A0A087X9T7_POEFO Loading...

Arachidonate 5-lipoxygenase b, tandem duplicate 1

AlphaFold DB , UniProt , Accession A0A087X9T7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 673 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
1M66Low92.3Very high159 Ų15929 Ų2978%0.78316%0.164SC*.  0107.40-68.4170-178.600108.2V58 D59M1-V58 WeakPolarHBondContact CA-O 3.36Å; M1-V58 WeakPolarHBondContact CB-O 3.32Å; M1-D59 WeakPolarHBondContact CE-OD1 3.13Å
2P82.8Confident92.2Very high37 Ų3733.2 Ų33.224%0.2420%0.197CC..  trans-50.6137164.719.7-31.3000110.4Y4 V58 P91P2-Y4 HydrophobicContact CB-CE2 4.02Å; P2-Y4 HydrophobicContact CG-CE2 4.43Å; P2-V58 WeakPolarHBondContact CD-O 3.42Å; P2-V58 HydrophobicContact CG-CB 4.4Å; P2-V58 PolarHBondContact O-N 2.69Å; P2-P91 HydrophobicContact CB-CB 4.13Å; P2-P91 HydrophobicContact CB-CG 3.36Å
3S90.4Very high91.8Very high48 Ų4832.7 Ų32.734%0.33619%0.191SC..EExtended strand (participates in β ladder)trans-113.3126.8176.8-171.70000108.7
4Y95.6Very high91.2Very high5 Ų541.9 Ų41.92%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-105.2134.5174.9-64.4-100.4000108.6P2 L26 N55 V56 V58 L62 V65 I88 K89 T90 P91P2-Y4 HydrophobicContact CB-CE2 4.02Å; P2-Y4 HydrophobicContact CG-CE2 4.43Å; Y4-L26 HydrophobicContact CD1-CD1 4.16Å; Y4-L26 HydrophobicContact CD2-CD1 4.21Å; Y4-L26 HydrophobicContact CG-CD1 3.84Å; Y4-N55 WeakPolarHBondContact O-CA 3.15Å; Y4-V56 PolarHBondContact N-O 3.08Å; Y4-V56 PolarHBondContact O-N 3.22Å; Y4-V58 HydrophobicContact CD2-CB 4.46Å; Y4-V58 HydrophobicContact CD2-CG2 3.69Å; Y4-V58 HydrophobicContact CE2-CB 4.15Å; Y4-V58 HydrophobicContact CE2-CG2 3.76Å; Y4-L62 HydrophobicContact CE2-CD1 4.14Å; Y4-V65 HydrophobicContact CE1-CG2 3.97Å; Y4-I88 HydrophobicContact CD1-CG2 3.75Å; Y4-I88 HydrophobicContact CG-CG2 4.49Å; Y4-K89 WeakPolarHBondContact CA-O 3.42Å; Y4-T90 HydrophobicContact CE1-CG2 4.29Å; Y4-P91 HydrophobicContact CD2-CG 4.35Å; Y4-P91 HydrophobicContact CE1-CG 4.19Å; Y4-P91 HydrophobicContact CE2-CG 3.97Å
5T96.9Very high91Very high43 Ų4348.7 Ų48.726%0.26425%0.249SC..EExtended strand (participates in β ladder)trans-94.3110.9169.8-54.10000108.3Y54 N55 I88 K89T5-Y54 CarbonylContact C-O 3.51Å; T5-Y54 WeakPolarHBondContact CA-O 3.45Å; T5-N55 PolarHBondContact OG1-OD1 3.35Å; T5-I88 WeakPolarHBondContact O-CA 3.19Å; T5-K89 PolarHBondContact N-O 2.93Å; T5-K89 PolarHBondContact O-N 3.11Å
6V97.8Very high91Very high0 Ų045.7 Ų45.70%023%0.233CC..EExtended strand (participates in β ladder)trans-93.7125.5176.5174.80000107.8V8 I24 L26 S53 Y54 V56 V86 T87V6-V8 HydrophobicContact CG1-CG2 4.07Å; V6-I24 HydrophobicContact CB-CD1 4.42Å; V6-I24 HydrophobicContact CG1-CD1 3.41Å; V6-I24 VanDerWaalsContact CG1-CD1 3.41Å; V6-I24 HydrophobicContact CG2-CD1 4.15Å; V6-L26 HydrophobicContact CG2-CD2 4.38Å; V6-S53 CarbonylContact O-C 3.59Å; V6-S53 VanDerWaalsContact O-CA 3.28Å; V6-S53 WeakPolarHBondContact O-CA 3.4Å; V6-Y54 PolarHBondContact N-O 3.22Å; V6-Y54 PolarHBondContact O-N 2.93Å; V6-V56 HydrophobicContact CB-CG2 4.32Å; V6-V56 HydrophobicContact CG2-CB 4.29Å; V6-V56 HydrophobicContact CG2-CG2 3.63Å; V6-V86 HydrophobicContact CG1-CG1 3.87Å; V6-T87 CarbonylContact C-O 3.5Å; V6-T87 WeakPolarHBondContact CA-O 3.25Å
7T97.9Very high91.1Very high23 Ų2343.8 Ų43.814%0.14123%0.227CC..EExtended strand (participates in β ladder)trans-117.3131172.2-54.80000109.7V51 D52 S53 V86 T87T7-V51 HydrophobicContact CG2-CG1 3.38Å; T7-D52 CarbonylContact C-O 3.55Å; T7-D52 VanDerWaalsContact CA-O 3.25Å; T7-D52 WeakPolarHBondContact CA-O 3.33Å; T7-S53 WeakPolarHBondContact CG2-OG 3.4Å; T7-S53 PolarHBondContact OG1-OG 3.36Å; T7-V86 CarbonylContact O-C 3.57Å; T7-V86 VanDerWaalsContact O-CA 3.27Å; T7-V86 WeakPolarHBondContact O-CA 3.32Å; T7-T87 WeakPolarHBondContact CB-OG1 3.38Å; T7-T87 PolarHBondContact N-O 2.91Å; T7-T87 PolarHBondContact O-N 2.91Å
8V97.9Very high91.2Very high3 Ų341.6 Ų41.62%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-118.1130.4-177.6-1780000108.4V6 L38 F46 V51 D52 Y54 W81 V86V6-V8 HydrophobicContact CG1-CG2 4.07Å; V8-L38 HydrophobicContact CG2-CD1 3.92Å; V8-F46 HydrophobicContact CB-CE1 4.12Å; V8-F46 HydrophobicContact CG1-CD1 4.17Å; V8-F46 HydrophobicContact CG1-CE1 4Å; V8-F46 HydrophobicContact CG2-CE1 4.38Å; V8-V51 WeakPolarHBondContact O-CA 3.36Å; V8-D52 PolarHBondContact N-O 3.01Å; V8-D52 PolarHBondContact O-N 2.87Å; V8-Y54 HydrophobicContact CG2-CE2 4.45Å; V8-W81 HydrophobicContact CG1-CH2 3.47Å; V8-W81 VanDerWaalsContact CG1-CH2 3.47Å; V8-W81 HydrophobicContact CG1-CZ2 3.43Å; V8-W81 VanDerWaalsContact CG1-CZ2 3.43Å; V8-V86 HydrophobicContact CG2-CG2 4.29Å
9A98.1Very high91.2Very high0 Ų045 Ų450%024%0.235CC..EExtended strand (participates in β ladder)trans-109.9122.6176.500000111.1V51 R84 Y85A9-V51 HydrophobicContact CB-CG2 4.12Å; A9-R84 HydrophobicContact CB-CB 4.2Å; A9-R84 WeakPolarHBondContact O-CB 3.44Å; A9-R84 PolarHBondContact O-N 3.01Å; A9-Y85 HydrophobicContact CB-CD1 3.97Å; A9-Y85 HydrophobicContact CB-CD2 3.94Å; A9-Y85 HydrophobicContact CB-CE1 3.61Å; A9-Y85 HydrophobicContact CB-CE2 3.57Å; A9-Y85 HydrophobicContact CB-CG 4.13Å; A9-Y85 PolarHBondContact N-O 3.08Å
10T97.4Very high91.2Very high1 Ų143.2 Ų43.21%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-88.1148.1176.6-61.40000111.3A16 F46 E47 A50 W81 R84T10-A16 HydrophobicContact CG2-CB 4.42Å; T10-A16 VanDerWaalsContact CG2-O 3.27Å; T10-A16 WeakPolarHBondContact CG2-O 3.47Å; T10-F46 PolarHBondContact OG1-O 2.76Å; T10-E47 VanDerWaalsContact CB-O 3.29Å; T10-E47 WeakPolarHBondContact CB-O 3.38Å; T10-E47 WeakPolarHBondContact CG2-O 3.44Å; T10-A50 PolarHBondContact N-O 3.21Å; T10-W81 PolarHBondContact OG1-NE1 2.79Å; T10-R84 WeakPolarHBondContact O-CD 3.4Å
11G93.9Very high91.3Very high0 Ų045.5 Ų45.50%023%0.232CC..  trans-59.7152.717500000114.6A16 R48 G49 Y82G11-A16 VanDerWaalsContact O-CB 3.26Å; G11-A16 WeakPolarHBondContact O-CB 3.49Å; G11-R48 CarbonylContact O-C 3.49Å; G11-G49 PolarHBondContact O-N 3.36Å; G11-Y82 PolarHBondContact N-O 2.89Å
12S91.1Very high92.7Very high79 Ų7938 Ų3855%0.55220%0.195SC*.  trans-95.74.1172.7600000113.1R48S12-R48 VanDerWaalsContact O-CZ 3.25Å; S12-R48 PolarHBondContact O-NE 3.18Å; S12-R48 PolarHBondContact O-NH2 3.32Å
13Q87.6Confident93.3Very high27 Ų2738 Ų3813%0.12619%0.191CC..SBendtrans-64.1160175.1-60.382.6-10.200110.8F15 A16 R48 Y82 W103 D171Q13-F15 PolarHBondContact O-N 2.85Å; Q13-A16 HydrophobicContact CB-CB 4.18Å; Q13-A16 WeakPolarHBondContact O-CB 3.38Å; Q13-A16 PolarHBondContact O-N 2.86Å; Q13-R48 WeakPolarHBondContact O-CD 3.48Å; Q13-R48 WeakPolarHBondContact O-CG 3.27Å; Q13-R48 PolarHBondContact O-NE 3.43Å; Q13-R48 VanDerWaalsContact O-NE 3.08Å; Q13-Y82 VanDerWaalsContact NE2-CE1 3.29Å; Q13-Y82 VanDerWaalsContact OE1-CD1 3.31Å; Q13-W103 HydrophobicContact CB-CZ2 4.35Å; Q13-D171 HydrophobicContact CB-CB 4.32Å; Q13-D171 HydrophobicContact CG-CB 4.22Å
14W83.6Confident93.7Very high161 Ų16135.9 Ų35.961%0.6118%0.175SC*.THydrogen-bonded Turntrans-62.5137.6170.1-7979000110.1A16W14-A16 PolarHBondContact O-N 3.02Å
15F87.4Confident93.8Very high145 Ų14536.6 Ų36.664%0.63618%0.18SC*.THydrogen-bonded Turntrans60.724.8-177.4-47.9-74.2000114.4Q13 W103Q13-F15 PolarHBondContact O-N 2.85Å; F15-W103 WeakPolarHBondContact O-CH2 3.49Å; F15-W103 VanDerWaalsContact O-CZ3 3.24Å; F15-W103 WeakPolarHBondContact O-CZ3 3.28Å
16A91.8Very high93.8Very high0 Ų034.6 Ų34.60%017%0.168CC..  trans-78.9-18.1-17900000114.7T10 G11 Q13 W14 R48 Y82 W103T10-A16 HydrophobicContact CG2-CB 4.42Å; T10-A16 VanDerWaalsContact CG2-O 3.27Å; T10-A16 WeakPolarHBondContact CG2-O 3.47Å; G11-A16 VanDerWaalsContact O-CB 3.26Å; G11-A16 WeakPolarHBondContact O-CB 3.49Å; Q13-A16 HydrophobicContact CB-CB 4.18Å; Q13-A16 WeakPolarHBondContact O-CB 3.38Å; Q13-A16 PolarHBondContact O-N 2.86Å; W14-A16 PolarHBondContact O-N 3.02Å; A16-R48 HydrophobicContact CB-CG 4.44Å; A16-Y82 PolarHBondContact O-N 2.83Å; A16-W103 HydrophobicContact CB-CH2 4.44Å
17G92.5Very high93.7Very high13 Ų1335.3 Ų35.313%0.13417%0.172CC..  trans-80.3172.6-179.200000112.8F46 D80G17-F46 WeakPolarHBondContact CA-O 3.25Å; G17-D80 VanDerWaalsContact O-O 3.12Å
18T92.5Very high93.5Very high5 Ų534.3 Ų34.33%0.03117%0.166CC..  trans-153.4141.8176.7-164.60000113.6D20 V22 F46 D79 W81T18-D20 WeakPolarHBondContact OG1-CB 3.35Å; T18-D20 PolarHBondContact OG1-N 2.87Å; T18-V22 HydrophobicContact CG2-CG2 4.28Å; T18-F46 HydrophobicContact CG2-CB 3.95Å; T18-F46 HydrophobicContact CG2-CD2 4.48Å; T18-F46 HydrophobicContact CG2-CG 4.46Å; T18-F46 PolarHBondContact N-O 2.82Å; T18-D79 WeakPolarHBondContact CA-OD2 3.34Å; T18-W81 HydrophobicContact CG2-CB 3.72Å; T18-W81 HydrophobicContact CG2-CD2 4.02Å; T18-W81 HydrophobicContact CG2-CG 3.48Å; T18-W81 VanDerWaalsContact CG2-CG 3.48Å
19D91Very high93.2Very high106 Ų10637.3 Ų37.357%0.56719%0.185SC*.  trans-95.64.1169.9-66.9-37.5000112.8
20D92.1Very high92.8Very high9 Ų943.7 Ų43.75%0.04822%0.215CC..SBendtrans-77.4158.9-179.7-80.8-19.5000112.4T18 V22 K72 K73 K74 Y75T18-D20 WeakPolarHBondContact OG1-CB 3.35Å; T18-D20 PolarHBondContact OG1-N 2.87Å; D20-V22 PolarHBondContact O-N 3.31Å; D20-K72 HydrophobicContact CB-CD 3.98Å; D20-K72 HydrophobicContact CB-CG 3.62Å; D20-K72 IonicContact OD2-NZ 3.21Å; D20-K72 PolarHBondContact OD2-NZ 2.87Å; D20-K73 WeakPolarHBondContact CB-O 3.32Å; D20-K74 VanDerWaalsContact OD1-CA 3.28Å; D20-K74 WeakPolarHBondContact OD1-CA 3.4Å; D20-Y75 PolarHBondContact OD1-N 2.99Å
21Y92.6Very high92.5Very high91 Ų9144.7 Ų44.736%0.35723%0.225SC..EExtended strand (participates in β ladder)trans-72122.9175.1-62.3-60.4000111.2L37 K72 K73 Y75Y21-L37 HydrophobicContact CD1-CD1 4.05Å; Y21-L37 HydrophobicContact CG-CD1 4.41Å; Y21-K72 CarbonylContact O-C 3.58Å; Y21-K72 WeakPolarHBondContact O-CA 3.33Å; Y21-K73 PolarHBondContact N-O 3.02Å; Y21-K73 PolarHBondContact O-N 2.85Å; Y21-Y75 HydrophobicContact CD2-CD2 4.39Å; Y21-Y75 HydrophobicContact CE1-CD2 4.22Å; Y21-Y75 AromaticContact CE2-CD2 3.41Å; Y21-Y75 HydrophobicContact CE2-CD2 3.41Å; Y21-Y75 VanDerWaalsContact CE2-CD2 3.41Å; Y21-Y75 HydrophobicContact CE2-CE2 4.25Å; Y21-Y75 HydrophobicContact CE2-CG 4.18Å; Y21-Y75 AromaticContact CZ-CD2 3.3Å; Y21-Y75 AromaticContact CZ-CE2 3.77Å; Y21-Y75 WeakPolarHBondContact OH-CD2 3.47Å; Y21-Y75 WeakPolarHBondContact OH-CE2 3.45Å
22V95.3Very high92.6Very high1 Ų148.1 Ų48.11%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-104.7123.8176-177.50000110.1T18 D20 L38 F46 I70 W81T18-V22 HydrophobicContact CG2-CG2 4.28Å; D20-V22 PolarHBondContact O-N 3.31Å; V22-L38 HydrophobicContact CG1-CD1 4.29Å; V22-L38 PolarHBondContact O-N 2.92Å; V22-F46 HydrophobicContact CB-CD2 4.37Å; V22-F46 HydrophobicContact CB-CE2 3.7Å; V22-F46 HydrophobicContact CB-CZ 3.8Å; V22-F46 HydrophobicContact CG1-CZ 4.2Å; V22-F46 HydrophobicContact CG2-CD2 3.81Å; V22-F46 HydrophobicContact CG2-CE2 3.65Å; V22-F46 HydrophobicContact CG2-CG 4.37Å; V22-F46 HydrophobicContact CG2-CZ 4.08Å; V22-I70 HydrophobicContact CG1-CG2 3.84Å; V22-W81 HydrophobicContact CG1-CH2 4.19Å; V22-W81 HydrophobicContact CG1-CZ3 3.9Å; V22-W81 HydrophobicContact CG2-CE3 4.28Å; V22-W81 HydrophobicContact CG2-CZ3 4.17Å
23Y96.4Very high92.8Very high39 Ų3944.8 Ų44.815%0.15323%0.225CC..EExtended strand (participates in β ladder)trans-113.1143176.3-60.8-95.5000110.7R35 T36 L37 I70 E71 K73Y23-R35 HydrophobicContact CD1-CG 4.18Å; Y23-R35 HydrophobicContact CG-CG 4.42Å; Y23-T36 CarbonylContact C-O 3.48Å; Y23-T36 VanDerWaalsContact CA-O 3.25Å; Y23-T36 WeakPolarHBondContact CA-O 3.36Å; Y23-L37 HydrophobicContact CD1-CB 3.85Å; Y23-L37 HydrophobicContact CD1-CD1 4.09Å; Y23-L37 HydrophobicContact CD2-CD1 4.45Å; Y23-L37 HydrophobicContact CE1-CB 3.62Å; Y23-L37 HydrophobicContact CE1-CD1 3.69Å; Y23-L37 HydrophobicContact CE1-CG 4.17Å; Y23-L37 HydrophobicContact CE2-CD1 4.12Å; Y23-L37 HydrophobicContact CG-CD1 4.47Å; Y23-I70 WeakPolarHBondContact O-CA 3.41Å; Y23-E71 PolarHBondContact N-O 3.01Å; Y23-E71 PolarHBondContact O-N 2.83Å; Y23-K73 HydrophobicContact CD2-CG 4.4Å; Y23-K73 HydrophobicContact CE2-CB 4.09Å; Y23-K73 HydrophobicContact CE2-CD 4.07Å; Y23-K73 HydrophobicContact CE2-CG 4.12Å
24I97.4Very high93.1Very high2 Ų250.5 Ų50.51%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-119.9145.9175.8-158171.1000111.5V6 L26 T36 L38 V56 V68 K69 V86V6-I24 HydrophobicContact CB-CD1 4.42Å; V6-I24 HydrophobicContact CG1-CD1 3.41Å; V6-I24 VanDerWaalsContact CG1-CD1 3.41Å; V6-I24 HydrophobicContact CG2-CD1 4.15Å; I24-L26 HydrophobicContact CD1-CD2 3.99Å; I24-L26 HydrophobicContact CG1-CD2 4.16Å; I24-T36 PolarHBondContact N-O 2.85Å; I24-T36 PolarHBondContact O-N 2.81Å; I24-L38 HydrophobicContact CB-CD1 4.1Å; I24-L38 HydrophobicContact CB-CD2 4.38Å; I24-L38 HydrophobicContact CB-CG 4.24Å; I24-L38 HydrophobicContact CG2-CD1 4.25Å; I24-L38 HydrophobicContact CG2-CD2 3.65Å; I24-L38 HydrophobicContact CG2-CG 4.02Å; I24-V56 HydrophobicContact CG2-CG2 4.14Å; I24-V68 HydrophobicContact CD1-CG1 3.68Å; I24-V68 HydrophobicContact CG1-CG1 3.76Å; I24-K69 CarbonylContact C-O 3.16Å; I24-K69 VanDerWaalsContact CA-O 3.32Å; I24-K69 WeakPolarHBondContact CA-O 3.38Å; I24-K69 WeakPolarHBondContact CG1-O 3.33Å; I24-V86 HydrophobicContact CD1-CG1 4.2Å
25T97.4Very high93.7Very high21 Ų2147.6 Ų47.613%0.12924%0.24CC..EExtended strand (participates in β ladder)trans-134.1127.8167.6-510000109.5C32 S33 K69T25-C32 WeakPolarHBondContact CG2-SG 3.22Å; T25-S33 WeakPolarHBondContact CG2-O 3.27Å; T25-K69 HydrophobicContact CG2-CD 4.34Å; T25-K69 PolarHBondContact N-O 3.43Å; T25-K69 PolarHBondContact O-N 3.19Å
26L97.1Very high94.1Very high0 Ų042.5 Ų42.50%022%0.221CC..EExtended strand (participates in β ladder)trans-93.7123.9179-51.8-172.2000109.1Y4 V6 I24 C32 S33 V56 L62 V65 V68 I88Y4-L26 HydrophobicContact CD1-CD1 4.16Å; Y4-L26 HydrophobicContact CD2-CD1 4.21Å; Y4-L26 HydrophobicContact CG-CD1 3.84Å; V6-L26 HydrophobicContact CG2-CD2 4.38Å; I24-L26 HydrophobicContact CD1-CD2 3.99Å; I24-L26 HydrophobicContact CG1-CD2 4.16Å; L26-C32 CarbonylContact O-C 3.25Å; L26-C32 WeakPolarHBondContact O-CA 3.1Å; L26-S33 PolarHBondContact N-OG 3.32Å; L26-S33 PolarHBondContact O-N 3.25Å; L26-V56 HydrophobicContact CD1-CG1 4.5Å; L26-L62 HydrophobicContact CB-CD1 3.7Å; L26-L62 HydrophobicContact CD1-CD1 4.36Å; L26-V65 HydrophobicContact CB-CG1 4.42Å; L26-V68 HydrophobicContact CD2-CG2 4.29Å; L26-I88 HydrophobicContact CD1-CD1 4.43Å; L26-I88 HydrophobicContact CD2-CD1 3.47Å; L26-I88 VanDerWaalsContact CD2-CD1 3.47Å; L26-I88 HydrophobicContact CG-CD1 4.5Å
27V96.1Very high94.4Very high16 Ų1645.6 Ų45.610%0.09724%0.238CC..EExtended strand (participates in β ladder)trans-112.6114.3178.6-172.10000108.4V66 L67 K69 I127V27-V66 WeakPolarHBondContact O-CG2 3.3Å; V27-V66 PolarHBondContact O-N 3.48Å; V27-L67 HydrophobicContact CB-CB 4.06Å; V27-L67 HydrophobicContact CG2-CB 4.44Å; V27-L67 PolarHBondContact N-O 3.09Å; V27-L67 PolarHBondContact O-N 2.79Å; V27-L67 VanDerWaalsContact O-N 3.11Å; V27-K69 HydrophobicContact CG2-CD 3.89Å; V27-K69 HydrophobicContact CG2-CG 4.11Å; V27-I127 HydrophobicContact CG1-CG2 4.24Å
28G93.6Very high94.5Very high1 Ų145.3 Ų45.31%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-107.5-179.717700000113.4E30 G31 L62 D64G28-E30 VanDerWaalsContact C-N 3.29Å; G28-E30 PolarHBondContact O-N 2.65Å; G28-G31 PolarHBondContact N-O 3.31Å; G28-L62 CarbonylContact C-O 3.58Å; G28-L62 VanDerWaalsContact C-O 3.25Å; G28-L62 WeakPolarHBondContact CA-O 3.12Å; G28-D64 CarbonylContact C-O 3.56Å; G28-D64 WeakPolarHBondContact CA-O 3.23Å
29T91.6Very high94.5Very high66 Ų6649.6 Ų49.641%0.40526%0.255SS..SBendtrans-69.1-25179.750.90000113.8L62 D64 V66T29-L62 PolarHBondContact N-O 3.14Å; T29-D64 HydrophobicContact CG2-CB 4.11Å; T29-D64 PolarHBondContact N-O 2.62Å; T29-D64 PolarHBondContact OG1-N 3.47Å; T29-D64 VanDerWaalsContact OG1-N 3.14Å; T29-V66 HydrophobicContact CG2-CG1 3.94Å
30E90.9Very high94.4Very high135 Ų13547 Ų4763%0.63124%0.239SC*.SBendtrans-111.6-14.7-174.9-62.6-179.5-175.200113.2G28 N61 L62G28-E30 VanDerWaalsContact C-N 3.29Å; G28-E30 PolarHBondContact O-N 2.65Å; E30-N61 PolarHBondContact OE2-ND2 3.05Å; E30-L62 PolarHBondContact N-O 2.94Å
31G91.6Very high94Very high21 Ų2152 Ų5222%0.21627%0.272CS..  trans-173.5-177.5-176.400000114.1G28G28-G31 PolarHBondContact N-O 3.31Å
32C94.4Very high93.4Very high73 Ų7356.7 Ų56.749%0.49330%0.302SS..BIsolated β-bridgetrans-130.8138.3177.8-173.90000109.1T25 L26 L62T25-C32 WeakPolarHBondContact CG2-SG 3.22Å; L26-C32 CarbonylContact O-C 3.25Å; L26-C32 WeakPolarHBondContact O-CA 3.1Å; C32-L62 VanDerWaalsContact C-CD2 3.49Å
33S95.8Very high93Very high9 Ų962.2 Ų62.26%0.06332%0.324CS..  trans-69.3164.9172.878.10000111.1T25 L26T25-S33 WeakPolarHBondContact CG2-O 3.27Å; L26-S33 PolarHBondContact N-OG 3.32Å; L26-S33 PolarHBondContact O-N 3.25Å
34E94.8Very high92.5Very high146 Ų14664.5 Ų64.568%0.68234%0.339SS*.  trans-66.6158.8161.3-62.9-162.6144.600111T36E34-T36 PolarHBondContact O-N 2.67Å; E34-T36 PolarHBondContact O-OG1 3.23Å
35R95.7Very high92.2Very high100 Ų10064.9 Ų64.938%0.37734%0.341SS..  trans-71.3112.3174.3179.3-178.1179.1-81.8-5.1109.6Y23 E71Y23-R35 HydrophobicContact CD1-CG 4.18Å; Y23-R35 HydrophobicContact CG-CG 4.42Å; R35-E71 IonicContact CZ-OE2 2.76Å; R35-E71 IonicContact NE-OE2 2.84Å; R35-E71 PolarHBondContact NE-OE2 2.87Å; R35-E71 IonicContact NH2-OE1 3.76Å; R35-E71 IonicContact NH2-OE2 3.05Å; R35-E71 PolarHBondContact NH2-OE2 3.09Å
36T96.4Very high92Very high38 Ų3864.1 Ų64.123%0.23334%0.336CS..EExtended strand (participates in β ladder)trans-110129.5-173-56.10000111Y23 I24 E34 V56Y23-T36 CarbonylContact C-O 3.48Å; Y23-T36 VanDerWaalsContact CA-O 3.25Å; Y23-T36 WeakPolarHBondContact CA-O 3.36Å; I24-T36 PolarHBondContact N-O 2.85Å; I24-T36 PolarHBondContact O-N 2.81Å; E34-T36 PolarHBondContact O-N 2.67Å; E34-T36 PolarHBondContact O-OG1 3.23Å; T36-V56 HydrophobicContact CG2-CG1 4.36Å; T36-V56 HydrophobicContact CG2-CG2 4.26Å
37L96.2Very high91.9Very high66 Ų6667.9 Ų67.935%0.34635%0.353SS..EExtended strand (participates in β ladder)trans-72.2129.2170.6178.563.7000109.3Y21 Y23 D39Y21-L37 HydrophobicContact CD1-CD1 4.05Å; Y21-L37 HydrophobicContact CG-CD1 4.41Å; Y23-L37 HydrophobicContact CD1-CB 3.85Å; Y23-L37 HydrophobicContact CD1-CD1 4.09Å; Y23-L37 HydrophobicContact CD2-CD1 4.45Å; Y23-L37 HydrophobicContact CE1-CB 3.62Å; Y23-L37 HydrophobicContact CE1-CD1 3.69Å; Y23-L37 HydrophobicContact CE1-CG 4.17Å; Y23-L37 HydrophobicContact CE2-CD1 4.12Å; Y23-L37 HydrophobicContact CG-CD1 4.47Å; L37-D39 HydrophobicContact CD2-CB 4.05Å; L37-D39 HydrophobicContact CG-CB 3.94Å
38L95.6Very high91.8Very high7 Ų772.7 Ų72.74%0.03737%0.37CS..EExtended strand (participates in β ladder)trans-92.5104171.3-59.8-172.7000108.4V8 V22 I24 F46 Y54 V56V8-L38 HydrophobicContact CG2-CD1 3.92Å; V22-L38 HydrophobicContact CG1-CD1 4.29Å; V22-L38 PolarHBondContact O-N 2.92Å; I24-L38 HydrophobicContact CB-CD1 4.1Å; I24-L38 HydrophobicContact CB-CD2 4.38Å; I24-L38 HydrophobicContact CB-CG 4.24Å; I24-L38 HydrophobicContact CG2-CD1 4.25Å; I24-L38 HydrophobicContact CG2-CD2 3.65Å; I24-L38 HydrophobicContact CG2-CG 4.02Å; L38-F46 HydrophobicContact CB-CE2 4.48Å; L38-F46 HydrophobicContact CB-CZ 3.75Å; L38-F46 HydrophobicContact CD1-CZ 4.28Å; L38-Y54 HydrophobicContact CB-CD1 4.13Å; L38-Y54 HydrophobicContact CB-CD2 4.22Å; L38-Y54 HydrophobicContact CB-CE1 4.04Å; L38-Y54 HydrophobicContact CB-CE2 4.13Å; L38-Y54 HydrophobicContact CB-CG 4.23Å; L38-Y54 HydrophobicContact CD1-CD2 4.12Å; L38-Y54 HydrophobicContact CD1-CE2 4.22Å; L38-Y54 HydrophobicContact CD2-CD1 4.35Å; L38-Y54 HydrophobicContact CD2-CD2 3.98Å; L38-Y54 HydrophobicContact CD2-CG 3.81Å; L38-Y54 HydrophobicContact CG-CD2 4.35Å; L38-Y54 HydrophobicContact CG-CG 4.48Å; L38-V56 HydrophobicContact CD2-CG2 4.37Å
39D92.5Very high91.9Very high94 Ų9474.7 Ų74.750%0.50339%0.391SS..  trans-152.7134.6-178.217929.8000109.7L37 D45L37-D39 HydrophobicContact CD2-CB 4.05Å; L37-D39 HydrophobicContact CG-CB 3.94Å; D39-D45 WeakPolarHBondContact CA-OD2 3.39Å
40K88.8Confident92.1Very high51 Ų5172.4 Ų72.422%0.22238%0.379CS..  trans-109.9119.6171.1-73179.3-148130.80109L42 Y43 D45 D52 S53 Y54K40-L42 PolarHBondContact O-N 2.79Å; K40-Y43 HydrophobicContact CB-CD1 4.12Å; K40-Y43 HydrophobicContact CB-CG 4.22Å; K40-Y43 HydrophobicContact CD-CD1 3.95Å; K40-Y43 HydrophobicContact CD-CE1 4.33Å; K40-Y43 HydrophobicContact CD-CG 4.24Å; K40-Y43 PolarHBondContact O-N 2.88Å; K40-Y43 VanDerWaalsContact O-N 3.09Å; K40-D45 PolarHBondContact N-OD2 2.65Å; K40-D45 IonicContact NZ-OD1 3.27Å; K40-D45 PolarHBondContact NZ-OD1 3.31Å; K40-D52 IonicContact NZ-OD1 3.72Å; K40-D52 PolarHBondContact NZ-OD1 3.2Å; K40-S53 WeakPolarHBondContact CE-O 3.18Å; K40-Y54 HydrophobicContact CD-CE1 4.43Å; K40-Y54 HydrophobicContact CG-CD1 4.17Å; K40-Y54 HydrophobicContact CG-CE1 3.84Å
41P82.9Confident92.4Very high114 Ų11469.9 Ų69.974%0.7437%0.372SS*.THydrogen-bonded Turntrans-54.7129.5179-25.633.2000112.4Y43P41-Y43 PolarHBondContact O-N 2.81Å
42L80.4Confident92.7Very high190 Ų19068.9 Ų68.9100%0.99536%0.362SS*.THydrogen-bonded Turntrans62.123.2178.7-52.3172.5000114.6K40K40-L42 PolarHBondContact O-N 2.79Å
43Y86.7Confident92.8Very high117 Ų11768.2 Ų68.246%0.45936%0.358SS..SBendtrans-123.2147.2174.8179.3-89.9000109.3K40 P41 D45 D52K40-Y43 HydrophobicContact CB-CD1 4.12Å; K40-Y43 HydrophobicContact CB-CG 4.22Å; K40-Y43 HydrophobicContact CD-CD1 3.95Å; K40-Y43 HydrophobicContact CD-CE1 4.33Å; K40-Y43 HydrophobicContact CD-CG 4.24Å; K40-Y43 PolarHBondContact O-N 2.88Å; K40-Y43 VanDerWaalsContact O-N 3.09Å; P41-Y43 PolarHBondContact O-N 2.81Å; Y43-D45 HydrophobicContact CD1-CB 4.37Å; Y43-D45 WeakPolarHBondContact CD1-OD1 3.38Å; Y43-D45 VanDerWaalsContact CE1-OD1 3.3Å; Y43-D45 WeakPolarHBondContact CE1-OD1 3.09Å; Y43-D52 WeakPolarHBondContact CE1-OD1 3.46Å; Y43-D52 PolarHBondContact OH-OD1 2.82Å
44N86.9Confident92.8Very high87 Ų8768.6 Ų68.647%0.46536%0.358SS..  trans-95.498.7178-164.614.4000108.8E47N44-E47 HydrophobicContact CB-CG 4.4Å; N44-E47 PolarHBondContact ND2-OE1 2.81Å
45D90.8Very high92.8Very high10 Ų1067 Ų675%0.05335%0.354CS..THydrogen-bonded Turntrans-77.9155.2-175.1-73.2-59.6000112D39 K40 Y43 E47 Y54D39-D45 WeakPolarHBondContact CA-OD2 3.39Å; K40-D45 PolarHBondContact N-OD2 2.65Å; K40-D45 IonicContact NZ-OD1 3.27Å; K40-D45 PolarHBondContact NZ-OD1 3.31Å; Y43-D45 HydrophobicContact CD1-CB 4.37Å; Y43-D45 WeakPolarHBondContact CD1-OD1 3.38Å; Y43-D45 VanDerWaalsContact CE1-OD1 3.3Å; Y43-D45 WeakPolarHBondContact CE1-OD1 3.09Å; D45-E47 PolarHBondContact O-N 2.85Å; D45-Y54 WeakPolarHBondContact CB-OH 3.18Å; D45-Y54 PolarHBondContact OD1-OH 3.11Å
46F93.5Very high92.7Very high5 Ų562.2 Ų62.22%0.02234%0.336CS..THydrogen-bonded Turntrans62.226.4171.3-44.7-64.4000115.3V8 T10 G17 T18 V22 L38 D52 Y54 W81V8-F46 HydrophobicContact CB-CE1 4.12Å; V8-F46 HydrophobicContact CG1-CD1 4.17Å; V8-F46 HydrophobicContact CG1-CE1 4Å; V8-F46 HydrophobicContact CG2-CE1 4.38Å; T10-F46 PolarHBondContact OG1-O 2.76Å; G17-F46 WeakPolarHBondContact CA-O 3.25Å; T18-F46 HydrophobicContact CG2-CB 3.95Å; T18-F46 HydrophobicContact CG2-CD2 4.48Å; T18-F46 HydrophobicContact CG2-CG 4.46Å; T18-F46 PolarHBondContact N-O 2.82Å; V22-F46 HydrophobicContact CB-CD2 4.37Å; V22-F46 HydrophobicContact CB-CE2 3.7Å; V22-F46 HydrophobicContact CB-CZ 3.8Å; V22-F46 HydrophobicContact CG1-CZ 4.2Å; V22-F46 HydrophobicContact CG2-CD2 3.81Å; V22-F46 HydrophobicContact CG2-CE2 3.65Å; V22-F46 HydrophobicContact CG2-CG 4.37Å; V22-F46 HydrophobicContact CG2-CZ 4.08Å; L38-F46 HydrophobicContact CB-CE2 4.48Å; L38-F46 HydrophobicContact CB-CZ 3.75Å; L38-F46 HydrophobicContact CD1-CZ 4.28Å; F46-D52 PolarHBondContact N-OD2 3.33Å; F46-Y54 HydrophobicContact CE1-CE2 4.01Å; F46-Y54 WeakPolarHBondContact CE1-OH 3.43Å; F46-Y54 HydrophobicContact CZ-CE2 4.04Å; F46-Y54 AromaticContact CZ-CZ 3.73Å; F46-Y54 WeakPolarHBondContact CZ-OH 3.19Å; F46-W81 HydrophobicContact CD1-CH2 4.31Å; F46-W81 AromaticContact CD1-CZ2 3.71Å; F46-W81 HydrophobicContact CD1-CZ2 3.71Å; F46-W81 HydrophobicContact CE1-CH2 4.5Å; F46-W81 HydrophobicContact CE1-CZ2 4.31Å; F46-W81 HydrophobicContact CG-CZ2 4.31Å
47E95.1Very high92.5Very high80 Ų8067.6 Ų67.637%0.37436%0.356SS..  trans-60154.8172.8-81.6-60.715200112.8T10 N44 D45 G49 A50T10-E47 VanDerWaalsContact CB-O 3.29Å; T10-E47 WeakPolarHBondContact CB-O 3.38Å; T10-E47 WeakPolarHBondContact CG2-O 3.44Å; N44-E47 HydrophobicContact CB-CG 4.4Å; N44-E47 PolarHBondContact ND2-OE1 2.81Å; D45-E47 PolarHBondContact O-N 2.85Å; E47-G49 PolarHBondContact O-N 3.11Å; E47-G49 VanDerWaalsContact O-N 3.09Å; E47-A50 HydrophobicContact CB-CB 4Å; E47-A50 WeakPolarHBondContact O-CB 3.49Å; E47-A50 PolarHBondContact O-N 2.97Å
48R93.7Very high92.4Very high116 Ų11664.8 Ų64.844%0.43834%0.342SS..THydrogen-bonded Turntrans-54.4120.1178.7175.9-176.3168.4-173.4-0.6110.5G11 S12 Q13 A16 A50G11-R48 CarbonylContact O-C 3.49Å; S12-R48 VanDerWaalsContact O-CZ 3.25Å; S12-R48 PolarHBondContact O-NE 3.18Å; S12-R48 PolarHBondContact O-NH2 3.32Å; Q13-R48 WeakPolarHBondContact O-CD 3.48Å; Q13-R48 WeakPolarHBondContact O-CG 3.27Å; Q13-R48 PolarHBondContact O-NE 3.43Å; Q13-R48 VanDerWaalsContact O-NE 3.08Å; A16-R48 HydrophobicContact CB-CG 4.44Å; R48-A50 VanDerWaalsContact C-N 3.27Å; R48-A50 PolarHBondContact O-N 2.86Å
49G94.6Very high92Very high44 Ų4469.2 Ų69.245%0.45437%0.366SS..THydrogen-bonded Turntrans775.2-179.200000115.2G11 E47G11-G49 PolarHBondContact O-N 3.36Å; E47-G49 PolarHBondContact O-N 3.11Å; E47-G49 VanDerWaalsContact O-N 3.09Å
50A96.3Very high91.8Very high18 Ų1871.7 Ų71.715%0.14938%0.375CS..  trans-74.7158.3179.200000112.7T10 E47 R48T10-A50 PolarHBondContact N-O 3.21Å; E47-A50 HydrophobicContact CB-CB 4Å; E47-A50 WeakPolarHBondContact O-CB 3.49Å; E47-A50 PolarHBondContact O-N 2.97Å; R48-A50 VanDerWaalsContact C-N 3.27Å; R48-A50 PolarHBondContact O-N 2.86Å
51V97.3Very high91.8Very high81 Ų8173.9 Ų73.949%0.49139%0.389SS..EExtended strand (participates in β ladder)trans-130.8114.8171.1-179.50000107.6T7 V8 A9T7-V51 HydrophobicContact CG2-CG1 3.38Å; V8-V51 WeakPolarHBondContact O-CA 3.36Å; A9-V51 HydrophobicContact CB-CG2 4.12Å
52D97.3Very high92.2Very high0 Ų068.5 Ų68.50%035%0.354CS..EExtended strand (participates in β ladder)trans-118.8132.5-170.5-68.7-55.4000111.8T7 V8 K40 Y43 F46 Y54T7-D52 CarbonylContact C-O 3.55Å; T7-D52 VanDerWaalsContact CA-O 3.25Å; T7-D52 WeakPolarHBondContact CA-O 3.33Å; V8-D52 PolarHBondContact N-O 3.01Å; V8-D52 PolarHBondContact O-N 2.87Å; K40-D52 IonicContact NZ-OD1 3.72Å; K40-D52 PolarHBondContact NZ-OD1 3.2Å; Y43-D52 WeakPolarHBondContact CE1-OD1 3.46Å; Y43-D52 PolarHBondContact OH-OD1 2.82Å; F46-D52 PolarHBondContact N-OD2 3.33Å; D52-Y54 HydrophobicContact CB-CE2 3.65Å; D52-Y54 VanDerWaalsContact CB-OH 3.23Å; D52-Y54 WeakPolarHBondContact CB-OH 3.11Å
53S96.7Very high92.7Very high60 Ų6060.4 Ų60.442%0.4232%0.316SS..EExtended strand (participates in β ladder)trans-114.6139.5179.6-57.70000112.8V6 T7 K40V6-S53 CarbonylContact O-C 3.59Å; V6-S53 VanDerWaalsContact O-CA 3.28Å; V6-S53 WeakPolarHBondContact O-CA 3.4Å; T7-S53 WeakPolarHBondContact CG2-OG 3.4Å; T7-S53 PolarHBondContact OG1-OG 3.36Å; K40-S53 WeakPolarHBondContact CE-O 3.18Å
54Y96.6Very high92.9Very high16 Ų1660.8 Ų60.86%0.06333%0.326CS..EExtended strand (participates in β ladder)trans-134.9149.7-177.1-50.1-92.5000110.4T5 V6 V8 L38 K40 D45 F46 D52T5-Y54 CarbonylContact C-O 3.51Å; T5-Y54 WeakPolarHBondContact CA-O 3.45Å; V6-Y54 PolarHBondContact N-O 3.22Å; V6-Y54 PolarHBondContact O-N 2.93Å; V8-Y54 HydrophobicContact CG2-CE2 4.45Å; L38-Y54 HydrophobicContact CB-CD1 4.13Å; L38-Y54 HydrophobicContact CB-CD2 4.22Å; L38-Y54 HydrophobicContact CB-CE1 4.04Å; L38-Y54 HydrophobicContact CB-CE2 4.13Å; L38-Y54 HydrophobicContact CB-CG 4.23Å; L38-Y54 HydrophobicContact CD1-CD2 4.12Å; L38-Y54 HydrophobicContact CD1-CE2 4.22Å; L38-Y54 HydrophobicContact CD2-CD1 4.35Å; L38-Y54 HydrophobicContact CD2-CD2 3.98Å; L38-Y54 HydrophobicContact CD2-CG 3.81Å; L38-Y54 HydrophobicContact CG-CD2 4.35Å; L38-Y54 HydrophobicContact CG-CG 4.48Å; K40-Y54 HydrophobicContact CD-CE1 4.43Å; K40-Y54 HydrophobicContact CG-CD1 4.17Å; K40-Y54 HydrophobicContact CG-CE1 3.84Å; D45-Y54 WeakPolarHBondContact CB-OH 3.18Å; D45-Y54 PolarHBondContact OD1-OH 3.11Å; F46-Y54 HydrophobicContact CE1-CE2 4.01Å; F46-Y54 WeakPolarHBondContact CE1-OH 3.43Å; F46-Y54 HydrophobicContact CZ-CE2 4.04Å; F46-Y54 AromaticContact CZ-CZ 3.73Å; F46-Y54 WeakPolarHBondContact CZ-OH 3.19Å; D52-Y54 HydrophobicContact CB-CE2 3.65Å; D52-Y54 VanDerWaalsContact CB-OH 3.23Å; D52-Y54 WeakPolarHBondContact CB-OH 3.11Å
55N94.7Very high93.2Very high112 Ų11256.9 Ų56.960%0.59931%0.305SS*.EExtended strand (participates in β ladder)trans-101.4114.6173.4-71-49000110Y4 T5Y4-N55 WeakPolarHBondContact O-CA 3.15Å; T5-N55 PolarHBondContact OG1-OD1 3.35Å
56V94.5Very high93.4Very high1 Ų157.3 Ų57.31%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-101.6114.3177.2-179.60000108.5Y4 V6 I24 L26 T36 L38 V58Y4-V56 PolarHBondContact N-O 3.08Å; Y4-V56 PolarHBondContact O-N 3.22Å; V6-V56 HydrophobicContact CB-CG2 4.32Å; V6-V56 HydrophobicContact CG2-CB 4.29Å; V6-V56 HydrophobicContact CG2-CG2 3.63Å; I24-V56 HydrophobicContact CG2-CG2 4.14Å; L26-V56 HydrophobicContact CD1-CG1 4.5Å; T36-V56 HydrophobicContact CG2-CG1 4.36Å; T36-V56 HydrophobicContact CG2-CG2 4.26Å; L38-V56 HydrophobicContact CD2-CG2 4.37Å; V56-V58 HydrophobicContact CG1-CG2 4.27Å
