A0A087X3E6_POEFO Loading...

Alcohol dehydrogenase 1-like

AlphaFold DB , UniProt , Accession A0A087X3E6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 377 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
1M56.8Low92Very high144 Ų14481.3 Ų81.371%0.70947%0.466SS*.  0141.10-67.6-173.1-169.800108.4T3 A4 P87M1-T3 PolarHBondContact O-N 3.49Å; M1-A4 PolarHBondContact O-N 3.41Å; M1-P87 HydrophobicContact CE-CB 3.69Å; M1-P87 HydrophobicContact SD-CB 4.3Å
2A80.4Confident92.6Very high107 Ų10774.5 Ų74.588%0.88443%0.427SS*.THydrogen-bonded Turntrans-63.2-12.6-170.100000115.4
3T93.9Very high93Very high55 Ų5568.8 Ų68.834%0.33739%0.394SS..THydrogen-bonded Turntrans-107.2-6.7-173.444.80000114.3M1 G5 Q6 I8 R38 E76M1-T3 PolarHBondContact O-N 3.49Å; T3-G5 PolarHBondContact O-N 3.37Å; T3-Q6 PolarHBondContact O-N 2.54Å; T3-Q6 VanDerWaalsContact O-N 3.12Å; T3-I8 HydrophobicContact CG2-CD1 4.31Å; T3-I8 HydrophobicContact CG2-CG1 4.23Å; T3-R38 PolarHBondContact O-NH2 3.26Å; T3-E76 VanDerWaalsContact CB-OE1 3.31Å; T3-E76 WeakPolarHBondContact CB-OE1 3.45Å; T3-E76 PolarHBondContact OG1-OE1 3.06Å
4A94.9Very high93.4Very high54 Ų5463.9 Ų63.945%0.44637%0.366SS..THydrogen-bonded Turntrans-62.6131.6-178.800000111.2M1 Q6M1-A4 PolarHBondContact O-N 3.41Å; A4-Q6 PolarHBondContact O-N 3.48Å
5G95.9Very high93.7Very high52 Ų5259.6 Ų59.654%0.53634%0.342SS..THydrogen-bonded Turntrans74.3-0.4-177.200000115.2T3T3-G5 PolarHBondContact O-N 3.37Å
6Q97.9Very high93.9Very high125 Ų12559.3 Ų59.358%0.58433%0.333SS*.SBendtrans-107.2157.3179-58.3-58.9-3600111.3T3 A4 R38T3-Q6 PolarHBondContact O-N 2.54Å; T3-Q6 VanDerWaalsContact O-N 3.12Å; A4-Q6 PolarHBondContact O-N 3.48Å; Q6-R38 PolarHBondContact O-NH1 2.89Å; Q6-R38 PolarHBondContact O-NH2 3.33Å
7V98.3Very high93.9Very high83 Ų8363.4 Ų63.450%0.50335%0.349SS..PPolyproline II helixtrans-69.6135.9168177.40000109E28V7-E28 HydrophobicContact CG1-CB 3.8Å; V7-E28 HydrophobicContact CG1-CG 4.18Å
8I98.6Very high93.9Very high12 Ų1262.6 Ų62.66%0.06234%0.342CS..EExtended strand (participates in β ladder)trans-102.8134.4172.9-68.9177.6000108.9T3 C10 E28 V29 F150T3-I8 HydrophobicContact CG2-CD1 4.31Å; T3-I8 HydrophobicContact CG2-CG1 4.23Å; I8-C10 HydrophobicContact CG2-CB 4.12Å; I8-E28 CarbonylContact O-C 3.58Å; I8-E28 WeakPolarHBondContact O-CA 3.26Å; I8-V29 PolarHBondContact N-O 2.8Å; I8-V29 PolarHBondContact O-N 2.74Å; I8-F150 HydrophobicContact CD1-CD1 3.85Å; I8-F150 HydrophobicContact CD1-CE1 3.83Å; I8-F150 HydrophobicContact CD1-CE2 4.49Å; I8-F150 HydrophobicContact CD1-CG 4.2Å; I8-F150 HydrophobicContact CD1-CZ 4.16Å; I8-F150 HydrophobicContact CG2-CD2 3.74Å; I8-F150 HydrophobicContact CG2-CE2 3.99Å; I8-F150 HydrophobicContact CG2-CG 4.18Å
9R98.4Very high93.9Very high164 Ų16463.8 Ų63.862%0.61935%0.348SS*.EExtended strand (participates in β ladder)trans-96.1127.8164.9-73-178.3177.9-179.30.8109.5E26 V27 E28R9-E26 HydrophobicContact CB-CG 4.21Å; R9-V27 VanDerWaalsContact CA-O 3.3Å; R9-V27 WeakPolarHBondContact CA-O 3.43Å; R9-E28 HydrophobicContact CG-CG 3.94Å; R9-E28 IonicContact CZ-OE1 3.22Å; R9-E28 IonicContact NE-OE1 2.73Å; R9-E28 PolarHBondContact NE-OE1 3.15Å; R9-E28 VanDerWaalsContact NE-OE1 3.16Å; R9-E28 IonicContact NH2-OE1 2.85Å; R9-E28 PolarHBondContact NH2-OE1 3.04Å
10C98.4Very high94Very high8 Ų865.5 Ų65.55%0.05435%0.353CS..EExtended strand (participates in β ladder)trans-154.5169.6-177.371.20000111.7I8 E26 V27 E149 F150I8-C10 HydrophobicContact CG2-CB 4.12Å; C10-E26 CarbonylContact O-C 3.6Å; C10-E26 WeakPolarHBondContact O-CA 3.36Å; C10-V27 PolarHBondContact N-O 3.12Å; C10-V27 WeakPolarHBondContact O-CG2 3.19Å; C10-V27 PolarHBondContact O-N 3.46Å; C10-E149 HydrophobicContact CB-CB 3.89Å; C10-E149 WeakPolarHBondContact CB-OE2 3.41Å; C10-F150 HydrophobicContact CB-CD2 3.87Å
11K98.6Very high94.2Very high90 Ų9066.4 Ų66.439%0.39136%0.362SS..EExtended strand (participates in β ladder)trans-77.8141.5175.5-69.4176.4174.8175.90111.5I24 E25 S148 E149 L352 E353K11-I24 HydrophobicContact CB-CG2 4.49Å; K11-I24 HydrophobicContact CD-CG2 4.5Å; K11-I24 HydrophobicContact CG-CG2 4.48Å; K11-E25 WeakPolarHBondContact CA-O 3.31Å; K11-S148 WeakPolarHBondContact O-CA 2.97Å; K11-E149 HydrophobicContact CB-CG 4.3Å; K11-E149 PolarHBondContact N-OE2 3.01Å; K11-E149 PolarHBondContact O-N 3.22Å; K11-L352 HydrophobicContact CB-CD2 4.39Å; K11-E353 IonicContact NZ-OE1 3.48Å; K11-E353 PolarHBondContact NZ-OE1 3.24Å
12A98.8Very high96.2Very high0 Ų059.9 Ų59.90%033%0.33CS..EExtended strand (participates in β ladder)trans-144.5152.9166.100000111I24 E25 V27 V66 F147A12-I24 WeakPolarHBondContact O-CA 3.49Å; A12-E25 PolarHBondContact N-O 3.18Å; A12-E25 PolarHBondContact O-N 2.85Å; A12-V27 HydrophobicContact CB-CB 4.41Å; A12-V27 HydrophobicContact CB-CG1 3.79Å; A12-V27 HydrophobicContact CB-CG2 3.67Å; A12-V66 HydrophobicContact CB-CG1 4.44Å; A12-V66 HydrophobicContact CB-CG2 4.39Å; A12-F147 CarbonylContact C-O 3.54Å; A12-F147 VanDerWaalsContact CA-O 3.31Å; A12-F147 WeakPolarHBondContact CA-O 3.42Å; A12-F147 WeakPolarHBondContact CB-O 3.32Å
13A98.6Very high97Very high0 Ų057.8 Ų57.80%031%0.307CS..EExtended strand (participates in β ladder)trans-89.5109.5168.100000109.4L22 I24 F147 L352 I355A13-L22 HydrophobicContact CB-CB 4.18Å; A13-L22 HydrophobicContact CB-CD2 4.02Å; A13-I24 HydrophobicContact CB-CD1 3.85Å; A13-F147 HydrophobicContact CB-CB 4.16Å; A13-F147 PolarHBondContact N-O 3.2Å; A13-L352 HydrophobicContact CB-CD1 4.2Å; A13-I355 HydrophobicContact CB-CD1 3.77Å; A13-I355 HydrophobicContact CB-CG2 3.86Å
14V98.6Very high97.3Very high0 Ų057.9 Ų57.90%030%0.304CS..EExtended strand (participates in β ladder)trans-99.8127.1-176.7-175.50000109.3W16 L22 V23 E25 V27 P64 V66 L138V14-W16 HydrophobicContact CG1-CD2 4.01Å; V14-W16 HydrophobicContact CG1-CG 4.28Å; V14-W16 HydrophobicContact CG1-CZ2 4.19Å; V14-L22 WeakPolarHBondContact O-CA 3.21Å; V14-V23 PolarHBondContact N-O 2.85Å; V14-V23 PolarHBondContact O-N 2.73Å; V14-E25 HydrophobicContact CB-CG 4.09Å; V14-E25 HydrophobicContact CG2-CB 3.9Å; V14-E25 HydrophobicContact CG2-CG 3.79Å; V14-V27 HydrophobicContact CG2-CG1 3.97Å; V14-P64 HydrophobicContact CG1-CB 4.38Å; V14-V66 HydrophobicContact CG2-CG2 4.28Å; V14-L138 HydrophobicContact CB-CD1 4.41Å; V14-L138 HydrophobicContact CG1-CD1 3.86Å; V14-L138 HydrophobicContact CG1-CD2 4.13Å; V14-L138 HydrophobicContact CG2-CD1 3.61Å
15A97.6Very high97.4Very high0 Ų056.3 Ų56.30%029%0.288CS..EExtended strand (participates in β ladder)trans-89.5109.1164.700000108.3L22 L54 F63 P64 V65 F67A15-L22 HydrophobicContact CB-CD2 4.43Å; A15-L22 HydrophobicContact CB-CG 4.46Å; A15-L54 HydrophobicContact CB-CD1 3.83Å; A15-F63 HydrophobicContact CB-CD1 4.12Å; A15-F63 HydrophobicContact CB-CE1 3.93Å; A15-P64 CarbonylContact O-C 3.58Å; A15-P64 VanDerWaalsContact O-CA 3.27Å; A15-P64 WeakPolarHBondContact O-CA 3.41Å; A15-V65 HydrophobicContact CB-CG1 3.92Å; A15-V65 PolarHBondContact N-O 3.25Å; A15-V65 PolarHBondContact O-N 2.85Å; A15-F67 HydrophobicContact CB-CD2 3.76Å; A15-F67 HydrophobicContact CB-CE2 3.45Å; A15-F67 VanDerWaalsContact CB-CE2 3.45Å
16W96.5Very high97.6Very high55 Ų5559.9 Ų59.921%0.20829%0.291CS..  trans-79.6-34.4-177.8-75.2106.6000112.9V14 E25 P64 C133 L138V14-W16 HydrophobicContact CG1-CD2 4.01Å; V14-W16 HydrophobicContact CG1-CG 4.28Å; V14-W16 HydrophobicContact CG1-CZ2 4.19Å; W16-E25 HydrophobicContact CZ2-CG 4.09Å; W16-E25 PolarHBondContact NE1-OE1 3.49Å; W16-P64 HydrophobicContact CD2-CB 4.35Å; W16-P64 HydrophobicContact CE3-CB 3.6Å; W16-P64 HydrophobicContact CE3-CG 4.1Å; W16-P64 HydrophobicContact CZ3-CB 3.97Å; W16-P64 HydrophobicContact CZ3-CG 4.02Å; W16-C133 HydrophobicContact CH2-CB 4.21Å; W16-C133 HydrophobicContact CZ2-CB 4.42Å; W16-L138 HydrophobicContact CH2-CD2 4.26Å; W16-L138 HydrophobicContact CZ3-CD2 4.27Å
17E94.8Very high97.6Very high128 Ų12854 Ų5460%0.59826%0.263SS*.SBendtrans-143.3157.6-174.5-67-179.7-169.800110.7N19 Q20 F63E17-N19 PolarHBondContact O-N 2.83Å; E17-Q20 HydrophobicContact CB-CB 4.29Å; E17-Q20 HydrophobicContact CB-CG 3.77Å; E17-Q20 PolarHBondContact O-N 2.82Å; E17-F63 WeakPolarHBondContact O-CE1 3.4Å
18F94Very high97.6Very high50 Ų5053.2 Ų53.222%0.21925%0.254CS..THydrogen-bonded Turntrans-60.9134.8176.4-179.3-101.3000111.4Q20 L54 S55 Q60 F63F18-Q20 PolarHBondContact O-N 2.83Å; F18-Q20 VanDerWaalsContact O-N 3.15Å; F18-L54 WeakPolarHBondContact CD2-O 3.43Å; F18-S55 VanDerWaalsContact CZ-O 3.25Å; F18-S55 WeakPolarHBondContact CZ-O 3.4Å; F18-Q60 HydrophobicContact CD1-CG 4.29Å; F18-Q60 HydrophobicContact CD2-CB 4.41Å; F18-Q60 HydrophobicContact CD2-CG 4.04Å; F18-Q60 HydrophobicContact CE1-CG 4.25Å; F18-Q60 HydrophobicContact CE2-CG 3.99Å; F18-Q60 HydrophobicContact CG-CB 4.39Å; F18-Q60 HydrophobicContact CG-CG 4.17Å; F18-Q60 HydrophobicContact CZ-CG 4.09Å; F18-F63 HydrophobicContact CB-CD2 4.2Å; F18-F63 HydrophobicContact CB-CE2 3.73Å; F18-F63 HydrophobicContact CB-CZ 4.04Å; F18-F63 AromaticContact CD2-CE2 3.79Å; F18-F63 HydrophobicContact CD2-CE2 3.79Å; F18-F63 AromaticContact CD2-CZ 3.94Å; F18-F63 HydrophobicContact CD2-CZ 3.94Å; F18-F63 HydrophobicContact CG-CE2 4.27Å; F18-F63 HydrophobicContact CG-CZ 4.48Å
19N93.5Very high97.6Very high86 Ų8652.7 Ų52.746%0.4625%0.251SS..THydrogen-bonded Turntrans56.425.4177.6-164.939.3000114.7E17 L54 S55E17-N19 PolarHBondContact O-N 2.83Å; N19-L54 WeakPolarHBondContact CA-O 3.44Å; N19-L54 PolarHBondContact N-O 2.97Å; N19-S55 VanDerWaalsContact OD1-CB 3.25Å; N19-S55 WeakPolarHBondContact OD1-CB 3.36Å
20Q96.4Very high97.6Very high97 Ų9746 Ų4645%0.45323%0.231SC..SBendtrans-104.3154.8171.7-63.3-54.3-40.900111.5E17 F18E17-Q20 HydrophobicContact CB-CB 4.29Å; E17-Q20 HydrophobicContact CB-CG 3.77Å; E17-Q20 PolarHBondContact O-N 2.82Å; F18-Q20 PolarHBondContact O-N 2.83Å; F18-Q20 VanDerWaalsContact O-N 3.15Å
21P97.4Very high97.6Very high84 Ų8447.4 Ų47.455%0.54524%0.24SC..  trans-56.4147.5172.3-23.934.3000112.2
22L98.3Very high97.6Very high7 Ų743.9 Ų43.94%0.03723%0.227CC..  trans-72.2144.7174.2-58.998.3000110.1A13 V14 A15 L54 F67 F147 I355 N356 V359A13-L22 HydrophobicContact CB-CB 4.18Å; A13-L22 HydrophobicContact CB-CD2 4.02Å; V14-L22 WeakPolarHBondContact O-CA 3.21Å; A15-L22 HydrophobicContact CB-CD2 4.43Å; A15-L22 HydrophobicContact CB-CG 4.46Å; L22-L54 HydrophobicContact CD1-CD2 4Å; L22-F67 HydrophobicContact CD2-CD2 4.36Å; L22-F147 HydrophobicContact CD2-CD2 4.26Å; L22-I355 HydrophobicContact CB-CG2 4.16Å; L22-I355 HydrophobicContact CD1-CG1 4.39Å; L22-I355 HydrophobicContact CD2-CD1 4.07Å; L22-N356 PolarHBondContact N-OD1 2.85Å; L22-N356 PolarHBondContact O-ND2 3Å; L22-V359 HydrophobicContact CD1-CG2 3.95Å
23V98.6Very high97.5Very high64 Ų6449.2 Ų49.239%0.38825%0.251SS..EExtended strand (participates in β ladder)trans-111.2130.5178-175.20000109V14 E25V14-V23 PolarHBondContact N-O 2.85Å; V14-V23 PolarHBondContact O-N 2.73Å; V23-E25 HydrophobicContact CG1-CG 4.26Å; V23-E25 VanDerWaalsContact CG1-OE1 3.31Å; V23-E25 WeakPolarHBondContact CG1-OE1 3.39Å; V23-E25 PolarHBondContact O-N 2.85Å
24I98.6Very high97.5Very high56 Ų5655.9 Ų55.929%0.28728%0.283SS..EExtended strand (participates in β ladder)trans-75.2116.4172-55.3-59.8000108.3K11 A12 A13 L352 I355K11-I24 HydrophobicContact CB-CG2 4.49Å; K11-I24 HydrophobicContact CD-CG2 4.5Å; K11-I24 HydrophobicContact CG-CG2 4.48Å; A12-I24 WeakPolarHBondContact O-CA 3.49Å; A13-I24 HydrophobicContact CB-CD1 3.85Å; I24-L352 HydrophobicContact CD1-CG 4.31Å; I24-I355 HydrophobicContact CD1-CG2 4.26Å
25E98.6Very high97.4Very high22 Ų2260 Ų6010%0.10330%0.301CS..EExtended strand (participates in β ladder)trans-119.9154.7179.7-61-75.8174.700110.2K11 A12 V14 W16 V23 V27 R134K11-E25 WeakPolarHBondContact CA-O 3.31Å; A12-E25 PolarHBondContact N-O 3.18Å; A12-E25 PolarHBondContact O-N 2.85Å; V14-E25 HydrophobicContact CB-CG 4.09Å; V14-E25 HydrophobicContact CG2-CB 3.9Å; V14-E25 HydrophobicContact CG2-CG 3.79Å; W16-E25 HydrophobicContact CZ2-CG 4.09Å; W16-E25 PolarHBondContact NE1-OE1 3.49Å; V23-E25 HydrophobicContact CG1-CG 4.26Å; V23-E25 VanDerWaalsContact CG1-OE1 3.31Å; V23-E25 WeakPolarHBondContact CG1-OE1 3.39Å; V23-E25 PolarHBondContact O-N 2.85Å; E25-V27 HydrophobicContact CB-CG1 4.13Å; E25-R134 IonicContact OE1-CZ 2.85Å; E25-R134 VanDerWaalsContact OE1-CZ 3.28Å; E25-R134 IonicContact OE1-NE 3.35Å; E25-R134 IonicContact OE1-NH1 3.13Å; E25-R134 IonicContact OE1-NH2 3.7Å; E25-R134 PolarHBondContact OE1-NH2 2.79Å; E25-R134 IonicContact OE2-CZ 2.72Å; E25-R134 IonicContact OE2-NE 2.83Å; E25-R134 PolarHBondContact OE2-NE 2.73Å; E25-R134 IonicContact OE2-NH2 3.62Å; E25-R134 PolarHBondContact OE2-NH2 3.41Å
26E98.6Very high97.4Very high127 Ų12761 Ų6159%0.59331%0.305SS*.EExtended strand (participates in β ladder)trans-80.1121157.1-172.117995.500108.3R9 C10 C133R9-E26 HydrophobicContact CB-CG 4.21Å; C10-E26 CarbonylContact O-C 3.6Å; C10-E26 WeakPolarHBondContact O-CA 3.36Å; E26-C133 PolarHBondContact O-SG 3.44Å
27V98.7Very high97.5Very high0 Ų058.4 Ų58.40%030%0.295CS..EExtended strand (participates in β ladder)trans-115.2157.3-179.5-55.70000110.8R9 C10 A12 V14 E25 V29 I131 S132 C133 L138R9-V27 VanDerWaalsContact CA-O 3.3Å; R9-V27 WeakPolarHBondContact CA-O 3.43Å; C10-V27 PolarHBondContact N-O 3.12Å; C10-V27 WeakPolarHBondContact O-CG2 3.19Å; C10-V27 PolarHBondContact O-N 3.46Å; A12-V27 HydrophobicContact CB-CB 4.41Å; A12-V27 HydrophobicContact CB-CG1 3.79Å; A12-V27 HydrophobicContact CB-CG2 3.67Å; V14-V27 HydrophobicContact CG2-CG1 3.97Å; E25-V27 HydrophobicContact CB-CG1 4.13Å; V27-V29 HydrophobicContact CG2-CG2 4.16Å; V27-I131 HydrophobicContact CB-CG2 3.93Å; V27-I131 HydrophobicContact CG1-CG2 4.41Å; V27-I131 HydrophobicContact CG2-CG2 3.94Å; V27-S132 WeakPolarHBondContact CA-O 3.19Å; V27-C133 HydrophobicContact CG1-CB 3.99Å; V27-L138 HydrophobicContact CG1-CD1 4.01Å
28E98.7Very high97.7Very high68 Ų6852.3 Ų52.332%0.31827%0.267SS..EExtended strand (participates in β ladder)trans-103.3119.3174.1-71.3178.6158.500109.5V7 I8 R9 I131 S132V7-E28 HydrophobicContact CG1-CB 3.8Å; V7-E28 HydrophobicContact CG1-CG 4.18Å; I8-E28 CarbonylContact O-C 3.58Å; I8-E28 WeakPolarHBondContact O-CA 3.26Å; R9-E28 HydrophobicContact CG-CG 3.94Å; R9-E28 IonicContact CZ-OE1 3.22Å; R9-E28 IonicContact NE-OE1 2.73Å; R9-E28 PolarHBondContact NE-OE1 3.15Å; R9-E28 VanDerWaalsContact NE-OE1 3.16Å; R9-E28 IonicContact NH2-OE1 2.85Å; R9-E28 PolarHBondContact NH2-OE1 3.04Å; E28-I131 WeakPolarHBondContact O-CA 3.18Å; E28-S132 PolarHBondContact N-O 2.83Å; E28-S132 PolarHBondContact O-N 3.27Å
29V98.6Very high97.9Very high0 Ų049.9 Ų49.90%026%0.256CS..EExtended strand (participates in β ladder)trans-106.2109.2177.9-174.20000109.1I8 V27 R38 R130 F150 V152I8-V29 PolarHBondContact N-O 2.8Å; I8-V29 PolarHBondContact O-N 2.74Å; V27-V29 HydrophobicContact CG2-CG2 4.16Å; V29-R38 PolarHBondContact O-NH1 2.97Å; V29-R130 WeakPolarHBondContact CA-O 3.36Å; V29-F150 HydrophobicContact CB-CB 4.38Å; V29-F150 HydrophobicContact CG1-CB 4.27Å; V29-F150 HydrophobicContact CG2-CB 4.18Å; V29-V152 HydrophobicContact CG1-CG2 3.85Å
30A98.4Very high98.2Very high24 Ų2448.8 Ų48.820%0.19825%0.247CC..PPolyproline II helixtrans-60.6154.9177.700000111.9R130 V152A30-R130 HydrophobicContact CB-CB 4.29Å; A30-R130 PolarHBondContact N-O 2.72Å; A30-V152 WeakPolarHBondContact O-CG2 3.41Å
31P98.3Very high98.3Very high38 Ų3844.2 Ų44.225%0.24723%0.226CC..PPolyproline II helixtrans-62.6154.8171.128.2-35.6000111.6
32P98Very high98.3Very high16 Ų1640.6 Ų40.610%0.10420%0.202CC..PPolyproline II helixtrans-66.2138.1178.427.6-32.5000111.5E36 R38 S77 V152P32-E36 HydrophobicContact CB-CB 3.82Å; P32-E36 WeakPolarHBondContact CB-O 3.49Å; P32-R38 HydrophobicContact CG-CB 4.2Å; P32-S77 WeakPolarHBondContact CD-OG 3.49Å; P32-V152 HydrophobicContact CB-CG1 4.07Å
33Q97.5Very high98.4Very high111 Ų11140.3 Ų40.352%0.51920%0.201SC..  trans-87.5-173.7171.3-64.5-171.3-12.400111.4K35 E36 G79Q33-K35 PolarHBondContact O-N 2.92Å; Q33-E36 WeakPolarHBondContact CB-OE2 3.28Å; Q33-E36 PolarHBondContact N-OE2 2.91Å; Q33-E36 WeakPolarHBondContact O-CB 3.46Å; Q33-E36 PolarHBondContact O-N 3.16Å; Q33-G79 WeakPolarHBondContact O-CA 3.36Å
34E97.2Very high98.4Very high141 Ų14137.3 Ų37.366%0.65918%0.183SC*.THydrogen-bonded Turntrans-48.9132.3176.4176.4172.3-16100111.4E36 P80E34-E36 PolarHBondContact O-N 2.74Å; E34-E36 VanDerWaalsContact O-N 3.16Å; E34-P80 CarbonylContact C-O 3.49Å; E34-P80 WeakPolarHBondContact CA-O 3.49Å; E34-P80 HydrophobicContact CB-CB 4.49Å
35K96.7Very high98.3Very high86 Ų8634.6 Ų34.637%0.37417%0.169SC..THydrogen-bonded Turntrans60.919179.5-61-73.3-175.2-179.10114.8Q33 P80 G81 E155Q33-K35 PolarHBondContact O-N 2.92Å; K35-P80 PolarHBondContact N-O 2.74Å; K35-G81 VanDerWaalsContact CE-O 3.31Å; K35-G81 WeakPolarHBondContact CE-O 3.49Å; K35-G81 PolarHBondContact NZ-O 2.97Å; K35-E155 HydrophobicContact CD-CG 4.33Å; K35-E155 WeakPolarHBondContact CD-OE1 3.42Å; K35-E155 WeakPolarHBondContact CE-OE1 3.47Å; K35-E155 IonicContact NZ-OE1 2.74Å; K35-E155 PolarHBondContact NZ-OE1 3.18Å; K35-E155 PolarHBondContact O-N 2.95Å
36E98.3Very high98.2Very high21 Ų2133.6 Ų33.610%0.09817%0.165CC..EExtended strand (participates in β ladder)trans-111.6155.3173.3-63.5176168.400111.6P32 Q33 E34 G79 V82 R130 V152 V153P32-E36 HydrophobicContact CB-CB 3.82Å; P32-E36 WeakPolarHBondContact CB-O 3.49Å; Q33-E36 WeakPolarHBondContact CB-OE2 3.28Å; Q33-E36 PolarHBondContact N-OE2 2.91Å; Q33-E36 WeakPolarHBondContact O-CB 3.46Å; Q33-E36 PolarHBondContact O-N 3.16Å; E34-E36 PolarHBondContact O-N 2.74Å; E34-E36 VanDerWaalsContact O-N 3.16Å; E36-G79 PolarHBondContact O-N 2.84Å; E36-V82 WeakPolarHBondContact O-CG2 3.32Å; E36-R130 VanDerWaalsContact CD-NH2 3.32Å; E36-R130 IonicContact OE1-CZ 2.74Å; E36-R130 IonicContact OE1-NE 2.74Å; E36-R130 PolarHBondContact OE1-NE 2.89Å; E36-R130 IonicContact OE1-NH2 2.72Å; E36-R130 PolarHBondContact OE1-NH2 3.48Å; E36-R130 IonicContact OE2-CZ 3.18Å; E36-R130 IonicContact OE2-NE 2.74Å; E36-R130 PolarHBondContact OE2-NE 3.16Å; E36-R130 IonicContact OE2-NH2 3.28Å; E36-R130 PolarHBondContact OE2-NH2 3.04Å; E36-V152 HydrophobicContact CB-CG1 3.78Å; E36-V152 HydrophobicContact CG-CG1 4.31Å; E36-V153 CarbonylContact C-O 3.57Å; E36-V153 VanDerWaalsContact CA-O 3.25Å; E36-V153 WeakPolarHBondContact CA-O 3.29Å
37I98.4Very high98.1Very high0 Ų027.8 Ų27.80%014%0.138CC..EExtended strand (participates in β ladder)trans-129.1147.5170.370.9171.9000109.6I39 V75 I78 V82 F85 V152 V153 E155 V158I37-I39 HydrophobicContact CD1-CD1 4.08Å; I37-I39 HydrophobicContact CD1-CG1 4Å; I37-I39 HydrophobicContact CG1-CD1 4.27Å; I37-I39 HydrophobicContact CG1-CG1 4.04Å; I37-V75 HydrophobicContact CD1-CG2 3.95Å; I37-I78 HydrophobicContact CB-CG2 4.44Å; I37-I78 HydrophobicContact CG2-CB 4.29Å; I37-I78 HydrophobicContact CG2-CG2 3.86Å; I37-V82 HydrophobicContact CG2-CB 4.5Å; I37-V82 HydrophobicContact CG2-CG1 3.8Å; I37-V82 HydrophobicContact CG2-CG2 4Å; I37-F85 HydrophobicContact CD1-CD1 4.46Å; I37-F85 HydrophobicContact CD1-CG 4.31Å; I37-F85 HydrophobicContact CG2-CB 4.43Å; I37-F85 HydrophobicContact CG2-CD2 4.44Å; I37-V152 WeakPolarHBondContact O-CA 3.43Å; I37-V153 HydrophobicContact CD1-CG2 4.45Å; I37-V153 HydrophobicContact CG1-CG2 3.77Å; I37-V153 PolarHBondContact N-O 2.81Å; I37-V153 PolarHBondContact O-N 3.1Å; I37-E155 HydrophobicContact CG2-CB 4.42Å; I37-V158 HydrophobicContact CD1-CB 4.05Å; I37-V158 HydrophobicContact CD1-CG1 3.76Å; I37-V158 HydrophobicContact CD1-CG2 3.62Å; I37-V158 HydrophobicContact CG1-CG2 4.05Å
38R98.8Very high97.8Very high0 Ų032 Ų320%016%0.157CC..EExtended strand (participates in β ladder)trans-101.8129.1171.4-169.9163.261.4-171.60.9109.6T3 Q6 V29 P32 E76 S77 F150 T151 V152T3-R38 PolarHBondContact O-NH2 3.26Å; Q6-R38 PolarHBondContact O-NH1 2.89Å; Q6-R38 PolarHBondContact O-NH2 3.33Å; V29-R38 PolarHBondContact O-NH1 2.97Å; P32-R38 HydrophobicContact CG-CB 4.2Å; R38-E76 IonicContact CZ-OE2 2.81Å; R38-E76 VanDerWaalsContact CZ-OE2 3.22Å; R38-E76 IonicContact NE-OE2 3.39Å; R38-E76 PolarHBondContact NE-OE2 3.03Å; R38-E76 IonicContact NH2-OE1 3.42Å; R38-E76 PolarHBondContact NH2-OE1 3.19Å; R38-E76 IonicContact NH2-OE2 3.26Å; R38-E76 PolarHBondContact NH2-OE2 2.91Å; R38-E76 PolarHBondContact O-N 3.12Å; R38-S77 PolarHBondContact N-O 2.76Å; R38-S77 PolarHBondContact O-N 2.69Å; R38-F150 HydrophobicContact CG-CD1 4.35Å; R38-T151 CarbonylContact C-O 3.46Å; R38-T151 WeakPolarHBondContact CA-O 3.23Å; R38-V152 HydrophobicContact CB-CG2 3.98Å; R38-V152 HydrophobicContact CG-CG2 3.83Å
39I98.8Very high97.5Very high0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans-115.7130.5-175.1-55.6173.4000108.1I37 I41 V74 V91 P93 F150 T151 V153 V158I37-I39 HydrophobicContact CD1-CD1 4.08Å; I37-I39 HydrophobicContact CD1-CG1 4Å; I37-I39 HydrophobicContact CG1-CD1 4.27Å; I37-I39 HydrophobicContact CG1-CG1 4.04Å; I39-I41 HydrophobicContact CB-CD1 4.36Å; I39-I41 HydrophobicContact CG2-CD1 3.86Å; I39-V74 WeakPolarHBondContact CA-O 3.31Å; I39-V91 HydrophobicContact CD1-CG2 3.86Å; I39-V91 HydrophobicContact CG1-CG2 4.06Å; I39-V91 HydrophobicContact CG2-CG2 3.85Å; I39-P93 HydrophobicContact CD1-CB 4.04Å; I39-P93 HydrophobicContact CD1-CG 4.44Å; I39-F150 WeakPolarHBondContact O-CA 3.36Å; I39-T151 HydrophobicContact CB-CG2 4.37Å; I39-T151 PolarHBondContact N-O 3.25Å; I39-T151 PolarHBondContact O-N 3.29Å; I39-V153 HydrophobicContact CD1-CG2 3.56Å; I39-V153 HydrophobicContact CG1-CG2 4.3Å; I39-V158 HydrophobicContact CD1-CG1 4.48Å; I39-V158 HydrophobicContact CD1-CG2 4.26Å
40K98.8Very high97.2Very high63 Ų6330.5 Ų30.527%0.27415%0.154SC..EExtended strand (participates in β ladder)trans-79.5113.1162.4-175.5-173.9172.7-157.30108.1G73 V74 E149 F150 P376K40-G73 CarbonylContact O-C 3.56Å; K40-G73 WeakPolarHBondContact O-CA 3.36Å; K40-V74 PolarHBondContact N-O 2.91Å; K40-V74 PolarHBondContact O-N 3.47Å; K40-E149 CarbonylContact C-O 3.56Å; K40-E149 WeakPolarHBondContact CA-O 3.47Å; K40-F150 HydrophobicContact CB-CD1 4.04Å; K40-F150 HydrophobicContact CB-CE1 3.55Å; K40-F150 HydrophobicContact CB-CZ 4.02Å; K40-F150 HydrophobicContact CD-CZ 4.19Å; K40-F150 HydrophobicContact CG-CE1 3.86Å; K40-F150 HydrophobicContact CG-CE2 4.37Å; K40-F150 HydrophobicContact CG-CZ 3.78Å; K40-P376 PolarHBondContact NZ-O 3.43Å
41I98.8Very high97Very high0 Ų029.5 Ų29.50%015%0.146CC..EExtended strand (participates in β ladder)trans-80.9124.9-179.1-57.4-64.7000109.1I39 A71 P93 S148 E149 T151 V374 S375I39-I41 HydrophobicContact CB-CD1 4.36Å; I39-I41 HydrophobicContact CG2-CD1 3.86Å; I41-A71 HydrophobicContact CD1-CB 4.08Å; I41-A71 HydrophobicContact CG2-CB 4.21Å; I41-P93 HydrophobicContact CD1-CG 4.34Å; I41-S148 WeakPolarHBondContact CB-O 3.31Å; I41-S148 WeakPolarHBondContact CG1-O 3.34Å; I41-E149 PolarHBondContact N-O 3.12Å; I41-T151 HydrophobicContact CD1-CG2 3.79Å; I41-T151 HydrophobicContact CG1-CG2 3.99Å; I41-V374 HydrophobicContact CB-CG1 4.3Å; I41-V374 HydrophobicContact CG2-CB 4.17Å; I41-V374 HydrophobicContact CG2-CG1 4.26Å; I41-V374 HydrophobicContact CG2-CG2 4.06Å; I41-S375 WeakPolarHBondContact O-CB 3.45Å; I41-S375 PolarHBondContact O-N 3.45Å; I41-S375 PolarHBondContact O-OG 2.97Å
42V98.6Very high96.7Very high8 Ų829 Ų295%0.04814%0.139CC..EExtended strand (participates in β ladder)trans-94.6-47.3179.21720000109.8A72 L167 V374 S375 Q377V42-A72 PolarHBondContact N-O 2.96Å; V42-L167 HydrophobicContact CB-CB 4.26Å; V42-L167 HydrophobicContact CB-CD1 3.82Å; V42-L167 HydrophobicContact CG1-CB 4.09Å; V42-L167 HydrophobicContact CG1-CD1 4.08Å; V42-L167 HydrophobicContact CG2-CD1 3.78Å; V42-V374 PolarHBondContact O-N 3.25Å; V42-S375 PolarHBondContact O-N 2.77Å; V42-Q377 HydrophobicContact CG1-CB 3.81Å; V42-Q377 HydrophobicContact CG1-CG 4.22Å
43A98.6Very high96.4Very high2 Ų229 Ų292%0.01714%0.137CC..EExtended strand (participates in β ladder)trans-140.1148.617900000111.6A71 A72 D168 V371 L372A43-A71 VanDerWaalsContact O-CA 3.3Å; A43-A71 WeakPolarHBondContact O-CA 3.48Å; A43-A72 PolarHBondContact N-O 2.99Å; A43-A72 PolarHBondContact O-N 3.05Å; A43-D168 HydrophobicContact CB-CB 4.09Å; A43-V371 HydrophobicContact CB-CG1 4.08Å; A43-L372 VanDerWaalsContact CA-O 3.31Å; A43-L372 WeakPolarHBondContact CA-O 3.43Å
44T98.6Very high96.2Very high0 Ų024.1 Ų24.10%012%0.115CC..EExtended strand (participates in β ladder)trans-142.2136.8176-170.80000112.2E70 S146 F147 L372 V374T44-E70 CarbonylContact C-O 3.57Å; T44-E70 WeakPolarHBondContact CA-O 3.33Å; T44-E70 WeakPolarHBondContact CB-O 3.31Å; T44-E70 PolarHBondContact OG1-O 2.81Å; T44-S146 WeakPolarHBondContact OG1-CB 3.36Å; T44-S146 PolarHBondContact OG1-OG 3.16Å; T44-F147 HydrophobicContact CG2-CD1 3.7Å; T44-F147 HydrophobicContact CG2-CE1 4.07Å; T44-L372 HydrophobicContact CG2-CB 3.93Å; T44-L372 HydrophobicContact CG2-CD1 4.17Å; T44-L372 HydrophobicContact CG2-CG 4.32Å; T44-L372 PolarHBondContact N-O 2.95Å; T44-L372 PolarHBondContact O-N 3.36Å; T44-V374 HydrophobicContact CG2-CG2 3.52Å
45G97.8Very high95.8Very high0 Ų018.5 Ų18.50%09%0.091CC..EExtended strand (participates in β ladder)trans-84.7144.8172.800000112E70 A370G45-E70 PolarHBondContact N-O 2.9Å; G45-A370 WeakPolarHBondContact CA-O 3.33Å
46V97.1Very high95.3Very high1 Ų120.3 Ų20.31%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-95.3121.9169.6-176.10000109.4L51 F147 A358 A370 L372V46-L51 HydrophobicContact CG1-CD1 3.82Å; V46-F147 HydrophobicContact CB-CZ 4.45Å; V46-F147 HydrophobicContact CG1-CZ 4.38Å; V46-F147 HydrophobicContact CG2-CE1 4.18Å; V46-F147 HydrophobicContact CG2-CZ 4.06Å; V46-A358 HydrophobicContact CB-CB 4.37Å; V46-A358 HydrophobicContact CG2-CB 3.87Å; V46-A370 PolarHBondContact N-O 3.03Å; V46-L372 HydrophobicContact CG2-CD1 3.75Å; V46-L372 HydrophobicContact CG2-CD2 4.15Å; V46-L372 HydrophobicContact CG2-CG 3.87Å
47C94.8Very high94.4Very high4 Ų419.5 Ų19.53%0.02710%0.095CC..  trans-116.5155.9-173.8174.30000112S49 D50 L51 H69 E70 R369C47-S49 PolarHBondContact O-N 3.29Å; C47-S49 PolarHBondContact SG-N 2.9Å; C47-D50 WeakPolarHBondContact CB-OD2 3.3Å; C47-D50 PolarHBondContact N-OD2 3.04Å; C47-D50 WeakPolarHBondContact O-CB 3.48Å; C47-D50 PolarHBondContact O-N 3.34Å; C47-L51 PolarHBondContact O-N 3.25Å; C47-H69 VanDerWaalsContact CB-CE1 3.49Å; C47-H69 WeakPolarHBondContact CB-CE1 3.49Å; C47-E70 HydrophobicContact CB-CG 4.42Å; C47-E70 WeakPolarHBondContact CB-OE1 3.41Å; C47-E70 PolarHBondContact SG-OE1 3.34Å; C47-R369 PolarHBondContact SG-NH2 3.48Å
48Q92.3Very high93.4Very high88 Ų8822.9 Ų22.941%0.41112%0.119SC..Hα-helixtrans-58.3-30.3176.4-165.265.120.600112.2L51 Y52Q48-L51 PolarHBondContact O-N 3.06Å; Q48-Y52 WeakPolarHBondContact O-CB 3.37Å; Q48-Y52 PolarHBondContact O-N 3.25Å
49S92.3Very high92.4Very high34 Ų3424.9 Ų24.924%0.23813%0.13CC..Hα-helixtrans-63.7-39.6175.2-52.30000111.8C47 L51 Y52 F53C47-S49 PolarHBondContact O-N 3.29Å; C47-S49 PolarHBondContact SG-N 2.9Å; S49-L51 VanDerWaalsContact C-N 3.32Å; S49-L51 PolarHBondContact O-N 2.79Å; S49-Y52 WeakPolarHBondContact O-CB 3.15Å; S49-Y52 PolarHBondContact O-N 2.81Å; S49-F53 VanDerWaalsContact O-CD2 3.3Å; S49-F53 WeakPolarHBondContact O-CD2 3.4Å; S49-F53 PolarHBondContact O-N 3.02Å
50D94Very high91.5Very high3 Ų330.6 Ų30.62%0.01616%0.156CC..Hα-helixtrans-62.2-44.1176.3-52.6-66.3000110.2C47 Y52 F53 L54 F67 G68 H69 F141 F147C47-D50 WeakPolarHBondContact CB-OD2 3.3Å; C47-D50 PolarHBondContact N-OD2 3.04Å; C47-D50 WeakPolarHBondContact O-CB 3.48Å; C47-D50 PolarHBondContact O-N 3.34Å; D50-Y52 PolarHBondContact O-N 3.04Å; D50-F53 PolarHBondContact O-N 2.99Å; D50-L54 VanDerWaalsContact O-CB 3.28Å; D50-L54 WeakPolarHBondContact O-CB 3.34Å; D50-L54 PolarHBondContact O-N 3.21Å; D50-F67 HydrophobicContact CB-CB 4.45Å; D50-G68 WeakPolarHBondContact OD1-CA 3.46Å; D50-G68 PolarHBondContact OD1-N 2.94Å; D50-G68 VanDerWaalsContact OD1-N 3.1Å; D50-H69 IonicContact OD1-CE1 2.84Å; D50-H69 IonicContact OD1-ND1 3.16Å; D50-H69 PolarHBondContact OD1-ND1 2.94Å; D50-H69 IonicContact OD2-CE1 3.54Å; D50-H69 PolarHBondContact OD2-CE1 2.94Å; D50-H69 IonicContact OD2-ND1 2.89Å; D50-H69 PolarHBondContact OD2-ND1 2.82Å; D50-F141 VanDerWaalsContact OD1-CE1 3.22Å; D50-F141 WeakPolarHBondContact OD1-CE1 3.5Å; D50-F147 HydrophobicContact CB-CE2 4.13Å; D50-F147 HydrophobicContact CB-CZ 4.2Å
51L93.7Very high90.4Very high4 Ų431.6 Ų31.62%0.02117%0.168CC..Hα-helixtrans-65.1-37.7176.2-85.363.5000112.5V46 C47 Q48 S49 L54 S55 V359 M362 K363V46-L51 HydrophobicContact CG1-CD1 3.82Å; C47-L51 PolarHBondContact O-N 3.25Å; Q48-L51 PolarHBondContact O-N 3.06Å; S49-L51 VanDerWaalsContact C-N 3.32Å; S49-L51 PolarHBondContact O-N 2.79Å; L51-L54 PolarHBondContact O-N 2.95Å; L51-S55 PolarHBondContact O-N 3.45Å; L51-S55 PolarHBondContact O-OG 2.88Å; L51-V359 HydrophobicContact CD1-CG1 4.49Å; L51-V359 HydrophobicContact CD1-CG2 4.08Å; L51-V359 HydrophobicContact CD2-CG1 4.39Å; L51-V359 HydrophobicContact CG-CG1 4.21Å; L51-M362 HydrophobicContact CD2-CB 3.63Å; L51-K363 HydrophobicContact CD2-CG 3.93Å
