-F171 HydrophobicContact CE1-CZ 4.13Å; F163-F171 HydrophobicContact CG-CE2 4.36Å; E164-F171 HydrophobicContact CG-CD2 3.97Å; E164-F171 PolarHBondContact OE1-N 3.42Å; F171-V177 HydrophobicContact CB-CG2 3.46Å; F171-V177 VanDerWaalsContact CB-CG2 3.46Å; F171-V177 HydrophobicContact CD1-CG2 4.09Å; F171-V177 HydrophobicContact CD2-CG2 4.04Å; F171-V177 HydrophobicContact CG-CG2 3.62Å; F171-I180 HydrophobicContact CE1-CD1 4.23Å; F171-I180 HydrophobicContact CZ-CD1 3.84Å
172T97.3Very high97.9Very high75 Ų7560.2 Ų60.246%0.4629%0.29SS..SBendtrans-111.20.3176.856.60000112.4N138 K170N138-T172 PolarHBondContact ND2-OG1 3.06Å; N138-T172 PolarHBondContact OD1-N 2.87Å; N138-T172 PolarHBondContact OD1-OG1 2.9Å; K170-T172 PolarHBondContact O-N 2.92Å
173R97.3Very high97.3Very high132 Ų13259 Ų5950%0.49829%0.285SS..  trans-120.891-179.7-62.6-53.5-174.7-176.92.1109.7N138 Y175 L176N138-R173 HydrophobicContact CB-CB 4.45Å; N138-R173 HydrophobicContact CB-CG 4.07Å; N138-R173 VanDerWaalsContact CG-CG 3.44Å; N138-R173 WeakPolarHBondContact OD1-CG 3.46Å; N138-R173 PolarHBondContact OD1-N 3.36Å; N138-R173 VanDerWaalsContact OD1-N 3.14Å; R173-Y175 VanDerWaalsContact C-N 3.26Å; R173-Y175 HydrophobicContact CB-CD1 4.11Å; R173-Y175 HydrophobicContact CB-CE1 3.57Å; R173-Y175 HydrophobicContact CG-CE1 3.98Å; R173-Y175 PolarHBondContact O-N 3.13Å; R173-L176 HydrophobicContact CB-CD1 3.93Å; R173-L176 HydrophobicContact CB-CG 4.11Å; R173-L176 WeakPolarHBondContact O-CB 3.41Å; R173-L176 PolarHBondContact O-N 2.87Å
174Q97.3Very high96Very high117 Ų11762.6 Ų62.655%0.54731%0.305SS..Hα-helixtrans-55.5-39-175.4-17058.243.500113.1L176 V177 D178Q174-L176 PolarHBondContact O-N 3.31Å; Q174-V177 CarbonylContact O-C 3.58Å; Q174-V177 WeakPolarHBondContact O-CA 3.49Å; Q174-V177 WeakPolarHBondContact O-CB 3.25Å; Q174-V177 PolarHBondContact O-N 2.85Å; Q174-D178 PolarHBondContact NE2-OD1 3.05Å; Q174-D178 VanDerWaalsContact O-CG 3.24Å; Q174-D178 PolarHBondContact O-N 3.32Å
175Y97.1Very high94.3Very high84 Ų8463.7 Ų63.733%0.32932%0.316SS..Hα-helixtrans-59.9-21.5177.970.7-91.6000114.4G97 V99 R173 D179G97-Y175 WeakPolarHBondContact O-CE2 3.46Å; G97-Y175 PolarHBondContact O-OH 3.08Å; V99-Y175 HydrophobicContact CG2-CD2 3.91Å; V99-Y175 HydrophobicContact CG2-CE2 4.43Å; R173-Y175 VanDerWaalsContact C-N 3.26Å; R173-Y175 HydrophobicContact CB-CD1 4.11Å; R173-Y175 HydrophobicContact CB-CE1 3.57Å; R173-Y175 HydrophobicContact CG-CE1 3.98Å; R173-Y175 PolarHBondContact O-N 3.13Å; Y175-D179 WeakPolarHBondContact O-CB 3.43Å; Y175-D179 PolarHBondContact O-N 2.83Å