57K92.4Very high93.5Very high150 Ų15057.4 Ų57.465%0.65231%0.309SS*.EExtended strand (participates in β ladder)trans-88.9135.2175.1-66.5-179.6-177.3175.20109
58V92.8Very high93.6Very high7 Ų753.6 Ų53.64%0.04229%0.291CS..  trans-123.1141.1179.4-171.20000108.8M1 P2 Y4 V56 E60 L62M1-V58 WeakPolarHBondContact CA-O 3.36Å; M1-V58 WeakPolarHBondContact CB-O 3.32Å; P2-V58 WeakPolarHBondContact CD-O 3.42Å; P2-V58 HydrophobicContact CG-CB 4.4Å; P2-V58 PolarHBondContact O-N 2.69Å; Y4-V58 HydrophobicContact CD2-CB 4.46Å; Y4-V58 HydrophobicContact CD2-CG2 3.69Å; Y4-V58 HydrophobicContact CE2-CB 4.15Å; Y4-V58 HydrophobicContact CE2-CG2 3.76Å; V56-V58 HydrophobicContact CG1-CG2 4.27Å; V58-E60 WeakPolarHBondContact CG1-O 3.45Å; V58-L62 HydrophobicContact CG1-CD1 4.14Å; V58-L62 HydrophobicContact CG1-CD2 3.82Å; V58-L62 HydrophobicContact CG1-CG 3.95Å; V58-L62 HydrophobicContact CG2-CD1 4.15Å
59D88.1Confident93.8Very high101 Ų10151.1 Ų51.154%0.5428%0.283SS..SBendtrans-75.6-37.5-176.9-68.8-22.8000112.2M1M1-D59 WeakPolarHBondContact CE-OD1 3.13Å
60E87.1Confident93.9Very high146 Ų14649.2 Ų49.268%0.68226%0.263SS*.SBendtrans-114.6163.1-177.6-61.4-172.4167.500112.4V58V58-E60 WeakPolarHBondContact CG1-O 3.45Å
61N88.4Confident93.8Very high97 Ų9750.6 Ų50.652%0.51927%0.266SS..  trans-70.9131.8170.3-173.921.4000109.4E30 G63E30-N61 PolarHBondContact OE2-ND2 3.05Å; N61-G63 PolarHBondContact OD1-N 3Å
62L91.8Very high93.6Very high1 Ų146.8 Ų46.81%0.00524%0.243CC..  trans-90.9-13.7178.6-59.3-178.4000112.3Y4 L26 G28 T29 E30 C32 V58Y4-L62 HydrophobicContact CE2-CD1 4.14Å; L26-L62 HydrophobicContact CB-CD1 3.7Å; L26-L62 HydrophobicContact CD1-CD1 4.36Å; G28-L62 CarbonylContact C-O 3.58Å; G28-L62 VanDerWaalsContact C-O 3.25Å; G28-L62 WeakPolarHBondContact CA-O 3.12Å; T29-L62 PolarHBondContact N-O 3.14Å; E30-L62 PolarHBondContact N-O 2.94Å; C32-L62 VanDerWaalsContact C-CD2 3.49Å; V58-L62 HydrophobicContact CG1-CD1 4.14Å; V58-L62 HydrophobicContact CG1-CD2 3.82Å; V58-L62 HydrophobicContact CG1-CG 3.95Å; V58-L62 HydrophobicContact CG2-CD1 4.15Å
63G91Very high93.3Very high20 Ų2050.4 Ų50.421%0.20626%0.259CS..  trans67.3-145.5-164.300000110.7N61 V65N61-G63 PolarHBondContact OD1-N 3Å; G63-V65 PolarHBondContact O-N 3.06Å
64D91Very high93Very high124 Ų12452.3 Ų52.366%0.66326%0.259SS*.SBendtrans-74.8123177.8-68.9-26.4000110G28 T29 V66G28-D64 CarbonylContact C-O 3.56Å; G28-D64 WeakPolarHBondContact CA-O 3.23Å; T29-D64 HydrophobicContact CG2-CB 4.11Å; T29-D64 PolarHBondContact N-O 2.62Å; T29-D64 PolarHBondContact OG1-N 3.47Å; T29-D64 VanDerWaalsContact OG1-N 3.14Å; D64-V66 PolarHBondContact O-N 2.88Å
65V93.9Very high92.3Very high6 Ų658.6 Ų58.64%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-71.6116.2176-174.10000109.1Y4 L26 G63 I88 F98Y4-V65 HydrophobicContact CE1-CG2 3.97Å; L26-V65 HydrophobicContact CB-CG1 4.42Å; G63-V65 PolarHBondContact O-N 3.06Å; V65-I88 HydrophobicContact CG1-CD1 3.88Å; V65-F98 HydrophobicContact CB-CZ 4.48Å; V65-F98 HydrophobicContact CG1-CZ 3.9Å
66V93.7Very high91.4Very high18 Ų1862.2 Ų62.211%0.10929%0.29CS..EExtended strand (participates in β ladder)trans-110.7-26.2-174.2-70.20000113.1V27 T29 D64 V128V27-V66 WeakPolarHBondContact O-CG2 3.3Å; V27-V66 PolarHBondContact O-N 3.48Å; T29-V66 HydrophobicContact CG2-CG1 3.94Å; D64-V66 PolarHBondContact O-N 2.88Å; V66-V128 HydrophobicContact CB-CG1 4.23Å; V66-V128 HydrophobicContact CG2-CG1 4.39Å
67L97Very high90.6Very high8 Ų867.9 Ų67.94%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-135.7150.2174.8-52.4167.9000111.3V27 V111 L112 R113 I127 H131V27-L67 HydrophobicContact CB-CB 4.06Å; V27-L67 HydrophobicContact CG2-CB 4.44Å; V27-L67 PolarHBondContact N-O 3.09Å; V27-L67 PolarHBondContact O-N 2.79Å; V27-L67 VanDerWaalsContact O-N 3.11Å; L67-V111 HydrophobicContact CB-CG1 4.04Å; L67-V111 HydrophobicContact CD1-CG1 4.16Å; L67-V111 HydrophobicContact CD2-CG1 4.32Å; L67-V111 HydrophobicContact CG-CG1 4.42Å; L67-L112 CarbonylContact C-O 3.54Å; L67-L112 WeakPolarHBondContact CA-O 3.34Å; L67-R113 HydrophobicContact CD2-CB 4.02Å; L67-R113 HydrophobicContact CD2-CG 4.18Å; L67-I127 HydrophobicContact CD1-CG2 3.61Å; L67-H131 HydrophobicContact CD1-CB 4.02Å; L67-H131 HydrophobicContact CD2-CB 4.27Å
68V97.7Very high89.9Confident0 Ų064.6 Ų64.60%030%0.304CS..EExtended strand (participates in β ladder)trans-120.8125.9170.3172.20000108.5I24 L26 I70 V86 I88 F98 V111 L112I24-V68 HydrophobicContact CD1-CG1 3.68Å; I24-V68 HydrophobicContact CG1-CG1 3.76Å; L26-V68 HydrophobicContact CD2-CG2 4.29Å; V68-I70 HydrophobicContact CG1-CG1 3.97Å; V68-V86 HydrophobicContact CG1-CG1 4.44Å; V68-I88 HydrophobicContact CG2-CD1 3.44Å; V68-I88 VanDerWaalsContact CG2-CD1 3.44Å; V68-I88 HydrophobicContact CG2-CG1 4.49Å; V68-F98 HydrophobicContact CB-CD1 4.12Å; V68-F98 HydrophobicContact CB-CE1 4.46Å; V68-F98 HydrophobicContact CB-CG 4.27Å; V68-F98 HydrophobicContact CG2-CD1 3.69Å; V68-F98 HydrophobicContact CG2-CD2 3.72Å; V68-F98 HydrophobicContact CG2-CE1 3.73Å; V68-F98 HydrophobicContact CG2-CE2 3.75Å; V68-F98 HydrophobicContact CG2-CG 3.72Å; V68-F98 HydrophobicContact CG2-CZ 3.77Å; V68-V111 CarbonylContact O-C 3.53Å; V68-V111 WeakPolarHBondContact O-CA 3.28Å; V68-L112 HydrophobicContact CB-CB 4.4Å; V68-L112 PolarHBondContact N-O 3.2Å; V68-L112 PolarHBondContact O-N 3.12Å
69K97.3Very high89.5Confident63 Ų6366.7 Ų66.727%0.27432%0.315SS..EExtended strand (participates in β ladder)trans-101.1131.2172.7-56.8169.5152.4-1490108.9I24 T25 V27 E109 V110 V111I24-K69 CarbonylContact C-O 3.16Å; I24-K69 VanDerWaalsContact CA-O 3.32Å; I24-K69 WeakPolarHBondContact CA-O 3.38Å; I24-K69 WeakPolarHBondContact CG1-O 3.33Å; T25-K69 HydrophobicContact CG2-CD 4.34Å; T25-K69 PolarHBondContact N-O 3.43Å; T25-K69 PolarHBondContact O-N 3.19Å; V27-K69 HydrophobicContact CG2-CD 3.89Å; V27-K69 HydrophobicContact CG2-CG 4.11Å; K69-E109 HydrophobicContact CB-CG 4.22Å; K69-E109 VanDerWaalsContact CD-OE2 3.24Å; K69-E109 WeakPolarHBondContact CD-OE2 3.29Å; K69-E109 WeakPolarHBondContact CE-OE2 3.41Å; K69-E109 IonicContact NZ-OE2 3.45Å; K69-E109 PolarHBondContact NZ-OE2 2.89Å; K69-E109 VanDerWaalsContact NZ-OE2 3.11Å; K69-V110 CarbonylContact C-O 3.52Å; K69-V110 WeakPolarHBondContact CA-O 3.31Å; K69-V111 HydrophobicContact CG-CG1 4.22Å; K69-V111 HydrophobicContact CG-CG2 4.09Å
70I96.6Very high89.7Confident4 Ų463.8 Ų63.82%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-121125.3176.1-51.1174.6000107.5V22 Y23 V68 W81 V86 L104 E109 V110 L112V22-I70 HydrophobicContact CG1-CG2 3.84Å; Y23-I70 WeakPolarHBondContact O-CA 3.41Å; V68-I70 HydrophobicContact CG1-CG1 3.97Å; I70-W81 HydrophobicContact CG2-CZ3 3.89Å; I70-V86 HydrophobicContact CD1-CG2 3.7Å; I70-L104 HydrophobicContact CB-CD2 4.02Å; I70-L104 HydrophobicContact CG2-CD2 3.59Å; I70-E109 CarbonylContact O-C 3.56Å; I70-E109 WeakPolarHBondContact O-CA 3.25Å; I70-V110 PolarHBondContact N-O 2.9Å; I70-V110 PolarHBondContact O-N 3.07Å; I70-L112 HydrophobicContact CD1-CD1 3.66Å; I70-L112 HydrophobicContact CD1-CG 4.35Å
71E94.8Very high90Very high48 Ų4856.9 Ų56.922%0.22427%0.268CS..EExtended strand (participates in β ladder)trans-122119.5175.8-174.5-168.9-172.300108.2Y23 R35 K73Y23-E71 PolarHBondContact N-O 3.01Å; Y23-E71 PolarHBondContact O-N 2.83Å; R35-E71 IonicContact CZ-OE2 2.76Å; R35-E71 IonicContact NE-OE2 2.84Å; R35-E71 PolarHBondContact NE-OE2 2.87Å; R35-E71 IonicContact NH2-OE1 3.76Å; R35-E71 IonicContact NH2-OE2 3.05Å; R35-E71 PolarHBondContact NH2-OE2 3.09Å; E71-K73 HydrophobicContact CG-CG 4.42Å; E71-K73 WeakPolarHBondContact OE1-CE 3.35Å; E71-K73 IonicContact OE1-NZ 3.84Å
72K93.1Very high90.4Very high0 Ų053 Ų530%025%0.246CC..EExtended strand (participates in β ladder)trans-87.9137.7169.2-167.1173.768.868.70108.3D20 Y21 D79 W81 L104 D107D20-K72 HydrophobicContact CB-CD 3.98Å; D20-K72 HydrophobicContact CB-CG 3.62Å; D20-K72 IonicContact OD2-NZ 3.21Å; D20-K72 PolarHBondContact OD2-NZ 2.87Å; Y21-K72 CarbonylContact O-C 3.58Å; Y21-K72 WeakPolarHBondContact O-CA 3.33Å; K72-D79 VanDerWaalsContact CE-O 3.25Å; K72-D79 WeakPolarHBondContact CE-O 3.32Å; K72-D79 PolarHBondContact NZ-O 2.91Å; K72-W81 HydrophobicContact CD-CB 4.02Å; K72-L104 WeakPolarHBondContact CE-O 3.45Å; K72-D107 VanDerWaalsContact O-CA 3.29Å; K72-D107 WeakPolarHBondContact O-CA 3.39Å
73K90.6Very high90.6Very high76 Ų7653 Ų5333%0.3325%0.246SC..EExtended strand (participates in β ladder)trans-128.7130.6171.3-74.4-163.1174.9178.30110.8D20 Y21 Y23 E71 Y75 D107D20-K73 WeakPolarHBondContact CB-O 3.32Å; Y21-K73 PolarHBondContact N-O 3.02Å; Y21-K73 PolarHBondContact O-N 2.85Å; Y23-K73 HydrophobicContact CD2-CG 4.4Å; Y23-K73 HydrophobicContact CE2-CB 4.09Å; Y23-K73 HydrophobicContact CE2-CD 4.07Å; Y23-K73 HydrophobicContact CE2-CG 4.12Å; E71-K73 HydrophobicContact CG-CG 4.42Å; E71-K73 WeakPolarHBondContact OE1-CE 3.35Å; E71-K73 IonicContact OE1-NZ 3.84Å; K73-Y75 PolarHBondContact O-N 2.93Å; K73-D107 WeakPolarHBondContact CA-OD1 3.49Å
74K89.6Confident90.9Very high100 Ų10055.7 Ų55.744%0.43525%0.25SC..  trans-52.5125.7178-175.7172.9174176.10112.7D20 W76 D107D20-K74 VanDerWaalsContact OD1-CA 3.28Å; D20-K74 WeakPolarHBondContact OD1-CA 3.4Å; K74-W76 VanDerWaalsContact CE-C 3.48Å; K74-W76 WeakPolarHBondContact CE-O 3.42Å; K74-D107 PolarHBondContact N-OD1 3.31Å
75Y81.4Confident91.2Very high149 Ų14952.3 Ų52.358%0.58423%0.228SC*.SBendtrans-84.9-58.1169177.5-124.9000111.6D20 Y21 K73D20-Y75 PolarHBondContact OD1-N 2.99Å; Y21-Y75 HydrophobicContact CD2-CD2 4.39Å; Y21-Y75 HydrophobicContact CE1-CD2 4.22Å; Y21-Y75 AromaticContact CE2-CD2 3.41Å; Y21-Y75 HydrophobicContact CE2-CD2 3.41Å; Y21-Y75 VanDerWaalsContact CE2-CD2 3.41Å; Y21-Y75 HydrophobicContact CE2-CE2 4.25Å; Y21-Y75 HydrophobicContact CE2-CG 4.18Å; Y21-Y75 AromaticContact CZ-CD2 3.3Å; Y21-Y75 AromaticContact CZ-CE2 3.77Å; Y21-Y75 WeakPolarHBondContact OH-CD2 3.47Å; Y21-Y75 WeakPolarHBondContact OH-CE2 3.45Å; K73-Y75 PolarHBondContact O-N 2.93Å
76W76.8Confident91.5Very high188 Ų18852 Ų5271%0.71223%0.226SC*.SBendtrans-140.5-54.6-177.1-173.856.1000114.3K74K74-W76 VanDerWaalsContact CE-C 3.48Å; K74-W76 WeakPolarHBondContact CE-O 3.42Å
77M78.4Confident91.6Very high119 Ų11952.5 Ų52.559%0.58623%0.229SC*.SBendtrans-110.3153.6172.1-72.2-170.8176.400109.7D79M77-D79 PolarHBondContact O-N 3.29Å
78Q75.9Confident91.6Very high81 Ų8152.1 Ų52.138%0.37923%0.227SC..  trans-70.4123.7174.3178.165.735.700107.7D106Q78-D106 VanDerWaalsContact NE2-N 3.11Å
79D84.8Confident91.6Very high51 Ų5155.8 Ų55.827%0.27324%0.243SC..  trans-125.4147170.4-158.85.8000110.2T18 K72 M77T18-D79 WeakPolarHBondContact CA-OD2 3.34Å; K72-D79 VanDerWaalsContact CE-O 3.25Å; K72-D79 WeakPolarHBondContact CE-O 3.32Å; K72-D79 PolarHBondContact NZ-O 2.91Å; M77-D79 PolarHBondContact O-N 3.29Å
80D91.9Very high91.4Very high41 Ų4153.8 Ų53.822%0.21924%0.236CC..  trans-97.4139.9177-76.3-4.1000108.3G17 W103 V105 R166G17-D80 VanDerWaalsContact O-O 3.12Å; D80-W103 HydrophobicContact CB-CE3 3.8Å; D80-W103 HydrophobicContact CB-CZ3 3.99Å; D80-V105 WeakPolarHBondContact OD1-CG1 3.43Å; D80-R166 IonicContact OD2-NE 2.68Å
81W94.9Very high91Very high0 Ų056.9 Ų56.90%026%0.256CS..EExtended strand (participates in β ladder)trans-121.6129.2-178.5-179.448.8000111.3V8 T10 T18 V22 F46 I70 K72 C83 W103 L104V8-W81 HydrophobicContact CG1-CH2 3.47Å; V8-W81 VanDerWaalsContact CG1-CH2 3.47Å; V8-W81 HydrophobicContact CG1-CZ2 3.43Å; V8-W81 VanDerWaalsContact CG1-CZ2 3.43Å; T10-W81 PolarHBondContact OG1-NE1 2.79Å; T18-W81 HydrophobicContact CG2-CB 3.72Å; T18-W81 HydrophobicContact CG2-CD2 4.02Å; T18-W81 HydrophobicContact CG2-CG 3.48Å; T18-W81 VanDerWaalsContact CG2-CG 3.48Å; V22-W81 HydrophobicContact CG1-CH2 4.19Å; V22-W81 HydrophobicContact CG1-CZ3 3.9Å; V22-W81 HydrophobicContact CG2-CE3 4.28Å; V22-W81 HydrophobicContact CG2-CZ3 4.17Å; F46-W81 HydrophobicContact CD1-CH2 4.31Å; F46-W81 AromaticContact CD1-CZ2 3.71Å; F46-W81 HydrophobicContact CD1-CZ2 3.71Å; F46-W81 HydrophobicContact CE1-CH2 4.5Å; F46-W81 HydrophobicContact CE1-CZ2 4.31Å; F46-W81 HydrophobicContact CG-CZ2 4.31Å; I70-W81 HydrophobicContact CG2-CZ3 3.89Å; K72-W81 HydrophobicContact CD-CB 4.02Å; W81-C83 HydrophobicContact CD2-CB 4.42Å; W81-C83 HydrophobicContact CE3-CB 4.32Å; W81-C83 HydrophobicContact CH2-CB 3.87Å; W81-C83 HydrophobicContact CZ2-CB 3.98Å; W81-C83 HydrophobicContact CZ3-CB 4.07Å; W81-W103 CarbonylContact O-C 3.59Å; W81-W103 WeakPolarHBondContact O-CA 3.41Å; W81-L104 HydrophobicContact CE3-CB 4.21Å; W81-L104 HydrophobicContact CE3-CD1 4.12Å; W81-L104 HydrophobicContact CE3-CD2 3.87Å; W81-L104 HydrophobicContact CE3-CG 4.27Å; W81-L104 HydrophobicContact CZ3-CD1 4.4Å; W81-L104 HydrophobicContact CZ3-CD2 3.89Å; W81-L104 PolarHBondContact N-O 3.17Å; W81-L104 VanDerWaalsContact N-O 3.13Å; W81-L104 PolarHBondContact O-N 3.43Å
82Y95.4Very high90.7Very high17 Ų1759.3 Ų59.37%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-97.7108.8174-169.4-89.9000110.7G11 Q13 A16 R84 F101 W103G11-Y82 PolarHBondContact N-O 2.89Å; Q13-Y82 VanDerWaalsContact NE2-CE1 3.29Å; Q13-Y82 VanDerWaalsContact OE1-CD1 3.31Å; A16-Y82 PolarHBondContact O-N 2.83Å; Y82-R84 HydrophobicContact CD1-CG 4.22Å; Y82-R84 HydrophobicContact CE1-CG 4.04Å; Y82-F101 VanDerWaalsContact CZ-C 3.45Å; Y82-F101 WeakPolarHBondContact OH-CA 3.35Å; Y82-F101 PolarHBondContact OH-O 2.94Å; Y82-F101 VanDerWaalsContact OH-O 3.09Å; Y82-W103 AromaticContact CD2-CD1 3.62Å; Y82-W103 AromaticContact CD2-CD2 3.76Å; Y82-W103 HydrophobicContact CD2-CD2 3.76Å; Y82-W103 AromaticContact CD2-CE2 3.6Å; Y82-W103 HydrophobicContact CD2-CE3 4.49Å; Y82-W103 AromaticContact CD2-CG 3.79Å; Y82-W103 HydrophobicContact CD2-CG 3.79Å; Y82-W103 HydrophobicContact CD2-CZ2 4.23Å; Y82-W103 AromaticContact CD2-NE1 3.5Å; Y82-W103 AromaticContact CE2-NE1 3.95Å; Y82-W103 HydrophobicContact CG-CD2 4.4Å
83C97Very high90.5Very high0 Ų060.8 Ų60.80%029%0.293CS..EExtended strand (participates in β ladder)trans-93.8124.9175.8-179.30000109.9W81 C100 F101 R102 L104W81-C83 HydrophobicContact CD2-CB 4.42Å; W81-C83 HydrophobicContact CE3-CB 4.32Å; W81-C83 HydrophobicContact CH2-CB 3.87Å; W81-C83 HydrophobicContact CZ2-CB 3.98Å; W81-C83 HydrophobicContact CZ3-CB 4.07Å; C83-C100 HydrophobicContact CB-CB 4.26Å; C83-C100 WeakPolarHBondContact O-CB 3.27Å; C83-F101 WeakPolarHBondContact O-CA 3.31Å; C83-F101 PolarHBondContact O-N 3.25Å; C83-R102 PolarHBondContact N-O 2.79Å; C83-R102 VanDerWaalsContact N-O 3.11Å; C83-R102 PolarHBondContact O-N 3.4Å; C83-L104 HydrophobicContact CB-CD1 3.62Å
84R97.4Very high90.5Very high77 Ų7762 Ų6229%0.29130%0.303SS..EExtended strand (participates in β ladder)trans-79.8-58.9175.8-66179.167.3-158.8-2.3110.7A9 T10 Y82 C100 F101A9-R84 HydrophobicContact CB-CB 4.2Å; A9-R84 WeakPolarHBondContact O-CB 3.44Å; A9-R84 PolarHBondContact O-N 3.01Å; T10-R84 WeakPolarHBondContact O-CD 3.4Å; Y82-R84 HydrophobicContact CD1-CG 4.22Å; Y82-R84 HydrophobicContact CE1-CG 4.04Å; R84-C100 CarbonylContact O-C 3.55Å; R84-C100 WeakPolarHBondContact O-CA 3.36Å; R84-C100 WeakPolarHBondContact O-CB 3.4Å; R84-C100 PolarHBondContact O-N 3.43Å; R84-F101 HydrophobicContact CB-CD1 4.13Å; R84-F101 HydrophobicContact CB-CE1 3.89Å; R84-F101 HydrophobicContact CG-CD1 4.47Å; R84-F101 HydrophobicContact CG-CE1 4.41Å; R84-F101 PolarHBondContact O-N 3.05Å
85Y97.9Very high90.6Very high53 Ų5364.6 Ų64.621%0.20831%0.311CS..EExtended strand (participates in β ladder)trans-158.7162.7-17958.9-101.3000111.2A9 T87 F98A9-Y85 HydrophobicContact CB-CD1 3.97Å; A9-Y85 HydrophobicContact CB-CD2 3.94Å; A9-Y85 HydrophobicContact CB-CE1 3.61Å; A9-Y85 HydrophobicContact CB-CE2 3.57Å; A9-Y85 HydrophobicContact CB-CG 4.13Å; A9-Y85 PolarHBondContact N-O 3.08Å; Y85-T87 HydrophobicContact CD2-CG2 3.88Å; Y85-T87 HydrophobicContact CE2-CG2 4.01Å; Y85-F98 WeakPolarHBondContact CA-O 3.36Å
86V98.2Very high91.3Very high0 Ų059.1 Ų59.10%029%0.293CS..EExtended strand (participates in β ladder)trans-119133.7167.3-179.60000108.9V6 T7 V8 I24 V68 I70 I88 F98 L112V6-V86 HydrophobicContact CG1-CG1 3.87Å; T7-V86 CarbonylContact O-C 3.57Å; T7-V86 VanDerWaalsContact O-CA 3.27Å; T7-V86 WeakPolarHBondContact O-CA 3.32Å; V8-V86 HydrophobicContact CG2-CG2 4.29Å; I24-V86 HydrophobicContact CD1-CG1 4.2Å; V68-V86 HydrophobicContact CG1-CG1 4.44Å; I70-V86 HydrophobicContact CD1-CG2 3.7Å; V86-I88 HydrophobicContact CG1-CG1 4.41Å; V86-F98 HydrophobicContact CB-CB 4.3Å; V86-F98 PolarHBondContact N-O 2.94Å; V86-F98 WeakPolarHBondContact O-CB 3.46Å; V86-F98 PolarHBondContact O-N 2.9Å; V86-L112 HydrophobicContact CG2-CD1 4.23Å
87T97.9Very high92.2Very high27 Ų2752.3 Ų52.317%0.16627%0.27CS..EExtended strand (participates in β ladder)trans-113.3144.5167.666.70000110.7V6 T7 Y85 V96 E97V6-T87 CarbonylContact C-O 3.5Å; V6-T87 WeakPolarHBondContact CA-O 3.25Å; T7-T87 WeakPolarHBondContact CB-OG1 3.38Å; T7-T87 PolarHBondContact N-O 2.91Å; T7-T87 PolarHBondContact O-N 2.91Å; Y85-T87 HydrophobicContact CD2-CG2 3.88Å; Y85-T87 HydrophobicContact CE2-CG2 4.01Å; T87-V96 CarbonylContact C-O 3.49Å; T87-V96 WeakPolarHBondContact CA-O 3.34Å; T87-E97 HydrophobicContact CG2-CB 4.17Å; T87-E97 HydrophobicContact CG2-CG 4.01Å
88I97Very high93.2Very high0 Ų046.7 Ų46.70%024%0.242CC..EExtended strand (participates in β ladder)trans-123.1119.7178.9-61.3-177.9000107.9Y4 T5 L26 V65 V68 V86 Y95 V96 F98Y4-I88 HydrophobicContact CD1-CG2 3.75Å; Y4-I88 HydrophobicContact CG-CG2 4.49Å; T5-I88 WeakPolarHBondContact O-CA 3.19Å; L26-I88 HydrophobicContact CD1-CD1 4.43Å; L26-I88 HydrophobicContact CD2-CD1 3.47Å; L26-I88 VanDerWaalsContact CD2-CD1 3.47Å; L26-I88 HydrophobicContact CG-CD1 4.5Å; V65-I88 HydrophobicContact CG1-CD1 3.88Å; V68-I88 HydrophobicContact CG2-CD1 3.44Å; V68-I88 VanDerWaalsContact CG2-CD1 3.44Å; V68-I88 HydrophobicContact CG2-CG1 4.49Å; V86-I88 HydrophobicContact CG1-CG1 4.41Å; I88-Y95 WeakPolarHBondContact O-CA 3.44Å; I88-V96 PolarHBondContact N-O 2.99Å; I88-V96 PolarHBondContact O-N 3.09Å; I88-F98 HydrophobicContact CB-CE2 4.39Å; I88-F98 HydrophobicContact CD1-CD2 4.21Å; I88-F98 HydrophobicContact CD1-CE2 3.65Å; I88-F98 HydrophobicContact CD1-CZ 4.29Å; I88-F98 HydrophobicContact CG1-CD2 4.31Å; I88-F98 HydrophobicContact CG1-CE2 3.99Å
89K96.4Very high94.2Very high78 Ų7843.6 Ų43.634%0.33923%0.229SC..EExtended strand (participates in β ladder)trans-89.7118.2163.3-168.8-177.1-171.4158.40109Y4 T5 D94 Y95Y4-K89 WeakPolarHBondContact CA-O 3.42Å; T5-K89 PolarHBondContact N-O 2.93Å; T5-K89 PolarHBondContact O-N 3.11Å; K89-D94 CarbonylContact C-O 3.57Å; K89-D94 WeakPolarHBondContact CA-O 3.21Å; K89-Y95 HydrophobicContact CB-CD1 4.23Å; K89-Y95 HydrophobicContact CB-CE1 3.9Å; K89-Y95 HydrophobicContact CD-CE1 4.16Å; K89-Y95 HydrophobicContact CD-CE2 4.11Å; K89-Y95 WeakPolarHBondContact CD-OH 3.39Å; K89-Y95 WeakPolarHBondContact CE-OH 3.48Å; K89-Y95 HydrophobicContact CG-CD1 4.47Å; K89-Y95 HydrophobicContact CG-CD2 4.44Å; K89-Y95 HydrophobicContact CG-CE1 3.99Å; K89-Y95 HydrophobicContact CG-CE2 3.95Å; K89-Y95 PolarHBondContact NZ-OH 3.5Å; K89-Y95 VanDerWaalsContact NZ-OH 3.08Å
90T92.7Very high94.9Very high20 Ų2041.6 Ų41.612%0.12322%0.218CC..  trans-76.7164179.667.30000111.4Y4 C92 G93 D94Y4-T90 HydrophobicContact CE1-CG2 4.29Å; T90-C92 PolarHBondContact O-N 3.22Å; T90-C92 PolarHBondContact OG1-SG 3.09Å; T90-G93 PolarHBondContact O-N 3.36Å; T90-D94 HydrophobicContact CG2-CB 4.4Å; T90-D94 PolarHBondContact N-O 2.93Å; T90-D94 WeakPolarHBondContact OG1-CB 3.44Å; T90-D94 PolarHBondContact OG1-N 3.47Å; T90-D94 VanDerWaalsContact OG1-N 3.08Å; T90-D94 PolarHBondContact OG1-O 3.4Å
91P88.9Confident95.1Very high69 Ų6940.4 Ų40.445%0.44821%0.211SC..THydrogen-bonded Turntrans-57.9-28.8174.7-24.531.1000114.2P2 Y4 G93P2-P91 HydrophobicContact CB-CB 4.13Å; P2-P91 HydrophobicContact CB-CG 3.36Å; Y4-P91 HydrophobicContact CD2-CG 4.35Å; Y4-P91 HydrophobicContact CE1-CG 4.19Å; Y4-P91 HydrophobicContact CE2-CG 3.97Å; P91-G93 VanDerWaalsContact C-N 3.27Å
92C87.8Confident95.1Very high99 Ų9944.1 Ų44.167%0.66923%0.225SC*.THydrogen-bonded Turntrans-80.9-4.5175.546.30000113.6T90 D94T90-C92 PolarHBondContact O-N 3.22Å; T90-C92 PolarHBondContact OG1-SG 3.09Å; C92-D94 PolarHBondContact SG-OD2 3.1Å
93G88.9Confident95Very high32 Ų3244 Ų4433%0.3323%0.225SC..SBendtrans93.31.6176.300000114.8T90 P91 Y95T90-G93 PolarHBondContact O-N 3.36Å; P91-G93 VanDerWaalsContact C-N 3.27Å; G93-Y95 WeakPolarHBondContact O-CD2 3.48Å
94D90.3Very high94.9Very high100 Ų10044.1 Ų44.154%0.53523%0.225SC..  trans-72.2153.7174.8-59.8-50000111.1K89 T90 C92K89-D94 CarbonylContact C-O 3.57Å; K89-D94 WeakPolarHBondContact CA-O 3.21Å; T90-D94 HydrophobicContact CG2-CB 4.4Å; T90-D94 PolarHBondContact N-O 2.93Å; T90-D94 WeakPolarHBondContact OG1-CB 3.44Å; T90-D94 PolarHBondContact OG1-N 3.47Å; T90-D94 VanDerWaalsContact OG1-N 3.08Å; T90-D94 PolarHBondContact OG1-O 3.4Å; C92-D94 PolarHBondContact SG-OD2 3.1Å
95Y93.4Very high94.5Very high155 Ų15542.3 Ų42.361%0.60822%0.223SC*.EExtended strand (participates in β ladder)trans-116.8131.3178.8-75.1-98.5000110.3I88 K89 G93I88-Y95 WeakPolarHBondContact O-CA 3.44Å; K89-Y95 HydrophobicContact CB-CD1 4.23Å; K89-Y95 HydrophobicContact CB-CE1 3.9Å; K89-Y95 HydrophobicContact CD-CE1 4.16Å; K89-Y95 HydrophobicContact CD-CE2 4.11Å; K89-Y95 WeakPolarHBondContact CD-OH 3.39Å; K89-Y95 WeakPolarHBondContact CE-OH 3.48Å; K89-Y95 HydrophobicContact CG-CD1 4.47Å; K89-Y95 HydrophobicContact CG-CD2 4.44Å; K89-Y95 HydrophobicContact CG-CE1 3.99Å; K89-Y95 HydrophobicContact CG-CE2 3.95Å; K89-Y95 PolarHBondContact NZ-OH 3.5Å; K89-Y95 VanDerWaalsContact NZ-OH 3.08Å; G93-Y95 WeakPolarHBondContact O-CD2 3.48Å
96V94.9Very high93.9Very high35 Ų3542.9 Ų42.921%0.21223%0.23CC..EExtended strand (participates in β ladder)trans-124.7130.4173.5-169.30000108.6T87 I88 F98 D114T87-V96 CarbonylContact C-O 3.49Å; T87-V96 WeakPolarHBondContact CA-O 3.34Å; I88-V96 PolarHBondContact N-O 2.99Å; I88-V96 PolarHBondContact O-N 3.09Å; V96-F98 HydrophobicContact CB-CE2 3.8Å; V96-F98 HydrophobicContact CB-CZ 4.29Å; V96-F98 HydrophobicContact CG1-CD2 4.3Å; V96-F98 HydrophobicContact CG1-CE2 3.45Å; V96-F98 VanDerWaalsContact CG1-CE2 3.45Å; V96-F98 HydrophobicContact CG1-CZ 3.57Å; V96-D114 HydrophobicContact CG1-CB 4Å
97E97.1Very high93.2Very high45 Ų4547.2 Ų47.221%0.2125%0.253CS..EExtended strand (participates in β ladder)trans-109.2138.5-179.9-178.5171.9170.300110.5T87 G115 I626T87-E97 HydrophobicContact CG2-CB 4.17Å; T87-E97 HydrophobicContact CG2-CG 4.01Å; E97-G115 PolarHBondContact O-N 2.93Å; E97-I626 HydrophobicContact CB-CD1 4.19Å; E97-I626 HydrophobicContact CB-CG2 4.43Å; E97-I626 HydrophobicContact CG-CG2 4.15Å
98F98.2Very high92.5Very high0 Ų052.1 Ų52.10%027%0.272CS..EExtended strand (participates in β ladder)trans-123.690-177.8-63.2-96.8000108.5V65 V68 Y85 V86 I88 V96 C100 L112 R113 D114V65-F98 HydrophobicContact CB-CZ 4.48Å; V65-F98 HydrophobicContact CG1-CZ 3.9Å; V68-F98 HydrophobicContact CB-CD1 4.12Å; V68-F98 HydrophobicContact CB-CE1 4.46Å; V68-F98 HydrophobicContact CB-CG 4.27Å; V68-F98 HydrophobicContact CG2-CD1 3.69Å; V68-F98 HydrophobicContact CG2-CD2 3.72Å; V68-F98 HydrophobicContact CG2-CE1 3.73Å; V68-F98 HydrophobicContact CG2-CE2 3.75Å; V68-F98 HydrophobicContact CG2-CG 3.72Å; V68-F98 HydrophobicContact CG2-CZ 3.77Å; Y85-F98 WeakPolarHBondContact CA-O 3.36Å; V86-F98 HydrophobicContact CB-CB 4.3Å; V86-F98 PolarHBondContact N-O 2.94Å; V86-F98 WeakPolarHBondContact O-CB 3.46Å; V86-F98 PolarHBondContact O-N 2.9Å; I88-F98 HydrophobicContact CB-CE2 4.39Å; I88-F98 HydrophobicContact CD1-CD2 4.21Å; I88-F98 HydrophobicContact CD1-CE2 3.65Å; I88-F98 HydrophobicContact CD1-CZ 4.29Å; I88-F98 HydrophobicContact CG1-CD2 4.31Å; I88-F98 HydrophobicContact CG1-CE2 3.99Å; V96-F98 HydrophobicContact CB-CE2 3.8Å; V96-F98 HydrophobicContact CB-CZ 4.29Å; V96-F98 HydrophobicContact CG1-CD2 4.3Å; V96-F98 HydrophobicContact CG1-CE2 3.45Å; V96-F98 VanDerWaalsContact CG1-CE2 3.45Å; V96-F98 HydrophobicContact CG1-CZ 3.57Å; F98-C100 PolarHBondContact O-N 3.36Å; F98-L112 HydrophobicContact CB-CB 4.08Å; F98-L112 HydrophobicContact CB-CD1 4.19Å; F98-L112 HydrophobicContact CD1-CB 4.36Å; F98-R113 WeakPolarHBondContact CD1-O 3.44Å; F98-D114 HydrophobicContact CD1-CB 4.49Å; F98-D114 HydrophobicContact CE1-CB 4.04Å; F98-D114 HydrophobicContact CZ-CB 4.39Å
99P97.9Very high92.3Very high17 Ų1756 Ų5611%0.1129%0.29CS..EExtended strand (participates in β ladder)trans-57.5130.9173.6-2737.4000111.4F101 I626P99-F101 HydrophobicContact CB-CD2 4.12Å; P99-F101 HydrophobicContact CB-CE2 3.85Å; P99-I626 HydrophobicContact CG-CG2 4.16Å
100C97.5Very high92.2Very high8 Ų853.3 Ų53.35%0.05428%0.28CS..EExtended strand (participates in β ladder)trans-114.2-67.2177.8-175.60000110.8C83 R84 F98 R102 L112C83-C100 HydrophobicContact CB-CB 4.26Å; C83-C100 WeakPolarHBondContact O-CB 3.27Å; R84-C100 CarbonylContact O-C 3.55Å; R84-C100 WeakPolarHBondContact O-CA 3.36Å; R84-C100 WeakPolarHBondContact O-CB 3.4Å; R84-C100 PolarHBondContact O-N 3.43Å; F98-C100 PolarHBondContact O-N 3.36Å; C100-R102 VanDerWaalsContact C-N 3.29Å; C100-R102 WeakPolarHBondContact O-CG 3.33Å; C100-R102 PolarHBondContact O-N 3.26Å; C100-L112 HydrophobicContact CB-CD1 3.76Å; C100-L112 HydrophobicContact CB-CD2 3.89Å
101F96.6Very high92.4Very high16 Ų1654 Ų547%0.0728%0.284CS..EExtended strand (participates in β ladder)trans49.843.2-179.2-55.8-68.5000114Y82 C83 R84 P99 D622 H624Y82-F101 VanDerWaalsContact CZ-C 3.45Å; Y82-F101 WeakPolarHBondContact OH-CA 3.35Å; Y82-F101 PolarHBondContact OH-O 2.94Å; Y82-F101 VanDerWaalsContact OH-O 3.09Å; C83-F101 WeakPolarHBondContact O-CA 3.31Å; C83-F101 PolarHBondContact O-N 3.25Å; R84-F101 HydrophobicContact CB-CD1 4.13Å; R84-F101 HydrophobicContact CB-CE1 3.89Å; R84-F101 HydrophobicContact CG-CD1 4.47Å; R84-F101 HydrophobicContact CG-CE1 4.41Å; R84-F101 PolarHBondContact O-N 3.05Å; P99-F101 HydrophobicContact CB-CD2 4.12Å; P99-F101 HydrophobicContact CB-CE2 3.85Å; F101-D622 HydrophobicContact CD1-CB 3.66Å; F101-D622 WeakPolarHBondContact CD1-OD1 3.39Å; F101-D622 HydrophobicContact CD2-CB 4.13Å; F101-D622 HydrophobicContact CE1-CB 3.73Å; F101-D622 WeakPolarHBondContact CE1-OD1 3.34Å; F101-D622 HydrophobicContact CE2-CB 4.16Å; F101-D622 HydrophobicContact CG-CB 3.88Å; F101-D622 HydrophobicContact CZ-CB 4Å; F101-H624 AromaticContact CD2-CE1 3.46Å; F101-H624 VanDerWaalsContact CD2-CE1 3.46Å; F101-H624 WeakPolarHBondContact CD2-CE1 3.42Å; F101-H624 AromaticContact CD2-ND1 3.7Å; F101-H624 AromaticContact CD2-NE2 3.74Å; F101-H624 AromaticContact CG-CE1 3.98Å
102R94.4Very high92.8Very high78 Ų7851.3 Ų51.329%0.29427%0.266SS..EExtended strand (participates in β ladder)trans-141.7158.7-173-73.2178.571.1-176.40.2112.6C83 C100 D167C83-R102 PolarHBondContact N-O 2.79Å; C83-R102 VanDerWaalsContact N-O 3.11Å; C83-R102 PolarHBondContact O-N 3.4Å; C100-R102 VanDerWaalsContact C-N 3.29Å; C100-R102 WeakPolarHBondContact O-CG 3.33Å; C100-R102 PolarHBondContact O-N 3.26Å; R102-D167 WeakPolarHBondContact CB-OD1 3.04Å; R102-D167 IonicContact CZ-OD2 2.81Å; R102-D167 IonicContact NE-OD1 2.72Å; R102-D167 IonicContact NE-OD2 3.46Å; R102-D167 PolarHBondContact NE-OD2 3.03Å; R102-D167 IonicContact NH2-OD2 3.73Å; R102-D167 PolarHBondContact NH2-OD2 2.92Å
103W94.3Very high93.2Very high15 Ų1547.6 Ų47.66%0.05724%0.238CC..EExtended strand (participates in β ladder)trans-85.8122.4173.9-70.896.7000110.2Q13 F15 A16 D80 W81 Y82 V105 R166 D167Q13-W103 HydrophobicContact CB-CZ2 4.35Å; F15-W103 WeakPolarHBondContact O-CH2 3.49Å; F15-W103 VanDerWaalsContact O-CZ3 3.24Å; F15-W103 WeakPolarHBondContact O-CZ3 3.28Å; A16-W103 HydrophobicContact CB-CH2 4.44Å; D80-W103 HydrophobicContact CB-CE3 3.8Å; D80-W103 HydrophobicContact CB-CZ3 3.99Å; W81-W103 CarbonylContact O-C 3.59Å; W81-W103 WeakPolarHBondContact O-CA 3.41Å; Y82-W103 AromaticContact CD2-CD1 3.62Å; Y82-W103 AromaticContact CD2-CD2 3.76Å; Y82-W103 HydrophobicContact CD2-CD2 3.76Å; Y82-W103 AromaticContact CD2-CE2 3.6Å; Y82-W103 HydrophobicContact CD2-CE3 4.49Å; Y82-W103 AromaticContact CD2-CG 3.79Å; Y82-W103 HydrophobicContact CD2-CG 3.79Å; Y82-W103 HydrophobicContact CD2-CZ2 4.23Å; Y82-W103 AromaticContact CD2-NE1 3.5Å; Y82-W103 AromaticContact CE2-NE1 3.95Å; Y82-W103 HydrophobicContact CG-CD2 4.4Å; W103-V105 HydrophobicContact CB-CG2 4.1Å; W103-R166 HydrophobicContact CB-CB 4Å; W103-R166 HydrophobicContact CB-CG 3.47Å; W103-R166 VanDerWaalsContact CB-CG 3.47Å; W103-R166 HydrophobicContact CD2-CG 3.91Å; W103-R166 HydrophobicContact CG-CB 4.35Å; W103-R166 HydrophobicContact CG-CG 3.42Å; W103-R166 VanDerWaalsContact CG-CG 3.42Å; W103-D167 PolarHBondContact N-OD1 3.01Å
104L93.9Very high93.4Very high2 Ų246.4 Ų46.41%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-89.2109.8169.4-74.481.5000108I70 K72 W81 C83 V110I70-L104 HydrophobicContact CB-CD2 4.02Å; I70-L104 HydrophobicContact CG2-CD2 3.59Å; K72-L104 WeakPolarHBondContact CE-O 3.45Å; W81-L104 HydrophobicContact CE3-CB 4.21Å; W81-L104 HydrophobicContact CE3-CD1 4.12Å; W81-L104 HydrophobicContact CE3-CD2 3.87Å; W81-L104 HydrophobicContact CE3-CG 4.27Å; W81-L104 HydrophobicContact CZ3-CD1 4.4Å; W81-L104 HydrophobicContact CZ3-CD2 3.89Å; W81-L104 PolarHBondContact N-O 3.17Å; W81-L104 VanDerWaalsContact N-O 3.13Å; W81-L104 PolarHBondContact O-N 3.43Å; C83-L104 HydrophobicContact CB-CD1 3.62Å; L104-V110 HydrophobicContact CD2-CB 4.24Å; L104-V110 HydrophobicContact CD2-CG2 4.12Å; L104-V110 HydrophobicContact CG-CB 4.38Å; L104-V110 HydrophobicContact CG-CG2 3.84Å