52Y91.8Very high89.7Confident27 Ų2732 Ų3211%0.10617%0.171CC..Hα-helixtrans-60.6-50.1177.8-176.1-89.6000110.5Q48 S49 D50 L54 S55 K56 C57 D297 M298Q48-Y52 WeakPolarHBondContact O-CB 3.37Å; Q48-Y52 PolarHBondContact O-N 3.25Å; S49-Y52 WeakPolarHBondContact O-CB 3.15Å; S49-Y52 PolarHBondContact O-N 2.81Å; D50-Y52 PolarHBondContact O-N 3.04Å; Y52-L54 VanDerWaalsContact C-N 3.34Å; Y52-S55 PolarHBondContact O-N 3.26Å; Y52-K56 HydrophobicContact CD2-CB 3.98Å; Y52-K56 HydrophobicContact CD2-CD 4.35Å; Y52-K56 HydrophobicContact CE2-CB 4.16Å; Y52-K56 HydrophobicContact CG-CB 4.41Å; Y52-K56 CarbonylContact O-C 3.49Å; Y52-K56 WeakPolarHBondContact O-CA 3.48Å; Y52-K56 PolarHBondContact O-N 3.27Å; Y52-C57 HydrophobicContact CD1-CB 3.95Å; Y52-C57 HydrophobicContact CE1-CB 3.77Å; Y52-C57 PolarHBondContact O-N 3.05Å; Y52-D297 VanDerWaalsContact CE1-OD1 3.3Å; Y52-D297 WeakPolarHBondContact CE1-OD1 3.44Å; Y52-D297 VanDerWaalsContact CZ-OD1 3.3Å; Y52-D297 PolarHBondContact OH-N 2.87Å; Y52-D297 VanDerWaalsContact OH-N 3.08Å; Y52-D297 PolarHBondContact OH-OD1 3.22Å; Y52-M298 WeakPolarHBondContact OH-CG 3.45Å
53F91.7Very high89.4Confident16 Ų1633 Ų337%0.0718%0.175CC..Hα-helixtrans-71-29.8177.1-75.8-81.9000113S49 D50 C57 F67 I121 F141S49-F53 VanDerWaalsContact O-CD2 3.3Å; S49-F53 WeakPolarHBondContact O-CD2 3.4Å; S49-F53 PolarHBondContact O-N 3.02Å; D50-F53 PolarHBondContact O-N 2.99Å; F53-C57 HydrophobicContact CD1-CB 3.68Å; F53-C57 HydrophobicContact CE1-CB 4.14Å; F53-C57 HydrophobicContact CG-CB 4.27Å; F53-C57 PolarHBondContact O-SG 3.37Å; F53-F67 HydrophobicContact CB-CE1 3.68Å; F53-F67 HydrophobicContact CB-CZ 4.21Å; F53-I121 HydrophobicContact CD1-CD1 3.43Å; F53-I121 VanDerWaalsContact CD1-CD1 3.43Å; F53-I121 HydrophobicContact CD1-CG1 4.38Å; F53-I121 HydrophobicContact CE1-CD1 3.67Å; F53-I121 HydrophobicContact CE1-CG1 4.13Å; F53-I121 HydrophobicContact CG-CD1 4.07Å; F53-I121 HydrophobicContact CZ-CD1 4.47Å; F53-F141 HydrophobicContact CB-CE2 3.82Å; F53-F141 HydrophobicContact CB-CZ 4.29Å; F53-F141 HydrophobicContact CD1-CE2 4.34Å; F53-F141 AromaticContact CD2-CE2 3.54Å; F53-F141 HydrophobicContact CD2-CE2 3.54Å; F53-F141 AromaticContact CD2-CZ 3.6Å; F53-F141 HydrophobicContact CD2-CZ 3.6Å; F53-F141 HydrophobicContact CE2-CE2 4.17Å; F53-F141 HydrophobicContact CE2-CZ 4.21Å; F53-F141 AromaticContact CG-CE2 3.64Å; F53-F141 HydrophobicContact CG-CE2 3.64Å; F53-F141 HydrophobicContact CG-CZ 4.12Å
54L92.8Very high89.2Confident8 Ų833.9 Ų33.94%0.04218%0.181CC..Hα-helixtrans-65.5-38174179.663.4000112.9A15 F18 N19 L22 D50 L51 Y52 F63 F67A15-L54 HydrophobicContact CB-CD1 3.83Å; F18-L54 WeakPolarHBondContact CD2-O 3.43Å; N19-L54 WeakPolarHBondContact CA-O 3.44Å; N19-L54 PolarHBondContact N-O 2.97Å; L22-L54 HydrophobicContact CD1-CD2 4Å; D50-L54 VanDerWaalsContact O-CB 3.28Å; D50-L54 WeakPolarHBondContact O-CB 3.34Å; D50-L54 PolarHBondContact O-N 3.21Å; L51-L54 PolarHBondContact O-N 2.95Å; Y52-L54 VanDerWaalsContact C-N 3.34Å; L54-F63 HydrophobicContact CD1-CE1 4.28Å; L54-F67 HydrophobicContact CB-CE2 4Å; L54-F67 HydrophobicContact CB-CZ 4.25Å; L54-F67 HydrophobicContact CD1-CD2 4.49Å; L54-F67 HydrophobicContact CD1-CE2 3.77Å; L54-F67 HydrophobicContact CG-CE2 4.47Å
55S90Very high89.1Confident24 Ų2433.9 Ų33.917%0.16818%0.181CC..Hα-helixtrans-136.7-7.7-162.663.10000117.1F18 N19 L51 Y52F18-S55 VanDerWaalsContact CZ-O 3.25Å; F18-S55 WeakPolarHBondContact CZ-O 3.4Å; N19-S55 VanDerWaalsContact OD1-CB 3.25Å; N19-S55 WeakPolarHBondContact OD1-CB 3.36Å; L51-S55 PolarHBondContact O-N 3.45Å; L51-S55 PolarHBondContact O-OG 2.88Å; Y52-S55 PolarHBondContact O-N 3.26Å
56K85.8Confident89.1Confident124 Ų12433.9 Ų33.954%0.53918%0.181SC..THydrogen-bonded Turntrans-133.5-22.8-172.8-63.7-172.2178-172.20115.6Y52Y52-K56 HydrophobicContact CD2-CB 3.98Å; Y52-K56 HydrophobicContact CD2-CD 4.35Å; Y52-K56 HydrophobicContact CE2-CB 4.16Å; Y52-K56 HydrophobicContact CG-CB 4.41Å; Y52-K56 CarbonylContact O-C 3.49Å; Y52-K56 WeakPolarHBondContact O-CA 3.48Å; Y52-K56 PolarHBondContact O-N 3.27Å
57C79.3Confident89.1Confident3 Ų334 Ų342%0.0218%0.181CC..  trans-63.5154.9-170.772.30000113.4Y52 F53 N59Y52-C57 HydrophobicContact CD1-CB 3.95Å; Y52-C57 HydrophobicContact CE1-CB 3.77Å; Y52-C57 PolarHBondContact O-N 3.05Å; F53-C57 HydrophobicContact CD1-CB 3.68Å; F53-C57 HydrophobicContact CE1-CB 4.14Å; F53-C57 HydrophobicContact CG-CB 4.27Å; F53-C57 PolarHBondContact O-SG 3.37Å; C57-N59 VanDerWaalsContact C-N 3.26Å; C57-N59 PolarHBondContact O-N 2.93Å; C57-N59 PolarHBondContact SG-O 2.89Å
58S76.4Confident89.2Confident71 Ų7133.9 Ų33.950%0.49718%0.18SC..SBendtrans-63.4-32.7177.366.90000112.8Q60 D297S58-Q60 PolarHBondContact O-N 3.41Å; S58-D297 PolarHBondContact OG-OD2 2.79Å
59N77.6Confident89.4Confident43 Ų4329.8 Ų29.823%0.2316%0.161CC..  trans-91.789.2-176.3-172.6-0.7000112.4C57 T61C57-N59 VanDerWaalsContact C-N 3.26Å; C57-N59 PolarHBondContact O-N 2.93Å; C57-N59 PolarHBondContact SG-O 2.89Å; N59-T61 PolarHBondContact OD1-N 2.85Å; N59-T61 PolarHBondContact OD1-OG1 3.37Å
60Q80.9Confident89.7Confident119 Ų11928.1 Ų28.156%0.55615%0.15SC*.THydrogen-bonded Turntrans-83.3-4.6-178.5-60.3-179.64.500114.3F18 S58 F63F18-Q60 HydrophobicContact CD1-CG 4.29Å; F18-Q60 HydrophobicContact CD2-CB 4.41Å; F18-Q60 HydrophobicContact CD2-CG 4.04Å; F18-Q60 HydrophobicContact CE1-CG 4.25Å; F18-Q60 HydrophobicContact CE2-CG 3.99Å; F18-Q60 HydrophobicContact CG-CB 4.39Å; F18-Q60 HydrophobicContact CG-CG 4.17Å; F18-Q60 HydrophobicContact CZ-CG 4.09Å; S58-Q60 PolarHBondContact O-N 3.41Å; Q60-F63 WeakPolarHBondContact O-CD2 3.41Å
61T76.1Confident89.9Confident85 Ų8528 Ų2852%0.52115%0.149SC..THydrogen-bonded Turntrans-87.8-4.3-17956.20000113.2N59 F63 E123N59-T61 PolarHBondContact OD1-N 2.85Å; N59-T61 PolarHBondContact OD1-OG1 3.37Å; T61-F63 PolarHBondContact O-N 2.98Å; T61-E123 PolarHBondContact OG1-OE1 2.67Å
62A83.8Confident90.1Very high7 Ų727.8 Ų27.86%0.05815%0.148CC..  trans-78.544.5-175.500000114.5I121 L139A62-I121 HydrophobicContact CB-CG2 4.08Å; A62-L139 HydrophobicContact CB-CD2 3.8Å; A62-L139 WeakPolarHBondContact O-CD2 3.31Å
63F92.1Very high90.4Very high29 Ų2926.5 Ų26.513%0.12714%0.143CC..  trans-135.4149.4-178.1-64.9-94.7000111.4A15 E17 F18 L54 Q60 T61 V65 F67 F126A15-F63 HydrophobicContact CB-CD1 4.12Å; A15-F63 HydrophobicContact CB-CE1 3.93Å; E17-F63 WeakPolarHBondContact O-CE1 3.4Å; F18-F63 HydrophobicContact CB-CD2 4.2Å; F18-F63 HydrophobicContact CB-CE2 3.73Å; F18-F63 HydrophobicContact CB-CZ 4.04Å; F18-F63 AromaticContact CD2-CE2 3.79Å; F18-F63 HydrophobicContact CD2-CE2 3.79Å; F18-F63 AromaticContact CD2-CZ 3.94Å; F18-F63 HydrophobicContact CD2-CZ 3.94Å; F18-F63 HydrophobicContact CG-CE2 4.27Å; F18-F63 HydrophobicContact CG-CZ 4.48Å; L54-F63 HydrophobicContact CD1-CE1 4.28Å; Q60-F63 WeakPolarHBondContact O-CD2 3.41Å; T61-F63 PolarHBondContact O-N 2.98Å; F63-V65 HydrophobicContact CD1-CG1 3.79Å; F63-V65 HydrophobicContact CE1-CG1 3.9Å; F63-V65 HydrophobicContact CG-CG1 4.5Å; F63-F67 HydrophobicContact CE1-CE2 4.08Å; F63-F67 HydrophobicContact CE1-CZ 4.1Å; F63-F67 HydrophobicContact CZ-CZ 4.21Å; F63-F126 WeakPolarHBondContact O-CZ 3.45Å
64P94.9Very high90.8Very high22 Ų2227.2 Ų27.214%0.14315%0.148CC..SBendcis-79.1151.41.534.6-38.1000112.8V14 A15 W16 F126 L138 L139V14-P64 HydrophobicContact CG1-CB 4.38Å; A15-P64 CarbonylContact O-C 3.58Å; A15-P64 VanDerWaalsContact O-CA 3.27Å; A15-P64 WeakPolarHBondContact O-CA 3.41Å; W16-P64 HydrophobicContact CD2-CB 4.35Å; W16-P64 HydrophobicContact CE3-CB 3.6Å; W16-P64 HydrophobicContact CE3-CG 4.1Å; W16-P64 HydrophobicContact CZ3-CB 3.97Å; W16-P64 HydrophobicContact CZ3-CG 4.02Å; P64-F126 WeakPolarHBondContact O-CE1 3.32Å; P64-L138 HydrophobicContact CB-CD2 3.84Å; P64-L138 HydrophobicContact CG-CD2 3.6Å; P64-L139 WeakPolarHBondContact O-CB 3.29Å; P64-L139 PolarHBondContact O-N 3.24Å
65V95.6Very high91.1Very high0 Ų026.8 Ų26.80%015%0.146CC..EExtended strand (participates in β ladder)trans-143.6148-170.5600000112A15 F63 F67 L139 F141A15-V65 HydrophobicContact CB-CG1 3.92Å; A15-V65 PolarHBondContact N-O 3.25Å; A15-V65 PolarHBondContact O-N 2.85Å; F63-V65 HydrophobicContact CD1-CG1 3.79Å; F63-V65 HydrophobicContact CE1-CG1 3.9Å; F63-V65 HydrophobicContact CG-CG1 4.5Å; V65-F67 HydrophobicContact CG1-CD1 4.48Å; V65-F67 HydrophobicContact CG1-CD2 3.93Å; V65-F67 HydrophobicContact CG1-CE1 3.98Å; V65-F67 HydrophobicContact CG1-CE2 3.39Å; V65-F67 HydrophobicContact CG1-CG 4.45Å; V65-F67 HydrophobicContact CG1-CZ 3.41Å; V65-F67 VanDerWaalsContact CG1-CZ 3.41Å; V65-F67 HydrophobicContact CG2-CD1 4.4Å; V65-F67 HydrophobicContact CG2-CE1 4.31Å; V65-L139 WeakPolarHBondContact CA-O 3.24Å; V65-L139 HydrophobicContact CB-CB 3.88Å; V65-L139 HydrophobicContact CB-CD2 4.34Å; V65-L139 HydrophobicContact CG2-CB 3.91Å; V65-L139 HydrophobicContact CG2-CD2 4.13Å; V65-L139 HydrophobicContact CG2-CG 4.16Å; V65-L139 WeakPolarHBondContact CG2-O 3.35Å; V65-F141 HydrophobicContact CG2-CB 3.98Å
66V97.4Very high91.5Very high0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-101.9112.8164.4-179.30000108.5A12 V14 I131 L138 L139 F141 S145 F147A12-V66 HydrophobicContact CB-CG1 4.44Å; A12-V66 HydrophobicContact CB-CG2 4.39Å; V14-V66 HydrophobicContact CG2-CG2 4.28Å; V66-I131 HydrophobicContact CB-CD1 4.31Å; V66-I131 HydrophobicContact CG2-CD1 4.31Å; V66-I131 HydrophobicContact CG2-CG2 4.26Å; V66-L138 HydrophobicContact CG2-CB 4.31Å; V66-L138 HydrophobicContact CG2-CD1 3.77Å; V66-L139 PolarHBondContact N-O 2.84Å; V66-F141 VanDerWaalsContact O-CB 3.25Å; V66-F141 WeakPolarHBondContact O-CB 3.34Å; V66-F141 PolarHBondContact O-N 3.41Å; V66-S145 WeakPolarHBondContact O-CB 3.25Å; V66-S145 PolarHBondContact O-OG 3.15Å; V66-F147 HydrophobicContact CG1-CB 4.36Å
67F97.4Very high92.1Very high4 Ų420.6 Ų20.62%0.01812%0.117CC..  trans-78.8-171.2178.9-73.2-66.7000112.7A15 L22 D50 F53 L54 F63 V65 F141 S145 S146 F147A15-F67 HydrophobicContact CB-CD2 3.76Å; A15-F67 HydrophobicContact CB-CE2 3.45Å; A15-F67 VanDerWaalsContact CB-CE2 3.45Å; L22-F67 HydrophobicContact CD2-CD2 4.36Å; D50-F67 HydrophobicContact CB-CB 4.45Å; F53-F67 HydrophobicContact CB-CE1 3.68Å; F53-F67 HydrophobicContact CB-CZ 4.21Å; L54-F67 HydrophobicContact CB-CE2 4Å; L54-F67 HydrophobicContact CB-CZ 4.25Å; L54-F67 HydrophobicContact CD1-CD2 4.49Å; L54-F67 HydrophobicContact CD1-CE2 3.77Å; L54-F67 HydrophobicContact CG-CE2 4.47Å; F63-F67 HydrophobicContact CE1-CE2 4.08Å; F63-F67 HydrophobicContact CE1-CZ 4.1Å; F63-F67 HydrophobicContact CZ-CZ 4.21Å; V65-F67 HydrophobicContact CG1-CD1 4.48Å; V65-F67 HydrophobicContact CG1-CD2 3.93Å; V65-F67 HydrophobicContact CG1-CE1 3.98Å; V65-F67 HydrophobicContact CG1-CE2 3.39Å; V65-F67 HydrophobicContact CG1-CG 4.45Å; V65-F67 HydrophobicContact CG1-CZ 3.41Å; V65-F67 VanDerWaalsContact CG1-CZ 3.41Å; V65-F67 HydrophobicContact CG2-CD1 4.4Å; V65-F67 HydrophobicContact CG2-CE1 4.31Å; F67-F141 HydrophobicContact CB-CD1 4.48Å; F67-F141 HydrophobicContact CD1-CB 4Å; F67-F141 AromaticContact CD1-CD1 3.84Å; F67-F141 HydrophobicContact CD1-CD1 3.84Å; F67-F141 AromaticContact CD1-CD2 3.58Å; F67-F141 HydrophobicContact CD1-CD2 3.58Å; F67-F141 HydrophobicContact CD1-CE1 4.14Å; F67-F141 AromaticContact CD1-CE2 3.92Å; F67-F141 HydrophobicContact CD1-CE2 3.92Å; F67-F141 AromaticContact CD1-CG 3.54Å; F67-F141 HydrophobicContact CD1-CG 3.54Å; F67-F141 HydrophobicContact CD1-CZ 4.18Å; F67-F141 AromaticContact CE1-CD2 3.72Å; F67-F141 HydrophobicContact CE1-CD2 3.72Å; F67-F141 AromaticContact CE1-CE2 3.92Å; F67-F141 HydrophobicContact CE1-CE2 3.92Å; F67-F141 HydrophobicContact CE1-CG 4.16Å; F67-F141 HydrophobicContact CE1-CZ 4.5Å; F67-S145 CarbonylContact O-C 3.54Å; F67-S145 VanDerWaalsContact O-C 3.31Å; F67-S145 WeakPolarHBondContact O-CA 3.41Å; F67-S146 PolarHBondContact O-N 2.83Å; F67-F147 VanDerWaalsContact C-CD2 3.41Å; F67-F147 HydrophobicContact CB-CD2 3.5Å; F67-F147 VanDerWaalsContact CB-CD2 3.5Å; F67-F147 HydrophobicContact CB-CE2 3.58Å; F67-F147 WeakPolarHBondContact O-CB 3.34Å; F67-F147 WeakPolarHBondContact O-CG 3.5Å; F67-F147 PolarHBondContact O-N 2.95Å
68G97.4Very high93Very high0 Ų023.2 Ų23.20%013%0.13CC..  trans96.1127.617800000111.9D50 T144 S145 S146 F147D50-G68 WeakPolarHBondContact OD1-CA 3.46Å; D50-G68 PolarHBondContact OD1-N 2.94Å; D50-G68 VanDerWaalsContact OD1-N 3.1Å; G68-T144 PolarHBondContact O-OG1 2.96Å; G68-S145 WeakPolarHBondContact O-CA 3.47Å; G68-S145 PolarHBondContact O-N 2.79Å; G68-S146 VanDerWaalsContact CA-OG 3.31Å; G68-S146 WeakPolarHBondContact CA-OG 3.46Å; G68-S146 PolarHBondContact O-N 2.94Å; G68-S146 PolarHBondContact O-OG 3.33Å; G68-F147 VanDerWaalsContact CA-CE1 3.45Å
69H97.1Very high94.1Very high2 Ų220.2 Ų20.21%0.00911%0.11CC..  trans-144.70.7-179.866.8-76.3000114.1C47 D50 F141 L142 T144 S146 C175C47-H69 VanDerWaalsContact CB-CE1 3.49Å; C47-H69 WeakPolarHBondContact CB-CE1 3.49Å; D50-H69 IonicContact OD1-CE1 2.84Å; D50-H69 IonicContact OD1-ND1 3.16Å; D50-H69 PolarHBondContact OD1-ND1 2.94Å; D50-H69 IonicContact OD2-CE1 3.54Å; D50-H69 PolarHBondContact OD2-CE1 2.94Å; D50-H69 IonicContact OD2-ND1 2.89Å; D50-H69 PolarHBondContact OD2-ND1 2.82Å; H69-F141 HydrophobicContact CB-CD1 4.46Å; H69-F141 HydrophobicContact CB-CE1 4.37Å; H69-F141 AromaticContact ND1-CE1 3.67Å; H69-L142 HydrophobicContact CB-CB 4.42Å; H69-L142 HydrophobicContact CB-CD1 4.08Å; H69-T144 VanDerWaalsContact CA-OG1 3.27Å; H69-T144 WeakPolarHBondContact CA-OG1 3.45Å; H69-T144 VanDerWaalsContact CB-OG1 3.29Å; H69-T144 WeakPolarHBondContact CB-OG1 3.42Å; H69-S146 PolarHBondContact N-OG 2.74Å; H69-C175 PolarHBondContact NE2-SG 3.01Å
70E97.6Very high95Very high0 Ų022.3 Ų22.30%013%0.126CC..EExtended strand (participates in β ladder)trans-106.8102.6171-71.8-176.5-170.100106.8T44 G45 C47 C171 L172 C175 R369T44-E70 CarbonylContact C-O 3.57Å; T44-E70 WeakPolarHBondContact CA-O 3.33Å; T44-E70 WeakPolarHBondContact CB-O 3.31Å; T44-E70 PolarHBondContact OG1-O 2.81Å; G45-E70 PolarHBondContact N-O 2.9Å; C47-E70 HydrophobicContact CB-CG 4.42Å; C47-E70 WeakPolarHBondContact CB-OE1 3.41Å; C47-E70 PolarHBondContact SG-OE1 3.34Å; E70-C171 CarbonylContact C-O 3.58Å; E70-L172 VanDerWaalsContact OE2-CD2 3.26Å; E70-L172 WeakPolarHBondContact OE2-CD2 3.47Å; E70-C175 HydrophobicContact CG-CB 3.37Å; E70-C175 WeakPolarHBondContact OE1-CB 3.14Å; E70-R369 IonicContact OE1-CZ 2.9Å; E70-R369 IonicContact OE1-NE 2.67Å; E70-R369 PolarHBondContact OE1-NE 2.71Å; E70-R369 IonicContact OE1-NH2 3.04Å; E70-R369 PolarHBondContact OE1-NH2 3.25Å; E70-R369 VanDerWaalsContact OE1-NH2 3.13Å; E70-R369 IonicContact OE2-NE 3.45Å; E70-R369 PolarHBondContact OE2-NE 3.24Å; E70-R369 VanDerWaalsContact OE2-NE 3.12Å
71A98.4Very high95.8Very high0 Ų018.7 Ų18.70%012%0.12CC..EExtended strand (participates in β ladder)trans-150.9160-176.100000114I41 A43 I92 P93 C171I41-A71 HydrophobicContact CD1-CB 4.08Å; I41-A71 HydrophobicContact CG2-CB 4.21Å; A43-A71 VanDerWaalsContact O-CA 3.3Å; A43-A71 WeakPolarHBondContact O-CA 3.48Å; A71-I92 WeakPolarHBondContact O-CG2 3.28Å; A71-P93 HydrophobicContact CB-CG 3.9Å; A71-P93 WeakPolarHBondContact O-CD 3.5Å; A71-C171 PolarHBondContact N-O 2.85Å
72A98.7Very high96.8Very high0 Ų015.2 Ų15.20%010%0.099CC..EExtended strand (participates in β ladder)trans-139.9146.7166.900000109.5V42 A43 V91 I92 L167 V170 C171V42-A72 PolarHBondContact N-O 2.96Å; A43-A72 PolarHBondContact N-O 2.99Å; A43-A72 PolarHBondContact O-N 3.05Å; A72-V91 WeakPolarHBondContact CA-O 3.42Å; A72-I92 HydrophobicContact CB-CG1 4.11Å; A72-L167 HydrophobicContact CB-CB 3.79Å; A72-L167 HydrophobicContact CB-CD2 3.78Å; A72-L167 HydrophobicContact CB-CG 4.28Å; A72-L167 WeakPolarHBondContact CB-O 3.35Å; A72-V170 HydrophobicContact CB-CG2 4.16Å; A72-C171 HydrophobicContact CB-CB 3.95Å
73G98.6Very high97.5Very high0 Ų020.7 Ų20.70%013%0.132CC..EExtended strand (participates in β ladder)trans-166.9-167.1-173.200000113.2K40 V91K40-G73 CarbonylContact O-C 3.56Å; K40-G73 WeakPolarHBondContact O-CA 3.36Å; G73-V91 PolarHBondContact N-O 3.34Å; G73-V91 PolarHBondContact O-N 2.69Å
74V98.7Very high97.7Very high30 Ų3023.1 Ų23.118%0.18214%0.144CC..EExtended strand (participates in β ladder)trans-124.5135.4-177.9-176.80000108.9I39 K40 E76 D89 L167I39-V74 WeakPolarHBondContact CA-O 3.31Å; K40-V74 PolarHBondContact N-O 2.91Å; K40-V74 PolarHBondContact O-N 3.47Å; V74-E76 PolarHBondContact O-N 3.17Å; V74-D89 CarbonylContact C-O 3.56Å; V74-D89 WeakPolarHBondContact CA-O 3.46Å; V74-L167 HydrophobicContact CG2-CD1 4.38Å
75V98.8Very high97.8Very high0 Ų022.5 Ų22.50%014%0.139CC..EExtended strand (participates in β ladder)trans-62.9122.3174.4-1800000109I37 I78 Q86 P87 G88 D89 V91I37-V75 HydrophobicContact CD1-CG2 3.95Å; V75-I78 HydrophobicContact CG1-CG2 3.83Å; V75-Q86 WeakPolarHBondContact CB-O 3.11Å; V75-P87 CarbonylContact O-C 3.57Å; V75-P87 WeakPolarHBondContact O-CA 3.39Å; V75-G88 PolarHBondContact O-N 2.89Å; V75-D89 HydrophobicContact CB-CB 4.31Å; V75-D89 HydrophobicContact CG2-CB 3.91Å; V75-D89 PolarHBondContact N-O 3.06Å; V75-V91 HydrophobicContact CG2-CB 4.4Å; V75-V91 HydrophobicContact CG2-CG1 3.61Å; V75-V91 HydrophobicContact CG2-CG2 3.85Å
76E98.6Very high97.9Very high13 Ų1328.1 Ų28.16%0.06117%0.165CC..EExtended strand (participates in β ladder)trans-91.6-45.9175.7178.4-83.7161.300111.5T3 R38 V74 F150T3-E76 VanDerWaalsContact CB-OE1 3.31Å; T3-E76 WeakPolarHBondContact CB-OE1 3.45Å; T3-E76 PolarHBondContact OG1-OE1 3.06Å; R38-E76 IonicContact CZ-OE2 2.81Å; R38-E76 VanDerWaalsContact CZ-OE2 3.22Å; R38-E76 IonicContact NE-OE2 3.39Å; R38-E76 PolarHBondContact NE-OE2 3.03Å; R38-E76 IonicContact NH2-OE1 3.42Å; R38-E76 PolarHBondContact NH2-OE1 3.19Å; R38-E76 IonicContact NH2-OE2 3.26Å; R38-E76 PolarHBondContact NH2-OE2 2.91Å; R38-E76 PolarHBondContact O-N 3.12Å; V74-E76 PolarHBondContact O-N 3.17Å; E76-F150 HydrophobicContact CB-CD1 4.44Å; E76-F150 HydrophobicContact CB-CE1 4.01Å; E76-F150 HydrophobicContact CG-CE1 3.92Å
77S98.6Very high98Very high4 Ų430.9 Ų30.93%0.02818%0.183CC..EExtended strand (participates in β ladder)trans-151.4160.117659.10000111.4P32 R38P32-S77 WeakPolarHBondContact CD-OG 3.49Å; R38-S77 PolarHBondContact N-O 2.76Å; R38-S77 PolarHBondContact O-N 2.69Å
78I98.6Very high98Very high59 Ų5932.7 Ų32.730%0.30320%0.203SC..EExtended strand (participates in β ladder)trans-120.3146.4178.265176.4000109.6I37 V75 V82 F85I37-I78 HydrophobicContact CB-CG2 4.44Å; I37-I78 HydrophobicContact CG2-CB 4.29Å; I37-I78 HydrophobicContact CG2-CG2 3.86Å; V75-I78 HydrophobicContact CG1-CG2 3.83Å; I78-V82 HydrophobicContact CB-CB 4.04Å; I78-V82 HydrophobicContact CB-CG1 3.96Å; I78-V82 HydrophobicContact CD1-CB 4.42Å; I78-V82 HydrophobicContact CD1-CG1 4.36Å; I78-V82 HydrophobicContact CG2-CG1 3.97Å; I78-F85 WeakPolarHBondContact CD1-O 3.44Å; I78-F85 HydrophobicContact CG2-CB 4.28Å
79G98.3Very high98.1Very high8 Ų833.3 Ų33.38%0.08221%0.206CC..  trans-87.9175.1172.100000113Q33 E36 V82Q33-G79 WeakPolarHBondContact O-CA 3.36Å; E36-G79 PolarHBondContact O-N 2.84Å; G79-V82 WeakPolarHBondContact O-CG2 3.42Å; G79-V82 PolarHBondContact O-N 2.9Å
80P98.1Very high98.1Very high87 Ų8734 Ų3457%0.56521%0.21SC*.THydrogen-bonded Turntrans-54.2143.9178.6-26.935.4000113.2E34 K35 V82E34-P80 CarbonylContact C-O 3.49Å; E34-P80 WeakPolarHBondContact CA-O 3.49Å; E34-P80 HydrophobicContact CB-CB 4.49Å; K35-P80 PolarHBondContact N-O 2.74Å; P80-V82 PolarHBondContact O-N 3.34Å
81G97.1Very high98.2Very high42 Ų4234 Ų3443%0.43321%0.21SC..THydrogen-bonded Turntrans77.1-4.8176.300000115.5K35K35-G81 VanDerWaalsContact CE-O 3.31Å; K35-G81 WeakPolarHBondContact CE-O 3.49Å; K35-G81 PolarHBondContact NZ-O 2.97Å
82V97.9Very high98.2Very high13 Ų1334 Ų348%0.07921%0.21CC..  trans-74.7126.3172.5174.20000110E36 I37 I78 G79 P80 F85 E155E36-V82 WeakPolarHBondContact O-CG2 3.32Å; I37-V82 HydrophobicContact CG2-CB 4.5Å; I37-V82 HydrophobicContact CG2-CG1 3.8Å; I37-V82 HydrophobicContact CG2-CG2 4Å; I78-V82 HydrophobicContact CB-CB 4.04Å; I78-V82 HydrophobicContact CB-CG1 3.96Å; I78-V82 HydrophobicContact CD1-CB 4.42Å; I78-V82 HydrophobicContact CD1-CG1 4.36Å; I78-V82 HydrophobicContact CG2-CG1 3.97Å; G79-V82 WeakPolarHBondContact O-CG2 3.42Å; G79-V82 PolarHBondContact O-N 2.9Å; P80-V82 PolarHBondContact O-N 3.34Å; V82-F85 HydrophobicContact CG1-CB 4Å; V82-F85 HydrophobicContact CG1-CD2 4.11Å; V82-E155 VanDerWaalsContact CA-OE2 3.28Å; V82-E155 WeakPolarHBondContact CA-OE2 3.31Å; V82-E155 WeakPolarHBondContact CG1-OE2 3.31Å; V82-E155 HydrophobicContact CG2-CB 4.24Å
83T96.9Very high98.2Very high121 Ų12134 Ų3474%0.74221%0.21SC*.  trans-127.5-20.2-177.6570000113.8F85T83-F85 VanDerWaalsContact C-N 3.33Å
84E96.4Very high98.1Very high81 Ų8134 Ų3438%0.37921%0.21SC..SBendtrans-83-10-179.2-68.6-170.4-118.600113.5R100 K325E84-R100 IonicContact OE1-NH1 3.16Å; E84-R100 IonicContact OE2-CZ 3.66Å; E84-R100 IonicContact OE2-NH1 2.9Å; E84-R100 PolarHBondContact OE2-NH1 2.81Å; E84-K325 IonicContact OE1-NZ 3.74Å; E84-K325 PolarHBondContact OE1-NZ 2.88Å; E84-K325 IonicContact OE2-NZ 3.9Å; E84-K325 PolarHBondContact OE2-NZ 2.92Å
85F98.2Very high97.8Very high9 Ų933.4 Ų33.44%0.03921%0.205CC..  trans-135153.1-172.8-57.4-83.1000112I37 I78 V82 T83 D89 V91 E155 V158 K160I37-F85 HydrophobicContact CD1-CD1 4.46Å; I37-F85 HydrophobicContact CD1-CG 4.31Å; I37-F85 HydrophobicContact CG2-CB 4.43Å; I37-F85 HydrophobicContact CG2-CD2 4.44Å; I78-F85 WeakPolarHBondContact CD1-O 3.44Å; I78-F85 HydrophobicContact CG2-CB 4.28Å; V82-F85 HydrophobicContact CG1-CB 4Å; V82-F85 HydrophobicContact CG1-CD2 4.11Å; T83-F85 VanDerWaalsContact C-N 3.33Å; F85-D89 WeakPolarHBondContact CA-OD2 3.39Å; F85-V91 HydrophobicContact CD1-CG1 4.01Å; F85-V91 HydrophobicContact CE1-CG1 4.01Å; F85-E155 HydrophobicContact CD2-CB 4.13Å; F85-E155 HydrophobicContact CE2-CB 4.01Å; F85-E155 WeakPolarHBondContact CE2-O 3.36Å; F85-V158 HydrophobicContact CD1-CG1 4.35Å; F85-V158 HydrophobicContact CE1-CB 4.06Å; F85-V158 HydrophobicContact CE1-CG1 3.61Å; F85-V158 HydrophobicContact CE2-CB 4.3Å; F85-V158 HydrophobicContact CZ-CB 3.71Å; F85-V158 HydrophobicContact CZ-CG1 3.81Å; F85-V158 WeakPolarHBondContact CZ-O 3.4Å; F85-K160 HydrophobicContact CD1-CB 4.39Å; F85-K160 HydrophobicContact CE1-CB 3.85Å
86Q98.1Very high97.6Very high118 Ų11833.5 Ų33.555%0.55121%0.206SC*.  trans-139.8158.5171.163.4-178.823.500110.9V75 G88 D89V75-Q86 WeakPolarHBondContact CB-O 3.11Å; Q86-G88 PolarHBondContact O-N 3.26Å; Q86-D89 PolarHBondContact N-OD2 2.76Å; Q86-D89 WeakPolarHBondContact O-CB 3.26Å; Q86-D89 VanDerWaalsContact O-CG 3.32Å; Q86-D89 PolarHBondContact O-N 3.14Å; Q86-D89 VanDerWaalsContact O-N 3.16Å
87P98.4Very high97.3Very high58 Ų5833 Ų3338%0.37720%0.204SC..THydrogen-bonded Turntrans-51.2135.8171.3-26.935.8000112.3M1 V75M1-P87 HydrophobicContact CE-CB 3.69Å; M1-P87 HydrophobicContact SD-CB 4.3Å; V75-P87 CarbonylContact O-C 3.57Å; V75-P87 WeakPolarHBondContact O-CA 3.39Å
88G97.8Very high97.2Very high41 Ų4133.3 Ų33.342%0.42321%0.205SC..THydrogen-bonded Turntrans93.1-11.2-176.500000114.8V75 Q86 T90V75-G88 PolarHBondContact O-N 2.89Å; Q86-G88 PolarHBondContact O-N 3.26Å; G88-T90 PolarHBondContact O-N 3.2Å
89D98.6Very high97.1Very high14 Ų1431.6 Ų31.68%0.07520%0.198CC..  trans-65.6134.6175.5-76.7-21.5000111.6V74 V75 F85 Q86 V91 K160V74-D89 CarbonylContact C-O 3.56Å; V74-D89 WeakPolarHBondContact CA-O 3.46Å; V75-D89 HydrophobicContact CB-CB 4.31Å; V75-D89 HydrophobicContact CG2-CB 3.91Å; V75-D89 PolarHBondContact N-O 3.06Å; F85-D89 WeakPolarHBondContact CA-OD2 3.39Å; Q86-D89 PolarHBondContact N-OD2 2.76Å; Q86-D89 WeakPolarHBondContact O-CB 3.26Å; Q86-D89 VanDerWaalsContact O-CG 3.32Å; Q86-D89 PolarHBondContact O-N 3.14Å; Q86-D89 VanDerWaalsContact O-N 3.16Å; D89-V91 HydrophobicContact CB-CG1 4.31Å; D89-K160 WeakPolarHBondContact OD1-CE 3.36Å; D89-K160 IonicContact OD1-NZ 2.77Å; D89-K160 PolarHBondContact OD1-NZ 3.02Å; D89-K160 WeakPolarHBondContact OD2-CE 3.29Å; D89-K160 IonicContact OD2-NZ 3.44Å; D89-K160 PolarHBondContact OD2-NZ 2.68Å
90T98.6Very high97Very high15 Ų1536.2 Ų36.29%0.09221%0.213CC..EExtended strand (participates in β ladder)trans-81.6127.7173.2-51.40000110.4G88 I161 P163 L167G88-T90 PolarHBondContact O-N 3.2Å; T90-I161 HydrophobicContact CG2-CD1 3.89Å; T90-I161 HydrophobicContact CG2-CG1 3.75Å; T90-I161 WeakPolarHBondContact O-CG1 3.27Å; T90-I161 PolarHBondContact O-N 3.37Å; T90-P163 WeakPolarHBondContact OG1-CA 3.31Å; T90-L167 HydrophobicContact CG2-CD1 4.32Å; T90-L167 HydrophobicContact CG2-CD2 3.28Å; T90-L167 HydrophobicContact CG2-CG 4.33Å
91V98.8Very high96.9Very high0 Ų039.2 Ų39.20%022%0.219CC..EExtended strand (participates in β ladder)trans-143.3156.7-167.2-670000113.9I39 A72 G73 V75 F85 D89 V158 A159I39-V91 HydrophobicContact CD1-CG2 3.86Å; I39-V91 HydrophobicContact CG1-CG2 4.06Å; I39-V91 HydrophobicContact CG2-CG2 3.85Å; A72-V91 WeakPolarHBondContact CA-O 3.42Å; G73-V91 PolarHBondContact N-O 3.34Å; G73-V91 PolarHBondContact O-N 2.69Å; V75-V91 HydrophobicContact CG2-CB 4.4Å; V75-V91 HydrophobicContact CG2-CG1 3.61Å; V75-V91 HydrophobicContact CG2-CG2 3.85Å; F85-V91 HydrophobicContact CD1-CG1 4.01Å; F85-V91 HydrophobicContact CE1-CG1 4.01Å; D89-V91 HydrophobicContact CB-CG1 4.31Å; V91-V158 HydrophobicContact CB-CG1 3.58Å; V91-V158 HydrophobicContact CG1-CG1 3.67Å; V91-V158 HydrophobicContact CG2-CG1 4.23Å; V91-A159 CarbonylContact C-O 3.57Å; V91-A159 VanDerWaalsContact CA-O 3.24Å; V91-A159 WeakPolarHBondContact CA-O 3.44Å
92I98.8Very high96.8Very high0 Ų037.9 Ų37.90%020%0.203CC..EExtended strand (participates in β ladder)trans-118.2117.1167.8-67.5175.8000107.9A71 A72 L94 A159 I161 V170 V328 V332A71-I92 WeakPolarHBondContact O-CG2 3.28Å; A72-I92 HydrophobicContact CB-CG1 4.11Å; I92-L94 HydrophobicContact CG2-CD2 3.62Å; I92-A159 PolarHBondContact N-O 3.01Å; I92-A159 PolarHBondContact O-N 3.29Å; I92-I161 HydrophobicContact CD1-CD1 4.03Å; I92-I161 HydrophobicContact CD1-CG2 4.13Å; I92-I161 HydrophobicContact CG1-CD1 3.94Å; I92-I161 HydrophobicContact CG1-CG2 4.28Å; I92-V170 HydrophobicContact CD1-CB 4.24Å; I92-V170 HydrophobicContact CD1-CG2 4.17Å; I92-V170 WeakPolarHBondContact CD1-O 3.37Å; I92-V328 HydrophobicContact CB-CG1 4.17Å; I92-V328 HydrophobicContact CD1-CG1 3.74Å; I92-V328 HydrophobicContact CG2-CG1 4.17Å; I92-V332 HydrophobicContact CD1-CG2 3.87Å
93P98.3Very high96.8Very high0 Ų046.8 Ų46.80%024%0.235CC..EExtended strand (participates in β ladder)trans-71.1143.4168.431-34.9000110.7I39 I41 A71 T144 V153 S157I39-P93 HydrophobicContact CD1-CB 4.04Å; I39-P93 HydrophobicContact CD1-CG 4.44Å; I41-P93 HydrophobicContact CD1-CG 4.34Å; A71-P93 HydrophobicContact CB-CG 3.9Å; A71-P93 WeakPolarHBondContact O-CD 3.5Å; P93-T144 HydrophobicContact CB-CG2 4.1Å; P93-V153 HydrophobicContact CB-CG1 4.27Å; P93-S157 CarbonylContact C-O 3.52Å
94L96.4Very high96.8Very high0 Ų043.1 Ų43.10%021%0.211CC..  trans-128.7132.3-169.8-57.5177.3000111.6I92 M96 S157 A159 F319 G324 V328I92-L94 HydrophobicContact CG2-CD2 3.62Å; L94-M96 PolarHBondContact O-N 2.67Å; L94-S157 PolarHBondContact N-O 2.92Å; L94-S157 WeakPolarHBondContact O-CB 3.36Å; L94-A159 HydrophobicContact CD1-CB 4Å; L94-F319 HydrophobicContact CD2-CZ 4.37Å; L94-G324 WeakPolarHBondContact CD1-O 3.41Å; L94-V328 HydrophobicContact CD1-CG2 4.19Å; L94-V328 HydrophobicContact CD2-CB 4.44Å; L94-V328 HydrophobicContact CD2-CG1 4.39Å; L94-V328 HydrophobicContact CD2-CG2 3.73Å
95F93.1Very high96.8Very high18 Ų1839.6 Ų39.68%0.07920%0.195CC..SBendtrans-69.2-18.7167.676.7-85.7000112.6P97 L142 C175 L318 F319F95-P97 WeakPolarHBondContact O-CD 3.3Å; F95-L142 HydrophobicContact CB-CB 3.84Å; F95-L142 HydrophobicContact CB-CD1 4.06Å; F95-L142 HydrophobicContact CB-CG 4.46Å; F95-L142 HydrophobicContact CG-CD1 4.5Å; F95-C175 HydrophobicContact CE1-CB 4.15Å; F95-L318 HydrophobicContact CE2-CD1 4.48Å; F95-F319 AromaticContact CE1-CD2 3.5Å; F95-F319 HydrophobicContact CE1-CD2 3.5Å; F95-F319 AromaticContact CE1-CE2 3.99Å; F95-F319 HydrophobicContact CE1-CE2 3.99Å; F95-F319 HydrophobicContact CE1-CG 4.23Å; F95-F319 HydrophobicContact CE2-CB 4.44Å; F95-F319 HydrophobicContact CZ-CB 3.84Å; F95-F319 AromaticContact CZ-CD2 3.62Å; F95-F319 HydrophobicContact CZ-CD2 3.62Å; F95-F319 HydrophobicContact CZ-CG 4.01Å
96M93.6Very high96.8Very high2 Ų246.4 Ų46.41%0.0123%0.225CC..SBendtrans-103.595.1177.3-166.355.354.500111.2L94 L112 L318 F319L94-M96 PolarHBondContact O-N 2.67Å; M96-L112 HydrophobicContact CE-CD2 4.43Å; M96-L112 HydrophobicContact SD-CD2 4.27Å; M96-L318 HydrophobicContact CE-CB 4.5Å; M96-L318 HydrophobicContact CE-CD2 3.38Å; M96-L318 HydrophobicContact CE-CG 3.58Å; M96-F319 HydrophobicContact CB-CB 4.13Å; M96-F319 HydrophobicContact CB-CD1 3.84Å; M96-F319 HydrophobicContact CB-CG 4.02Å; M96-F319 HydrophobicContact CE-CB 4.35Å; M96-F319 HydrophobicContact CG-CB 4.17Å; M96-F319 HydrophobicContact CG-CD1 4.12Å; M96-F319 HydrophobicContact CG-CG 4.42Å