176L98.1Very high92.6Very high1 Ų161.1 Ų61.11%0.00531%0.307CS..Hα-helixtrans-80.4-38.5172.1-64.3177.9000111.3V99 N138 Y142 R173 Q174 D179 I180V99-L176 HydrophobicContact CG2-CD2 4.43Å; N138-L176 HydrophobicContact CB-CD1 3.82Å; Y142-L176 HydrophobicContact CD2-CB 4.02Å; Y142-L176 HydrophobicContact CD2-CD2 3.74Å; Y142-L176 HydrophobicContact CD2-CG 4.38Å; Y142-L176 HydrophobicContact CE2-CD2 4.14Å; Y142-L176 HydrophobicContact CG-CD2 4.09Å; R173-L176 HydrophobicContact CB-CD1 3.93Å; R173-L176 HydrophobicContact CB-CG 4.11Å; R173-L176 WeakPolarHBondContact O-CB 3.41Å; R173-L176 PolarHBondContact O-N 2.87Å; Q174-L176 PolarHBondContact O-N 3.31Å; L176-D179 PolarHBondContact O-N 2.61Å; L176-I180 WeakPolarHBondContact O-CD1 3.42Å; L176-I180 VanDerWaalsContact O-CG1 3.25Å; L176-I180 WeakPolarHBondContact O-CG1 3.29Å; L176-I180 PolarHBondContact O-N 2.72Å
177V98.3Very high90.8Very high14 Ų1465.6 Ų65.69%0.08533%0.327CS..Hα-helixtrans-62.1-48.6174.6178.90000109.5I160 F171 Q174 D179 I180 L181I160-V177 HydrophobicContact CD1-CG1 3.86Å; F171-V177 HydrophobicContact CB-CG2 3.46Å; F171-V177 VanDerWaalsContact CB-CG2 3.46Å; F171-V177 HydrophobicContact CD1-CG2 4.09Å; F171-V177 HydrophobicContact CD2-CG2 4.04Å; F171-V177 HydrophobicContact CG-CG2 3.62Å; Q174-V177 CarbonylContact O-C 3.58Å; Q174-V177 WeakPolarHBondContact O-CA 3.49Å; Q174-V177 WeakPolarHBondContact O-CB 3.25Å; Q174-V177 PolarHBondContact O-N 2.85Å; V177-D179 PolarHBondContact O-N 2.77Å; V177-I180 PolarHBondContact O-N 3.32Å; V177-I180 VanDerWaalsContact O-N 3.14Å; V177-L181 HydrophobicContact CG1-CD1 4.02Å; V177-L181 HydrophobicContact CG1-CG 4.39Å; V177-L181 VanDerWaalsContact O-CG 3.32Å; V177-L181 WeakPolarHBondContact O-CG 3.46Å; V177-L181 PolarHBondContact O-N 3.4Å
178D97.7Very high88.7Confident70 Ų7066.9 Ų66.937%0.37433%0.333SS..Hα-helixtrans-60.1-33.9177.8-57.2-22000111.9Q174 R182Q174-D178 PolarHBondContact NE2-OD1 3.05Å; Q174-D178 VanDerWaalsContact O-CG 3.24Å; Q174-D178 PolarHBondContact O-N 3.32Å; D178-R182 VanDerWaalsContact O-CG 3.27Å; D178-R182 WeakPolarHBondContact O-CG 3.3Å; D178-R182 PolarHBondContact O-N 3.37Å; D178-R182 PolarHBondContact O-NE 2.95Å
179D97Very high86.5Confident27 Ų2769.9 Ų69.914%0.14434%0.335CS..Hα-helixtrans-72.2-40176-162.376.5000112.9V99 Y142 Y175 L176 V177 L181 R182 S183V99-D179 HydrophobicContact CG1-CB 4.45Å; V99-D179 HydrophobicContact CG2-CB 4.14Å; Y142-D179 HydrophobicContact CE2-CB 4.22Å; Y142-D179 WeakPolarHBondContact CE2-OD2 3.48Å; Y142-D179 PolarHBondContact OH-OD2 2.95Å; Y175-D179 WeakPolarHBondContact O-CB 3.43Å; Y175-D179 PolarHBondContact O-N 2.83Å; L176-D179 PolarHBondContact O-N 2.61Å; V177-D179 PolarHBondContact O-N 2.77Å; D179-L181 VanDerWaalsContact C-N 3.34Å; D179-R182 PolarHBondContact O-N 2.71Å; D179-R182 IonicContact OD1-CZ 3.32Å; D179-R182 IonicContact OD1-NH2 3.67Å; D179-R182 PolarHBondContact OD1-NH2 2.68Å; D179-S183 PolarHBondContact O-N 3.33Å