105V90.1Very high93.6Very high40 Ų4041.6 Ų41.624%0.24220%0.198CC..  trans-118144.2-175.4-175.30000109.1D80 W103 R166D80-V105 WeakPolarHBondContact OD1-CG1 3.43Å; W103-V105 HydrophobicContact CB-CG2 4.1Å; V105-R166 HydrophobicContact CG2-CB 3.76Å; V105-R166 HydrophobicContact CG2-CG 3.94Å
106D84.5Confident93.8Very high64 Ų6439.9 Ų39.934%0.34219%0.191SC..THydrogen-bonded Turntrans57.6-167.1-175.7-46.4-47.1000113.5Q78 K108Q78-D106 VanDerWaalsContact NE2-N 3.11Å; D106-K108 HydrophobicContact CB-CG 4.37Å; D106-K108 PolarHBondContact O-N 3.07Å; D106-K108 VanDerWaalsContact O-N 3.17Å; D106-K108 IonicContact OD2-NZ 3.56Å; D106-K108 PolarHBondContact OD2-NZ 3.35Å
107D83.4Confident94Very high91 Ų9138.5 Ų38.549%0.48718%0.183SC..THydrogen-bonded Turntrans-85.246.2175-61.4-23.6000111.9K72 K73 K74K72-D107 VanDerWaalsContact O-CA 3.29Å; K72-D107 WeakPolarHBondContact O-CA 3.39Å; K73-D107 WeakPolarHBondContact CA-OD1 3.49Å; K74-D107 PolarHBondContact N-OD1 3.31Å
108K84.7Confident94Very high130 Ų13038.4 Ų38.457%0.56518%0.182SC*.PPolyproline II helixtrans-100.1137.6-176.8-70.9175.5-173.8137.40112D106D106-K108 HydrophobicContact CB-CG 4.37Å; D106-K108 PolarHBondContact O-N 3.07Å; D106-K108 VanDerWaalsContact O-N 3.17Å; D106-K108 IonicContact OD2-NZ 3.56Å; D106-K108 PolarHBondContact OD2-NZ 3.35Å
109E91.9Very high94Very high83 Ų8338.4 Ų38.439%0.38818%0.182SC..EExtended strand (participates in β ladder)trans-72.6124.9169.6-175.5-169.86700109.8K69 I70 V111K69-E109 HydrophobicContact CB-CG 4.22Å; K69-E109 VanDerWaalsContact CD-OE2 3.24Å; K69-E109 WeakPolarHBondContact CD-OE2 3.29Å; K69-E109 WeakPolarHBondContact CE-OE2 3.41Å; K69-E109 IonicContact NZ-OE2 3.45Å; K69-E109 PolarHBondContact NZ-OE2 2.89Å; K69-E109 VanDerWaalsContact NZ-OE2 3.11Å; I70-E109 CarbonylContact O-C 3.56Å; I70-E109 WeakPolarHBondContact O-CA 3.25Å; E109-V111 HydrophobicContact CG-CG2 4.08Å
110V94.3Very high94Very high21 Ų2138.6 Ų38.613%0.12718%0.183CC..EExtended strand (participates in β ladder)trans-103.1130.5165.7175.50000108.5K69 I70 L104 L112K69-V110 CarbonylContact C-O 3.52Å; K69-V110 WeakPolarHBondContact CA-O 3.31Å; I70-V110 PolarHBondContact N-O 2.9Å; I70-V110 PolarHBondContact O-N 3.07Å; L104-V110 HydrophobicContact CD2-CB 4.24Å; L104-V110 HydrophobicContact CD2-CG2 4.12Å; L104-V110 HydrophobicContact CG-CB 4.38Å; L104-V110 HydrophobicContact CG-CG2 3.84Å; V110-L112 HydrophobicContact CG1-CD2 3.72Å; V110-L112 HydrophobicContact CG1-CG 4.41Å
111V96.9Very high93.9Very high35 Ų3541.8 Ų41.821%0.21220%0.197CC..EExtended strand (participates in β ladder)trans-110.9122.9177-170.60000108.2L67 V68 K69 E109 H131L67-V111 HydrophobicContact CB-CG1 4.04Å; L67-V111 HydrophobicContact CD1-CG1 4.16Å; L67-V111 HydrophobicContact CD2-CG1 4.32Å; L67-V111 HydrophobicContact CG-CG1 4.42Å; V68-V111 CarbonylContact O-C 3.53Å; V68-V111 WeakPolarHBondContact O-CA 3.28Å; K69-V111 HydrophobicContact CG-CG1 4.22Å; K69-V111 HydrophobicContact CG-CG2 4.09Å; E109-V111 HydrophobicContact CG-CG2 4.08Å; V111-H131 PolarHBondContact O-CE1 2.78Å; V111-H131 VanDerWaalsContact O-CE1 3.29Å
112L97.3Very high93.9Very high12 Ų1243.4 Ų43.46%0.06321%0.207CC..EExtended strand (participates in β ladder)trans-104.7146.6178.9-52.9-179.4000109.9L67 V68 I70 V86 F98 C100 V110L67-L112 CarbonylContact C-O 3.54Å; L67-L112 WeakPolarHBondContact CA-O 3.34Å; V68-L112 HydrophobicContact CB-CB 4.4Å; V68-L112 PolarHBondContact N-O 3.2Å; V68-L112 PolarHBondContact O-N 3.12Å; I70-L112 HydrophobicContact CD1-CD1 3.66Å; I70-L112 HydrophobicContact CD1-CG 4.35Å; V86-L112 HydrophobicContact CG2-CD1 4.23Å; F98-L112 HydrophobicContact CB-CB 4.08Å; F98-L112 HydrophobicContact CB-CD1 4.19Å; F98-L112 HydrophobicContact CD1-CB 4.36Å; C100-L112 HydrophobicContact CB-CD1 3.76Å; C100-L112 HydrophobicContact CB-CD2 3.89Å; V110-L112 HydrophobicContact CG1-CD2 3.72Å; V110-L112 HydrophobicContact CG1-CG 4.41Å
113R96.5Very high94Very high21 Ų2140 Ų408%0.07919%0.194CC..EExtended strand (participates in β ladder)trans-106.8157.2171.2-172.2161.9172.1-176.4-1109.9L67 F98 F118 D123 V389L67-R113 HydrophobicContact CD2-CB 4.02Å; L67-R113 HydrophobicContact CD2-CG 4.18Å; F98-R113 WeakPolarHBondContact CD1-O 3.44Å; R113-F118 VanDerWaalsContact NH2-CD2 3.3Å; R113-D123 IonicContact CZ-OD1 3.42Å; R113-D123 IonicContact CZ-OD2 3.21Å; R113-D123 IonicContact NH1-OD1 3.21Å; R113-D123 PolarHBondContact NH1-OD1 2.79Å; R113-D123 IonicContact NH1-OD2 2.83Å; R113-D123 PolarHBondContact NH1-OD2 3.19Å; R113-D123 IonicContact NH2-OD1 3.89Å; R113-D123 PolarHBondContact NH2-OD1 2.95Å; R113-D123 IonicContact NH2-OD2 2.72Å; R113-V389 HydrophobicContact CB-CB 4.48Å; R113-V389 HydrophobicContact CB-CG2 4.5Å; R113-V389 HydrophobicContact CG-CB 4.39Å; R113-V389 HydrophobicContact CG-CG2 3.98Å
114D92.1Very high93.7Very high6 Ų648.3 Ų48.33%0.03223%0.231CC..  trans-55.8150.2175.979.1104.8000111.6V96 F98 R116 F118V96-D114 HydrophobicContact CG1-CB 4Å; F98-D114 HydrophobicContact CD1-CB 4.49Å; F98-D114 HydrophobicContact CE1-CB 4.04Å; F98-D114 HydrophobicContact CZ-CB 4.39Å; D114-R116 PolarHBondContact O-N 3.11Å; D114-R116 VanDerWaalsContact OD1-CB 3.31Å; D114-R116 WeakPolarHBondContact OD1-CB 3.47Å; D114-R116 IonicContact OD1-CZ 2.85Å; D114-R116 VanDerWaalsContact OD1-CZ 3.31Å; D114-R116 PolarHBondContact OD1-N 3.06Å; D114-R116 IonicContact OD1-NE 2.65Å; D114-R116 PolarHBondContact OD1-NE 2.91Å; D114-R116 IonicContact OD1-NH2 2.65Å; D114-R116 PolarHBondContact OD1-NH2 2.87Å; D114-R116 IonicContact OD2-NH2 3.23Å; D114-F118 WeakPolarHBondContact OD2-CE2 3.18Å
115G95.4Very high93.6Very high0 Ų050.8 Ų50.80%025%0.246CC..SBendtrans-71.1-11.5-16900000115.4E97 K394E97-G115 PolarHBondContact O-N 2.93Å; G115-K394 PolarHBondContact O-NZ 3.25Å; G115-K394 VanDerWaalsContact O-NZ 3.12Å
116R97.4Very high93.7Very high118 Ų11852.6 Ų52.645%0.44526%0.261SS..SBendtrans-63.7139.4174.4-63.8172.2-67.4-169.9-2.8109.2D114 F118 V389 E627D114-R116 PolarHBondContact O-N 3.11Å; D114-R116 VanDerWaalsContact OD1-CB 3.31Å; D114-R116 WeakPolarHBondContact OD1-CB 3.47Å; D114-R116 IonicContact OD1-CZ 2.85Å; D114-R116 VanDerWaalsContact OD1-CZ 3.31Å; D114-R116 PolarHBondContact OD1-N 3.06Å; D114-R116 IonicContact OD1-NE 2.65Å; D114-R116 PolarHBondContact OD1-NE 2.91Å; D114-R116 IonicContact OD1-NH2 2.65Å; D114-R116 PolarHBondContact OD1-NH2 2.87Å; D114-R116 IonicContact OD2-NH2 3.23Å; R116-F118 HydrophobicContact CB-CD2 4.41Å; R116-F118 HydrophobicContact CB-CE2 3.73Å; R116-F118 HydrophobicContact CB-CZ 4.07Å; R116-F118 WeakPolarHBondContact O-CD2 3.07Å; R116-V389 WeakPolarHBondContact O-CG2 3.23Å; R116-E627 HydrophobicContact CB-CG 4.36Å; R116-E627 HydrophobicContact CG-CG 4.08Å
117A98.4Very high94.2Very high7 Ų752.3 Ų52.36%0.05826%0.259CS..  trans-81.5138.2178.300000110.7V389 P391 K394 Y492 F625 E627A117-V389 VanDerWaalsContact CA-O 3.27Å; A117-V389 WeakPolarHBondContact CA-O 3.03Å; A117-P391 HydrophobicContact CB-CB 3.78Å; A117-P391 HydrophobicContact CB-CG 4.37Å; A117-K394 HydrophobicContact CB-CD 3.79Å; A117-Y492 HydrophobicContact CB-CD1 4.17Å; A117-Y492 HydrophobicContact CB-CE1 3.55Å; A117-Y492 HydrophobicContact CB-CE2 4.46Å; A117-F625 HydrophobicContact CB-CD1 4.43Å; A117-F625 HydrophobicContact CB-CE1 3.97Å; A117-E627 PolarHBondContact N-OE2 2.76Å
118F97.9Very high94.8Very high43 Ų4348.4 Ų48.419%0.18924%0.238CC..  trans-132.5138.2-179.1-71.1-76.2000110.8R113 D114 R116 D122 R132 V389R113-F118 VanDerWaalsContact NH2-CD2 3.3Å; D114-F118 WeakPolarHBondContact OD2-CE2 3.18Å; R116-F118 HydrophobicContact CB-CD2 4.41Å; R116-F118 HydrophobicContact CB-CE2 3.73Å; R116-F118 HydrophobicContact CB-CZ 4.07Å; R116-F118 WeakPolarHBondContact O-CD2 3.07Å; F118-D122 HydrophobicContact CB-CB 4.37Å; F118-D122 HydrophobicContact CD1-CB 3.72Å; F118-R132 PolarHBondContact O-NH2 3.34Å; F118-V389 HydrophobicContact CB-CG2 4.09Å; F118-V389 HydrophobicContact CD2-CG2 3.75Å; F118-V389 HydrophobicContact CG-CG2 4.42Å; F118-V389 PolarHBondContact N-O 3.42Å; F118-V389 VanDerWaalsContact N-O 3.13Å
119L98.5Very high95.3Very high0 Ų047.5 Ų47.50%023%0.234CC..  trans-80.9158.6165.8-58.1-178.2000109.8Q121 D122 R132 P391 Y492 Y493L119-Q121 VanDerWaalsContact CB-OE1 3.23Å; L119-Q121 PolarHBondContact O-N 2.93Å; L119-Q121 VanDerWaalsContact O-N 3.12Å; L119-D122 VanDerWaalsContact CB-OD2 3.28Å; L119-D122 WeakPolarHBondContact CB-OD2 3.26Å; L119-D122 PolarHBondContact N-OD2 2.62Å; L119-D122 PolarHBondContact O-N 3.39Å; L119-R132 PolarHBondContact O-NH2 2.91Å; L119-P391 HydrophobicContact CD2-CG 3.57Å; L119-Y492 WeakPolarHBondContact CD1-O 3.26Å; L119-Y493 HydrophobicContact CD1-CD1 3.9Å; L119-Y493 HydrophobicContact CD1-CE1 3.71Å; L119-Y493 HydrophobicContact CD1-CG 4.41Å; L119-Y493 HydrophobicContact CD2-CE1 3.91Å; L119-Y493 HydrophobicContact CD2-CE2 4Å; L119-Y493 VanDerWaalsContact CD2-CZ 3.47Å; L119-Y493 VanDerWaalsContact CD2-OH 3.27Å; L119-Y493 WeakPolarHBondContact CD2-OH 3.46Å; L119-Y493 HydrophobicContact CG-CE1 4.49Å
120P97.9Very high95.5Very high20 Ų2050 Ų5013%0.1325%0.246CC..G310 helixtrans-56.6-29.417721.5-33.2000112.7D122 E503 E504P120-D122 VanDerWaalsContact C-N 3.31Å; P120-D122 PolarHBondContact O-N 3.45Å; P120-E503 HydrophobicContact CG-CG 4.49Å; P120-E504 HydrophobicContact CB-CG 4.49Å; P120-E504 HydrophobicContact CG-CG 4.21Å
121Q96.3Very high95.7Very high76 Ų7650.2 Ų50.236%0.35525%0.245SC..G310 helixtrans-75.5-16.5178.7-34.491.221.100113.8L119 G501L119-Q121 VanDerWaalsContact CB-OE1 3.23Å; L119-Q121 PolarHBondContact O-N 2.93Å; L119-Q121 VanDerWaalsContact O-N 3.12Å; Q121-G501 PolarHBondContact NE2-O 2.76Å
122D96.3Very high95.7Very high50 Ų5049.1 Ų49.127%0.26724%0.237SC..G310 helixtrans-84.4-16.7179.1-59-47.1000112.7F118 L119 P120 K124 R498F118-D122 HydrophobicContact CB-CB 4.37Å; F118-D122 HydrophobicContact CD1-CB 3.72Å; L119-D122 VanDerWaalsContact CB-OD2 3.28Å; L119-D122 WeakPolarHBondContact CB-OD2 3.26Å; L119-D122 PolarHBondContact N-OD2 2.62Å; L119-D122 PolarHBondContact O-N 3.39Å; P120-D122 VanDerWaalsContact C-N 3.31Å; P120-D122 PolarHBondContact O-N 3.45Å; D122-K124 PolarHBondContact O-N 3.01Å; D122-K124 VanDerWaalsContact O-N 3.16Å; D122-R498 VanDerWaalsContact CG-NH2 3.28Å; D122-R498 IonicContact OD1-CZ 3Å; D122-R498 IonicContact OD1-NH1 3.31Å; D122-R498 PolarHBondContact OD1-NH1 3.43Å; D122-R498 IonicContact OD1-NH2 3.86Å; D122-R498 PolarHBondContact OD1-NH2 3.35Å; D122-R498 IonicContact OD2-NH2 3.11Å; D122-R498 PolarHBondContact OD2-NH2 2.87Å
123D94.9Very high95.8Very high5 Ų552.9 Ų52.93%0.02725%0.254CS..  trans-68.9110.9179.3-75.215.9000109.8R113 V128 K129 R132R113-D123 IonicContact CZ-OD1 3.42Å; R113-D123 IonicContact CZ-OD2 3.21Å; R113-D123 IonicContact NH1-OD1 3.21Å; R113-D123 PolarHBondContact NH1-OD1 2.79Å; R113-D123 IonicContact NH1-OD2 2.83Å; R113-D123 PolarHBondContact NH1-OD2 3.19Å; R113-D123 IonicContact NH2-OD1 3.89Å; R113-D123 PolarHBondContact NH2-OD1 2.95Å; R113-D123 IonicContact NH2-OD2 2.72Å; D123-V128 HydrophobicContact CB-CG2 3.85Å; D123-K129 HydrophobicContact CB-CG 3.76Å; D123-K129 WeakPolarHBondContact O-CE 3.22Å; D123-K129 PolarHBondContact O-NZ 2.89Å; D123-R132 IonicContact OD1-CZ 3.63Å; D123-R132 IonicContact OD1-NE 2.72Å; D123-R132 IonicContact OD1-NH2 2.7Å; D123-R132 PolarHBondContact OD1-NH2 3.26Å; D123-R132 WeakPolarHBondContact OD2-CD 3.21Å; D123-R132 IonicContact OD2-CZ 2.68Å; D123-R132 IonicContact OD2-NE 2.77Å; D123-R132 PolarHBondContact OD2-NE 3.25Å; D123-R132 IonicContact OD2-NH2 2.71Å
124K90.1Very high95.8Very high190 Ų19057 Ų5783%0.82627%0.273SS*.  trans-95.1-37.9-176.5-65.8-178.8-175.7176.70113.7D122D122-K124 PolarHBondContact O-N 3.01Å; D122-K124 VanDerWaalsContact O-N 3.16Å
125T91.3Very high96.1Very high55 Ų5557.5 Ų57.534%0.33728%0.275SS..SBendtrans-92.4152.1-174.168.40000111.6I127 V128 K129T125-I127 PolarHBondContact O-N 3.44Å; T125-V128 WeakPolarHBondContact O-CG2 3.42Å; T125-V128 WeakPolarHBondContact OG1-CG2 3.19Å; T125-K129 WeakPolarHBondContact O-CG 3.44Å; T125-K129 PolarHBondContact O-N 3.21Å
126S92.8Very high96.3Very high78 Ų7857.7 Ų57.755%0.54528%0.276SS..Hα-helixtrans-61.3-34176.251.70000112.3K129 Q130S126-K129 PolarHBondContact O-N 2.72Å; S126-Q130 WeakPolarHBondContact O-CB 3.39Å; S126-Q130 WeakPolarHBondContact O-CG 3.4Å; S126-Q130 PolarHBondContact O-N 2.81Å
127I93.9Very high96.3Very high58 Ų5855.2 Ų55.230%0.29727%0.272SS..Hα-helixtrans-60.5-51.3-178.2-63.8170.7000111.2V27 L67 T125 Q130 H131V27-I127 HydrophobicContact CG1-CG2 4.24Å; L67-I127 HydrophobicContact CD1-CG2 3.61Å; T125-I127 PolarHBondContact O-N 3.44Å; I127-Q130 PolarHBondContact O-N 3.29Å; I127-H131 PolarHBondContact O-N 3.16Å
128V95.2Very high96.3Very high8 Ų860 Ų605%0.04829%0.293CS..Hα-helixtrans-72.5-34.7-178.1-60.40000112.2V66 D123 T125 H131 R132V66-V128 HydrophobicContact CB-CG1 4.23Å; V66-V128 HydrophobicContact CG2-CG1 4.39Å; D123-V128 HydrophobicContact CB-CG2 3.85Å; T125-V128 WeakPolarHBondContact O-CG2 3.42Å; T125-V128 WeakPolarHBondContact OG1-CG2 3.19Å; V128-H131 PolarHBondContact O-N 3.27Å; V128-R132 WeakPolarHBondContact O-CB 3.27Å; V128-R132 PolarHBondContact O-N 3.31Å
129K96.1Very high96.3Very high111 Ų11158.5 Ų58.548%0.48329%0.286SS..Hα-helixtrans-62-45.8173.3-70.5-176-176.9-172.30111.8D123 T125 S126 R132 Q133D123-K129 HydrophobicContact CB-CG 3.76Å; D123-K129 WeakPolarHBondContact O-CE 3.22Å; D123-K129 PolarHBondContact O-NZ 2.89Å; T125-K129 WeakPolarHBondContact O-CG 3.44Å; T125-K129 PolarHBondContact O-N 3.21Å; S126-K129 PolarHBondContact O-N 2.72Å; K129-R132 PolarHBondContact O-N 3.39Å; K129-Q133 PolarHBondContact O-N 2.83Å
130Q96.5Very high96.3Very high136 Ų13662.1 Ų62.164%0.63630%0.3SS*.Hα-helixtrans-64.5-41.1177.5-75.1174.4800111.7S126 I127 K134S126-Q130 WeakPolarHBondContact O-CB 3.39Å; S126-Q130 WeakPolarHBondContact O-CG 3.4Å; S126-Q130 PolarHBondContact O-N 2.81Å; I127-Q130 PolarHBondContact O-N 3.29Å; Q130-K134 VanDerWaalsContact O-CB 3.25Å; Q130-K134 WeakPolarHBondContact O-CB 3.35Å; Q130-K134 PolarHBondContact O-N 3.08Å
131H97.1Very high96.3Very high26 Ų2668.7 Ų68.712%0.1233%0.326CS..Hα-helixtrans-60.2-50.7174.7169.364.8000111.7L67 V111 I127 V128 Q133 K134 E135L67-H131 HydrophobicContact CD1-CB 4.02Å; L67-H131 HydrophobicContact CD2-CB 4.27Å; V111-H131 PolarHBondContact O-CE1 2.78Å; V111-H131 VanDerWaalsContact O-CE1 3.29Å; I127-H131 PolarHBondContact O-N 3.16Å; V128-H131 PolarHBondContact O-N 3.27Å; H131-Q133 PolarHBondContact O-N 3.11Å; H131-K134 PolarHBondContact O-N 3.46Å; H131-E135 WeakPolarHBondContact O-CB 3.33Å; H131-E135 PolarHBondContact O-N 2.83Å
132R98.4Very high96.3Very high12 Ų1267.5 Ų67.55%0.04533%0.33CS..Hα-helixtrans-55.4-49.5178.2-179-176.4-82-100.16.9111.9F118 L119 D123 V128 K129 E135 L136 P387 E504F118-R132 PolarHBondContact O-NH2 3.34Å; L119-R132 PolarHBondContact O-NH2 2.91Å; D123-R132 IonicContact OD1-CZ 3.63Å; D123-R132 IonicContact OD1-NE 2.72Å; D123-R132 IonicContact OD1-NH2 2.7Å; D123-R132 PolarHBondContact OD1-NH2 3.26Å; D123-R132 WeakPolarHBondContact OD2-CD 3.21Å; D123-R132 IonicContact OD2-CZ 2.68Å; D123-R132 IonicContact OD2-NE 2.77Å; D123-R132 PolarHBondContact OD2-NE 3.25Å; D123-R132 IonicContact OD2-NH2 2.71Å; V128-R132 WeakPolarHBondContact O-CB 3.27Å; V128-R132 PolarHBondContact O-N 3.31Å; K129-R132 PolarHBondContact O-N 3.39Å; R132-E135 PolarHBondContact O-N 2.71Å; R132-L136 PolarHBondContact O-N 2.98Å; R132-L136 VanDerWaalsContact O-N 3.08Å; R132-P387 HydrophobicContact CG-CB 4.26Å; R132-P387 HydrophobicContact CG-CG 3.95Å; R132-E504 WeakPolarHBondContact CD-OE1 3.34Å; R132-E504 WeakPolarHBondContact CG-OE1 3.33Å; R132-E504 IonicContact CZ-OE1 2.65Å; R132-E504 IonicContact CZ-OE2 3.6Å; R132-E504 IonicContact NE-OE1 3.94Å; R132-E504 IonicContact NH1-OE1 3.05Å; R132-E504 PolarHBondContact NH1-OE1 3.49Å; R132-E504 IonicContact NH1-OE2 2.77Å; R132-E504 PolarHBondContact NH1-OE2 2.91Å
133Q98.2Very high96.4Very high90 Ų9065.4 Ų65.442%0.42132%0.318SS..Hα-helixtrans-62.3-46.2177.6-176.462.850.200112K129 H131 E135 L136 D137K129-Q133 PolarHBondContact O-N 2.83Å; H131-Q133 PolarHBondContact O-N 3.11Å; Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 PolarHBondContact O-N 2.91Å; Q133-L136 PolarHBondContact O-N 2.82Å; Q133-D137 PolarHBondContact NE2-OD1 2.7Å; Q133-D137 PolarHBondContact NE2-OD2 3.39Å; Q133-D137 VanDerWaalsContact O-CG 3.27Å; Q133-D137 PolarHBondContact O-N 2.8Å
134K97.9Very high96.6Very high109 Ų10971.9 Ų71.947%0.47434%0.342SS..Hα-helixtrans-62.4-39.5179.2-174.5-177.9177.7-170.70111.6Q130 H131 D137 Q138Q130-K134 VanDerWaalsContact O-CB 3.25Å; Q130-K134 WeakPolarHBondContact O-CB 3.35Å; Q130-K134 PolarHBondContact O-N 3.08Å; H131-K134 PolarHBondContact O-N 3.46Å; K134-D137 PolarHBondContact O-N 2.82Å; K134-Q138 WeakPolarHBondContact O-CB 3.42Å; K134-Q138 VanDerWaalsContact O-CG 3.26Å; K134-Q138 WeakPolarHBondContact O-CG 3.38Å; K134-Q138 PolarHBondContact O-N 2.78Å
135E98.3Very high97Very high16 Ų1664.3 Ų64.38%0.07531%0.308CS..Hα-helixtrans-59.6-52.2174.6-175.4-176.7-175.200110.3H131 R132 Q133 D137 Q138 R139 P387 A388H131-E135 WeakPolarHBondContact O-CB 3.33Å; H131-E135 PolarHBondContact O-N 2.83Å; R132-E135 PolarHBondContact O-N 2.71Å; Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 PolarHBondContact O-N 2.91Å; E135-D137 VanDerWaalsContact C-N 3.34Å; E135-D137 PolarHBondContact O-N 2.95Å; E135-Q138 PolarHBondContact O-N 2.86Å; E135-R139 HydrophobicContact CG-CG 4.34Å; E135-R139 WeakPolarHBondContact O-CG 3.42Å; E135-R139 PolarHBondContact O-N 3.22Å; E135-R139 IonicContact OE1-CZ 3.73Å; E135-R139 IonicContact OE1-NE 3.71Å; E135-R139 PolarHBondContact OE1-NE 2.92Å; E135-R139 IonicContact OE1-NH2 2.78Å; E135-R139 PolarHBondContact OE1-NH2 2.91Å; E135-P387 VanDerWaalsContact OE2-CB 3.23Å; E135-P387 WeakPolarHBondContact OE2-CB 3.45Å; E135-A388 WeakPolarHBondContact OE1-CB 3.48Å; E135-A388 PolarHBondContact OE1-N 3.4Å; E135-A388 VanDerWaalsContact OE1-N 3.09Å; E135-A388 PolarHBondContact OE2-N 3.47Å
136L98.6Very high97.3Very high4 Ų464.7 Ų64.72%0.02131%0.305CS..Hα-helixtrans-60.6-41.9179.4-70.9178.5000112.5R132 Q133 Q138 R139 R140 Q385 P387 E504R132-L136 PolarHBondContact O-N 2.98Å; R132-L136 VanDerWaalsContact O-N 3.08Å; Q133-L136 PolarHBondContact O-N 2.82Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 2.96Å; L136-R139 PolarHBondContact O-N 2.97Å; L136-R140 WeakPolarHBondContact O-CB 3.49Å; L136-R140 VanDerWaalsContact O-CG 3.27Å; L136-R140 WeakPolarHBondContact O-CG 3.3Å; L136-R140 PolarHBondContact O-N 3.44Å; L136-Q385 VanDerWaalsContact CD2-C 3.49Å; L136-Q385 WeakPolarHBondContact CD2-O 3.09Å; L136-P387 HydrophobicContact CD2-CB 4.34Å; L136-P387 HydrophobicContact CG-CB 4.45Å; L136-E504 HydrophobicContact CD1-CG 4.2Å
137D98.4Very high97.5Very high66 Ų6665.4 Ų65.435%0.35330%0.3SS..Hα-helixtrans-63.4-37.4177-69.5-18.2000112.3Q133 K134 E135 R140 K141Q133-D137 PolarHBondContact NE2-OD1 2.7Å; Q133-D137 PolarHBondContact NE2-OD2 3.39Å; Q133-D137 VanDerWaalsContact O-CG 3.27Å; Q133-D137 PolarHBondContact O-N 2.8Å; K134-D137 PolarHBondContact O-N 2.82Å; E135-D137 VanDerWaalsContact C-N 3.34Å; E135-D137 PolarHBondContact O-N 2.95Å; D137-R140 IonicContact OD1-NH1 2.71Å; D137-K141 WeakPolarHBondContact O-CG 3.42Å; D137-K141 PolarHBondContact O-N 3.39Å
138Q97.5Very high97.7Very high108 Ų10865.5 Ų65.551%0.50530%0.297SS..Hα-helixtrans-69.2-44174.1-73.7174.3-14.600111.4K134 E135 L136 K141 A142K134-Q138 WeakPolarHBondContact O-CB 3.42Å; K134-Q138 VanDerWaalsContact O-CG 3.26Å; K134-Q138 WeakPolarHBondContact O-CG 3.38Å; K134-Q138 PolarHBondContact O-N 2.78Å; E135-Q138 PolarHBondContact O-N 2.86Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 2.96Å; Q138-K141 WeakPolarHBondContact O-CB 3.4Å; Q138-K141 PolarHBondContact O-N 3.03Å; Q138-K141 VanDerWaalsContact O-N 3.16Å; Q138-A142 PolarHBondContact O-N 3.43Å
139R98.3Very high97.7Very high10 Ų1068.1 Ų68.14%0.03831%0.308CS..Hα-helixtrans-64.5-41.8179.2-69.8-162.6-173.7-167.4-4.4112.3E135 L136 K141 A142 Y143 F383 L386E135-R139 HydrophobicContact CG-CG 4.34Å; E135-R139 WeakPolarHBondContact O-CG 3.42Å; E135-R139 PolarHBondContact O-N 3.22Å; E135-R139 IonicContact OE1-CZ 3.73Å; E135-R139 IonicContact OE1-NE 3.71Å; E135-R139 PolarHBondContact OE1-NE 2.92Å; E135-R139 IonicContact OE1-NH2 2.78Å; E135-R139 PolarHBondContact OE1-NH2 2.91Å; L136-R139 PolarHBondContact O-N 2.97Å; R139-K141 PolarHBondContact O-N 3.4Å; R139-A142 PolarHBondContact O-N 3.28Å; R139-A142 VanDerWaalsContact O-N 3.09Å; R139-Y143 HydrophobicContact CB-CD2 4.03Å; R139-Y143 HydrophobicContact CB-CE2 4.33Å; R139-Y143 HydrophobicContact CG-CD2 4.42Å; R139-Y143 HydrophobicContact CG-CE2 4.22Å; R139-Y143 VanDerWaalsContact O-CD2 3.29Å; R139-Y143 WeakPolarHBondContact O-CD2 3.29Å; R139-Y143 PolarHBondContact O-N 2.96Å; R139-F383 VanDerWaalsContact CB-O 3.28Å; R139-F383 WeakPolarHBondContact CB-O 3.33Å; R139-F383 WeakPolarHBondContact CD-O 3.41Å; R139-L386 PolarHBondContact NH1-O 3.11Å
140R98.6Very high97.7Very high77 Ų7766.5 Ų66.529%0.29131%0.309SS..Hα-helixtrans-61.3-25.7175.1-70.2168.8-175.7148.5-2.2113.3L136 D137 R384 Q385L136-R140 WeakPolarHBondContact O-CB 3.49Å; L136-R140 VanDerWaalsContact O-CG 3.27Å; L136-R140 WeakPolarHBondContact O-CG 3.3Å; L136-R140 PolarHBondContact O-N 3.44Å; D137-R140 IonicContact OD1-NH1 2.71Å; R140-R384 HydrophobicContact CG-CB 4.47Å; R140-R384 WeakPolarHBondContact CG-O 3.17Å; R140-R384 PolarHBondContact O-NH1 3.45Å; R140-Q385 VanDerWaalsContact NE-OE1 3.14Å
141K97.8Very high97.5Very high157 Ų15761.3 Ų61.368%0.68329%0.292SS*.Hα-helixtrans-80.3-38.3172.9-69170-175.1175.80112.5D137 Q138 R139 R144D137-K141 WeakPolarHBondContact O-CG 3.42Å; D137-K141 PolarHBondContact O-N 3.39Å; Q138-K141 WeakPolarHBondContact O-CB 3.4Å; Q138-K141 PolarHBondContact O-N 3.03Å; Q138-K141 VanDerWaalsContact O-N 3.16Å; R139-K141 PolarHBondContact O-N 3.4Å; K141-R144 WeakPolarHBondContact O-CG 3.36Å
142A96.9Very high97.4Very high52 Ų5260.3 Ų60.343%0.4329%0.287SS..Hα-helixtrans-78.6-38-177.400000113.1Q138 R139Q138-A142 PolarHBondContact O-N 3.43Å; R139-A142 PolarHBondContact O-N 3.28Å; R139-A142 VanDerWaalsContact O-N 3.09Å
143Y98.5Very high97.4Very high6 Ų660 Ų602%0.02429%0.287CS..SBendtrans-111.694-177.1-53.7-79.4000108.6R139 I156 P165 I168 F383 R384R139-Y143 HydrophobicContact CB-CD2 4.03Å; R139-Y143 HydrophobicContact CB-CE2 4.33Å; R139-Y143 HydrophobicContact CG-CD2 4.42Å; R139-Y143 HydrophobicContact CG-CE2 4.22Å; R139-Y143 VanDerWaalsContact O-CD2 3.29Å; R139-Y143 WeakPolarHBondContact O-CD2 3.29Å; R139-Y143 PolarHBondContact O-N 2.96Å; Y143-I156 HydrophobicContact CD1-CD1 4.3Å; Y143-P165 HydrophobicContact CD1-CG 4.26Å; Y143-P165 HydrophobicContact CE1-CB 4.11Å; Y143-P165 HydrophobicContact CE1-CG 3.82Å; Y143-I168 HydrophobicContact CD1-CD1 4.03Å; Y143-I168 HydrophobicContact CE1-CD1 3.75Å; Y143-I168 HydrophobicContact CE1-CG1 4.01Å; Y143-I168 HydrophobicContact CE1-CG2 3.92Å; Y143-F383 HydrophobicContact CD1-CB 4.16Å; Y143-F383 HydrophobicContact CD1-CG 4.34Å; Y143-F383 HydrophobicContact CD2-CB 3.82Å; Y143-F383 HydrophobicContact CD2-CG 4.47Å; Y143-F383 HydrophobicContact CE1-CB 4.46Å; Y143-F383 HydrophobicContact CE1-CD1 4.4Å; Y143-F383 HydrophobicContact CE1-CG 4.24Å; Y143-F383 HydrophobicContact CE2-CB 4.16Å; Y143-F383 HydrophobicContact CE2-CD1 4.2Å; Y143-F383 HydrophobicContact CE2-CG 4.38Å; Y143-F383 HydrophobicContact CG-CB 3.83Å; Y143-F383 HydrophobicContact CG-CG 4.46Å; Y143-R384 WeakPolarHBondContact O-CD 3.48Å; Y143-R384 WeakPolarHBondContact O-CG 3.48Å; Y143-R384 PolarHBondContact O-NH1 3.39Å
144R98.6Very high97.4Very high140 Ų14056.9 Ų56.953%0.52827%0.273SS..  trans-108.9151.7-178.8-56.6-174.8-58.7-155-2.8110.6K141 D157K141-R144 WeakPolarHBondContact O-CG 3.36Å; R144-D157 HydrophobicContact CB-CB 3.77Å; R144-D157 IonicContact CZ-OD2 3.9Å; R144-D157 IonicContact NE-OD2 3.77Å; R144-D157 PolarHBondContact NE-OD2 3.24Å; R144-D157 IonicContact NH2-OD2 3.51Å; R144-D157 PolarHBondContact NH2-OD2 3.14Å; R144-D157 WeakPolarHBondContact O-CB 3.2Å; R144-D157 PolarHBondContact O-N 3.44Å
145W98.6Very high97.4Very high32 Ų3251.9 Ų51.912%0.12125%0.252CS..EExtended strand (participates in β ladder)trans-79.2143.7172.8-63.9113.6000110.8L154 S155 V377 I380 A381 R384 D511 F515W145-L154 HydrophobicContact CB-CB 4.26Å; W145-L154 HydrophobicContact CB-CD1 3.93Å; W145-L154 HydrophobicContact CD2-CB 4.23Å; W145-L154 HydrophobicContact CE3-CB 3.61Å; W145-L154 HydrophobicContact CG-CD1 4.37Å; W145-L154 HydrophobicContact CZ3-CB 4.22Å; W145-L154 WeakPolarHBondContact CZ3-O 3.38Å; W145-S155 CarbonylContact C-O 3.6Å; W145-S155 WeakPolarHBondContact CA-O 3.31Å; W145-V377 HydrophobicContact CH2-CB 4.36Å; W145-V377 HydrophobicContact CH2-CG1 4.12Å; W145-V377 VanDerWaalsContact CH2-O 3.32Å; W145-V377 WeakPolarHBondContact CH2-O 3.3Å; W145-V377 HydrophobicContact CZ3-CG2 4.31Å; W145-I380 HydrophobicContact CD2-CG2 3.7Å; W145-I380 HydrophobicContact CE3-CB 4.19Å; W145-I380 HydrophobicContact CE3-CD1 3.88Å; W145-I380 HydrophobicContact CE3-CG2 3.7Å; W145-I380 HydrophobicContact CH2-CB 3.62Å; W145-I380 HydrophobicContact CH2-CD1 4.37Å; W145-I380 HydrophobicContact CH2-CG2 3.71Å; W145-I380 HydrophobicContact CZ2-CB 4.02Å; W145-I380 HydrophobicContact CZ2-CG2 3.67Å; W145-I380 HydrophobicContact CZ3-CB 3.7Å; W145-I380 HydrophobicContact CZ3-CD1 3.59Å; W145-I380 HydrophobicContact CZ3-CG1 4.26Å; W145-I380 HydrophobicContact CZ3-CG2 3.72Å; W145-A381 HydrophobicContact CZ2-CB 4.13Å; W145-R384 VanDerWaalsContact NE1-NE 3.14Å; W145-D511 PolarHBondContact NE1-OD1 3.41Å; W145-F515 VanDerWaalsContact CD1-CB 3.48Å; W145-F515 AromaticContact CD1-CD1 3.92Å; W145-F515 AromaticContact CD1-CG 3.68Å; W145-F515 HydrophobicContact CD2-CB 4.02Å; W145-F515 HydrophobicContact CG-CB 3.88Å; W145-F515 HydrophobicContact CG-CG 4.42Å; W145-F515 HydrophobicContact CZ2-CB 4.37Å; W145-F515 AromaticContact NE1-CG 3.79Å
146K97.3Very high97.4Very high63 Ų6351.3 Ų51.327%0.27425%0.249SC..EExtended strand (participates in β ladder)trans-143.2137.6171.8174.7174.5178.61720110.6W148 S155 D157 N159K146-W148 PolarHBondContact O-N 3.48Å; K146-S155 PolarHBondContact N-O 2.91Å; K146-S155 PolarHBondContact O-N 3.16Å; K146-S155 PolarHBondContact O-OG 2.73Å; K146-D157 HydrophobicContact CB-CB 3.83Å; K146-D157 WeakPolarHBondContact CD-OD1 3.49Å; K146-N159 PolarHBondContact NZ-OD1 3.37Å
147E96.9Very high97.4Very high92 Ų9253.8 Ų53.843%0.4326%0.263SS..  trans-77.3115.4167.8-169.5173.9-140.500108.6Q149 P150 G151 L154E147-Q149 WeakPolarHBondContact CG-O 3.43Å; E147-P150 WeakPolarHBondContact OE1-CA 3.37Å; E147-G151 PolarHBondContact OE1-N 2.55Å; E147-L154 HydrophobicContact CB-CD2 3.65Å; E147-L154 HydrophobicContact CG-CD2 4.37Å; E147-L154 VanDerWaalsContact N-CD2 3.33Å
148W97.4Very high97.4Very high61 Ų6151.1 Ų51.123%0.23125%0.25CC..SBendtrans-80.4-44.8175174.163.1000111.2K146 F152 R411 I415K146-W148 PolarHBondContact O-N 3.48Å; W148-F152 AromaticContact CE3-CD1 3.85Å; W148-F152 HydrophobicContact CE3-CD1 3.85Å; W148-F152 AromaticContact CE3-CE1 3.84Å; W148-F152 HydrophobicContact CE3-CE1 3.84Å; W148-F152 HydrophobicContact CE3-CZ 4.46Å; W148-F152 HydrophobicContact CZ3-CD1 4.01Å; W148-F152 AromaticContact CZ3-CE1 3.48Å; W148-F152 HydrophobicContact CZ3-CE1 3.48Å; W148-F152 VanDerWaalsContact CZ3-CE1 3.48Å; W148-F152 AromaticContact CZ3-CZ 3.87Å; W148-F152 HydrophobicContact CZ3-CZ 3.87Å; W148-R411 HydrophobicContact CD2-CG 3.81Å; W148-R411 HydrophobicContact CE3-CG 4.31Å; W148-R411 VanDerWaalsContact CG-CD 3.41Å; W148-R411 HydrophobicContact CG-CG 4.08Å; W148-R411 HydrophobicContact CZ2-CG 4.23Å; W148-I415 HydrophobicContact CH2-CB 4.27Å; W148-I415 HydrophobicContact CH2-CD1 3.54Å; W148-I415 HydrophobicContact CH2-CG1 3.66Å; W148-I415 WeakPolarHBondContact CH2-O 3.21Å; W148-I415 HydrophobicContact CZ2-CD1 4.24Å; W148-I415 HydrophobicContact CZ2-CG1 4.04Å; W148-I415 HydrophobicContact CZ3-CD1 3.75Å; W148-I415 HydrophobicContact CZ3-CG1 4.38Å
149Q96.4Very high97.3Very high62 Ų6251 Ų5129%0.2925%0.252SS..SBendtrans-140147175.5-71.3-65.7-10.700109.7E147 G151 F152 I433E147-Q149 WeakPolarHBondContact CG-O 3.43Å; Q149-G151 PolarHBondContact O-N 2.83Å; Q149-F152 HydrophobicContact CB-CD2 3.83Å; Q149-F152 HydrophobicContact CB-CE2 4.13Å; Q149-F152 HydrophobicContact CB-CG 4.18Å; Q149-F152 WeakPolarHBondContact O-CB 3.19Å; Q149-F152 PolarHBondContact O-N 3.09Å; Q149-I433 HydrophobicContact CB-CG2 4.29Å; Q149-I433 HydrophobicContact CG-CD1 4.22Å; Q149-I433 HydrophobicContact CG-CG2 4.36Å
150P95Very high97.2Very high77 Ų7756 Ų5650%0.527%0.271SS..THydrogen-bonded Turntrans-52.4132.7177.2-28.636.4000112.6E147 F152 Q437E147-P150 WeakPolarHBondContact OE1-CA 3.37Å; P150-F152 PolarHBondContact O-N 3.41Å; P150-Q437 VanDerWaalsContact O-CG 3.25Å; P150-Q437 WeakPolarHBondContact O-CG 3.42Å; P150-Q437 PolarHBondContact O-NE2 2.95Å
151G91.9Very high97.1Very high27 Ų2752.3 Ų52.328%0.27826%0.257SS..THydrogen-bonded Turntrans73.56.7174.800000115.8E147 Q149E147-G151 PolarHBondContact OE1-N 2.55Å; Q149-G151 PolarHBondContact O-N 2.83Å