97P93.8Very high96.7Very high4 Ų442.1 Ų42.13%0.02621%0.208CC..  trans-71.8160179.624-29.2000112.8F95 C113 M156 S157F95-P97 WeakPolarHBondContact O-CD 3.3Å; P97-C113 HydrophobicContact CB-CB 4.48Å; P97-C113 HydrophobicContact CG-CB 4.12Å; P97-C113 WeakPolarHBondContact O-CB 3.31Å; P97-M156 CarbonylContact C-O 3.36Å; P97-M156 VanDerWaalsContact CA-O 3.28Å; P97-M156 WeakPolarHBondContact CA-O 3.07Å; P97-M156 HydrophobicContact CB-CB 4.43Å; P97-M156 HydrophobicContact CB-CE 4.12Å; P97-M156 HydrophobicContact CB-CG 3.87Å; P97-M156 HydrophobicContact CB-SD 4.11Å; P97-M156 HydrophobicContact CG-CE 4.4Å; P97-S157 WeakPolarHBondContact CB-OG 3.41Å
98Q96.3Very high96.5Very high9 Ų945.2 Ų45.24%0.04223%0.228CC..  trans-13996.8171.1-176.1-172.7-6.100109.8R100 M156 K323 K325 D326Q98-R100 VanDerWaalsContact C-N 3.31Å; Q98-R100 HydrophobicContact CG-CG 4.05Å; Q98-R100 PolarHBondContact O-N 3.46Å; Q98-M156 PolarHBondContact N-O 2.87Å; Q98-K323 HydrophobicContact CG-CB 4.41Å; Q98-K325 HydrophobicContact CB-CB 4.38Å; Q98-K325 HydrophobicContact CB-CD 4.28Å; Q98-K325 HydrophobicContact CB-CG 3.99Å; Q98-K325 WeakPolarHBondContact O-CD 3.3Å; Q98-D326 PolarHBondContact NE2-OD2 3.25Å
99C95.6Very high96.4Very high23 Ų2352.5 Ų52.516%0.15525%0.248CC..  trans-79.8-10.3178.973.50000114E101 C102 C113 M156C99-E101 PolarHBondContact O-N 3.24Å; C99-C102 PolarHBondContact SG-N 3.42Å; C99-C102 VanDerWaalsContact SG-N 3.44Å; C99-C102 VanDerWaalsContact SG-SG 3.62Å; C99-C113 PolarHBondContact SG-SG 2.85Å; C99-M156 HydrophobicContact CB-CB 4.33Å; C99-M156 HydrophobicContact CB-SD 4.08Å
100R95.8Very high96.3Very high105 Ų10553.6 Ų53.640%0.39626%0.255SS..SBendtrans61.8-11.3-177.8-60-177.7176.2143.8-3.8116.4E84 Q98 D326E84-R100 IonicContact OE1-NH1 3.16Å; E84-R100 IonicContact OE2-CZ 3.66Å; E84-R100 IonicContact OE2-NH1 2.9Å; E84-R100 PolarHBondContact OE2-NH1 2.81Å; Q98-R100 VanDerWaalsContact C-N 3.31Å; Q98-R100 HydrophobicContact CG-CG 4.05Å; Q98-R100 PolarHBondContact O-N 3.46Å; R100-D326 IonicContact CZ-OD1 3.99Å; R100-D326 IonicContact NE-OD1 3.12Å; R100-D326 IonicContact NH2-OD1 3.74Å; R100-D326 PolarHBondContact NH2-OD1 3.4Å
101E96.1Very high96.2Very high150 Ų15053.5 Ų53.570%0.70125%0.254SS*.SBendtrans-104.9-29.4-173.1-66.8178172.800114.5C99 K106C99-E101 PolarHBondContact O-N 3.24Å; E101-K106 WeakPolarHBondContact O-CD 3.35Å; E101-K106 WeakPolarHBondContact O-CE 3.35Å; E101-K106 PolarHBondContact O-NZ 3.5Å
102C96.6Very high96Very high15 Ų1556.3 Ų56.310%0.10127%0.269CS..SBendtrans-71.9159.7-176.977.70000112.3C99 L104 C105 K106 V114C99-C102 PolarHBondContact SG-N 3.42Å; C99-C102 VanDerWaalsContact SG-N 3.44Å; C99-C102 VanDerWaalsContact SG-SG 3.62Å; C102-L104 PolarHBondContact O-N 2.98Å; C102-L104 VanDerWaalsContact O-N 3.1Å; C102-C105 PolarHBondContact O-N 3.13Å; C102-C105 VanDerWaalsContact O-N 3.13Å; C102-C105 PolarHBondContact SG-N 3.1Å; C102-C105 VanDerWaalsContact SG-N 3.37Å; C102-C105 VanDerWaalsContact SG-SG 3.63Å; C102-K106 PolarHBondContact O-N 3.33Å; C102-V114 HydrophobicContact CB-CB 4.36Å; C102-V114 HydrophobicContact CB-CG1 4.25Å; C102-V114 HydrophobicContact CB-CG2 3.35Å
103R96.8Very high95.8Very high200 Ų20056.7 Ų56.776%0.75527%0.272SS*.Hα-helixtrans-52.4-36.9-178.172.2179.2-177.6130.1-0.4113.6S107 V114R103-S107 PolarHBondContact O-N 2.8Å; R103-V114 HydrophobicContact CG-CG1 4.44Å
104L96.8Very high95.6Very high44 Ų4460.1 Ų60.123%0.2329%0.292CS..Hα-helixtrans-78.3-42.5-178.3-60.4-174000111.3C102 K106 S107 T110 L112 V114C102-L104 PolarHBondContact O-N 2.98Å; C102-L104 VanDerWaalsContact O-N 3.1Å; L104-K106 VanDerWaalsContact C-N 3.28Å; L104-K106 PolarHBondContact O-N 2.91Å; L104-S107 WeakPolarHBondContact O-CB 3.4Å; L104-S107 PolarHBondContact O-N 3.38Å; L104-S107 VanDerWaalsContact O-N 3.07Å; L104-T110 HydrophobicContact CB-CG2 3.86Å; L104-T110 HydrophobicContact CD2-CG2 4.19Å; L104-T110 HydrophobicContact CG-CG2 4.49Å; L104-L112 WeakPolarHBondContact CB-O 3.48Å; L104-L112 HydrophobicContact CD1-CB 4.06Å; L104-V114 HydrophobicContact CB-CG1 4.27Å; L104-V114 HydrophobicContact CD1-CG1 3.69Å; L104-V114 HydrophobicContact CG-CG1 3.71Å
105C96.6Very high95.2Very high7 Ų764.4 Ų64.45%0.04732%0.315CS..Hα-helixtrans-62.1-33.9174.1-81.20000113.1C102 S107 K323C102-C105 PolarHBondContact O-N 3.13Å; C102-C105 VanDerWaalsContact O-N 3.13Å; C102-C105 PolarHBondContact SG-N 3.1Å; C102-C105 VanDerWaalsContact SG-N 3.37Å; C102-C105 VanDerWaalsContact SG-SG 3.63Å; C105-S107 VanDerWaalsContact C-N 3.3Å; C105-K323 PolarHBondContact O-NZ 3.26Å
106K97.2Very high94.8Very high152 Ų15264.7 Ų64.766%0.66132%0.323SS*.Hα-helixtrans-72.6-22.3175.1-73.8175.3170.71570113.2E101 C102 L104E101-K106 WeakPolarHBondContact O-CD 3.35Å; E101-K106 WeakPolarHBondContact O-CE 3.35Å; E101-K106 PolarHBondContact O-NZ 3.5Å; C102-K106 PolarHBondContact O-N 3.33Å; L104-K106 VanDerWaalsContact C-N 3.28Å; L104-K106 PolarHBondContact O-N 2.91Å
107S97.1Very high94Very high28 Ų2867.1 Ų67.120%0.19634%0.34CS..  trans-78.4141.8177.4-177.40000111.1R103 L104 C105 K109 K323R103-S107 PolarHBondContact O-N 2.8Å; L104-S107 WeakPolarHBondContact O-CB 3.4Å; L104-S107 PolarHBondContact O-N 3.38Å; L104-S107 VanDerWaalsContact O-N 3.07Å; C105-S107 VanDerWaalsContact C-N 3.3Å; S107-K109 VanDerWaalsContact C-N 3.25Å; S107-K109 WeakPolarHBondContact OG-CB 3.49Å; S107-K109 PolarHBondContact OG-N 2.9Å; S107-K109 VanDerWaalsContact OG-N 3.12Å; S107-K323 WeakPolarHBondContact O-CE 3.48Å; S107-K323 PolarHBondContact O-NZ 2.62Å
108P94.9Very high93.1Very high122 Ų12268.9 Ų68.979%0.79236%0.355SS*.SBendtrans-80.2-7.6168.133.2-35.1000112.6T110P108-T110 VanDerWaalsContact C-N 3.32Å; P108-T110 PolarHBondContact O-N 3.49Å
109K95.3Very high91.7Very high194 Ų19468.8 Ų68.884%0.84336%0.357SS*.SBendtrans-82.5-6.7-172.8-57.2-179.6179-178.60114S107S107-K109 VanDerWaalsContact C-N 3.25Å; S107-K109 WeakPolarHBondContact OG-CB 3.49Å; S107-K109 PolarHBondContact OG-N 2.9Å; S107-K109 VanDerWaalsContact OG-N 3.12Å
110T95.9Very high90.5Very high37 Ų3775.1 Ų75.123%0.22738%0.382CS..  trans-157.2157.1-175-172.30000111.1L104 P108 L112L104-T110 HydrophobicContact CB-CG2 3.86Å; L104-T110 HydrophobicContact CD2-CG2 4.19Å; L104-T110 HydrophobicContact CG-CG2 4.49Å; P108-T110 VanDerWaalsContact C-N 3.32Å; P108-T110 PolarHBondContact O-N 3.49Å; T110-L112 PolarHBondContact OG1-N 3.05Å; T110-L112 VanDerWaalsContact OG1-N 3.09Å
111N96.3Very high89.3Confident14 Ų1471.6 Ų71.68%0.07537%0.37CS..  trans-102.4-2.9167.264.9-29.6000113.7C113 L318 F322 K323N111-C113 PolarHBondContact O-N 2.94Å; N111-L318 PolarHBondContact ND2-O 2.8Å; N111-F322 WeakPolarHBondContact CB-O 3.39Å; N111-F322 PolarHBondContact ND2-O 2.79Å; N111-K323 HydrophobicContact CB-CG 4.28Å
112L95.8Very high87.9Confident58 Ų5868 Ų6830%0.30436%0.356SS..  trans-68130.3-178.6-63.5179.4000110.5M96 L104 T110 L318M96-L112 HydrophobicContact CE-CD2 4.43Å; M96-L112 HydrophobicContact SD-CD2 4.27Å; L104-L112 WeakPolarHBondContact CB-O 3.48Å; L104-L112 HydrophobicContact CD1-CB 4.06Å; T110-L112 PolarHBondContact OG1-N 3.05Å; T110-L112 VanDerWaalsContact OG1-N 3.09Å; L112-L318 HydrophobicContact CD2-CD2 3.78Å
113C95Very high86.2Confident9 Ų972.6 Ų72.66%0.06138%0.376CS..  trans-100.6132.4171.8-179.30000109.5P97 C99 N111 N115 G116P97-C113 HydrophobicContact CB-CB 4.48Å; P97-C113 HydrophobicContact CG-CB 4.12Å; P97-C113 WeakPolarHBondContact O-CB 3.31Å; C99-C113 PolarHBondContact SG-SG 2.85Å; N111-C113 PolarHBondContact O-N 2.94Å; C113-N115 PolarHBondContact O-N 2.94Å; C113-N115 PolarHBondContact SG-N 3.19Å; C113-G116 PolarHBondContact O-N 3.38Å
114V92.6Very high84.7Confident71 Ų7171.5 Ų71.543%0.4337%0.372SS..THydrogen-bonded Turntrans-64.6-20.9178.3-520000112.7C102 R103 L104 G116C102-V114 HydrophobicContact CB-CB 4.36Å; C102-V114 HydrophobicContact CB-CG1 4.25Å; C102-V114 HydrophobicContact CB-CG2 3.35Å; R103-V114 HydrophobicContact CG-CG1 4.44Å; L104-V114 HydrophobicContact CB-CG1 4.27Å; L104-V114 HydrophobicContact CD1-CG1 3.69Å; L104-V114 HydrophobicContact CG-CG1 3.71Å; V114-G116 VanDerWaalsContact C-N 3.32Å
115N89.3Confident83.7Confident90 Ų9071 Ų7148%0.48137%0.372SS..THydrogen-bonded Turntrans-88.8-0.9177.9-60.9-21.8000112.2C113 M156C113-N115 PolarHBondContact O-N 2.94Å; C113-N115 PolarHBondContact SG-N 3.19Å; N115-M156 HydrophobicContact CB-CE 3.74Å; N115-M156 HydrophobicContact CB-SD 3.66Å; N115-M156 WeakPolarHBondContact O-CE 3.26Å
116G83.6Confident83Confident24 Ų2472.9 Ų72.925%0.24738%0.379CS..SBendtrans-95.7162.9173.700000112.5C113 V114C113-G116 PolarHBondContact O-N 3.38Å; V114-G116 VanDerWaalsContact C-N 3.32Å
117S77Confident82.3Confident53 Ų5373.5 Ų73.537%0.37139%0.385SS..  trans-86.9-4.3178.966.30000114G119 K120S117-G119 PolarHBondContact O-N 3.27Å; S117-K120 WeakPolarHBondContact CB-O 3.34Å; S117-K120 VanDerWaalsContact O-CB 3.28Å; S117-K120 WeakPolarHBondContact O-CB 3.22Å; S117-K120 WeakPolarHBondContact O-CG 3.46Å; S117-K120 PolarHBondContact O-N 3.19Å; S117-K120 PolarHBondContact OG-O 3.16Å
118A74.8Confident81.7Confident42 Ų4279.1 Ų79.135%0.34740%0.402SS..THydrogen-bonded Turntrans5041.3-17400000113K120 L318A118-K120 VanDerWaalsContact C-N 3.32Å; A118-K120 PolarHBondContact O-N 3.45Å; A118-L318 HydrophobicContact CB-CD2 4.4Å
119G66.4Low81.7Confident7 Ų773.3 Ų73.37%0.07236%0.364CS..THydrogen-bonded Turntrans82.91-179.700000115S117S117-G119 PolarHBondContact O-N 3.27Å
120K71Confident81.7Confident156 Ų15665 Ų6568%0.67833%0.327SS*.  trans-83.8146.5177.5-59.7-176.8179.1-173.40111.8S117 A118S117-K120 WeakPolarHBondContact CB-O 3.34Å; S117-K120 VanDerWaalsContact O-CB 3.28Å; S117-K120 WeakPolarHBondContact O-CB 3.22Å; S117-K120 WeakPolarHBondContact O-CG 3.46Å; S117-K120 PolarHBondContact O-N 3.19Å; S117-K120 PolarHBondContact OG-O 3.16Å; A118-K120 VanDerWaalsContact C-N 3.32Å; A118-K120 PolarHBondContact O-N 3.45Å
121I70.1Confident81.8Confident31 Ų3163.3 Ų63.316%0.15932%0.316CS..  trans-101.1125.8170.6-57.2179.4000108.1F53 A62 L139 F141F53-I121 HydrophobicContact CD1-CD1 3.43Å; F53-I121 VanDerWaalsContact CD1-CD1 3.43Å; F53-I121 HydrophobicContact CD1-CG1 4.38Å; F53-I121 HydrophobicContact CE1-CD1 3.67Å; F53-I121 HydrophobicContact CE1-CG1 4.13Å; F53-I121 HydrophobicContact CG-CD1 4.07Å; F53-I121 HydrophobicContact CZ-CD1 4.47Å; A62-I121 HydrophobicContact CB-CG2 4.08Å; I121-L139 HydrophobicContact CG2-CD2 3.64Å; I121-F141 HydrophobicContact CD1-CD2 3.8Å; I121-F141 HydrophobicContact CD1-CE2 3.8Å; I121-F141 HydrophobicContact CG1-CD2 4.42Å; I121-F141 HydrophobicContact CG1-CE2 4.47Å
122D66.9Low81.9Confident73 Ų7363.7 Ų63.739%0.3932%0.321SS..  trans-108.5127.1177.6174.18.8000109.5R124 S125D122-R124 PolarHBondContact O-N 3.46Å; D122-R124 WeakPolarHBondContact OD1-CB 3.33Å; D122-R124 PolarHBondContact OD1-N 3.08Å; D122-S125 WeakPolarHBondContact O-CB 3.47Å; D122-S125 PolarHBondContact O-N 2.86Å; D122-S125 PolarHBondContact O-OG 3.48Å
123E61.2Low82Confident112 Ų11261.1 Ų61.152%0.52331%0.307SS..THydrogen-bonded Turntrans-60.6-27.6179.1-65.5-177164.400112.9T61 S125 F126T61-E123 PolarHBondContact OG1-OE1 2.67Å; E123-S125 PolarHBondContact O-N 2.93Å; E123-F126 WeakPolarHBondContact O-CD2 3.4Å; E123-F126 PolarHBondContact O-N 2.87Å
124R65.3Low82.1Confident177 Ų17769.2 Ų69.267%0.66834%0.336SS*.THydrogen-bonded Turntrans-63.4-8.8172.5-61.9-179.8179-173-0.3113D122 F126D122-R124 PolarHBondContact O-N 3.46Å; D122-R124 WeakPolarHBondContact OD1-CB 3.33Å; D122-R124 PolarHBondContact OD1-N 3.08Å; R124-F126 PolarHBondContact O-N 3.2Å
125S75.4Confident82.1Confident33 Ų3369.7 Ų69.723%0.23136%0.356CS..Hα-helixtrans-71.9-15.9177.9-51.90000113.1D122 E123 R128 S129D122-S125 WeakPolarHBondContact O-CB 3.47Å; D122-S125 PolarHBondContact O-N 2.86Å; D122-S125 PolarHBondContact O-OG 3.48Å; E123-S125 PolarHBondContact O-N 2.93Å; S125-R128 PolarHBondContact O-N 2.77Å; S125-S129 PolarHBondContact O-N 2.7Å
126F81.3Confident82.3Confident48 Ų4873.6 Ų73.621%0.21136%0.364CS..Hα-helixtrans-60.7-46.3173.5-84.1-75.7000112.2F63 P64 E123 R124 R128 S129 L139F63-F126 WeakPolarHBondContact O-CZ 3.45Å; P64-F126 WeakPolarHBondContact O-CE1 3.32Å; E123-F126 WeakPolarHBondContact O-CD2 3.4Å; E123-F126 PolarHBondContact O-N 2.87Å; R124-F126 PolarHBondContact O-N 3.2Å; F126-R128 PolarHBondContact O-N 2.72Å; F126-S129 WeakPolarHBondContact O-CB 3.43Å; F126-S129 PolarHBondContact O-N 3.33Å; F126-L139 HydrophobicContact CD1-CB 4.2Å; F126-L139 HydrophobicContact CD2-CD1 4.12Å; F126-L139 HydrophobicContact CE1-CB 3.71Å; F126-L139 HydrophobicContact CE2-CB 4.27Å; F126-L139 HydrophobicContact CE2-CD1 4.19Å; F126-L139 HydrophobicContact CE2-CD2 4.45Å; F126-L139 HydrophobicContact CG-CD1 4.36Å; F126-L139 HydrophobicContact CZ-CB 3.74Å; F126-L139 HydrophobicContact CZ-CD1 4.49Å; F126-L139 HydrophobicContact CZ-CD2 4.46Å; F126-L139 HydrophobicContact CZ-CG 4.48Å
127E82.4Confident82.9Confident165 Ų16576.5 Ų76.577%0.77137%0.37SS*.Hα-helixtrans-63.8-33.3179.2-64.3178.3178.400112S129E127-S129 VanDerWaalsContact C-N 3.35Å
128R86Confident83.8Confident146 Ų14674 Ų7455%0.55135%0.352SS*.Hα-helixtrans-84.2-11.4-179.4-61.5178.5-175.3165.40.8113.1S125 F126 R130S125-R128 PolarHBondContact O-N 2.77Å; F126-R128 PolarHBondContact O-N 2.72Å; R128-R130 PolarHBondContact O-NH1 3.03Å
129S93.4Very high84.7Confident0 Ų072 Ų720%034%0.336CS..  trans-62.9143.1-177177.80000112.2S125 F126 E127 I131 K137 L138S125-S129 PolarHBondContact O-N 2.7Å; F126-S129 WeakPolarHBondContact O-CB 3.43Å; F126-S129 PolarHBondContact O-N 3.33Å; E127-S129 VanDerWaalsContact C-N 3.35Å; S129-I131 PolarHBondContact OG-N 3.31Å; S129-I131 PolarHBondContact OG-O 2.88Å; S129-K137 PolarHBondContact O-NZ 2.9Å; S129-L138 WeakPolarHBondContact CB-O 3.3Å; S129-L138 PolarHBondContact OG-O 2.9Å
130R96.8Very high86Confident20 Ų2073 Ų738%0.07534%0.339CS..  trans-97.6-2.8173.8-58.6-67.7176.6-105.2-6.2112.9V29 A30 E36 R128 V152V29-R130 WeakPolarHBondContact CA-O 3.36Å; A30-R130 HydrophobicContact CB-CB 4.29Å; A30-R130 PolarHBondContact N-O 2.72Å; E36-R130 VanDerWaalsContact CD-NH2 3.32Å; E36-R130 IonicContact OE1-CZ 2.74Å; E36-R130 IonicContact OE1-NE 2.74Å; E36-R130 PolarHBondContact OE1-NE 2.89Å; E36-R130 IonicContact OE1-NH2 2.72Å; E36-R130 PolarHBondContact OE1-NH2 3.48Å; E36-R130 IonicContact OE2-CZ 3.18Å; E36-R130 IonicContact OE2-NE 2.74Å; E36-R130 PolarHBondContact OE2-NE 3.16Å; E36-R130 IonicContact OE2-NH2 3.28Å; E36-R130 PolarHBondContact OE2-NH2 3.04Å; R128-R130 PolarHBondContact O-NH1 3.03Å; R130-V152 HydrophobicContact CB-CB 3.72Å; R130-V152 HydrophobicContact CB-CG1 4.35Å; R130-V152 HydrophobicContact CB-CG2 3.82Å; R130-V152 HydrophobicContact CG-CB 3.67Å; R130-V152 HydrophobicContact CG-CG1 3.75Å; R130-V152 HydrophobicContact CG-CG2 4.12Å
131I97.9Very high87Confident0 Ų065.6 Ų65.60%031%0.306CS..EExtended strand (participates in β ladder)trans-109.1130.4-177.8-48.6-179000109.4V27 E28 V66 S129 L138 Q140V27-I131 HydrophobicContact CB-CG2 3.93Å; V27-I131 HydrophobicContact CG1-CG2 4.41Å; V27-I131 HydrophobicContact CG2-CG2 3.94Å; E28-I131 WeakPolarHBondContact O-CA 3.18Å; V66-I131 HydrophobicContact CB-CD1 4.31Å; V66-I131 HydrophobicContact CG2-CD1 4.31Å; V66-I131 HydrophobicContact CG2-CG2 4.26Å; S129-I131 PolarHBondContact OG-N 3.31Å; S129-I131 PolarHBondContact OG-O 2.88Å; I131-L138 HydrophobicContact CB-CB 4.44Å; I131-L138 HydrophobicContact CG2-CB 4.34Å; I131-L138 HydrophobicContact CG2-CD1 3.98Å; I131-L138 HydrophobicContact CG2-CG 4.42Å; I131-L138 PolarHBondContact O-N 3.22Å; I131-Q140 HydrophobicContact CD1-CG 3.99Å; I131-Q140 HydrophobicContact CG1-CG 4.14Å
132S98Very high88Confident23 Ų2365 Ų6516%0.16130%0.304CS..EExtended strand (participates in β ladder)trans-132.1152.3171.8430000112V27 E28 R136V27-S132 WeakPolarHBondContact CA-O 3.19Å; E28-S132 PolarHBondContact N-O 2.83Å; E28-S132 PolarHBondContact O-N 3.27Å; S132-R136 CarbonylContact C-O 3.57Å; S132-R136 WeakPolarHBondContact CA-O 3.33Å; S132-R136 WeakPolarHBondContact CB-O 3.17Å
133C98.3Very high89.1Confident4 Ų463.3 Ų63.33%0.02730%0.303CS..EExtended strand (participates in β ladder)trans-146.1138.5173.5-172.10000108.9W16 E26 V27 G135 R136 L138W16-C133 HydrophobicContact CH2-CB 4.21Å; W16-C133 HydrophobicContact CZ2-CB 4.42Å; E26-C133 PolarHBondContact O-SG 3.44Å; V27-C133 HydrophobicContact CG1-CB 3.99Å; C133-G135 PolarHBondContact O-N 3.13Å; C133-R136 PolarHBondContact N-O 3.2Å; C133-R136 PolarHBondContact O-N 2.93Å; C133-L138 HydrophobicContact CB-CD1 3.76Å; C133-L138 HydrophobicContact CB-CD2 4.1Å; C133-L138 HydrophobicContact CB-CG 4.09Å
134R95.8Very high90.8Very high178 Ų17858 Ų5867%0.67228%0.278SS*.THydrogen-bonded Turntrans52.139.6179.4-56.8172-174.3-168.3-2.7113.2E25 R136E25-R134 IonicContact OE1-CZ 2.85Å; E25-R134 VanDerWaalsContact OE1-CZ 3.28Å; E25-R134 IonicContact OE1-NE 3.35Å; E25-R134 IonicContact OE1-NH1 3.13Å; E25-R134 IonicContact OE1-NH2 3.7Å; E25-R134 PolarHBondContact OE1-NH2 2.79Å; E25-R134 IonicContact OE2-CZ 2.72Å; E25-R134 IonicContact OE2-NE 2.83Å; E25-R134 PolarHBondContact OE2-NE 2.73Å; E25-R134 IonicContact OE2-NH2 3.62Å; E25-R134 PolarHBondContact OE2-NH2 3.41Å; R134-R136 PolarHBondContact O-N 3.16Å
135G93.3Very high92.3Very high82 Ų8249.5 Ų49.585%0.84525%0.246SC*.THydrogen-bonded Turntrans72.16.9-179.100000115.4C133C133-G135 PolarHBondContact O-N 3.13Å
136R94.2Very high93.4Very high171 Ų17148 Ų4865%0.64524%0.235SC*.EExtended strand (participates in β ladder)trans-112.8145.3178-59.3-177.5-175.8-175.51.1110.7S132 C133 R134S132-R136 CarbonylContact C-O 3.57Å; S132-R136 WeakPolarHBondContact CA-O 3.33Å; S132-R136 WeakPolarHBondContact CB-O 3.17Å; C133-R136 PolarHBondContact N-O 3.2Å; C133-R136 PolarHBondContact O-N 2.93Å; R134-R136 PolarHBondContact O-N 3.16Å
137K94.9Very high94.2Very high86 Ų8645.9 Ų45.937%0.37423%0.226SC..EExtended strand (participates in β ladder)trans-72.3136.5170-73.5-72.5-176.1176.80109.8S129S129-K137 PolarHBondContact O-NZ 2.9Å
138L95.7Very high95Very high0 Ų038 Ų380%019%0.19CC..PPolyproline II helixtrans-100.2135.8172.4-53.9-173000108.5V14 W16 V27 P64 V66 S129 I131 C133V14-L138 HydrophobicContact CB-CD1 4.41Å; V14-L138 HydrophobicContact CG1-CD1 3.86Å; V14-L138 HydrophobicContact CG1-CD2 4.13Å; V14-L138 HydrophobicContact CG2-CD1 3.61Å; W16-L138 HydrophobicContact CH2-CD2 4.26Å; W16-L138 HydrophobicContact CZ3-CD2 4.27Å; V27-L138 HydrophobicContact CG1-CD1 4.01Å; P64-L138 HydrophobicContact CB-CD2 3.84Å; P64-L138 HydrophobicContact CG-CD2 3.6Å; V66-L138 HydrophobicContact CG2-CB 4.31Å; V66-L138 HydrophobicContact CG2-CD1 3.77Å; S129-L138 WeakPolarHBondContact CB-O 3.3Å; S129-L138 PolarHBondContact OG-O 2.9Å; I131-L138 HydrophobicContact CB-CB 4.44Å; I131-L138 HydrophobicContact CG2-CB 4.34Å; I131-L138 HydrophobicContact CG2-CD1 3.98Å; I131-L138 HydrophobicContact CG2-CG 4.42Å; I131-L138 PolarHBondContact O-N 3.22Å; C133-L138 HydrophobicContact CB-CD1 3.76Å; C133-L138 HydrophobicContact CB-CD2 4.1Å; C133-L138 HydrophobicContact CB-CG 4.09Å
139L94.3Very high95.6Very high1 Ų133.4 Ų33.41%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-61.9141.2175.7-173.766.6000110.6A62 P64 V65 V66 I121 F126A62-L139 HydrophobicContact CB-CD2 3.8Å; A62-L139 WeakPolarHBondContact O-CD2 3.31Å; P64-L139 WeakPolarHBondContact O-CB 3.29Å; P64-L139 PolarHBondContact O-N 3.24Å; V65-L139 WeakPolarHBondContact CA-O 3.24Å; V65-L139 HydrophobicContact CB-CB 3.88Å; V65-L139 HydrophobicContact CB-CD2 4.34Å; V65-L139 HydrophobicContact CG2-CB 3.91Å; V65-L139 HydrophobicContact CG2-CD2 4.13Å; V65-L139 HydrophobicContact CG2-CG 4.16Å; V65-L139 WeakPolarHBondContact CG2-O 3.35Å; V66-L139 PolarHBondContact N-O 2.84Å; I121-L139 HydrophobicContact CG2-CD2 3.64Å; F126-L139 HydrophobicContact CD1-CB 4.2Å; F126-L139 HydrophobicContact CD2-CD1 4.12Å; F126-L139 HydrophobicContact CE1-CB 3.71Å; F126-L139 HydrophobicContact CE2-CB 4.27Å; F126-L139 HydrophobicContact CE2-CD1 4.19Å; F126-L139 HydrophobicContact CE2-CD2 4.45Å; F126-L139 HydrophobicContact CG-CD1 4.36Å; F126-L139 HydrophobicContact CZ-CB 3.74Å; F126-L139 HydrophobicContact CZ-CD1 4.49Å; F126-L139 HydrophobicContact CZ-CD2 4.46Å; F126-L139 HydrophobicContact CZ-CG 4.48Å
140Q93.4Very high95.9Very high27 Ų2734.9 Ų34.913%0.12618%0.181CC..EExtended strand (participates in β ladder)trans-94.8117.7170.1-74.8-175.9-103.100111.2I131 S145 V152I131-Q140 HydrophobicContact CD1-CG 3.99Å; I131-Q140 HydrophobicContact CG1-CG 4.14Å; Q140-S145 WeakPolarHBondContact CA-OG 3.37Å; Q140-S145 WeakPolarHBondContact CB-OG 3.42Å; Q140-V152 PolarHBondContact NE2-O 3.44Å
141F93.3Very high95.9Very high0 Ų034 Ų340%018%0.177CC..G310 helixtrans-74.5126.6-179.2-177.5-114.3000111.7D50 F53 V65 V66 F67 H69 I121 G143 T144 S145D50-F141 VanDerWaalsContact OD1-CE1 3.22Å; D50-F141 WeakPolarHBondContact OD1-CE1 3.5Å; F53-F141 HydrophobicContact CB-CE2 3.82Å; F53-F141 HydrophobicContact CB-CZ 4.29Å; F53-F141 HydrophobicContact CD1-CE2 4.34Å; F53-F141 AromaticContact CD2-CE2 3.54Å; F53-F141 HydrophobicContact CD2-CE2 3.54Å; F53-F141 AromaticContact CD2-CZ 3.6Å; F53-F141 HydrophobicContact CD2-CZ 3.6Å; F53-F141 HydrophobicContact CE2-CE2 4.17Å; F53-F141 HydrophobicContact CE2-CZ 4.21Å; F53-F141 AromaticContact CG-CE2 3.64Å; F53-F141 HydrophobicContact CG-CE2 3.64Å; F53-F141 HydrophobicContact CG-CZ 4.12Å; V65-F141 HydrophobicContact CG2-CB 3.98Å; V66-F141 VanDerWaalsContact O-CB 3.25Å; V66-F141 WeakPolarHBondContact O-CB 3.34Å; V66-F141 PolarHBondContact O-N 3.41Å; F67-F141 HydrophobicContact CB-CD1 4.48Å; F67-F141 HydrophobicContact CD1-CB 4Å; F67-F141 AromaticContact CD1-CD1 3.84Å; F67-F141 HydrophobicContact CD1-CD1 3.84Å; F67-F141 AromaticContact CD1-CD2 3.58Å; F67-F141 HydrophobicContact CD1-CD2 3.58Å; F67-F141 HydrophobicContact CD1-CE1 4.14Å; F67-F141 AromaticContact CD1-CE2 3.92Å; F67-F141 HydrophobicContact CD1-CE2 3.92Å; F67-F141 AromaticContact CD1-CG 3.54Å; F67-F141 HydrophobicContact CD1-CG 3.54Å; F67-F141 HydrophobicContact CD1-CZ 4.18Å; F67-F141 AromaticContact CE1-CD2 3.72Å; F67-F141 HydrophobicContact CE1-CD2 3.72Å; F67-F141 AromaticContact CE1-CE2 3.92Å; F67-F141 HydrophobicContact CE1-CE2 3.92Å; F67-F141 HydrophobicContact CE1-CG 4.16Å; F67-F141 HydrophobicContact CE1-CZ 4.5Å; H69-F141 HydrophobicContact CB-CD1 4.46Å; H69-F141 HydrophobicContact CB-CE1 4.37Å; H69-F141 AromaticContact ND1-CE1 3.67Å; I121-F141 HydrophobicContact CD1-CD2 3.8Å; I121-F141 HydrophobicContact CD1-CE2 3.8Å; I121-F141 HydrophobicContact CG1-CD2 4.42Å; I121-F141 HydrophobicContact CG1-CE2 4.47Å; F141-G143 PolarHBondContact O-N 3.43Å; F141-T144 PolarHBondContact O-N 3.41Å; F141-T144 PolarHBondContact O-OG1 3.09Å; F141-T144 VanDerWaalsContact O-OG1 3.05Å; F141-S145 PolarHBondContact N-OG 2.84Å; F141-S145 PolarHBondContact O-N 3.31Å
142L91Very high96Very high19 Ų1934.1 Ų34.110%0.09918%0.178CC..G310 helixtrans50.223.6177.3-63.1-176.9000115H69 F95 T144H69-L142 HydrophobicContact CB-CB 4.42Å; H69-L142 HydrophobicContact CB-CD1 4.08Å; F95-L142 HydrophobicContact CB-CB 3.84Å; F95-L142 HydrophobicContact CB-CD1 4.06Å; F95-L142 HydrophobicContact CB-CG 4.46Å; F95-L142 HydrophobicContact CG-CD1 4.5Å; L142-T144 PolarHBondContact O-N 2.95Å
143G90.4Very high95.9Very high37 Ų3733.3 Ų33.338%0.38117%0.172SC..G310 helixtrans63.925.1-175.600000114.2F141 V153F141-G143 PolarHBondContact O-N 3.43Å; G143-V153 WeakPolarHBondContact O-CG1 3.37Å
144T95.4Very high95.8Very high0 Ų037.9 Ų37.90%019%0.192CC..THydrogen-bonded Turntrans-128.1-57.6-176.950.10000112.1G68 H69 P93 F141 L142 S146 T151G68-T144 PolarHBondContact O-OG1 2.96Å; H69-T144 VanDerWaalsContact CA-OG1 3.27Å; H69-T144 WeakPolarHBondContact CA-OG1 3.45Å; H69-T144 VanDerWaalsContact CB-OG1 3.29Å; H69-T144 WeakPolarHBondContact CB-OG1 3.42Å; P93-T144 HydrophobicContact CB-CG2 4.1Å; F141-T144 PolarHBondContact O-N 3.41Å; F141-T144 PolarHBondContact O-OG1 3.09Å; F141-T144 VanDerWaalsContact O-OG1 3.05Å; L142-T144 PolarHBondContact O-N 2.95Å; T144-S146 PolarHBondContact O-N 3.15Å; T144-T151 WeakPolarHBondContact O-CB 3.31Å; T144-T151 VanDerWaalsContact O-CG2 3.31Å; T144-T151 WeakPolarHBondContact O-CG2 3.35Å; T144-T151 PolarHBondContact O-OG1 3.18Å
145S97.4Very high95.9Very high0 Ų030.4 Ų30.40%016%0.164CC..  trans48.753.8177.8-72.20000114.6V66 F67 G68 Q140 F141 F147V66-S145 WeakPolarHBondContact O-CB 3.25Å; V66-S145 PolarHBondContact O-OG 3.15Å; F67-S145 CarbonylContact O-C 3.54Å; F67-S145 VanDerWaalsContact O-C 3.31Å; F67-S145 WeakPolarHBondContact O-CA 3.41Å; G68-S145 WeakPolarHBondContact O-CA 3.47Å; G68-S145 PolarHBondContact O-N 2.79Å; Q140-S145 WeakPolarHBondContact CA-OG 3.37Å; Q140-S145 WeakPolarHBondContact CB-OG 3.42Å; F141-S145 PolarHBondContact N-OG 2.84Å; F141-S145 PolarHBondContact O-N 3.31Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 3.32Å
146S98.4Very high96Very high0 Ų027.8 Ų27.80%013%0.13CC..  trans-82.3-2.2-172.762.30000115.6T44 F67 G68 H69 T144 S148T44-S146 WeakPolarHBondContact OG1-CB 3.36Å; T44-S146 PolarHBondContact OG1-OG 3.16Å; F67-S146 PolarHBondContact O-N 2.83Å; G68-S146 VanDerWaalsContact CA-OG 3.31Å; G68-S146 WeakPolarHBondContact CA-OG 3.46Å; G68-S146 PolarHBondContact O-N 2.94Å; G68-S146 PolarHBondContact O-OG 3.33Å; H69-S146 PolarHBondContact N-OG 2.74Å; T144-S146 PolarHBondContact O-N 3.15Å; S146-S148 PolarHBondContact O-N 2.87Å
147F98.7Very high96.1Very high4 Ų420.1 Ų20.12%0.01810%0.103CC..SBendtrans-7845.7168.5-58.8-17.6000111.7A12 A13 L22 T44 V46 D50 V66 F67 G68 S145 L352 I355A12-F147 CarbonylContact C-O 3.54Å; A12-F147 VanDerWaalsContact CA-O 3.31Å; A12-F147 WeakPolarHBondContact CA-O 3.42Å; A12-F147 WeakPolarHBondContact CB-O 3.32Å; A13-F147 HydrophobicContact CB-CB 4.16Å; A13-F147 PolarHBondContact N-O 3.2Å; L22-F147 HydrophobicContact CD2-CD2 4.26Å; T44-F147 HydrophobicContact CG2-CD1 3.7Å; T44-F147 HydrophobicContact CG2-CE1 4.07Å; V46-F147 HydrophobicContact CB-CZ 4.45Å; V46-F147 HydrophobicContact CG1-CZ 4.38Å; V46-F147 HydrophobicContact CG2-CE1 4.18Å; V46-F147 HydrophobicContact CG2-CZ 4.06Å; D50-F147 HydrophobicContact CB-CE2 4.13Å; D50-F147 HydrophobicContact CB-CZ 4.2Å; V66-F147 HydrophobicContact CG1-CB 4.36Å; F67-F147 VanDerWaalsContact C-CD2 3.41Å; F67-F147 HydrophobicContact CB-CD2 3.5Å; F67-F147 VanDerWaalsContact CB-CD2 3.5Å; F67-F147 HydrophobicContact CB-CE2 3.58Å; F67-F147 WeakPolarHBondContact O-CB 3.34Å; F67-F147 WeakPolarHBondContact O-CG 3.5Å; F67-F147 PolarHBondContact O-N 2.95Å; G68-F147 VanDerWaalsContact CA-CE1 3.45Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 3.32Å; F147-L352 HydrophobicContact CB-CD1 4.33Å; F147-I355 HydrophobicContact CB-CD1 4.05Å; F147-I355 HydrophobicContact CD1-CD1 4.04Å; F147-I355 HydrophobicContact CD2-CD1 3.31Å; F147-I355 HydrophobicContact CE1-CD1 4.32Å; F147-I355 HydrophobicContact CE2-CD1 3.65Å; F147-I355 HydrophobicContact CG-CD1 3.55Å; F147-I355 HydrophobicContact CZ-CD1 4.15Å
148S98.7Very high96.3Very high0 Ų016 Ų160%09%0.086CC..BIsolated β-bridgetrans-152.2142.8-177.81790000108.9K11 I41 S146 F150K11-S148 WeakPolarHBondContact O-CA 2.97Å; I41-S148 WeakPolarHBondContact CB-O 3.31Å; I41-S148 WeakPolarHBondContact CG1-O 3.34Å; S146-S148 PolarHBondContact O-N 2.87Å; S148-F150 WeakPolarHBondContact CB-O 3.21Å; S148-F150 PolarHBondContact O-N 2.81Å; S148-F150 PolarHBondContact OG-N 2.93Å; S148-F150 PolarHBondContact OG-O 2.72Å
149E98.8Very high96.4Very high50 Ų5016.1 Ų16.123%0.2349%0.086CC..SBendtrans-60.4-31.2175.6-68.2-180118.900112.4C10 K11 K40 I41 V374C10-E149 HydrophobicContact CB-CB 3.89Å; C10-E149 WeakPolarHBondContact CB-OE2 3.41Å; K11-E149 HydrophobicContact CB-CG 4.3Å; K11-E149 PolarHBondContact N-OE2 3.01Å; K11-E149 PolarHBondContact O-N 3.22Å; K40-E149 CarbonylContact C-O 3.56Å; K40-E149 WeakPolarHBondContact CA-O 3.47Å; I41-E149 PolarHBondContact N-O 3.12Å; E149-V374 HydrophobicContact CB-CG1 4.28Å; E149-V374 HydrophobicContact CG-CG1 3.91Å