180I97.3Very high83.8Confident0 Ų075.7 Ų75.70%036%0.362CS..Hα-helixtrans-62.4-43.8172.9-64.1155.6000110.2Y142 C145 K146 V159 I160 F171 L176 V177 R182 S183Y142-I180 HydrophobicContact CD2-CD1 4.23Å; Y142-I180 HydrophobicContact CD2-CG1 3.98Å; Y142-I180 HydrophobicContact CE2-CG1 4.43Å; C145-I180 HydrophobicContact CB-CD1 3.85Å; C145-I180 HydrophobicContact CB-CG1 4.17Å; C145-I180 HydrophobicContact CB-CG2 3.93Å; K146-I180 HydrophobicContact CD-CG1 4.25Å; K146-I180 HydrophobicContact CG-CG1 4.19Å; V159-I180 HydrophobicContact CG1-CG2 4.37Å; I160-I180 HydrophobicContact CD1-CB 4.06Å; I160-I180 HydrophobicContact CD1-CG2 3.73Å; I160-I180 HydrophobicContact CG1-CB 4.48Å; I160-I180 HydrophobicContact CG1-CD1 4.34Å; I160-I180 HydrophobicContact CG1-CG2 3.88Å; F171-I180 HydrophobicContact CE1-CD1 4.23Å; F171-I180 HydrophobicContact CZ-CD1 3.84Å; L176-I180 WeakPolarHBondContact O-CD1 3.42Å; L176-I180 VanDerWaalsContact O-CG1 3.25Å; L176-I180 WeakPolarHBondContact O-CG1 3.29Å; L176-I180 PolarHBondContact O-N 2.72Å; V177-I180 PolarHBondContact O-N 3.32Å; V177-I180 VanDerWaalsContact O-N 3.14Å; I180-R182 PolarHBondContact O-N 3.36Å; I180-S183 WeakPolarHBondContact O-CB 3.45Å; I180-S183 PolarHBondContact O-N 2.77Å; I180-S183 PolarHBondContact O-OG 2.91Å
181L97Very high81.3Confident61 Ų6173.8 Ų73.832%0.31937%0.368SS..Hα-helixtrans-67.1-21.2-179.8-68.3176.8000113.9A156 H157 I160 V177 D179 S183A156-L181 HydrophobicContact CB-CD2 4.05Å; H157-L181 HydrophobicContact CB-CD2 4.4Å; H157-L181 VanDerWaalsContact CE1-CD2 3.47Å; H157-L181 WeakPolarHBondContact CE1-CD2 3.23Å; H157-L181 WeakPolarHBondContact ND1-CD2 3.25Å; I160-L181 HydrophobicContact CD1-CD2 3.59Å; I160-L181 HydrophobicContact CD1-CG 3.8Å; V177-L181 HydrophobicContact CG1-CD1 4.02Å; V177-L181 HydrophobicContact CG1-CG 4.39Å; V177-L181 VanDerWaalsContact O-CG 3.32Å; V177-L181 WeakPolarHBondContact O-CG 3.46Å; V177-L181 PolarHBondContact O-N 3.4Å; D179-L181 VanDerWaalsContact C-N 3.34Å; L181-S183 VanDerWaalsContact C-N 3.32Å
182R94.4Very high80.4Confident168 Ų16876.5 Ų76.563%0.63438%0.382SS*.THydrogen-bonded Turntrans-86.7-1.3173.2-72.5-179.8-59.5166.310.6113.5D178 D179 I180 D184D178-R182 VanDerWaalsContact O-CG 3.27Å; D178-R182 WeakPolarHBondContact O-CG 3.3Å; D178-R182 PolarHBondContact O-N 3.37Å; D178-R182 PolarHBondContact O-NE 2.95Å; D179-R182 PolarHBondContact O-N 2.71Å; D179-R182 IonicContact OD1-CZ 3.32Å; D179-R182 IonicContact OD1-NH2 3.67Å; D179-R182 PolarHBondContact OD1-NH2 2.68Å; I180-R182 PolarHBondContact O-N 3.36Å; R182-D184 PolarHBondContact O-N 2.79Å