152F96.8Very high96.9Very high5 Ų552.2 Ų52.22%0.02225%0.253CS..SBendtrans-81.2157.7165.3-87.2-127.4000110.5W148 Q149 P150 L373 I433 V436 Q437 Q518W148-F152 AromaticContact CE3-CD1 3.85Å; W148-F152 HydrophobicContact CE3-CD1 3.85Å; W148-F152 AromaticContact CE3-CE1 3.84Å; W148-F152 HydrophobicContact CE3-CE1 3.84Å; W148-F152 HydrophobicContact CE3-CZ 4.46Å; W148-F152 HydrophobicContact CZ3-CD1 4.01Å; W148-F152 AromaticContact CZ3-CE1 3.48Å; W148-F152 HydrophobicContact CZ3-CE1 3.48Å; W148-F152 VanDerWaalsContact CZ3-CE1 3.48Å; W148-F152 AromaticContact CZ3-CZ 3.87Å; W148-F152 HydrophobicContact CZ3-CZ 3.87Å; Q149-F152 HydrophobicContact CB-CD2 3.83Å; Q149-F152 HydrophobicContact CB-CE2 4.13Å; Q149-F152 HydrophobicContact CB-CG 4.18Å; Q149-F152 WeakPolarHBondContact O-CB 3.19Å; Q149-F152 PolarHBondContact O-N 3.09Å; P150-F152 PolarHBondContact O-N 3.41Å; F152-L373 HydrophobicContact CD1-CD1 3.69Å; F152-L373 HydrophobicContact CE1-CD1 3.95Å; F152-I433 HydrophobicContact CE2-CB 4.34Å; F152-I433 HydrophobicContact CE2-CG2 3.8Å; F152-I433 HydrophobicContact CZ-CG2 4.42Å; F152-V436 HydrophobicContact CD1-CG1 3.82Å; F152-V436 HydrophobicContact CD2-CB 4.42Å; F152-V436 HydrophobicContact CD2-CG1 3.89Å; F152-V436 HydrophobicContact CE1-CB 3.98Å; F152-V436 HydrophobicContact CE1-CG1 3.48Å; F152-V436 VanDerWaalsContact CE1-CG1 3.48Å; F152-V436 HydrophobicContact CE1-CG2 4.29Å; F152-V436 HydrophobicContact CE2-CB 3.63Å; F152-V436 HydrophobicContact CE2-CG1 3.55Å; F152-V436 HydrophobicContact CG-CG1 4.02Å; F152-V436 HydrophobicContact CZ-CB 3.38Å; F152-V436 HydrophobicContact CZ-CG1 3.35Å; F152-V436 HydrophobicContact CZ-CG2 3.9Å; F152-Q437 HydrophobicContact CD2-CG 4.23Å; F152-Q437 HydrophobicContact CE2-CG 4.23Å; F152-Q518 PolarHBondContact O-NE2 3.45Å
153P97.1Very high96.8Very high7 Ų753.4 Ų53.45%0.04525%0.252CS..PPolyproline II helixtrans-54.2141.8161-22.333.4000111L369 V377 T440 G516 M517P153-L369 HydrophobicContact CG-CD1 3.74Å; P153-V377 HydrophobicContact CB-CG2 3.78Å; P153-T440 HydrophobicContact CG-CG2 4.42Å; P153-G516 CarbonylContact C-O 3.45Å; P153-G516 WeakPolarHBondContact CA-O 3.32Å; P153-G516 WeakPolarHBondContact CB-O 3.22Å; P153-M517 HydrophobicContact CB-SD 4.36Å; P153-M517 HydrophobicContact CG-SD 4.39Å
154L98.3Very high96.8Very high23 Ų2353.4 Ų53.412%0.1225%0.252CS..PPolyproline II helixtrans-62.3145.8177.1-71.2177.8000110.2W145 E147 F515 G516 Q518W145-L154 HydrophobicContact CB-CB 4.26Å; W145-L154 HydrophobicContact CB-CD1 3.93Å; W145-L154 HydrophobicContact CD2-CB 4.23Å; W145-L154 HydrophobicContact CE3-CB 3.61Å; W145-L154 HydrophobicContact CG-CD1 4.37Å; W145-L154 HydrophobicContact CZ3-CB 4.22Å; W145-L154 WeakPolarHBondContact CZ3-O 3.38Å; E147-L154 HydrophobicContact CB-CD2 3.65Å; E147-L154 HydrophobicContact CG-CD2 4.37Å; E147-L154 VanDerWaalsContact N-CD2 3.33Å; L154-F515 HydrophobicContact CD1-CB 3.92Å; L154-F515 HydrophobicContact CD1-CD1 4.44Å; L154-F515 WeakPolarHBondContact CD1-O 3.44Å; L154-F515 VanDerWaalsContact CG-O 3.24Å; L154-F515 WeakPolarHBondContact CG-O 3.15Å; L154-G516 PolarHBondContact N-O 2.71Å; L154-Q518 HydrophobicContact CD1-CG 4.42Å; L154-Q518 HydrophobicContact CG-CG 4.15Å
155S98.4Very high96.7Very high5 Ų548.5 Ų48.54%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-123.7-177.6-177.464.30000111W145 K146 I380W145-S155 CarbonylContact C-O 3.6Å; W145-S155 WeakPolarHBondContact CA-O 3.31Å; K146-S155 PolarHBondContact N-O 2.91Å; K146-S155 PolarHBondContact O-N 3.16Å; K146-S155 PolarHBondContact O-OG 2.73Å; S155-I380 VanDerWaalsContact C-CD1 3.42Å
156I98.7Very high96.4Very high3 Ų349 Ų492%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-66.5142.1177.7-168.866.1000111Y143 A158 L164 E376 I380 I404 T408Y143-I156 HydrophobicContact CD1-CD1 4.3Å; I156-A158 HydrophobicContact CG1-CB 4.48Å; I156-A158 HydrophobicContact CG2-CB 4.19Å; I156-A158 PolarHBondContact O-N 2.85Å; I156-L164 HydrophobicContact CG1-CD2 3.92Å; I156-L164 HydrophobicContact CG2-CD2 3.85Å; I156-E376 PolarHBondContact N-OE1 2.87Å; I156-I380 HydrophobicContact CB-CD1 3.95Å; I156-I380 HydrophobicContact CB-CG1 4.42Å; I156-I380 HydrophobicContact CD1-CG1 4.31Å; I156-I404 HydrophobicContact CB-CG2 3.68Å; I156-I404 HydrophobicContact CG1-CG2 3.97Å; I156-I404 HydrophobicContact CG2-CG2 3.53Å; I156-T408 WeakPolarHBondContact CG2-OG1 3.32Å
157D98.5Very high96.2Very high57 Ų5748 Ų4831%0.30524%0.238SC..SBendtrans-75.167.1172.2-175.526.7000112.1R144 K146R144-D157 HydrophobicContact CB-CB 3.77Å; R144-D157 IonicContact CZ-OD2 3.9Å; R144-D157 IonicContact NE-OD2 3.77Å; R144-D157 PolarHBondContact NE-OD2 3.24Å; R144-D157 IonicContact NH2-OD2 3.51Å; R144-D157 PolarHBondContact NH2-OD2 3.14Å; R144-D157 WeakPolarHBondContact O-CB 3.2Å; R144-D157 PolarHBondContact O-N 3.44Å; K146-D157 HydrophobicContact CB-CB 3.83Å; K146-D157 WeakPolarHBondContact CD-OD1 3.49Å
158A98Very high96.2Very high10 Ų1044.1 Ų44.18%0.08322%0.22CC..  trans-144.9136.6173.200000109.7I156 D163 L164I156-A158 HydrophobicContact CG1-CB 4.48Å; I156-A158 HydrophobicContact CG2-CB 4.19Å; I156-A158 PolarHBondContact O-N 2.85Å; A158-D163 HydrophobicContact CB-CB 4.2Å; A158-L164 HydrophobicContact CB-CD2 3.5Å; A158-L164 HydrophobicContact CB-CG 4.17Å
159N96.1Very high96.1Very high104 Ų10442.6 Ų42.656%0.55622%0.216SC*.SBendtrans-90.1-30.2179.2-66.8-41.2000112.3K146K146-N159 PolarHBondContact NZ-OD1 3.37Å
160R95.6Very high95.9Very high115 Ų11539.8 Ų39.843%0.43420%0.202SC..SBendtrans-132.8155.8-178-56.9-177.8-171.8-172.1-0.1109.8R162 D163 T408 E412R160-R162 VanDerWaalsContact C-N 3.27Å; R160-R162 HydrophobicContact CB-CG 4.14Å; R160-R162 VanDerWaalsContact NH1-NH2 3.13Å; R160-R162 PolarHBondContact O-N 2.87Å; R160-D163 PolarHBondContact N-OD2 2.91Å; R160-D163 VanDerWaalsContact N-OD2 3.11Å; R160-D163 WeakPolarHBondContact O-CB 3.46Å; R160-D163 PolarHBondContact O-N 2.77Å; R160-T408 VanDerWaalsContact C-CG2 3.49Å; R160-E412 WeakPolarHBondContact CA-OE2 3.41Å; R160-E412 HydrophobicContact CG-CG 4.47Å
161H95.5Very high95.4Very high0 Ų038 Ų380%019%0.189CC..G310 helixtrans-54.7-42.7178.9177.1-90.6000113.2D163 L164 F170 K409 E412H161-D163 PolarHBondContact O-N 3.11Å; H161-D163 VanDerWaalsContact O-N 3.17Å; H161-L164 VanDerWaalsContact O-CB 3.22Å; H161-L164 WeakPolarHBondContact O-CB 3.48Å; H161-L164 VanDerWaalsContact O-CG 3.26Å; H161-L164 WeakPolarHBondContact O-CG 3.33Å; H161-L164 PolarHBondContact O-N 2.91Å; H161-L164 VanDerWaalsContact O-N 3.08Å; H161-F170 AromaticContact CD2-CD2 3.8Å; H161-F170 AromaticContact NE2-CD2 3.28Å; H161-F170 VanDerWaalsContact NE2-CD2 3.28Å; H161-F170 WeakPolarHBondContact NE2-CD2 3.42Å; H161-F170 AromaticContact NE2-CG 3.9Å; H161-F170 PolarHBondContact NE2-N 3.44Å; H161-F170 VanDerWaalsContact NE2-N 3.18Å; H161-K409 HydrophobicContact CB-CD 3.78Å; H161-K409 VanDerWaalsContact CB-CE 3.42Å; H161-K409 HydrophobicContact CB-CG 4Å; H161-E412 PolarHBondContact N-OE2 3.29Å
162R93.8Very high94.6Very high155 Ų15539.2 Ų39.259%0.58519%0.193SC*.G310 helixtrans-63.4-18.8177.972.2-176-172.2178.64.1114.8R160 L164R160-R162 VanDerWaalsContact C-N 3.27Å; R160-R162 HydrophobicContact CB-CG 4.14Å; R160-R162 VanDerWaalsContact NH1-NH2 3.13Å; R160-R162 PolarHBondContact O-N 2.87Å; R162-L164 VanDerWaalsContact C-N 3.28Å
163D96.2Very high92.9Very high78 Ų7843 Ų4342%0.41721%0.211SC..G310 helixtrans-82.4-12.1179.3-52.8-25.5000111.1A158 R160 H161A158-D163 HydrophobicContact CB-CB 4.2Å; R160-D163 PolarHBondContact N-OD2 2.91Å; R160-D163 VanDerWaalsContact N-OD2 3.11Å; R160-D163 WeakPolarHBondContact O-CB 3.46Å; R160-D163 PolarHBondContact O-N 2.77Å; H161-D163 PolarHBondContact O-N 3.11Å; H161-D163 VanDerWaalsContact O-N 3.17Å
164L97.2Very high91.1Very high6 Ų650.6 Ų50.63%0.03124%0.243CC..SBendtrans-69.1147.3177.3-63171.9000111.1I156 A158 H161 R162 R166 I168 Q169 I404 A405 T408I156-L164 HydrophobicContact CG1-CD2 3.92Å; I156-L164 HydrophobicContact CG2-CD2 3.85Å; A158-L164 HydrophobicContact CB-CD2 3.5Å; A158-L164 HydrophobicContact CB-CG 4.17Å; H161-L164 VanDerWaalsContact O-CB 3.22Å; H161-L164 WeakPolarHBondContact O-CB 3.48Å; H161-L164 VanDerWaalsContact O-CG 3.26Å; H161-L164 WeakPolarHBondContact O-CG 3.33Å; H161-L164 PolarHBondContact O-N 2.91Å; H161-L164 VanDerWaalsContact O-N 3.08Å; R162-L164 VanDerWaalsContact C-N 3.28Å; L164-R166 PolarHBondContact O-N 2.96Å; L164-I168 HydrophobicContact CB-CD1 4.37Å; L164-I168 HydrophobicContact CB-CG1 4.21Å; L164-I168 HydrophobicContact CD2-CD1 3.99Å; L164-Q169 HydrophobicContact CB-CG 3.89Å; L164-Q169 PolarHBondContact O-NE2 2.9Å; L164-I404 HydrophobicContact CD2-CG2 4.01Å; L164-A405 HydrophobicContact CD1-CB 4.36Å; L164-T408 HydrophobicContact CD1-CG2 4.23Å; L164-T408 HydrophobicContact CD2-CG2 4.42Å; L164-T408 HydrophobicContact CG-CG2 4.32Å
165P95.8Very high89.4Confident37 Ų3751.1 Ų51.124%0.2425%0.254CS..  trans-50.5135.9163.1-24.933.1000111.2Y143 D167 I168 Q169Y143-P165 HydrophobicContact CD1-CG 4.26Å; Y143-P165 HydrophobicContact CE1-CB 4.11Å; Y143-P165 HydrophobicContact CE1-CG 3.82Å; P165-D167 PolarHBondContact O-N 3.13Å; P165-D167 VanDerWaalsContact O-N 3.09Å; P165-I168 HydrophobicContact CB-CG1 4.25Å; P165-I168 HydrophobicContact CG-CG1 4.48Å; P165-I168 VanDerWaalsContact O-CG1 3.28Å; P165-I168 WeakPolarHBondContact O-CG1 3.41Å; P165-I168 PolarHBondContact O-N 3.23Å; P165-Q169 PolarHBondContact O-N 2.98Å
166R93.8Very high88.2Confident42 Ų4251.7 Ų51.716%0.15826%0.257CS..G310 helixtrans-54.3-34.4-175-172.767.5-173.6123.89.4113.1D80 W103 V105 L164 I168 Q169 F170 D171D80-R166 IonicContact OD2-NE 2.68Å; W103-R166 HydrophobicContact CB-CB 4Å; W103-R166 HydrophobicContact CB-CG 3.47Å; W103-R166 VanDerWaalsContact CB-CG 3.47Å; W103-R166 HydrophobicContact CD2-CG 3.91Å; W103-R166 HydrophobicContact CG-CB 4.35Å; W103-R166 HydrophobicContact CG-CG 3.42Å; W103-R166 VanDerWaalsContact CG-CG 3.42Å; V105-R166 HydrophobicContact CG2-CB 3.76Å; V105-R166 HydrophobicContact CG2-CG 3.94Å; L164-R166 PolarHBondContact O-N 2.96Å; R166-I168 PolarHBondContact O-N 3.47Å; R166-I168 VanDerWaalsContact O-N 3.14Å; R166-Q169 PolarHBondContact O-N 3.3Å; R166-Q169 VanDerWaalsContact O-N 3.17Å; R166-F170 PolarHBondContact NH1-O 3.31Å; R166-D171 PolarHBondContact NH2-O 3.47Å
167D93.6Very high87.8Confident43 Ų4352.9 Ų52.923%0.2326%0.263CS..G310 helixtrans-57.7-24.4177.4-69.5-29.7000115.1R102 W103 P165R102-D167 WeakPolarHBondContact CB-OD1 3.04Å; R102-D167 IonicContact CZ-OD2 2.81Å; R102-D167 IonicContact NE-OD1 2.72Å; R102-D167 IonicContact NE-OD2 3.46Å; R102-D167 PolarHBondContact NE-OD2 3.03Å; R102-D167 IonicContact NH2-OD2 3.73Å; R102-D167 PolarHBondContact NH2-OD2 2.92Å; W103-D167 PolarHBondContact N-OD1 3.01Å; P165-D167 PolarHBondContact O-N 3.13Å; P165-D167 VanDerWaalsContact O-N 3.09Å
168I95.9Very high87.3Confident10 Ų1050.8 Ų50.85%0.05125%0.252CS..G310 helixtrans-11813.1-178.861.6158.4000112.6Y143 L164 P165 R166 F383 I404 A405Y143-I168 HydrophobicContact CD1-CD1 4.03Å; Y143-I168 HydrophobicContact CE1-CD1 3.75Å; Y143-I168 HydrophobicContact CE1-CG1 4.01Å; Y143-I168 HydrophobicContact CE1-CG2 3.92Å; L164-I168 HydrophobicContact CB-CD1 4.37Å; L164-I168 HydrophobicContact CB-CG1 4.21Å; L164-I168 HydrophobicContact CD2-CD1 3.99Å; P165-I168 HydrophobicContact CB-CG1 4.25Å; P165-I168 HydrophobicContact CG-CG1 4.48Å; P165-I168 VanDerWaalsContact O-CG1 3.28Å; P165-I168 WeakPolarHBondContact O-CG1 3.41Å; P165-I168 PolarHBondContact O-N 3.23Å; R166-I168 PolarHBondContact O-N 3.47Å; R166-I168 VanDerWaalsContact O-N 3.14Å; I168-F383 HydrophobicContact CG2-CD2 4.27Å; I168-F383 HydrophobicContact CG2-CE1 4.09Å; I168-F383 HydrophobicContact CG2-CE2 3.54Å; I168-F383 HydrophobicContact CG2-CZ 3.43Å; I168-F383 VanDerWaalsContact CG2-CZ 3.43Å; I168-I404 HydrophobicContact CD1-CB 4.08Å; I168-I404 HydrophobicContact CD1-CD1 3.99Å; I168-I404 HydrophobicContact CD1-CG2 3.71Å; I168-A405 WeakPolarHBondContact O-CB 3.42Å
169Q95.3Very high87Confident29 Ų2954.4 Ų54.414%0.13627%0.269CS..SBendtrans-80.7171.3168.8-71.4-178.113.700110.8L164 P165 R166 F402L164-Q169 HydrophobicContact CB-CG 3.89Å; L164-Q169 PolarHBondContact O-NE2 2.9Å; P165-Q169 PolarHBondContact O-N 2.98Å; R166-Q169 PolarHBondContact O-N 3.3Å; R166-Q169 VanDerWaalsContact O-N 3.17Å; Q169-F402 WeakPolarHBondContact O-CD1 3.47Å; Q169-F402 WeakPolarHBondContact O-CE1 3.22Å
170F91.6Very high86.7Confident2 Ų252.4 Ų52.41%0.00926%0.258CS..  trans-71.7151.5165.9-68.7-64.1000109.9H161 R166 S172 V176 F402 A405 I406 K409H161-F170 AromaticContact CD2-CD2 3.8Å; H161-F170 AromaticContact NE2-CD2 3.28Å; H161-F170 VanDerWaalsContact NE2-CD2 3.28Å; H161-F170 WeakPolarHBondContact NE2-CD2 3.42Å; H161-F170 AromaticContact NE2-CG 3.9Å; H161-F170 PolarHBondContact NE2-N 3.44Å; H161-F170 VanDerWaalsContact NE2-N 3.18Å; R166-F170 PolarHBondContact NH1-O 3.31Å; F170-S172 PolarHBondContact O-N 3.03Å; F170-V176 HydrophobicContact CD1-CB 4.04Å; F170-V176 HydrophobicContact CD1-CG2 3.86Å; F170-V176 HydrophobicContact CD2-CB 3.89Å; F170-V176 HydrophobicContact CE1-CB 3.76Å; F170-V176 HydrophobicContact CE1-CG1 3.77Å; F170-V176 HydrophobicContact CE1-CG2 3.81Å; F170-V176 HydrophobicContact CE2-CB 3.65Å; F170-V176 HydrophobicContact CE2-CG1 3.82Å; F170-V176 HydrophobicContact CG-CB 4.1Å; F170-V176 HydrophobicContact CG-CG2 4.22Å; F170-V176 HydrophobicContact CZ-CB 3.57Å; F170-V176 HydrophobicContact CZ-CG1 3.37Å; F170-V176 HydrophobicContact CZ-CG2 4.17Å; F170-F402 HydrophobicContact CD1-CB 3.93Å; F170-F402 AromaticContact CD1-CD1 3.89Å; F170-F402 HydrophobicContact CD1-CD1 3.89Å; F170-F402 AromaticContact CD1-CD2 3.9Å; F170-F402 HydrophobicContact CD1-CD2 3.9Å; F170-F402 HydrophobicContact CD1-CE1 4.34Å; F170-F402 HydrophobicContact CD1-CE2 4.29Å; F170-F402 AromaticContact CD1-CG 3.66Å; F170-F402 HydrophobicContact CD1-CG 3.66Å; F170-F402 HydrophobicContact CE1-CB 3.6Å; F170-F402 HydrophobicContact CE1-CD1 4.44Å; F170-F402 HydrophobicContact CE1-CD2 4.11Å; F170-F402 AromaticContact CE1-CG 3.84Å; F170-F402 HydrophobicContact CE1-CG 3.84Å; F170-A405 HydrophobicContact CD1-CB 4.24Å; F170-A405 HydrophobicContact CD2-CB 3.88Å; F170-A405 HydrophobicContact CE1-CB 4.14Å; F170-A405 HydrophobicContact CE2-CB 3.72Å; F170-A405 HydrophobicContact CG-CB 4.12Å; F170-A405 HydrophobicContact CZ-CB 3.86Å; F170-I406 HydrophobicContact CZ-CB 3.78Å; F170-I406 HydrophobicContact CZ-CD1 3.94Å; F170-I406 HydrophobicContact CZ-CG1 4.46Å; F170-K409 HydrophobicContact CE2-CG 4.14Å
171D84.8Confident86.6Confident41 Ų4149 Ų4922%0.21925%0.248CC..SBendtrans-57.5-38.3172.8-64.3-27.1000110.8Q13 R166 R401Q13-D171 HydrophobicContact CB-CB 4.32Å; Q13-D171 HydrophobicContact CG-CB 4.22Å; R166-D171 PolarHBondContact NH2-O 3.47Å; D171-R401 IonicContact OD2-NH2 3.6Å; D171-R401 PolarHBondContact OD2-NH2 3.08Å
172S75.9Confident86.5Confident51 Ų5149.4 Ų49.436%0.35725%0.25SC..  trans-131.4120.9170.5-178.70000110.8F170 K174 G175F170-S172 PolarHBondContact O-N 3.03Å; S172-K174 PolarHBondContact O-N 3.26Å; S172-G175 PolarHBondContact O-N 2.94Å; S172-G175 VanDerWaalsContact O-N 3.11Å
173E61.9Low86.5Confident85 Ų8544.2 Ų44.240%0.39724%0.237SC..THydrogen-bonded Turntrans-60-33.1178.4-171.7178.1-178.300112.5G175 K409E173-G175 VanDerWaalsContact C-N 3.35Å; E173-K409 IonicContact OE1-NZ 3.88Å; E173-K409 PolarHBondContact OE1-NZ 3.49Å
174K58Low86.4Confident167 Ų16745.1 Ų45.173%0.72624%0.237SC*.THydrogen-bonded Turntrans-80.2-14.5179.7-66.1-176.5179.8177.50113.7S172 V176S172-K174 PolarHBondContact O-N 3.26Å; K174-V176 VanDerWaalsContact C-N 3.33Å
175G62.4Low86.3Confident34 Ų3444.9 Ų44.935%0.35124%0.236SC..THydrogen-bonded Turntrans-72.9-28.5179.600000112.8S172 E173S172-G175 PolarHBondContact O-N 2.94Å; S172-G175 VanDerWaalsContact O-N 3.11Å; E173-G175 VanDerWaalsContact C-N 3.35Å
176V74.4Confident86.3Confident17 Ų1743.1 Ų43.110%0.10323%0.225CC..SBendtrans-136.567.4-174.1-164.20000109.9F170 K174 I406F170-V176 HydrophobicContact CD1-CB 4.04Å; F170-V176 HydrophobicContact CD1-CG2 3.86Å; F170-V176 HydrophobicContact CD2-CB 3.89Å; F170-V176 HydrophobicContact CE1-CB 3.76Å; F170-V176 HydrophobicContact CE1-CG1 3.77Å; F170-V176 HydrophobicContact CE1-CG2 3.81Å; F170-V176 HydrophobicContact CE2-CB 3.65Å; F170-V176 HydrophobicContact CE2-CG1 3.82Å; F170-V176 HydrophobicContact CG-CB 4.1Å; F170-V176 HydrophobicContact CG-CG2 4.22Å; F170-V176 HydrophobicContact CZ-CB 3.57Å; F170-V176 HydrophobicContact CZ-CG1 3.37Å; F170-V176 HydrophobicContact CZ-CG2 4.17Å; K174-V176 VanDerWaalsContact C-N 3.33Å; V176-I406 HydrophobicContact CG1-CD1 3.6Å
177D89.1Confident86.4Confident27 Ų2747.1 Ų47.114%0.14425%0.245CC..  trans-118.6125.3177.7-179.1-82.3000109.7I179 L180 N181 K409 Q413D177-I179 PolarHBondContact O-N 3.13Å; D177-I179 WeakPolarHBondContact OD1-CB 3.44Å; D177-I179 PolarHBondContact OD1-N 3.03Å; D177-I179 VanDerWaalsContact OD1-N 3.14Å; D177-L180 HydrophobicContact CB-CB 4.05Å; D177-L180 PolarHBondContact O-N 2.93Å; D177-L180 PolarHBondContact OD1-N 3.37Å; D177-N181 WeakPolarHBondContact O-CB 3.49Å; D177-N181 PolarHBondContact O-N 3.02Å; D177-N181 PolarHBondContact O-ND2 3.47Å; D177-K409 IonicContact OD2-NZ 2.84Å; D177-Q413 PolarHBondContact OD2-NE2 2.66Å; D177-Q413 PolarHBondContact OD2-OE1 2.81Å
178F89.6Confident86.5Confident14 Ų1450.2 Ų50.26%0.06126%0.262CS..Hα-helixtrans-65.8-41-172.4-73.8-73.6000112.3Y182 I406 K409 A410 L414 I420 L607F178-Y182 AromaticContact CD1-CE1 3.89Å; F178-Y182 HydrophobicContact CD1-CE1 3.89Å; F178-Y182 VanDerWaalsContact O-CB 3.27Å; F178-Y182 WeakPolarHBondContact O-CB 3.4Å; F178-Y182 WeakPolarHBondContact O-CD1 3.46Å; F178-Y182 PolarHBondContact O-N 3.33Å; F178-I406 HydrophobicContact CE1-CD1 4.25Å; F178-I406 HydrophobicContact CE2-CD1 3.78Å; F178-I406 HydrophobicContact CE2-CG1 4.41Å; F178-I406 HydrophobicContact CZ-CD1 3.44Å; F178-I406 VanDerWaalsContact CZ-CD1 3.44Å; F178-I406 HydrophobicContact CZ-CG1 3.95Å; F178-K409 HydrophobicContact CD2-CB 4.03Å; F178-K409 HydrophobicContact CE2-CB 3.88Å; F178-A410 HydrophobicContact CE2-CB 3.81Å; F178-A410 HydrophobicContact CZ-CB 4.13Å; F178-L414 HydrophobicContact CD1-CD2 4.21Å; F178-L414 HydrophobicContact CD2-CB 4.31Å; F178-L414 HydrophobicContact CE1-CD2 3.95Å; F178-L414 HydrophobicContact CG-CB 4.39Å; F178-L414 HydrophobicContact CZ-CD2 4.15Å; F178-I420 HydrophobicContact CB-CD1 3.95Å; F178-L607 HydrophobicContact CE1-CD2 3.88Å
179I90.8Very high86.4Confident86 Ų8650.2 Ų50.244%0.44126%0.262SS..Hα-helixtrans-62.9-49.6-179.9-61.6169.8000109.4D177 S183 Q413 I420D177-I179 PolarHBondContact O-N 3.13Å; D177-I179 WeakPolarHBondContact OD1-CB 3.44Å; D177-I179 PolarHBondContact OD1-N 3.03Å; D177-I179 VanDerWaalsContact OD1-N 3.14Å; I179-S183 VanDerWaalsContact O-CB 3.28Å; I179-S183 WeakPolarHBondContact O-CB 3.24Å; I179-S183 PolarHBondContact O-N 2.82Å; I179-S183 PolarHBondContact O-OG 2.88Å; I179-Q413 HydrophobicContact CD1-CB 4.49Å; I179-Q413 HydrophobicContact CD1-CG 4.3Å; I179-Q413 HydrophobicContact CG1-CB 4.42Å; I179-I420 HydrophobicContact CB-CD1 4.32Å; I179-I420 HydrophobicContact CG1-CD1 3.67Å; I179-I420 HydrophobicContact CG1-CG1 4.34Å
180L90.3Very high86.4Confident62 Ų6253 Ų5333%0.32528%0.283SS..Hα-helixtrans-65.9-46.5-178.9-173.164.3000111.7D177 S183 K184D177-L180 HydrophobicContact CB-CB 4.05Å; D177-L180 PolarHBondContact O-N 2.93Å; D177-L180 PolarHBondContact OD1-N 3.37Å; L180-S183 PolarHBondContact O-N 3.24Å; L180-K184 HydrophobicContact CD1-CD 4.36Å; L180-K184 HydrophobicContact CD1-CG 4.48Å; L180-K184 HydrophobicContact CG-CD 4.1Å; L180-K184 WeakPolarHBondContact O-CB 3.44Å; L180-K184 VanDerWaalsContact O-CG 3.3Å; L180-K184 WeakPolarHBondContact O-CG 3.49Å; L180-K184 PolarHBondContact O-N 2.9Å
181N92.4Very high86.5Confident44 Ų4453 Ų5324%0.23528%0.283CS..Hα-helixtrans-67.1-41.1-176.1-70.7-7.2000111.3D177 A185 A606D177-N181 WeakPolarHBondContact O-CB 3.49Å; D177-N181 PolarHBondContact O-N 3.02Å; D177-N181 PolarHBondContact O-ND2 3.47Å; N181-A185 VanDerWaalsContact O-CB 3.3Å; N181-A185 WeakPolarHBondContact O-CB 3.42Å; N181-A185 PolarHBondContact O-N 3.32Å; N181-A606 HydrophobicContact CB-CB 4.41Å
182Y94.7Very high87Confident8 Ų855.2 Ų55.23%0.03130%0.295CS..Hα-helixtrans-70.7-40.1178.7-74.422.4000111.2F178 A185 I186 L414 I420 A603 A606 L607F178-Y182 AromaticContact CD1-CE1 3.89Å; F178-Y182 HydrophobicContact CD1-CE1 3.89Å; F178-Y182 VanDerWaalsContact O-CB 3.27Å; F178-Y182 WeakPolarHBondContact O-CB 3.4Å; F178-Y182 WeakPolarHBondContact O-CD1 3.46Å; F178-Y182 PolarHBondContact O-N 3.33Å; Y182-A185 WeakPolarHBondContact O-CB 3.47Å; Y182-A185 PolarHBondContact O-N 3.48Å; Y182-I186 WeakPolarHBondContact O-CB 3.4Å; Y182-I186 VanDerWaalsContact O-CG1 3.28Å; Y182-I186 WeakPolarHBondContact O-CG1 3.48Å; Y182-I186 PolarHBondContact O-N 2.9Å; Y182-L414 HydrophobicContact CE2-CD1 4.14Å; Y182-I420 HydrophobicContact CD2-CG2 3.69Å; Y182-I420 HydrophobicContact CE2-CG2 3.94Å; Y182-A603 HydrophobicContact CD2-CB 3.77Å; Y182-A603 HydrophobicContact CE1-CB 4.32Å; Y182-A603 HydrophobicContact CE2-CB 3.22Å; Y182-A606 HydrophobicContact CD1-CB 3.63Å; Y182-A606 HydrophobicContact CE1-CB 3.84Å; Y182-L607 HydrophobicContact CE1-CD2 4.42Å; Y182-L607 HydrophobicContact CE1-CG 4.3Å; Y182-L607 WeakPolarHBondContact OH-CD1 3.41Å
183S92.9Very high87.9Confident45 Ų4556.5 Ų56.532%0.31531%0.305SS..Hα-helixtrans-63.8-43.9177-56.70000111.5I179 L180 A185 I186 E187I179-S183 VanDerWaalsContact O-CB 3.28Å; I179-S183 WeakPolarHBondContact O-CB 3.24Å; I179-S183 PolarHBondContact O-N 2.82Å; I179-S183 PolarHBondContact O-OG 2.88Å; L180-S183 PolarHBondContact O-N 3.24Å; S183-A185 VanDerWaalsContact C-N 3.35Å; S183-I186 PolarHBondContact O-N 3.49Å; S183-E187 PolarHBondContact O-N 3.27Å
184K93.8Very high89.5Confident98 Ų9853.8 Ų53.843%0.42629%0.292SS..Hα-helixtrans-62.4-40.5173.4-76.4176.1176.9175.10112.1L180 E187 N188L180-K184 HydrophobicContact CD1-CD 4.36Å; L180-K184 HydrophobicContact CD1-CG 4.48Å; L180-K184 HydrophobicContact CG-CD 4.1Å; L180-K184 WeakPolarHBondContact O-CB 3.44Å; L180-K184 VanDerWaalsContact O-CG 3.3Å; L180-K184 WeakPolarHBondContact O-CG 3.49Å; L180-K184 PolarHBondContact O-N 2.9Å; K184-E187 PolarHBondContact O-N 3.43Å; K184-N188 WeakPolarHBondContact O-CB 3.25Å; K184-N188 PolarHBondContact O-N 3.43Å; K184-N188 PolarHBondContact O-ND2 3.4Å
185A95.6Very high91.2Very high0 Ų048.1 Ų48.10%027%0.268CS..Hα-helixtrans-61.3-47.2175.700000111.2N181 Y182 S183 E187 N188 L189 G602 W605 A606N181-A185 VanDerWaalsContact O-CB 3.3Å; N181-A185 WeakPolarHBondContact O-CB 3.42Å; N181-A185 PolarHBondContact O-N 3.32Å; Y182-A185 WeakPolarHBondContact O-CB 3.47Å; Y182-A185 PolarHBondContact O-N 3.48Å; S183-A185 VanDerWaalsContact C-N 3.35Å; A185-E187 VanDerWaalsContact C-N 3.28Å; A185-E187 PolarHBondContact O-N 2.85Å; A185-N188 PolarHBondContact O-N 3.47Å; A185-L189 VanDerWaalsContact O-CB 3.27Å; A185-L189 WeakPolarHBondContact O-CB 3.37Å; A185-L189 WeakPolarHBondContact O-CG 3.31Å; A185-L189 PolarHBondContact O-N 3.16Å; A185-G602 WeakPolarHBondContact CB-O 3.32Å; A185-W605 HydrophobicContact CB-CD2 4.21Å; A185-W605 HydrophobicContact CB-CE3 3.37Å; A185-W605 HydrophobicContact CB-CZ3 3.92Å; A185-A606 HydrophobicContact CB-CB 4.22Å
186I96.1Very high92.8Very high1 Ų152.5 Ų52.51%0.00528%0.284CS..Hα-helixtrans-57.8-41.1176.6-74.5169.9000111.6Y182 S183 C190 V191 N192 M195 W599Y182-I186 WeakPolarHBondContact O-CB 3.4Å; Y182-I186 VanDerWaalsContact O-CG1 3.28Å; Y182-I186 WeakPolarHBondContact O-CG1 3.48Å; Y182-I186 PolarHBondContact O-N 2.9Å; S183-I186 PolarHBondContact O-N 3.49Å; I186-C190 PolarHBondContact O-N 2.78Å; I186-V191 HydrophobicContact CB-CG2 4.38Å; I186-V191 HydrophobicContact CG1-CG2 4.47Å; I186-V191 HydrophobicContact CG2-CG2 4.14Å; I186-V191 WeakPolarHBondContact O-CG2 3.36Å; I186-V191 PolarHBondContact O-N 3.12Å; I186-N192 VanDerWaalsContact CG2-CA 3.41Å; I186-N192 HydrophobicContact CG2-CB 3.86Å; I186-N192 PolarHBondContact O-N 2.92Å; I186-M195 HydrophobicContact CD1-CG 4.16Å; I186-M195 HydrophobicContact CD1-SD 4.02Å; I186-M195 HydrophobicContact CG2-CB 4.34Å; I186-M195 HydrophobicContact CG2-CG 4.49Å; I186-M195 HydrophobicContact CG2-SD 4.15Å; I186-W599 HydrophobicContact CD1-CD2 3.99Å; I186-W599 HydrophobicContact CD1-CE3 3.89Å; I186-W599 HydrophobicContact CD1-CG 4.48Å; I186-W599 HydrophobicContact CD1-CZ3 4.2Å
187E95.4Very high93.9Very high126 Ų12654.5 Ų54.559%0.58929%0.292SS*.Hα-helixtrans-66.2-50.9175-174.3176.1-171.100111.9S183 K184 A185 L189 C190S183-E187 PolarHBondContact O-N 3.27Å; K184-E187 PolarHBondContact O-N 3.43Å; A185-E187 VanDerWaalsContact C-N 3.28Å; A185-E187 PolarHBondContact O-N 2.85Å; E187-L189 VanDerWaalsContact C-N 3.27Å; E187-L189 PolarHBondContact O-N 2.82Å; E187-C190 WeakPolarHBondContact O-CA 3.37Å; E187-C190 PolarHBondContact O-N 3.31Å
188N94.6Very high94.3Very high107 Ų10755.3 Ų55.357%0.57230%0.295SS*.Hα-helixtrans-60.3-36.2179.7-71.9-15.6000112.6K184 A185 C190K184-N188 WeakPolarHBondContact O-CB 3.25Å; K184-N188 PolarHBondContact O-N 3.43Å; K184-N188 PolarHBondContact O-ND2 3.4Å; A185-N188 PolarHBondContact O-N 3.47Å; N188-C190 PolarHBondContact O-N 2.98Å
189L95.1Very high94.7Very high10 Ų1059.4 Ų59.45%0.05231%0.314CS..THydrogen-bonded Turntrans-78.8-0.8176.3-64.9175.1000112.9A185 E187 V191 I215 Y558 L601 W605A185-L189 VanDerWaalsContact O-CB 3.27Å; A185-L189 WeakPolarHBondContact O-CB 3.37Å; A185-L189 WeakPolarHBondContact O-CG 3.31Å; A185-L189 PolarHBondContact O-N 3.16Å; E187-L189 VanDerWaalsContact C-N 3.27Å; E187-L189 PolarHBondContact O-N 2.82Å; L189-V191 HydrophobicContact CB-CG2 3.98Å; L189-V191 PolarHBondContact O-N 3.3Å; L189-I215 HydrophobicContact CB-CG2 4.13Å; L189-I215 HydrophobicContact CD2-CB 3.85Å; L189-I215 HydrophobicContact CD2-CD1 4.46Å; L189-I215 HydrophobicContact CD2-CG2 3.83Å; L189-I215 VanDerWaalsContact O-CG2 3.32Å; L189-I215 WeakPolarHBondContact O-CG2 3.49Å; L189-Y558 HydrophobicContact CD1-CE2 4.36Å; L189-Y558 WeakPolarHBondContact CD2-OH 3.43Å; L189-L601 HydrophobicContact CD1-CB 4.2Å; L189-W605 HydrophobicContact CD1-CB 3.9Å; L189-W605 HydrophobicContact CD1-CG 4.07Å; L189-W605 HydrophobicContact CD2-CG 4.31Å; L189-W605 HydrophobicContact CG-CG 4.46Å
190C94.2Very high95Very high87 Ų8757.4 Ų57.459%0.58831%0.308SS*.THydrogen-bonded Turntrans56.234.2-179.1-60.50000113.3I186 E187 N188I186-C190 PolarHBondContact O-N 2.78Å; E187-C190 WeakPolarHBondContact O-CA 3.37Å; E187-C190 PolarHBondContact O-N 3.31Å; N188-C190 PolarHBondContact O-N 2.98Å
191V94.3Very high95.3Very high2 Ų256.5 Ų56.51%0.01231%0.306CS..  trans-110.55.8177.8-65.20000113I186 L189 S193 F194 I211 S598 L601I186-V191 HydrophobicContact CB-CG2 4.38Å; I186-V191 HydrophobicContact CG1-CG2 4.47Å; I186-V191 HydrophobicContact CG2-CG2 4.14Å; I186-V191 WeakPolarHBondContact O-CG2 3.36Å; I186-V191 PolarHBondContact O-N 3.12Å; L189-V191 HydrophobicContact CB-CG2 3.98Å; L189-V191 PolarHBondContact O-N 3.3Å; V191-S193 PolarHBondContact O-N 3.47Å; V191-F194 HydrophobicContact CB-CD2 4.03Å; V191-F194 HydrophobicContact CG1-CD2 4.27Å; V191-F194 WeakPolarHBondContact O-CB 3.43Å; V191-F194 PolarHBondContact O-N 3.36Å; V191-I211 HydrophobicContact CG1-CG2 3.6Å; V191-S598 PolarHBondContact O-OG 2.82Å; V191-S598 VanDerWaalsContact O-OG 3.1Å; V191-L601 HydrophobicContact CG1-CD1 4.26Å
192N94.7Very high95.5Very high88 Ų8855.3 Ų55.347%0.47130%0.299SS..G310 helixtrans-56.2-31.7178.666.3-42.2000114.5I186 F194 M195I186-N192 VanDerWaalsContact CG2-CA 3.41Å; I186-N192 HydrophobicContact CG2-CB 3.86Å; I186-N192 PolarHBondContact O-N 2.92Å; N192-F194 PolarHBondContact O-N 2.78Å; N192-M195 WeakPolarHBondContact O-CB 3.5Å; N192-M195 PolarHBondContact O-N 3.33Å
193S95Very high95.4Very high79 Ų7958.9 Ų58.955%0.55233%0.325SS*.G310 helixtrans-61.4-22.5174.5570000113.3V191V191-S193 PolarHBondContact O-N 3.47Å
194F95.9Very high95.4Very high28 Ų2860 Ų6012%0.12333%0.327CS..G310 helixtrans-95.4-14-178.5-54.1-53.1000113.5V191 N192 N196 M197 W202 I211 R594 G595V191-F194 HydrophobicContact CB-CD2 4.03Å; V191-F194 HydrophobicContact CG1-CD2 4.27Å; V191-F194 WeakPolarHBondContact O-CB 3.43Å; V191-F194 PolarHBondContact O-N 3.36Å; N192-F194 PolarHBondContact O-N 2.78Å; F194-N196 PolarHBondContact O-N 2.82Å; F194-M197 HydrophobicContact CD1-SD 3.77Å; F194-M197 WeakPolarHBondContact O-CB 3.27Å; F194-M197 PolarHBondContact O-N 3Å; F194-W202 HydrophobicContact CD2-CH2 4.34Å; F194-W202 HydrophobicContact CE2-CH2 4.23Å; F194-W202 HydrophobicContact CZ-CH2 4.49Å; F194-I211 HydrophobicContact CE2-CD1 3.84Å; F194-I211 HydrophobicContact CE2-CG1 3.94Å; F194-I211 HydrophobicContact CE2-CG2 4.4Å; F194-I211 HydrophobicContact CZ-CD1 3.91Å; F194-I211 HydrophobicContact CZ-CG1 4.18Å; F194-R594 HydrophobicContact CB-CB 4.16Å; F194-R594 HydrophobicContact CD1-CB 4.26Å; F194-R594 HydrophobicContact CG-CB 4.38Å; F194-G595 VanDerWaalsContact O-CA 3.23Å; F194-G595 WeakPolarHBondContact O-CA 3.45Å
195M94.2Very high95.4Very high48 Ų4856.8 Ų56.824%0.23631%0.313CS..THydrogen-bonded Turntrans-54.1-24.2-168-17317665.800115.2I186 N192 F198 W599I186-M195 HydrophobicContact CD1-CG 4.16Å; I186-M195 HydrophobicContact CD1-SD 4.02Å; I186-M195 HydrophobicContact CG2-CB 4.34Å; I186-M195 HydrophobicContact CG2-CG 4.49Å; I186-M195 HydrophobicContact CG2-SD 4.15Å; N192-M195 WeakPolarHBondContact O-CB 3.5Å; N192-M195 PolarHBondContact O-N 3.33Å; M195-F198 WeakPolarHBondContact O-CE2 3.29Å; M195-W599 HydrophobicContact CG-CZ2 3.55Å; M195-W599 PolarHBondContact O-NE1 3.27Å; M195-W599 HydrophobicContact SD-CH2 4.18Å; M195-W599 HydrophobicContact SD-CZ2 3.72Å