150F98.8Very high96.6Very high31 Ų3120.6 Ų20.614%0.13611%0.106CC..EExtended strand (participates in β ladder)trans-130.4142.8172.9-69.3-94.5000111.4I8 C10 V29 R38 I39 K40 E76 S148I8-F150 HydrophobicContact CD1-CD1 3.85Å; I8-F150 HydrophobicContact CD1-CE1 3.83Å; I8-F150 HydrophobicContact CD1-CE2 4.49Å; I8-F150 HydrophobicContact CD1-CG 4.2Å; I8-F150 HydrophobicContact CD1-CZ 4.16Å; I8-F150 HydrophobicContact CG2-CD2 3.74Å; I8-F150 HydrophobicContact CG2-CE2 3.99Å; I8-F150 HydrophobicContact CG2-CG 4.18Å; C10-F150 HydrophobicContact CB-CD2 3.87Å; V29-F150 HydrophobicContact CB-CB 4.38Å; V29-F150 HydrophobicContact CG1-CB 4.27Å; V29-F150 HydrophobicContact CG2-CB 4.18Å; R38-F150 HydrophobicContact CG-CD1 4.35Å; I39-F150 WeakPolarHBondContact O-CA 3.36Å; K40-F150 HydrophobicContact CB-CD1 4.04Å; K40-F150 HydrophobicContact CB-CE1 3.55Å; K40-F150 HydrophobicContact CB-CZ 4.02Å; K40-F150 HydrophobicContact CD-CZ 4.19Å; K40-F150 HydrophobicContact CG-CE1 3.86Å; K40-F150 HydrophobicContact CG-CE2 4.37Å; K40-F150 HydrophobicContact CG-CZ 3.78Å; E76-F150 HydrophobicContact CB-CD1 4.44Å; E76-F150 HydrophobicContact CB-CE1 4.01Å; E76-F150 HydrophobicContact CG-CE1 3.92Å; S148-F150 WeakPolarHBondContact CB-O 3.21Å; S148-F150 PolarHBondContact O-N 2.81Å; S148-F150 PolarHBondContact OG-N 2.93Å; S148-F150 PolarHBondContact OG-O 2.72Å
151T98.6Very high96.9Very high0 Ų019.9 Ų19.90%010%0.103CC..EExtended strand (participates in β ladder)trans-140.2157.5171.6-171.40000110.6R38 I39 I41 T144 V153R38-T151 CarbonylContact C-O 3.46Å; R38-T151 WeakPolarHBondContact CA-O 3.23Å; I39-T151 HydrophobicContact CB-CG2 4.37Å; I39-T151 PolarHBondContact N-O 3.25Å; I39-T151 PolarHBondContact O-N 3.29Å; I41-T151 HydrophobicContact CD1-CG2 3.79Å; I41-T151 HydrophobicContact CG1-CG2 3.99Å; T144-T151 WeakPolarHBondContact O-CB 3.31Å; T144-T151 VanDerWaalsContact O-CG2 3.31Å; T144-T151 WeakPolarHBondContact O-CG2 3.35Å; T144-T151 PolarHBondContact O-OG1 3.18Å; T151-V153 HydrophobicContact CG2-CG1 4.11Å
152V98.5Very high97.1Very high4 Ų423.7 Ų23.72%0.02412%0.123CC..EExtended strand (participates in β ladder)trans-117129.1174.7-179.70000109V29 A30 P32 E36 I37 R38 R130 Q140V29-V152 HydrophobicContact CG1-CG2 3.85Å; A30-V152 WeakPolarHBondContact O-CG2 3.41Å; P32-V152 HydrophobicContact CB-CG1 4.07Å; E36-V152 HydrophobicContact CB-CG1 3.78Å; E36-V152 HydrophobicContact CG-CG1 4.31Å; I37-V152 WeakPolarHBondContact O-CA 3.43Å; R38-V152 HydrophobicContact CB-CG2 3.98Å; R38-V152 HydrophobicContact CG-CG2 3.83Å; R130-V152 HydrophobicContact CB-CB 3.72Å; R130-V152 HydrophobicContact CB-CG1 4.35Å; R130-V152 HydrophobicContact CB-CG2 3.82Å; R130-V152 HydrophobicContact CG-CB 3.67Å; R130-V152 HydrophobicContact CG-CG1 3.75Å; R130-V152 HydrophobicContact CG-CG2 4.12Å; Q140-V152 PolarHBondContact NE2-O 3.44Å
153V96.9Very high97.4Very high5 Ų527.4 Ų27.43%0.0315%0.148CC..EExtended strand (participates in β ladder)trans-134.5158.9-175.5-56.90000110.2E36 I37 I39 P93 G143 T151 V158E36-V153 CarbonylContact C-O 3.57Å; E36-V153 VanDerWaalsContact CA-O 3.25Å; E36-V153 WeakPolarHBondContact CA-O 3.29Å; I37-V153 HydrophobicContact CD1-CG2 4.45Å; I37-V153 HydrophobicContact CG1-CG2 3.77Å; I37-V153 PolarHBondContact N-O 2.81Å; I37-V153 PolarHBondContact O-N 3.1Å; I39-V153 HydrophobicContact CD1-CG2 3.56Å; I39-V153 HydrophobicContact CG1-CG2 4.3Å; P93-V153 HydrophobicContact CB-CG1 4.27Å; G143-V153 WeakPolarHBondContact O-CG1 3.37Å; T151-V153 HydrophobicContact CG2-CG1 4.11Å; V153-V158 HydrophobicContact CB-CG2 4.46Å; V153-V158 HydrophobicContact CG2-CG2 3.31Å
154K96.4Very high97.7Very high100 Ų10029.2 Ų29.244%0.43516%0.159SC..EExtended strand (participates in β ladder)trans-72.6141173.7-63.9-175.7177.2-1760110.1M156 S157K154-M156 HydrophobicContact CB-CE 4.35Å; K154-M156 HydrophobicContact CB-CG 4.1Å; K154-M156 HydrophobicContact CD-CE 3.64Å; K154-M156 PolarHBondContact O-N 3.22Å; K154-M156 VanDerWaalsContact O-N 3.08Å; K154-S157 WeakPolarHBondContact O-CA 3.38Å; K154-S157 WeakPolarHBondContact O-CB 3.44Å; K154-S157 PolarHBondContact O-N 3.04Å
155E96.9Very high97.8Very high21 Ų2129.2 Ų29.210%0.09816%0.159CC..G310 helixtrans-59-27.3-177.970.3168.2179.400113.6K35 I37 V82 F85 S157 V158K35-E155 HydrophobicContact CD-CG 4.33Å; K35-E155 WeakPolarHBondContact CD-OE1 3.42Å; K35-E155 WeakPolarHBondContact CE-OE1 3.47Å; K35-E155 IonicContact NZ-OE1 2.74Å; K35-E155 PolarHBondContact NZ-OE1 3.18Å; K35-E155 PolarHBondContact O-N 2.95Å; I37-E155 HydrophobicContact CG2-CB 4.42Å; V82-E155 VanDerWaalsContact CA-OE2 3.28Å; V82-E155 WeakPolarHBondContact CA-OE2 3.31Å; V82-E155 WeakPolarHBondContact CG1-OE2 3.31Å; V82-E155 HydrophobicContact CG2-CB 4.24Å; F85-E155 HydrophobicContact CD2-CB 4.13Å; F85-E155 HydrophobicContact CE2-CB 4.01Å; F85-E155 WeakPolarHBondContact CE2-O 3.36Å; E155-S157 PolarHBondContact O-N 3.27Å; E155-V158 PolarHBondContact O-N 3.34Å
156M96.2Very high97.8Very high27 Ų2730.9 Ų30.913%0.13317%0.17CC..G310 helixtrans-71-14.6176.466.2174.1-173.600113.3P97 Q98 C99 N115 K154P97-M156 CarbonylContact C-O 3.36Å; P97-M156 VanDerWaalsContact CA-O 3.28Å; P97-M156 WeakPolarHBondContact CA-O 3.07Å; P97-M156 HydrophobicContact CB-CB 4.43Å; P97-M156 HydrophobicContact CB-CE 4.12Å; P97-M156 HydrophobicContact CB-CG 3.87Å; P97-M156 HydrophobicContact CB-SD 4.11Å; P97-M156 HydrophobicContact CG-CE 4.4Å; Q98-M156 PolarHBondContact N-O 2.87Å; C99-M156 HydrophobicContact CB-CB 4.33Å; C99-M156 HydrophobicContact CB-SD 4.08Å; N115-M156 HydrophobicContact CB-CE 3.74Å; N115-M156 HydrophobicContact CB-SD 3.66Å; N115-M156 WeakPolarHBondContact O-CE 3.26Å; K154-M156 HydrophobicContact CB-CE 4.35Å; K154-M156 HydrophobicContact CB-CG 4.1Å; K154-M156 HydrophobicContact CD-CE 3.64Å; K154-M156 PolarHBondContact O-N 3.22Å; K154-M156 VanDerWaalsContact O-N 3.08Å
157S96.7Very high97.8Very high11 Ų1131 Ų318%0.07717%0.17CC..G310 helixtrans-101.225.2179.6-68.60000112P93 L94 P97 K154 E155P93-S157 CarbonylContact C-O 3.52Å; L94-S157 PolarHBondContact N-O 2.92Å; L94-S157 WeakPolarHBondContact O-CB 3.36Å; P97-S157 WeakPolarHBondContact CB-OG 3.41Å; K154-S157 WeakPolarHBondContact O-CA 3.38Å; K154-S157 WeakPolarHBondContact O-CB 3.44Å; K154-S157 PolarHBondContact O-N 3.04Å; E155-S157 PolarHBondContact O-N 3.27Å
158V98.3Very high97.8Very high0 Ų033.4 Ų33.40%018%0.184CC..EExtended strand (participates in β ladder)trans-134.6126.8-174.5-175.40000110.6I37 I39 F85 V91 V153 E155 K325I37-V158 HydrophobicContact CD1-CB 4.05Å; I37-V158 HydrophobicContact CD1-CG1 3.76Å; I37-V158 HydrophobicContact CD1-CG2 3.62Å; I37-V158 HydrophobicContact CG1-CG2 4.05Å; I39-V158 HydrophobicContact CD1-CG1 4.48Å; I39-V158 HydrophobicContact CD1-CG2 4.26Å; F85-V158 HydrophobicContact CD1-CG1 4.35Å; F85-V158 HydrophobicContact CE1-CB 4.06Å; F85-V158 HydrophobicContact CE1-CG1 3.61Å; F85-V158 HydrophobicContact CE2-CB 4.3Å; F85-V158 HydrophobicContact CZ-CB 3.71Å; F85-V158 HydrophobicContact CZ-CG1 3.81Å; F85-V158 WeakPolarHBondContact CZ-O 3.4Å; V91-V158 HydrophobicContact CB-CG1 3.58Å; V91-V158 HydrophobicContact CG1-CG1 3.67Å; V91-V158 HydrophobicContact CG2-CG1 4.23Å; V153-V158 HydrophobicContact CB-CG2 4.46Å; V153-V158 HydrophobicContact CG2-CG2 3.31Å; E155-V158 PolarHBondContact O-N 3.34Å; V158-K325 VanDerWaalsContact O-CE 3.29Å; V158-K325 WeakPolarHBondContact O-CE 3.38Å; V158-K325 VanDerWaalsContact O-CG 3.31Å; V158-K325 WeakPolarHBondContact O-CG 3.31Å
159A98.4Very high97.8Very high1 Ų136.1 Ų36.11%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-93.3125166.800000109.7V91 I92 L94 I161 V328V91-A159 CarbonylContact C-O 3.57Å; V91-A159 VanDerWaalsContact CA-O 3.24Å; V91-A159 WeakPolarHBondContact CA-O 3.44Å; I92-A159 PolarHBondContact N-O 3.01Å; I92-A159 PolarHBondContact O-N 3.29Å; L94-A159 HydrophobicContact CD1-CB 4Å; A159-I161 HydrophobicContact CB-CG2 4.35Å; A159-V328 HydrophobicContact CB-CB 3.85Å; A159-V328 HydrophobicContact CB-CG1 3.69Å
160K98.6Very high97.7Very high96 Ų9633.7 Ų33.742%0.41718%0.183SC..EExtended strand (participates in β ladder)trans-77.6132.1164.3-172.3169.7-179158.90108.5F85 D89F85-K160 HydrophobicContact CD1-CB 4.39Å; F85-K160 HydrophobicContact CE1-CB 3.85Å; D89-K160 WeakPolarHBondContact OD1-CE 3.36Å; D89-K160 IonicContact OD1-NZ 2.77Å; D89-K160 PolarHBondContact OD1-NZ 3.02Å; D89-K160 WeakPolarHBondContact OD2-CE 3.29Å; D89-K160 IonicContact OD2-NZ 3.44Å; D89-K160 PolarHBondContact OD2-NZ 2.68Å
161I98.6Very high97.7Very high12 Ų1232.2 Ų32.26%0.06218%0.176CC..  trans-127.4170.7-174.763.9160.9000110.9T90 I92 A159 A165 L167 V170 V332T90-I161 HydrophobicContact CG2-CD1 3.89Å; T90-I161 HydrophobicContact CG2-CG1 3.75Å; T90-I161 WeakPolarHBondContact O-CG1 3.27Å; T90-I161 PolarHBondContact O-N 3.37Å; I92-I161 HydrophobicContact CD1-CD1 4.03Å; I92-I161 HydrophobicContact CD1-CG2 4.13Å; I92-I161 HydrophobicContact CG1-CD1 3.94Å; I92-I161 HydrophobicContact CG1-CG2 4.28Å; A159-I161 HydrophobicContact CB-CG2 4.35Å; I161-A165 HydrophobicContact CD1-CB 4.01Å; I161-L167 HydrophobicContact CD1-CD2 4.15Å; I161-V170 HydrophobicContact CD1-CG2 3.74Å; I161-V332 HydrophobicContact CB-CB 4.47Å; I161-V332 HydrophobicContact CB-CG1 4.18Å; I161-V332 HydrophobicContact CB-CG2 4.29Å; I161-V332 HydrophobicContact CD1-CG1 4.46Å; I161-V332 HydrophobicContact CD1-CG2 4.41Å; I161-V332 HydrophobicContact CG2-CB 4.38Å; I161-V332 HydrophobicContact CG2-CG2 3.87Å
162D97.9Very high97.6Very high80 Ų8032.3 Ų32.343%0.42818%0.177SC..  trans-63.5128.2176.8-166.8-52.3000110.2A164 A165 L336D162-A164 PolarHBondContact O-N 3.36Å; D162-A164 VanDerWaalsContact OD1-CB 3.26Å; D162-A164 WeakPolarHBondContact OD1-CB 3.07Å; D162-A164 PolarHBondContact OD1-N 3.16Å; D162-A165 WeakPolarHBondContact O-CB 3.4Å; D162-A165 PolarHBondContact O-N 3.25Å; D162-L336 HydrophobicContact CB-CD1 3.67Å
163P97.3Very high97.6Very high97 Ų9732.1 Ų32.163%0.6318%0.175SC*.THydrogen-bonded Turntrans-65.6-16.1-179.427.9-36.1000114.1T90 A165T90-P163 WeakPolarHBondContact OG1-CA 3.31Å; P163-A165 PolarHBondContact O-N 3.32Å
164A96.6Very high97.6Very high74 Ų7431.9 Ų31.961%0.61217%0.174SC*.THydrogen-bonded Turntrans-76.8-8.5173.300000113.2D162D162-A164 PolarHBondContact O-N 3.36Å; D162-A164 VanDerWaalsContact OD1-CB 3.26Å; D162-A164 WeakPolarHBondContact OD1-CB 3.07Å; D162-A164 PolarHBondContact OD1-N 3.16Å
165A97.9Very high97.6Very high0 Ų027.6 Ų27.60%016%0.157CC..SBendtrans-67.9127.3-179.200000112.2I161 D162 P163 L167 V170 V332I161-A165 HydrophobicContact CD1-CB 4.01Å; D162-A165 WeakPolarHBondContact O-CB 3.4Å; D162-A165 PolarHBondContact O-N 3.25Å; P163-A165 PolarHBondContact O-N 3.32Å; A165-L167 PolarHBondContact O-N 3.42Å; A165-L167 VanDerWaalsContact O-N 3.15Å; A165-V170 HydrophobicContact CB-CG1 4.02Å; A165-V170 HydrophobicContact CB-CG2 4.04Å; A165-V332 HydrophobicContact CB-CG1 3.81Å
166P97.9Very high97.5Very high36 Ų3626.6 Ų26.623%0.23415%0.152CC..  trans-67.6111.6173.226.5-32.8000110.3D168 R169 V170 Y335P166-D168 VanDerWaalsContact C-N 3.27Å; P166-D168 PolarHBondContact O-N 3.06Å; P166-R169 HydrophobicContact CB-CB 4.39Å; P166-R169 HydrophobicContact CB-CG 4Å; P166-R169 HydrophobicContact CG-CB 4.03Å; P166-R169 HydrophobicContact CG-CG 3.88Å; P166-R169 WeakPolarHBondContact O-CB 3.12Å; P166-R169 PolarHBondContact O-N 3.21Å; P166-V170 WeakPolarHBondContact O-CG2 3.44Å; P166-V170 PolarHBondContact O-N 2.63Å; P166-Y335 HydrophobicContact CG-CE1 3.65Å
167L98.5Very high97.6Very high1 Ų125.3 Ų25.31%0.00515%0.146CC..Hα-helixtrans-67.6-28.3-170.6-57.8-178.2000113.1V42 A72 V74 T90 I161 A165 R169 V170 C171 Q377V42-L167 HydrophobicContact CB-CB 4.26Å; V42-L167 HydrophobicContact CB-CD1 3.82Å; V42-L167 HydrophobicContact CG1-CB 4.09Å; V42-L167 HydrophobicContact CG1-CD1 4.08Å; V42-L167 HydrophobicContact CG2-CD1 3.78Å; A72-L167 HydrophobicContact CB-CB 3.79Å; A72-L167 HydrophobicContact CB-CD2 3.78Å; A72-L167 HydrophobicContact CB-CG 4.28Å; A72-L167 WeakPolarHBondContact CB-O 3.35Å; V74-L167 HydrophobicContact CG2-CD1 4.38Å; T90-L167 HydrophobicContact CG2-CD1 4.32Å; T90-L167 HydrophobicContact CG2-CD2 3.28Å; T90-L167 HydrophobicContact CG2-CG 4.33Å; I161-L167 HydrophobicContact CD1-CD2 4.15Å; A165-L167 PolarHBondContact O-N 3.42Å; A165-L167 VanDerWaalsContact O-N 3.15Å; L167-R169 PolarHBondContact O-N 2.93Å; L167-V170 HydrophobicContact CD2-CG2 4.23Å; L167-C171 WeakPolarHBondContact O-CB 3.25Å; L167-C171 PolarHBondContact O-N 2.97Å; L167-Q377 HydrophobicContact CD1-CG 4.12Å
168D97.5Very high97.7Very high56 Ų5624.8 Ų24.830%0.29914%0.142SC..Hα-helixtrans-74.11.2172.570.8-28.4000113.7A43 P166 I346 V371A43-D168 HydrophobicContact CB-CB 4.09Å; P166-D168 VanDerWaalsContact C-N 3.27Å; P166-D168 PolarHBondContact O-N 3.06Å; D168-I346 WeakPolarHBondContact O-CD1 3.1Å; D168-V371 HydrophobicContact CB-CG1 4.42Å
169R97.8Very high97.7Very high56 Ų5625.4 Ų25.421%0.21115%0.146CC..Hα-helixtrans-113.9-55.6170.7-54.6-63.6179.3-93.4-12.2111P166 L167 C171 L172 Y335 V342 D343 I346P166-R169 HydrophobicContact CB-CB 4.39Å; P166-R169 HydrophobicContact CB-CG 4Å; P166-R169 HydrophobicContact CG-CB 4.03Å; P166-R169 HydrophobicContact CG-CG 3.88Å; P166-R169 WeakPolarHBondContact O-CB 3.12Å; P166-R169 PolarHBondContact O-N 3.21Å; L167-R169 PolarHBondContact O-N 2.93Å; R169-C171 PolarHBondContact O-N 3.05Å; R169-C171 VanDerWaalsContact O-N 3.13Å; R169-L172 PolarHBondContact O-N 2.62Å; R169-Y335 HydrophobicContact CB-CE1 4.36Å; R169-Y335 WeakPolarHBondContact CG-OH 3.43Å; R169-V342 HydrophobicContact CB-CG1 4.21Å; R169-V342 WeakPolarHBondContact O-CG1 3.24Å; R169-D343 WeakPolarHBondContact CD-OD1 3.05Å; R169-D343 IonicContact NE-OD1 2.72Å; R169-D343 IonicContact NE-OD2 3.2Å; R169-I346 HydrophobicContact CG-CD1 4.48Å
170V98.3Very high97.7Very high0 Ų025.4 Ų25.40%015%0.146CC..Hα-helixtrans-71.1-11.6-171-59.40000114A72 I92 I161 A165 P166 L167 L172 I173 V332 Y335A72-V170 HydrophobicContact CB-CG2 4.16Å; I92-V170 HydrophobicContact CD1-CB 4.24Å; I92-V170 HydrophobicContact CD1-CG2 4.17Å; I92-V170 WeakPolarHBondContact CD1-O 3.37Å; I161-V170 HydrophobicContact CD1-CG2 3.74Å; A165-V170 HydrophobicContact CB-CG1 4.02Å; A165-V170 HydrophobicContact CB-CG2 4.04Å; P166-V170 WeakPolarHBondContact O-CG2 3.44Å; P166-V170 PolarHBondContact O-N 2.63Å; L167-V170 HydrophobicContact CD2-CG2 4.23Å; V170-L172 PolarHBondContact O-N 3.38Å; V170-L172 VanDerWaalsContact O-N 3.1Å; V170-I173 HydrophobicContact CB-CD1 4.03Å; V170-I173 HydrophobicContact CG1-CD1 4.04Å; V170-I173 WeakPolarHBondContact O-CB 3.29Å; V170-I173 PolarHBondContact O-N 3.26Å; V170-V332 HydrophobicContact CB-CG2 4.14Å; V170-V332 HydrophobicContact CG1-CG1 4.28Å; V170-V332 HydrophobicContact CG1-CG2 4.3Å; V170-Y335 HydrophobicContact CG1-CD1 3.64Å; V170-Y335 HydrophobicContact CG1-CE1 3.89Å; V170-Y335 HydrophobicContact CG1-CG 4.46Å
171C97.8Very high97.7Very high0 Ų022.9 Ų22.90%013%0.134CC..G310 helixtrans-54.6-27.9173.461.20000113.6E70 A71 A72 L167 R169 I173E70-C171 CarbonylContact C-O 3.58Å; A71-C171 PolarHBondContact N-O 2.85Å; A72-C171 HydrophobicContact CB-CB 3.95Å; L167-C171 WeakPolarHBondContact O-CB 3.25Å; L167-C171 PolarHBondContact O-N 2.97Å; R169-C171 PolarHBondContact O-N 3.05Å; R169-C171 VanDerWaalsContact O-N 3.13Å; C171-I173 VanDerWaalsContact C-N 3.32Å; C171-I173 PolarHBondContact O-N 3.49Å
172L97.8Very high97.7Very high1 Ų122.3 Ų22.31%0.00513%0.131CC..G310 helixtrans-75.6-18.7178.9-56.7-173.9000113.7E70 R169 V170 G174 C175 I177 F345 I346 R369 V371E70-L172 VanDerWaalsContact OE2-CD2 3.26Å; E70-L172 WeakPolarHBondContact OE2-CD2 3.47Å; R169-L172 PolarHBondContact O-N 2.62Å; V170-L172 PolarHBondContact O-N 3.38Å; V170-L172 VanDerWaalsContact O-N 3.1Å; L172-G174 PolarHBondContact O-N 2.53Å; L172-C175 PolarHBondContact O-N 2.9Å; L172-I177 HydrophobicContact CB-CD1 3.71Å; L172-I177 HydrophobicContact CB-CG1 4.19Å; L172-F345 HydrophobicContact CD1-CB 3.98Å; L172-I346 HydrophobicContact CD1-CD1 4.24Å; L172-I346 HydrophobicContact CD1-CG1 3.6Å; L172-R369 HydrophobicContact CD1-CB 4.05Å; L172-R369 HydrophobicContact CD1-CG 4.04Å; L172-R369 HydrophobicContact CD2-CB 4.2Å; L172-R369 HydrophobicContact CD2-CG 4.02Å; L172-V371 HydrophobicContact CD2-CG2 4.11Å; L172-V371 HydrophobicContact CG-CG2 4.44Å
173I98.2Very high97.7Very high0 Ų018.5 Ų18.50%011%0.11CC..G310 helixtrans-68.7-25.5179.3-61177.5000110.7V170 C171 C175 I177 C178 V328 M331 V332 L340 V342V170-I173 HydrophobicContact CB-CD1 4.03Å; V170-I173 HydrophobicContact CG1-CD1 4.04Å; V170-I173 WeakPolarHBondContact O-CB 3.29Å; V170-I173 PolarHBondContact O-N 3.26Å; C171-I173 VanDerWaalsContact C-N 3.32Å; C171-I173 PolarHBondContact O-N 3.49Å; I173-C175 PolarHBondContact O-N 3.06Å; I173-C175 VanDerWaalsContact O-N 3.16Å; I173-I177 HydrophobicContact CG1-CD1 4.3Å; I173-C178 VanDerWaalsContact CG2-SG 3.59Å; I173-C178 WeakPolarHBondContact O-CB 3.45Å; I173-C178 PolarHBondContact O-SG 3.32Å; I173-V328 HydrophobicContact CG2-CG1 4.08Å; I173-V328 HydrophobicContact CG2-CG2 4.49Å; I173-M331 HydrophobicContact CG2-CB 3.6Å; I173-V332 HydrophobicContact CD1-CB 4.5Å; I173-V332 HydrophobicContact CD1-CG2 3.8Å; I173-V332 HydrophobicContact CG2-CG2 4.49Å; I173-L340 HydrophobicContact CD1-CD2 4.29Å; I173-V342 HydrophobicContact CD1-CG2 4.23Å; I173-V342 HydrophobicContact CG1-CG2 4.36Å
174G96.6Very high97.8Very high0 Ų013.9 Ų13.90%08%0.08CC..G310 helixtrans-67-8.7176.900000115.5L172 F319L172-G174 PolarHBondContact O-N 2.53Å; G174-F319 VanDerWaalsContact C-CE2 3.48Å; G174-F319 WeakPolarHBondContact O-CE2 3.48Å
175C96.4Very high97.9Very high10 Ų1012.2 Ų12.27%0.0686%0.063CC..THydrogen-bonded Turntrans-144.7-87.9174.3-172.90000113.6H69 E70 F95 L172 I173 I177 C178 T179H69-C175 PolarHBondContact NE2-SG 3.01Å; E70-C175 HydrophobicContact CG-CB 3.37Å; E70-C175 WeakPolarHBondContact OE1-CB 3.14Å; F95-C175 HydrophobicContact CE1-CB 4.15Å; L172-C175 PolarHBondContact O-N 2.9Å; I173-C175 PolarHBondContact O-N 3.06Å; I173-C175 VanDerWaalsContact O-N 3.16Å; C175-I177 PolarHBondContact O-N 2.8Å; C175-C178 PolarHBondContact O-N 2.75Å; C175-T179 WeakPolarHBondContact O-CB 3.36Å; C175-T179 PolarHBondContact O-N 3.35Å; C175-T179 PolarHBondContact O-OG1 2.82Å
176A94.7Very high97.9Very high0 Ų015.1 Ų15.10%08%0.078CC..Hα-helixtrans-64-40.9-161.500000113.7T179 G180 A203 V204A176-T179 PolarHBondContact O-N 3.19Å; A176-G180 PolarHBondContact O-N 2.93Å; A176-A203 HydrophobicContact CB-CB 3.67Å; A176-V204 HydrophobicContact CB-CG2 3.98Å
177I97.6Very high98Very high1 Ų115.3 Ų15.31%0.0058%0.079CC..Hα-helixtrans-66-52-176.4-61.8-178.3000110.5L172 I173 C175 T179 Y181 M210 M331 L340 V342 F345L172-I177 HydrophobicContact CB-CD1 3.71Å; L172-I177 HydrophobicContact CB-CG1 4.19Å; I173-I177 HydrophobicContact CG1-CD1 4.3Å; C175-I177 PolarHBondContact O-N 2.8Å; I177-T179 VanDerWaalsContact C-N 3.26Å; I177-T179 PolarHBondContact O-N 3.32Å; I177-Y181 WeakPolarHBondContact O-CB 3.41Å; I177-Y181 PolarHBondContact O-N 3.32Å; I177-M210 HydrophobicContact CG2-CE 4.15Å; I177-M331 HydrophobicContact CG2-CE 4.21Å; I177-L340 HydrophobicContact CG2-CD1 4.32Å; I177-L340 HydrophobicContact CG2-CD2 4.02Å; I177-L340 HydrophobicContact CG2-CG 4.47Å; I177-V342 HydrophobicContact CD1-CB 4.09Å; I177-V342 HydrophobicContact CD1-CG1 3.69Å; I177-V342 HydrophobicContact CD1-CG2 3.86Å; I177-F345 HydrophobicContact CD1-CD2 4.4Å
178C98.3Very high98Very high0 Ų015.8 Ų15.80%08%0.083CC..Hα-helixtrans-58.5-40.1174-79.40000111.7I173 C175 G182 F319 G320 F322I173-C178 VanDerWaalsContact CG2-SG 3.59Å; I173-C178 WeakPolarHBondContact O-CB 3.45Å; I173-C178 PolarHBondContact O-SG 3.32Å; C175-C178 PolarHBondContact O-N 2.75Å; C178-G182 WeakPolarHBondContact O-CA 3.46Å; C178-G182 PolarHBondContact O-N 2.74Å; C178-F319 HydrophobicContact CB-CD2 4.03Å; C178-F319 HydrophobicContact CB-CE1 4.16Å; C178-F319 HydrophobicContact CB-CE2 3.45Å; C178-F319 VanDerWaalsContact CB-CE2 3.45Å; C178-F319 HydrophobicContact CB-CZ 3.55Å; C178-G320 WeakPolarHBondContact O-CA 3.25Å; C178-F322 HydrophobicContact CB-CD2 3.81Å; C178-F322 HydrophobicContact CB-CE2 4.27Å; C178-F322 WeakPolarHBondContact O-CD2 3.49Å; C178-F322 WeakPolarHBondContact O-CE2 3.22Å
179T98.5Very high98Very high13 Ų1320.2 Ų20.28%0.0810%0.099CC..Hα-helixtrans-61.4-56.1-178.8-58.60000112C175 A176 I177 A183 V204 A293 G320C175-T179 WeakPolarHBondContact O-CB 3.36Å; C175-T179 PolarHBondContact O-N 3.35Å; C175-T179 PolarHBondContact O-OG1 2.82Å; A176-T179 PolarHBondContact O-N 3.19Å; I177-T179 VanDerWaalsContact C-N 3.26Å; I177-T179 PolarHBondContact O-N 3.32Å; T179-A183 WeakPolarHBondContact O-CB 3.35Å; T179-A183 PolarHBondContact O-N 3.35Å; T179-V204 HydrophobicContact CG2-CG1 3.94Å; T179-V204 HydrophobicContact CG2-CG2 4.47Å; T179-A293 HydrophobicContact CG2-CB 4.5Å; T179-G320 VanDerWaalsContact O-CA 3.31Å; T179-G320 WeakPolarHBondContact O-CA 3.33Å
180G98.5Very high98.1Very high0 Ų018.1 Ų18.10%09%0.093CC..Hα-helixtrans-69-50.8-178.500000112.8A176 G182 A183 A184 V204 A208A176-G180 PolarHBondContact O-N 2.93Å; G180-G182 VanDerWaalsContact C-N 3.32Å; G180-G182 PolarHBondContact O-N 3.5Å; G180-A183 VanDerWaalsContact O-CB 3.28Å; G180-A183 WeakPolarHBondContact O-CB 3.28Å; G180-A183 PolarHBondContact O-N 2.71Å; G180-A183 VanDerWaalsContact O-N 3.13Å; G180-A184 PolarHBondContact O-N 2.83Å; G180-V204 VanDerWaalsContact CA-O 3.24Å; G180-V204 WeakPolarHBondContact CA-O 3.49Å; G180-A208 VanDerWaalsContact O-CA 3.3Å; G180-A208 WeakPolarHBondContact O-CA 3.39Å
181Y98.8Very high98.1Very high43 Ų4324.3 Ų24.317%0.16912%0.122CC..Hα-helixtrans-58.4-47.8-179-173.8-87000110.8I177 A183 A184 V185 A207 M210 A214 F322 M331 L340I177-Y181 WeakPolarHBondContact O-CB 3.41Å; I177-Y181 PolarHBondContact O-N 3.32Å; Y181-A183 VanDerWaalsContact C-N 3.34Å; Y181-A183 PolarHBondContact O-N 3.48Å; Y181-A184 PolarHBondContact O-N 2.86Å; Y181-V185 HydrophobicContact CD1-CG1 4.23Å; Y181-V185 HydrophobicContact CD1-CG2 3.7Å; Y181-V185 HydrophobicContact CE1-CB 4.36Å; Y181-V185 HydrophobicContact CE1-CG1 3.82Å; Y181-V185 HydrophobicContact CE1-CG2 3.62Å; Y181-V185 WeakPolarHBondContact O-CG2 3.35Å; Y181-V185 PolarHBondContact O-N 3.01Å; Y181-A207 WeakPolarHBondContact CA-O 3.27Å; Y181-A207 PolarHBondContact N-O 3.39Å; Y181-M210 HydrophobicContact CD2-CE 4.04Å; Y181-M210 HydrophobicContact CD2-CG 4.16Å; Y181-M210 HydrophobicContact CE2-CG 4.32Å; Y181-A214 HydrophobicContact CE2-CB 3.75Å; Y181-A214 WeakPolarHBondContact OH-CB 3.11Å; Y181-F322 HydrophobicContact CD1-CE2 4.34Å; Y181-F322 HydrophobicContact CD1-CZ 4.11Å; Y181-M331 HydrophobicContact CD1-CE 3.62Å; Y181-M331 HydrophobicContact CD1-SD 4.09Å; Y181-M331 HydrophobicContact CD2-CE 4.42Å; Y181-M331 HydrophobicContact CE1-CE 4.15Å; Y181-M331 HydrophobicContact CE1-SD 4.17Å; Y181-M331 HydrophobicContact CG-CE 3.77Å; Y181-L340 HydrophobicContact CD2-CD1 3.96Å; Y181-L340 HydrophobicContact CE2-CD1 4.05Å
182G98.7Very high98.1Very high0 Ų028.4 Ų28.40%016%0.156CC..Hα-helixtrans-67.4-29.7177.900000113.9C178 G180 A184 N186 T187 G320C178-G182 WeakPolarHBondContact O-CA 3.46Å; C178-G182 PolarHBondContact O-N 2.74Å; G180-G182 VanDerWaalsContact C-N 3.32Å; G180-G182 PolarHBondContact O-N 3.5Å; G182-A184 PolarHBondContact O-N 3.38Å; G182-N186 WeakPolarHBondContact O-CA 3.41Å; G182-N186 VanDerWaalsContact O-CB 3.29Å; G182-N186 WeakPolarHBondContact O-CB 3.27Å; G182-N186 PolarHBondContact O-N 3.08Å; G182-T187 PolarHBondContact O-N 3.47Å; G182-T187 VanDerWaalsContact O-N 3.08Å; G182-G320 CarbonylContact C-O 3.59Å; G182-G320 WeakPolarHBondContact CA-O 3.18Å
183A98.8Very high98.1Very high0 Ų030.7 Ų30.70%018%0.179CC..Iπ-helixtrans-55.1-46.1172.100000110.4T179 G180 Y181 T187 A188 F267 V291 T317T179-A183 WeakPolarHBondContact O-CB 3.35Å; T179-A183 PolarHBondContact O-N 3.35Å; G180-A183 VanDerWaalsContact O-CB 3.28Å; G180-A183 WeakPolarHBondContact O-CB 3.28Å; G180-A183 PolarHBondContact O-N 2.71Å; G180-A183 VanDerWaalsContact O-N 3.13Å; Y181-A183 VanDerWaalsContact C-N 3.34Å; Y181-A183 PolarHBondContact O-N 3.48Å; A183-T187 WeakPolarHBondContact O-CB 3.27Å; A183-A188 WeakPolarHBondContact O-CB 3.42Å; A183-A188 PolarHBondContact O-N 3.01Å; A183-F267 HydrophobicContact CB-CD1 3.94Å; A183-F267 HydrophobicContact CB-CE1 4.18Å; A183-F267 WeakPolarHBondContact O-CE1 3.4Å; A183-V291 HydrophobicContact CB-CG1 4.34Å; A183-T317 HydrophobicContact CB-CG2 3.8Å
184A98.8Very high98.2Very high0 Ų031.1 Ų31.10%018%0.183CC..Iπ-helixtrans-71.5-55.2178.100000112.2G180 Y181 G182 K189 V190 F267G180-A184 PolarHBondContact O-N 2.83Å; Y181-A184 PolarHBondContact O-N 2.86Å; G182-A184 PolarHBondContact O-N 3.38Å; A184-K189 PolarHBondContact O-N 3.04Å; A184-V190 HydrophobicContact CB-CG2 4.15Å; A184-V190 PolarHBondContact O-N 3.43Å; A184-V190 VanDerWaalsContact O-N 3.11Å; A184-F267 HydrophobicContact CB-CE1 4.15Å; A184-F267 HydrophobicContact CB-CZ 3.95Å
185V98.6Very high98.3Very high40 Ų4031.9 Ų31.924%0.24219%0.188CC..Iπ-helixtrans-81-33.6-169.1-55.10000114.2Y181Y181-V185 HydrophobicContact CD1-CG1 4.23Å; Y181-V185 HydrophobicContact CD1-CG2 3.7Å; Y181-V185 HydrophobicContact CE1-CB 4.36Å; Y181-V185 HydrophobicContact CE1-CG1 3.82Å; Y181-V185 HydrophobicContact CE1-CG2 3.62Å; Y181-V185 WeakPolarHBondContact O-CG2 3.35Å; Y181-V185 PolarHBondContact O-N 3.01Å
186N98.4Very high98.4Very high60 Ų6031.4 Ų31.432%0.32119%0.185SC..Iπ-helixtrans-101.5-45.9-174.2-59-39.8000112.3G182 K189 G320 F322G182-N186 WeakPolarHBondContact O-CA 3.41Å; G182-N186 VanDerWaalsContact O-CB 3.29Å; G182-N186 WeakPolarHBondContact O-CB 3.27Å; G182-N186 PolarHBondContact O-N 3.08Å; N186-K189 WeakPolarHBondContact O-CG 3.48Å; N186-G320 WeakPolarHBondContact CB-O 3.49Å; N186-G320 PolarHBondContact ND2-O 3.24Å; N186-F322 WeakPolarHBondContact ND2-CE2 3.41Å; N186-F322 WeakPolarHBondContact ND2-CZ 3.43Å
187T98.6Very high98.6Very high40 Ų4031.4 Ų31.425%0.24519%0.185CC..Iπ-helixtrans-83.2-58.5-174.2-55.10000111.9G182 A183 V291 T315 T317G182-T187 PolarHBondContact O-N 3.47Å; G182-T187 VanDerWaalsContact O-N 3.08Å; A183-T187 WeakPolarHBondContact O-CB 3.27Å; T187-V291 HydrophobicContact CG2-CG1 3.97Å; T187-V291 HydrophobicContact CG2-CG2 4.4Å; T187-T315 HydrophobicContact CG2-CG2 4.11Å; T187-T317 WeakPolarHBondContact OG1-CB 3.22Å; T187-T317 PolarHBondContact OG1-OG1 3.33Å
188A98.6Very high98.7Very high12 Ų1231.4 Ų31.410%0.09918%0.184CC..Iπ-helixtrans-70.2-35.8176.200000111.6A183 V190 F265 F267 V291A183-A188 WeakPolarHBondContact O-CB 3.42Å; A183-A188 PolarHBondContact O-N 3.01Å; A188-V190 VanDerWaalsContact C-N 3.35Å; A188-V190 HydrophobicContact CB-CG2 4.01Å; A188-F265 HydrophobicContact CB-CD1 3.68Å; A188-F265 HydrophobicContact CB-CE1 4.09Å; A188-F265 WeakPolarHBondContact O-CE1 3.38Å; A188-F267 HydrophobicContact CB-CE1 3.64Å; A188-F267 HydrophobicContact CB-CZ 3.62Å; A188-V291 HydrophobicContact CB-CG2 3.87Å
189K98.4Very high98.7Very high148 Ų14831.6 Ų31.664%0.64319%0.185SC*.  trans54.254.2-170.1-56.8-178.2177.2-1760110.5A184 N186 E191A184-K189 PolarHBondContact O-N 3.04Å; N186-K189 WeakPolarHBondContact O-CG 3.48Å; K189-E191 PolarHBondContact O-N 3.42Å
190V98.9Very high98.7Very high12 Ų1231.1 Ų31.17%0.07318%0.183CC..PPolyproline II helixtrans-48.2133.8178.5173.30000109.7A184 A188 A215 A217 F265 F267A184-V190 HydrophobicContact CB-CG2 4.15Å; A184-V190 PolarHBondContact O-N 3.43Å; A184-V190 VanDerWaalsContact O-N 3.11Å; A188-V190 VanDerWaalsContact C-N 3.35Å; A188-V190 HydrophobicContact CB-CG2 4.01Å; V190-A215 HydrophobicContact CB-CB 3.69Å; V190-A215 HydrophobicContact CG1-CB 3.79Å; V190-A217 HydrophobicContact CG1-CB 4.06Å; V190-F265 HydrophobicContact CB-CD2 4.42Å; V190-F265 HydrophobicContact CB-CE2 4.49Å; V190-F265 HydrophobicContact CG1-CD2 4.29Å; V190-F265 HydrophobicContact CG1-CE2 4.46Å; V190-F265 HydrophobicContact CG2-CB 4.29Å; V190-F265 HydrophobicContact CG2-CD1 4.29Å; V190-F265 HydrophobicContact CG2-CD2 4.04Å; V190-F265 HydrophobicContact CG2-CE2 4.49Å; V190-F265 HydrophobicContact CG2-CG 3.94Å; V190-F267 HydrophobicContact CG2-CE2 4.24Å; V190-F267 HydrophobicContact CG2-CZ 3.7Å
191E98.4Very high98.6Very high131 Ų13131.1 Ų31.161%0.61218%0.183SC*.PPolyproline II helixtrans-96.1151.6-177.8-59.7172173.400109.8K189 G193 S194K189-E191 PolarHBondContact O-N 3.42Å; E191-G193 PolarHBondContact O-N 3.49Å; E191-S194 VanDerWaalsContact O-CB 3.31Å; E191-S194 WeakPolarHBondContact O-CB 3.46Å; E191-S194 PolarHBondContact O-N 3.02Å; E191-S194 PolarHBondContact O-OG 3.12Å; E191-S194 VanDerWaalsContact O-OG 3.06Å
192A98.7Very high98.5Very high86 Ų8630.4 Ų30.471%0.71119%0.189SC*.THydrogen-bonded Turntrans-62.3134.6175.600000110S194 G216A192-S194 VanDerWaalsContact C-N 3.34Å; A192-G216 CarbonylContact C-O 3.46Å; A192-G216 WeakPolarHBondContact CA-O 3.4Å
193G98.5Very high98.4Very high48 Ų4830.5 Ų30.550%0.49519%0.189SC..THydrogen-bonded Turntrans88.9-10.6-17700000114.9E191 G216 S218E191-G193 PolarHBondContact O-N 3.49Å; G193-G216 PolarHBondContact N-O 3.38Å; G193-S218 WeakPolarHBondContact O-CB 3.41Å; G193-S218 PolarHBondContact O-OG 3Å
194S98.7Very high98.4Very high10 Ų1031.8 Ų31.87%0.0720%0.197CC..  trans-67.9158.7-179.5-60.60000114E191 A192 A217 S218 D264 F265E191-S194 VanDerWaalsContact O-CB 3.31Å; E191-S194 WeakPolarHBondContact O-CB 3.46Å; E191-S194 PolarHBondContact O-N 3.02Å; E191-S194 PolarHBondContact O-OG 3.12Å; E191-S194 VanDerWaalsContact O-OG 3.06Å; A192-S194 VanDerWaalsContact C-N 3.34Å; S194-A217 CarbonylContact O-C 3.55Å; S194-A217 VanDerWaalsContact O-CA 3.31Å; S194-A217 WeakPolarHBondContact O-CA 3.43Å; S194-A217 WeakPolarHBondContact O-CB 3.4Å; S194-S218 PolarHBondContact O-N 2.94Å; S194-S218 PolarHBondContact O-OG 3.26Å; S194-D264 WeakPolarHBondContact CA-OD2 3.39Å; S194-F265 WeakPolarHBondContact OG-CE2 3.46Å