183S86.3Confident79.5Confident16 Ų1676.5 Ų76.511%0.11238%0.377CS..  trans-59.9123.8-178.8-57.80000110.4K146 D179 I180 L181K146-S183 VanDerWaalsContact CD-OG 3.32Å; K146-S183 WeakPolarHBondContact CD-OG 2.95Å; K146-S183 PolarHBondContact NZ-OG 2.89Å; D179-S183 PolarHBondContact O-N 3.33Å; I180-S183 WeakPolarHBondContact O-CB 3.45Å; I180-S183 PolarHBondContact O-N 2.77Å; I180-S183 PolarHBondContact O-OG 2.91Å; L181-S183 VanDerWaalsContact C-N 3.32Å
184D72.6Confident78.6Confident78 Ų7873.4 Ų73.442%0.41737%0.371SS..  trans-95.2125.6165.3-167.9-19.4000107.6N150 R182 D186 E187N150-D184 PolarHBondContact ND2-O 3.04Å; R182-D184 PolarHBondContact O-N 2.79Å; D184-D186 PolarHBondContact O-N 2.73Å; D184-D186 VanDerWaalsContact O-N 3.08Å; D184-D186 PolarHBondContact OD1-N 3.26Å; D184-E187 HydrophobicContact CB-CG 4.11Å; D184-E187 WeakPolarHBondContact O-CB 3.14Å; D184-E187 PolarHBondContact O-N 3.24Å
185P63.2Low77.5Confident65 Ų6570.9 Ų70.942%0.42236%0.36SS..G310 helixtrans-50.1-28.6171.2-27.335.7000113.2E187P185-E187 VanDerWaalsContact C-N 3.34Å; P185-E187 PolarHBondContact O-N 3.16Å
186D62.4Low76.2Confident92 Ų9270.1 Ų70.149%0.49236%0.362SS..G310 helixtrans-78.6-10.6-179.8-65.6-28.5000114D184 M188D184-D186 PolarHBondContact O-N 2.73Å; D184-D186 VanDerWaalsContact O-N 3.08Å; D184-D186 PolarHBondContact OD1-N 3.26Å; D186-M188 VanDerWaalsContact C-N 3.28Å; D186-M188 PolarHBondContact O-N 3.42Å
187E59.8Low74.8Confident103 Ų10374.7 Ų74.748%0.48139%0.386SS..G310 helixtrans-62.3-29-177.2-97.4-175.8166.800114K146 D184 P185K146-E187 IonicContact NZ-OE2 3.62Å; D184-E187 HydrophobicContact CB-CG 4.11Å; D184-E187 WeakPolarHBondContact O-CB 3.14Å; D184-E187 PolarHBondContact O-N 3.24Å; P185-E187 VanDerWaalsContact C-N 3.34Å; P185-E187 PolarHBondContact O-N 3.16Å
188M55.1Low73.1Confident28 Ų2879 Ų7914%0.13841%0.408CS..THydrogen-bonded Turntrans-105.7-9.6-175.1-69.2-162.568.700114.4M106 M109 N150 D186 H190M106-M188 HydrophobicContact CG-CE 4.4Å; M109-M188 HydrophobicContact CE-CE 3.7Å; M109-M188 HydrophobicContact SD-CE 3.46Å; M109-M188 WeakPolarHBondContact SD-CE 3.31Å; M109-M188 HydrophobicContact SD-SD 4.48Å; N150-M188 HydrophobicContact CB-CB 4.43Å; N150-M188 HydrophobicContact CB-CG 3.99Å; N150-M188 HydrophobicContact CB-SD 3.74Å; D186-M188 VanDerWaalsContact C-N 3.28Å; D186-M188 PolarHBondContact O-N 3.42Å; M188-H190 PolarHBondContact O-N 3.31Å
189I52Low71.2Confident120 Ų12079.7 Ų79.762%0.61541%0.41SS*.THydrogen-bonded Turntrans-73.7-18.7175.7-62.8175.6000110.9
190H43.3Very low69Low164 Ų16484.1 Ų84.176%0.75943%0.432SS*.THydrogen-bonded Turntrans-110.610.9-172.1-67.4-51.5000115.8M188M188-H190 PolarHBondContact O-N 3.31Å
191S45.1Very low66.5Low114 Ų11491.7 Ų91.780%0.79747%0.472SS*.  trans-116.20175.856.20000111.5

Retrieved 191 of 191 residues in 167.5 ms (Link to these results)

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