196N96.1Very high95.2Very high126 Ų12658.9 Ų58.967%0.67433%0.33SS*.THydrogen-bonded Turntrans-111.96.9179-61.8-48.9000113.9F194 F198F194-N196 PolarHBondContact O-N 2.82Å; N196-F198 VanDerWaalsContact C-N 3.31Å; N196-F198 PolarHBondContact O-N 2.81Å; N196-F198 VanDerWaalsContact O-N 3.13Å
197M97.6Very high95Very high58 Ų5860.1 Ų60.129%0.28634%0.337SS..  trans-89.254.5-174.5-62.3-172.171.500112.9F194 Q199 S200 R594 G595F194-M197 HydrophobicContact CD1-SD 3.77Å; F194-M197 WeakPolarHBondContact O-CB 3.27Å; F194-M197 PolarHBondContact O-N 3Å; M197-Q199 PolarHBondContact O-N 3.44Å; M197-Q199 VanDerWaalsContact O-N 3.14Å; M197-S200 WeakPolarHBondContact CE-OG 3.42Å; M197-S200 PolarHBondContact O-N 3.46Å; M197-R594 HydrophobicContact CB-CB 4.12Å; M197-G595 PolarHBondContact O-N 2.95Å; M197-G595 VanDerWaalsContact O-N 3.09Å
198F97.4Very high94.8Very high45 Ų4554.4 Ų54.420%0.19731%0.31CS..THydrogen-bonded Turntrans-68.7-8.4-174.2-67.9-76000115.7M195 N196 K423 D593 R596 W599M195-F198 WeakPolarHBondContact O-CE2 3.29Å; N196-F198 VanDerWaalsContact C-N 3.31Å; N196-F198 PolarHBondContact O-N 2.81Å; N196-F198 VanDerWaalsContact O-N 3.13Å; F198-K423 WeakPolarHBondContact CE1-O 3.28Å; F198-D593 VanDerWaalsContact CA-OD1 3.32Å; F198-D593 WeakPolarHBondContact CA-OD1 3.31Å; F198-R596 HydrophobicContact CD1-CG 3.86Å; F198-R596 HydrophobicContact CE1-CG 4.16Å; F198-R596 PolarHBondContact O-NH1 3.36Å; F198-R596 VanDerWaalsContact O-NH1 3.13Å; F198-W599 AromaticContact CE1-CD1 3.89Å; F198-W599 AromaticContact CZ-CD1 3.57Å; F198-W599 AromaticContact CZ-NE1 3.49Å
199Q97.4Very high94.7Very high100 Ų10053.2 Ų53.247%0.46730%0.301SS..THydrogen-bonded Turntrans-118.111.1-179.5-55.4-53.3-41.100112.7M197 D299 Y301 T302M197-Q199 PolarHBondContact O-N 3.44Å; M197-Q199 VanDerWaalsContact O-N 3.14Å; Q199-D299 PolarHBondContact NE2-OD2 3.36Å; Q199-Y301 PolarHBondContact OE1-O 3.44Å; Q199-T302 VanDerWaalsContact CD-OG1 3.28Å; Q199-T302 PolarHBondContact NE2-OG1 3.39Å; Q199-T302 PolarHBondContact OE1-OG1 3.45Å
200S97.1Very high94.5Very high43 Ų4359 Ų5930%0.30133%0.326SS..  trans-112.6107-177.6-57.70000110.9M197 D593 R594M197-S200 WeakPolarHBondContact CE-OG 3.42Å; M197-S200 PolarHBondContact O-N 3.46Å; S200-D593 WeakPolarHBondContact O-CB 3.27Å; S200-R594 WeakPolarHBondContact O-CB 3.38Å; S200-R594 WeakPolarHBondContact O-CG 3.36Å; S200-R594 PolarHBondContact O-N 3.47Å
201S96.9Very high94.4Very high43 Ų4356.5 Ų56.530%0.30131%0.307SS..  trans-65.5155.5169.9-55.20000111.2R572S201-R572 PolarHBondContact OG-NH1 3.23Å; S201-R572 PolarHBondContact OG-NH2 3.4Å
202W96.8Very high94.2Very high20 Ų2056.4 Ų56.48%0.07631%0.306CS..  trans-61148.5158.5-58.8100.7000109.6F194 D207 F208 I211 I588 R594 S597F194-W202 HydrophobicContact CD2-CH2 4.34Å; F194-W202 HydrophobicContact CE2-CH2 4.23Å; F194-W202 HydrophobicContact CZ-CH2 4.49Å; W202-D207 HydrophobicContact CE3-CB 4.27Å; W202-F208 HydrophobicContact CD2-CB 3.91Å; W202-F208 HydrophobicContact CD2-CD2 4.15Å; W202-F208 HydrophobicContact CD2-CG 4.47Å; W202-F208 AromaticContact CE2-CD2 3.63Å; W202-F208 HydrophobicContact CE3-CB 4.03Å; W202-F208 HydrophobicContact CE3-CD2 4.43Å; W202-F208 HydrophobicContact CG-CB 4.24Å; W202-F208 AromaticContact CH2-CD2 3.85Å; W202-F208 HydrophobicContact CH2-CD2 3.85Å; W202-F208 AromaticContact CZ2-CD2 3.49Å; W202-F208 HydrophobicContact CZ2-CD2 3.49Å; W202-F208 VanDerWaalsContact CZ2-CD2 3.49Å; W202-F208 HydrophobicContact CZ2-CE2 4.07Å; W202-F208 HydrophobicContact CZ3-CB 4.49Å; W202-F208 HydrophobicContact CZ3-CD2 4.3Å; W202-I211 HydrophobicContact CH2-CG1 4.18Å; W202-I211 HydrophobicContact CZ3-CG1 4.07Å; W202-I588 HydrophobicContact CB-CG2 4.48Å; W202-I588 WeakPolarHBondContact O-CG2 3.43Å; W202-R594 HydrophobicContact CD2-CG 3.78Å; W202-R594 HydrophobicContact CE3-CG 3.98Å; W202-R594 HydrophobicContact CG-CG 4.36Å; W202-R594 HydrophobicContact CH2-CG 4.01Å; W202-R594 HydrophobicContact CZ2-CB 4.27Å; W202-R594 HydrophobicContact CZ2-CG 3.8Å; W202-R594 HydrophobicContact CZ3-CG 4.09Å; W202-S597 PolarHBondContact NE1-OG 2.79Å
203S93.1Very high94Very high82 Ų8255 Ų5557%0.57330%0.3SS*.SBendtrans-74.7-36.2178.660.10000112.3D207S203-D207 PolarHBondContact N-OD2 3.34Å; S203-D207 WeakPolarHBondContact OG-CB 3.01Å; S203-D207 PolarHBondContact OG-OD2 3.28Å
204D92.6Very high93.7Very high70 Ų7061 Ų6137%0.37431%0.311SS..SBendtrans-162.6-177.9178.753.850.2000109A206 D207D204-A206 VanDerWaalsContact C-N 3.29Å; D204-A206 PolarHBondContact O-N 3.48Å; D204-A206 VanDerWaalsContact OD1-CA 3.3Å; D204-A206 WeakPolarHBondContact OD1-CA 3.41Å; D204-A206 VanDerWaalsContact OD1-CB 3.28Å; D204-A206 WeakPolarHBondContact OD1-CB 3.47Å; D204-A206 PolarHBondContact OD1-N 2.63Å; D204-D207 WeakPolarHBondContact O-CB 3.45Å; D204-D207 PolarHBondContact O-N 3.3Å; D204-D207 PolarHBondContact OD1-N 2.91Å
205F92.8Very high93.6Very high30 Ų3060.9 Ų60.913%0.13231%0.311CS..Hα-helixtrans-65.7-30.6176.1-70.2-66.8000113.3D207 F208 E209 W227 P565 V584 I587 I588 L591F205-D207 VanDerWaalsContact C-N 3.3Å; F205-D207 PolarHBondContact O-N 3.31Å; F205-F208 PolarHBondContact O-N 3.5Å; F205-E209 WeakPolarHBondContact O-CB 3.49Å; F205-E209 PolarHBondContact O-N 2.71Å; F205-W227 HydrophobicContact CD1-CZ2 4.23Å; F205-W227 AromaticContact CE1-CH2 3.79Å; F205-W227 HydrophobicContact CE1-CH2 3.79Å; F205-W227 AromaticContact CE1-CZ2 3.75Å; F205-W227 HydrophobicContact CE1-CZ2 3.75Å; F205-W227 HydrophobicContact CE2-CZ2 4.47Å; F205-W227 AromaticContact CZ-CH2 3.73Å; F205-W227 HydrophobicContact CZ-CH2 3.73Å; F205-W227 AromaticContact CZ-CZ2 3.89Å; F205-W227 HydrophobicContact CZ-CZ2 3.89Å; F205-P565 HydrophobicContact CD1-CG 4.07Å; F205-P565 HydrophobicContact CE1-CB 4.14Å; F205-P565 HydrophobicContact CE1-CG 3.8Å; F205-V584 HydrophobicContact CD2-CG2 4.13Å; F205-V584 HydrophobicContact CE2-CG2 3.82Å; F205-I587 HydrophobicContact CZ-CG2 3.88Å; F205-I588 HydrophobicContact CD1-CD1 3.81Å; F205-I588 HydrophobicContact CD2-CD1 4.07Å; F205-I588 HydrophobicContact CE1-CD1 3.82Å; F205-I588 HydrophobicContact CE2-CD1 4.09Å; F205-I588 HydrophobicContact CG-CD1 3.93Å; F205-I588 HydrophobicContact CZ-CD1 3.96Å; F205-L591 HydrophobicContact CE1-CD1 3.83Å; F205-L591 HydrophobicContact CZ-CD1 4.38Å
206A91.9Very high93.5Very high43 Ų4361.8 Ų61.836%0.35531%0.314SS..Hα-helixtrans-71-28.5-178.700000111.8D204 E209 K210D204-A206 VanDerWaalsContact C-N 3.29Å; D204-A206 PolarHBondContact O-N 3.48Å; D204-A206 VanDerWaalsContact OD1-CA 3.3Å; D204-A206 WeakPolarHBondContact OD1-CA 3.41Å; D204-A206 VanDerWaalsContact OD1-CB 3.28Å; D204-A206 WeakPolarHBondContact OD1-CB 3.47Å; D204-A206 PolarHBondContact OD1-N 2.63Å; A206-E209 PolarHBondContact O-N 2.68Å; A206-K210 VanDerWaalsContact O-CG 3.24Å; A206-K210 WeakPolarHBondContact O-CG 3.28Å; A206-K210 PolarHBondContact O-N 3.18Å
207D91.6Very high93.4Very high27 Ų2758.2 Ų58.214%0.14429%0.294CS..Hα-helixtrans-62.2-47.9172.4-170.331.3000111.7W202 S203 D204 F205 R594W202-D207 HydrophobicContact CE3-CB 4.27Å; S203-D207 PolarHBondContact N-OD2 3.34Å; S203-D207 WeakPolarHBondContact OG-CB 3.01Å; S203-D207 PolarHBondContact OG-OD2 3.28Å; D204-D207 WeakPolarHBondContact O-CB 3.45Å; D204-D207 PolarHBondContact O-N 3.3Å; D204-D207 PolarHBondContact OD1-N 2.91Å; F205-D207 VanDerWaalsContact C-N 3.3Å; F205-D207 PolarHBondContact O-N 3.31Å; D207-R594 IonicContact OD1-NH2 3.88Å; D207-R594 IonicContact OD2-CZ 3.85Å; D207-R594 IonicContact OD2-NE 3.11Å; D207-R594 IonicContact OD2-NH2 3.77Å; D207-R594 PolarHBondContact OD2-NH2 2.88Å
208F91.1Very high93.1Very high7 Ų761 Ų613%0.03132%0.315CS..Hα-helixtrans-67.3-41.9173.6-178.1-118.6000111.9W202 F205 K210 I211 F212 W563 I564 L601W202-F208 HydrophobicContact CD2-CB 3.91Å; W202-F208 HydrophobicContact CD2-CD2 4.15Å; W202-F208 HydrophobicContact CD2-CG 4.47Å; W202-F208 AromaticContact CE2-CD2 3.63Å; W202-F208 HydrophobicContact CE3-CB 4.03Å; W202-F208 HydrophobicContact CE3-CD2 4.43Å; W202-F208 HydrophobicContact CG-CB 4.24Å; W202-F208 AromaticContact CH2-CD2 3.85Å; W202-F208 HydrophobicContact CH2-CD2 3.85Å; W202-F208 AromaticContact CZ2-CD2 3.49Å; W202-F208 HydrophobicContact CZ2-CD2 3.49Å; W202-F208 VanDerWaalsContact CZ2-CD2 3.49Å; W202-F208 HydrophobicContact CZ2-CE2 4.07Å; W202-F208 HydrophobicContact CZ3-CB 4.49Å; W202-F208 HydrophobicContact CZ3-CD2 4.3Å; F205-F208 PolarHBondContact O-N 3.5Å; F208-K210 VanDerWaalsContact C-N 3.3Å; F208-K210 PolarHBondContact O-N 3.24Å; F208-I211 PolarHBondContact O-N 3.02Å; F208-I211 VanDerWaalsContact O-N 3.07Å; F208-F212 HydrophobicContact CE1-CB 4.34Å; F208-F212 HydrophobicContact CE1-CD2 4.28Å; F208-F212 HydrophobicContact CE1-CG 4.43Å; F208-F212 HydrophobicContact CZ-CB 4.48Å; F208-F212 HydrophobicContact CZ-CD2 4.15Å; F208-F212 WeakPolarHBondContact O-CB 3.5Å; F208-F212 PolarHBondContact O-N 2.76Å; F208-W563 HydrophobicContact CD1-CD2 4.49Å; F208-W563 AromaticContact CD1-CE3 3.74Å; F208-W563 HydrophobicContact CD1-CE3 3.74Å; F208-W563 AromaticContact CD1-CH2 3.9Å; F208-W563 HydrophobicContact CD1-CH2 3.9Å; F208-W563 AromaticContact CD1-CZ3 3.39Å; F208-W563 HydrophobicContact CD1-CZ3 3.39Å; F208-W563 HydrophobicContact CE1-CD2 4.16Å; F208-W563 AromaticContact CE1-CE3 3.47Å; F208-W563 HydrophobicContact CE1-CE3 3.47Å; F208-W563 VanDerWaalsContact CE1-CE3 3.47Å; F208-W563 HydrophobicContact CE1-CH2 4.47Å; F208-W563 AromaticContact CE1-CZ3 3.65Å; F208-W563 HydrophobicContact CE1-CZ3 3.65Å; F208-I564 HydrophobicContact CE1-CB 4.19Å; F208-I564 HydrophobicContact CE1-CG1 4.36Å; F208-I564 HydrophobicContact CE2-CD1 3.76Å; F208-I564 HydrophobicContact CE2-CG1 4.35Å; F208-I564 HydrophobicContact CZ-CB 4.09Å; F208-I564 HydrophobicContact CZ-CD1 3.7Å; F208-I564 HydrophobicContact CZ-CG1 3.76Å; F208-L601 HydrophobicContact CE2-CD1 4.18Å
209E93.2Very high93Very high81 Ų8159.7 Ų59.738%0.37931%0.31SS..Hα-helixtrans-55.8-42178.5-173.4177174.300112.3F205 A206 I211 F212 V213 M224 W563F205-E209 WeakPolarHBondContact O-CB 3.49Å; F205-E209 PolarHBondContact O-N 2.71Å; A206-E209 PolarHBondContact O-N 2.68Å; E209-I211 PolarHBondContact O-N 2.91Å; E209-I211 VanDerWaalsContact O-N 3.16Å; E209-F212 PolarHBondContact O-N 3.13Å; E209-F212 VanDerWaalsContact O-N 3.09Å; E209-V213 HydrophobicContact CG-CG1 3.98Å; E209-V213 WeakPolarHBondContact O-CG1 3.24Å; E209-V213 WeakPolarHBondContact O-CG2 3.49Å; E209-V213 PolarHBondContact O-N 3.47Å; E209-M224 HydrophobicContact CG-SD 3.9Å; E209-W563 HydrophobicContact CB-CH2 4.28Å; E209-W563 HydrophobicContact CB-CZ3 4.39Å
210K91.8Very high93Very high133 Ų13354.9 Ų54.958%0.57829%0.288SS*.Hα-helixtrans-56.1-32.7177.4-76.7164.3-171168.10113.8A206 F208 V213A206-K210 VanDerWaalsContact O-CG 3.24Å; A206-K210 WeakPolarHBondContact O-CG 3.28Å; A206-K210 PolarHBondContact O-N 3.18Å; F208-K210 VanDerWaalsContact C-N 3.3Å; F208-K210 PolarHBondContact O-N 3.24Å; K210-V213 WeakPolarHBondContact O-CG2 3.25Å
211I90.1Very high92.9Very high34 Ų3455.8 Ų55.817%0.17429%0.287CS..Hα-helixtrans-81-48.7175.1-57.5-56.4000109.4V191 F194 W202 F208 E209 V213 R214V191-I211 HydrophobicContact CG1-CG2 3.6Å; F194-I211 HydrophobicContact CE2-CD1 3.84Å; F194-I211 HydrophobicContact CE2-CG1 3.94Å; F194-I211 HydrophobicContact CE2-CG2 4.4Å; F194-I211 HydrophobicContact CZ-CD1 3.91Å; F194-I211 HydrophobicContact CZ-CG1 4.18Å; W202-I211 HydrophobicContact CH2-CG1 4.18Å; W202-I211 HydrophobicContact CZ3-CG1 4.07Å; F208-I211 PolarHBondContact O-N 3.02Å; F208-I211 VanDerWaalsContact O-N 3.07Å; E209-I211 PolarHBondContact O-N 2.91Å; E209-I211 VanDerWaalsContact O-N 3.16Å; I211-V213 VanDerWaalsContact C-N 3.33Å; I211-V213 PolarHBondContact O-N 3.09Å; I211-R214 PolarHBondContact O-N 2.88Å; I211-R214 VanDerWaalsContact O-N 3.17Å
212F90Very high92.9Very high0 Ų055.8 Ų55.80%028%0.281CS..Hα-helixtrans-60.8-37.5-174.1-171.1-103.3000113.6F208 E209 R214 I215 K216 S220 M224 S562 W563F208-F212 HydrophobicContact CE1-CB 4.34Å; F208-F212 HydrophobicContact CE1-CD2 4.28Å; F208-F212 HydrophobicContact CE1-CG 4.43Å; F208-F212 HydrophobicContact CZ-CB 4.48Å; F208-F212 HydrophobicContact CZ-CD2 4.15Å; F208-F212 WeakPolarHBondContact O-CB 3.5Å; F208-F212 PolarHBondContact O-N 2.76Å; E209-F212 PolarHBondContact O-N 3.13Å; E209-F212 VanDerWaalsContact O-N 3.09Å; F212-R214 PolarHBondContact O-N 3.35Å; F212-I215 HydrophobicContact CD2-CD1 4.39Å; F212-I215 HydrophobicContact CD2-CG1 4.23Å; F212-I215 WeakPolarHBondContact O-CG1 2.75Å; F212-I215 PolarHBondContact O-N 3.19Å; F212-K216 HydrophobicContact CD1-CB 4.11Å; F212-K216 HydrophobicContact CE1-CB 3.7Å; F212-K216 HydrophobicContact CZ-CB 4.09Å; F212-K216 PolarHBondContact O-N 3.36Å; F212-S220 WeakPolarHBondContact CE1-O 3.49Å; F212-S220 WeakPolarHBondContact CZ-OG 3.48Å; F212-M224 HydrophobicContact CD1-CB 4.2Å; F212-M224 HydrophobicContact CD1-CG 4.22Å; F212-M224 HydrophobicContact CD1-SD 3.59Å; F212-M224 VanDerWaalsContact CD1-SD 3.59Å; F212-M224 HydrophobicContact CE1-CB 3.8Å; F212-M224 HydrophobicContact CE1-CG 4.33Å; F212-M224 HydrophobicContact CE1-SD 4.05Å; F212-S562 WeakPolarHBondContact CE2-O 3.49Å; F212-S562 WeakPolarHBondContact CE2-OG 3.04Å; F212-W563 HydrophobicContact CB-CE3 4.24Å; F212-W563 HydrophobicContact CB-CZ3 4.1Å; F212-W563 AromaticContact CD1-CE3 3.6Å; F212-W563 HydrophobicContact CD1-CE3 3.6Å; F212-W563 HydrophobicContact CD1-CZ3 4Å; F212-W563 HydrophobicContact CD2-CE3 4.24Å; F212-W563 HydrophobicContact CE1-CB 4.41Å; F212-W563 AromaticContact CE1-CE3 3.92Å; F212-W563 HydrophobicContact CE1-CE3 3.92Å; F212-W563 HydrophobicContact CE2-CB 4.37Å; F212-W563 AromaticContact CG-CE3 3.75Å; F212-W563 HydrophobicContact CG-CE3 3.75Å; F212-W563 HydrophobicContact CG-CZ3 4.09Å; F212-W563 HydrophobicContact CZ-CB 3.99Å; F212-W563 HydrophobicContact CZ-CE3 4.36Å
213V91.7Very high93Very high58 Ų5854.9 Ų54.935%0.35228%0.277SS..THydrogen-bonded Turntrans-59.4-20.4179.7-67.70000114.2E209 K210 I211 M224E209-V213 HydrophobicContact CG-CG1 3.98Å; E209-V213 WeakPolarHBondContact O-CG1 3.24Å; E209-V213 WeakPolarHBondContact O-CG2 3.49Å; E209-V213 PolarHBondContact O-N 3.47Å; K210-V213 WeakPolarHBondContact O-CG2 3.25Å; I211-V213 VanDerWaalsContact C-N 3.33Å; I211-V213 PolarHBondContact O-N 3.09Å; V213-M224 HydrophobicContact CG1-SD 4.37Å
214R89.4Confident93.2Very high206 Ų20651.9 Ų51.978%0.77725%0.254SS*.THydrogen-bonded Turntrans-86.3-17.6178.5-58.3-178.3-178.3-171.5-2113.3I211 F212I211-R214 PolarHBondContact O-N 2.88Å; I211-R214 VanDerWaalsContact O-N 3.17Å; F212-R214 PolarHBondContact O-N 3.35Å
215I92.5Very high93.4Very high24 Ų2453.9 Ų53.912%0.12326%0.261CS..THydrogen-bonded Turntrans-123.4-6.5-171.162.3172000113.6L189 F212 Y558 L601L189-I215 HydrophobicContact CB-CG2 4.13Å; L189-I215 HydrophobicContact CD2-CB 3.85Å; L189-I215 HydrophobicContact CD2-CD1 4.46Å; L189-I215 HydrophobicContact CD2-CG2 3.83Å; L189-I215 VanDerWaalsContact O-CG2 3.32Å; L189-I215 WeakPolarHBondContact O-CG2 3.49Å; F212-I215 HydrophobicContact CD2-CD1 4.39Å; F212-I215 HydrophobicContact CD2-CG1 4.23Å; F212-I215 WeakPolarHBondContact O-CG1 2.75Å; F212-I215 PolarHBondContact O-N 3.19Å; I215-Y558 PolarHBondContact O-OH 2.94Å; I215-L601 HydrophobicContact CD1-CD1 3.93Å; I215-L601 HydrophobicContact CD1-CD2 4.18Å
216K92.3Very high93.7Very high67 Ų6754.3 Ų54.329%0.29126%0.264SS..  trans-59.1152.417867.8-175-179.5178.10112.5F212 S220 E221F212-K216 HydrophobicContact CD1-CB 4.11Å; F212-K216 HydrophobicContact CE1-CB 3.7Å; F212-K216 HydrophobicContact CZ-CB 4.09Å; F212-K216 PolarHBondContact O-N 3.36Å; K216-S220 WeakPolarHBondContact CA-OG 3.28Å; K216-E221 HydrophobicContact CB-CB 4.38Å; K216-E221 HydrophobicContact CD-CB 3.81Å; K216-E221 HydrophobicContact CD-CG 3.86Å; K216-E221 WeakPolarHBondContact CE-OE2 3.35Å; K216-E221 HydrophobicContact CG-CB 4.32Å; K216-E221 IonicContact NZ-OE1 3.61Å; K216-E221 PolarHBondContact NZ-OE1 2.84Å; K216-E221 IonicContact NZ-OE2 3.03Å; K216-E221 PolarHBondContact NZ-OE2 2.73Å
217N93.8Very high94Very high51 Ų5153 Ų5327%0.27325%0.25SC..  trans-114.6-175.7163.772.722.1000109.5I219 S220 E221 D559N217-I219 PolarHBondContact O-N 2.93Å; N217-I219 PolarHBondContact OD1-N 3.33Å; N217-I219 VanDerWaalsContact OD1-N 3.11Å; N217-S220 PolarHBondContact N-OG 3.45Å; N217-S220 PolarHBondContact O-N 2.91Å; N217-S220 WeakPolarHBondContact OD1-CB 3.11Å; N217-S220 PolarHBondContact OD1-N 3.11Å; N217-S220 PolarHBondContact OD1-OG 2.87Å; N217-E221 WeakPolarHBondContact O-CB 3.47Å; N217-E221 PolarHBondContact O-N 3.27Å; N217-D559 PolarHBondContact ND2-OD1 3.3Å; N217-D559 PolarHBondContact OD1-OD1 2.88Å
218T92.6Very high94.3Very high116 Ų11657.1 Ų57.171%0.71227%0.266SS*.Hα-helixtrans-57.3-47-175.7-49.90000113.6Y222T218-Y222 PolarHBondContact O-N 2.77Å
219I94.9Very high94.6Very high18 Ų1860.9 Ų60.99%0.09228%0.284CS..Hα-helixtrans-75.8-42.1-177.2-66171.3000109.8N217 E221 Y222 V223 D559 W560 L657N217-I219 PolarHBondContact O-N 2.93Å; N217-I219 PolarHBondContact OD1-N 3.33Å; N217-I219 VanDerWaalsContact OD1-N 3.11Å; I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 2.8Å; I219-Y222 CarbonylContact O-C 3.52Å; I219-Y222 WeakPolarHBondContact O-CA 3.15Å; I219-Y222 WeakPolarHBondContact O-CB 3.42Å; I219-Y222 PolarHBondContact O-N 2.61Å; I219-V223 HydrophobicContact CG2-CG2 4.27Å; I219-V223 WeakPolarHBondContact O-CG2 3.35Å; I219-V223 PolarHBondContact O-N 2.83Å; I219-D559 HydrophobicContact CB-CB 3.87Å; I219-D559 HydrophobicContact CD1-CB 4.26Å; I219-D559 WeakPolarHBondContact CD1-OD2 3.43Å; I219-D559 HydrophobicContact CG2-CB 3.76Å; I219-W560 HydrophobicContact CG2-CD2 4.34Å; I219-W560 HydrophobicContact CG2-CH2 4.32Å; I219-W560 HydrophobicContact CG2-CZ2 4.01Å; I219-L657 HydrophobicContact CG1-CD2 4.41Å; I219-L657 HydrophobicContact CG2-CD2 4.05Å
220S96.3Very high94.9Very high0 Ų059.2 Ų59.20%028%0.278CS..Hα-helixtrans-70.2-29.1-17781.70000112.8F212 K216 N217 V223 M224 D559 S562F212-S220 WeakPolarHBondContact CE1-O 3.49Å; F212-S220 WeakPolarHBondContact CZ-OG 3.48Å; K216-S220 WeakPolarHBondContact CA-OG 3.28Å; N217-S220 PolarHBondContact N-OG 3.45Å; N217-S220 PolarHBondContact O-N 2.91Å; N217-S220 WeakPolarHBondContact OD1-CB 3.11Å; N217-S220 PolarHBondContact OD1-N 3.11Å; N217-S220 PolarHBondContact OD1-OG 2.87Å; S220-V223 PolarHBondContact O-N 3.22Å; S220-M224 PolarHBondContact O-N 3.4Å; S220-D559 VanDerWaalsContact CA-O 3.27Å; S220-D559 WeakPolarHBondContact CA-O 3.42Å; S220-D559 VanDerWaalsContact CB-O 3.26Å; S220-D559 WeakPolarHBondContact CB-O 3.29Å; S220-S562 WeakPolarHBondContact CB-OG 2.88Å; S220-S562 PolarHBondContact OG-OG 3.47Å
221E96.6Very high95.2Very high62 Ų6255.4 Ų55.429%0.2926%0.261SS..Hα-helixtrans-61.8-46.8165.6-179161.3-160.400112.1K216 N217 I219 V223 M224 Q225K216-E221 HydrophobicContact CB-CB 4.38Å; K216-E221 HydrophobicContact CD-CB 3.81Å; K216-E221 HydrophobicContact CD-CG 3.86Å; K216-E221 WeakPolarHBondContact CE-OE2 3.35Å; K216-E221 HydrophobicContact CG-CB 4.32Å; K216-E221 IonicContact NZ-OE1 3.61Å; K216-E221 PolarHBondContact NZ-OE1 2.84Å; K216-E221 IonicContact NZ-OE2 3.03Å; K216-E221 PolarHBondContact NZ-OE2 2.73Å; N217-E221 WeakPolarHBondContact O-CB 3.47Å; N217-E221 PolarHBondContact O-N 3.27Å; I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 2.8Å; E221-V223 VanDerWaalsContact C-N 3.31Å; E221-V223 PolarHBondContact O-N 3.42Å; E221-M224 HydrophobicContact CG-CE 4.5Å; E221-M224 WeakPolarHBondContact O-CB 3.43Å; E221-M224 PolarHBondContact O-N 3.34Å; E221-Q225 WeakPolarHBondContact O-CG 3.43Å; E221-Q225 PolarHBondContact O-N 3.26Å; E221-Q225 VanDerWaalsContact O-N 3.07Å; E221-Q225 PolarHBondContact OE1-NE2 2.74Å
222Y96.9Very high95.6Very high43 Ų4353.9 Ų53.917%0.16925%0.253CS..Hα-helixtrans-61.7-42177.3-167.8-79.3000110.9T218 I219 Q225 H226 M232 K656 L657T218-Y222 PolarHBondContact O-N 2.77Å; I219-Y222 CarbonylContact O-C 3.52Å; I219-Y222 WeakPolarHBondContact O-CA 3.15Å; I219-Y222 WeakPolarHBondContact O-CB 3.42Å; I219-Y222 PolarHBondContact O-N 2.61Å; Y222-Q225 PolarHBondContact O-N 3.29Å; Y222-H226 HydrophobicContact CD1-CB 4.24Å; Y222-H226 AromaticContact CD1-CD2 3.5Å; Y222-H226 AromaticContact CD2-CD2 3.77Å; Y222-H226 HydrophobicContact CE1-CB 3.95Å; Y222-H226 AromaticContact CE1-CD2 3.3Å; Y222-H226 WeakPolarHBondContact CE1-CD2 3.38Å; Y222-H226 AromaticContact CE1-CG 3.72Å; Y222-H226 AromaticContact CE2-CD2 3.6Å; Y222-H226 AromaticContact CE2-NE2 3.62Å; Y222-H226 AromaticContact CG-CD2 3.73Å; Y222-H226 AromaticContact CZ-CD2 3.35Å; Y222-H226 AromaticContact CZ-CG 3.99Å; Y222-H226 AromaticContact CZ-NE2 3.65Å; Y222-H226 WeakPolarHBondContact O-CB 3.29Å; Y222-H226 PolarHBondContact O-CD2 3.28Å; Y222-H226 PolarHBondContact O-N 3.37Å; Y222-M232 HydrophobicContact CD1-CE 4.01Å; Y222-M232 HydrophobicContact CD1-SD 4.28Å; Y222-M232 HydrophobicContact CE1-CE 4.44Å; Y222-M232 HydrophobicContact CE1-SD 4.12Å; Y222-K656 HydrophobicContact CE2-CB 3.87Å; Y222-K656 HydrophobicContact CE2-CD 4.14Å; Y222-L657 HydrophobicContact CD1-CD1 3.61Å; Y222-L657 HydrophobicContact CD1-CD2 3.61Å; Y222-L657 HydrophobicContact CD1-CG 3.67Å; Y222-L657 HydrophobicContact CD2-CD2 4.48Å; Y222-L657 HydrophobicContact CD2-CG 4.46Å; Y222-L657 HydrophobicContact CE1-CD1 3.42Å; Y222-L657 VanDerWaalsContact CE1-CD1 3.42Å; Y222-L657 HydrophobicContact CE1-CD2 4.23Å; Y222-L657 HydrophobicContact CE1-CG 3.75Å; Y222-L657 HydrophobicContact CG-CD1 4.47Å; Y222-L657 HydrophobicContact CG-CD2 3.76Å; Y222-L657 HydrophobicContact CG-CG 4.05Å
223V97.9Very high96Very high0 Ų054 Ų540%025%0.254CS..Hα-helixtrans-58.1-50.4173.6175.60000110.5I219 S220 E221 Q225 H226 W227 M232 W560 W563 N566I219-V223 HydrophobicContact CG2-CG2 4.27Å; I219-V223 WeakPolarHBondContact O-CG2 3.35Å; I219-V223 PolarHBondContact O-N 2.83Å; S220-V223 PolarHBondContact O-N 3.22Å; E221-V223 VanDerWaalsContact C-N 3.31Å; E221-V223 PolarHBondContact O-N 3.42Å; V223-Q225 PolarHBondContact O-N 3.23Å; V223-H226 PolarHBondContact O-N 2.87Å; V223-H226 VanDerWaalsContact O-N 3.1Å; V223-W227 HydrophobicContact CG1-CB 4.26Å; V223-W227 WeakPolarHBondContact O-CA 3.47Å; V223-W227 VanDerWaalsContact O-CB 3.22Å; V223-W227 WeakPolarHBondContact O-CB 3.21Å; V223-W227 PolarHBondContact O-N 2.91Å; V223-M232 HydrophobicContact CB-CE 4.18Å; V223-M232 HydrophobicContact CG2-CE 3.46Å; V223-M232 VanDerWaalsContact CG2-CE 3.46Å; V223-W560 HydrophobicContact CG2-CE3 3.82Å; V223-W560 HydrophobicContact CG2-CZ3 4.12Å; V223-W563 HydrophobicContact CG1-CB 3.89Å; V223-W563 HydrophobicContact CG1-CG 4.28Å; V223-N566 HydrophobicContact CG1-CB 3.55Å
224M97.4Very high96.3Very high20 Ų2051.3 Ų51.310%0.09924%0.237CC..Hα-helixtrans-54.4-37.9177.6175.7-167.379.700112.6E209 F212 V213 S220 E221 W227 W563E209-M224 HydrophobicContact CG-SD 3.9Å; F212-M224 HydrophobicContact CD1-CB 4.2Å; F212-M224 HydrophobicContact CD1-CG 4.22Å; F212-M224 HydrophobicContact CD1-SD 3.59Å; F212-M224 VanDerWaalsContact CD1-SD 3.59Å; F212-M224 HydrophobicContact CE1-CB 3.8Å; F212-M224 HydrophobicContact CE1-CG 4.33Å; F212-M224 HydrophobicContact CE1-SD 4.05Å; V213-M224 HydrophobicContact CG1-SD 4.37Å; S220-M224 PolarHBondContact O-N 3.4Å; E221-M224 HydrophobicContact CG-CE 4.5Å; E221-M224 WeakPolarHBondContact O-CB 3.43Å; E221-M224 PolarHBondContact O-N 3.34Å; M224-W227 VanDerWaalsContact O-CD1 3.23Å; M224-W563 HydrophobicContact CB-CD2 3.85Å; M224-W563 HydrophobicContact CB-CE3 3.86Å; M224-W563 HydrophobicContact CB-CG 4.2Å; M224-W563 HydrophobicContact CB-CZ3 4.34Å; M224-W563 HydrophobicContact CG-CD2 3.95Å; M224-W563 HydrophobicContact CG-CE3 3.66Å; M224-W563 HydrophobicContact CG-CH2 3.85Å; M224-W563 HydrophobicContact CG-CZ2 4.11Å; M224-W563 HydrophobicContact CG-CZ3 3.61Å; M224-W563 HydrophobicContact SD-CE3 4.39Å; M224-W563 HydrophobicContact SD-CZ3 4.11Å
225Q97.1Very high96.8Very high111 Ų11142.3 Ų42.352%0.51920%0.204SC..Hα-helixtrans-76.1-32.8179.6-67.8173.58.700113.1E221 Y222 V223E221-Q225 WeakPolarHBondContact O-CG 3.43Å; E221-Q225 PolarHBondContact O-N 3.26Å; E221-Q225 VanDerWaalsContact O-N 3.07Å; E221-Q225 PolarHBondContact OE1-NE2 2.74Å; Y222-Q225 PolarHBondContact O-N 3.29Å; V223-Q225 PolarHBondContact O-N 3.23Å
226H98.1Very high97Very high39 Ų3941.3 Ų41.318%0.18120%0.198CC..Hα-helixtrans-119.9-1.1-166.1-62.9-72.5000115.3Y222 V223 K228 E229 M232Y222-H226 HydrophobicContact CD1-CB 4.24Å; Y222-H226 AromaticContact CD1-CD2 3.5Å; Y222-H226 AromaticContact CD2-CD2 3.77Å; Y222-H226 HydrophobicContact CE1-CB 3.95Å; Y222-H226 AromaticContact CE1-CD2 3.3Å; Y222-H226 WeakPolarHBondContact CE1-CD2 3.38Å; Y222-H226 AromaticContact CE1-CG 3.72Å; Y222-H226 AromaticContact CE2-CD2 3.6Å; Y222-H226 AromaticContact CE2-NE2 3.62Å; Y222-H226 AromaticContact CG-CD2 3.73Å; Y222-H226 AromaticContact CZ-CD2 3.35Å; Y222-H226 AromaticContact CZ-CG 3.99Å; Y222-H226 AromaticContact CZ-NE2 3.65Å; Y222-H226 WeakPolarHBondContact O-CB 3.29Å; Y222-H226 PolarHBondContact O-CD2 3.28Å; Y222-H226 PolarHBondContact O-N 3.37Å; V223-H226 PolarHBondContact O-N 2.87Å; V223-H226 VanDerWaalsContact O-N 3.1Å; H226-K228 PolarHBondContact O-N 3.32Å; H226-E229 IonicContact CE1-OE1 3.02Å; H226-E229 IonicContact CG-OE1 3.65Å; H226-E229 IonicContact ND1-OE1 3.66Å; H226-E229 PolarHBondContact ND1-OE1 2.72Å; H226-E229 IonicContact ND1-OE2 3.24Å; H226-E229 VanDerWaalsContact O-CB 3.29Å; H226-E229 WeakPolarHBondContact O-CB 3.39Å; H226-E229 PolarHBondContact O-N 3.09Å; H226-M232 HydrophobicContact CB-CB 4.27Å; H226-M232 HydrophobicContact CB-CG 4.14Å; H226-M232 VanDerWaalsContact O-CB 3.26Å; H226-M232 WeakPolarHBondContact O-CB 3.13Å
227W98.1Very high97.4Very high17 Ų1738.1 Ų38.16%0.06419%0.185CC..THydrogen-bonded Turntrans-58.7-23.2-173.971.3-75.7000115F205 V223 M224 E229 L348 I352 W563 P565 N566F205-W227 HydrophobicContact CD1-CZ2 4.23Å; F205-W227 AromaticContact CE1-CH2 3.79Å; F205-W227 HydrophobicContact CE1-CH2 3.79Å; F205-W227 AromaticContact CE1-CZ2 3.75Å; F205-W227 HydrophobicContact CE1-CZ2 3.75Å; F205-W227 HydrophobicContact CE2-CZ2 4.47Å; F205-W227 AromaticContact CZ-CH2 3.73Å; F205-W227 HydrophobicContact CZ-CH2 3.73Å; F205-W227 AromaticContact CZ-CZ2 3.89Å; F205-W227 HydrophobicContact CZ-CZ2 3.89Å; V223-W227 HydrophobicContact CG1-CB 4.26Å; V223-W227 WeakPolarHBondContact O-CA 3.47Å; V223-W227 VanDerWaalsContact O-CB 3.22Å; V223-W227 WeakPolarHBondContact O-CB 3.21Å; V223-W227 PolarHBondContact O-N 2.91Å; M224-W227 VanDerWaalsContact O-CD1 3.23Å; W227-E229 VanDerWaalsContact C-N 3.31Å; W227-L348 HydrophobicContact CE3-CD1 4.2Å; W227-L348 HydrophobicContact CH2-CD1 4Å; W227-L348 HydrophobicContact CH2-CD2 3.97Å; W227-L348 HydrophobicContact CH2-CG 4.25Å; W227-L348 HydrophobicContact CZ3-CD1 3.64Å; W227-L348 HydrophobicContact CZ3-CD2 4.44Å; W227-L348 HydrophobicContact CZ3-CG 4.24Å; W227-I352 HydrophobicContact CH2-CD1 4.03Å; W227-I352 HydrophobicContact CZ3-CD1 3.74Å; W227-I352 HydrophobicContact CZ3-CG1 3.78Å; W227-W563 AromaticContact CD1-CD1 3.85Å; W227-W563 AromaticContact CD1-CE2 3.97Å; W227-W563 AromaticContact CD1-NE1 3.12Å; W227-W563 AromaticContact CD2-NE1 3.56Å; W227-W563 AromaticContact CE2-NE1 3.5Å; W227-W563 AromaticContact CG-CD1 3.76Å; W227-W563 AromaticContact CG-NE1 3.32Å; W227-W563 VanDerWaalsContact CG-NE1 3.32Å; W227-W563 AromaticContact NE1-CE2 3.78Å; W227-W563 AromaticContact NE1-CZ2 3.84Å; W227-W563 AromaticContact NE1-NE1 3.19Å; W227-W563 VanDerWaalsContact NE1-NE1 3.19Å; W227-P565 HydrophobicContact CD2-CB 4.13Å; W227-P565 HydrophobicContact CE3-CB 3.83Å; W227-P565 HydrophobicContact CH2-CB 3.54Å; W227-P565 HydrophobicContact CH2-CG 4.48Å; W227-P565 HydrophobicContact CZ2-CB 3.85Å; W227-P565 HydrophobicContact CZ2-CG 4.46Å; W227-P565 HydrophobicContact CZ3-CB 3.52Å; W227-N566 HydrophobicContact CB-CB 4.15Å
228K98.3Very high97.6Very high113 Ų11335.9 Ų35.949%0.49117%0.172SC..THydrogen-bonded Turntrans-77.8-17.2176.5-61.6-177.1-177.6172.70112.8H226 L348 K351H226-K228 PolarHBondContact O-N 3.32Å; K228-L348 HydrophobicContact CB-CD1 4.35Å; K228-L348 HydrophobicContact CD-CD2 4.39Å; K228-L348 HydrophobicContact CG-CD1 4.02Å; K228-L348 HydrophobicContact CG-CD2 4.4Å; K228-K351 PolarHBondContact O-NZ 2.97Å
229E98.6Very high97.9Very high85 Ų8530.3 Ų30.340%0.39714%0.138SC..SBendtrans-76.5134.8-177.9-60.4179.3-169.800111.7H226 W227 F231 M232 F233H226-E229 IonicContact CE1-OE1 3.02Å; H226-E229 IonicContact CG-OE1 3.65Å; H226-E229 IonicContact ND1-OE1 3.66Å; H226-E229 PolarHBondContact ND1-OE1 2.72Å; H226-E229 IonicContact ND1-OE2 3.24Å; H226-E229 VanDerWaalsContact O-CB 3.29Å; H226-E229 WeakPolarHBondContact O-CB 3.39Å; H226-E229 PolarHBondContact O-N 3.09Å; W227-E229 VanDerWaalsContact C-N 3.31Å; E229-F231 VanDerWaalsContact C-N 3.26Å; E229-F231 PolarHBondContact O-N 3Å; E229-M232 HydrophobicContact CB-CB 4.19Å; E229-M232 PolarHBondContact O-N 3.04Å; E229-M232 VanDerWaalsContact O-N 3.13Å; E229-F233 PolarHBondContact O-N 3.41Å
230D98.7Very high98Very high46 Ų4629.5 Ų29.525%0.24613%0.134CC..Hα-helixtrans-62-34.5178.6-72.2-19.6000112.8F233 G234 L322 P323 W347 K351D230-F233 PolarHBondContact O-N 3.12Å; D230-G234 PolarHBondContact O-N 2.92Å; D230-L322 HydrophobicContact CB-CD2 4.4Å; D230-P323 HydrophobicContact CB-CG 3.91Å; D230-P323 VanDerWaalsContact O-CD 3.22Å; D230-P323 WeakPolarHBondContact O-CD 3.34Å; D230-W347 PolarHBondContact OD1-NE1 3.41Å; D230-W347 PolarHBondContact OD2-NE1 3.02Å; D230-K351 WeakPolarHBondContact OD1-CD 3.48Å; D230-K351 WeakPolarHBondContact OD1-CE 3.14Å; D230-K351 IonicContact OD1-NZ 3.04Å; D230-K351 PolarHBondContact OD1-NZ 3.41Å