195S98.9Very high98.4Very high16 Ų1631.8 Ų31.811%0.11220%0.197CC..EExtended strand (participates in β ladder)trans-96.3137.1169.160.70000111R219 V263 D264 F265S195-R219 CarbonylContact C-O 3.58Å; S195-R219 WeakPolarHBondContact CA-O 3.42Å; S195-V263 WeakPolarHBondContact OG-CA 3.49Å; S195-D264 PolarHBondContact N-OD2 3.41Å; S195-D264 WeakPolarHBondContact O-CB 3.45Å; S195-D264 PolarHBondContact O-N 2.94Å; S195-D264 VanDerWaalsContact O-N 3.13Å; S195-D264 PolarHBondContact OG-N 2.85Å; S195-D264 PolarHBondContact OG-OD2 2.91Å; S195-F265 PolarHBondContact O-N 3.37Å; S195-F265 VanDerWaalsContact O-N 3.08Å
196C98.9Very high98.4Very high0 Ų029.9 Ų29.90%019%0.186CC..EExtended strand (participates in β ladder)trans-129.5139.5-177.4-64.20000111.4C212 R219 I220 I221 F265 F267C196-C212 HydrophobicContact CB-CB 4.22Å; C196-R219 PolarHBondContact N-O 2.83Å; C196-I220 HydrophobicContact CB-CG1 4.5Å; C196-I220 WeakPolarHBondContact O-CA 3.14Å; C196-I221 PolarHBondContact O-N 3.19Å; C196-F265 CarbonylContact C-O 3.55Å; C196-F265 WeakPolarHBondContact CA-O 3.48Å; C196-F267 HydrophobicContact CB-CE2 4.37Å
197A98.9Very high98.4Very high0 Ų027 Ų270%017%0.17CC..EExtended strand (participates in β ladder)trans-114.3131.7166.800000110.6F199 I221 I223 L255 V263 F265 S266 F267A197-F199 HydrophobicContact CB-CD2 4.45Å; A197-F199 HydrophobicContact CB-CE2 3.79Å; A197-F199 HydrophobicContact CB-CZ 4.46Å; A197-I221 CarbonylContact C-O 3.53Å; A197-I221 WeakPolarHBondContact CA-O 3.37Å; A197-I223 HydrophobicContact CB-CD1 3.83Å; A197-L255 HydrophobicContact CB-CD1 4.06Å; A197-V263 HydrophobicContact CB-CB 4.44Å; A197-V263 HydrophobicContact CB-CG1 3.96Å; A197-V263 HydrophobicContact CB-CG2 3.85Å; A197-F265 PolarHBondContact N-O 3.34Å; A197-S266 CarbonylContact O-C 3.49Å; A197-S266 VanDerWaalsContact O-CA 3.25Å; A197-S266 WeakPolarHBondContact O-CA 3.46Å; A197-F267 PolarHBondContact O-N 2.84Å
198V98.9Very high98.4Very high0 Ų025.1 Ų25.10%016%0.159CC..EExtended strand (participates in β ladder)trans-120.5111.9178.2-177.20000109.8G205 A208 V209 I221 I223 F267V198-G205 WeakPolarHBondContact CG1-O 3.34Å; V198-A208 HydrophobicContact CG1-CB 4.19Å; V198-A208 HydrophobicContact CG2-CB 4.38Å; V198-V209 HydrophobicContact CB-CG2 4.03Å; V198-V209 HydrophobicContact CG1-CG2 4.2Å; V198-V209 HydrophobicContact CG2-CG2 3.87Å; V198-I221 PolarHBondContact N-O 2.87Å; V198-I223 WeakPolarHBondContact O-CD1 3.28Å; V198-I223 PolarHBondContact O-N 2.92Å; V198-F267 HydrophobicContact CG1-CB 4.5Å; V198-F267 HydrophobicContact CG2-CB 4.42Å; V198-F267 HydrophobicContact CG2-CD2 4.02Å
199F98.9Very high98.4Very high4 Ų424.5 Ų24.52%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-93.6115.5-178.9-63.5-101.7000110.6A197 I223 I251 L255 F267 C269 I270 V275 A279A197-F199 HydrophobicContact CB-CD2 4.45Å; A197-F199 HydrophobicContact CB-CE2 3.79Å; A197-F199 HydrophobicContact CB-CZ 4.46Å; F199-I223 HydrophobicContact CD1-CB 4.3Å; F199-I223 HydrophobicContact CD1-CD1 4.41Å; F199-I223 HydrophobicContact CD1-CG2 4.2Å; F199-I223 HydrophobicContact CD2-CD1 4.35Å; F199-I223 HydrophobicContact CE1-CD1 4.4Å; F199-I223 HydrophobicContact CE2-CD1 4.31Å; F199-I223 HydrophobicContact CG-CD1 4.41Å; F199-I223 HydrophobicContact CZ-CD1 4.36Å; F199-I251 HydrophobicContact CE1-CG1 3.98Å; F199-I251 HydrophobicContact CE1-CG2 4.01Å; F199-L255 HydrophobicContact CE1-CD1 4.04Å; F199-L255 HydrophobicContact CE2-CD1 4.15Å; F199-L255 HydrophobicContact CZ-CD1 3.38Å; F199-F267 PolarHBondContact N-O 3.1Å; F199-C269 WeakPolarHBondContact O-CA 3.47Å; F199-C269 WeakPolarHBondContact O-CB 3.39Å; F199-C269 PolarHBondContact O-N 3.28Å; F199-I270 HydrophobicContact CB-CD1 4.45Å; F199-V275 HydrophobicContact CB-CG1 3.72Å; F199-V275 HydrophobicContact CD1-CG1 3.68Å; F199-V275 HydrophobicContact CG-CG1 3.94Å; F199-A279 HydrophobicContact CD2-CB 3.72Å; F199-A279 HydrophobicContact CE2-CB 3.66Å; F199-A279 HydrophobicContact CG-CB 4.39Å; F199-A279 HydrophobicContact CZ-CB 4.24Å
200G98.2Very high98.4Very high4 Ų418.1 Ų18.14%0.04113%0.126CC..  trans90.2120.5-176.700000112.1G205 I223G200-G205 VanDerWaalsContact O-CA 3.32Å; G200-G205 WeakPolarHBondContact O-CA 3.27Å; G200-I223 WeakPolarHBondContact CA-O 3.44Å; G200-I223 PolarHBondContact N-O 3.48Å
201L97.4Very high98.4Very high0 Ų017.5 Ų17.50%012%0.123CC..  trans-107.837.6-175.4-58.6173.9000112.1L206 V209 A222 D224 K229 F230 A233L201-L206 HydrophobicContact CB-CD2 4.16Å; L201-L206 HydrophobicContact CB-CG 4.38Å; L201-L206 HydrophobicContact CD2-CD2 4.29Å; L201-L206 WeakPolarHBondContact O-CD1 3.47Å; L201-L206 WeakPolarHBondContact O-CG 3.42Å; L201-V209 HydrophobicContact CD2-CG2 4.36Å; L201-A222 HydrophobicContact CD1-CB 3.9Å; L201-A222 HydrophobicContact CD2-CB 3.66Å; L201-A222 HydrophobicContact CG-CB 4.38Å; L201-D224 HydrophobicContact CB-CB 4Å; L201-D224 HydrophobicContact CD1-CB 3.7Å; L201-D224 HydrophobicContact CG-CB 3.79Å; L201-D224 PolarHBondContact N-OD2 3.39Å; L201-K229 HydrophobicContact CB-CB 3.94Å; L201-K229 HydrophobicContact CB-CD 3.95Å; L201-K229 HydrophobicContact CD1-CB 4.34Å; L201-K229 WeakPolarHBondContact O-CD 3.36Å; L201-F230 HydrophobicContact CD1-CD1 3.65Å; L201-F230 HydrophobicContact CD1-CE1 3.86Å; L201-A233 HydrophobicContact CD1-CB 4.04Å; L201-A233 HydrophobicContact CD2-CB 4.28Å
202G95.6Very high98.4Very high27 Ų2711.3 Ų11.328%0.2789%0.094SC..SBendtrans-70.4-177.415900000111.2V204 G205 L206G202-V204 PolarHBondContact O-N 3.45Å; G202-V204 VanDerWaalsContact O-N 3.15Å; G202-G205 PolarHBondContact O-N 3.38Å; G202-G205 VanDerWaalsContact O-N 3.13Å; G202-L206 WeakPolarHBondContact O-CB 3.22Å; G202-L206 WeakPolarHBondContact O-CG 3.47Å; G202-L206 PolarHBondContact O-N 3.07Å
203A97Very high98.4Very high2 Ų212.7 Ų12.72%0.0178%0.084CC..Hα-helixtrans-57-34.3-177.200000114.3A176 A207 F345 I368 R369A176-A203 HydrophobicContact CB-CB 3.67Å; A203-A207 VanDerWaalsContact O-CB 3.27Å; A203-A207 WeakPolarHBondContact O-CB 3.45Å; A203-A207 PolarHBondContact O-N 3.33Å; A203-F345 HydrophobicContact CB-CD1 4.02Å; A203-F345 VanDerWaalsContact O-CE1 3.31Å; A203-F345 WeakPolarHBondContact O-CE1 3.44Å; A203-I368 HydrophobicContact CB-CG2 4.2Å; A203-R369 HydrophobicContact CB-CG 3.83Å
204V98.4Very high98.4Very high27 Ų2713.2 Ų13.216%0.1648%0.084CC..Hα-helixtrans-66.1-50.2176.1178.50000110.8A176 T179 G180 G202 A207 A208 C269 A293A176-V204 HydrophobicContact CB-CG2 3.98Å; T179-V204 HydrophobicContact CG2-CG1 3.94Å; T179-V204 HydrophobicContact CG2-CG2 4.47Å; G180-V204 VanDerWaalsContact CA-O 3.24Å; G180-V204 WeakPolarHBondContact CA-O 3.49Å; G202-V204 PolarHBondContact O-N 3.45Å; G202-V204 VanDerWaalsContact O-N 3.15Å; V204-A207 PolarHBondContact O-N 2.91Å; V204-A208 PolarHBondContact O-N 2.97Å; V204-C269 HydrophobicContact CB-CB 4.34Å; V204-C269 HydrophobicContact CG1-CB 4.1Å; V204-A293 HydrophobicContact CG1-CB 4.09Å
205G98.6Very high98.4Very high0 Ų014 Ų140%09%0.091CC..Hα-helixtrans-67-40.5-179.900000113.2V198 G200 G202 A207 A208 V209V198-G205 WeakPolarHBondContact CG1-O 3.34Å; G200-G205 VanDerWaalsContact O-CA 3.32Å; G200-G205 WeakPolarHBondContact O-CA 3.27Å; G202-G205 PolarHBondContact O-N 3.38Å; G202-G205 VanDerWaalsContact O-N 3.13Å; G205-A207 PolarHBondContact O-N 2.88Å; G205-A208 CarbonylContact O-C 3.47Å; G205-A208 WeakPolarHBondContact O-CA 3.49Å; G205-A208 WeakPolarHBondContact O-CB 3.34Å; G205-A208 PolarHBondContact O-N 2.99Å; G205-V209 WeakPolarHBondContact O-CG2 3.3Å; G205-V209 PolarHBondContact O-N 3.15Å
206L98.6Very high98.4Very high0 Ų015 Ų150%010%0.103CC..Hα-helixtrans-60.7-35.7173.4-70.7175.2000112L201 G202 V209 M210 K232 A233 L236 F345 I368L201-L206 HydrophobicContact CB-CD2 4.16Å; L201-L206 HydrophobicContact CB-CG 4.38Å; L201-L206 HydrophobicContact CD2-CD2 4.29Å; L201-L206 WeakPolarHBondContact O-CD1 3.47Å; L201-L206 WeakPolarHBondContact O-CG 3.42Å; G202-L206 WeakPolarHBondContact O-CB 3.22Å; G202-L206 WeakPolarHBondContact O-CG 3.47Å; G202-L206 PolarHBondContact O-N 3.07Å; L206-V209 PolarHBondContact O-N 3.12Å; L206-M210 PolarHBondContact O-N 3.4Å; L206-M210 VanDerWaalsContact O-N 3.12Å; L206-K232 HydrophobicContact CD1-CG 4.07Å; L206-K232 HydrophobicContact CD2-CG 4.49Å; L206-A233 HydrophobicContact CD2-CB 3.8Å; L206-L236 HydrophobicContact CB-CD1 3.68Å; L206-L236 HydrophobicContact CD1-CD1 4.44Å; L206-L236 HydrophobicContact CD2-CD1 4.11Å; L206-L236 HydrophobicContact CG-CD1 4.28Å; L206-F345 HydrophobicContact CB-CD1 4.28Å; L206-F345 HydrophobicContact CB-CE1 3.51Å; L206-F345 HydrophobicContact CB-CZ 4.09Å; L206-I368 HydrophobicContact CD1-CD1 3.69Å; L206-I368 HydrophobicContact CD1-CG1 4.1Å; L206-I368 HydrophobicContact CD1-CG2 3.76Å
207A98.8Very high98.4Very high0 Ų015.7 Ų15.70%011%0.109CC..Hα-helixtrans-71.8-32.2172.500000112.7Y181 A203 V204 G205 M210 G211 F345Y181-A207 WeakPolarHBondContact CA-O 3.27Å; Y181-A207 PolarHBondContact N-O 3.39Å; A203-A207 VanDerWaalsContact O-CB 3.27Å; A203-A207 WeakPolarHBondContact O-CB 3.45Å; A203-A207 PolarHBondContact O-N 3.33Å; V204-A207 PolarHBondContact O-N 2.91Å; G205-A207 PolarHBondContact O-N 2.88Å; A207-M210 PolarHBondContact O-N 3.21Å; A207-G211 PolarHBondContact O-N 3.48Å; A207-F345 HydrophobicContact CB-CE1 4.05Å; A207-F345 HydrophobicContact CB-CZ 4.06Å
208A98.9Very high98.4Very high0 Ų019.4 Ų19.40%014%0.135CC..Hα-helixtrans-66.3-40.4171.800000111.9G180 V198 V204 G205 M210 G211 C212 F267G180-A208 VanDerWaalsContact O-CA 3.3Å; G180-A208 WeakPolarHBondContact O-CA 3.39Å; V198-A208 HydrophobicContact CG1-CB 4.19Å; V198-A208 HydrophobicContact CG2-CB 4.38Å; V204-A208 PolarHBondContact O-N 2.97Å; G205-A208 CarbonylContact O-C 3.47Å; G205-A208 WeakPolarHBondContact O-CA 3.49Å; G205-A208 WeakPolarHBondContact O-CB 3.34Å; G205-A208 PolarHBondContact O-N 2.99Å; A208-M210 VanDerWaalsContact C-N 3.34Å; A208-M210 PolarHBondContact O-N 3.04Å; A208-G211 PolarHBondContact O-N 2.91Å; A208-C212 PolarHBondContact O-N 3.15Å; A208-C212 PolarHBondContact O-SG 3.32Å; A208-F267 HydrophobicContact CB-CB 4.41Å; A208-F267 HydrophobicContact CB-CG 4.39Å
209V98.9Very high98.4Very high0 Ų022.6 Ų22.60%015%0.147CC..Hα-helixtrans-55.9-50170.9168.10000110.4V198 L201 G205 L206 G211 C212 K213 I220 A222 L236 A238V198-V209 HydrophobicContact CB-CG2 4.03Å; V198-V209 HydrophobicContact CG1-CG2 4.2Å; V198-V209 HydrophobicContact CG2-CG2 3.87Å; L201-V209 HydrophobicContact CD2-CG2 4.36Å; G205-V209 WeakPolarHBondContact O-CG2 3.3Å; G205-V209 PolarHBondContact O-N 3.15Å; L206-V209 PolarHBondContact O-N 3.12Å; V209-G211 VanDerWaalsContact C-N 3.32Å; V209-G211 PolarHBondContact O-N 3.13Å; V209-C212 PolarHBondContact O-N 3.2Å; V209-K213 PolarHBondContact O-N 3.13Å; V209-I220 HydrophobicContact CB-CG2 4.38Å; V209-I220 HydrophobicContact CG1-CG2 4.08Å; V209-I220 HydrophobicContact CG2-CG2 4.14Å; V209-A222 HydrophobicContact CG2-CB 4.46Å; V209-L236 HydrophobicContact CG1-CB 4.31Å; V209-A238 HydrophobicContact CG1-CB 4.14Å; V209-A238 VanDerWaalsContact CG1-N 3.32Å
210M98.7Very high98.4Very high13 Ų1322.6 Ų22.66%0.06415%0.147CC..Hα-helixtrans-60.2-41.3176.5-179.817554.700112.1I177 Y181 L206 A207 A208 K213 A214 L236 L340 M341 F345I177-M210 HydrophobicContact CG2-CE 4.15Å; Y181-M210 HydrophobicContact CD2-CE 4.04Å; Y181-M210 HydrophobicContact CD2-CG 4.16Å; Y181-M210 HydrophobicContact CE2-CG 4.32Å; L206-M210 PolarHBondContact O-N 3.4Å; L206-M210 VanDerWaalsContact O-N 3.12Å; A207-M210 PolarHBondContact O-N 3.21Å; A208-M210 VanDerWaalsContact C-N 3.34Å; A208-M210 PolarHBondContact O-N 3.04Å; M210-K213 PolarHBondContact O-N 3.35Å; M210-A214 WeakPolarHBondContact O-CB 3.32Å; M210-A214 PolarHBondContact O-N 3.12Å; M210-L236 HydrophobicContact SD-CD2 4.5Å; M210-L340 HydrophobicContact CE-CD1 3.39Å; M210-L340 HydrophobicContact CE-CG 4.18Å; M210-L340 HydrophobicContact SD-CD1 3.8Å; M210-L340 HydrophobicContact SD-CG 4.45Å; M210-M341 HydrophobicContact SD-CB 3.81Å; M210-F345 HydrophobicContact CE-CE2 4.12Å; M210-F345 HydrophobicContact CE-CZ 4.11Å
211G98.8Very high98.4Very high0 Ų022.4 Ų22.40%015%0.145CC..Hα-helixtrans-64.5-40.6175.800000113.3A207 A208 V209 A214 A215A207-G211 PolarHBondContact O-N 3.48Å; A208-G211 PolarHBondContact O-N 2.91Å; V209-G211 VanDerWaalsContact C-N 3.32Å; V209-G211 PolarHBondContact O-N 3.13Å; G211-A214 PolarHBondContact O-N 3.44Å; G211-A215 WeakPolarHBondContact O-CB 3.37Å; G211-A215 PolarHBondContact O-N 2.95Å
212C98.9Very high98.5Very high0 Ų022.4 Ų22.40%015%0.145CC..Hα-helixtrans-63-43.5175-64.50000111.1C196 A208 V209 A215 G216 A217 I220 F267C196-C212 HydrophobicContact CB-CB 4.22Å; A208-C212 PolarHBondContact O-N 3.15Å; A208-C212 PolarHBondContact O-SG 3.32Å; V209-C212 PolarHBondContact O-N 3.2Å; C212-A215 PolarHBondContact O-N 3.45Å; C212-G216 PolarHBondContact O-N 2.89Å; C212-A217 HydrophobicContact CB-CB 4.15Å; C212-A217 WeakPolarHBondContact O-CB 3.42Å; C212-A217 PolarHBondContact O-N 3.2Å; C212-I220 HydrophobicContact CB-CD1 3.8Å; C212-I220 HydrophobicContact CB-CG1 3.94Å; C212-I220 HydrophobicContact CB-CG2 4.4Å; C212-F267 WeakPolarHBondContact SG-CE2 3.24Å
213K98.8Very high98.6Very high115 Ų11521.3 Ų21.350%0.513%0.133SC..Hα-helixtrans-62.5-45.1175.4176.5171.5175.2-176.30111.5V209 M210 A215 G216 I220 G237V209-K213 PolarHBondContact O-N 3.13Å; M210-K213 PolarHBondContact O-N 3.35Å; K213-A215 PolarHBondContact O-N 3.45Å; K213-G216 PolarHBondContact O-N 3.04Å; K213-I220 HydrophobicContact CB-CD1 3.84Å; K213-G237 VanDerWaalsContact CD-CA 3.48Å
214A98.5Very high98.7Very high60 Ų6022 Ų2250%0.49614%0.136SC..Hα-helixtrans-62.7-31.4177.700000112.7Y181 M210 G211 G216Y181-A214 HydrophobicContact CE2-CB 3.75Å; Y181-A214 WeakPolarHBondContact OH-CB 3.11Å; M210-A214 WeakPolarHBondContact O-CB 3.32Å; M210-A214 PolarHBondContact O-N 3.12Å; G211-A214 PolarHBondContact O-N 3.44Å; A214-G216 VanDerWaalsContact C-N 3.27Å; A214-G216 PolarHBondContact O-N 3.48Å
215A98.6Very high98.6Very high26 Ų2626 Ų2622%0.21516%0.155CC..THydrogen-bonded Turntrans-77.1-9.2174.200000114.1V190 G211 C212 K213V190-A215 HydrophobicContact CB-CB 3.69Å; V190-A215 HydrophobicContact CG1-CB 3.79Å; G211-A215 WeakPolarHBondContact O-CB 3.37Å; G211-A215 PolarHBondContact O-N 2.95Å; C212-A215 PolarHBondContact O-N 3.45Å; K213-A215 PolarHBondContact O-N 3.45Å
216G98.6Very high98.5Very high36 Ų3627.5 Ų27.537%0.37116%0.164SC..THydrogen-bonded Turntrans86.723.4178.500000114.7A192 G193 C212 K213 A214 S218A192-G216 CarbonylContact C-O 3.46Å; A192-G216 WeakPolarHBondContact CA-O 3.4Å; G193-G216 PolarHBondContact N-O 3.38Å; C212-G216 PolarHBondContact O-N 2.89Å; K213-G216 PolarHBondContact O-N 3.04Å; A214-G216 VanDerWaalsContact C-N 3.27Å; A214-G216 PolarHBondContact O-N 3.48Å; G216-S218 PolarHBondContact O-N 3.4Å
217A98.8Very high98.3Very high15 Ų1530.6 Ų30.612%0.12418%0.184CC..  trans-55.3135.517200000110.8V190 S194 C212 I220V190-A217 HydrophobicContact CG1-CB 4.06Å; S194-A217 CarbonylContact O-C 3.55Å; S194-A217 VanDerWaalsContact O-CA 3.31Å; S194-A217 WeakPolarHBondContact O-CA 3.43Å; S194-A217 WeakPolarHBondContact O-CB 3.4Å; C212-A217 HydrophobicContact CB-CB 4.15Å; C212-A217 WeakPolarHBondContact O-CB 3.42Å; C212-A217 PolarHBondContact O-N 3.2Å; A217-I220 HydrophobicContact CB-CD1 4.13Å; A217-I220 HydrophobicContact CB-CG1 3.82Å
218S98.2Very high98.1Very high78 Ų7837.1 Ų37.155%0.54522%0.219SC..SBendtrans-80.3-29.2-178.9630000112.5G193 S194 G216G193-S218 WeakPolarHBondContact O-CB 3.41Å; G193-S218 PolarHBondContact O-OG 3Å; S194-S218 PolarHBondContact O-N 2.94Å; S194-S218 PolarHBondContact O-OG 3.26Å; G216-S218 PolarHBondContact O-N 3.4Å
219R98.7Very high97.9Very high68 Ų6838.9 Ų38.926%0.25723%0.226SC..EExtended strand (participates in β ladder)trans-139.4127.2-179.1-164.2178-174.1-177.1-0.6110.4S195 C196 I221 T239 D240 M258S195-R219 CarbonylContact C-O 3.58Å; S195-R219 WeakPolarHBondContact CA-O 3.42Å; C196-R219 PolarHBondContact N-O 2.83Å; R219-I221 HydrophobicContact CG-CG1 4.32Å; R219-T239 WeakPolarHBondContact CG-OG1 3.39Å; R219-D240 VanDerWaalsContact CG-OD2 3.24Å; R219-D240 WeakPolarHBondContact CG-OD2 3.34Å; R219-D240 IonicContact CZ-OD1 2.81Å; R219-D240 IonicContact CZ-OD2 3.92Å; R219-D240 IonicContact NE-OD1 3.75Å; R219-D240 PolarHBondContact NE-OD1 2.96Å; R219-D240 IonicContact NE-OD2 3.49Å; R219-D240 PolarHBondContact NE-OD2 3.25Å; R219-D240 IonicContact NH2-OD1 3.32Å; R219-D240 PolarHBondContact NH2-OD1 2.68Å; R219-D240 IonicContact NH2-OD2 2.96Å; R219-M258 PolarHBondContact NH1-O 3.42Å
220I98.9Very high97.8Very high3 Ų339.9 Ų39.92%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-129.6103.6-177.8-56.4165000107.9C196 V209 C212 K213 A217 G237 A238 T239 D240C196-I220 HydrophobicContact CB-CG1 4.5Å; C196-I220 WeakPolarHBondContact O-CA 3.14Å; V209-I220 HydrophobicContact CB-CG2 4.38Å; V209-I220 HydrophobicContact CG1-CG2 4.08Å; V209-I220 HydrophobicContact CG2-CG2 4.14Å; C212-I220 HydrophobicContact CB-CD1 3.8Å; C212-I220 HydrophobicContact CB-CG1 3.94Å; C212-I220 HydrophobicContact CB-CG2 4.4Å; K213-I220 HydrophobicContact CB-CD1 3.84Å; A217-I220 HydrophobicContact CB-CD1 4.13Å; A217-I220 HydrophobicContact CB-CG1 3.82Å; I220-G237 WeakPolarHBondContact CD1-O 3.16Å; I220-A238 CarbonylContact O-C 3.48Å; I220-A238 WeakPolarHBondContact O-CA 3.44Å; I220-T239 PolarHBondContact N-OG1 3.38Å; I220-T239 PolarHBondContact O-N 3.46Å; I220-T239 PolarHBondContact O-OG1 3.13Å; I220-D240 PolarHBondContact O-N 3.12Å
221I98.9Very high97.7Very high0 Ų045.1 Ų45.10%026%0.255CS..EExtended strand (participates in β ladder)trans-92112.6-178.6-50.3169.6000108.2C196 A197 V198 R219 I223 D240 V242 L255 M258 T259 V263C196-I221 PolarHBondContact O-N 3.19Å; A197-I221 CarbonylContact C-O 3.53Å; A197-I221 WeakPolarHBondContact CA-O 3.37Å; V198-I221 PolarHBondContact N-O 2.87Å; R219-I221 HydrophobicContact CG-CG1 4.32Å; I221-I223 HydrophobicContact CB-CD1 4.48Å; I221-I223 HydrophobicContact CG2-CD1 4.1Å; I221-I223 HydrophobicContact CG2-CG1 4.22Å; I221-I223 VanDerWaalsContact O-CD1 3.29Å; I221-I223 WeakPolarHBondContact O-CD1 3.31Å; I221-D240 HydrophobicContact CB-CB 4.37Å; I221-D240 HydrophobicContact CG1-CB 4.09Å; I221-D240 HydrophobicContact CG2-CB 4.18Å; I221-V242 HydrophobicContact CG2-CG2 3.76Å; I221-L255 HydrophobicContact CB-CD2 4.32Å; I221-L255 HydrophobicContact CD1-CD2 3.85Å; I221-L255 HydrophobicContact CG2-CD2 3.7Å; I221-M258 HydrophobicContact CD1-CE 4.31Å; I221-M258 HydrophobicContact CG2-CE 4.4Å; I221-T259 HydrophobicContact CD1-CG2 3.84Å; I221-V263 HydrophobicContact CD1-CG1 4.21Å
222A98.9Very high97.6Very high0 Ų048 Ų480%027%0.267CS..EExtended strand (participates in β ladder)trans-95.8122.3179.500000110.5L201 V209 A233 A238 D240 V241 V242L201-A222 HydrophobicContact CD1-CB 3.9Å; L201-A222 HydrophobicContact CD2-CB 3.66Å; L201-A222 HydrophobicContact CG-CB 4.38Å; V209-A222 HydrophobicContact CG2-CB 4.46Å; A222-A233 HydrophobicContact CB-CB 3.9Å; A222-A238 HydrophobicContact CB-CB 3.6Å; A222-D240 PolarHBondContact N-O 3.47Å; A222-V241 HydrophobicContact CB-CG1 4.23Å; A222-V241 CarbonylContact O-C 3.59Å; A222-V241 VanDerWaalsContact O-CA 3.3Å; A222-V241 WeakPolarHBondContact O-CA 3.04Å; A222-V242 PolarHBondContact O-N 3.4Å
223I98.9Very high97.6Very high5 Ų548 Ų483%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-117.6122-173.4-54.9103.6000110.5A197 V198 F199 G200 I221 V242 P244 I251 L255A197-I223 HydrophobicContact CB-CD1 3.83Å; V198-I223 WeakPolarHBondContact O-CD1 3.28Å; V198-I223 PolarHBondContact O-N 2.92Å; F199-I223 HydrophobicContact CD1-CB 4.3Å; F199-I223 HydrophobicContact CD1-CD1 4.41Å; F199-I223 HydrophobicContact CD1-CG2 4.2Å; F199-I223 HydrophobicContact CD2-CD1 4.35Å; F199-I223 HydrophobicContact CE1-CD1 4.4Å; F199-I223 HydrophobicContact CE2-CD1 4.31Å; F199-I223 HydrophobicContact CG-CD1 4.41Å; F199-I223 HydrophobicContact CZ-CD1 4.36Å; G200-I223 WeakPolarHBondContact CA-O 3.44Å; G200-I223 PolarHBondContact N-O 3.48Å; I221-I223 HydrophobicContact CB-CD1 4.48Å; I221-I223 HydrophobicContact CG2-CD1 4.1Å; I221-I223 HydrophobicContact CG2-CG1 4.22Å; I221-I223 VanDerWaalsContact O-CD1 3.29Å; I221-I223 WeakPolarHBondContact O-CD1 3.31Å; I223-V242 WeakPolarHBondContact CA-O 3.42Å; I223-V242 HydrophobicContact CG1-CB 4.2Å; I223-P244 HydrophobicContact CG2-CG 3.6Å; I223-I251 HydrophobicContact CG2-CD1 4.2Å; I223-I251 HydrophobicContact CG2-CG1 4.18Å; I223-L255 HydrophobicContact CD1-CD1 4.21Å; I223-L255 HydrophobicContact CD1-CD2 4.39Å
224D98.4Very high97.5Very high15 Ų1547 Ų478%0.0826%0.263CS..  trans-153153.8171.2-156.6-70.1000109.9L201 N226 K229 F230 V242 N243L201-D224 HydrophobicContact CB-CB 4Å; L201-D224 HydrophobicContact CD1-CB 3.7Å; L201-D224 HydrophobicContact CG-CB 3.79Å; L201-D224 PolarHBondContact N-OD2 3.39Å; D224-N226 VanDerWaalsContact C-N 3.3Å; D224-N226 WeakPolarHBondContact OD1-CB 3.49Å; D224-N226 PolarHBondContact OD1-N 2.89Å; D224-K229 HydrophobicContact CB-CD 4.45Å; D224-K229 IonicContact OD1-NZ 3.88Å; D224-K229 PolarHBondContact OD1-NZ 3.27Å; D224-K229 VanDerWaalsContact OD1-NZ 3.16Å; D224-K229 WeakPolarHBondContact OD2-CD 3.43Å; D224-K229 IonicContact OD2-NZ 3.88Å; D224-K229 PolarHBondContact OD2-NZ 3.12Å; D224-F230 HydrophobicContact CB-CE1 4.01Å; D224-F230 WeakPolarHBondContact O-CZ 3.29Å; D224-V242 PolarHBondContact N-O 3.32Å; D224-N243 WeakPolarHBondContact O-CA 3.41Å
225I97.1Very high97.5Very high111 Ų11148 Ų4857%0.56926%0.263SS*.SBendtrans-79.6-17174.759.9172.2000112.5P227I225-P227 WeakPolarHBondContact O-CD 3.24Å
226N95.3Very high97.5Very high33 Ų3346.9 Ų46.918%0.17625%0.253CS..  trans-99105.7175.7-177.1-3.9000110.1D224 D228 K229 G365D224-N226 VanDerWaalsContact C-N 3.3Å; D224-N226 WeakPolarHBondContact OD1-CB 3.49Å; D224-N226 PolarHBondContact OD1-N 2.89Å; N226-D228 PolarHBondContact O-N 3.35Å; N226-D228 VanDerWaalsContact OD1-CB 3.27Å; N226-D228 WeakPolarHBondContact OD1-CB 3.35Å; N226-D228 PolarHBondContact OD1-N 2.96Å; N226-K229 HydrophobicContact CB-CD 4.22Å; N226-K229 PolarHBondContact O-N 3.35Å; N226-G365 PolarHBondContact ND2-O 2.77Å
227P95.6Very high97.5Very high65 Ų6545.6 Ų45.642%0.42224%0.24SC..G310 helixtrans-67.3-19.2-178.229.1-35.8000113.6I225 K229 F230I225-P227 WeakPolarHBondContact O-CD 3.24Å; P227-K229 PolarHBondContact O-N 2.94Å; P227-F230 HydrophobicContact CB-CD2 3.93Å; P227-F230 HydrophobicContact CB-CE2 3.83Å; P227-F230 HydrophobicContact CB-CZ 4.47Å; P227-F230 VanDerWaalsContact O-CB 3.29Å; P227-F230 WeakPolarHBondContact O-CB 3.43Å; P227-F230 WeakPolarHBondContact O-CG 3.04Å; P227-F230 PolarHBondContact O-N 2.76Å
228D93.7Very high97.5Very high137 Ų13745.3 Ų45.373%0.73324%0.238SC*.G310 helixtrans-60.8-19.2179.4-63.5-16.3000112.6N226N226-D228 PolarHBondContact O-N 3.35Å; N226-D228 VanDerWaalsContact OD1-CB 3.27Å; N226-D228 WeakPolarHBondContact OD1-CB 3.35Å; N226-D228 PolarHBondContact OD1-N 2.96Å
229K94.4Very high97.5Very high37 Ų3745.2 Ų45.216%0.16123%0.234CC..G310 helixtrans-85.1-13.8179.6-61.2171.1-178.5169.50113.5L201 D224 N226 P227 E231 K232 A233L201-K229 HydrophobicContact CB-CB 3.94Å; L201-K229 HydrophobicContact CB-CD 3.95Å; L201-K229 HydrophobicContact CD1-CB 4.34Å; L201-K229 WeakPolarHBondContact O-CD 3.36Å; D224-K229 HydrophobicContact CB-CD 4.45Å; D224-K229 IonicContact OD1-NZ 3.88Å; D224-K229 PolarHBondContact OD1-NZ 3.27Å; D224-K229 VanDerWaalsContact OD1-NZ 3.16Å; D224-K229 WeakPolarHBondContact OD2-CD 3.43Å; D224-K229 IonicContact OD2-NZ 3.88Å; D224-K229 PolarHBondContact OD2-NZ 3.12Å; N226-K229 HydrophobicContact CB-CD 4.22Å; N226-K229 PolarHBondContact O-N 3.35Å; P227-K229 PolarHBondContact O-N 2.94Å; K229-E231 PolarHBondContact O-N 2.95Å; K229-K232 PolarHBondContact O-N 3.49Å; K229-A233 PolarHBondContact O-N 2.9Å
230F97.6Very high97.5Very high21 Ų2144 Ų449%0.09223%0.233CC..Hα-helixtrans-66.7-40.2-171.3-69.5-10.2000113.2L201 D224 P227 K232 A233 K234 V241 N243L201-F230 HydrophobicContact CD1-CD1 3.65Å; L201-F230 HydrophobicContact CD1-CE1 3.86Å; D224-F230 HydrophobicContact CB-CE1 4.01Å; D224-F230 WeakPolarHBondContact O-CZ 3.29Å; P227-F230 HydrophobicContact CB-CD2 3.93Å; P227-F230 HydrophobicContact CB-CE2 3.83Å; P227-F230 HydrophobicContact CB-CZ 4.47Å; P227-F230 VanDerWaalsContact O-CB 3.29Å; P227-F230 WeakPolarHBondContact O-CB 3.43Å; P227-F230 WeakPolarHBondContact O-CG 3.04Å; P227-F230 PolarHBondContact O-N 2.76Å; F230-K232 VanDerWaalsContact C-N 3.3Å; F230-K232 PolarHBondContact O-N 3.27Å; F230-A233 WeakPolarHBondContact O-CB 3.36Å; F230-A233 PolarHBondContact O-N 2.82Å; F230-A233 VanDerWaalsContact O-N 3.15Å; F230-K234 WeakPolarHBondContact O-CG 3.11Å; F230-K234 PolarHBondContact O-N 3.07Å; F230-V241 HydrophobicContact CB-CB 4.03Å; F230-V241 HydrophobicContact CB-CG1 3.84Å; F230-V241 HydrophobicContact CB-CG2 4.09Å; F230-V241 HydrophobicContact CD1-CB 3.96Å; F230-V241 HydrophobicContact CD1-CG1 4.18Å; F230-V241 HydrophobicContact CD2-CB 3.82Å; F230-V241 HydrophobicContact CD2-CG2 3.71Å; F230-V241 HydrophobicContact CE1-CB 4.36Å; F230-V241 HydrophobicContact CE2-CB 4.24Å; F230-V241 HydrophobicContact CE2-CG2 4.29Å; F230-V241 HydrophobicContact CG-CB 3.67Å; F230-V241 HydrophobicContact CG-CG1 3.96Å; F230-V241 HydrophobicContact CG-CG2 3.94Å; F230-V241 HydrophobicContact CZ-CB 4.5Å; F230-N243 HydrophobicContact CE2-CB 4.12Å; F230-N243 HydrophobicContact CZ-CB 3.9Å
231E96.4Very high97.5Very high122 Ų12246 Ų4657%0.5725%0.245SC*.Hα-helixtrans-63-39.5177.9-68.7-52.112300111.7K229 K234 V235K229-E231 PolarHBondContact O-N 2.95Å; E231-K234 PolarHBondContact O-N 2.83Å; E231-K234 IonicContact OE1-NZ 3.46Å; E231-K234 PolarHBondContact OE1-NZ 3.27Å; E231-V235 WeakPolarHBondContact O-CG2 3.22Å; E231-V235 PolarHBondContact O-N 2.98Å; E231-V235 VanDerWaalsContact O-N 3.15Å
232K96Very high97.5Very high60 Ų6046.4 Ų46.426%0.26125%0.248SC..Hα-helixtrans-65.7-40.4174.3-170.369.161.7160.50112L206 K229 F230 K234 V235 L236 E344 I368L206-K232 HydrophobicContact CD1-CG 4.07Å; L206-K232 HydrophobicContact CD2-CG 4.49Å; K229-K232 PolarHBondContact O-N 3.49Å; F230-K232 VanDerWaalsContact C-N 3.3Å; F230-K232 PolarHBondContact O-N 3.27Å; K232-K234 VanDerWaalsContact C-N 3.32Å; K232-K234 PolarHBondContact O-N 3.01Å; K232-V235 PolarHBondContact O-N 3.35Å; K232-L236 HydrophobicContact CG-CD1 4.24Å; K232-L236 PolarHBondContact O-N 2.9Å; K232-L236 VanDerWaalsContact O-N 3.12Å; K232-E344 HydrophobicContact CD-CB 4.09Å; K232-E344 WeakPolarHBondContact CD-O 3.17Å; K232-E344 VanDerWaalsContact CE-O 3.29Å; K232-E344 WeakPolarHBondContact CE-O 3.33Å; K232-E344 PolarHBondContact NZ-O 3.32Å; K232-I368 HydrophobicContact CB-CD1 4.19Å; K232-I368 HydrophobicContact CD-CD1 4.49Å; K232-I368 HydrophobicContact CG-CD1 3.76Å
233A98.3Very high97.5Very high0 Ų047.1 Ų47.10%025%0.251CS..Hα-helixtrans-60.6-4217700000111.8L201 L206 A222 K229 F230 L236 G237 A238L201-A233 HydrophobicContact CD1-CB 4.04Å; L201-A233 HydrophobicContact CD2-CB 4.28Å; L206-A233 HydrophobicContact CD2-CB 3.8Å; A222-A233 HydrophobicContact CB-CB 3.9Å; K229-A233 PolarHBondContact O-N 2.9Å; F230-A233 WeakPolarHBondContact O-CB 3.36Å; F230-A233 PolarHBondContact O-N 2.82Å; F230-A233 VanDerWaalsContact O-N 3.15Å; A233-L236 PolarHBondContact O-N 3.04Å; A233-G237 PolarHBondContact O-N 3.37Å; A233-A238 HydrophobicContact CB-CB 3.91Å; A233-A238 WeakPolarHBondContact O-CB 3.41Å; A233-A238 PolarHBondContact O-N 3.24Å
234K98.6Very high97.4Very high96 Ų9648.6 Ų48.642%0.41726%0.261SS..Hα-helixtrans-61.2-45.7175.4-68.8172.6-173.2167.30112.2F230 E231 K232 L236 G237 V241F230-K234 WeakPolarHBondContact O-CG 3.11Å; F230-K234 PolarHBondContact O-N 3.07Å; E231-K234 PolarHBondContact O-N 2.83Å; E231-K234 IonicContact OE1-NZ 3.46Å; E231-K234 PolarHBondContact OE1-NZ 3.27Å; K232-K234 VanDerWaalsContact C-N 3.32Å; K232-K234 PolarHBondContact O-N 3.01Å; K234-L236 PolarHBondContact O-N 3.24Å; K234-G237 PolarHBondContact O-N 3.34Å; K234-G237 VanDerWaalsContact O-N 3.1Å; K234-V241 HydrophobicContact CG-CG1 4.28Å
235V97.9Very high97.3Very high80 Ų8053.4 Ų53.449%0.48529%0.287SS..Hα-helixtrans-54.5-42.5175.3169.60000111.1E231 K232 M341E231-V235 WeakPolarHBondContact O-CG2 3.22Å; E231-V235 PolarHBondContact O-N 2.98Å; E231-V235 VanDerWaalsContact O-N 3.15Å; K232-V235 PolarHBondContact O-N 3.35Å; V235-M341 HydrophobicContact CG1-CE 3.83Å