231F97.6Very high98.1Very high53 Ų5329.6 Ų29.623%0.23214%0.135CC..Hα-helixtrans-63.4-43.5173.8172.7-118.7000112.2E229 F233 G234 Y235 K320 L322E229-F231 VanDerWaalsContact C-N 3.26Å; E229-F231 PolarHBondContact O-N 3Å; F231-F233 VanDerWaalsContact C-N 3.31Å; F231-F233 PolarHBondContact O-N 3.38Å; F231-G234 PolarHBondContact O-N 2.81Å; F231-Y235 HydrophobicContact CE2-CD2 4.37Å; F231-Y235 HydrophobicContact CZ-CD2 4.06Å; F231-Y235 WeakPolarHBondContact O-CB 3.48Å; F231-Y235 PolarHBondContact O-N 3.44Å; F231-K320 HydrophobicContact CD2-CB 3.76Å; F231-K320 HydrophobicContact CD2-CD 3.48Å; F231-K320 VanDerWaalsContact CD2-CD 3.48Å; F231-K320 HydrophobicContact CD2-CG 3.74Å; F231-K320 HydrophobicContact CE2-CB 3.91Å; F231-K320 HydrophobicContact CE2-CD 3.6Å; F231-K320 HydrophobicContact CE2-CG 3.55Å; F231-K320 HydrophobicContact CG-CD 4Å; F231-K320 HydrophobicContact CZ-CD 4.23Å; F231-K320 HydrophobicContact CZ-CG 4.4Å; F231-L322 HydrophobicContact CB-CD2 3.89Å
232M98.1Very high98.2Very high2 Ų226.7 Ų26.71%0.0112%0.121CC..Hα-helixtrans-67.7-35.6179.6-174.957.2175.100111.5Y222 V223 H226 E229 Q236 W560 L657Y222-M232 HydrophobicContact CD1-CE 4.01Å; Y222-M232 HydrophobicContact CD1-SD 4.28Å; Y222-M232 HydrophobicContact CE1-CE 4.44Å; Y222-M232 HydrophobicContact CE1-SD 4.12Å; V223-M232 HydrophobicContact CB-CE 4.18Å; V223-M232 HydrophobicContact CG2-CE 3.46Å; V223-M232 VanDerWaalsContact CG2-CE 3.46Å; H226-M232 HydrophobicContact CB-CB 4.27Å; H226-M232 HydrophobicContact CB-CG 4.14Å; H226-M232 VanDerWaalsContact O-CB 3.26Å; H226-M232 WeakPolarHBondContact O-CB 3.13Å; E229-M232 HydrophobicContact CB-CB 4.19Å; E229-M232 PolarHBondContact O-N 3.04Å; E229-M232 VanDerWaalsContact O-N 3.13Å; M232-Q236 WeakPolarHBondContact O-CG 3.44Å; M232-Q236 PolarHBondContact O-NE2 3.48Å; M232-Q236 VanDerWaalsContact O-NE2 3.14Å; M232-W560 HydrophobicContact CE-CE3 4.11Å; M232-W560 HydrophobicContact CE-CH2 4.04Å; M232-W560 HydrophobicContact CE-CZ3 3.29Å; M232-W560 HydrophobicContact SD-CZ3 4.24Å; M232-L657 HydrophobicContact CE-CD1 4.04Å; M232-L657 HydrophobicContact SD-CD1 3.74Å
233F98.8Very high98.3Very high4 Ų424.7 Ų24.72%0.01811%0.113CC..Hα-helixtrans-61.9-52.2171.7178.3-90.3000111.6E229 D230 F231 Y235 Q236 F237 P323 I326 K351 V354 R355E229-F233 PolarHBondContact O-N 3.41Å; D230-F233 PolarHBondContact O-N 3.12Å; F231-F233 VanDerWaalsContact C-N 3.31Å; F231-F233 PolarHBondContact O-N 3.38Å; F233-Y235 PolarHBondContact O-N 2.74Å; F233-Q236 PolarHBondContact O-N 3.08Å; F233-F237 AromaticContact CD1-CE2 3.92Å; F233-F237 HydrophobicContact CD1-CE2 3.92Å; F233-F237 AromaticContact CE1-CE2 3.5Å; F233-F237 HydrophobicContact CE1-CE2 3.5Å; F233-F237 HydrophobicContact CE1-CZ 4.01Å; F233-F237 AromaticContact CZ-CE2 3.95Å; F233-F237 HydrophobicContact CZ-CE2 3.95Å; F233-F237 AromaticContact CZ-CZ 3.97Å; F233-F237 HydrophobicContact CZ-CZ 3.97Å; F233-P323 HydrophobicContact CD1-CB 3.8Å; F233-P323 HydrophobicContact CD1-CG 3.5Å; F233-P323 VanDerWaalsContact CD1-CG 3.5Å; F233-P323 HydrophobicContact CE1-CB 3.74Å; F233-P323 HydrophobicContact CE1-CG 3.97Å; F233-P323 HydrophobicContact CG-CG 4.33Å; F233-I326 HydrophobicContact CZ-CD1 4.33Å; F233-K351 HydrophobicContact CB-CD 4.25Å; F233-K351 HydrophobicContact CD1-CD 4.35Å; F233-K351 HydrophobicContact CD2-CB 3.84Å; F233-K351 HydrophobicContact CD2-CD 3.98Å; F233-K351 HydrophobicContact CD2-CG 4.01Å; F233-K351 HydrophobicContact CE1-CG 4.49Å; F233-K351 HydrophobicContact CE2-CB 3.67Å; F233-K351 HydrophobicContact CE2-CD 4.39Å; F233-K351 HydrophobicContact CE2-CG 3.92Å; F233-K351 WeakPolarHBondContact CE2-O 3.42Å; F233-K351 HydrophobicContact CG-CD 3.95Å; F233-K351 HydrophobicContact CG-CG 4.34Å; F233-K351 HydrophobicContact CZ-CB 4.32Å; F233-K351 HydrophobicContact CZ-CG 4.15Å; F233-V354 HydrophobicContact CE2-CB 4.05Å; F233-V354 HydrophobicContact CE2-CG1 4.17Å; F233-V354 HydrophobicContact CZ-CB 3.76Å; F233-V354 HydrophobicContact CZ-CG1 3.62Å; F233-V354 HydrophobicContact CZ-CG2 4.34Å; F233-R355 HydrophobicContact CD2-CG 4.01Å; F233-R355 HydrophobicContact CE2-CG 3.87Å
234G98.6Very high98.3Very high0 Ų025.5 Ų25.50%012%0.118CC..Hα-helixtrans-66-34.8179.600000114D230 F231 Q236 F237 I321D230-G234 PolarHBondContact O-N 2.92Å; F231-G234 PolarHBondContact O-N 2.81Å; G234-Q236 PolarHBondContact O-N 3.44Å; G234-F237 PolarHBondContact O-N 3.01Å; G234-I321 WeakPolarHBondContact CA-O 2.86Å
235Y98.6Very high98.3Very high18 Ų1826 Ų267%0.07112%0.122CC..Hα-helixtrans-59-35.4178.5-177.9-95.7000112.8F231 F233 F237 L238 N239 F469 W560 L657F231-Y235 HydrophobicContact CE2-CD2 4.37Å; F231-Y235 HydrophobicContact CZ-CD2 4.06Å; F231-Y235 WeakPolarHBondContact O-CB 3.48Å; F231-Y235 PolarHBondContact O-N 3.44Å; F233-Y235 PolarHBondContact O-N 2.74Å; Y235-F237 VanDerWaalsContact C-N 3.29Å; Y235-F237 PolarHBondContact O-N 2.97Å; Y235-L238 PolarHBondContact O-N 3.08Å; Y235-L238 VanDerWaalsContact O-N 3.1Å; Y235-N239 HydrophobicContact CD1-CB 4.13Å; Y235-N239 HydrophobicContact CE1-CB 3.52Å; Y235-N239 HydrophobicContact CE2-CB 4.19Å; Y235-N239 WeakPolarHBondContact CE2-ND2 3.37Å; Y235-N239 PolarHBondContact O-N 3.23Å; Y235-F469 HydrophobicContact CE2-CE2 4.41Å; Y235-W560 AromaticContact CD1-CH2 3.88Å; Y235-W560 HydrophobicContact CD1-CH2 3.88Å; Y235-W560 HydrophobicContact CD1-CZ3 4.45Å; Y235-W560 AromaticContact CE1-CH2 3.76Å; Y235-W560 HydrophobicContact CE1-CH2 3.76Å; Y235-W560 HydrophobicContact CE1-CZ2 4.34Å; Y235-L657 HydrophobicContact CD1-CD1 4.17Å; Y235-L657 HydrophobicContact CE1-CB 4.27Å; Y235-L657 HydrophobicContact CE1-CD1 3.95Å; Y235-L657 PolarHBondContact OH-O 3.27Å
236Q98.8Very high98.4Very high2 Ų220.8 Ų20.81%0.00910%0.097CC..Hα-helixtrans-67-27.7-177.1-75.3176.884.800113.6M232 F233 G234 L238 G240 R355 W560 N566M232-Q236 WeakPolarHBondContact O-CG 3.44Å; M232-Q236 PolarHBondContact O-NE2 3.48Å; M232-Q236 VanDerWaalsContact O-NE2 3.14Å; F233-Q236 PolarHBondContact O-N 3.08Å; G234-Q236 PolarHBondContact O-N 3.44Å; Q236-L238 PolarHBondContact O-N 3.43Å; Q236-G240 VanDerWaalsContact O-CA 3.23Å; Q236-G240 WeakPolarHBondContact O-CA 3.43Å; Q236-G240 PolarHBondContact O-N 2.91Å; Q236-R355 VanDerWaalsContact OE1-NH2 3.17Å; Q236-W560 HydrophobicContact CG-CD2 4.5Å; Q236-W560 HydrophobicContact CG-CE3 3.55Å; Q236-W560 HydrophobicContact CG-CH2 4.39Å; Q236-W560 HydrophobicContact CG-CZ3 3.44Å; Q236-W560 VanDerWaalsContact CG-CZ3 3.44Å; Q236-N566 PolarHBondContact NE2-OD1 2.66Å; Q236-N566 PolarHBondContact OE1-ND2 3.19Å; Q236-N566 PolarHBondContact OE1-OD1 3.46Å
237F98.9Very high98.4Very high1 Ų120.8 Ų20.80%0.00410%0.101CC..Hα-helixtrans-69-17.1174.7-64.7-61.9000113.4F233 G234 Y235 P243 I246 V285 Y287 L313 V354F233-F237 AromaticContact CD1-CE2 3.92Å; F233-F237 HydrophobicContact CD1-CE2 3.92Å; F233-F237 AromaticContact CE1-CE2 3.5Å; F233-F237 HydrophobicContact CE1-CE2 3.5Å; F233-F237 HydrophobicContact CE1-CZ 4.01Å; F233-F237 AromaticContact CZ-CE2 3.95Å; F233-F237 HydrophobicContact CZ-CE2 3.95Å; F233-F237 AromaticContact CZ-CZ 3.97Å; F233-F237 HydrophobicContact CZ-CZ 3.97Å; G234-F237 PolarHBondContact O-N 3.01Å; Y235-F237 VanDerWaalsContact C-N 3.29Å; Y235-F237 PolarHBondContact O-N 2.97Å; F237-P243 WeakPolarHBondContact O-CA 3.49Å; F237-I246 HydrophobicContact CB-CB 4.03Å; F237-I246 HydrophobicContact CB-CD1 4.11Å; F237-I246 HydrophobicContact CB-CG2 4.04Å; F237-I246 VanDerWaalsContact O-CG2 3.25Å; F237-I246 WeakPolarHBondContact O-CG2 3.41Å; F237-V285 HydrophobicContact CD1-CG2 3.88Å; F237-V285 HydrophobicContact CD2-CG2 4.48Å; F237-V285 HydrophobicContact CE1-CB 4.48Å; F237-V285 HydrophobicContact CE1-CG1 4.21Å; F237-V285 HydrophobicContact CE1-CG2 3.96Å; F237-V285 HydrophobicContact CG-CG2 4.16Å; F237-V285 HydrophobicContact CZ-CG2 4.29Å; F237-Y287 WeakPolarHBondContact CE1-OH 3.44Å; F237-L313 HydrophobicContact CD2-CD2 3.66Å; F237-L313 HydrophobicContact CE2-CD2 3.81Å; F237-V354 HydrophobicContact CZ-CG1 3.9Å
238L98.7Very high98.4Very high3 Ų322.2 Ų22.22%0.01611%0.108CC..Hα-helixtrans-103.3-36.6176.3-59.8-177.7000112.5Y235 Q236 P243 I246 I321 M459 Y468 Y470Y235-L238 PolarHBondContact O-N 3.08Å; Y235-L238 VanDerWaalsContact O-N 3.1Å; Q236-L238 PolarHBondContact O-N 3.43Å; L238-P243 VanDerWaalsContact O-CB 3.23Å; L238-P243 WeakPolarHBondContact O-CB 3.45Å; L238-I246 HydrophobicContact CD2-CD1 4.39Å; L238-I246 HydrophobicContact CD2-CG2 3.91Å; L238-I321 HydrophobicContact CD1-CG1 3.83Å; L238-M459 HydrophobicContact CD2-CE 4.04Å; L238-Y468 HydrophobicContact CB-CD2 3.72Å; L238-Y468 HydrophobicContact CB-CE2 4.15Å; L238-Y468 HydrophobicContact CB-CG 4.29Å; L238-Y468 HydrophobicContact CD2-CD1 3.96Å; L238-Y468 HydrophobicContact CD2-CD2 3.85Å; L238-Y468 HydrophobicContact CD2-CE1 4.13Å; L238-Y468 HydrophobicContact CD2-CE2 4Å; L238-Y468 HydrophobicContact CD2-CG 3.81Å; L238-Y468 HydrophobicContact CG-CD2 4.34Å; L238-Y468 WeakPolarHBondContact O-CD2 3.11Å; L238-Y468 WeakPolarHBondContact O-CE2 3.43Å; L238-Y470 WeakPolarHBondContact O-CB 3.47Å
239N98.6Very high98.4Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-136.78-166.7-53.4-62.2000113.9Y235 T467 F469 W560 Y659Y235-N239 HydrophobicContact CD1-CB 4.13Å; Y235-N239 HydrophobicContact CE1-CB 3.52Å; Y235-N239 HydrophobicContact CE2-CB 4.19Å; Y235-N239 WeakPolarHBondContact CE2-ND2 3.37Å; Y235-N239 PolarHBondContact O-N 3.23Å; N239-T467 PolarHBondContact ND2-O 3.31Å; N239-T467 PolarHBondContact OD1-O 2.85Å; N239-F469 VanDerWaalsContact OD1-CB 3.3Å; N239-F469 WeakPolarHBondContact OD1-CB 3.34Å; N239-F469 WeakPolarHBondContact OD1-CD2 3.37Å; N239-F469 PolarHBondContact OD1-N 2.95Å; N239-W560 WeakPolarHBondContact O-CZ2 3.22Å; N239-Y659 HydrophobicContact CB-CD2 4.18Å
240G98.2Very high98.4Very high0 Ų018.8 Ų18.80%010%0.102CC..SBendtrans-81-157.8176.200000112.2Q236Q236-G240 VanDerWaalsContact O-CA 3.23Å; Q236-G240 WeakPolarHBondContact O-CA 3.43Å; Q236-G240 PolarHBondContact O-N 2.91Å
241C97.1Very high98.3Very high3 Ų323.9 Ų23.92%0.0213%0.125CC..SBendtrans-78.7-18.2179.6-157.90000114P243 H362 V553 G556 Q557 W560C241-P243 VanDerWaalsContact C-CD 3.45Å; C241-H362 PolarHBondContact O-CD2 3.5Å; C241-H362 PolarHBondContact O-NE2 3.42Å; C241-V553 PolarHBondContact SG-O 2.9Å; C241-V553 VanDerWaalsContact SG-O 3.34Å; C241-G556 VanDerWaalsContact SG-C 3.57Å; C241-Q557 PolarHBondContact SG-N 3.49Å; C241-W560 HydrophobicContact CB-CB 4.14Å; C241-W560 HydrophobicContact CB-CG 4.3Å
242N98.8Very high98.3Very high1 Ų123.1 Ų23.11%0.00512%0.123CC..  trans-129.358.8-179.2-166.535.6000113.4V244 L245 D358 H362 T366N242-V244 PolarHBondContact O-N 2.94Å; N242-V244 WeakPolarHBondContact OD1-CG2 3.41Å; N242-L245 WeakPolarHBondContact ND2-CD1 3.14Å; N242-D358 PolarHBondContact ND2-OD1 3.43Å; N242-H362 HydrophobicContact CB-CB 3.83Å; N242-T366 VanDerWaalsContact OD1-CB 3.28Å; N242-T366 WeakPolarHBondContact OD1-CB 3.41Å; N242-T366 WeakPolarHBondContact OD1-CG2 3.37Å; N242-T366 PolarHBondContact OD1-OG1 2.82Å
243P98.6Very high98.3Very high0 Ų024.8 Ų24.80%013%0.134CC..THydrogen-bonded Turntrans-81.541.2-171.737.1-38.6000113.2F237 L238 C241 Y468 Y470F237-P243 WeakPolarHBondContact O-CA 3.49Å; L238-P243 VanDerWaalsContact O-CB 3.23Å; L238-P243 WeakPolarHBondContact O-CB 3.45Å; C241-P243 VanDerWaalsContact C-CD 3.45Å; P243-Y468 HydrophobicContact CB-CE2 4.29Å; P243-Y468 PolarHBondContact O-OH 3.38Å; P243-Y470 HydrophobicContact CB-CD1 3.97Å; P243-Y470 HydrophobicContact CB-CG 3.94Å; P243-Y470 HydrophobicContact CG-CD1 3.75Å; P243-Y470 HydrophobicContact CG-CD2 3.65Å; P243-Y470 HydrophobicContact CG-CE1 4.21Å; P243-Y470 HydrophobicContact CG-CE2 4.1Å; P243-Y470 HydrophobicContact CG-CG 3.44Å; P243-Y470 VanDerWaalsContact CG-CG 3.44Å; P243-Y470 WeakPolarHBondContact O-CD1 3.43Å; P243-Y470 WeakPolarHBondContact O-CE1 3.23Å
244V98.5Very high98.2Very high17 Ų1732.1 Ų32.110%0.10317%0.173CC..THydrogen-bonded Turntrans-122.2-7.6-168.8-55.60000114.8N242 T366 R457 Y470N242-V244 PolarHBondContact O-N 2.94Å; N242-V244 WeakPolarHBondContact OD1-CG2 3.41Å; V244-T366 HydrophobicContact CG1-CG2 4.22Å; V244-T366 HydrophobicContact CG2-CG2 3.76Å; V244-T366 WeakPolarHBondContact CG2-OG1 3.41Å; V244-R457 VanDerWaalsContact C-CZ 3.48Å; V244-R457 VanDerWaalsContact O-CD 3.32Å; V244-R457 WeakPolarHBondContact O-CD 3.49Å; V244-R457 PolarHBondContact O-NE 2.8Å; V244-R457 PolarHBondContact O-NH1 3.14Å; V244-R457 VanDerWaalsContact O-NH1 3.08Å; V244-Y470 HydrophobicContact CG1-CE1 4.11Å
245L98.5Very high98.2Very high32 Ų3235 Ų3517%0.16819%0.186CC..  trans-100.9-31.1-170.7-72.4179.1000115.3N242 C247 V285 Y287 H361N242-L245 WeakPolarHBondContact ND2-CD1 3.14Å; L245-C247 PolarHBondContact O-N 2.65Å; L245-C247 PolarHBondContact O-SG 2.92Å; L245-V285 HydrophobicContact CB-CG1 3.92Å; L245-V285 HydrophobicContact CD1-CG1 4.37Å; L245-Y287 HydrophobicContact CD1-CD1 4.15Å; L245-Y287 HydrophobicContact CD1-CE1 3.3Å; L245-H361 HydrophobicContact CD1-CB 4.22Å
246I98.7Very high98.1Very high0 Ų034.2 Ų34.20%018%0.183CC..  trans-63.4132.9-176.8-175.1169.4000111.2F237 L238 F283 V285 L313 I321 R457 M459F237-I246 HydrophobicContact CB-CB 4.03Å; F237-I246 HydrophobicContact CB-CD1 4.11Å; F237-I246 HydrophobicContact CB-CG2 4.04Å; F237-I246 VanDerWaalsContact O-CG2 3.25Å; F237-I246 WeakPolarHBondContact O-CG2 3.41Å; L238-I246 HydrophobicContact CD2-CD1 4.39Å; L238-I246 HydrophobicContact CD2-CG2 3.91Å; I246-F283 HydrophobicContact CD1-CB 3.89Å; I246-F283 HydrophobicContact CD1-CD1 4.42Å; I246-F283 HydrophobicContact CD1-CG 4.26Å; I246-F283 HydrophobicContact CG1-CB 3.92Å; I246-F283 HydrophobicContact CG1-CD1 4.34Å; I246-F283 HydrophobicContact CG1-CG 4.46Å; I246-V285 HydrophobicContact CB-CG2 3.92Å; I246-V285 HydrophobicContact CG1-CG2 4.23Å; I246-L313 HydrophobicContact CD1-CD1 4.33Å; I246-I321 HydrophobicContact CD1-CG2 4.09Å; I246-R457 PolarHBondContact O-NH1 2.73Å; I246-M459 HydrophobicContact CB-CE 4.47Å; I246-M459 HydrophobicContact CD1-CE 4.27Å; I246-M459 HydrophobicContact CG1-CE 3.98Å; I246-M459 HydrophobicContact CG2-CE 3.9Å; I246-M459 WeakPolarHBondContact O-CG 3.49Å
247C98.2Very high98.1Very high39 Ų3937.3 Ų37.326%0.26420%0.203SC..EExtended strand (participates in β ladder)trans-126.9149.8179.5-61.70000110L245 C249 F283 I284 R457L245-C247 PolarHBondContact O-N 2.65Å; L245-C247 PolarHBondContact O-SG 2.92Å; C247-C249 PolarHBondContact O-N 3.47Å; C247-F283 CarbonylContact O-C 3.6Å; C247-F283 WeakPolarHBondContact O-CA 3.28Å; C247-F283 WeakPolarHBondContact O-CB 3.49Å; C247-I284 PolarHBondContact N-O 3.26Å; C247-I284 PolarHBondContact O-N 3.09Å; C247-R457 WeakPolarHBondContact CA-O 3.33Å; C247-R457 HydrophobicContact CB-CB 4.29Å; C247-R457 WeakPolarHBondContact SG-CG 3.19Å
248K98.3Very high98.1Very high48 Ų4837.7 Ų37.721%0.20921%0.205CC..EExtended strand (participates in β ladder)trans-65.3129.4166.4-177.3177.1-76.3-177.20108.6F283 R457 M459 E464K248-F283 HydrophobicContact CB-CD1 4.29Å; K248-F283 HydrophobicContact CB-CE1 4.17Å; K248-R457 PolarHBondContact N-O 3.18Å; K248-M459 HydrophobicContact CB-SD 4.39Å; K248-E464 WeakPolarHBondContact CE-OE2 3.48Å; K248-E464 IonicContact NZ-OE1 3.13Å; K248-E464 PolarHBondContact NZ-OE1 2.83Å; K248-E464 IonicContact NZ-OE2 2.68Å; K248-E464 PolarHBondContact NZ-OE2 2.74Å
249C98.4Very high98.1Very high3 Ų340.2 Ų40.22%0.0222%0.221CC..  trans-86.9112.3178.2-172.50000108.6C247 E251 I282 I284C247-C249 PolarHBondContact O-N 3.47Å; C249-E251 PolarHBondContact SG-O 3.48Å; C249-I282 HydrophobicContact CB-CB 4.26Å; C249-I282 HydrophobicContact CB-CG2 3.81Å; C249-I282 WeakPolarHBondContact CB-O 3.49Å; C249-I282 PolarHBondContact N-O 2.79Å; C249-I284 HydrophobicContact CB-CB 4.26Å; C249-I284 HydrophobicContact CB-CG2 4.12Å
250T97.4Very high98.1Very high123 Ų12342 Ų4276%0.75523%0.23SC*.SBendtrans-93.1-21.917553.30000112.7I277T250-I277 VanDerWaalsContact C-CG2 3.49Å; T250-I277 WeakPolarHBondContact O-CG2 3.47Å
251E97.3Very high98.1Very high153 Ų15348.5 Ų48.572%0.71526%0.261SS*.SBendtrans-156.6144178.9-176.8168.8-161.700108.4C249C249-E251 PolarHBondContact SG-O 3.48Å
252L97.5Very high98.2Very high37 Ų3750.7 Ų50.719%0.19427%0.271CS..  trans-76135175.6-72170.2000109.8V258 L273 I277 L312L252-V258 HydrophobicContact CD1-CB 4.44Å; L252-L273 HydrophobicContact CD1-CD2 3.8Å; L252-L273 HydrophobicContact CD1-CG 4.4Å; L252-I277 HydrophobicContact CD1-CD1 4.03Å; L252-I277 HydrophobicContact CD2-CD1 4.31Å; L252-I277 HydrophobicContact CG-CD1 3.71Å; L252-L312 HydrophobicContact CD2-CD1 3.6Å; L252-L312 HydrophobicContact CD2-CD2 4Å; L252-L312 HydrophobicContact CD2-CG 4.48Å
253P97.4Very high98.1Very high37 Ų3750.6 Ų50.624%0.2427%0.271CS..  trans-61.2138.5170.7-20.632.2000111.3K255 F256 I284P253-K255 HydrophobicContact CB-CG 3.78Å; P253-K255 PolarHBondContact O-N 2.98Å; P253-K255 VanDerWaalsContact O-N 3.12Å; P253-F256 HydrophobicContact CB-CB 4.43Å; P253-F256 CarbonylContact O-C 3.54Å; P253-F256 WeakPolarHBondContact O-CA 3.5Å; P253-F256 PolarHBondContact O-N 3.38Å; P253-I284 HydrophobicContact CG-CD1 3.8Å
254D97.1Very high98.1Very high158 Ų15853.2 Ų53.285%0.84529%0.289SS*.THydrogen-bonded Turntrans-54.9-33.6176.4-67.8-25000112.6F256D254-F256 PolarHBondContact O-N 3.42Å
255K97.8Very high98Very high61 Ų6157.3 Ų57.327%0.26531%0.314SS..THydrogen-bonded Turntrans-70.1-2.9175.860.4173.7-179.8175.50114.4P253 D286 M310 Q327 Q330P253-K255 HydrophobicContact CB-CG 3.78Å; P253-K255 PolarHBondContact O-N 2.98Å; P253-K255 VanDerWaalsContact O-N 3.12Å; K255-D286 WeakPolarHBondContact CE-OD2 3.33Å; K255-D286 IonicContact NZ-OD1 2.73Å; K255-D286 IonicContact NZ-OD2 2.64Å; K255-D286 PolarHBondContact NZ-OD2 3Å; K255-M310 HydrophobicContact CB-CE 4.39Å; K255-M310 HydrophobicContact CD-CE 4.16Å; K255-M310 HydrophobicContact CD-SD 3.95Å; K255-M310 VanDerWaalsContact CE-SD 3.58Å; K255-M310 HydrophobicContact CG-CE 3.94Å; K255-M310 HydrophobicContact CG-SD 3.89Å; K255-M310 WeakPolarHBondContact O-CE 3.48Å; K255-Q327 PolarHBondContact O-NE2 3.27Å; K255-Q330 WeakPolarHBondContact CB-O 3.45Å
256F98.4Very high98Very high1 Ų157 Ų570%0.00432%0.315CS..SBendtrans-131.174.6179.6-164.6-164.8000111.2P253 D254 V258 I284 M310 L312 A325 Q327 I337P253-F256 HydrophobicContact CB-CB 4.43Å; P253-F256 CarbonylContact O-C 3.54Å; P253-F256 WeakPolarHBondContact O-CA 3.5Å; P253-F256 PolarHBondContact O-N 3.38Å; D254-F256 PolarHBondContact O-N 3.42Å; F256-V258 HydrophobicContact CD1-CG2 4.25Å; F256-V258 HydrophobicContact CD2-CG2 3.58Å; F256-V258 HydrophobicContact CE1-CG2 4.11Å; F256-V258 HydrophobicContact CE2-CG2 3.38Å; F256-V258 HydrophobicContact CG-CG2 4.02Å; F256-V258 HydrophobicContact CZ-CG2 3.68Å; F256-V258 PolarHBondContact O-N 3.2Å; F256-I284 HydrophobicContact CD1-CD1 4.09Å; F256-I284 HydrophobicContact CE1-CD1 4.49Å; F256-M310 HydrophobicContact CB-CE 3.79Å; F256-M310 HydrophobicContact CB-SD 3.8Å; F256-M310 HydrophobicContact CD1-CB 3.68Å; F256-M310 HydrophobicContact CD1-SD 4.27Å; F256-M310 HydrophobicContact CE1-CB 3.72Å; F256-M310 HydrophobicContact CG-CB 4.1Å; F256-M310 HydrophobicContact CG-CE 4.15Å; F256-M310 HydrophobicContact CG-SD 4.18Å; F256-M310 HydrophobicContact CZ-CB 4.19Å; F256-L312 HydrophobicContact CE1-CB 3.84Å; F256-L312 HydrophobicContact CZ-CB 4.15Å; F256-A325 HydrophobicContact CE2-CB 4.5Å; F256-A325 HydrophobicContact CZ-CB 4.09Å; F256-Q327 HydrophobicContact CD2-CB 3.77Å; F256-Q327 HydrophobicContact CE2-CB 3.57Å; F256-Q327 HydrophobicContact CZ-CB 4.44Å; F256-I337 HydrophobicContact CD2-CD1 4.16Å; F256-I337 HydrophobicContact CD2-CG1 4.32Å; F256-I337 HydrophobicContact CE2-CD1 4.28Å; F256-I337 HydrophobicContact CE2-CG1 4.14Å; F256-I337 HydrophobicContact CE2-CG2 4.18Å
257P98.1Very high98Very high67 Ų6758 Ų5844%0.43532%0.32SS..  trans-77.658.1-169.833.8-38.2000112.9T259 P332 I337P257-T259 PolarHBondContact O-N 2.59Å; P257-P332 HydrophobicContact CG-CB 3.8Å; P257-I337 HydrophobicContact CG-CD1 4.12Å
258V98.6Very high98Very high8 Ų860 Ų605%0.04833%0.325CS..  trans-71.7125.1173.8-1760000109.2L252 F256 V263 L273 L312 A325 I337L252-V258 HydrophobicContact CD1-CB 4.44Å; F256-V258 HydrophobicContact CD1-CG2 4.25Å; F256-V258 HydrophobicContact CD2-CG2 3.58Å; F256-V258 HydrophobicContact CE1-CG2 4.11Å; F256-V258 HydrophobicContact CE2-CG2 3.38Å; F256-V258 HydrophobicContact CG-CG2 4.02Å; F256-V258 HydrophobicContact CZ-CG2 3.68Å; F256-V258 PolarHBondContact O-N 3.2Å; V258-V263 HydrophobicContact CG1-CG1 3.53Å; V258-V263 HydrophobicContact CG1-CG2 4.45Å; V258-L273 HydrophobicContact CB-CD2 4.37Å; V258-L273 HydrophobicContact CG1-CD2 3.91Å; V258-L312 HydrophobicContact CB-CD2 4.33Å; V258-L312 HydrophobicContact CG1-CD2 4.03Å; V258-L312 HydrophobicContact CG2-CD2 4.32Å; V258-A325 HydrophobicContact CG1-CB 4.07Å; V258-A325 HydrophobicContact CG2-CB 3.87Å; V258-I337 HydrophobicContact CG2-CD1 4.17Å; V258-I337 HydrophobicContact CG2-CG2 4.4Å
259T98.5Very high98Very high56 Ų5660.6 Ų60.634%0.34433%0.326SS..  trans-99.7160.8177.384.90000112.1P257 E261 M262P257-T259 PolarHBondContact O-N 2.59Å; T259-E261 VanDerWaalsContact C-N 3.27Å; T259-E261 VanDerWaalsContact CB-OE2 3.23Å; T259-E261 WeakPolarHBondContact CB-OE2 3.37Å; T259-E261 PolarHBondContact O-N 2.69Å; T259-E261 PolarHBondContact OG1-N 2.84Å; T259-E261 PolarHBondContact OG1-OE2 3.11Å; T259-M262 HydrophobicContact CG2-SD 4.09Å; T259-M262 PolarHBondContact N-SD 3.1Å; T259-M262 VanDerWaalsContact N-SD 3.43Å; T259-M262 WeakPolarHBondContact O-CB 3.38Å; T259-M262 PolarHBondContact O-N 2.92Å; T259-M262 WeakPolarHBondContact OG1-CG 3.31Å; T259-M262 PolarHBondContact OG1-N 3.34Å
260N98.3Very high97.8Very high38 Ų3868.5 Ų68.520%0.20337%0.368CS..Hα-helixtrans-56.1-41.5173.2177.172000112.2M262 V263 S264 T272 L273N260-M262 VanDerWaalsContact C-N 3.26Å; N260-M262 PolarHBondContact O-N 2.8Å; N260-V263 PolarHBondContact O-N 3.23Å; N260-S264 WeakPolarHBondContact O-CA 3.3Å; N260-S264 VanDerWaalsContact O-CB 3.25Å; N260-S264 WeakPolarHBondContact O-CB 3.08Å; N260-S264 PolarHBondContact O-N 3.45Å; N260-T272 WeakPolarHBondContact OD1-CA 3.48Å; N260-T272 WeakPolarHBondContact OD1-CB 3.25Å; N260-L273 HydrophobicContact CB-CB 4.22Å; N260-L273 PolarHBondContact OD1-N 3.39Å
261E98.3Very high97.8Very high137 Ų13765.5 Ų65.564%0.6435%0.347SS*.Hα-helixtrans-59-40-179.8-62.869.3-148.600111.4T259 V263 S264T259-E261 VanDerWaalsContact C-N 3.27Å; T259-E261 VanDerWaalsContact CB-OE2 3.23Å; T259-E261 WeakPolarHBondContact CB-OE2 3.37Å; T259-E261 PolarHBondContact O-N 2.69Å; T259-E261 PolarHBondContact OG1-N 2.84Å; T259-E261 PolarHBondContact OG1-OE2 3.11Å; E261-V263 VanDerWaalsContact C-N 3.33Å; E261-V263 PolarHBondContact O-N 3.13Å; E261-S264 PolarHBondContact O-OG 3.18Å
262M98.5Very high97.9Very high48 Ų4860.5 Ų60.524%0.23633%0.327CS..Hα-helixtrans-63.4-37.7-178.8-66.1170.568.900112.7T259 N260 I337 L339T259-M262 HydrophobicContact CG2-SD 4.09Å; T259-M262 PolarHBondContact N-SD 3.1Å; T259-M262 VanDerWaalsContact N-SD 3.43Å; T259-M262 WeakPolarHBondContact O-CB 3.38Å; T259-M262 PolarHBondContact O-N 2.92Å; T259-M262 WeakPolarHBondContact OG1-CG 3.31Å; T259-M262 PolarHBondContact OG1-N 3.34Å; N260-M262 VanDerWaalsContact C-N 3.26Å; N260-M262 PolarHBondContact O-N 2.8Å; M262-I337 HydrophobicContact CE-CB 3.5Å; M262-I337 HydrophobicContact CE-CD1 3.8Å; M262-I337 HydrophobicContact CE-CG1 4.23Å; M262-I337 HydrophobicContact CE-CG2 3.38Å; M262-L339 HydrophobicContact CB-CD1 3.95Å; M262-L339 HydrophobicContact CB-CD2 4.17Å; M262-L339 HydrophobicContact CE-CD1 4.36Å; M262-L339 HydrophobicContact CE-CD2 4.22Å; M262-L339 HydrophobicContact CG-CD1 4.44Å; M262-L339 WeakPolarHBondContact O-CD1 3.31Å
263V98.5Very high98Very high0 Ų058.7 Ų58.70%032%0.318CS..Hα-helixtrans-112.6-4.7-170.8-58.50000114.3V258 N260 E261 V265 S266 L267 L273 I324 A325 L339V258-V263 HydrophobicContact CG1-CG1 3.53Å; V258-V263 HydrophobicContact CG1-CG2 4.45Å; N260-V263 PolarHBondContact O-N 3.23Å; E261-V263 VanDerWaalsContact C-N 3.33Å; E261-V263 PolarHBondContact O-N 3.13Å; V263-V265 PolarHBondContact O-N 3.27Å; V263-V265 VanDerWaalsContact O-N 3.08Å; V263-S266 WeakPolarHBondContact O-CA 3.4Å; V263-S266 WeakPolarHBondContact O-CB 3.39Å; V263-S266 PolarHBondContact O-N 2.91Å; V263-L267 HydrophobicContact CG2-CD1 4.41Å; V263-L267 PolarHBondContact O-N 3.45Å; V263-L273 HydrophobicContact CG2-CB 4.15Å; V263-L273 HydrophobicContact CG2-CD1 4.02Å; V263-L273 HydrophobicContact CG2-CD2 3.85Å; V263-L273 HydrophobicContact CG2-CG 4.23Å; V263-I324 HydrophobicContact CB-CD1 4.11Å; V263-I324 HydrophobicContact CG1-CB 4.38Å; V263-I324 HydrophobicContact CG1-CD1 4.15Å; V263-I324 HydrophobicContact CG1-CG1 4.39Å; V263-I324 HydrophobicContact CG2-CD1 4.38Å; V263-A325 HydrophobicContact CG1-CB 4.26Å; V263-L339 HydrophobicContact CG1-CD2 4.23Å
264S97.4Very high98Very high55 Ų5561.4 Ų61.439%0.38533%0.327SS..G310 helixtrans-49.1-39.1-177.756.90000113.7N260 E261 S266 L267N260-S264 WeakPolarHBondContact O-CA 3.3Å; N260-S264 VanDerWaalsContact O-CB 3.25Å; N260-S264 WeakPolarHBondContact O-CB 3.08Å; N260-S264 PolarHBondContact O-N 3.45Å; E261-S264 PolarHBondContact O-OG 3.18Å; S264-S266 PolarHBondContact O-N 3.1Å; S264-L267 PolarHBondContact O-N 3.48Å
265V97.2Very high98.1Very high102 Ų10258.2 Ų58.262%0.61831%0.307SS*.G310 helixtrans-66.2-19.8177.5-630000114.5V263 T341V263-V265 PolarHBondContact O-N 3.27Å; V263-V265 VanDerWaalsContact O-N 3.08Å; V265-T341 HydrophobicContact CG2-CG2 3.66Å
266S97.9Very high98.1Very high27 Ų2755.3 Ų55.319%0.18930%0.295CS..G310 helixtrans-94.8-11.8178.6-56.90000112.7V263 S264 Y314 I324V263-S266 WeakPolarHBondContact O-CA 3.4Å; V263-S266 WeakPolarHBondContact O-CB 3.39Å; V263-S266 PolarHBondContact O-N 2.91Å; S264-S266 PolarHBondContact O-N 3.1Å; S266-Y314 WeakPolarHBondContact O-CD1 3.2Å; S266-Y314 WeakPolarHBondContact O-CE1 3.32Å; S266-I324 VanDerWaalsContact CB-CG2 3.48Å
267L98.3Very high98.1Very high20 Ų2056.1 Ų56.111%0.10530%0.299CS..  trans-88.5133.9-179.7-53.6-178.2000109.9V263 S264 L271 E276 I282 Y314 I324V263-L267 HydrophobicContact CG2-CD1 4.41Å; V263-L267 PolarHBondContact O-N 3.45Å; S264-L267 PolarHBondContact O-N 3.48Å; L267-L271 WeakPolarHBondContact CD1-O 3.39Å; L267-E276 HydrophobicContact CD1-CG 4.16Å; L267-E276 HydrophobicContact CD2-CG 4.18Å; L267-I282 HydrophobicContact CD2-CD1 4.42Å; L267-Y314 HydrophobicContact CD2-CD2 4.01Å; L267-Y314 HydrophobicContact CD2-CE2 4.02Å; L267-Y314 HydrophobicContact CD2-CG 4.26Å; L267-I324 HydrophobicContact CD2-CD1 4.48Å
268E98.1Very high98.1Very high80 Ų8061.7 Ų61.737%0.37432%0.316SS..SBendtrans-1081.6-170.5-67.2179.5-177.900113.7Y314 N316 L317E268-Y314 HydrophobicContact CB-CE1 4.2Å; E268-Y314 HydrophobicContact CG-CE1 4.12Å; E268-Y314 PolarHBondContact N-OH 2.85Å; E268-N316 WeakPolarHBondContact OE1-CB 3.37Å; E268-N316 PolarHBondContact OE1-ND2 3.1Å; E268-N316 VanDerWaalsContact OE1-ND2 3.17Å; E268-N316 WeakPolarHBondContact OE2-CB 3.4Å; E268-L317 HydrophobicContact CB-CD1 3.95Å; E268-L317 HydrophobicContact CB-CG 3.88Å; E268-L317 VanDerWaalsContact OE2-CB 3.31Å; E268-L317 WeakPolarHBondContact OE2-CB 3.41Å; E268-L317 WeakPolarHBondContact OE2-CG 3.34Å; E268-L317 PolarHBondContact OE2-N 2.82Å
269R97.8Very high98Very high61 Ų6163.7 Ų63.723%0.2333%0.333CS..SBendtrans-115.510.3-169.7-62.9-175.4-179.3856115.6L271 E276 N281 Y314 R315 N316 L317R269-L271 HydrophobicContact CB-CB 4.5Å; R269-L271 HydrophobicContact CB-CD1 4.12Å; R269-L271 HydrophobicContact CB-CG 4.01Å; R269-L271 PolarHBondContact O-N 2.9Å; R269-E276 WeakPolarHBondContact CB-OE1 3.23Å; R269-E276 IonicContact NH1-OE1 3.16Å; R269-E276 IonicContact NH1-OE2 2.72Å; R269-N281 PolarHBondContact NH1-ND2 3.4Å; R269-Y314 PolarHBondContact NH1-OH 3.17Å; R269-R315 PolarHBondContact NH1-O 2.85Å; R269-R315 PolarHBondContact NH2-O 2.98Å; R269-N316 PolarHBondContact NH2-O 3.49Å; R269-N316 VanDerWaalsContact NH2-O 3.1Å; R269-L317 HydrophobicContact CG-CD2 3.83Å
270D95.4Very high98Very high169 Ų16961.4 Ų61.490%0.90432%0.321SS*.SBendtrans5432.3-172.9-58.2-40.3000113.1
271L98.3Very high98Very high61 Ų6159.9 Ų59.932%0.31931%0.313SS..  trans-108.3148.7176.1-66.4-176.9000109.6L267 R269 Q275 E276L267-L271 WeakPolarHBondContact CD1-O 3.39Å; R269-L271 HydrophobicContact CB-CB 4.5Å; R269-L271 HydrophobicContact CB-CD1 4.12Å; R269-L271 HydrophobicContact CB-CG 4.01Å; R269-L271 PolarHBondContact O-N 2.9Å; L271-Q275 HydrophobicContact CB-CB 3.9Å; L271-Q275 HydrophobicContact CD2-CB 4.22Å; L271-Q275 HydrophobicContact CG-CB 4.42Å; L271-E276 HydrophobicContact CB-CG 3.79Å; L271-E276 HydrophobicContact CD1-CG 4.41Å
272T98.4Very high98Very high47 Ų4753.4 Ų53.429%0.28828%0.283SS..  trans-69.9163168.678.20000111N260 E274 Q275 E276N260-T272 WeakPolarHBondContact OD1-CA 3.48Å; N260-T272 WeakPolarHBondContact OD1-CB 3.25Å; T272-E274 VanDerWaalsContact C-N 3.26Å; T272-E274 VanDerWaalsContact CB-OE2 3.26Å; T272-E274 WeakPolarHBondContact CB-OE2 3.43Å; T272-E274 PolarHBondContact O-N 3.42Å; T272-E274 PolarHBondContact OG1-N 3.4Å; T272-E274 PolarHBondContact OG1-OE2 3.34Å; T272-Q275 WeakPolarHBondContact O-CB 3.39Å; T272-Q275 PolarHBondContact O-N 3.03Å; T272-Q275 WeakPolarHBondContact OG1-CG 3.13Å; T272-Q275 PolarHBondContact OG1-N 3.11Å; T272-E276 PolarHBondContact O-N 2.86Å
273L98.6Very high98Very high0 Ų051.1 Ų51.10%027%0.271CS..Hα-helixtrans-52.6-44.2174.5178.255.1000112.2L252 V258 N260 V263 Q275 E276 I277 I282 L312L252-L273 HydrophobicContact CD1-CD2 3.8Å; L252-L273 HydrophobicContact CD1-CG 4.4Å; V258-L273 HydrophobicContact CB-CD2 4.37Å; V258-L273 HydrophobicContact CG1-CD2 3.91Å; N260-L273 HydrophobicContact CB-CB 4.22Å; N260-L273 PolarHBondContact OD1-N 3.39Å; V263-L273 HydrophobicContact CG2-CB 4.15Å; V263-L273 HydrophobicContact CG2-CD1 4.02Å; V263-L273 HydrophobicContact CG2-CD2 3.85Å; V263-L273 HydrophobicContact CG2-CG 4.23Å; L273-Q275 VanDerWaalsContact C-N 3.29Å; L273-Q275 PolarHBondContact O-N 3.29Å; L273-E276 PolarHBondContact O-N 3.11Å; L273-I277 HydrophobicContact CD1-CD1 4.32Å; L273-I277 HydrophobicContact CD1-CG1 4.4Å; L273-I277 HydrophobicContact CG-CD1 4.19Å; L273-I277 WeakPolarHBondContact O-CG1 3.44Å; L273-I277 PolarHBondContact O-N 3.17Å; L273-I282 HydrophobicContact CD1-CD1 3.92Å; L273-I282 HydrophobicContact CD1-CG1 4.1Å; L273-L312 HydrophobicContact CD1-CD2 4.26Å
274E98.3Very high98Very high93 Ų9352.1 Ų52.144%0.43528%0.277SS..Hα-helixtrans-65.5-34.3179.1-54.974-160.200111.9T272 K278T272-E274 VanDerWaalsContact C-N 3.26Å; T272-E274 VanDerWaalsContact CB-OE2 3.26Å; T272-E274 WeakPolarHBondContact CB-OE2 3.43Å; T272-E274 PolarHBondContact O-N 3.42Å; T272-E274 PolarHBondContact OG1-N 3.4Å; T272-E274 PolarHBondContact OG1-OE2 3.34Å; E274-K278 VanDerWaalsContact O-CG 3.31Å; E274-K278 WeakPolarHBondContact O-CG 3.27Å; E274-K278 PolarHBondContact O-N 3.4Å; E274-K278 VanDerWaalsContact O-N 3.09Å
275Q98.5Very high98.1Very high92 Ų9249.6 Ų49.643%0.4326%0.259SS..Hα-helixtrans-71.3-38.4174.9-69.9173.7-26.800111.5L271 T272 L273 K278 A279L271-Q275 HydrophobicContact CB-CB 3.9Å; L271-Q275 HydrophobicContact CD2-CB 4.22Å; L271-Q275 HydrophobicContact CG-CB 4.42Å; T272-Q275 WeakPolarHBondContact O-CB 3.39Å; T272-Q275 PolarHBondContact O-N 3.03Å; T272-Q275 WeakPolarHBondContact OG1-CG 3.13Å; T272-Q275 PolarHBondContact OG1-N 3.11Å; L273-Q275 VanDerWaalsContact C-N 3.29Å; L273-Q275 PolarHBondContact O-N 3.29Å; Q275-K278 PolarHBondContact O-N 3.31Å; Q275-A279 VanDerWaalsContact O-CB 3.29Å; Q275-A279 WeakPolarHBondContact O-CB 3.43Å; Q275-A279 PolarHBondContact O-N 3.19Å
276E98.6Very high98.1Very high0 Ų046.9 Ų46.90%024%0.241CC..Hα-helixtrans-67.6-36175.2-70.6-76.6-150.200112.3L267 R269 L271 T272 L273 A279 G280 N281 I282 Y314L267-E276 HydrophobicContact CD1-CG 4.16Å; L267-E276 HydrophobicContact CD2-CG 4.18Å; R269-E276 WeakPolarHBondContact CB-OE1 3.23Å; R269-E276 IonicContact NH1-OE1 3.16Å; R269-E276 IonicContact NH1-OE2 2.72Å; L271-E276 HydrophobicContact CB-CG 3.79Å; L271-E276 HydrophobicContact CD1-CG 4.41Å; T272-E276 PolarHBondContact O-N 2.86Å; L273-E276 PolarHBondContact O-N 3.11Å; E276-A279 PolarHBondContact O-N 2.97Å; E276-G280 PolarHBondContact O-N 3.16Å; E276-N281 HydrophobicContact CB-CB 4.48Å; E276-N281 PolarHBondContact O-N 3.17Å; E276-N281 VanDerWaalsContact OE2-CB 3.26Å; E276-N281 WeakPolarHBondContact OE2-CB 3.44Å; E276-N281 PolarHBondContact OE2-ND2 2.69Å; E276-I282 HydrophobicContact CB-CD1 4.04Å; E276-I282 HydrophobicContact CB-CG1 3.8Å; E276-Y314 VanDerWaalsContact CD-CE2 3.48Å; E276-Y314 HydrophobicContact CG-CE2 4.17Å; E276-Y314 WeakPolarHBondContact OE1-CE2 3.38Å; E276-Y314 VanDerWaalsContact OE1-CZ 3.31Å; E276-Y314 PolarHBondContact OE1-OH 3.4Å
277I98.5Very high98.2Very high18 Ų1845.6 Ų45.69%0.09223%0.232CC..Hα-helixtrans-60.4-52170.5-70.8168.6000110T250 L252 L273 A279 G280 I282T250-I277 VanDerWaalsContact C-CG2 3.49Å; T250-I277 WeakPolarHBondContact O-CG2 3.47Å; L252-I277 HydrophobicContact CD1-CD1 4.03Å; L252-I277 HydrophobicContact CD2-CD1 4.31Å; L252-I277 HydrophobicContact CG-CD1 3.71Å; L273-I277 HydrophobicContact CD1-CD1 4.32Å; L273-I277 HydrophobicContact CD1-CG1 4.4Å; L273-I277 HydrophobicContact CG-CD1 4.19Å; L273-I277 WeakPolarHBondContact O-CG1 3.44Å; L273-I277 PolarHBondContact O-N 3.17Å; I277-A279 PolarHBondContact O-N 2.9Å; I277-G280 PolarHBondContact O-N 3.14Å; I277-I282 HydrophobicContact CG1-CB 3.86Å; I277-I282 HydrophobicContact CG1-CG1 3.81Å; I277-I282 HydrophobicContact CG1-CG2 4.12Å
278K98Very high98.2Very high183 Ų18347.7 Ų47.780%0.79624%0.243SC*.Hα-helixtrans-61.3-33178.2-74.2173.6-177.6175.80112.8E274 Q275 G280E274-K278 VanDerWaalsContact O-CG 3.31Å; E274-K278 WeakPolarHBondContact O-CG 3.27Å; E274-K278 PolarHBondContact O-N 3.4Å; E274-K278 VanDerWaalsContact O-N 3.09Å; Q275-K278 PolarHBondContact O-N 3.31Å; K278-G280 PolarHBondContact O-N 2.99Å
279A97Very high98.1Very high50 Ų5045.4 Ų45.441%0.41323%0.233SC..THydrogen-bonded Turntrans-76.3-4.7175.100000113.4Q275 E276 I277 N281Q275-A279 VanDerWaalsContact O-CB 3.29Å; Q275-A279 WeakPolarHBondContact O-CB 3.43Å; Q275-A279 PolarHBondContact O-N 3.19Å; E276-A279 PolarHBondContact O-N 2.97Å; I277-A279 PolarHBondContact O-N 2.9Å; A279-N281 VanDerWaalsContact C-N 3.34Å
280G97.1Very high98.2Very high8 Ų842.7 Ų42.78%0.08222%0.223CC..THydrogen-bonded Turntrans72.923.8179.700000114.1E276 I277 K278E276-G280 PolarHBondContact O-N 3.16Å; I277-G280 PolarHBondContact O-N 3.14Å; K278-G280 PolarHBondContact O-N 2.99Å
281N98.1Very high98.3Very high7 Ų738.8 Ų38.84%0.03720%0.202CC..  trans-95.1-4.7-179.3-67.3-40.3000113.6R269 E276 A279 Y314 R315R269-N281 PolarHBondContact NH1-ND2 3.4Å; E276-N281 HydrophobicContact CB-CB 4.48Å; E276-N281 PolarHBondContact O-N 3.17Å; E276-N281 VanDerWaalsContact OE2-CB 3.26Å; E276-N281 WeakPolarHBondContact OE2-CB 3.44Å; E276-N281 PolarHBondContact OE2-ND2 2.69Å; A279-N281 VanDerWaalsContact C-N 3.34Å; N281-Y314 HydrophobicContact CB-CD2 4.27Å; N281-Y314 HydrophobicContact CB-CE2 4.01Å; N281-R315 PolarHBondContact O-N 3.42Å; N281-R315 PolarHBondContact OD1-NE 3.37Å; N281-R315 PolarHBondContact OD1-NH2 3.02Å
282I98.8Very high98.3Very high0 Ų039 Ų390%022%0.219CC..EExtended strand (participates in β ladder)trans-107.5138.2-179.2-56.8-68000110.1C249 L267 L273 E276 I277 L312 L313 Y314 I324C249-I282 HydrophobicContact CB-CB 4.26Å; C249-I282 HydrophobicContact CB-CG2 3.81Å; C249-I282 WeakPolarHBondContact CB-O 3.49Å; C249-I282 PolarHBondContact N-O 2.79Å; L267-I282 HydrophobicContact CD2-CD1 4.42Å; L273-I282 HydrophobicContact CD1-CD1 3.92Å; L273-I282 HydrophobicContact CD1-CG1 4.1Å; E276-I282 HydrophobicContact CB-CD1 4.04Å; E276-I282 HydrophobicContact CB-CG1 3.8Å; I277-I282 HydrophobicContact CG1-CB 3.86Å; I277-I282 HydrophobicContact CG1-CG1 3.81Å; I277-I282 HydrophobicContact CG1-CG2 4.12Å; I282-L312 HydrophobicContact CG2-CD1 3.47Å; I282-L312 VanDerWaalsContact CG2-CD1 3.47Å; I282-L312 HydrophobicContact CG2-CD2 4.23Å; I282-L312 HydrophobicContact CG2-CG 3.79Å; I282-L313 WeakPolarHBondContact CA-O 3.3Å; I282-Y314 HydrophobicContact CD1-CD2 3.78Å; I282-I324 HydrophobicContact CD1-CD1 3.98Å
283F98.8Very high98.3Very high0 Ų037.7 Ų37.70%021%0.21CC..EExtended strand (participates in β ladder)trans-129.7156.5-179-59.7-94.1000109.3I246 C247 K248 L313 R315 I321 M459 L465I246-F283 HydrophobicContact CD1-CB 3.89Å; I246-F283 HydrophobicContact CD1-CD1 4.42Å; I246-F283 HydrophobicContact CD1-CG 4.26Å; I246-F283 HydrophobicContact CG1-CB 3.92Å; I246-F283 HydrophobicContact CG1-CD1 4.34Å; I246-F283 HydrophobicContact CG1-CG 4.46Å; C247-F283 CarbonylContact O-C 3.6Å; C247-F283 WeakPolarHBondContact O-CA 3.28Å; C247-F283 WeakPolarHBondContact O-CB 3.49Å; K248-F283 HydrophobicContact CB-CD1 4.29Å; K248-F283 HydrophobicContact CB-CE1 4.17Å; F283-L313 HydrophobicContact CB-CB 4.31Å; F283-L313 PolarHBondContact N-O 2.81Å; F283-L313 PolarHBondContact O-N 2.96Å; F283-R315 HydrophobicContact CE2-CB 3.81Å; F283-I321 HydrophobicContact CD2-CD1 3.8Å; F283-I321 HydrophobicContact CE2-CD1 3.76Å; F283-I321 HydrophobicContact CZ-CD1 4.4Å; F283-M459 HydrophobicContact CD1-CE 3.64Å; F283-M459 HydrophobicContact CD1-SD 3.61Å; F283-M459 HydrophobicContact CE1-CE 3.67Å; F283-M459 HydrophobicContact CE1-SD 3.56Å; F283-M459 VanDerWaalsContact CE1-SD 3.56Å; F283-L465 HydrophobicContact CE1-CD1 3.98Å; F283-L465 HydrophobicContact CE1-CD2 4.32Å; F283-L465 HydrophobicContact CE2-CD2 4.5Å; F283-L465 HydrophobicContact CZ-CD1 4.27Å; F283-L465 HydrophobicContact CZ-CD2 3.89Å; F283-L465 HydrophobicContact CZ-CG 4.36Å
284I98.9Very high98.3Very high22 Ų2242.5 Ų42.511%0.11324%0.235CC..EExtended strand (participates in β ladder)trans-136.6145.7179.7-169.2166.9000110.6C247 C249 P253 F256 C311 L312C247-I284 PolarHBondContact N-O 3.26Å; C247-I284 PolarHBondContact O-N 3.09Å; C249-I284 HydrophobicContact CB-CB 4.26Å; C249-I284 HydrophobicContact CB-CG2 4.12Å; P253-I284 HydrophobicContact CG-CD1 3.8Å; F256-I284 HydrophobicContact CD1-CD1 4.09Å; F256-I284 HydrophobicContact CE1-CD1 4.49Å; I284-C311 WeakPolarHBondContact CA-O 3.37Å; I284-L312 HydrophobicContact CB-CD1 4.43Å
285V98.9Very high98.3Very high1 Ų139.4 Ų39.41%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-123.3119164.5-174.70000107F237 L245 I246 Y287 M310 C311 L313F237-V285 HydrophobicContact CD1-CG2 3.88Å; F237-V285 HydrophobicContact CD2-CG2 4.48Å; F237-V285 HydrophobicContact CE1-CB 4.48Å; F237-V285 HydrophobicContact CE1-CG1 4.21Å; F237-V285 HydrophobicContact CE1-CG2 3.96Å; F237-V285 HydrophobicContact CG-CG2 4.16Å; F237-V285 HydrophobicContact CZ-CG2 4.29Å; L245-V285 HydrophobicContact CB-CG1 3.92Å; L245-V285 HydrophobicContact CD1-CG1 4.37Å; I246-V285 HydrophobicContact CB-CG2 3.92Å; I246-V285 HydrophobicContact CG1-CG2 4.23Å; V285-Y287 HydrophobicContact CB-CE2 4.3Å; V285-Y287 HydrophobicContact CG1-CD2 4.02Å; V285-Y287 HydrophobicContact CG1-CE1 4.43Å; V285-Y287 HydrophobicContact CG1-CE2 3.31Å; V285-M310 WeakPolarHBondContact O-CA 3.41Å; V285-C311 HydrophobicContact CB-CB 4.45Å; V285-C311 PolarHBondContact N-O 3.3Å; V285-C311 PolarHBondContact O-N 3.31Å; V285-L313 HydrophobicContact CG2-CD1 3.89Å
286D98.8Very high98.3Very high46 Ų4635 Ų3525%0.24621%0.205CC..EExtended strand (participates in β ladder)trans-114.6125.2179.1-172.4-0.9000109.6K255 D288 M310 Q330K255-D286 WeakPolarHBondContact CE-OD2 3.33Å; K255-D286 IonicContact NZ-OD1 2.73Å; K255-D286 IonicContact NZ-OD2 2.64Å; K255-D286 PolarHBondContact NZ-OD2 3Å; D286-D288 PolarHBondContact OD1-N 3.35Å; D286-M310 HydrophobicContact CB-CG 4.18Å; D286-M310 VanDerWaalsContact OD1-CG 3.27Å; D286-M310 WeakPolarHBondContact OD1-CG 3.46Å; D286-Q330 PolarHBondContact OD1-NE2 2.77Å
287Y98.8Very high98.2Very high0 Ų039.4 Ų39.40%024%0.236CC..  trans-103.832.6178.3-67.4-84.8000112.4F237 L245 V285 M289 L290 A308 P309 V354 A357 D358 H361F237-Y287 WeakPolarHBondContact CE1-OH 3.44Å; L245-Y287 HydrophobicContact CD1-CD1 4.15Å; L245-Y287 HydrophobicContact CD1-CE1 3.3Å; V285-Y287 HydrophobicContact CB-CE2 4.3Å; V285-Y287 HydrophobicContact CG1-CD2 4.02Å; V285-Y287 HydrophobicContact CG1-CE1 4.43Å; V285-Y287 HydrophobicContact CG1-CE2 3.31Å; Y287-M289 PolarHBondContact O-N 3.45Å; Y287-L290 HydrophobicContact CD1-CD1 4.21Å; Y287-L290 WeakPolarHBondContact O-CB 3.48Å; Y287-L290 PolarHBondContact O-N 2.89Å; Y287-A308 WeakPolarHBondContact O-CB 3.35Å; Y287-P309 WeakPolarHBondContact CB-O 3.4Å; Y287-P309 HydrophobicContact CD2-CG 3.74Å; Y287-P309 WeakPolarHBondContact CD2-O 3.41Å; Y287-P309 HydrophobicContact CE2-CG 4.47Å; Y287-P309 HydrophobicContact CG-CG 4.27Å; Y287-P309 PolarHBondContact N-O 3.31Å; Y287-V354 HydrophobicContact CE2-CG1 3.9Å; Y287-A357 HydrophobicContact CD1-CB 4.03Å; Y287-A357 HydrophobicContact CD2-CB 4.18Å; Y287-A357 HydrophobicContact CE1-CB 4.39Å; Y287-A357 HydrophobicContact CE2-CB 4.49Å; Y287-A357 HydrophobicContact CG-CB 3.93Å; Y287-D358 VanDerWaalsContact CE1-CA 3.49Å; Y287-D358 HydrophobicContact CE1-CB 4.2Å; Y287-D358 WeakPolarHBondContact OH-CA 3.39Å; Y287-D358 WeakPolarHBondContact OH-CB 3.47Å; Y287-D358 VanDerWaalsContact OH-CG 3.26Å; Y287-D358 PolarHBondContact OH-OD1 2.87Å; Y287-H361 HydrophobicContact CD1-CB 4.14Å; Y287-H361 HydrophobicContact CE1-CB 3.98Å
288D98.1Very high98.2Very high63 Ų6342 Ų4234%0.33725%0.253SS..G310 helixtrans-49.4-28.1173.574.5-17.7000114.1D286 L290 D291 K438D286-D288 PolarHBondContact OD1-N 3.35Å; D288-L290 PolarHBondContact O-N 3.23Å; D288-D291 VanDerWaalsContact O-CB 3.24Å; D288-D291 WeakPolarHBondContact O-CB 2.91Å; D288-D291 PolarHBondContact O-N 3.06Å; D288-K438 PolarHBondContact O-NZ 3.49Å
289M97.4Very high98.2Very high33 Ų3334.5 Ų34.516%0.16322%0.221CC..G310 helixtrans-58.9-27.7174.5-74.9-67.217200112.8Y287 I365 L435 K438 T442Y287-M289 PolarHBondContact O-N 3.45Å; M289-I365 HydrophobicContact CB-CD1 4.28Å; M289-L435 HydrophobicContact CB-CD1 4.08Å; M289-L435 VanDerWaalsContact O-CD1 3.23Å; M289-L435 WeakPolarHBondContact O-CD1 3.23Å; M289-K438 WeakPolarHBondContact O-CD 3.33Å; M289-K438 HydrophobicContact SD-CB 4.48Å; M289-K438 HydrophobicContact SD-CD 3.98Å; M289-K438 HydrophobicContact SD-CG 3.86Å; M289-T442 HydrophobicContact CE-CG2 3.69Å
290L98.7Very high98.1Very high4 Ų437.3 Ų37.32%0.02124%0.236CC..G310 helixtrans-85-11.1176.6-61.8176.9000113.3Y287 D288 G292 I293 A307 A308 A357 Q360 L435Y287-L290 HydrophobicContact CD1-CD1 4.21Å; Y287-L290 WeakPolarHBondContact O-CB 3.48Å; Y287-L290 PolarHBondContact O-N 2.89Å; D288-L290 PolarHBondContact O-N 3.23Å; L290-G292 PolarHBondContact O-N 2.69Å; L290-I293 WeakPolarHBondContact O-CB 3.49Å; L290-I293 WeakPolarHBondContact O-CG1 3.39Å; L290-I293 PolarHBondContact O-N 3.1Å; L290-A307 WeakPolarHBondContact CD1-O 3.39Å; L290-A308 HydrophobicContact CB-CB 4.16Å; L290-A357 HydrophobicContact CD1-CB 3.56Å; L290-Q360 HydrophobicContact CD1-CB 4.26Å; L290-Q360 HydrophobicContact CD2-CB 3.94Å; L290-L435 HydrophobicContact CD2-CD1 3.86Å; L290-L435 HydrophobicContact CD2-CD2 3.56Å; L290-L435 HydrophobicContact CD2-CG 4.36Å
291D98.3Very high98.1Very high87 Ų8745.9 Ų45.947%0.46527%0.267SS..THydrogen-bonded Turntrans-67.2132.2178.8-170.547.6000111.2D288 I293 A308 Q330 K438D288-D291 VanDerWaalsContact O-CB 3.24Å; D288-D291 WeakPolarHBondContact O-CB 2.91Å; D288-D291 PolarHBondContact O-N 3.06Å; D291-I293 VanDerWaalsContact C-N 3.25Å; D291-I293 PolarHBondContact O-N 3.31Å; D291-A308 HydrophobicContact CB-CB 3.83Å; D291-Q330 HydrophobicContact CB-CG 3.84Å; D291-K438 PolarHBondContact O-NZ 3.05Å; D291-K438 VanDerWaalsContact O-NZ 3.08Å
292G97.8Very high98.1Very high65 Ų6546 Ų4667%0.6727%0.268SS*.THydrogen-bonded Turntrans72.96-175.200000115.7L290L290-G292 PolarHBondContact O-N 2.69Å
293I98.7Very high98Very high20 Ų2051.1 Ų51.110%0.10329%0.291CS..PPolyproline II helixtrans-77.4134176.3-58.5-59.7000110.3L290 D291 A295 L306 T427 G431 Q434 L435L290-I293 WeakPolarHBondContact O-CB 3.49Å; L290-I293 WeakPolarHBondContact O-CG1 3.39Å; L290-I293 PolarHBondContact O-N 3.1Å; D291-I293 VanDerWaalsContact C-N 3.25Å; D291-I293 PolarHBondContact O-N 3.31Å; I293-A295 PolarHBondContact O-N 2.8Å; I293-L306 HydrophobicContact CB-CD1 4.14Å; I293-L306 HydrophobicContact CG2-CD1 3.79Å; I293-T427 HydrophobicContact CG2-CG2 4.48Å; I293-G431 WeakPolarHBondContact CG2-O 3.05Å; I293-Q434 HydrophobicContact CD1-CB 3.73Å; I293-L435 HydrophobicContact CD1-CB 4.18Å; I293-L435 HydrophobicContact CD1-CD1 4.43Å; I293-L435 HydrophobicContact CG1-CB 4.49Å; I293-L435 HydrophobicContact CG1-CD1 4.3Å
294N98.4Very high98Very high100 Ų10051.1 Ų51.154%0.53529%0.291SS..PPolyproline II helixtrans-69.8128.6178-71.4-23.3000111G431 Q434N294-G431 WeakPolarHBondContact O-CA 3.27Å; N294-Q434 PolarHBondContact ND2-NE2 3.23Å
295A98.6Very high98Very high28 Ų2853.5 Ų53.523%0.23130%0.3CS..PPolyproline II helixtrans-73.9152.9169.800000111.2I293 S297 Q304 L306 A426I293-A295 PolarHBondContact O-N 2.8Å; A295-S297 PolarHBondContact O-N 3.49Å; A295-Q304 VanDerWaalsContact CB-O 3.28Å; A295-Q304 WeakPolarHBondContact CB-O 3.39Å; A295-L306 HydrophobicContact CB-CD1 4.27Å; A295-L306 HydrophobicContact CB-CG 4.1Å; A295-A426 CarbonylContact C-O 3.55Å; A295-A426 WeakPolarHBondContact CA-O 3.41Å
296N98.6Very high98Very high0 Ų054.9 Ų54.90%031%0.307CS..PPolyproline II helixtrans-65.5118.3-176.2-176.7-3.6000112T298 Q304 D422 N425 A426 G428N296-T298 WeakPolarHBondContact OD1-CB 3.36Å; N296-T298 VanDerWaalsContact OD1-CG2 3.29Å; N296-T298 WeakPolarHBondContact OD1-CG2 3.2Å; N296-T298 PolarHBondContact OD1-N 3.3Å; N296-T298 PolarHBondContact OD1-OG1 2.81Å; N296-Q304 VanDerWaalsContact CG-NE2 3.33Å; N296-Q304 PolarHBondContact ND2-NE2 3.08Å; N296-Q304 PolarHBondContact O-NE2 3.4Å; N296-D422 PolarHBondContact ND2-O 2.95Å; N296-N425 WeakPolarHBondContact CB-O 3.47Å; N296-N425 PolarHBondContact ND2-O 3.37Å; N296-A426 WeakPolarHBondContact CB-O 3.4Å; N296-A426 PolarHBondContact N-O 3.38Å; N296-G428 VanDerWaalsContact CA-O 3.3Å; N296-G428 WeakPolarHBondContact CA-O 3.36Å; N296-G428 VanDerWaalsContact CB-O 3.28Å; N296-G428 WeakPolarHBondContact CB-O 3.32Å
297S97.1Very high98Very high92 Ų9253.3 Ų53.364%0.64330%0.3SS*.  trans-113.815.6-179.857.50000113.5A295 D299A295-S297 PolarHBondContact O-N 3.49Å; S297-D299 VanDerWaalsContact C-N 3.27Å; S297-D299 PolarHBondContact O-N 3.42Å
298T97.4Very high98Very high73 Ų7353.5 Ų53.545%0.44830%0.302SS..SBendtrans-69.6-23-178.263.70000113.5N296 D422N296-T298 WeakPolarHBondContact OD1-CB 3.36Å; N296-T298 VanDerWaalsContact OD1-CG2 3.29Å; N296-T298 WeakPolarHBondContact OD1-CG2 3.2Å; N296-T298 PolarHBondContact OD1-N 3.3Å; N296-T298 PolarHBondContact OD1-OG1 2.81Å; T298-D422 HydrophobicContact CG2-CB 4.39Å
299D97.5Very high98.1Very high25 Ų2550.5 Ų50.513%0.13429%0.286CS..  trans-103.6106.8174.1178.93.3000109.9Q199 S297 Y301 T302 R596Q199-D299 PolarHBondContact NE2-OD2 3.36Å; S297-D299 VanDerWaalsContact C-N 3.27Å; S297-D299 PolarHBondContact O-N 3.42Å; D299-Y301 PolarHBondContact O-N 2.94Å; D299-Y301 PolarHBondContact OD1-N 2.94Å; D299-T302 PolarHBondContact O-N 3.02Å; D299-T302 WeakPolarHBondContact OD2-CB 3.39Å; D299-T302 PolarHBondContact OD2-OG1 3.07Å; D299-R596 IonicContact OD2-CZ 3.98Å; D299-R596 IonicContact OD2-NH1 3.39Å; D299-R596 IonicContact OD2-NH2 2.84Å; D299-R596 PolarHBondContact OD2-NH2 3.47Å
300P96.1Very high98.1Very high110 Ų11049 Ų4971%0.71428%0.278SS*.THydrogen-bonded Turntrans-69.8-13.2-176.329.6-35.6000113.4
301Y96.9Very high98.1Very high188 Ų18848.8 Ų48.874%0.73728%0.277SS*.THydrogen-bonded Turntrans-95.5-11.7-179.2-57.1-74000113Q199 D299Q199-Y301 PolarHBondContact OE1-O 3.44Å; D299-Y301 PolarHBondContact O-N 2.94Å; D299-Y301 PolarHBondContact OD1-N 2.94Å
302T97.7Very high98.2Very high9 Ų944.6 Ų44.66%0.05526%0.255CS..SBendtrans-131103.7177.7-60.30000110.2Q199 D299 Q304 R572Q199-T302 VanDerWaalsContact CD-OG1 3.28Å; Q199-T302 PolarHBondContact NE2-OG1 3.39Å; Q199-T302 PolarHBondContact OE1-OG1 3.45Å; D299-T302 PolarHBondContact O-N 3.02Å; D299-T302 WeakPolarHBondContact OD2-CB 3.39Å; D299-T302 PolarHBondContact OD2-OG1 3.07Å; T302-Q304 HydrophobicContact CG2-CG 4.32Å; T302-Q304 PolarHBondContact O-N 3.4Å; T302-R572 HydrophobicContact CG2-CB 4.38Å; T302-R572 HydrophobicContact CG2-CG 3.68Å
303Q97.7Very high98.2Very high107 Ų10741.5 Ų41.550%0.522%0.223SC..  trans-66.2125.7168.1-173.762.846.100109.6Y305 R572Q303-Y305 HydrophobicContact CB-CE2 4.01Å; Q303-Y305 HydrophobicContact CG-CD2 4.31Å; Q303-Y305 HydrophobicContact CG-CE1 4.05Å; Q303-Y305 HydrophobicContact CG-CE2 3.55Å; Q303-Y305 WeakPolarHBondContact CG-OH 3.47Å; Q303-R572 WeakPolarHBondContact O-CA 3.3Å
304Q98.7Very high98.2Very high0 Ų040.6 Ų40.60%022%0.218CC..  trans-106.5156.2173.7-61.5177.682.300110A295 N296 T302 T570 M571A295-Q304 VanDerWaalsContact CB-O 3.28Å; A295-Q304 WeakPolarHBondContact CB-O 3.39Å; N296-Q304 VanDerWaalsContact CG-NE2 3.33Å; N296-Q304 PolarHBondContact ND2-NE2 3.08Å; N296-Q304 PolarHBondContact O-NE2 3.4Å; T302-Q304 HydrophobicContact CG2-CG 4.32Å; T302-Q304 PolarHBondContact O-N 3.4Å; Q304-T570 WeakPolarHBondContact CG-OG1 3.47Å; Q304-T570 VanDerWaalsContact OE1-CB 3.28Å; Q304-T570 PolarHBondContact OE1-OG1 3.5Å; Q304-M571 CarbonylContact C-O 3.53Å; Q304-M571 WeakPolarHBondContact CA-O 3.43Å
305Y98.8Very high98.2Very high73 Ų7337.4 Ų37.429%0.28620%0.199SC..BIsolated β-bridgetrans-136.2149.9-172.5-63.8-90.5000111.1Q303 M571 R572 K573 P574Q303-Y305 HydrophobicContact CB-CE2 4.01Å; Q303-Y305 HydrophobicContact CG-CD2 4.31Å; Q303-Y305 HydrophobicContact CG-CE1 4.05Å; Q303-Y305 HydrophobicContact CG-CE2 3.55Å; Q303-Y305 WeakPolarHBondContact CG-OH 3.47Å; Y305-M571 PolarHBondContact N-O 3.19Å; Y305-R572 WeakPolarHBondContact CE2-O 3.22Å; Y305-K573 WeakPolarHBondContact CD2-O 3.28Å; Y305-P574 HydrophobicContact CD1-CB 3.88Å; Y305-P574 HydrophobicContact CE1-CB 3.77Å; Y305-P574 HydrophobicContact CE1-CG 4.31Å; Y305-P574 HydrophobicContact CG-CB 4.48Å
306L98.8Very high98.1Very high30 Ų3036.6 Ų36.616%0.15719%0.19CC..  trans-120.2160.9172.2-69.5172.1000109.3I293 A295 Q360 A426 T427I293-L306 HydrophobicContact CB-CD1 4.14Å; I293-L306 HydrophobicContact CG2-CD1 3.79Å; A295-L306 HydrophobicContact CB-CD1 4.27Å; A295-L306 HydrophobicContact CB-CG 4.1Å; L306-Q360 HydrophobicContact CD2-CG 3.79Å; L306-A426 HydrophobicContact CD2-CB 3.49Å; L306-A426 VanDerWaalsContact CD2-CB 3.49Å; L306-A426 HydrophobicContact CG-CB 4.14Å; L306-T427 HydrophobicContact CD1-CG2 3.95Å; L306-T427 HydrophobicContact CD2-CG2 3.91Å
307A98.6Very high98Very high12 Ų1241.7 Ų41.710%0.09922%0.217CC..  trans-135.1157172.100000108.7L290 P309 L328 W353 P575L290-A307 WeakPolarHBondContact CD1-O 3.39Å; A307-P309 WeakPolarHBondContact O-CD 3.13Å; A307-L328 WeakPolarHBondContact CB-O 3.35Å; A307-W353 HydrophobicContact CB-CD2 4.23Å; A307-W353 HydrophobicContact CB-CE3 3.43Å; A307-W353 VanDerWaalsContact CB-CE3 3.43Å; A307-W353 HydrophobicContact CB-CZ3 3.81Å; A307-P575 HydrophobicContact CB-CG 4.05Å
308A98.8Very high97.9Very high5 Ų546.8 Ų46.84%0.04122%0.222CC..  trans-124.269.9174.700000108.8Y287 L290 D291 L328 Q330Y287-A308 WeakPolarHBondContact O-CB 3.35Å; L290-A308 HydrophobicContact CB-CB 4.16Å; D291-A308 HydrophobicContact CB-CB 3.83Å; A308-L328 PolarHBondContact N-O 3.49Å; A308-Q330 HydrophobicContact CB-CG 3.87Å; A308-Q330 PolarHBondContact O-NE2 2.77Å
309P98.9Very high97.7Very high0 Ų046 Ų460%022%0.215CC..  trans-75.2157.4-170.327.6-33.2000113.5Y287 A307 Q327 L328 V354 A357Y287-P309 WeakPolarHBondContact CB-O 3.4Å; Y287-P309 HydrophobicContact CD2-CG 3.74Å; Y287-P309 WeakPolarHBondContact CD2-O 3.41Å; Y287-P309 HydrophobicContact CE2-CG 4.47Å; Y287-P309 HydrophobicContact CG-CG 4.27Å; Y287-P309 PolarHBondContact N-O 3.31Å; A307-P309 WeakPolarHBondContact O-CD 3.13Å; P309-Q327 CarbonylContact C-O 3.13Å; P309-Q327 WeakPolarHBondContact CA-O 3.36Å; P309-Q327 WeakPolarHBondContact CB-O 3.4Å; P309-L328 HydrophobicContact CB-CD2 4.19Å; P309-V354 HydrophobicContact CB-CG2 3.86Å; P309-V354 HydrophobicContact CG-CB 4.43Å; P309-V354 HydrophobicContact CG-CG2 4Å; P309-A357 HydrophobicContact CG-CB 3.57Å
310M98.8Very high97.7Very high0 Ų048.2 Ų48.20%022%0.224CC..EExtended strand (participates in β ladder)trans-113.6132.9161-70.8174.8-72.800109K255 F256 V285 D286 I326 Q327K255-M310 HydrophobicContact CB-CE 4.39Å; K255-M310 HydrophobicContact CD-CE 4.16Å; K255-M310 HydrophobicContact CD-SD 3.95Å; K255-M310 VanDerWaalsContact CE-SD 3.58Å; K255-M310 HydrophobicContact CG-CE 3.94Å; K255-M310 HydrophobicContact CG-SD 3.89Å; K255-M310 WeakPolarHBondContact O-CE 3.48Å; F256-M310 HydrophobicContact CB-CE 3.79Å; F256-M310 HydrophobicContact CB-SD 3.8Å; F256-M310 HydrophobicContact CD1-CB 3.68Å; F256-M310 HydrophobicContact CD1-SD 4.27Å; F256-M310 HydrophobicContact CE1-CB 3.72Å; F256-M310 HydrophobicContact CG-CB 4.1Å; F256-M310 HydrophobicContact CG-CE 4.15Å; F256-M310 HydrophobicContact CG-SD 4.18Å; F256-M310 HydrophobicContact CZ-CB 4.19Å; V285-M310 WeakPolarHBondContact O-CA 3.41Å; D286-M310 HydrophobicContact CB-CG 4.18Å; D286-M310 VanDerWaalsContact OD1-CG 3.27Å; D286-M310 WeakPolarHBondContact OD1-CG 3.46Å; M310-I326 WeakPolarHBondContact O-CA 3.26Å; M310-Q327 VanDerWaalsContact CE-NE2 3.32Å; M310-Q327 PolarHBondContact N-O 2.92Å; M310-Q327 PolarHBondContact O-N 3.03Å
311C98.9Very high97.7Very high0 Ų043.2 Ų43.20%019%0.191CC..EExtended strand (participates in β ladder)trans-123.3119179.9-176.20000110I284 V285 L313 I326 V354I284-C311 WeakPolarHBondContact CA-O 3.37Å; V285-C311 HydrophobicContact CB-CB 4.45Å; V285-C311 PolarHBondContact N-O 3.3Å; V285-C311 PolarHBondContact O-N 3.31Å; C311-L313 WeakPolarHBondContact O-CD1 3.39Å; C311-I326 HydrophobicContact CB-CG1 4.32Å; C311-V354 HydrophobicContact CB-CG1 4.33Å; C311-V354 HydrophobicContact CB-CG2 4.41Å
312L98.9Very high97.8Very high0 Ų036 Ų360%017%0.165CC..EExtended strand (participates in β ladder)trans-93.1131.5173.8-16070.3000109.4L252 F256 V258 L273 I282 I284 I324 A325L252-L312 HydrophobicContact CD2-CD1 3.6Å; L252-L312 HydrophobicContact CD2-CD2 4Å; L252-L312 HydrophobicContact CD2-CG 4.48Å; F256-L312 HydrophobicContact CE1-CB 3.84Å; F256-L312 HydrophobicContact CZ-CB 4.15Å; V258-L312 HydrophobicContact CB-CD2 4.33Å; V258-L312 HydrophobicContact CG1-CD2 4.03Å; V258-L312 HydrophobicContact CG2-CD2 4.32Å; L273-L312 HydrophobicContact CD1-CD2 4.26Å; I282-L312 HydrophobicContact CG2-CD1 3.47Å; I282-L312 VanDerWaalsContact CG2-CD1 3.47Å; I282-L312 HydrophobicContact CG2-CD2 4.23Å; I282-L312 HydrophobicContact CG2-CG 3.79Å; I284-L312 HydrophobicContact CB-CD1 4.43Å; L312-I324 HydrophobicContact CB-CG1 4.13Å; L312-I324 HydrophobicContact CD2-CD1 3.81Å; L312-I324 HydrophobicContact CD2-CG1 4.13Å; L312-I324 HydrophobicContact CG-CD1 4.13Å; L312-I324 HydrophobicContact CG-CG1 4.13Å; L312-I324 WeakPolarHBondContact O-CG1 3.46Å; L312-I324 PolarHBondContact O-N 3.03Å; L312-A325 HydrophobicContact CB-CB 4.08Å; L312-A325 PolarHBondContact N-O 3.19Å; L312-A325 PolarHBondContact O-N 3.37Å
313L98.9Very high97.9Very high0 Ų035.7 Ų35.70%016%0.163CC..EExtended strand (participates in β ladder)trans-126.2151.5-178.8-48.798.9000111.7F237 I246 I282 F283 V285 C311 I321 L322F237-L313 HydrophobicContact CD2-CD2 3.66Å; F237-L313 HydrophobicContact CE2-CD2 3.81Å; I246-L313 HydrophobicContact CD1-CD1 4.33Å; I282-L313 WeakPolarHBondContact CA-O 3.3Å; F283-L313 HydrophobicContact CB-CB 4.31Å; F283-L313 PolarHBondContact N-O 2.81Å; F283-L313 PolarHBondContact O-N 2.96Å; V285-L313 HydrophobicContact CG2-CD1 3.89Å; C311-L313 WeakPolarHBondContact O-CD1 3.39Å; L313-I321 HydrophobicContact CB-CG2 3.59Å; L313-I321 HydrophobicContact CD2-CG2 3.53Å; L313-I321 HydrophobicContact CG-CG2 4.15Å; L313-L322 CarbonylContact C-O 3.58Å; L313-L322 WeakPolarHBondContact CA-O 3.28Å
314Y98.8Very high97.9Very high0 Ų030.7 Ų30.70%014%0.14CC..EExtended strand (participates in β ladder)trans-121.4135.2-177.9175.3-123.9000111.3S266 L267 E268 R269 E276 N281 I282 N316 I321 L322S266-Y314 WeakPolarHBondContact O-CD1 3.2Å; S266-Y314 WeakPolarHBondContact O-CE1 3.32Å; L267-Y314 HydrophobicContact CD2-CD2 4.01Å; L267-Y314 HydrophobicContact CD2-CE2 4.02Å; L267-Y314 HydrophobicContact CD2-CG 4.26Å; E268-Y314 HydrophobicContact CB-CE1 4.2Å; E268-Y314 HydrophobicContact CG-CE1 4.12Å; E268-Y314 PolarHBondContact N-OH 2.85Å; R269-Y314 PolarHBondContact NH1-OH 3.17Å; E276-Y314 VanDerWaalsContact CD-CE2 3.48Å; E276-Y314 HydrophobicContact CG-CE2 4.17Å; E276-Y314 WeakPolarHBondContact OE1-CE2 3.38Å; E276-Y314 VanDerWaalsContact OE1-CZ 3.31Å; E276-Y314 PolarHBondContact OE1-OH 3.4Å; N281-Y314 HydrophobicContact CB-CD2 4.27Å; N281-Y314 HydrophobicContact CB-CE2 4.01Å; I282-Y314 HydrophobicContact CD1-CD2 3.78Å; Y314-N316 HydrophobicContact CD1-CB 4.13Å; Y314-N316 HydrophobicContact CE1-CB 4.02Å; Y314-I321 CarbonylContact O-C 3.58Å; Y314-I321 WeakPolarHBondContact O-CA 3.36Å; Y314-L322 PolarHBondContact N-O 3.45Å; Y314-L322 PolarHBondContact O-N 3.44Å
315R98Very high97.9Very high34 Ų3430.7 Ų30.713%0.12814%0.14CC..EExtended strand (participates in β ladder)trans-87106.8167.8-176.3-177.668.6141.6-1.6110.1R269 N281 F283 N319 K320 I321 E464R269-R315 PolarHBondContact NH1-O 2.85Å; R269-R315 PolarHBondContact NH2-O 2.98Å; N281-R315 PolarHBondContact O-N 3.42Å; N281-R315 PolarHBondContact OD1-NE 3.37Å; N281-R315 PolarHBondContact OD1-NH2 3.02Å; F283-R315 HydrophobicContact CE2-CB 3.81Å; R315-N319 PolarHBondContact NH1-OD1 2.94Å; R315-K320 WeakPolarHBondContact CA-O 3.17Å; R315-I321 HydrophobicContact CB-CD1 3.78Å; R315-I321 HydrophobicContact CG-CD1 4.21Å; R315-E464 WeakPolarHBondContact CD-O 3.25Å; R315-E464 VanDerWaalsContact NH1-CA 3.27Å; R315-E464 PolarHBondContact NH1-O 3.27Å
316N96.6Very high98Very high10 Ų1027.2 Ų27.25%0.05313%0.126CC..  trans-76.1179-17794.2-26.8000113.2E268 R269 Y314 R318 N319 K320 L322E268-N316 WeakPolarHBondContact OE1-CB 3.37Å; E268-N316 PolarHBondContact OE1-ND2 3.1Å; E268-N316 VanDerWaalsContact OE1-ND2 3.17Å; E268-N316 WeakPolarHBondContact OE2-CB 3.4Å; R269-N316 PolarHBondContact NH2-O 3.49Å; R269-N316 VanDerWaalsContact NH2-O 3.1Å; Y314-N316 HydrophobicContact CD1-CB 4.13Å; Y314-N316 HydrophobicContact CE1-CB 4.02Å; N316-R318 PolarHBondContact O-N 3.11Å; N316-R318 VanDerWaalsContact O-N 3.13Å; N316-R318 WeakPolarHBondContact OD1-CA 3.45Å; N316-R318 WeakPolarHBondContact OD1-CB 3.28Å; N316-R318 PolarHBondContact OD1-N 3.27Å; N316-N319 PolarHBondContact O-N 3.39Å; N316-N319 PolarHBondContact OD1-N 3.32Å; N316-K320 PolarHBondContact N-O 2.69Å; N316-K320 WeakPolarHBondContact OD1-CB 3.34Å; N316-K320 PolarHBondContact OD1-N 2.92Å; N316-L322 HydrophobicContact CB-CD1 4.09Å
317L96.4Very high98Very high108 Ų10825.8 Ų25.857%0.56512%0.119SC*.THydrogen-bonded Turntrans-63.3-18.3-178.7-69.9174.6000113.9E268 R269 N319E268-L317 HydrophobicContact CB-CD1 3.95Å; E268-L317 HydrophobicContact CB-CG 3.88Å; E268-L317 VanDerWaalsContact OE2-CB 3.31Å; E268-L317 WeakPolarHBondContact OE2-CB 3.41Å; E268-L317 WeakPolarHBondContact OE2-CG 3.34Å; E268-L317 PolarHBondContact OE2-N 2.82Å; R269-L317 HydrophobicContact CG-CD2 3.83Å; L317-N319 VanDerWaalsContact C-N 3.34Å