236L98.3Very high97.4Very high2 Ų253.8 Ų53.81%0.0129%0.29CS..Hα-helixtrans-80.9-13.8-178.4-68.3172000114.2L206 V209 M210 K232 A233 K234 M341 E344 F345L206-L236 HydrophobicContact CB-CD1 3.68Å; L206-L236 HydrophobicContact CD1-CD1 4.44Å; L206-L236 HydrophobicContact CD2-CD1 4.11Å; L206-L236 HydrophobicContact CG-CD1 4.28Å; V209-L236 HydrophobicContact CG1-CB 4.31Å; M210-L236 HydrophobicContact SD-CD2 4.5Å; K232-L236 HydrophobicContact CG-CD1 4.24Å; K232-L236 PolarHBondContact O-N 2.9Å; K232-L236 VanDerWaalsContact O-N 3.12Å; A233-L236 PolarHBondContact O-N 3.04Å; K234-L236 PolarHBondContact O-N 3.24Å; L236-M341 HydrophobicContact CD2-CB 3.85Å; L236-M341 HydrophobicContact CD2-CE 4.16Å; L236-M341 HydrophobicContact CD2-SD 4.03Å; L236-E344 HydrophobicContact CD2-CB 4.45Å; L236-F345 HydrophobicContact CD1-CE1 4.23Å; L236-F345 HydrophobicContact CD1-CE2 3.97Å; L236-F345 HydrophobicContact CD1-CZ 3.69Å; L236-F345 HydrophobicContact CD2-CE2 3.97Å; L236-F345 HydrophobicContact CD2-CZ 4.34Å
237G98.4Very high97.4Very high10 Ų1056.1 Ų56.110%0.10330%0.3CS..THydrogen-bonded Turntrans136.7-0.3170.400000117.6K213 I220 A233 K234 T239K213-G237 VanDerWaalsContact CD-CA 3.48Å; I220-G237 WeakPolarHBondContact CD1-O 3.16Å; A233-G237 PolarHBondContact O-N 3.37Å; K234-G237 PolarHBondContact O-N 3.34Å; K234-G237 VanDerWaalsContact O-N 3.1Å; G237-T239 PolarHBondContact O-N 2.92Å
238A98.8Very high97.2Very high9 Ų959.1 Ų59.17%0.07432%0.322CS..  trans-62132.1176.800000110.7V209 I220 A222 A233V209-A238 HydrophobicContact CG1-CB 4.14Å; V209-A238 VanDerWaalsContact CG1-N 3.32Å; I220-A238 CarbonylContact O-C 3.48Å; I220-A238 WeakPolarHBondContact O-CA 3.44Å; A222-A238 HydrophobicContact CB-CB 3.6Å; A233-A238 HydrophobicContact CB-CB 3.91Å; A233-A238 WeakPolarHBondContact O-CB 3.41Å; A233-A238 PolarHBondContact O-N 3.24Å
239T98.8Very high97.3Very high76 Ų7658.3 Ų58.347%0.46631%0.309SS..SBendtrans-91.4-31175.458.30000111.5R219 I220 G237R219-T239 WeakPolarHBondContact CG-OG1 3.39Å; I220-T239 PolarHBondContact N-OG1 3.38Å; I220-T239 PolarHBondContact O-N 3.46Å; I220-T239 PolarHBondContact O-OG1 3.13Å; G237-T239 PolarHBondContact O-N 2.92Å
240D98.6Very high97.4Very high42 Ų4259.4 Ų59.423%0.22532%0.319CS..EExtended strand (participates in β ladder)trans-131.8150.5-180-53-116.6000108.6R219 I220 I221 A222 M258R219-D240 VanDerWaalsContact CG-OD2 3.24Å; R219-D240 WeakPolarHBondContact CG-OD2 3.34Å; R219-D240 IonicContact CZ-OD1 2.81Å; R219-D240 IonicContact CZ-OD2 3.92Å; R219-D240 IonicContact NE-OD1 3.75Å; R219-D240 PolarHBondContact NE-OD1 2.96Å; R219-D240 IonicContact NE-OD2 3.49Å; R219-D240 PolarHBondContact NE-OD2 3.25Å; R219-D240 IonicContact NH2-OD1 3.32Å; R219-D240 PolarHBondContact NH2-OD1 2.68Å; R219-D240 IonicContact NH2-OD2 2.96Å; I220-D240 PolarHBondContact O-N 3.12Å; I221-D240 HydrophobicContact CB-CB 4.37Å; I221-D240 HydrophobicContact CG1-CB 4.09Å; I221-D240 HydrophobicContact CG2-CB 4.18Å; A222-D240 PolarHBondContact N-O 3.47Å; D240-M258 HydrophobicContact CB-CE 4.48Å
241V98.7Very high97.4Very high45 Ų4559.5 Ų59.527%0.27332%0.321SS..EExtended strand (participates in β ladder)trans-129.7140.1173.4-640000109.3A222 F230 K234A222-V241 HydrophobicContact CB-CG1 4.23Å; A222-V241 CarbonylContact O-C 3.59Å; A222-V241 VanDerWaalsContact O-CA 3.3Å; A222-V241 WeakPolarHBondContact O-CA 3.04Å; F230-V241 HydrophobicContact CB-CB 4.03Å; F230-V241 HydrophobicContact CB-CG1 3.84Å; F230-V241 HydrophobicContact CB-CG2 4.09Å; F230-V241 HydrophobicContact CD1-CB 3.96Å; F230-V241 HydrophobicContact CD1-CG1 4.18Å; F230-V241 HydrophobicContact CD2-CB 3.82Å; F230-V241 HydrophobicContact CD2-CG2 3.71Å; F230-V241 HydrophobicContact CE1-CB 4.36Å; F230-V241 HydrophobicContact CE2-CB 4.24Å; F230-V241 HydrophobicContact CE2-CG2 4.29Å; F230-V241 HydrophobicContact CG-CB 3.67Å; F230-V241 HydrophobicContact CG-CG1 3.96Å; F230-V241 HydrophobicContact CG-CG2 3.94Å; F230-V241 HydrophobicContact CZ-CB 4.5Å; K234-V241 HydrophobicContact CG-CG1 4.28Å
242V98.6Very high97.5Very high9 Ų955 Ų556%0.05530%0.3CS..EExtended strand (participates in β ladder)trans-137.2127.1-176.9178.70000109.8I221 A222 I223 D224 I251 L254 M258I221-V242 HydrophobicContact CG2-CG2 3.76Å; A222-V242 PolarHBondContact O-N 3.4Å; I223-V242 WeakPolarHBondContact CA-O 3.42Å; I223-V242 HydrophobicContact CG1-CB 4.2Å; D224-V242 PolarHBondContact N-O 3.32Å; V242-I251 HydrophobicContact CG1-CD1 3.65Å; V242-L254 HydrophobicContact CG1-CD2 3.86Å; V242-M258 HydrophobicContact CG2-CE 4.05Å; V242-M258 HydrophobicContact CG2-SD 4.14Å
243N98.4Very high97.6Very high14 Ų1456 Ų568%0.07531%0.305CS..  trans-99.2114.9165.9-178.2-5.5000108.9D224 F230 N245 D246 H247D224-N243 WeakPolarHBondContact O-CA 3.41Å; F230-N243 HydrophobicContact CE2-CB 4.12Å; F230-N243 HydrophobicContact CZ-CB 3.9Å; N243-N245 PolarHBondContact O-N 2.92Å; N243-N245 WeakPolarHBondContact OD1-CB 3.35Å; N243-N245 PolarHBondContact OD1-N 3.34Å; N243-D246 WeakPolarHBondContact CB-OD2 3.29Å; N243-D246 PolarHBondContact O-N 2.93Å; N243-H247 PolarHBondContact O-CD2 3.14Å; N243-H247 VanDerWaalsContact O-CD2 3.25Å
244P97.6Very high97.6Very high36 Ų3657.1 Ų57.123%0.23431%0.311CS..G310 helixtrans-55.9-27.4179.5-25.734.8000114I223 D246 H247 I251I223-P244 HydrophobicContact CG2-CG 3.6Å; P244-D246 PolarHBondContact O-N 3.17Å; P244-H247 PolarHBondContact O-N 3.14Å; P244-I251 HydrophobicContact CB-CD1 4.41Å; P244-I251 HydrophobicContact CG-CD1 4.15Å; P244-I251 HydrophobicContact CG-CG1 4.28Å
245N97.1Very high97.6Very high117 Ų11752.6 Ų52.663%0.62629%0.292SS*.G310 helixtrans-71.7-16.4-179.2-64.4-28.9000113.6N243 H247N243-N245 PolarHBondContact O-N 2.92Å; N243-N245 WeakPolarHBondContact OD1-CB 3.35Å; N243-N245 PolarHBondContact OD1-N 3.34Å; N245-H247 PolarHBondContact O-N 2.84Å
246D97.4Very high97.6Very high118 Ų11851.6 Ų51.663%0.63128%0.282SS*.G310 helixtrans-84.33.7178.1-61.8-19.8000111.9N243 P244N243-D246 WeakPolarHBondContact CB-OD2 3.29Å; N243-D246 PolarHBondContact O-N 2.93Å; P244-D246 PolarHBondContact O-N 3.17Å
247H95.4Very high97.5Very high83 Ų8356.5 Ų56.538%0.38431%0.305SS..  trans-132.8138.9-174.7-56.4-74.9000111.7N243 P244 N245 L254N243-H247 PolarHBondContact O-CD2 3.14Å; N243-H247 VanDerWaalsContact O-CD2 3.25Å; P244-H247 PolarHBondContact O-N 3.14Å; N245-H247 PolarHBondContact O-N 2.84Å; H247-L254 HydrophobicContact CB-CD2 4.28Å; H247-L254 VanDerWaalsContact CD2-CD2 3.41Å; H247-L254 WeakPolarHBondContact CD2-CD2 3.44Å
248S93.3Very high97.5Very high127 Ų12758.8 Ų58.889%0.88831%0.313SS*.SBendtrans-82.6-15.7176.556.30000113.7
249R94.2Very high97.4Very high121 Ų12160 Ų6046%0.45732%0.32SS..SBendtrans-96.3151.4-175.4-57.7175.491-171.4-4.2110.1I251 E257R249-I251 PolarHBondContact O-N 2.82Å; R249-E257 IonicContact CZ-OE1 2.77Å; R249-E257 IonicContact CZ-OE2 2.82Å; R249-E257 IonicContact NH1-OE1 3.54Å; R249-E257 PolarHBondContact NH1-OE1 3.25Å; R249-E257 IonicContact NH1-OE2 3.04Å; R249-E257 PolarHBondContact NH1-OE2 3.09Å; R249-E257 IonicContact NH2-OE1 2.7Å; R249-E257 PolarHBondContact NH2-OE1 3.43Å
250P97.3Very high97.3Very high59 Ų5960.1 Ų60.138%0.38334%0.336SS..  trans-55.7136.8175.1-2433.9000111.9Q252 Q253 L254P250-Q252 PolarHBondContact O-N 3.2Å; P250-Q252 VanDerWaalsContact O-N 3.16Å; P250-Q253 HydrophobicContact CB-CG 4.4Å; P250-Q253 WeakPolarHBondContact O-CB 3.3Å; P250-Q253 PolarHBondContact O-N 3.36Å; P250-L254 PolarHBondContact O-N 3.48Å
251I98.3Very high97.2Very high23 Ų2359.8 Ų59.812%0.11834%0.343CS..Hα-helixtrans-56-36.8-173-172.658.4000112.8F199 I223 V242 P244 R249 Q253 L254 L255F199-I251 HydrophobicContact CE1-CG1 3.98Å; F199-I251 HydrophobicContact CE1-CG2 4.01Å; I223-I251 HydrophobicContact CG2-CD1 4.2Å; I223-I251 HydrophobicContact CG2-CG1 4.18Å; V242-I251 HydrophobicContact CG1-CD1 3.65Å; P244-I251 HydrophobicContact CB-CD1 4.41Å; P244-I251 HydrophobicContact CG-CD1 4.15Å; P244-I251 HydrophobicContact CG-CG1 4.28Å; R249-I251 PolarHBondContact O-N 2.82Å; I251-Q253 VanDerWaalsContact C-N 3.32Å; I251-Q253 PolarHBondContact O-N 3.48Å; I251-L254 HydrophobicContact CD1-CD2 4.13Å; I251-L254 PolarHBondContact O-N 3Å; I251-L255 HydrophobicContact CD1-CG 4.5Å; I251-L255 HydrophobicContact CG1-CD1 4.28Å; I251-L255 WeakPolarHBondContact O-CG 3.49Å; I251-L255 PolarHBondContact O-N 3.17Å
252Q98.1Very high97.2Very high28 Ų2858 Ų5813%0.13133%0.333CS..Hα-helixtrans-63.9-35.117865.7-87.141.500112.9P250 Q256 S278 E281P250-Q252 PolarHBondContact O-N 3.2Å; P250-Q252 VanDerWaalsContact O-N 3.16Å; Q252-Q256 WeakPolarHBondContact O-CG 3.28Å; Q252-Q256 PolarHBondContact O-N 2.95Å; Q252-Q256 VanDerWaalsContact O-N 3.08Å; Q252-S278 WeakPolarHBondContact CB-O 3.36Å; Q252-E281 HydrophobicContact CB-CB 3.96Å; Q252-E281 HydrophobicContact CG-CB 3.84Å; Q252-E281 PolarHBondContact NE2-OE2 3.4Å
253Q97.9Very high97.2Very high80 Ų8057.6 Ų57.637%0.37433%0.331SS..Hα-helixtrans-73.2-41.2177.9-65.4-178.87.700110.6P250 I251 L255 Q256 E257P250-Q253 HydrophobicContact CB-CG 4.4Å; P250-Q253 WeakPolarHBondContact O-CB 3.3Å; P250-Q253 PolarHBondContact O-N 3.36Å; I251-Q253 VanDerWaalsContact C-N 3.32Å; I251-Q253 PolarHBondContact O-N 3.48Å; Q253-L255 VanDerWaalsContact C-N 3.32Å; Q253-L255 PolarHBondContact O-N 2.87Å; Q253-Q256 PolarHBondContact O-N 3.13Å; Q253-E257 WeakPolarHBondContact O-CG 3.24Å; Q253-E257 PolarHBondContact O-N 3.15Å
254L98.1Very high97.2Very high25 Ų2558.5 Ų58.513%0.13134%0.336CS..Hα-helixtrans-57.4-47.117417664.2000111V242 H247 P250 I251 Q256 E257 M258V242-L254 HydrophobicContact CG1-CD2 3.86Å; H247-L254 HydrophobicContact CB-CD2 4.28Å; H247-L254 VanDerWaalsContact CD2-CD2 3.41Å; H247-L254 WeakPolarHBondContact CD2-CD2 3.44Å; P250-L254 PolarHBondContact O-N 3.48Å; I251-L254 HydrophobicContact CD1-CD2 4.13Å; I251-L254 PolarHBondContact O-N 3Å; L254-Q256 PolarHBondContact O-N 3.37Å; L254-E257 PolarHBondContact O-N 2.79Å; L254-M258 HydrophobicContact CD1-CG 4.26Å; L254-M258 HydrophobicContact CD1-SD 4.23Å; L254-M258 HydrophobicContact CD2-SD 4.49Å; L254-M258 HydrophobicContact CG-CG 4.42Å; L254-M258 HydrophobicContact CG-SD 3.94Å; L254-M258 WeakPolarHBondContact O-CB 3.39Å; L254-M258 VanDerWaalsContact O-CG 3.27Å; L254-M258 WeakPolarHBondContact O-CG 3.49Å; L254-M258 PolarHBondContact O-N 3.29Å
255L98.3Very high97.3Very high0 Ų057.5 Ų57.50%033%0.327CS..Hα-helixtrans-64-39.3178.7-68.2174000112.3A197 F199 I221 I223 I251 Q253 E257 M258 T259A197-L255 HydrophobicContact CB-CD1 4.06Å; F199-L255 HydrophobicContact CE1-CD1 4.04Å; F199-L255 HydrophobicContact CE2-CD1 4.15Å; F199-L255 HydrophobicContact CZ-CD1 3.38Å; I221-L255 HydrophobicContact CB-CD2 4.32Å; I221-L255 HydrophobicContact CD1-CD2 3.85Å; I221-L255 HydrophobicContact CG2-CD2 3.7Å; I223-L255 HydrophobicContact CD1-CD1 4.21Å; I223-L255 HydrophobicContact CD1-CD2 4.39Å; I251-L255 HydrophobicContact CD1-CG 4.5Å; I251-L255 HydrophobicContact CG1-CD1 4.28Å; I251-L255 WeakPolarHBondContact O-CG 3.49Å; I251-L255 PolarHBondContact O-N 3.17Å; Q253-L255 VanDerWaalsContact C-N 3.32Å; Q253-L255 PolarHBondContact O-N 2.87Å; L255-E257 VanDerWaalsContact C-N 3.34Å; L255-E257 PolarHBondContact O-N 2.73Å; L255-M258 HydrophobicContact CD2-SD 4.31Å; L255-M258 PolarHBondContact O-N 3.15Å; L255-T259 WeakPolarHBondContact O-CB 3.41Å; L255-T259 WeakPolarHBondContact O-CG2 3.42Å; L255-T259 PolarHBondContact O-N 3.45Å; L255-T259 VanDerWaalsContact O-N 3.1Å; L255-T259 PolarHBondContact O-OG1 3.35Å
256Q98.2Very high97.4Very high60 Ų6051.9 Ų51.928%0.2830%0.298SS..Hα-helixtrans-60.2-43.3174.1-73.3166.25.300111.8Q252 Q253 L254 T259 G260 G261 E281Q252-Q256 WeakPolarHBondContact O-CG 3.28Å; Q252-Q256 PolarHBondContact O-N 2.95Å; Q252-Q256 VanDerWaalsContact O-N 3.08Å; Q253-Q256 PolarHBondContact O-N 3.13Å; L254-Q256 PolarHBondContact O-N 3.37Å; Q256-T259 PolarHBondContact O-N 2.89Å; Q256-T259 PolarHBondContact O-OG1 3.07Å; Q256-G260 PolarHBondContact O-N 3.44Å; Q256-G261 PolarHBondContact O-N 3.34Å; Q256-E281 PolarHBondContact NE2-O 2.88Å
257E96.8Very high97.4Very high105 Ų10546.3 Ų46.349%0.49127%0.268SS..Hα-helixtrans-66.4-45.3177.2-70.8177.3175.500111.8R249 Q253 L254 L255 T259 G260R249-E257 IonicContact CZ-OE1 2.77Å; R249-E257 IonicContact CZ-OE2 2.82Å; R249-E257 IonicContact NH1-OE1 3.54Å; R249-E257 PolarHBondContact NH1-OE1 3.25Å; R249-E257 IonicContact NH1-OE2 3.04Å; R249-E257 PolarHBondContact NH1-OE2 3.09Å; R249-E257 IonicContact NH2-OE1 2.7Å; R249-E257 PolarHBondContact NH2-OE1 3.43Å; Q253-E257 WeakPolarHBondContact O-CG 3.24Å; Q253-E257 PolarHBondContact O-N 3.15Å; L254-E257 PolarHBondContact O-N 2.79Å; L255-E257 VanDerWaalsContact C-N 3.34Å; L255-E257 PolarHBondContact O-N 2.73Å; E257-T259 PolarHBondContact O-N 3.21Å; E257-G260 PolarHBondContact O-N 3.01Å
258M96.9Very high97.6Very high57 Ų5742.3 Ų42.328%0.28125%0.249SC..Hα-helixtrans-58.5-30.8178-73.7175.370.400112.6R219 I221 D240 V242 L254 L255R219-M258 PolarHBondContact NH1-O 3.42Å; I221-M258 HydrophobicContact CD1-CE 4.31Å; I221-M258 HydrophobicContact CG2-CE 4.4Å; D240-M258 HydrophobicContact CB-CE 4.48Å; V242-M258 HydrophobicContact CG2-CE 4.05Å; V242-M258 HydrophobicContact CG2-SD 4.14Å; L254-M258 HydrophobicContact CD1-CG 4.26Å; L254-M258 HydrophobicContact CD1-SD 4.23Å; L254-M258 HydrophobicContact CD2-SD 4.49Å; L254-M258 HydrophobicContact CG-CG 4.42Å; L254-M258 HydrophobicContact CG-SD 3.94Å; L254-M258 WeakPolarHBondContact O-CB 3.39Å; L254-M258 VanDerWaalsContact O-CG 3.27Å; L254-M258 WeakPolarHBondContact O-CG 3.49Å; L254-M258 PolarHBondContact O-N 3.29Å; L255-M258 HydrophobicContact CD2-SD 4.31Å; L255-M258 PolarHBondContact O-N 3.15Å
259T97.8Very high97.8Very high36 Ų3637 Ų3722%0.22121%0.212CC..Hα-helixtrans-109.1-0.2-17256.40000114I221 L255 Q256 E257 G262 V263I221-T259 HydrophobicContact CD1-CG2 3.84Å; L255-T259 WeakPolarHBondContact O-CB 3.41Å; L255-T259 WeakPolarHBondContact O-CG2 3.42Å; L255-T259 PolarHBondContact O-N 3.45Å; L255-T259 VanDerWaalsContact O-N 3.1Å; L255-T259 PolarHBondContact O-OG1 3.35Å; Q256-T259 PolarHBondContact O-N 2.89Å; Q256-T259 PolarHBondContact O-OG1 3.07Å; E257-T259 PolarHBondContact O-N 3.21Å; T259-G262 WeakPolarHBondContact OG1-CA 3.5Å; T259-G262 PolarHBondContact OG1-N 2.74Å; T259-G262 PolarHBondContact OG1-O 2.84Å; T259-V263 HydrophobicContact CG2-CG1 3.81Å
260G96.7Very high97.9Very high77 Ų7735.7 Ų35.779%0.79421%0.213SC*.THydrogen-bonded Turntrans70.427.5-178.800000114.3Q256 E257Q256-G260 PolarHBondContact O-N 3.44Å; E257-G260 PolarHBondContact O-N 3.01Å
261G95.9Very high97.8Very high36 Ų3633.5 Ų33.537%0.37120%0.201SC..SBendtrans147.3-6.9175.500000116.2Q256 P285Q256-G261 PolarHBondContact O-N 3.34Å; G261-P285 WeakPolarHBondContact O-CD 3.46Å
262G98.4Very high97.7Very high7 Ų735.5 Ų35.57%0.07221%0.212CC..  trans123160.4-178.900000112.2T259 S282T259-G262 WeakPolarHBondContact OG1-CA 3.5Å; T259-G262 PolarHBondContact OG1-N 2.74Å; T259-G262 PolarHBondContact OG1-O 2.84Å; G262-S282 CarbonylContact C-O 3.54Å; G262-S282 WeakPolarHBondContact CA-O 3.37Å
263V98.9Very high97.7Very high0 Ų034.5 Ų34.50%021%0.208CC..BIsolated β-bridgetrans-76.3153.2177.8-70.60000112.2S195 A197 I221 T259 F265 S282 C283 A284S195-V263 WeakPolarHBondContact OG-CA 3.49Å; A197-V263 HydrophobicContact CB-CB 4.44Å; A197-V263 HydrophobicContact CB-CG1 3.96Å; A197-V263 HydrophobicContact CB-CG2 3.85Å; I221-V263 HydrophobicContact CD1-CG1 4.21Å; T259-V263 HydrophobicContact CG2-CG1 3.81Å; V263-F265 WeakPolarHBondContact CG2-O 3.32Å; V263-S282 PolarHBondContact N-O 3.11Å; V263-C283 CarbonylContact O-C 3.58Å; V263-C283 VanDerWaalsContact O-CA 3.24Å; V263-C283 WeakPolarHBondContact O-CA 3.41Å; V263-A284 PolarHBondContact O-N 3.16Å
264D98.9Very high97.6Very high34 Ų3436.2 Ų36.218%0.18222%0.216CC..SBendtrans-69.1-38.2173.7-57.1-62.5000111.1S194 S195 W287 G288 V289S194-D264 WeakPolarHBondContact CA-OD2 3.39Å; S195-D264 PolarHBondContact N-OD2 3.41Å; S195-D264 WeakPolarHBondContact O-CB 3.45Å; S195-D264 PolarHBondContact O-N 2.94Å; S195-D264 VanDerWaalsContact O-N 3.13Å; S195-D264 PolarHBondContact OG-N 2.85Å; S195-D264 PolarHBondContact OG-OD2 2.91Å; D264-W287 PolarHBondContact OD1-NE1 2.97Å; D264-G288 CarbonylContact O-C 3.6Å; D264-G288 VanDerWaalsContact O-CA 3.26Å; D264-G288 WeakPolarHBondContact O-CA 3.38Å; D264-V289 PolarHBondContact O-N 2.72Å
265F98.9Very high97.6Very high14 Ų1436.6 Ų36.66%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-133.5137.8179.6-58.5-86.7000111.8A188 V190 S194 S195 C196 A197 V263 F267 V289A188-F265 HydrophobicContact CB-CD1 3.68Å; A188-F265 HydrophobicContact CB-CE1 4.09Å; A188-F265 WeakPolarHBondContact O-CE1 3.38Å; V190-F265 HydrophobicContact CB-CD2 4.42Å; V190-F265 HydrophobicContact CB-CE2 4.49Å; V190-F265 HydrophobicContact CG1-CD2 4.29Å; V190-F265 HydrophobicContact CG1-CE2 4.46Å; V190-F265 HydrophobicContact CG2-CB 4.29Å; V190-F265 HydrophobicContact CG2-CD1 4.29Å; V190-F265 HydrophobicContact CG2-CD2 4.04Å; V190-F265 HydrophobicContact CG2-CE2 4.49Å; V190-F265 HydrophobicContact CG2-CG 3.94Å; S194-F265 WeakPolarHBondContact OG-CE2 3.46Å; S195-F265 PolarHBondContact O-N 3.37Å; S195-F265 VanDerWaalsContact O-N 3.08Å; C196-F265 CarbonylContact C-O 3.55Å; C196-F265 WeakPolarHBondContact CA-O 3.48Å; A197-F265 PolarHBondContact N-O 3.34Å; V263-F265 WeakPolarHBondContact CG2-O 3.32Å; F265-F267 HydrophobicContact CB-CE2 3.83Å; F265-F267 HydrophobicContact CB-CZ 4.04Å; F265-V289 CarbonylContact C-O 3.56Å; F265-V289 VanDerWaalsContact CA-O 3.3Å; F265-V289 WeakPolarHBondContact CA-O 3.45Å; F265-V289 HydrophobicContact CD1-CB 3.76Å; F265-V289 HydrophobicContact CD1-CG2 4.21Å; F265-V289 HydrophobicContact CE1-CB 3.99Å; F265-V289 HydrophobicContact CE1-CG2 3.94Å
266S98.9Very high97.7Very high0 Ų036.9 Ų36.90%022%0.22CC..EExtended strand (participates in β ladder)trans-125.7144.2169.274.30000111.6A197 A279 C283 V289 S290 V291A197-S266 CarbonylContact O-C 3.49Å; A197-S266 VanDerWaalsContact O-CA 3.25Å; A197-S266 WeakPolarHBondContact O-CA 3.46Å; S266-A279 PolarHBondContact OG-O 3.4Å; S266-C283 PolarHBondContact OG-SG 2.96Å; S266-V289 PolarHBondContact N-O 2.78Å; S266-S290 CarbonylContact O-C 3.58Å; S266-S290 WeakPolarHBondContact O-CA 3.35Å; S266-S290 WeakPolarHBondContact OG-CA 3.3Å; S266-S290 WeakPolarHBondContact OG-CB 3.45Å; S266-S290 PolarHBondContact OG-OG 3.23Å; S266-V291 PolarHBondContact O-N 3.49Å
267F98.9Very high97.7Very high0 Ų037.8 Ų37.80%022%0.221CC..EExtended strand (participates in β ladder)trans-124.8116.2179.4-56.8-88.3000109.9A183 A184 A188 V190 C196 A197 V198 F199 A208 C212 F265 V291A183-F267 HydrophobicContact CB-CD1 3.94Å; A183-F267 HydrophobicContact CB-CE1 4.18Å; A183-F267 WeakPolarHBondContact O-CE1 3.4Å; A184-F267 HydrophobicContact CB-CE1 4.15Å; A184-F267 HydrophobicContact CB-CZ 3.95Å; A188-F267 HydrophobicContact CB-CE1 3.64Å; A188-F267 HydrophobicContact CB-CZ 3.62Å; V190-F267 HydrophobicContact CG2-CE2 4.24Å; V190-F267 HydrophobicContact CG2-CZ 3.7Å; C196-F267 HydrophobicContact CB-CE2 4.37Å; A197-F267 PolarHBondContact O-N 2.84Å; V198-F267 HydrophobicContact CG1-CB 4.5Å; V198-F267 HydrophobicContact CG2-CB 4.42Å; V198-F267 HydrophobicContact CG2-CD2 4.02Å; F199-F267 PolarHBondContact N-O 3.1Å; A208-F267 HydrophobicContact CB-CB 4.41Å; A208-F267 HydrophobicContact CB-CG 4.39Å; C212-F267 WeakPolarHBondContact SG-CE2 3.24Å; F265-F267 HydrophobicContact CB-CE2 3.83Å; F265-F267 HydrophobicContact CB-CZ 4.04Å; F267-V291 WeakPolarHBondContact CA-O 3.48Å; F267-V291 HydrophobicContact CD1-CB 3.86Å; F267-V291 HydrophobicContact CD1-CG1 4.46Å; F267-V291 HydrophobicContact CD1-CG2 4.18Å; F267-V291 HydrophobicContact CE1-CB 4.14Å; F267-V291 HydrophobicContact CE1-CG2 3.94Å
268E98.7Very high97.7Very high0 Ų033.7 Ų33.70%021%0.205CC..EExtended strand (participates in β ladder)trans-91.4119.7171.4-164.3-78.8161.100109.5I270 G271 N272 V275 M276 A279 V291 A293 G294E268-I270 WeakPolarHBondContact OE1-CA 3.34Å; E268-I270 VanDerWaalsContact OE1-CB 3.22Å; E268-I270 WeakPolarHBondContact OE1-CB 3.39Å; E268-I270 PolarHBondContact OE1-N 3.02Å; E268-I270 VanDerWaalsContact OE1-N 3.08Å; E268-I270 PolarHBondContact OE2-N 2.86Å; E268-G271 PolarHBondContact OE1-N 3.25Å; E268-G271 PolarHBondContact OE2-N 2.81Å; E268-N272 PolarHBondContact OE1-N 2.79Å; E268-N272 VanDerWaalsContact OE1-N 3.12Å; E268-V275 HydrophobicContact CG-CB 4.34Å; E268-V275 HydrophobicContact CG-CG1 4.05Å; E268-M276 HydrophobicContact CB-CG 4.22Å; E268-M276 HydrophobicContact CG-CB 4.3Å; E268-M276 HydrophobicContact CG-CG 3.67Å; E268-A279 HydrophobicContact CB-CB 4.2Å; E268-V291 PolarHBondContact N-O 2.87Å; E268-A293 CarbonylContact O-C 3.53Å; E268-A293 WeakPolarHBondContact O-CA 3.38Å; E268-A293 WeakPolarHBondContact O-CB 3.25Å; E268-A293 PolarHBondContact O-N 2.91Å; E268-G294 PolarHBondContact O-N 3.26Å; E268-G294 WeakPolarHBondContact OE2-CA 3.29Å; E268-G294 PolarHBondContact OE2-N 2.84Å
269C98.4Very high97.8Very high16 Ų1631 Ų3111%0.10819%0.191CC..  trans-125.924.5-171.7-61.10000112.8F199 V204F199-C269 WeakPolarHBondContact O-CA 3.47Å; F199-C269 WeakPolarHBondContact O-CB 3.39Å; F199-C269 PolarHBondContact O-N 3.28Å; V204-C269 HydrophobicContact CB-CB 4.34Å; V204-C269 HydrophobicContact CG1-CB 4.1Å
270I96.3Very high97.9Very high93 Ų9329.3 Ų29.348%0.47718%0.181SC..SBendtrans-112.3-44.3-175.7-58.1158.6000111.1F199 E268 N272 V275F199-I270 HydrophobicContact CB-CD1 4.45Å; E268-I270 WeakPolarHBondContact OE1-CA 3.34Å; E268-I270 VanDerWaalsContact OE1-CB 3.22Å; E268-I270 WeakPolarHBondContact OE1-CB 3.39Å; E268-I270 PolarHBondContact OE1-N 3.02Å; E268-I270 VanDerWaalsContact OE1-N 3.08Å; E268-I270 PolarHBondContact OE2-N 2.86Å; I270-N272 HydrophobicContact CG2-CB 4.16Å; I270-V275 HydrophobicContact CD1-CB 4.48Å; I270-V275 HydrophobicContact CD1-CG1 4Å; I270-V275 HydrophobicContact CD1-CG2 4.4Å
271G95.2Very high98Very high13 Ų1326.5 Ų26.513%0.13415%0.147CC..  trans93.127.1-169.300000112.8E268 T296E268-G271 PolarHBondContact OE1-N 3.25Å; E268-G271 PolarHBondContact OE2-N 2.81Å; G271-T296 WeakPolarHBondContact O-CB 3.43Å
272N96.1Very high98.1Very high64 Ų6424.8 Ų24.834%0.34213%0.129SC..  trans-109.3122.2176.7179.7-72.5000110.7E268 I270 E274 V275 M276E268-N272 PolarHBondContact OE1-N 2.79Å; E268-N272 VanDerWaalsContact OE1-N 3.12Å; I270-N272 HydrophobicContact CG2-CB 4.16Å; N272-E274 VanDerWaalsContact C-N 3.33Å; N272-E274 PolarHBondContact O-N 3.48Å; N272-E274 WeakPolarHBondContact OD1-CB 3.49Å; N272-E274 PolarHBondContact OD1-N 3.06Å; N272-V275 HydrophobicContact CB-CB 4.2Å; N272-V275 HydrophobicContact CB-CG2 3.99Å; N272-V275 PolarHBondContact O-N 3.45Å; N272-V275 VanDerWaalsContact O-N 3.09Å; N272-V275 PolarHBondContact OD1-N 2.92Å; N272-V275 VanDerWaalsContact OD1-N 3.07Å; N272-M276 WeakPolarHBondContact O-CG 3.46Å; N272-M276 PolarHBondContact O-N 3.32Å
273V96.9Very high98.1Very high8 Ų824.5 Ų24.55%0.04813%0.126CC..Hα-helixtrans-65-31.5-171.9-62.40000114M276 R277 T296 E299 F301V273-M276 HydrophobicContact CG1-SD 4.36Å; V273-M276 WeakPolarHBondContact O-CB 3.31Å; V273-M276 PolarHBondContact O-N 2.85Å; V273-R277 PolarHBondContact O-N 3.44Å; V273-R277 VanDerWaalsContact O-N 3.09Å; V273-T296 HydrophobicContact CG1-CG2 4.14Å; V273-E299 HydrophobicContact CG1-CB 3.77Å; V273-E299 HydrophobicContact CG2-CB 4.09Å; V273-F301 HydrophobicContact CB-CB 4.13Å; V273-F301 HydrophobicContact CG1-CB 4.13Å
274E97.3Very high98.1Very high116 Ų11624.7 Ų24.754%0.54213%0.128SC..Hα-helixtrans-71.7-35175.2-63.5-56.2137.800111.5N272 R277 S278N272-E274 VanDerWaalsContact C-N 3.33Å; N272-E274 PolarHBondContact O-N 3.48Å; N272-E274 WeakPolarHBondContact OD1-CB 3.49Å; N272-E274 PolarHBondContact OD1-N 3.06Å; E274-R277 PolarHBondContact O-N 3.3Å; E274-S278 WeakPolarHBondContact O-CB 3.42Å; E274-S278 PolarHBondContact O-N 3.46Å; E274-S278 PolarHBondContact O-OG 2.81Å
275V98.3Very high98.1Very high33 Ų3326 Ų2620%0.214%0.139CC..Hα-helixtrans-73-34173.2-173.40000111.1F199 E268 I270 N272 R277 S278 A279F199-V275 HydrophobicContact CB-CG1 3.72Å; F199-V275 HydrophobicContact CD1-CG1 3.68Å; F199-V275 HydrophobicContact CG-CG1 3.94Å; E268-V275 HydrophobicContact CG-CB 4.34Å; E268-V275 HydrophobicContact CG-CG1 4.05Å; I270-V275 HydrophobicContact CD1-CB 4.48Å; I270-V275 HydrophobicContact CD1-CG1 4Å; I270-V275 HydrophobicContact CD1-CG2 4.4Å; N272-V275 HydrophobicContact CB-CB 4.2Å; N272-V275 HydrophobicContact CB-CG2 3.99Å; N272-V275 PolarHBondContact O-N 3.45Å; N272-V275 VanDerWaalsContact O-N 3.09Å; N272-V275 PolarHBondContact OD1-N 2.92Å; N272-V275 VanDerWaalsContact OD1-N 3.07Å; V275-R277 VanDerWaalsContact C-N 3.29Å; V275-R277 PolarHBondContact O-N 2.91Å; V275-S278 PolarHBondContact O-N 3.39Å; V275-A279 WeakPolarHBondContact O-CB 3.43Å; V275-A279 PolarHBondContact O-N 2.67Å
276M98.5Very high98Very high5 Ų527.6 Ų27.63%0.02516%0.158CC..Hα-helixtrans-59.2-43.3172.3-66.4174.2-171.800111E268 N272 V273 L280 I292 T296 F301 W314E268-M276 HydrophobicContact CB-CG 4.22Å; E268-M276 HydrophobicContact CG-CB 4.3Å; E268-M276 HydrophobicContact CG-CG 3.67Å; N272-M276 WeakPolarHBondContact O-CG 3.46Å; N272-M276 PolarHBondContact O-N 3.32Å; V273-M276 HydrophobicContact CG1-SD 4.36Å; V273-M276 WeakPolarHBondContact O-CB 3.31Å; V273-M276 PolarHBondContact O-N 2.85Å; M276-L280 PolarHBondContact O-N 2.85Å; M276-L280 VanDerWaalsContact O-N 3.15Å; M276-I292 HydrophobicContact CB-CD1 4.4Å; M276-I292 HydrophobicContact CB-CG1 4.44Å; M276-I292 HydrophobicContact CE-CG2 3.68Å; M276-I292 HydrophobicContact CG-CD1 4.31Å; M276-I292 HydrophobicContact CG-CG1 4.21Å; M276-I292 HydrophobicContact CG-CG2 4.22Å; M276-I292 HydrophobicContact SD-CD1 3.93Å; M276-I292 HydrophobicContact SD-CG1 4.33Å; M276-I292 HydrophobicContact SD-CG2 3.86Å; M276-T296 HydrophobicContact CE-CG2 4.01Å; M276-F301 HydrophobicContact SD-CB 4.42Å; M276-W314 HydrophobicContact CB-CZ2 4.08Å
277R98.3Very high98Very high79 Ų7934.9 Ų34.930%0.29819%0.186SC..Hα-helixtrans-63.4-48.3173.6179.5-179.3174.8-179.7-4111.6V273 E274 V275 A279 L280 E281 S302V273-R277 PolarHBondContact O-N 3.44Å; V273-R277 VanDerWaalsContact O-N 3.09Å; E274-R277 PolarHBondContact O-N 3.3Å; V275-R277 VanDerWaalsContact C-N 3.29Å; V275-R277 PolarHBondContact O-N 2.91Å; R277-A279 VanDerWaalsContact C-N 3.27Å; R277-A279 PolarHBondContact O-N 3.19Å; R277-L280 PolarHBondContact O-N 3.25Å; R277-L280 VanDerWaalsContact O-N 3.16Å; R277-E281 HydrophobicContact CG-CG 4.34Å; R277-E281 IonicContact CZ-OE1 3.3Å; R277-E281 VanDerWaalsContact CZ-OE1 3.3Å; R277-E281 IonicContact NE-OE1 2.71Å; R277-E281 PolarHBondContact NE-OE1 2.93Å; R277-E281 IonicContact NH2-OE1 2.97Å; R277-E281 PolarHBondContact NH2-OE1 3.24Å; R277-E281 WeakPolarHBondContact O-CG 3.31Å; R277-E281 PolarHBondContact O-N 3.47Å; R277-S302 WeakPolarHBondContact CD-O 3.49Å
278S98.5Very high98Very high20 Ų2034.9 Ų34.914%0.1419%0.186CC..Hα-helixtrans-59.2-39.2178.9-58.80000112Q252 E274 V275 E281 S282Q252-S278 WeakPolarHBondContact CB-O 3.36Å; E274-S278 WeakPolarHBondContact O-CB 3.42Å; E274-S278 PolarHBondContact O-N 3.46Å; E274-S278 PolarHBondContact O-OG 2.81Å; V275-S278 PolarHBondContact O-N 3.39Å; S278-E281 PolarHBondContact O-N 2.99Å; S278-S282 WeakPolarHBondContact O-CB 3.16Å; S278-S282 PolarHBondContact O-N 2.97Å
279A98.8Very high98Very high0 Ų035.6 Ų35.60%019%0.19CC..Hα-helixtrans-60.7-50.7174.500000111.1F199 S266 E268 V275 R277 E281 S282F199-A279 HydrophobicContact CD2-CB 3.72Å; F199-A279 HydrophobicContact CE2-CB 3.66Å; F199-A279 HydrophobicContact CG-CB 4.39Å; F199-A279 HydrophobicContact CZ-CB 4.24Å; S266-A279 PolarHBondContact OG-O 3.4Å; E268-A279 HydrophobicContact CB-CB 4.2Å; V275-A279 WeakPolarHBondContact O-CB 3.43Å; V275-A279 PolarHBondContact O-N 2.67Å; R277-A279 VanDerWaalsContact C-N 3.27Å; R277-A279 PolarHBondContact O-N 3.19Å; A279-E281 PolarHBondContact O-N 3.06Å; A279-S282 PolarHBondContact O-N 3.35Å; A279-S282 PolarHBondContact O-OG 2.97Å
280L98.8Very high98Very high0 Ų034.9 Ų34.90%019%0.185CC..Hα-helixtrans-56.7-48.2174.4177.167000112.6M276 R277 S282 C283 S290 A303 H307 L308 R312 W314M276-L280 PolarHBondContact O-N 2.85Å; M276-L280 VanDerWaalsContact O-N 3.15Å; R277-L280 PolarHBondContact O-N 3.25Å; R277-L280 VanDerWaalsContact O-N 3.16Å; L280-S282 PolarHBondContact O-N 3.36Å; L280-C283 WeakPolarHBondContact O-CB 3.38Å; L280-C283 PolarHBondContact O-N 2.79Å; L280-S290 PolarHBondContact N-OG 3.01Å; L280-A303 HydrophobicContact CD2-CB 3.61Å; L280-H307 HydrophobicContact CD2-CB 4.38Å; L280-L308 HydrophobicContact CD1-CD2 4.31Å; L280-L308 HydrophobicContact CD2-CD2 4.39Å; L280-R312 HydrophobicContact CD1-CB 3.97Å; L280-R312 VanDerWaalsContact O-CD 3.31Å; L280-R312 WeakPolarHBondContact O-CD 3.38Å; L280-R312 PolarHBondContact O-NE 3Å; L280-W314 HydrophobicContact CB-CD2 4.45Å; L280-W314 HydrophobicContact CD1-CB 3.98Å; L280-W314 HydrophobicContact CD1-CG 4.08Å; L280-W314 HydrophobicContact CD2-CB 4.39Å; L280-W314 HydrophobicContact CD2-CD2 3.72Å; L280-W314 HydrophobicContact CD2-CE3 3.66Å; L280-W314 HydrophobicContact CD2-CG 4.1Å; L280-W314 HydrophobicContact CD2-CH2 4.4Å; L280-W314 HydrophobicContact CD2-CZ2 4.5Å; L280-W314 HydrophobicContact CD2-CZ3 4.01Å; L280-W314 HydrophobicContact CG-CD2 4.46Å; L280-W314 HydrophobicContact CG-CG 4.47Å
281E98.6Very high98.2Very high19 Ų1930.4 Ų30.49%0.08916%0.163CC..Hα-helixtrans-66.5-26.9-178-69.5-178179.300112.2Q252 Q256 R277 S278 A279 C283 H307Q252-E281 HydrophobicContact CB-CB 3.96Å; Q252-E281 HydrophobicContact CG-CB 3.84Å; Q252-E281 PolarHBondContact NE2-OE2 3.4Å; Q256-E281 PolarHBondContact NE2-O 2.88Å; R277-E281 HydrophobicContact CG-CG 4.34Å; R277-E281 IonicContact CZ-OE1 3.3Å; R277-E281 VanDerWaalsContact CZ-OE1 3.3Å; R277-E281 IonicContact NE-OE1 2.71Å; R277-E281 PolarHBondContact NE-OE1 2.93Å; R277-E281 IonicContact NH2-OE1 2.97Å; R277-E281 PolarHBondContact NH2-OE1 3.24Å; R277-E281 WeakPolarHBondContact O-CG 3.31Å; R277-E281 PolarHBondContact O-N 3.47Å; S278-E281 PolarHBondContact O-N 2.99Å; A279-E281 PolarHBondContact O-N 3.06Å; E281-C283 VanDerWaalsContact C-N 3.26Å; E281-C283 PolarHBondContact O-N 3.08Å; E281-H307 IonicContact OE1-NE2 2.94Å
282S98.6Very high98.3Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-71.3-17.1176.877.10000114.2G262 V263 S278 A279 L280G262-S282 CarbonylContact C-O 3.54Å; G262-S282 WeakPolarHBondContact CA-O 3.37Å; V263-S282 PolarHBondContact N-O 3.11Å; S278-S282 WeakPolarHBondContact O-CB 3.16Å; S278-S282 PolarHBondContact O-N 2.97Å; A279-S282 PolarHBondContact O-N 3.35Å; A279-S282 PolarHBondContact O-OG 2.97Å; L280-S282 PolarHBondContact O-N 3.36Å
283C98.8Very high98.4Very high0 Ų028.8 Ų28.80%015%0.153CC..BIsolated β-bridgetrans-72.4153.4-179.6-70.70000112.5V263 S266 L280 E281 R312V263-C283 CarbonylContact O-C 3.58Å; V263-C283 VanDerWaalsContact O-CA 3.24Å; V263-C283 WeakPolarHBondContact O-CA 3.41Å; S266-C283 PolarHBondContact OG-SG 2.96Å; L280-C283 WeakPolarHBondContact O-CB 3.38Å; L280-C283 PolarHBondContact O-N 2.79Å; E281-C283 VanDerWaalsContact C-N 3.26Å; E281-C283 PolarHBondContact O-N 3.08Å; C283-R312 HydrophobicContact CB-CG 4.41Å; C283-R312 PolarHBondContact O-NE 3.09Å; C283-R312 PolarHBondContact O-NH2 3.03Å
284A98.6Very high98.3Very high5 Ų529.1 Ų29.14%0.04116%0.158CC..PPolyproline II helixtrans-61136.5172.500000111.2V263 W287 G288 R312V263-A284 PolarHBondContact O-N 3.16Å; A284-W287 HydrophobicContact CB-CZ2 4.03Å; A284-G288 WeakPolarHBondContact O-CA 3.4Å; A284-G288 PolarHBondContact O-N 3.46Å; A284-G288 VanDerWaalsContact O-N 3.12Å; A284-R312 WeakPolarHBondContact O-CG 3.48Å
285P98.1Very high98Very high62 Ų6228.1 Ų28.140%0.40315%0.149SC..THydrogen-bonded Turntrans-62.4155166.429.7-33.3000110.3G261 W287G261-P285 WeakPolarHBondContact O-CD 3.46Å; P285-W287 PolarHBondContact O-N 3.1Å
286G98.3Very high97.5Very high46 Ų4628.2 Ų28.247%0.47415%0.15SC..THydrogen-bonded Turntrans94.1-49.2177.400000113.9T310 G311G286-T310 WeakPolarHBondContact CA-O 2.91Å; G286-T310 PolarHBondContact N-O 3.12Å; G286-G311 CarbonylContact C-O 3.4Å; G286-G311 CarbonylContact O-C 3.16Å; G286-G311 WeakPolarHBondContact O-CA 3.38Å; G286-G311 VanDerWaalsContact O-O 3.1Å
287W98.4Very high96.9Very high153 Ų15331.1 Ų31.158%0.5817%0.165SC*.THydrogen-bonded Turntrans-138.6-17-173.259.589.2000115.9D264 A284 P285 V289D264-W287 PolarHBondContact OD1-NE1 2.97Å; A284-W287 HydrophobicContact CB-CZ2 4.03Å; P285-W287 PolarHBondContact O-N 3.1Å; W287-V289 WeakPolarHBondContact O-CG2 3.41Å
288G98.8Very high96.3Very high0 Ų032.6 Ų32.60%018%0.177CC..  trans-59.6140.9-167.400000113.8D264 A284 R312 K313D264-G288 CarbonylContact O-C 3.6Å; D264-G288 VanDerWaalsContact O-CA 3.26Å; D264-G288 WeakPolarHBondContact O-CA 3.38Å; A284-G288 WeakPolarHBondContact O-CA 3.4Å; A284-G288 PolarHBondContact O-N 3.46Å; A284-G288 VanDerWaalsContact O-N 3.12Å; G288-R312 CarbonylContact O-C 3.59Å; G288-R312 VanDerWaalsContact O-CA 3.26Å; G288-R312 WeakPolarHBondContact O-CA 3.41Å; G288-K313 PolarHBondContact O-N 3.04Å
289V98.9Very high95.8Very high16 Ų1637.1 Ų37.110%0.09720%0.196CC..EExtended strand (participates in β ladder)trans-117.6121.8-174.4-1750000110.7D264 F265 S266 W287 V291 K313 T315D264-V289 PolarHBondContact O-N 2.72Å; F265-V289 CarbonylContact C-O 3.56Å; F265-V289 VanDerWaalsContact CA-O 3.3Å; F265-V289 WeakPolarHBondContact CA-O 3.45Å; F265-V289 HydrophobicContact CD1-CB 3.76Å; F265-V289 HydrophobicContact CD1-CG2 4.21Å; F265-V289 HydrophobicContact CE1-CB 3.99Å; F265-V289 HydrophobicContact CE1-CG2 3.94Å; S266-V289 PolarHBondContact N-O 2.78Å; W287-V289 WeakPolarHBondContact O-CG2 3.41Å; V289-V291 HydrophobicContact CG1-CG2 4.24Å; V289-K313 WeakPolarHBondContact CA-O 3.25Å; V289-K313 HydrophobicContact CG1-CB 4.35Å; V289-K313 HydrophobicContact CG2-CB 4.24Å; V289-K313 HydrophobicContact CG2-CD 4.15Å; V289-T315 HydrophobicContact CG1-CG2 4.12Å
290S98.9Very high95.6Very high0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-104125.3171.9-178.50000111S266 L280 K313 T315S266-S290 CarbonylContact O-C 3.58Å; S266-S290 WeakPolarHBondContact O-CA 3.35Å; S266-S290 WeakPolarHBondContact OG-CA 3.3Å; S266-S290 WeakPolarHBondContact OG-CB 3.45Å; S266-S290 PolarHBondContact OG-OG 3.23Å; L280-S290 PolarHBondContact N-OG 3.01Å; S290-K313 PolarHBondContact N-O 2.85Å; S290-T315 PolarHBondContact O-N 2.81Å
291V98.9Very high95.2Very high0 Ų050.1 Ų50.10%026%0.26CS..EExtended strand (participates in β ladder)trans-110.5119.7179.9-173.90000109.9A183 T187 A188 S266 F267 E268 V289 T315 T317A183-V291 HydrophobicContact CB-CG1 4.34Å; T187-V291 HydrophobicContact CG2-CG1 3.97Å; T187-V291 HydrophobicContact CG2-CG2 4.4Å; A188-V291 HydrophobicContact CB-CG2 3.87Å; S266-V291 PolarHBondContact O-N 3.49Å; F267-V291 WeakPolarHBondContact CA-O 3.48Å; F267-V291 HydrophobicContact CD1-CB 3.86Å; F267-V291 HydrophobicContact CD1-CG1 4.46Å; F267-V291 HydrophobicContact CD1-CG2 4.18Å; F267-V291 HydrophobicContact CE1-CB 4.14Å; F267-V291 HydrophobicContact CE1-CG2 3.94Å; E268-V291 PolarHBondContact N-O 2.87Å; V289-V291 HydrophobicContact CG1-CG2 4.24Å; V291-T315 WeakPolarHBondContact CA-O 3.36Å; V291-T315 HydrophobicContact CB-CG2 4.4Å; V291-T315 HydrophobicContact CG1-CG2 4.49Å; V291-T315 HydrophobicContact CG2-CG2 3.83Å; V291-T317 HydrophobicContact CG1-CG2 3.99Å
292I98.6Very high95.1Very high25 Ų2552.9 Ų52.913%0.12828%0.282CS..EExtended strand (participates in β ladder)trans-84119.5169.6-56.2172.2000108.8M276 W314 T315 G316 T317M276-I292 HydrophobicContact CB-CD1 4.4Å; M276-I292 HydrophobicContact CB-CG1 4.44Å; M276-I292 HydrophobicContact CE-CG2 3.68Å; M276-I292 HydrophobicContact CG-CD1 4.31Å; M276-I292 HydrophobicContact CG-CG1 4.21Å; M276-I292 HydrophobicContact CG-CG2 4.22Å; M276-I292 HydrophobicContact SD-CD1 3.93Å; M276-I292 HydrophobicContact SD-CG1 4.33Å; M276-I292 HydrophobicContact SD-CG2 3.86Å; I292-W314 HydrophobicContact CD1-CZ2 4.22Å; I292-T315 PolarHBondContact N-O 3.32Å; I292-G316 CarbonylContact O-C 3.31Å; I292-G316 WeakPolarHBondContact O-CA 3.5Å; I292-T317 PolarHBondContact O-N 3.13Å
293A97.7Very high94.9Very high18 Ų1854.2 Ų54.215%0.14929%0.292CS..  trans-118.7-21.8171.800000112.4T179 V204 E268 T317T179-A293 HydrophobicContact CG2-CB 4.5Å; V204-A293 HydrophobicContact CG1-CB 4.09Å; E268-A293 CarbonylContact O-C 3.53Å; E268-A293 WeakPolarHBondContact O-CA 3.38Å; E268-A293 WeakPolarHBondContact O-CB 3.25Å; E268-A293 PolarHBondContact O-N 2.91Å; A293-T317 HydrophobicContact CB-CG2 3.76Å
294G95.1Very high94.8Very high14 Ų1456.4 Ų56.414%0.14431%0.307CS..SBendtrans-64.7147.7172.300000112.8E268E268-G294 PolarHBondContact O-N 3.26Å; E268-G294 WeakPolarHBondContact OE2-CA 3.29Å; E268-G294 PolarHBondContact OE2-N 2.84Å
295W90.1Very high94.8Very high95 Ų9560.6 Ų60.636%0.3633%0.334SS..  trans-108.6132-176.4-175.8-86.6000111.9L318W295-L318 HydrophobicContact CE3-CD1 4.46Å; W295-L318 HydrophobicContact CZ3-CD1 4.07Å
296T89.1Confident94.8Very high36 Ų3662.3 Ų62.322%0.22134%0.338CS..  trans-153.6145.9165.5-1780000109.4G271 V273 M276 M298G271-T296 WeakPolarHBondContact O-CB 3.43Å; V273-T296 HydrophobicContact CG1-CG2 4.14Å; M276-T296 HydrophobicContact CE-CG2 4.01Å; T296-M298 PolarHBondContact OG1-N 2.81Å
297D86.1Confident94.8Very high65 Ų6561.8 Ų61.835%0.34832%0.323SS..SBendtrans-120.97.317270.6-28.8000112.4Y52 S58Y52-D297 VanDerWaalsContact CE1-OD1 3.3Å; Y52-D297 WeakPolarHBondContact CE1-OD1 3.44Å; Y52-D297 VanDerWaalsContact CZ-OD1 3.3Å; Y52-D297 PolarHBondContact OH-N 2.87Å; Y52-D297 VanDerWaalsContact OH-N 3.08Å; Y52-D297 PolarHBondContact OH-OD1 3.22Å; S58-D297 PolarHBondContact OG-OD2 2.79Å
298M85.4Confident94.8Very high111 Ų11158.5 Ų58.555%0.54732%0.317SS..SBendtrans-95.1-27.2-172-68.2-64.2-66.500113.6Y52 T296Y52-M298 WeakPolarHBondContact OH-CG 3.45Å; T296-M298 PolarHBondContact OG1-N 2.81Å
299E88.3Confident94.7Very high115 Ų11565.8 Ų65.854%0.53735%0.353SS..  trans-135146.4-168.9-63.5-177.7122.400111.4V273V273-E299 HydrophobicContact CG1-CB 3.77Å; V273-E299 HydrophobicContact CG2-CB 4.09Å
300N92.6Very high94.7Very high158 Ų15868 Ų6885%0.84537%0.366SS*.  trans-81.1146.9167.6-67.4-43.5000109.5
301F91.8Very high94.7Very high114 Ų11469.1 Ų69.150%0.538%0.378SS..  trans-100.8152.8170.360.6-90.4000110.6V273 M276 W314V273-F301 HydrophobicContact CB-CB 4.13Å; V273-F301 HydrophobicContact CG1-CB 4.13Å; M276-F301 HydrophobicContact SD-CB 4.42Å; F301-W314 HydrophobicContact CB-CH2 4.24Å; F301-W314 HydrophobicContact CD2-CE3 4.2Å; F301-W314 AromaticContact CD2-CH2 3.32Å; F301-W314 HydrophobicContact CD2-CH2 3.32Å; F301-W314 AromaticContact CD2-CZ2 3.79Å; F301-W314 HydrophobicContact CD2-CZ2 3.79Å; F301-W314 AromaticContact CD2-CZ3 3.53Å; F301-W314 HydrophobicContact CD2-CZ3 3.53Å; F301-W314 HydrophobicContact CE2-CE3 4.11Å; F301-W314 HydrophobicContact CE2-CH2 4.05Å; F301-W314 HydrophobicContact CE2-CZ2 4.39Å; F301-W314 AromaticContact CE2-CZ3 3.88Å; F301-W314 HydrophobicContact CE2-CZ3 3.88Å; F301-W314 HydrophobicContact CG-CH2 4.19Å; F301-W314 HydrophobicContact CG-CZ2 4.47Å
302S95.1Very high94.6Very high78 Ų7870.2 Ų70.255%0.54538%0.383SS..  trans-146.8154.1177.870.10000111.8R277R277-S302 WeakPolarHBondContact CD-O 3.49Å
303A95.8Very high94.6Very high27 Ų2775.2 Ų75.222%0.22340%0.403CS..  trans-151.3149.2171.400000109.9L280 W314L280-A303 HydrophobicContact CD2-CB 3.61Å; A303-W314 HydrophobicContact CB-CE3 4.36Å; A303-W314 HydrophobicContact CB-CH2 3.96Å; A303-W314 HydrophobicContact CB-CZ3 3.59Å
304P97.3Very high94.7Very high46 Ų4676.9 Ų76.930%0.29941%0.406SS..  trans-54.5129.5172.1-27.833.3000112.4I306 H307P304-I306 HydrophobicContact CB-CG2 4.03Å; P304-I306 PolarHBondContact O-N 2.69Å; P304-H307 WeakPolarHBondContact O-CB 3.39Å; P304-H307 PolarHBondContact O-CD2 2.83Å; P304-H307 VanDerWaalsContact O-CD2 3.25Å; P304-H307 PolarHBondContact O-N 2.86Å
305P97.9Very high94.8Very high94 Ų9479.1 Ų79.161%0.6142%0.417SS*.THydrogen-bonded Turntrans-56.4-28.6-177.2-28.635.3000114.3H307 L308 M309P305-H307 PolarHBondContact O-N 2.89Å; P305-H307 VanDerWaalsContact O-N 3.14Å; P305-L308 PolarHBondContact O-N 2.75Å; P305-M309 WeakPolarHBondContact O-CG 3.49Å; P305-M309 PolarHBondContact O-N 3.08Å
306I97.8Very high95.2Very high97 Ų9776.7 Ų76.750%0.49742%0.422SS..Hα-helixtrans-56.9-29.3178.3-166.161.5000112.4P304 L308 M309 T310P304-I306 HydrophobicContact CB-CG2 4.03Å; P304-I306 PolarHBondContact O-N 2.69Å; I306-L308 VanDerWaalsContact C-N 3.33Å; I306-L308 PolarHBondContact O-N 3.3Å; I306-M309 HydrophobicContact CD1-CB 4.43Å; I306-M309 PolarHBondContact O-N 3.49Å; I306-T310 HydrophobicContact CD1-CG2 3.89Å; I306-T310 HydrophobicContact CG1-CG2 3.99Å; I306-T310 WeakPolarHBondContact O-CB 3.47Å; I306-T310 VanDerWaalsContact O-CG2 3.27Å; I306-T310 WeakPolarHBondContact O-CG2 3.22Å; I306-T310 PolarHBondContact O-N 3.12Å; I306-T310 PolarHBondContact O-OG1 2.5Å
307H97.5Very high95.6Very high35 Ų3576 Ų7616%0.16242%0.417CS..Hα-helixtrans-63-39.6176.8-65.6-56.4000112.2L280 E281 P304 P305 T310 R312L280-H307 HydrophobicContact CD2-CB 4.38Å; E281-H307 IonicContact OE1-NE2 2.94Å; P304-H307 WeakPolarHBondContact O-CB 3.39Å; P304-H307 PolarHBondContact O-CD2 2.83Å; P304-H307 VanDerWaalsContact O-CD2 3.25Å; P304-H307 PolarHBondContact O-N 2.86Å; P305-H307 PolarHBondContact O-N 2.89Å; P305-H307 VanDerWaalsContact O-N 3.14Å; H307-T310 PolarHBondContact O-OG1 3.31Å; H307-R312 VanDerWaalsContact O-CB 3.24Å; H307-R312 WeakPolarHBondContact O-CB 3.37Å; H307-R312 WeakPolarHBondContact O-CG 3.4Å; H307-R312 PolarHBondContact O-N 3.33Å
308L98.2Very high96.1Very high84 Ų8474.9 Ų74.944%0.4441%0.411SS..Hα-helixtrans-79.7-40.9176.6-58-176.5000111.7L280 P305 I306 T310 G311 R312 W314L280-L308 HydrophobicContact CD1-CD2 4.31Å; L280-L308 HydrophobicContact CD2-CD2 4.39Å; P305-L308 PolarHBondContact O-N 2.75Å; I306-L308 VanDerWaalsContact C-N 3.33Å; I306-L308 PolarHBondContact O-N 3.3Å; L308-T310 PolarHBondContact O-N 3.08Å; L308-G311 PolarHBondContact O-N 3.39Å; L308-R312 WeakPolarHBondContact CD2-O 3.3Å; L308-W314 HydrophobicContact CD2-CB 3.97Å
309M98.2Very high96.6Very high154 Ų15469.7 Ų69.776%0.75939%0.385SS*.Hα-helixtrans-60.2-32.2177-67.7175.663.900112.3P305 I306 G311P305-M309 WeakPolarHBondContact O-CG 3.49Å; P305-M309 PolarHBondContact O-N 3.08Å; I306-M309 HydrophobicContact CD1-CB 4.43Å; I306-M309 PolarHBondContact O-N 3.49Å; M309-G311 PolarHBondContact O-N 2.88Å
310T98Very high97.1Very high61 Ų6164.2 Ų64.237%0.37436%0.36SS..THydrogen-bonded Turntrans-83.714.8175.355.70000113.4G286 I306 H307 L308 R312G286-T310 WeakPolarHBondContact CA-O 2.91Å; G286-T310 PolarHBondContact N-O 3.12Å; I306-T310 HydrophobicContact CD1-CG2 3.89Å; I306-T310 HydrophobicContact CG1-CG2 3.99Å; I306-T310 WeakPolarHBondContact O-CB 3.47Å; I306-T310 VanDerWaalsContact O-CG2 3.27Å; I306-T310 WeakPolarHBondContact O-CG2 3.22Å; I306-T310 PolarHBondContact O-N 3.12Å; I306-T310 PolarHBondContact O-OG1 2.5Å; H307-T310 PolarHBondContact O-OG1 3.31Å; L308-T310 PolarHBondContact O-N 3.08Å; T310-R312 PolarHBondContact OG1-NH1 2.81Å
311G98.3Very high97.3Very high25 Ų2558 Ų5826%0.25833%0.333SS..THydrogen-bonded Turntrans99.9-2.2165.900000116.4G286 L308 M309G286-G311 CarbonylContact C-O 3.4Å; G286-G311 CarbonylContact O-C 3.16Å; G286-G311 WeakPolarHBondContact O-CA 3.38Å; G286-G311 VanDerWaalsContact O-O 3.1Å; L308-G311 PolarHBondContact O-N 3.39Å; M309-G311 PolarHBondContact O-N 2.88Å
312R98.7Very high97.6Very high23 Ų2353.5 Ų53.59%0.08731%0.313CS..  trans-68.2150.2170.6-61.2177.817778.10.6110.6L280 C283 A284 G288 H307 L308 T310L280-R312 HydrophobicContact CD1-CB 3.97Å; L280-R312 VanDerWaalsContact O-CD 3.31Å; L280-R312 WeakPolarHBondContact O-CD 3.38Å; L280-R312 PolarHBondContact O-NE 3Å; C283-R312 HydrophobicContact CB-CG 4.41Å; C283-R312 PolarHBondContact O-NE 3.09Å; C283-R312 PolarHBondContact O-NH2 3.03Å; A284-R312 WeakPolarHBondContact O-CG 3.48Å; G288-R312 CarbonylContact O-C 3.59Å; G288-R312 VanDerWaalsContact O-CA 3.26Å; G288-R312 WeakPolarHBondContact O-CA 3.41Å; H307-R312 VanDerWaalsContact O-CB 3.24Å; H307-R312 WeakPolarHBondContact O-CB 3.37Å; H307-R312 WeakPolarHBondContact O-CG 3.4Å; H307-R312 PolarHBondContact O-N 3.33Å; L308-R312 WeakPolarHBondContact CD2-O 3.3Å; T310-R312 PolarHBondContact OG1-NH1 2.81Å
313K98.7Very high97.7Very high129 Ų12952.5 Ų52.556%0.56130%0.299SS*.EExtended strand (participates in β ladder)trans-113.8132.9172.7-60.1173.5-168.4155.50109.2G288 V289 S290G288-K313 PolarHBondContact O-N 3.04Å; V289-K313 WeakPolarHBondContact CA-O 3.25Å; V289-K313 HydrophobicContact CG1-CB 4.35Å; V289-K313 HydrophobicContact CG2-CB 4.24Å; V289-K313 HydrophobicContact CG2-CD 4.15Å; S290-K313 PolarHBondContact N-O 2.85Å
314W98.3Very high97.6Very high53 Ų5351.2 Ų51.220%0.20129%0.288CS..EExtended strand (participates in β ladder)trans-114.7120.1172.5-155.512.2000108.9M276 L280 I292 F301 A303 L308M276-W314 HydrophobicContact CB-CZ2 4.08Å; L280-W314 HydrophobicContact CB-CD2 4.45Å; L280-W314 HydrophobicContact CD1-CB 3.98Å; L280-W314 HydrophobicContact CD1-CG 4.08Å; L280-W314 HydrophobicContact CD2-CB 4.39Å; L280-W314 HydrophobicContact CD2-CD2 3.72Å; L280-W314 HydrophobicContact CD2-CE3 3.66Å; L280-W314 HydrophobicContact CD2-CG 4.1Å; L280-W314 HydrophobicContact CD2-CH2 4.4Å; L280-W314 HydrophobicContact CD2-CZ2 4.5Å; L280-W314 HydrophobicContact CD2-CZ3 4.01Å; L280-W314 HydrophobicContact CG-CD2 4.46Å; L280-W314 HydrophobicContact CG-CG 4.47Å; I292-W314 HydrophobicContact CD1-CZ2 4.22Å; F301-W314 HydrophobicContact CB-CH2 4.24Å; F301-W314 HydrophobicContact CD2-CE3 4.2Å; F301-W314 AromaticContact CD2-CH2 3.32Å; F301-W314 HydrophobicContact CD2-CH2 3.32Å; F301-W314 AromaticContact CD2-CZ2 3.79Å; F301-W314 HydrophobicContact CD2-CZ2 3.79Å; F301-W314 AromaticContact CD2-CZ3 3.53Å; F301-W314 HydrophobicContact CD2-CZ3 3.53Å; F301-W314 HydrophobicContact CE2-CE3 4.11Å; F301-W314 HydrophobicContact CE2-CH2 4.05Å; F301-W314 HydrophobicContact CE2-CZ2 4.39Å; F301-W314 AromaticContact CE2-CZ3 3.88Å; F301-W314 HydrophobicContact CE2-CZ3 3.88Å; F301-W314 HydrophobicContact CG-CH2 4.19Å; F301-W314 HydrophobicContact CG-CZ2 4.47Å; A303-W314 HydrophobicContact CB-CE3 4.36Å; A303-W314 HydrophobicContact CB-CH2 3.96Å; A303-W314 HydrophobicContact CB-CZ3 3.59Å; L308-W314 HydrophobicContact CD2-CB 3.97Å
315T98.1Very high97.5Very high61 Ų6149.5 Ų49.537%0.37428%0.277SS..EExtended strand (participates in β ladder)trans-138.3170-175.8-168.40000110.2T187 V289 S290 V291 I292T187-T315 HydrophobicContact CG2-CG2 4.11Å; V289-T315 HydrophobicContact CG1-CG2 4.12Å; S290-T315 PolarHBondContact O-N 2.81Å; V291-T315 WeakPolarHBondContact CA-O 3.36Å; V291-T315 HydrophobicContact CB-CG2 4.4Å; V291-T315 HydrophobicContact CG1-CG2 4.49Å; V291-T315 HydrophobicContact CG2-CG2 3.83Å; I292-T315 PolarHBondContact N-O 3.32Å
316G97.7Very high97.4Very high45 Ų4547.9 Ų47.946%0.46426%0.263SS..EExtended strand (participates in β ladder)trans-127162.7175.800000111.5I292I292-G316 CarbonylContact O-C 3.31Å; I292-G316 WeakPolarHBondContact O-CA 3.5Å
317T97.9Very high97.3Very high20 Ų2043.4 Ų43.412%0.12324%0.241CC..  trans-129.9147.2172.1-163.40000110.6A183 T187 V291 I292 A293 G320 G321A183-T317 HydrophobicContact CB-CG2 3.8Å; T187-T317 WeakPolarHBondContact OG1-CB 3.22Å; T187-T317 PolarHBondContact OG1-OG1 3.33Å; V291-T317 HydrophobicContact CG1-CG2 3.99Å; I292-T317 PolarHBondContact O-N 3.13Å; A293-T317 HydrophobicContact CB-CG2 3.76Å; T317-G320 VanDerWaalsContact OG1-CA 3.24Å; T317-G320 WeakPolarHBondContact OG1-CA 3.44Å; T317-G320 PolarHBondContact OG1-N 3.08Å; T317-G321 PolarHBondContact OG1-N 2.87Å
318L95.9Very high97.3Very high43 Ų4341.8 Ų41.823%0.22523%0.233CC..SBendtrans-127.1126.8167.6-16663.9000107.8F95 M96 N111 L112 A118 W295 G320 G321F95-L318 HydrophobicContact CE2-CD1 4.48Å; M96-L318 HydrophobicContact CE-CB 4.5Å; M96-L318 HydrophobicContact CE-CD2 3.38Å; M96-L318 HydrophobicContact CE-CG 3.58Å; N111-L318 PolarHBondContact ND2-O 2.8Å; L112-L318 HydrophobicContact CD2-CD2 3.78Å; A118-L318 HydrophobicContact CB-CD2 4.4Å; W295-L318 HydrophobicContact CE3-CD1 4.46Å; W295-L318 HydrophobicContact CZ3-CD1 4.07Å; L318-G320 PolarHBondContact O-N 2.82Å; L318-G320 VanDerWaalsContact O-N 3.12Å; L318-G321 PolarHBondContact O-N 2.92Å
319F97.3Very high97.3Very high1 Ų139.5 Ų39.50%0.00423%0.226CC..G310 helixtrans52.430.2-173.7-160.9-124.4000113.9L94 F95 M96 G174 C178 G321 F322 V328L94-F319 HydrophobicContact CD2-CZ 4.37Å; F95-F319 AromaticContact CE1-CD2 3.5Å; F95-F319 HydrophobicContact CE1-CD2 3.5Å; F95-F319 AromaticContact CE1-CE2 3.99Å; F95-F319 HydrophobicContact CE1-CE2 3.99Å; F95-F319 HydrophobicContact CE1-CG 4.23Å; F95-F319 HydrophobicContact CE2-CB 4.44Å; F95-F319 HydrophobicContact CZ-CB 3.84Å; F95-F319 AromaticContact CZ-CD2 3.62Å; F95-F319 HydrophobicContact CZ-CD2 3.62Å; F95-F319 HydrophobicContact CZ-CG 4.01Å; M96-F319 HydrophobicContact CB-CB 4.13Å; M96-F319 HydrophobicContact CB-CD1 3.84Å; M96-F319 HydrophobicContact CB-CG 4.02Å; M96-F319 HydrophobicContact CE-CB 4.35Å; M96-F319 HydrophobicContact CG-CB 4.17Å; M96-F319 HydrophobicContact CG-CD1 4.12Å; M96-F319 HydrophobicContact CG-CG 4.42Å; G174-F319 VanDerWaalsContact C-CE2 3.48Å; G174-F319 WeakPolarHBondContact O-CE2 3.48Å; C178-F319 HydrophobicContact CB-CD2 4.03Å; C178-F319 HydrophobicContact CB-CE1 4.16Å; C178-F319 HydrophobicContact CB-CE2 3.45Å; C178-F319 VanDerWaalsContact CB-CE2 3.45Å; C178-F319 HydrophobicContact CB-CZ 3.55Å; F319-G321 PolarHBondContact O-N 3.37Å; F319-G321 VanDerWaalsContact O-N 3.14Å; F319-F322 HydrophobicContact CD1-CB 4.03Å; F319-F322 HydrophobicContact CE1-CB 4.11Å; F319-F322 PolarHBondContact O-N 2.96Å; F319-F322 VanDerWaalsContact O-N 3.14Å; F319-V328 HydrophobicContact CE1-CG2 3.77Å; F319-V328 HydrophobicContact CZ-CG2 3.48Å; F319-V328 VanDerWaalsContact CZ-CG2 3.48Å
320G97.8Very high97.3Very high0 Ų038.3 Ų38.30%022%0.219CC..G310 helixtrans63.722.1176.800000113.7C178 T179 G182 N186 T317 L318 F322C178-G320 WeakPolarHBondContact O-CA 3.25Å; T179-G320 VanDerWaalsContact O-CA 3.31Å; T179-G320 WeakPolarHBondContact O-CA 3.33Å; G182-G320 CarbonylContact C-O 3.59Å; G182-G320 WeakPolarHBondContact CA-O 3.18Å; N186-G320 WeakPolarHBondContact CB-O 3.49Å; N186-G320 PolarHBondContact ND2-O 3.24Å; T317-G320 VanDerWaalsContact OG1-CA 3.24Å; T317-G320 WeakPolarHBondContact OG1-CA 3.44Å; T317-G320 PolarHBondContact OG1-N 3.08Å; L318-G320 PolarHBondContact O-N 2.82Å; L318-G320 VanDerWaalsContact O-N 3.12Å; G320-F322 PolarHBondContact O-N 2.82Å; G320-F322 VanDerWaalsContact O-N 3.17Å
321G97.4Very high97.3Very high28 Ų2836 Ų3629%0.28920%0.204SC..G310 helixtrans69.66.1-176.300000114.9T317 L318 F319T317-G321 PolarHBondContact OG1-N 2.87Å; L318-G321 PolarHBondContact O-N 2.92Å; F319-G321 PolarHBondContact O-N 3.37Å; F319-G321 VanDerWaalsContact O-N 3.14Å
322F97.6Very high97.3Very high20 Ų2034.8 Ų34.89%0.08819%0.192CC..  trans-71.7133175-76.8-73.8000110.8N111 C178 Y181 N186 F319 G320 G324 M331N111-F322 WeakPolarHBondContact CB-O 3.39Å; N111-F322 PolarHBondContact ND2-O 2.79Å; C178-F322 HydrophobicContact CB-CD2 3.81Å; C178-F322 HydrophobicContact CB-CE2 4.27Å; C178-F322 WeakPolarHBondContact O-CD2 3.49Å; C178-F322 WeakPolarHBondContact O-CE2 3.22Å; Y181-F322 HydrophobicContact CD1-CE2 4.34Å; Y181-F322 HydrophobicContact CD1-CZ 4.11Å; N186-F322 WeakPolarHBondContact ND2-CE2 3.41Å; N186-F322 WeakPolarHBondContact ND2-CZ 3.43Å; F319-F322 HydrophobicContact CD1-CB 4.03Å; F319-F322 HydrophobicContact CE1-CB 4.11Å; F319-F322 PolarHBondContact O-N 2.96Å; F319-F322 VanDerWaalsContact O-N 3.14Å; G320-F322 PolarHBondContact O-N 2.82Å; G320-F322 VanDerWaalsContact O-N 3.17Å; F322-G324 PolarHBondContact O-N 2.75Å; F322-M331 HydrophobicContact CE1-CG 4.16Å; F322-M331 HydrophobicContact CE1-SD 4.27Å; F322-M331 HydrophobicContact CE2-CG 4.45Å; F322-M331 HydrophobicContact CE2-SD 4.4Å; F322-M331 HydrophobicContact CZ-CE 4.37Å; F322-M331 HydrophobicContact CZ-CG 3.98Å; F322-M331 HydrophobicContact CZ-SD 3.72Å
323K96.4Very high97.3Very high56 Ų5639.3 Ų39.324%0.24321%0.212CC..  trans-69.6117.5163.5-67.8-167177.1-174.90108Q98 C105 S107 N111 K325 D326 G327Q98-K323 HydrophobicContact CG-CB 4.41Å; C105-K323 PolarHBondContact O-NZ 3.26Å; S107-K323 WeakPolarHBondContact O-CE 3.48Å; S107-K323 PolarHBondContact O-NZ 2.62Å; N111-K323 HydrophobicContact CB-CG 4.28Å; K323-K325 PolarHBondContact O-N 2.82Å; K323-D326 PolarHBondContact O-N 2.87Å; K323-G327 WeakPolarHBondContact O-CA 3.4Å; K323-G327 PolarHBondContact O-N 3.3Å
324G93.8Very high97.3Very high0 Ų034.3 Ų34.30%019%0.194CC..Hα-helixtrans-44.3-63.2-162.700000115.2L94 F322 V328L94-G324 WeakPolarHBondContact CD1-O 3.41Å; F322-G324 PolarHBondContact O-N 2.75Å; G324-V328 VanDerWaalsContact O-CB 3.3Å; G324-V328 WeakPolarHBondContact O-CB 3.33Å; G324-V328 WeakPolarHBondContact O-CG2 3.28Å; G324-V328 PolarHBondContact O-N 3.34Å; G324-V328 VanDerWaalsContact O-N 3.16Å
325K95.4Very high97.3Very high11 Ų1133.4 Ų33.45%0.04819%0.191CC..Hα-helixtrans-62.6-50.2-173.9-60.9-17859.8169.20111.6E84 Q98 V158 K323 A329E84-K325 IonicContact OE1-NZ 3.74Å; E84-K325 PolarHBondContact OE1-NZ 2.88Å; E84-K325 IonicContact OE2-NZ 3.9Å; E84-K325 PolarHBondContact OE2-NZ 2.92Å; Q98-K325 HydrophobicContact CB-CB 4.38Å; Q98-K325 HydrophobicContact CB-CD 4.28Å; Q98-K325 HydrophobicContact CB-CG 3.99Å; Q98-K325 WeakPolarHBondContact O-CD 3.3Å; V158-K325 VanDerWaalsContact O-CE 3.29Å; V158-K325 WeakPolarHBondContact O-CE 3.38Å; V158-K325 VanDerWaalsContact O-CG 3.31Å; V158-K325 WeakPolarHBondContact O-CG 3.31Å; K323-K325 PolarHBondContact O-N 2.82Å; K325-A329 PolarHBondContact O-N 3.05Å
326D95.7Very high97.3Very high60 Ų6033.3 Ų33.332%0.32119%0.188SC..Hα-helixtrans-74.1-44.2-172.9-58.1-22.1000111.8Q98 R100 K323 Q330Q98-D326 PolarHBondContact NE2-OD2 3.25Å; R100-D326 IonicContact CZ-OD1 3.99Å; R100-D326 IonicContact NE-OD1 3.12Å; R100-D326 IonicContact NH2-OD1 3.74Å; R100-D326 PolarHBondContact NH2-OD1 3.4Å; K323-D326 PolarHBondContact O-N 2.87Å; D326-Q330 WeakPolarHBondContact O-CG 3.33Å; D326-Q330 PolarHBondContact O-N 3.07Å
327G96.9Very high97.3Very high3 Ų334.6 Ų34.63%0.03119%0.185CC..Hα-helixtrans-66.4-41.7-177.600000112.6K323 Q330 M331K323-G327 WeakPolarHBondContact O-CA 3.4Å; K323-G327 PolarHBondContact O-N 3.3Å; G327-Q330 PolarHBondContact O-N 3.17Å; G327-M331 VanDerWaalsContact O-CG 3.29Å; G327-M331 WeakPolarHBondContact O-CG 3.4Å; G327-M331 PolarHBondContact O-N 3.1Å
328V98.1Very high97.3Very high0 Ų044.8 Ų44.80%022%0.221CC..Hα-helixtrans-66.2-42.6179.4168.40000111.5I92 L94 A159 I173 F319 G324 Q330 M331 V332I92-V328 HydrophobicContact CB-CG1 4.17Å; I92-V328 HydrophobicContact CD1-CG1 3.74Å; I92-V328 HydrophobicContact CG2-CG1 4.17Å; L94-V328 HydrophobicContact CD1-CG2 4.19Å; L94-V328 HydrophobicContact CD2-CB 4.44Å; L94-V328 HydrophobicContact CD2-CG1 4.39Å; L94-V328 HydrophobicContact CD2-CG2 3.73Å; A159-V328 HydrophobicContact CB-CB 3.85Å; A159-V328 HydrophobicContact CB-CG1 3.69Å; I173-V328 HydrophobicContact CG2-CG1 4.08Å; I173-V328 HydrophobicContact CG2-CG2 4.49Å; F319-V328 HydrophobicContact CE1-CG2 3.77Å; F319-V328 HydrophobicContact CZ-CG2 3.48Å; F319-V328 VanDerWaalsContact CZ-CG2 3.48Å; G324-V328 VanDerWaalsContact O-CB 3.3Å; G324-V328 WeakPolarHBondContact O-CB 3.33Å; G324-V328 WeakPolarHBondContact O-CG2 3.28Å; G324-V328 PolarHBondContact O-N 3.34Å; G324-V328 VanDerWaalsContact O-N 3.16Å; V328-Q330 VanDerWaalsContact C-N 3.28Å; V328-Q330 PolarHBondContact O-N 3.4Å; V328-M331 PolarHBondContact O-N 2.9Å; V328-V332 HydrophobicContact CG1-CG2 4.5Å; V328-V332 WeakPolarHBondContact O-CG2 3.41Å; V328-V332 PolarHBondContact O-N 3.4Å
329A97.6Very high97.3Very high37 Ų3750.3 Ų50.331%0.30624%0.243SC..Hα-helixtrans-59.5-40.9175.500000111.8K325 V332 K333K325-A329 PolarHBondContact O-N 3.05Å; A329-V332 PolarHBondContact O-N 3.49Å; A329-K333 PolarHBondContact O-N 2.63Å
330Q97.9Very high97.3Very high129 Ų12950.6 Ų50.660%0.60325%0.245SC*.Hα-helixtrans-65.1-40.8175.2-70.5173.53.900112.6D326 G327 V328 K333 A334D326-Q330 WeakPolarHBondContact O-CG 3.33Å; D326-Q330 PolarHBondContact O-N 3.07Å; G327-Q330 PolarHBondContact O-N 3.17Å; V328-Q330 VanDerWaalsContact C-N 3.28Å; V328-Q330 PolarHBondContact O-N 3.4Å; Q330-K333 WeakPolarHBondContact O-CB 3.27Å; Q330-K333 PolarHBondContact O-N 3.44Å; Q330-A334 PolarHBondContact O-N 3Å
331M98.5Very high97.3Very high11 Ų1153.5 Ų53.55%0.05426%0.259CS..Hα-helixtrans-68.7-36.9178.6-69.8-65.9-76.300112.1I173 I177 Y181 F322 G327 V328 K333 A334 Y335 L340I173-M331 HydrophobicContact CG2-CB 3.6Å; I177-M331 HydrophobicContact CG2-CE 4.21Å; Y181-M331 HydrophobicContact CD1-CE 3.62Å; Y181-M331 HydrophobicContact CD1-SD 4.09Å; Y181-M331 HydrophobicContact CD2-CE 4.42Å; Y181-M331 HydrophobicContact CE1-CE 4.15Å; Y181-M331 HydrophobicContact CE1-SD 4.17Å; Y181-M331 HydrophobicContact CG-CE 3.77Å; F322-M331 HydrophobicContact CE1-CG 4.16Å; F322-M331 HydrophobicContact CE1-SD 4.27Å; F322-M331 HydrophobicContact CE2-CG 4.45Å; F322-M331 HydrophobicContact CE2-SD 4.4Å; F322-M331 HydrophobicContact CZ-CE 4.37Å; F322-M331 HydrophobicContact CZ-CG 3.98Å; F322-M331 HydrophobicContact CZ-SD 3.72Å; G327-M331 VanDerWaalsContact O-CG 3.29Å; G327-M331 WeakPolarHBondContact O-CG 3.4Å; G327-M331 PolarHBondContact O-N 3.1Å; V328-M331 PolarHBondContact O-N 2.9Å; M331-K333 VanDerWaalsContact C-N 3.34Å; M331-A334 PolarHBondContact O-N 3.22Å; M331-Y335 PolarHBondContact O-N 2.8Å; M331-L340 HydrophobicContact CB-CD2 4.35Å; M331-L340 HydrophobicContact CE-CD1 3.57Å; M331-L340 HydrophobicContact CE-CD2 3.63Å; M331-L340 HydrophobicContact CE-CG 4.27Å; M331-L340 HydrophobicContact SD-CD2 4.5Å
332V98.6Very high97.4Very high1 Ų152.2 Ų52.21%0.00625%0.245CC..Hα-helixtrans-61.9-43.6170.6171.40000110.8I92 I161 A165 V170 I173 V328 A329 A334 Y335 L336I92-V332 HydrophobicContact CD1-CG2 3.87Å; I161-V332 HydrophobicContact CB-CB 4.47Å; I161-V332 HydrophobicContact CB-CG1 4.18Å; I161-V332 HydrophobicContact CB-CG2 4.29Å; I161-V332 HydrophobicContact CD1-CG1 4.46Å; I161-V332 HydrophobicContact CD1-CG2 4.41Å; I161-V332 HydrophobicContact CG2-CB 4.38Å; I161-V332 HydrophobicContact CG2-CG2 3.87Å; A165-V332 HydrophobicContact CB-CG1 3.81Å; V170-V332 HydrophobicContact CB-CG2 4.14Å; V170-V332 HydrophobicContact CG1-CG1 4.28Å; V170-V332 HydrophobicContact CG1-CG2 4.3Å; I173-V332 HydrophobicContact CD1-CB 4.5Å; I173-V332 HydrophobicContact CD1-CG2 3.8Å; I173-V332 HydrophobicContact CG2-CG2 4.49Å; V328-V332 HydrophobicContact CG1-CG2 4.5Å; V328-V332 WeakPolarHBondContact O-CG2 3.41Å; V328-V332 PolarHBondContact O-N 3.4Å; A329-V332 PolarHBondContact O-N 3.49Å; V332-A334 VanDerWaalsContact C-N 3.33Å; V332-A334 PolarHBondContact O-N 3.41Å; V332-Y335 WeakPolarHBondContact O-CB 3.4Å; V332-Y335 PolarHBondContact O-N 3.07Å; V332-L336 HydrophobicContact CG1-CD1 4.32Å; V332-L336 PolarHBondContact O-N 3.32Å
333K98.2Very high97.4Very high118 Ų11854.6 Ų54.651%0.51326%0.259SS..Hα-helixtrans-60.8-43.4174.5-171.3-173.3-174.9-49.40111.6A329 Q330 M331 Y335 L336 D337A329-K333 PolarHBondContact O-N 2.63Å; Q330-K333 WeakPolarHBondContact O-CB 3.27Å; Q330-K333 PolarHBondContact O-N 3.44Å; M331-K333 VanDerWaalsContact C-N 3.34Å; K333-Y335 VanDerWaalsContact C-N 3.26Å; K333-Y335 PolarHBondContact O-N 3.03Å; K333-L336 PolarHBondContact O-N 2.88Å; K333-D337 IonicContact NZ-OD1 3.59Å; K333-D337 PolarHBondContact NZ-OD1 2.98Å; K333-D337 IonicContact NZ-OD2 2.7Å; K333-D337 PolarHBondContact NZ-OD2 2.99Å; K333-D337 WeakPolarHBondContact O-CB 3.36Å; K333-D337 VanDerWaalsContact O-CG 3.29Å; K333-D337 PolarHBondContact O-N 3.3Å
334A98.1Very high97.3Very high23 Ų2354.5 Ų54.519%0.1926%0.259CS..Hα-helixtrans-60.8-36.7177.200000112.1Q330 M331 V332 R338 K339 L340Q330-A334 PolarHBondContact O-N 3Å; M331-A334 PolarHBondContact O-N 3.22Å; V332-A334 VanDerWaalsContact C-N 3.33Å; V332-A334 PolarHBondContact O-N 3.41Å; A334-R338 PolarHBondContact O-N 2.67Å; A334-K339 HydrophobicContact CB-CB 4.39Å; A334-K339 WeakPolarHBondContact O-CA 3.5Å; A334-K339 WeakPolarHBondContact O-CB 3.33Å; A334-K339 PolarHBondContact O-N 3.43Å; A334-L340 HydrophobicContact CB-CB 4.11Å; A334-L340 PolarHBondContact O-N 2.98Å
335Y98.6Very high97.4Very high34 Ų3454.5 Ų54.513%0.13326%0.259CS..Hα-helixtrans-63.7-49.4172.5168.9-107.1000112.2P166 R169 V170 M331 V332 K333 D337 R338 V342 D343P166-Y335 HydrophobicContact CG-CE1 3.65Å; R169-Y335 HydrophobicContact CB-CE1 4.36Å; R169-Y335 WeakPolarHBondContact CG-OH 3.43Å; V170-Y335 HydrophobicContact CG1-CD1 3.64Å; V170-Y335 HydrophobicContact CG1-CE1 3.89Å; V170-Y335 HydrophobicContact CG1-CG 4.46Å; M331-Y335 PolarHBondContact O-N 2.8Å; V332-Y335 WeakPolarHBondContact O-CB 3.4Å; V332-Y335 PolarHBondContact O-N 3.07Å; K333-Y335 VanDerWaalsContact C-N 3.26Å; K333-Y335 PolarHBondContact O-N 3.03Å; Y335-D337 VanDerWaalsContact C-N 3.27Å; Y335-D337 PolarHBondContact O-N 3.09Å; Y335-R338 WeakPolarHBondContact O-CA 3.43Å; Y335-R338 PolarHBondContact O-N 3.01Å; Y335-V342 HydrophobicContact CD2-CB 3.64Å; Y335-V342 HydrophobicContact CD2-CG2 3.38Å; Y335-V342 HydrophobicContact CE2-CB 3.68Å; Y335-V342 HydrophobicContact CE2-CG2 3.98Å; Y335-V342 HydrophobicContact CG-CB 4.47Å; Y335-V342 HydrophobicContact CG-CG2 3.91Å; Y335-D343 VanDerWaalsContact CE2-OD1 3.23Å; Y335-D343 WeakPolarHBondContact CE2-OD1 3.35Å; Y335-D343 PolarHBondContact OH-OD1 3.34Å
336L98.3Very high97.5Very high60 Ų6055 Ų5531%0.31426%0.262SS..Hα-helixtrans-61.4-35.8177.2-68.8176.5000112.6D162 V332 K333 R338D162-L336 HydrophobicContact CB-CD1 3.67Å; V332-L336 HydrophobicContact CG1-CD1 4.32Å; V332-L336 PolarHBondContact O-N 3.32Å; K333-L336 PolarHBondContact O-N 2.88Å; L336-R338 PolarHBondContact O-N 3.21Å
337D98Very high97.5Very high72 Ų7254.8 Ų54.839%0.38526%0.263SS..THydrogen-bonded Turntrans-74.62173.7-68.8-3.9000113K333 Y335 K339K333-D337 IonicContact NZ-OD1 3.59Å; K333-D337 PolarHBondContact NZ-OD1 2.98Å; K333-D337 IonicContact NZ-OD2 2.7Å; K333-D337 PolarHBondContact NZ-OD2 2.99Å; K333-D337 WeakPolarHBondContact O-CB 3.36Å; K333-D337 VanDerWaalsContact O-CG 3.29Å; K333-D337 PolarHBondContact O-N 3.3Å; Y335-D337 VanDerWaalsContact C-N 3.27Å; Y335-D337 PolarHBondContact O-N 3.09Å; D337-K339 HydrophobicContact CB-CD 4.18Å; D337-K339 HydrophobicContact CB-CG 4.17Å; D337-K339 PolarHBondContact O-N 3.25Å
338R97Very high97.5Very high234 Ų23457.2 Ų57.288%0.88327%0.274SS*.THydrogen-bonded Turntrans58.825.8-175.9-53.3-178.7-179.9-177.3-1.2114.7A334 Y335 L336A334-R338 PolarHBondContact O-N 2.67Å; Y335-R338 WeakPolarHBondContact O-CA 3.43Å; Y335-R338 PolarHBondContact O-N 3.01Å; L336-R338 PolarHBondContact O-N 3.21Å
339K96.7Very high97.5Very high159 Ų15961.8 Ų61.869%0.69130%0.298SS*.  trans-93.1-10.7175-64.4177-178.9170.40112.9A334 D337A334-K339 HydrophobicContact CB-CB 4.39Å; A334-K339 WeakPolarHBondContact O-CA 3.5Å; A334-K339 WeakPolarHBondContact O-CB 3.33Å; A334-K339 PolarHBondContact O-N 3.43Å; D337-K339 HydrophobicContact CB-CD 4.18Å; D337-K339 HydrophobicContact CB-CG 4.17Å; D337-K339 PolarHBondContact O-N 3.25Å
340L97.4Very high97.5Very high7 Ų761 Ų614%0.03729%0.289CS..SBendtrans-128.3130.9178.5-172.175.1000109.3I173 I177 Y181 M210 M331 A334 V342I173-L340 HydrophobicContact CD1-CD2 4.29Å; I177-L340 HydrophobicContact CG2-CD1 4.32Å; I177-L340 HydrophobicContact CG2-CD2 4.02Å; I177-L340 HydrophobicContact CG2-CG 4.47Å; Y181-L340 HydrophobicContact CD2-CD1 3.96Å; Y181-L340 HydrophobicContact CE2-CD1 4.05Å; M210-L340 HydrophobicContact CE-CD1 3.39Å; M210-L340 HydrophobicContact CE-CG 4.18Å; M210-L340 HydrophobicContact SD-CD1 3.8Å; M210-L340 HydrophobicContact SD-CG 4.45Å; M331-L340 HydrophobicContact CB-CD2 4.35Å; M331-L340 HydrophobicContact CE-CD1 3.57Å; M331-L340 HydrophobicContact CE-CD2 3.63Å; M331-L340 HydrophobicContact CE-CG 4.27Å; M331-L340 HydrophobicContact SD-CD2 4.5Å; A334-L340 HydrophobicContact CB-CB 4.11Å; A334-L340 PolarHBondContact O-N 2.98Å; L340-V342 HydrophobicContact CD2-CG2 3.92Å; L340-V342 HydrophobicContact CG-CG2 4.14Å
341M97.8Very high97.5Very high60 Ų6062 Ų6230%0.29629%0.287SS..  trans-90.2128.2174.8-69.2175.480.600108.7M210 V235 L236 E344 F345M210-M341 HydrophobicContact SD-CB 3.81Å; V235-M341 HydrophobicContact CG1-CE 3.83Å; L236-M341 HydrophobicContact CD2-CB 3.85Å; L236-M341 HydrophobicContact CD2-CE 4.16Å; L236-M341 HydrophobicContact CD2-SD 4.03Å; M341-E344 VanDerWaalsContact CB-OE2 3.26Å; M341-E344 WeakPolarHBondContact CB-OE2 3.36Å; M341-E344 HydrophobicContact CE-CG 3.69Å; M341-E344 WeakPolarHBondContact CE-OE1 3.48Å; M341-F345 VanDerWaalsContact O-CE2 3.31Å; M341-F345 WeakPolarHBondContact O-CE2 3.47Å
342V98Very high97.5Very high1 Ų161.7 Ų61.71%0.00629%0.285CS..  trans-133.4-45.8-175.2175.50000109.8R169 I173 I177 Y335 L340 E344 F345R169-V342 HydrophobicContact CB-CG1 4.21Å; R169-V342 WeakPolarHBondContact O-CG1 3.24Å; I173-V342 HydrophobicContact CD1-CG2 4.23Å; I173-V342 HydrophobicContact CG1-CG2 4.36Å; I177-V342 HydrophobicContact CD1-CB 4.09Å; I177-V342 HydrophobicContact CD1-CG1 3.69Å; I177-V342 HydrophobicContact CD1-CG2 3.86Å; Y335-V342 HydrophobicContact CD2-CB 3.64Å; Y335-V342 HydrophobicContact CD2-CG2 3.38Å; Y335-V342 HydrophobicContact CE2-CB 3.68Å; Y335-V342 HydrophobicContact CE2-CG2 3.98Å; Y335-V342 HydrophobicContact CG-CB 4.47Å; Y335-V342 HydrophobicContact CG-CG2 3.91Å; L340-V342 HydrophobicContact CD2-CG2 3.92Å; L340-V342 HydrophobicContact CG-CG2 4.14Å; V342-E344 PolarHBondContact N-OE2 2.65Å; V342-E344 PolarHBondContact O-N 3.38Å; V342-E344 VanDerWaalsContact O-N 3.14Å; V342-F345 WeakPolarHBondContact O-CB 3.48Å; V342-F345 WeakPolarHBondContact O-CD2 3.16Å; V342-F345 PolarHBondContact O-N 3.15Å
343D97.4Very high97.5Very high70 Ų7065.4 Ų65.437%0.37430%0.303SS..G310 helixtrans-53.8-36-179.6-65.925000112.1R169 Y335 F345 I346R169-D343 WeakPolarHBondContact CD-OD1 3.05Å; R169-D343 IonicContact NE-OD1 2.72Å; R169-D343 IonicContact NE-OD2 3.2Å; Y335-D343 VanDerWaalsContact CE2-OD1 3.23Å; Y335-D343 WeakPolarHBondContact CE2-OD1 3.35Å; Y335-D343 PolarHBondContact OH-OD1 3.34Å; D343-F345 PolarHBondContact O-N 3.16Å; D343-I346 PolarHBondContact O-N 3.38Å
344E95.4Very high97.5Very high55 Ų5562.5 Ų62.526%0.25729%0.291SS..G310 helixtrans-66.4-20.8-176.9-63.980.5179.700113.5K232 L236 M341 V342 I346K232-E344 HydrophobicContact CD-CB 4.09Å; K232-E344 WeakPolarHBondContact CD-O 3.17Å; K232-E344 VanDerWaalsContact CE-O 3.29Å; K232-E344 WeakPolarHBondContact CE-O 3.33Å; K232-E344 PolarHBondContact NZ-O 3.32Å; L236-E344 HydrophobicContact CD2-CB 4.45Å; M341-E344 VanDerWaalsContact CB-OE2 3.26Å; M341-E344 WeakPolarHBondContact CB-OE2 3.36Å; M341-E344 HydrophobicContact CE-CG 3.69Å; M341-E344 WeakPolarHBondContact CE-OE1 3.48Å; V342-E344 PolarHBondContact N-OE2 2.65Å; V342-E344 PolarHBondContact O-N 3.38Å; V342-E344 VanDerWaalsContact O-N 3.14Å; E344-I346 VanDerWaalsContact C-N 3.32Å
345F96.7Very high97.5Very high0 Ų061.4 Ų61.40%028%0.282CS..G310 helixtrans-77.4-22.4176.2-68.1-101000111.9L172 I177 A203 L206 A207 M210 L236 M341 V342 D343 T347 I368 R369L172-F345 HydrophobicContact CD1-CB 3.98Å; I177-F345 HydrophobicContact CD1-CD2 4.4Å; A203-F345 HydrophobicContact CB-CD1 4.02Å; A203-F345 VanDerWaalsContact O-CE1 3.31Å; A203-F345 WeakPolarHBondContact O-CE1 3.44Å; L206-F345 HydrophobicContact CB-CD1 4.28Å; L206-F345 HydrophobicContact CB-CE1 3.51Å; L206-F345 HydrophobicContact CB-CZ 4.09Å; A207-F345 HydrophobicContact CB-CE1 4.05Å; A207-F345 HydrophobicContact CB-CZ 4.06Å; M210-F345 HydrophobicContact CE-CE2 4.12Å; M210-F345 HydrophobicContact CE-CZ 4.11Å; L236-F345 HydrophobicContact CD1-CE1 4.23Å; L236-F345 HydrophobicContact CD1-CE2 3.97Å; L236-F345 HydrophobicContact CD1-CZ 3.69Å; L236-F345 HydrophobicContact CD2-CE2 3.97Å; L236-F345 HydrophobicContact CD2-CZ 4.34Å; M341-F345 VanDerWaalsContact O-CE2 3.31Å; M341-F345 WeakPolarHBondContact O-CE2 3.47Å; V342-F345 WeakPolarHBondContact O-CB 3.48Å; V342-F345 WeakPolarHBondContact O-CD2 3.16Å; V342-F345 PolarHBondContact O-N 3.15Å; D343-F345 PolarHBondContact O-N 3.16Å; F345-T347 PolarHBondContact O-N 2.77Å; F345-I368 HydrophobicContact CB-CG2 4.44Å; F345-I368 HydrophobicContact CD1-CG2 4.3Å; F345-I368 WeakPolarHBondContact O-CG2 3.26Å; F345-R369 WeakPolarHBondContact O-CB 3.27Å; F345-R369 PolarHBondContact O-N 2.86Å; F345-R369 VanDerWaalsContact O-N 3.15Å
346I96.7Very high97.5Very high21 Ų2162.4 Ų62.411%0.10829%0.289CS..EExtended strand (participates in β ladder)trans-85.6107.6-176-57.4166.7000108.6D168 R169 L172 D343 E344 V371D168-I346 WeakPolarHBondContact O-CD1 3.1Å; R169-I346 HydrophobicContact CG-CD1 4.48Å; L172-I346 HydrophobicContact CD1-CD1 4.24Å; L172-I346 HydrophobicContact CD1-CG1 3.6Å; D343-I346 PolarHBondContact O-N 3.38Å; E344-I346 VanDerWaalsContact C-N 3.32Å; I346-V371 HydrophobicContact CD1-CG2 4Å; I346-V371 HydrophobicContact CG1-CG2 3.83Å; I346-V371 HydrophobicContact CG2-CB 4.36Å; I346-V371 HydrophobicContact CG2-CG2 4.01Å
347T95.5Very high97.5Very high55 Ų5564 Ų6434%0.33730%0.296SS..EExtended strand (participates in β ladder)trans-98.2-24.2178.849.50000112.5F345 C367 I368 R369F345-T347 PolarHBondContact O-N 2.77Å; T347-C367 PolarHBondContact OG1-SG 2.88Å; T347-I368 HydrophobicContact CG2-CB 3.85Å; T347-I368 HydrophobicContact CG2-CD1 3.87Å; T347-I368 HydrophobicContact CG2-CG1 3.96Å; T347-I368 PolarHBondContact OG1-N 2.81Å; T347-I368 VanDerWaalsContact OG1-N 3.13Å; T347-R369 PolarHBondContact N-O 2.97Å; T347-R369 PolarHBondContact OG1-O 2.84Å
348H97.2Very high97.5Very high54 Ų5460.6 Ų60.625%0.2528%0.277CS..EExtended strand (participates in β ladder)trans-140.9135.9-175.7-62.480000109.8L361 R366 R369 A370 V371H348-L361 HydrophobicContact CB-CD1 4.5Å; H348-R366 PolarHBondContact CE1-O 2.85Å; H348-R369 PolarHBondContact N-O 2.9Å; H348-A370 HydrophobicContact CB-CB 4.09Å; H348-A370 WeakPolarHBondContact O-CA 3.48Å; H348-V371 PolarHBondContact O-N 3.04Å
349N98.1Very high97.4Very high97 Ų9749.7 Ų49.752%0.51924%0.237SC..EExtended strand (participates in β ladder)trans-115.7121.7168.5-69.4-73.6000107.7V371N349-V371 WeakPolarHBondContact CA-O 3.26Å
350L98.1Very high97.4Very high20 Ų2046.1 Ų46.111%0.10522%0.222CC..EExtended strand (participates in β ladder)trans-131174.4-177.1-63.9172.1000109.4Q354 E357 A358 L361 V371 L372 S373L350-Q354 HydrophobicContact CB-CB 4.15Å; L350-Q354 HydrophobicContact CD2-CB 4.49Å; L350-E357 HydrophobicContact CD1-CB 4.45Å; L350-A358 HydrophobicContact CD1-CB 3.77Å; L350-L361 HydrophobicContact CD1-CD1 4.17Å; L350-V371 PolarHBondContact N-O 2.82Å; L350-L372 HydrophobicContact CB-CD2 3.76Å; L350-L372 CarbonylContact O-C 3.52Å; L350-L372 VanDerWaalsContact O-CA 3.28Å; L350-L372 WeakPolarHBondContact O-CA 3.49Å; L350-S373 PolarHBondContact O-N 3.21Å
351R98.1Very high97.3Very high151 Ų15146.5 Ų46.557%0.5722%0.224SC*.EExtended strand (participates in β ladder)trans-97.4160.2169.8-60.8-178.5-65.6166.83.1110.6E353 Q354R351-E353 WeakPolarHBondContact CB-OE2 3.41Å; R351-E353 PolarHBondContact O-N 3.34Å; R351-E353 VanDerWaalsContact O-N 3.17Å; R351-Q354 WeakPolarHBondContact O-CA 3.48Å; R351-Q354 WeakPolarHBondContact O-CB 3.38Å; R351-Q354 PolarHBondContact O-N 3.43Å
352L98.3Very high97Very high4 Ų444.4 Ų44.42%0.02121%0.214CC..G310 helixtrans-51.6-39176-179.964.7000112.2K11 A13 I24 F147 Q354 I355 L372 S373 V374K11-L352 HydrophobicContact CB-CD2 4.39Å; A13-L352 HydrophobicContact CB-CD1 4.2Å; I24-L352 HydrophobicContact CD1-CG 4.31Å; F147-L352 HydrophobicContact CB-CD1 4.33Å; L352-Q354 PolarHBondContact O-N 3.16Å; L352-Q354 VanDerWaalsContact O-N 3.12Å; L352-I355 WeakPolarHBondContact O-CB 3.43Å; L352-I355 WeakPolarHBondContact O-CG2 3.22Å; L352-I355 PolarHBondContact O-N 2.97Å; L352-I355 VanDerWaalsContact O-N 3.09Å; L352-L372 HydrophobicContact CD1-CD1 4.26Å; L352-S373 PolarHBondContact N-O 2.68Å; L352-V374 HydrophobicContact CD2-CG1 4.26Å
353E98.1Very high96.7Very high79 Ų7949.1 Ų49.137%0.36923%0.234SC..G310 helixtrans-62.5-20.2178.6-64.484.317600113.9K11 R351K11-E353 IonicContact NZ-OE1 3.48Å; K11-E353 PolarHBondContact NZ-OE1 3.24Å; R351-E353 WeakPolarHBondContact CB-OE2 3.41Å; R351-E353 PolarHBondContact O-N 3.34Å; R351-E353 VanDerWaalsContact O-N 3.17Å
354Q98.4Very high96.4Very high57 Ų5750.3 Ų50.327%0.26624%0.241SC..G310 helixtrans-96.716.9179.2-63.8172.8-96.200112.3L350 R351 L352 N356 E357 A358L350-Q354 HydrophobicContact CB-CB 4.15Å; L350-Q354 HydrophobicContact CD2-CB 4.49Å; R351-Q354 WeakPolarHBondContact O-CA 3.48Å; R351-Q354 WeakPolarHBondContact O-CB 3.38Å; R351-Q354 PolarHBondContact O-N 3.43Å; L352-Q354 PolarHBondContact O-N 3.16Å; L352-Q354 VanDerWaalsContact O-N 3.12Å; Q354-N356 VanDerWaalsContact C-N 3.26Å; Q354-N356 PolarHBondContact O-N 3.24Å; Q354-E357 HydrophobicContact CB-CB 4.4Å; Q354-E357 PolarHBondContact NE2-OE2 3.4Å; Q354-E357 WeakPolarHBondContact O-CA 3.43Å; Q354-E357 WeakPolarHBondContact O-CB 3.46Å; Q354-E357 PolarHBondContact O-N 2.97Å; Q354-A358 PolarHBondContact O-N 2.85Å
355I98.3Very high96Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-56-36.5-176.7-171.4161.4000114.1A13 L22 I24 F147 L352 E357 A358 V359 L372A13-I355 HydrophobicContact CB-CD1 3.77Å; A13-I355 HydrophobicContact CB-CG2 3.86Å; L22-I355 HydrophobicContact CB-CG2 4.16Å; L22-I355 HydrophobicContact CD1-CG1 4.39Å; L22-I355 HydrophobicContact CD2-CD1 4.07Å; I24-I355 HydrophobicContact CD1-CG2 4.26Å; F147-I355 HydrophobicContact CB-CD1 4.05Å; F147-I355 HydrophobicContact CD1-CD1 4.04Å; F147-I355 HydrophobicContact CD2-CD1 3.31Å; F147-I355 HydrophobicContact CE1-CD1 4.32Å; F147-I355 HydrophobicContact CE2-CD1 3.65Å; F147-I355 HydrophobicContact CG-CD1 3.55Å; F147-I355 HydrophobicContact CZ-CD1 4.15Å; L352-I355 WeakPolarHBondContact O-CB 3.43Å; L352-I355 WeakPolarHBondContact O-CG2 3.22Å; L352-I355 PolarHBondContact O-N 2.97Å; L352-I355 VanDerWaalsContact O-N 3.09Å; I355-E357 VanDerWaalsContact C-N 3.28Å; I355-E357 PolarHBondContact O-N 3.42Å; I355-A358 WeakPolarHBondContact O-CB 3.49Å; I355-A358 PolarHBondContact O-N 2.92Å; I355-A358 VanDerWaalsContact O-N 3.16Å; I355-V359 WeakPolarHBondContact O-CG2 3.31Å; I355-V359 PolarHBondContact O-N 3.4Å; I355-L372 HydrophobicContact CB-CD1 4Å; I355-L372 HydrophobicContact CD1-CD1 3.88Å; I355-L372 HydrophobicContact CG1-CD1 3.85Å
356N98.3Very high95.7Very high54 Ų5456.6 Ų56.629%0.28927%0.27SS..Hα-helixtrans-67.6-30.5177.2-70-53.8000112L22 Q354 V359 E360L22-N356 PolarHBondContact N-OD1 2.85Å; L22-N356 PolarHBondContact O-ND2 3Å; Q354-N356 VanDerWaalsContact C-N 3.26Å; Q354-N356 PolarHBondContact O-N 3.24Å; N356-V359 PolarHBondContact O-N 3.46Å; N356-E360 WeakPolarHBondContact O-CG 3.33Å; N356-E360 PolarHBondContact O-N 3.38Å
357E98.1Very high95.5Very high95 Ų9556.2 Ų56.244%0.44427%0.269SS..Hα-helixtrans-64-43.7171.3-171.1-174.4161.100110.4L350 Q354 I355 V359 E360 L361L350-E357 HydrophobicContact CD1-CB 4.45Å; Q354-E357 HydrophobicContact CB-CB 4.4Å; Q354-E357 PolarHBondContact NE2-OE2 3.4Å; Q354-E357 WeakPolarHBondContact O-CA 3.43Å; Q354-E357 WeakPolarHBondContact O-CB 3.46Å; Q354-E357 PolarHBondContact O-N 2.97Å; I355-E357 VanDerWaalsContact C-N 3.28Å; I355-E357 PolarHBondContact O-N 3.42Å; E357-V359 VanDerWaalsContact C-N 3.33Å; E357-V359 PolarHBondContact O-N 3.46Å; E357-E360 PolarHBondContact O-N 3.26Å; E357-L361 HydrophobicContact CG-CD1 4.35Å; E357-L361 VanDerWaalsContact O-CG 3.31Å; E357-L361 WeakPolarHBondContact O-CG 3.49Å; E357-L361 PolarHBondContact O-N 3.08Å
358A97.3Very high95.3Very high0 Ų054.3 Ų54.30%026%0.257CS..Hα-helixtrans-60.4-41.9175.100000112.3V46 L350 Q354 I355 L361 M362 A370 L372V46-A358 HydrophobicContact CB-CB 4.37Å; V46-A358 HydrophobicContact CG2-CB 3.87Å; L350-A358 HydrophobicContact CD1-CB 3.77Å; Q354-A358 PolarHBondContact O-N 2.85Å; I355-A358 WeakPolarHBondContact O-CB 3.49Å; I355-A358 PolarHBondContact O-N 2.92Å; I355-A358 VanDerWaalsContact O-N 3.16Å; A358-L361 PolarHBondContact O-N 3.39Å; A358-M362 WeakPolarHBondContact O-CB 3.45Å; A358-M362 VanDerWaalsContact O-CG 3.27Å; A358-M362 WeakPolarHBondContact O-CG 3.24Å; A358-M362 PolarHBondContact O-N 3.47Å; A358-A370 HydrophobicContact CB-CB 3.89Å; A358-L372 HydrophobicContact CB-CD2 4.08Å
359V96.3Very high95.2Very high5 Ų552.2 Ų52.23%0.0325%0.247CC..Hα-helixtrans-59.5-46.8175.1169.20000110.8L22 L51 I355 N356 E357 M362 K363L22-V359 HydrophobicContact CD1-CG2 3.95Å; L51-V359 HydrophobicContact CD1-CG1 4.49Å; L51-V359 HydrophobicContact CD1-CG2 4.08Å; L51-V359 HydrophobicContact CD2-CG1 4.39Å; L51-V359 HydrophobicContact CG-CG1 4.21Å; I355-V359 WeakPolarHBondContact O-CG2 3.31Å; I355-V359 PolarHBondContact O-N 3.4Å; N356-V359 PolarHBondContact O-N 3.46Å; E357-V359 VanDerWaalsContact C-N 3.33Å; E357-V359 PolarHBondContact O-N 3.46Å; V359-M362 PolarHBondContact O-N 3.09Å; V359-K363 HydrophobicContact CG1-CD 4.23Å; V359-K363 HydrophobicContact CG1-CG 4.49Å; V359-K363 WeakPolarHBondContact O-CG 3.47Å; V359-K363 PolarHBondContact O-N 2.76Å
360E96.3Very high95.2Very high83 Ų8347.6 Ų47.639%0.38822%0.222SC..Hα-helixtrans-68.7-36.9179.6-69.6-53.5124.700112.9N356 E357 M362 K363 N364N356-E360 WeakPolarHBondContact O-CG 3.33Å; N356-E360 PolarHBondContact O-N 3.38Å; E357-E360 PolarHBondContact O-N 3.26Å; E360-M362 VanDerWaalsContact C-N 3.32Å; E360-M362 PolarHBondContact O-N 2.8Å; E360-K363 PolarHBondContact O-N 3.21Å; E360-K363 WeakPolarHBondContact OE1-CD 3.45Å; E360-K363 IonicContact OE1-NZ 3.45Å; E360-K363 PolarHBondContact OE1-NZ 2.91Å; E360-N364 WeakPolarHBondContact O-CB 3.49Å; E360-N364 PolarHBondContact O-N 3.34Å; E360-N364 VanDerWaalsContact O-N 3.12Å; E360-N364 PolarHBondContact O-ND2 3.34Å
361L94.9Very high95.2Very high16 Ų1646.8 Ų46.88%0.08422%0.218CC..Hα-helixtrans-60.8-42.5173.1-73.1167.9000111.8H348 L350 E357 A358 G365 R366 C367H348-L361 HydrophobicContact CB-CD1 4.5Å; L350-L361 HydrophobicContact CD1-CD1 4.17Å; E357-L361 HydrophobicContact CG-CD1 4.35Å; E357-L361 VanDerWaalsContact O-CG 3.31Å; E357-L361 WeakPolarHBondContact O-CG 3.49Å; E357-L361 PolarHBondContact O-N 3.08Å; A358-L361 PolarHBondContact O-N 3.39Å; L361-G365 PolarHBondContact O-N 2.89Å; L361-R366 HydrophobicContact CD2-CB 4.38Å; L361-R366 PolarHBondContact O-N 2.7Å; L361-R366 VanDerWaalsContact O-N 3.08Å; L361-C367 HydrophobicContact CB-CB 3.99Å
362M91.7Very high95.2Very high15 Ų1539.6 Ų39.67%0.07419%0.191CC..Hα-helixtrans-67.2-47.5177.4-72.6-72-68.800112.2L51 A358 V359 E360 N364 G365 C367L51-M362 HydrophobicContact CD2-CB 3.63Å; A358-M362 WeakPolarHBondContact O-CB 3.45Å; A358-M362 VanDerWaalsContact O-CG 3.27Å; A358-M362 WeakPolarHBondContact O-CG 3.24Å; A358-M362 PolarHBondContact O-N 3.47Å; V359-M362 PolarHBondContact O-N 3.09Å; E360-M362 VanDerWaalsContact C-N 3.32Å; E360-M362 PolarHBondContact O-N 2.8Å; M362-N364 PolarHBondContact O-N 3.12Å; M362-G365 PolarHBondContact O-N 2.73Å; M362-G365 VanDerWaalsContact O-N 3.09Å; M362-C367 HydrophobicContact CG-CB 4.2Å; M362-C367 HydrophobicContact SD-CB 3.76Å
363K91.1Very high95.2Very high101 Ų10142.7 Ų42.744%0.43921%0.213SC..Hα-helixtrans-57.7-38.2177.9-76.5178.7-174.1166.10112.7L51 V359 E360 G365L51-K363 HydrophobicContact CD2-CG 3.93Å; V359-K363 HydrophobicContact CG1-CD 4.23Å; V359-K363 HydrophobicContact CG1-CG 4.49Å; V359-K363 WeakPolarHBondContact O-CG 3.47Å; V359-K363 PolarHBondContact O-N 2.76Å; E360-K363 PolarHBondContact O-N 3.21Å; E360-K363 WeakPolarHBondContact OE1-CD 3.45Å; E360-K363 IonicContact OE1-NZ 3.45Å; E360-K363 PolarHBondContact OE1-NZ 2.91Å; K363-G365 VanDerWaalsContact C-N 3.27Å; K363-G365 PolarHBondContact O-N 3.3Å
364N91.1Very high95.1Very high95 Ų9539.6 Ų39.651%0.50820%0.199SC..THydrogen-bonded Turntrans-86.17.2-178.3-66.8-53.4000113.5E360 M362 R366E360-N364 WeakPolarHBondContact O-CB 3.49Å; E360-N364 PolarHBondContact O-N 3.34Å; E360-N364 VanDerWaalsContact O-N 3.12Å; E360-N364 PolarHBondContact O-ND2 3.34Å; M362-N364 PolarHBondContact O-N 3.12Å; N364-R366 HydrophobicContact CB-CG 4.46Å; N364-R366 PolarHBondContact O-N 2.81Å; N364-R366 VanDerWaalsContact O-N 3.15Å
365G88.4Confident94.8Very high26 Ų2637.1 Ų37.127%0.26819%0.188SC..THydrogen-bonded Turntrans67.113.8176.900000114.9N226 L361 M362 K363 C367N226-G365 PolarHBondContact ND2-O 2.77Å; L361-G365 PolarHBondContact O-N 2.89Å; M362-G365 PolarHBondContact O-N 2.73Å; M362-G365 VanDerWaalsContact O-N 3.09Å; K363-G365 VanDerWaalsContact C-N 3.27Å; K363-G365 PolarHBondContact O-N 3.3Å; G365-C367 VanDerWaalsContact C-N 3.29Å
366R90.2Very high94.1Very high161 Ų16142 Ų4261%0.60822%0.22SC*.  trans-89.28.2-179.4-65.9-173.5-68.7163.9-1.3113H348 L361 N364H348-R366 PolarHBondContact CE1-O 2.85Å; L361-R366 HydrophobicContact CD2-CB 4.38Å; L361-R366 PolarHBondContact O-N 2.7Å; L361-R366 VanDerWaalsContact O-N 3.08Å; N364-R366 HydrophobicContact CB-CG 4.46Å; N364-R366 PolarHBondContact O-N 2.81Å; N364-R366 VanDerWaalsContact O-N 3.15Å
367C91.4Very high92.8Very high13 Ų1346.7 Ų46.79%0.08824%0.24CC..  trans-139.3137.8-173.1-176.20000110.9T347 L361 M362 G365 A370T347-C367 PolarHBondContact OG1-SG 2.88Å; L361-C367 HydrophobicContact CB-CB 3.99Å; M362-C367 HydrophobicContact CG-CB 4.2Å; M362-C367 HydrophobicContact SD-CB 3.76Å; G365-C367 VanDerWaalsContact C-N 3.29Å; C367-A370 PolarHBondContact SG-N 3.14Å
368I92Very high92.5Very high14 Ų1444.3 Ų44.37%0.07223%0.23CC..SBendtrans-89.5-59.6166.4-64.6168.8000108.6A203 L206 K232 F345 T347A203-I368 HydrophobicContact CB-CG2 4.2Å; L206-I368 HydrophobicContact CD1-CD1 3.69Å; L206-I368 HydrophobicContact CD1-CG1 4.1Å; L206-I368 HydrophobicContact CD1-CG2 3.76Å; K232-I368 HydrophobicContact CB-CD1 4.19Å; K232-I368 HydrophobicContact CD-CD1 4.49Å; K232-I368 HydrophobicContact CG-CD1 3.76Å; F345-I368 HydrophobicContact CB-CG2 4.44Å; F345-I368 HydrophobicContact CD1-CG2 4.3Å; F345-I368 WeakPolarHBondContact O-CG2 3.26Å; T347-I368 HydrophobicContact CG2-CB 3.85Å; T347-I368 HydrophobicContact CG2-CD1 3.87Å; T347-I368 HydrophobicContact CG2-CG1 3.96Å; T347-I368 PolarHBondContact OG1-N 2.81Å; T347-I368 VanDerWaalsContact OG1-N 3.13Å
369R95Very high92.3Very high11 Ų1146.6 Ų46.64%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-139.2140166.4-73.8-68-177.8-9813.4111.1C47 E70 L172 A203 F345 T347 H348C47-R369 PolarHBondContact SG-NH2 3.48Å; E70-R369 IonicContact OE1-CZ 2.9Å; E70-R369 IonicContact OE1-NE 2.67Å; E70-R369 PolarHBondContact OE1-NE 2.71Å; E70-R369 IonicContact OE1-NH2 3.04Å; E70-R369 PolarHBondContact OE1-NH2 3.25Å; E70-R369 VanDerWaalsContact OE1-NH2 3.13Å; E70-R369 IonicContact OE2-NE 3.45Å; E70-R369 PolarHBondContact OE2-NE 3.24Å; E70-R369 VanDerWaalsContact OE2-NE 3.12Å; L172-R369 HydrophobicContact CD1-CB 4.05Å; L172-R369 HydrophobicContact CD1-CG 4.04Å; L172-R369 HydrophobicContact CD2-CB 4.2Å; L172-R369 HydrophobicContact CD2-CG 4.02Å; A203-R369 HydrophobicContact CB-CG 3.83Å; F345-R369 WeakPolarHBondContact O-CB 3.27Å; F345-R369 PolarHBondContact O-N 2.86Å; F345-R369 VanDerWaalsContact O-N 3.15Å; T347-R369 PolarHBondContact N-O 2.97Å; T347-R369 PolarHBondContact OG1-O 2.84Å; H348-R369 PolarHBondContact N-O 2.9Å
370A97.1Very high92Very high0 Ų048.9 Ų48.90%025%0.254CS..EExtended strand (participates in β ladder)trans-106.2127165.300000107.6G45 V46 H348 A358 C367G45-A370 WeakPolarHBondContact CA-O 3.33Å; V46-A370 PolarHBondContact N-O 3.03Å; H348-A370 HydrophobicContact CB-CB 4.09Å; H348-A370 WeakPolarHBondContact O-CA 3.48Å; A358-A370 HydrophobicContact CB-CB 3.89Å; C367-A370 PolarHBondContact SG-N 3.14Å
371V98.2Very high91.8Very high2 Ų246.9 Ų46.91%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-103.5128.6172.7175.70000108.2A43 D168 L172 I346 H348 N349 L350A43-V371 HydrophobicContact CB-CG1 4.08Å; D168-V371 HydrophobicContact CB-CG1 4.42Å; L172-V371 HydrophobicContact CD2-CG2 4.11Å; L172-V371 HydrophobicContact CG-CG2 4.44Å; I346-V371 HydrophobicContact CD1-CG2 4Å; I346-V371 HydrophobicContact CG1-CG2 3.83Å; I346-V371 HydrophobicContact CG2-CB 4.36Å; I346-V371 HydrophobicContact CG2-CG2 4.01Å; H348-V371 PolarHBondContact O-N 3.04Å; N349-V371 WeakPolarHBondContact CA-O 3.26Å; L350-V371 PolarHBondContact N-O 2.82Å
372L98.6Very high91.6Very high0 Ų048.8 Ų48.80%026%0.256CS..EExtended strand (participates in β ladder)trans-96.9124.3175.2-47.1-178.1000108.6A43 T44 V46 L350 L352 I355 A358 V374A43-L372 VanDerWaalsContact CA-O 3.31Å; A43-L372 WeakPolarHBondContact CA-O 3.43Å; T44-L372 HydrophobicContact CG2-CB 3.93Å; T44-L372 HydrophobicContact CG2-CD1 4.17Å; T44-L372 HydrophobicContact CG2-CG 4.32Å; T44-L372 PolarHBondContact N-O 2.95Å; T44-L372 PolarHBondContact O-N 3.36Å; V46-L372 HydrophobicContact CG2-CD1 3.75Å; V46-L372 HydrophobicContact CG2-CD2 4.15Å; V46-L372 HydrophobicContact CG2-CG 3.87Å; L350-L372 HydrophobicContact CB-CD2 3.76Å; L350-L372 CarbonylContact O-C 3.52Å; L350-L372 VanDerWaalsContact O-CA 3.28Å; L350-L372 WeakPolarHBondContact O-CA 3.49Å; L352-L372 HydrophobicContact CD1-CD1 4.26Å; I355-L372 HydrophobicContact CB-CD1 4Å; I355-L372 HydrophobicContact CD1-CD1 3.88Å; I355-L372 HydrophobicContact CG1-CD1 3.85Å; A358-L372 HydrophobicContact CB-CD2 4.08Å; L372-V374 PolarHBondContact O-N 2.92Å
373S98Very high91.6Very high69 Ų6951.1 Ų51.148%0.48327%0.268SS..EExtended strand (participates in β ladder)trans-71.4121.9160.4-178.80000108.2L350 L352L350-S373 PolarHBondContact O-N 3.21Å; L352-S373 PolarHBondContact N-O 2.68Å
374V96.9Very high91.6Very high14 Ų1447.5 Ų47.59%0.08526%0.256CS..  trans-106.9-51-174.9179.20000110.4I41 V42 T44 E149 L352 L372I41-V374 HydrophobicContact CB-CG1 4.3Å; I41-V374 HydrophobicContact CG2-CB 4.17Å; I41-V374 HydrophobicContact CG2-CG1 4.26Å; I41-V374 HydrophobicContact CG2-CG2 4.06Å; V42-V374 PolarHBondContact O-N 3.25Å; T44-V374 HydrophobicContact CG2-CG2 3.52Å; E149-V374 HydrophobicContact CB-CG1 4.28Å; E149-V374 HydrophobicContact CG-CG1 3.91Å; L352-V374 HydrophobicContact CD2-CG1 4.26Å; L372-V374 PolarHBondContact O-N 2.92Å
375S92.3Very high91.7Very high6 Ų643.8 Ų43.84%0.04224%0.236CC..SBendtrans-136.1157.7177.5-50.50000110.3I41 V42 Q377I41-S375 WeakPolarHBondContact O-CB 3.45Å; I41-S375 PolarHBondContact O-N 3.45Å; I41-S375 PolarHBondContact O-OG 2.97Å; V42-S375 PolarHBondContact O-N 2.77Å; S375-Q377 PolarHBondContact O-N 3.03Å
376P83.8Confident91.9Very high103 Ų10345.3 Ų45.367%0.66923%0.234SC*.  trans-58.1137.9166.4-20.632.1000110.7K40K40-P376 PolarHBondContact NZ-O 3.43Å
377Q69.9Low92.1Very high151 Ų15134.8 Ų34.871%0.70620%0.2SC*.  trans-630175.3-171.2166.2-1.700111.6V42 L167 S375V42-Q377 HydrophobicContact CG1-CB 3.81Å; V42-Q377 HydrophobicContact CG1-CG 4.22Å; L167-Q377 HydrophobicContact CD1-CG 4.12Å; S375-Q377 PolarHBondContact O-N 3.03Å

Retrieved 377 of 377 residues in 387.9 ms (Link to these results)

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