318R94.5Very high98Very high198 Ų19825.4 Ų25.475%0.74712%0.115SC*.THydrogen-bonded Turntrans-95.913.6175.7-54.3-175.8-168.9-178.54.3112.5N316 K320N316-R318 PolarHBondContact O-N 3.11Å; N316-R318 VanDerWaalsContact O-N 3.13Å; N316-R318 WeakPolarHBondContact OD1-CA 3.45Å; N316-R318 WeakPolarHBondContact OD1-CB 3.28Å; N316-R318 PolarHBondContact OD1-N 3.27Å; R318-K320 HydrophobicContact CB-CG 4.35Å; R318-K320 PolarHBondContact O-N 2.86Å
319N94.4Very high97.9Very high57 Ų5725.6 Ų25.631%0.30512%0.117SC..SBendtrans58.126.7-175.8-60.1-46.2000114.1R315 N316 L317 P466R315-N319 PolarHBondContact NH1-OD1 2.94Å; N316-N319 PolarHBondContact O-N 3.39Å; N316-N319 PolarHBondContact OD1-N 3.32Å; L317-N319 VanDerWaalsContact C-N 3.34Å; N319-P466 HydrophobicContact CB-CG 4.16Å
320K95.6Very high97.9Very high71 Ų7126.7 Ų26.731%0.30912%0.122SC..  trans-91.6138.1173.8-64.5-177.2165.3-157.10109.7F231 R315 N316 R318 L322F231-K320 HydrophobicContact CD2-CB 3.76Å; F231-K320 HydrophobicContact CD2-CD 3.48Å; F231-K320 VanDerWaalsContact CD2-CD 3.48Å; F231-K320 HydrophobicContact CD2-CG 3.74Å; F231-K320 HydrophobicContact CE2-CB 3.91Å; F231-K320 HydrophobicContact CE2-CD 3.6Å; F231-K320 HydrophobicContact CE2-CG 3.55Å; F231-K320 HydrophobicContact CG-CD 4Å; F231-K320 HydrophobicContact CZ-CD 4.23Å; F231-K320 HydrophobicContact CZ-CG 4.4Å; R315-K320 WeakPolarHBondContact CA-O 3.17Å; N316-K320 PolarHBondContact N-O 2.69Å; N316-K320 WeakPolarHBondContact OD1-CB 3.34Å; N316-K320 PolarHBondContact OD1-N 2.92Å; R318-K320 HydrophobicContact CB-CG 4.35Å; R318-K320 PolarHBondContact O-N 2.86Å; K320-L322 HydrophobicContact CB-CD2 4.49Å
321I98Very high97.8Very high5 Ų530 Ų303%0.02614%0.14CC..EExtended strand (participates in β ladder)trans-85.3122.6171.9-58.5-55.9000108.6G234 L238 I246 F283 L313 Y314 R315 L465G234-I321 WeakPolarHBondContact CA-O 2.86Å; L238-I321 HydrophobicContact CD1-CG1 3.83Å; I246-I321 HydrophobicContact CD1-CG2 4.09Å; F283-I321 HydrophobicContact CD2-CD1 3.8Å; F283-I321 HydrophobicContact CE2-CD1 3.76Å; F283-I321 HydrophobicContact CZ-CD1 4.4Å; L313-I321 HydrophobicContact CB-CG2 3.59Å; L313-I321 HydrophobicContact CD2-CG2 3.53Å; L313-I321 HydrophobicContact CG-CG2 4.15Å; Y314-I321 CarbonylContact O-C 3.58Å; Y314-I321 WeakPolarHBondContact O-CA 3.36Å; R315-I321 HydrophobicContact CB-CD1 3.78Å; R315-I321 HydrophobicContact CG-CD1 4.21Å; I321-L465 HydrophobicContact CD1-CD2 3.88Å; I321-L465 HydrophobicContact CG1-CD2 4.39Å
322L98.6Very high97.7Very high38 Ų3832.1 Ų32.120%0.19915%0.154CC..EExtended strand (participates in β ladder)trans-126.3133.4-178.7-57.9177.3000110.1D230 F231 L313 Y314 N316 K320D230-L322 HydrophobicContact CB-CD2 4.4Å; F231-L322 HydrophobicContact CB-CD2 3.89Å; L313-L322 CarbonylContact C-O 3.58Å; L313-L322 WeakPolarHBondContact CA-O 3.28Å; Y314-L322 PolarHBondContact N-O 3.45Å; Y314-L322 PolarHBondContact O-N 3.44Å; N316-L322 HydrophobicContact CB-CD1 4.09Å; K320-L322 HydrophobicContact CB-CD2 4.49Å
323P98.9Very high97.4Very high2 Ų239.6 Ų39.61%0.01319%0.194CC..EExtended strand (participates in β ladder)trans-65134.6170.929.2-37.7000111.3D230 F233 W347 K351D230-P323 HydrophobicContact CB-CG 3.91Å; D230-P323 VanDerWaalsContact O-CD 3.22Å; D230-P323 WeakPolarHBondContact O-CD 3.34Å; F233-P323 HydrophobicContact CD1-CB 3.8Å; F233-P323 HydrophobicContact CD1-CG 3.5Å; F233-P323 VanDerWaalsContact CD1-CG 3.5Å; F233-P323 HydrophobicContact CE1-CB 3.74Å; F233-P323 HydrophobicContact CE1-CG 3.97Å; F233-P323 HydrophobicContact CG-CG 4.33Å; P323-W347 HydrophobicContact CB-CH2 3.9Å; P323-W347 HydrophobicContact CB-CZ2 3.72Å; P323-W347 HydrophobicContact CG-CH2 4.42Å; P323-W347 HydrophobicContact CG-CZ2 3.73Å; P323-K351 HydrophobicContact CG-CD 4.32Å
324I98.9Very high97.1Very high2 Ų245.4 Ų45.41%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-123-20.6-179.859.7164.8000113.7V263 S266 L267 I282 L312 L339 P340V263-I324 HydrophobicContact CB-CD1 4.11Å; V263-I324 HydrophobicContact CG1-CB 4.38Å; V263-I324 HydrophobicContact CG1-CD1 4.15Å; V263-I324 HydrophobicContact CG1-CG1 4.39Å; V263-I324 HydrophobicContact CG2-CD1 4.38Å; S266-I324 VanDerWaalsContact CB-CG2 3.48Å; L267-I324 HydrophobicContact CD2-CD1 4.48Å; I282-I324 HydrophobicContact CD1-CD1 3.98Å; L312-I324 HydrophobicContact CB-CG1 4.13Å; L312-I324 HydrophobicContact CD2-CD1 3.81Å; L312-I324 HydrophobicContact CD2-CG1 4.13Å; L312-I324 HydrophobicContact CG-CD1 4.13Å; L312-I324 HydrophobicContact CG-CG1 4.13Å; L312-I324 WeakPolarHBondContact O-CG1 3.46Å; L312-I324 PolarHBondContact O-N 3.03Å; I324-L339 WeakPolarHBondContact O-CD2 3.35Å; I324-P340 VanDerWaalsContact O-CD 3.22Å; I324-P340 WeakPolarHBondContact O-CD 3.29Å
325A98.9Very high97Very high0 Ų046.1 Ų46.10%023%0.225CC..EExtended strand (participates in β ladder)trans-154.4144.3173.900000111.2F256 V258 V263 L312 I337 F338 L339F256-A325 HydrophobicContact CE2-CB 4.5Å; F256-A325 HydrophobicContact CZ-CB 4.09Å; V258-A325 HydrophobicContact CG1-CB 4.07Å; V258-A325 HydrophobicContact CG2-CB 3.87Å; V263-A325 HydrophobicContact CG1-CB 4.26Å; L312-A325 HydrophobicContact CB-CB 4.08Å; L312-A325 PolarHBondContact N-O 3.19Å; L312-A325 PolarHBondContact O-N 3.37Å; A325-I337 HydrophobicContact CB-CG2 3.89Å; A325-F338 CarbonylContact C-O 3.55Å; A325-F338 WeakPolarHBondContact CA-O 3.45Å; A325-L339 HydrophobicContact CB-CD2 3.98Å
326I98.9Very high97Very high0 Ų046 Ų460%023%0.228CC..EExtended strand (participates in β ladder)trans-137.7124.3176.6-64.4172.8000110F233 M310 C311 L328 I337 F338 W347 A350 K351 V354F233-I326 HydrophobicContact CZ-CD1 4.33Å; M310-I326 WeakPolarHBondContact O-CA 3.26Å; C311-I326 HydrophobicContact CB-CG1 4.32Å; I326-L328 HydrophobicContact CG2-CD2 3.59Å; I326-L328 HydrophobicContact CG2-CG 4.36Å; I326-I337 CarbonylContact O-C 3.55Å; I326-I337 WeakPolarHBondContact O-CA 3.25Å; I326-F338 PolarHBondContact N-O 3.43Å; I326-F338 PolarHBondContact O-N 3.3Å; I326-W347 HydrophobicContact CB-CZ3 4.11Å; I326-W347 HydrophobicContact CD1-CE3 4.38Å; I326-W347 HydrophobicContact CD1-CH2 3.64Å; I326-W347 HydrophobicContact CD1-CZ2 4.4Å; I326-W347 HydrophobicContact CD1-CZ3 3.62Å; I326-W347 HydrophobicContact CG1-CH2 3.83Å; I326-W347 HydrophobicContact CG1-CZ3 3.76Å; I326-A350 HydrophobicContact CB-CB 4.36Å; I326-A350 HydrophobicContact CD1-CB 4.32Å; I326-A350 HydrophobicContact CG2-CB 4.13Å; I326-K351 HydrophobicContact CD1-CG 3.72Å; I326-V354 HydrophobicContact CD1-CG2 3.94Å; I326-V354 HydrophobicContact CG1-CG2 4.24Å; I326-V354 HydrophobicContact CG2-CG2 3.61Å
327Q98.9Very high97.1Very high0 Ų046.3 Ų46.30%023%0.23CC..EExtended strand (participates in β ladder)trans-108.5128.4166.1-168.3176.3-72.600108.4K255 F256 P309 M310 G329 N335 I337K255-Q327 PolarHBondContact O-NE2 3.27Å; F256-Q327 HydrophobicContact CD2-CB 3.77Å; F256-Q327 HydrophobicContact CE2-CB 3.57Å; F256-Q327 HydrophobicContact CZ-CB 4.44Å; P309-Q327 CarbonylContact C-O 3.13Å; P309-Q327 WeakPolarHBondContact CA-O 3.36Å; P309-Q327 WeakPolarHBondContact CB-O 3.4Å; M310-Q327 VanDerWaalsContact CE-NE2 3.32Å; M310-Q327 PolarHBondContact N-O 2.92Å; M310-Q327 PolarHBondContact O-N 3.03Å; Q327-G329 WeakPolarHBondContact CG-O 3.32Å; Q327-G329 PolarHBondContact NE2-O 3.17Å; Q327-N335 HydrophobicContact CG-CB 3.9Å; Q327-I337 HydrophobicContact CB-CG1 4.2Å; Q327-I337 HydrophobicContact CG-CG1 4.31Å
328L98.8Very high97.2Very high3 Ų341.1 Ų41.12%0.01620%0.203CC..SBendtrans-85.3-8-170.3-64.5-178.4000115.2A307 A308 P309 I326 F338 A350 W353 P575 P576A307-L328 WeakPolarHBondContact CB-O 3.35Å; A308-L328 PolarHBondContact N-O 3.49Å; P309-L328 HydrophobicContact CB-CD2 4.19Å; I326-L328 HydrophobicContact CG2-CD2 3.59Å; I326-L328 HydrophobicContact CG2-CG 4.36Å; L328-F338 HydrophobicContact CD1-CD2 4.15Å; L328-F338 HydrophobicContact CD1-CE2 3.68Å; L328-F338 HydrophobicContact CD1-CZ 4.46Å; L328-F338 HydrophobicContact CG-CD2 4.11Å; L328-F338 HydrophobicContact CG-CE2 3.97Å; L328-A350 HydrophobicContact CD2-CB 4.38Å; L328-W353 HydrophobicContact CD1-CB 4.31Å; L328-W353 HydrophobicContact CD1-CG 4.2Å; L328-W353 HydrophobicContact CD2-CB 3.57Å; L328-W353 HydrophobicContact CD2-CG 4.3Å; L328-P575 HydrophobicContact CB-CB 4.14Å; L328-P575 HydrophobicContact CD1-CB 3.99Å; L328-P576 HydrophobicContact CD1-CG 3.94Å
329G98.1Very high97.4Very high9 Ų932.4 Ų32.49%0.09317%0.171CC..SBendtrans-140171.4174.400000111.3Q327Q327-G329 WeakPolarHBondContact CG-O 3.32Å; Q327-G329 PolarHBondContact NE2-O 3.17Å
330Q98.1Very high97.6Very high23 Ų2331.6 Ų31.611%0.10717%0.169CC..SBendtrans-82.7-21.5-174.7-64-69.5-5200113.2K255 D286 D291 A308K255-Q330 WeakPolarHBondContact CB-O 3.45Å; D286-Q330 PolarHBondContact OD1-NE2 2.77Å; D291-Q330 HydrophobicContact CB-CG 3.84Å; A308-Q330 HydrophobicContact CB-CG 3.87Å; A308-Q330 PolarHBondContact O-NE2 2.77Å
331D97.2Very high97.7Very high70 Ų7032.6 Ų32.637%0.37418%0.181SC..  trans-91115.8176.2-171.9-17.9000110.8D333 E334 N335D331-D333 VanDerWaalsContact C-N 3.29Å; D331-D333 PolarHBondContact O-N 3.26Å; D331-D333 WeakPolarHBondContact OD1-CB 3.15Å; D331-D333 PolarHBondContact OD1-N 2.96Å; D331-E334 HydrophobicContact CB-CB 4.5Å; D331-E334 PolarHBondContact O-N 3.27Å; D331-N335 WeakPolarHBondContact O-CB 3.18Å; D331-N335 PolarHBondContact O-N 3.42Å; D331-N335 PolarHBondContact O-ND2 2.95Å
332P96.1Very high97.7Very high45 Ų4534.1 Ų34.129%0.29219%0.189SC..THydrogen-bonded Turntrans-69-22.7179.829.4-35.7000114P257 E334P257-P332 HydrophobicContact CG-CB 3.8Å; P332-E334 VanDerWaalsContact C-N 3.3Å; P332-E334 PolarHBondContact O-N 2.93Å
333D93.9Very high97.7Very high156 Ų15634.1 Ų34.183%0.83420%0.198SC*.THydrogen-bonded Turntrans-74.2-26.8-179.1-69.9-25.4000111.6D331D331-D333 VanDerWaalsContact C-N 3.29Å; D331-D333 PolarHBondContact O-N 3.26Å; D331-D333 WeakPolarHBondContact OD1-CB 3.15Å; D331-D333 PolarHBondContact OD1-N 2.96Å
334E92.2Very high97.6Very high122 Ų12240.7 Ų40.757%0.5723%0.229SC*.THydrogen-bonded Turntrans-101-9-178.8-64.3-163.8167.600114.5D331 P332 K577D331-E334 HydrophobicContact CB-CB 4.5Å; D331-E334 PolarHBondContact O-N 3.27Å; P332-E334 VanDerWaalsContact C-N 3.3Å; P332-E334 PolarHBondContact O-N 2.93Å; E334-K577 WeakPolarHBondContact O-CD 3.37Å; E334-K577 PolarHBondContact O-NZ 3.18Å; E334-K577 IonicContact OE2-NZ 2.69Å
335N96.1Very high97.6Very high15 Ų1543.8 Ų43.88%0.0824%0.241CC..SBendtrans-133.7113.3-168.2-61.6-75.3000111.5Q327 D331 K577Q327-N335 HydrophobicContact CG-CB 3.9Å; D331-N335 WeakPolarHBondContact O-CB 3.18Å; D331-N335 PolarHBondContact O-N 3.42Å; D331-N335 PolarHBondContact O-ND2 2.95Å; N335-K577 PolarHBondContact OD1-NZ 3.03Å
336P97.6Very high97.5Very high31 Ų3144.1 Ų44.120%0.20124%0.243CC..  trans-66.1149.1177.628.4-34.7000111.3F338P336-F338 HydrophobicContact CG-CE1 4.46Å; P336-F338 HydrophobicContact CG-CE2 3.75Å; P336-F338 HydrophobicContact CG-CZ 3.65Å; P336-F338 WeakPolarHBondContact O-CD2 3.45Å
337I98.8Very high97.5Very high17 Ų1744.8 Ų44.89%0.08725%0.245CC..EExtended strand (participates in β ladder)trans-87.7111.1171.2-61.2169.8000108.7F256 P257 V258 M262 A325 I326 Q327 L339 K579F256-I337 HydrophobicContact CD2-CD1 4.16Å; F256-I337 HydrophobicContact CD2-CG1 4.32Å; F256-I337 HydrophobicContact CE2-CD1 4.28Å; F256-I337 HydrophobicContact CE2-CG1 4.14Å; F256-I337 HydrophobicContact CE2-CG2 4.18Å; P257-I337 HydrophobicContact CG-CD1 4.12Å; V258-I337 HydrophobicContact CG2-CD1 4.17Å; V258-I337 HydrophobicContact CG2-CG2 4.4Å; M262-I337 HydrophobicContact CE-CB 3.5Å; M262-I337 HydrophobicContact CE-CD1 3.8Å; M262-I337 HydrophobicContact CE-CG1 4.23Å; M262-I337 HydrophobicContact CE-CG2 3.38Å; A325-I337 HydrophobicContact CB-CG2 3.89Å; I326-I337 CarbonylContact O-C 3.55Å; I326-I337 WeakPolarHBondContact O-CA 3.25Å; Q327-I337 HydrophobicContact CB-CG1 4.2Å; Q327-I337 HydrophobicContact CG-CG1 4.31Å; I337-L339 HydrophobicContact CG2-CD2 4.21Å; I337-K579 WeakPolarHBondContact O-CE 3.39Å; I337-K579 PolarHBondContact O-NZ 2.84Å
338F98.8Very high97.5Very high0 Ų045.2 Ų45.20%025%0.247CC..EExtended strand (participates in β ladder)trans-79.6143.1174.7-62-85.9000111.2A325 I326 L328 P336 D342 D346 W347 A350 P576 K579A325-F338 CarbonylContact C-O 3.55Å; A325-F338 WeakPolarHBondContact CA-O 3.45Å; I326-F338 PolarHBondContact N-O 3.43Å; I326-F338 PolarHBondContact O-N 3.3Å; L328-F338 HydrophobicContact CD1-CD2 4.15Å; L328-F338 HydrophobicContact CD1-CE2 3.68Å; L328-F338 HydrophobicContact CD1-CZ 4.46Å; L328-F338 HydrophobicContact CG-CD2 4.11Å; L328-F338 HydrophobicContact CG-CE2 3.97Å; P336-F338 HydrophobicContact CG-CE1 4.46Å; P336-F338 HydrophobicContact CG-CE2 3.75Å; P336-F338 HydrophobicContact CG-CZ 3.65Å; P336-F338 WeakPolarHBondContact O-CD2 3.45Å; F338-D342 VanDerWaalsContact CA-OD2 3.26Å; F338-D342 WeakPolarHBondContact CA-OD2 3.39Å; F338-D346 HydrophobicContact CD1-CB 4.08Å; F338-D346 HydrophobicContact CE1-CB 4.21Å; F338-W347 HydrophobicContact CB-CE3 4.18Å; F338-W347 HydrophobicContact CB-CZ3 4.38Å; F338-W347 WeakPolarHBondContact O-CZ3 3.34Å; F338-A350 HydrophobicContact CB-CB 3.68Å; F338-A350 HydrophobicContact CD1-CB 4.41Å; F338-A350 HydrophobicContact CD2-CB 3.92Å; F338-A350 HydrophobicContact CG-CB 3.74Å; F338-P576 HydrophobicContact CE1-CG 4.23Å; F338-P576 HydrophobicContact CE2-CG 4.19Å; F338-P576 HydrophobicContact CZ-CB 4.01Å; F338-P576 HydrophobicContact CZ-CG 3.59Å; F338-K579 HydrophobicContact CD1-CG 4.25Å; F338-K579 HydrophobicContact CE1-CG 3.99Å
339L98.8Very high97.5Very high14 Ų1445.2 Ų45.27%0.07325%0.247CC..  trans-128.7155.6-175.7-59.1171.7000110.5M262 V263 I324 A325 I337 T341 D342M262-L339 HydrophobicContact CB-CD1 3.95Å; M262-L339 HydrophobicContact CB-CD2 4.17Å; M262-L339 HydrophobicContact CE-CD1 4.36Å; M262-L339 HydrophobicContact CE-CD2 4.22Å; M262-L339 HydrophobicContact CG-CD1 4.44Å; M262-L339 WeakPolarHBondContact O-CD1 3.31Å; V263-L339 HydrophobicContact CG1-CD2 4.23Å; I324-L339 WeakPolarHBondContact O-CD2 3.35Å; A325-L339 HydrophobicContact CB-CD2 3.98Å; I337-L339 HydrophobicContact CG2-CD2 4.21Å; L339-T341 PolarHBondContact O-N 3.24Å; L339-D342 PolarHBondContact N-OD2 3.34Å; L339-D342 WeakPolarHBondContact O-CB 3.43Å; L339-D342 PolarHBondContact O-N 3.09Å
340P98.4Very high97.6Very high40 Ų4044.8 Ų44.826%0.2624%0.243SC..THydrogen-bonded Turntrans-58.2-19.4173.1-21.629.6000114.5I324 W347I324-P340 VanDerWaalsContact O-CD 3.22Å; I324-P340 WeakPolarHBondContact O-CD 3.29Å; P340-W347 HydrophobicContact CB-CZ2 4.24Å; P340-W347 HydrophobicContact CG-CH2 3.98Å; P340-W347 HydrophobicContact CG-CZ2 3.6Å
341T98.1Very high97.6Very high92 Ų9244 Ų4456%0.56424%0.24SC*.THydrogen-bonded Turntrans-87.5-7.517847.60000114.5V265 L339V265-T341 HydrophobicContact CG2-CG2 3.66Å; L339-T341 PolarHBondContact O-N 3.24Å
342D98.3Very high97.7Very high37 Ų3740.8 Ų40.820%0.19822%0.222CC..SBendtrans-70.6177.9174.5-66.9-33.7000111.3F338 L339 Q344 D346 K579F338-D342 VanDerWaalsContact CA-OD2 3.26Å; F338-D342 WeakPolarHBondContact CA-OD2 3.39Å; L339-D342 PolarHBondContact N-OD2 3.34Å; L339-D342 WeakPolarHBondContact O-CB 3.43Å; L339-D342 PolarHBondContact O-N 3.09Å; D342-Q344 PolarHBondContact O-N 2.7Å; D342-D346 HydrophobicContact CB-CB 4.3Å; D342-K579 IonicContact OD1-NZ 2.74Å; D342-K579 PolarHBondContact OD1-NZ 2.83Å; D342-K579 WeakPolarHBondContact OD2-CE 3.11Å; D342-K579 IonicContact OD2-NZ 3.79Å; D342-K579 PolarHBondContact OD2-NZ 3.23Å
343G97.4Very high97.8Very high38 Ų3838.7 Ų38.739%0.39221%0.208SC..  trans-52.5139.5175.900000111.6Y345 D346 W347G343-Y345 PolarHBondContact O-N 2.84Å; G343-D346 WeakPolarHBondContact O-CB 3.37Å; G343-D346 PolarHBondContact O-N 3.42Å; G343-W347 PolarHBondContact O-N 2.92Å
344Q97.1Very high98.1Very high140 Ų14031.3 Ų31.365%0.65417%0.169SC*.Hα-helixtrans-51-34.2-172.670.2177.7-3.300113.8D342 L348D342-Q344 PolarHBondContact O-N 2.7Å; Q344-L348 WeakPolarHBondContact O-CB 3.38Å; Q344-L348 PolarHBondContact O-N 3Å
345Y98.2Very high98.4Very high68 Ų6825.9 Ų25.927%0.26714%0.143SC..Hα-helixtrans-88.8-26.7-178.9-65-52.1000113.1G343 L348 L349 V582 V584 I587G343-Y345 PolarHBondContact O-N 2.84Å; Y345-L348 HydrophobicContact CD1-CD2 4.36Å; Y345-L349 VanDerWaalsContact O-CB 3.24Å; Y345-L349 WeakPolarHBondContact O-CB 3.33Å; Y345-L349 PolarHBondContact O-N 3.17Å; Y345-V582 WeakPolarHBondContact CB-O 3.44Å; Y345-V584 HydrophobicContact CE1-CB 4Å; Y345-V584 HydrophobicContact CE1-CG2 4.43Å; Y345-V584 HydrophobicContact CE2-CB 4.28Å; Y345-I587 HydrophobicContact CD1-CD1 3.79Å; Y345-I587 HydrophobicContact CG-CD1 4.28Å
346D98.5Very high98.5Very high6 Ų625.2 Ų25.23%0.03214%0.14CC..Hα-helixtrans-63.3-51170.8-61.7-42000109.3F338 D342 G343 L348 L349 A350 G580 V582F338-D346 HydrophobicContact CD1-CB 4.08Å; F338-D346 HydrophobicContact CE1-CB 4.21Å; D342-D346 HydrophobicContact CB-CB 4.3Å; G343-D346 WeakPolarHBondContact O-CB 3.37Å; G343-D346 PolarHBondContact O-N 3.42Å; D346-L348 PolarHBondContact O-N 3.2Å; D346-L349 PolarHBondContact O-N 3.42Å; D346-A350 WeakPolarHBondContact O-CB 3.31Å; D346-A350 PolarHBondContact O-N 2.7Å; D346-G580 VanDerWaalsContact CG-N 3.35Å; D346-G580 PolarHBondContact OD1-N 3.3Å; D346-G580 VanDerWaalsContact OD2-CA 3.31Å; D346-G580 WeakPolarHBondContact OD2-CA 3.4Å; D346-G580 PolarHBondContact OD2-N 2.92Å; D346-V582 VanDerWaalsContact OD1-CB 3.3Å; D346-V582 WeakPolarHBondContact OD1-CB 3.4Å; D346-V582 VanDerWaalsContact OD1-CG2 3.23Å; D346-V582 WeakPolarHBondContact OD1-CG2 3.49Å; D346-V582 PolarHBondContact OD1-N 3.26Å
347W98.8Very high98.6Very high14 Ų1423.9 Ų23.95%0.05313%0.131CC..Hα-helixtrans-62.8-42.9177.6-178-127.4000112.2D230 P323 I326 F338 P340 G343 A350 K351D230-W347 PolarHBondContact OD1-NE1 3.41Å; D230-W347 PolarHBondContact OD2-NE1 3.02Å; P323-W347 HydrophobicContact CB-CH2 3.9Å; P323-W347 HydrophobicContact CB-CZ2 3.72Å; P323-W347 HydrophobicContact CG-CH2 4.42Å; P323-W347 HydrophobicContact CG-CZ2 3.73Å; I326-W347 HydrophobicContact CB-CZ3 4.11Å; I326-W347 HydrophobicContact CD1-CE3 4.38Å; I326-W347 HydrophobicContact CD1-CH2 3.64Å; I326-W347 HydrophobicContact CD1-CZ2 4.4Å; I326-W347 HydrophobicContact CD1-CZ3 3.62Å; I326-W347 HydrophobicContact CG1-CH2 3.83Å; I326-W347 HydrophobicContact CG1-CZ3 3.76Å; F338-W347 HydrophobicContact CB-CE3 4.18Å; F338-W347 HydrophobicContact CB-CZ3 4.38Å; F338-W347 WeakPolarHBondContact O-CZ3 3.34Å; P340-W347 HydrophobicContact CB-CZ2 4.24Å; P340-W347 HydrophobicContact CG-CH2 3.98Å; P340-W347 HydrophobicContact CG-CZ2 3.6Å; G343-W347 PolarHBondContact O-N 2.92Å; W347-A350 PolarHBondContact O-N 2.88Å; W347-K351 HydrophobicContact CD2-CG 4.42Å; W347-K351 HydrophobicContact CZ2-CD 4.11Å; W347-K351 HydrophobicContact CZ2-CG 4.25Å; W347-K351 WeakPolarHBondContact O-CG 3.37Å; W347-K351 PolarHBondContact O-N 3.17Å; W347-K351 VanDerWaalsContact O-N 3.07Å
348L98.8Very high98.6Very high9 Ų923.3 Ų23.35%0.04713%0.128CC..Hα-helixtrans-62.5-46.1177.5-176.160000111.8W227 K228 Q344 Y345 D346 K351 I352 I587W227-L348 HydrophobicContact CE3-CD1 4.2Å; W227-L348 HydrophobicContact CH2-CD1 4Å; W227-L348 HydrophobicContact CH2-CD2 3.97Å; W227-L348 HydrophobicContact CH2-CG 4.25Å; W227-L348 HydrophobicContact CZ3-CD1 3.64Å; W227-L348 HydrophobicContact CZ3-CD2 4.44Å; W227-L348 HydrophobicContact CZ3-CG 4.24Å; K228-L348 HydrophobicContact CB-CD1 4.35Å; K228-L348 HydrophobicContact CD-CD2 4.39Å; K228-L348 HydrophobicContact CG-CD1 4.02Å; K228-L348 HydrophobicContact CG-CD2 4.4Å; Q344-L348 WeakPolarHBondContact O-CB 3.38Å; Q344-L348 PolarHBondContact O-N 3Å; Y345-L348 HydrophobicContact CD1-CD2 4.36Å; D346-L348 PolarHBondContact O-N 3.2Å; L348-K351 PolarHBondContact O-N 2.92Å; L348-I352 HydrophobicContact CG-CD1 4.1Å; L348-I352 VanDerWaalsContact O-CG1 3.28Å; L348-I352 WeakPolarHBondContact O-CG1 3.35Å; L348-I352 PolarHBondContact O-N 3.36Å; L348-I587 HydrophobicContact CB-CD1 4.43Å; L348-I587 HydrophobicContact CD2-CD1 4.04Å; L348-I587 HydrophobicContact CG-CD1 4.3Å
349L98.8Very high98.6Very high3 Ų323.5 Ų23.52%0.01613%0.129CC..Hα-helixtrans-66.4-38.3179.4-176.455.8000111.6Y345 D346 K351 I352 W353 M571 P576 V582 I587Y345-L349 VanDerWaalsContact O-CB 3.24Å; Y345-L349 WeakPolarHBondContact O-CB 3.33Å; Y345-L349 PolarHBondContact O-N 3.17Å; D346-L349 PolarHBondContact O-N 3.42Å; L349-K351 VanDerWaalsContact C-N 3.33Å; L349-K351 PolarHBondContact O-N 3.01Å; L349-I352 HydrophobicContact CD1-CB 4.43Å; L349-I352 PolarHBondContact O-N 2.68Å; L349-W353 VanDerWaalsContact O-CD1 3.24Å; L349-W353 PolarHBondContact O-N 2.96Å; L349-M571 HydrophobicContact CD1-CE 3.91Å; L349-P576 HydrophobicContact CD2-CG 4.12Å; L349-V582 HydrophobicContact CB-CG1 4.02Å; L349-V582 HydrophobicContact CD2-CB 4.42Å; L349-V582 HydrophobicContact CD2-CG1 3.59Å; L349-V582 HydrophobicContact CD2-CG2 3.86Å; L349-V582 HydrophobicContact CG-CG1 4.44Å; L349-I587 HydrophobicContact CB-CD1 4.38Å; L349-I587 HydrophobicContact CB-CG1 4.16Å; L349-I587 HydrophobicContact CD1-CG1 4.29Å
350A98.9Very high98.6Very high0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-58.4-45.317400000111.6I326 L328 F338 D346 W347 W353 V354I326-A350 HydrophobicContact CB-CB 4.36Å; I326-A350 HydrophobicContact CD1-CB 4.32Å; I326-A350 HydrophobicContact CG2-CB 4.13Å; L328-A350 HydrophobicContact CD2-CB 4.38Å; F338-A350 HydrophobicContact CB-CB 3.68Å; F338-A350 HydrophobicContact CD1-CB 4.41Å; F338-A350 HydrophobicContact CD2-CB 3.92Å; F338-A350 HydrophobicContact CG-CB 3.74Å; D346-A350 WeakPolarHBondContact O-CB 3.31Å; D346-A350 PolarHBondContact O-N 2.7Å; W347-A350 PolarHBondContact O-N 2.88Å; A350-W353 PolarHBondContact O-N 2.92Å; A350-V354 PolarHBondContact O-N 3.49Å; A350-V354 VanDerWaalsContact O-N 3.13Å
351K98.9Very high98.6Very high8 Ų821.7 Ų21.74%0.03512%0.117CC..Hα-helixtrans-62.8-41.8173.5-71.4-171-60.71780112.8K228 D230 F233 P323 I326 W347 L348 L349 W353 V354 R355K228-K351 PolarHBondContact O-NZ 2.97Å; D230-K351 WeakPolarHBondContact OD1-CD 3.48Å; D230-K351 WeakPolarHBondContact OD1-CE 3.14Å; D230-K351 IonicContact OD1-NZ 3.04Å; D230-K351 PolarHBondContact OD1-NZ 3.41Å; F233-K351 HydrophobicContact CB-CD 4.25Å; F233-K351 HydrophobicContact CD1-CD 4.35Å; F233-K351 HydrophobicContact CD2-CB 3.84Å; F233-K351 HydrophobicContact CD2-CD 3.98Å; F233-K351 HydrophobicContact CD2-CG 4.01Å; F233-K351 HydrophobicContact CE1-CG 4.49Å; F233-K351 HydrophobicContact CE2-CB 3.67Å; F233-K351 HydrophobicContact CE2-CD 4.39Å; F233-K351 HydrophobicContact CE2-CG 3.92Å; F233-K351 WeakPolarHBondContact CE2-O 3.42Å; F233-K351 HydrophobicContact CG-CD 3.95Å; F233-K351 HydrophobicContact CG-CG 4.34Å; F233-K351 HydrophobicContact CZ-CB 4.32Å; F233-K351 HydrophobicContact CZ-CG 4.15Å; P323-K351 HydrophobicContact CG-CD 4.32Å; I326-K351 HydrophobicContact CD1-CG 3.72Å; W347-K351 HydrophobicContact CD2-CG 4.42Å; W347-K351 HydrophobicContact CZ2-CD 4.11Å; W347-K351 HydrophobicContact CZ2-CG 4.25Å; W347-K351 WeakPolarHBondContact O-CG 3.37Å; W347-K351 PolarHBondContact O-N 3.17Å; W347-K351 VanDerWaalsContact O-N 3.07Å; L348-K351 PolarHBondContact O-N 2.92Å; L349-K351 VanDerWaalsContact C-N 3.33Å; L349-K351 PolarHBondContact O-N 3.01Å; K351-W353 VanDerWaalsContact C-N 3.29Å; K351-W353 PolarHBondContact O-N 2.99Å; K351-V354 PolarHBondContact O-N 3.11Å; K351-R355 WeakPolarHBondContact O-CG 3.36Å; K351-R355 PolarHBondContact O-N 3.26Å
352I98.9Very high98.7Very high2 Ų217.5 Ų17.51%0.019%0.091CC..Hα-helixtrans-58.7-42.3176.6-70.3169.1000110.8W227 L348 L349 R355 S356 P568 M571 I587 L591W227-I352 HydrophobicContact CH2-CD1 4.03Å; W227-I352 HydrophobicContact CZ3-CD1 3.74Å; W227-I352 HydrophobicContact CZ3-CG1 3.78Å; L348-I352 HydrophobicContact CG-CD1 4.1Å; L348-I352 VanDerWaalsContact O-CG1 3.28Å; L348-I352 WeakPolarHBondContact O-CG1 3.35Å; L348-I352 PolarHBondContact O-N 3.36Å; L349-I352 HydrophobicContact CD1-CB 4.43Å; L349-I352 PolarHBondContact O-N 2.68Å; I352-R355 PolarHBondContact O-N 3.05Å; I352-S356 PolarHBondContact O-N 3.42Å; I352-P568 HydrophobicContact CG2-CG 3.64Å; I352-M571 HydrophobicContact CG2-CE 3.88Å; I352-M571 HydrophobicContact CG2-SD 4.12Å; I352-I587 HydrophobicContact CD1-CG2 3.55Å; I352-L591 HydrophobicContact CG2-CD2 3.91Å
353W98.9Very high98.7Very high1 Ų116.8 Ų16.80%0.0049%0.086CC..Hα-helixtrans-62.9-41.4175.5-85.2107.8000113.1A307 L328 L349 A350 K351 R355 S356 A357 M571 K573 P575A307-W353 HydrophobicContact CB-CD2 4.23Å; A307-W353 HydrophobicContact CB-CE3 3.43Å; A307-W353 VanDerWaalsContact CB-CE3 3.43Å; A307-W353 HydrophobicContact CB-CZ3 3.81Å; L328-W353 HydrophobicContact CD1-CB 4.31Å; L328-W353 HydrophobicContact CD1-CG 4.2Å; L328-W353 HydrophobicContact CD2-CB 3.57Å; L328-W353 HydrophobicContact CD2-CG 4.3Å; L349-W353 VanDerWaalsContact O-CD1 3.24Å; L349-W353 PolarHBondContact O-N 2.96Å; A350-W353 PolarHBondContact O-N 2.92Å; K351-W353 VanDerWaalsContact C-N 3.29Å; K351-W353 PolarHBondContact O-N 2.99Å; W353-R355 VanDerWaalsContact C-N 3.33Å; W353-R355 PolarHBondContact O-N 3.07Å; W353-S356 WeakPolarHBondContact O-CB 3.46Å; W353-S356 PolarHBondContact O-N 3.45Å; W353-A357 PolarHBondContact O-N 3.49Å; W353-M571 HydrophobicContact CD2-CE 3.9Å; W353-M571 HydrophobicContact CD2-CG 4.15Å; W353-M571 HydrophobicContact CE3-CB 4.35Å; W353-M571 HydrophobicContact CE3-CE 4.49Å; W353-M571 HydrophobicContact CE3-CG 3.79Å; W353-M571 HydrophobicContact CG-CE 4.24Å; W353-M571 HydrophobicContact CH2-CB 3.26Å; W353-M571 HydrophobicContact CH2-CG 3.65Å; W353-M571 HydrophobicContact CZ2-CB 3.68Å; W353-M571 HydrophobicContact CZ2-CE 3.88Å; W353-M571 HydrophobicContact CZ2-CG 3.97Å; W353-M571 HydrophobicContact CZ3-CB 3.63Å; W353-M571 HydrophobicContact CZ3-CG 3.54Å; W353-K573 WeakPolarHBondContact CH2-O 3.49Å; W353-K573 WeakPolarHBondContact CZ2-O 3.3Å; W353-P575 HydrophobicContact CD2-CB 4.49Å; W353-P575 HydrophobicContact CD2-CG 4.15Å; W353-P575 HydrophobicContact CE3-CG 4.23Å; W353-P575 HydrophobicContact CH2-CG 3.76Å; W353-P575 HydrophobicContact CZ2-CB 4.26Å; W353-P575 HydrophobicContact CZ2-CG 3.72Å; W353-P575 VanDerWaalsContact CZ2-N 3.33Å; W353-P575 HydrophobicContact CZ3-CG 4.03Å
354V98.9Very high98.8Very high0 Ų015 Ų150%07%0.068CC..Hα-helixtrans-61.5-42.9172.6178.40000111.1F233 F237 Y287 P309 C311 I326 A350 K351 S356 A357 D358F233-V354 HydrophobicContact CE2-CB 4.05Å; F233-V354 HydrophobicContact CE2-CG1 4.17Å; F233-V354 HydrophobicContact CZ-CB 3.76Å; F233-V354 HydrophobicContact CZ-CG1 3.62Å; F233-V354 HydrophobicContact CZ-CG2 4.34Å; F237-V354 HydrophobicContact CZ-CG1 3.9Å; Y287-V354 HydrophobicContact CE2-CG1 3.9Å; P309-V354 HydrophobicContact CB-CG2 3.86Å; P309-V354 HydrophobicContact CG-CB 4.43Å; P309-V354 HydrophobicContact CG-CG2 4Å; C311-V354 HydrophobicContact CB-CG1 4.33Å; C311-V354 HydrophobicContact CB-CG2 4.41Å; I326-V354 HydrophobicContact CD1-CG2 3.94Å; I326-V354 HydrophobicContact CG1-CG2 4.24Å; I326-V354 HydrophobicContact CG2-CG2 3.61Å; A350-V354 PolarHBondContact O-N 3.49Å; A350-V354 VanDerWaalsContact O-N 3.13Å; K351-V354 PolarHBondContact O-N 3.11Å; V354-S356 VanDerWaalsContact C-N 3.33Å; V354-S356 PolarHBondContact O-N 3.4Å; V354-A357 PolarHBondContact O-N 3.28Å; V354-D358 WeakPolarHBondContact O-CB 3.46Å; V354-D358 PolarHBondContact O-N 2.95Å
355R98.9Very high98.8Very high8 Ų88.7 Ų8.73%0.034%0.038CC..Hα-helixtrans-63.8-36.3175.7-68-53.1-60.6139.810.4112.8F233 Q236 K351 I352 W353 D358 F359 N566F233-R355 HydrophobicContact CD2-CG 4.01Å; F233-R355 HydrophobicContact CE2-CG 3.87Å; Q236-R355 VanDerWaalsContact OE1-NH2 3.17Å; K351-R355 WeakPolarHBondContact O-CG 3.36Å; K351-R355 PolarHBondContact O-N 3.26Å; I352-R355 PolarHBondContact O-N 3.05Å; W353-R355 VanDerWaalsContact C-N 3.33Å; W353-R355 PolarHBondContact O-N 3.07Å; R355-D358 IonicContact CZ-OD2 3.1Å; R355-D358 IonicContact NH1-OD2 2.7Å; R355-D358 PolarHBondContact NH1-OD2 2.85Å; R355-D358 IonicContact NH2-OD2 2.8Å; R355-D358 PolarHBondContact O-N 3.25Å; R355-F359 PolarHBondContact O-N 3.43Å; R355-N566 VanDerWaalsContact CB-O 3.28Å; R355-N566 WeakPolarHBondContact CB-O 3.42Å; R355-N566 WeakPolarHBondContact CG-O 3.29Å; R355-N566 PolarHBondContact NE-O 2.85Å; R355-N566 PolarHBondContact NH2-O 2.92Å
356S98.9Very high98.9Very high2 Ų25.5 Ų5.51%0.0143%0.026CC..Hα-helixtrans-65.1-45.9174-179.90000111.1I352 W353 V354 F359 Q360 P568I352-S356 PolarHBondContact O-N 3.42Å; W353-S356 WeakPolarHBondContact O-CB 3.46Å; W353-S356 PolarHBondContact O-N 3.45Å; V354-S356 VanDerWaalsContact C-N 3.33Å; V354-S356 PolarHBondContact O-N 3.4Å; S356-F359 WeakPolarHBondContact O-CB 3.21Å; S356-F359 PolarHBondContact O-N 2.68Å; S356-Q360 WeakPolarHBondContact O-CG 3.38Å; S356-Q360 PolarHBondContact O-N 2.89Å; S356-P568 WeakPolarHBondContact CA-O 3.34Å; S356-P568 PolarHBondContact OG-O 3.07Å
357A98.9Very high98.9Very high3 Ų35.7 Ų5.73%0.0253%0.027CC..Hα-helixtrans-60.8-43.3174.800000111.9Y287 L290 P309 W353 V354 F359 Q360 H361Y287-A357 HydrophobicContact CD1-CB 4.03Å; Y287-A357 HydrophobicContact CD2-CB 4.18Å; Y287-A357 HydrophobicContact CE1-CB 4.39Å; Y287-A357 HydrophobicContact CE2-CB 4.49Å; Y287-A357 HydrophobicContact CG-CB 3.93Å; L290-A357 HydrophobicContact CD1-CB 3.56Å; P309-A357 HydrophobicContact CG-CB 3.57Å; W353-A357 PolarHBondContact O-N 3.49Å; V354-A357 PolarHBondContact O-N 3.28Å; A357-F359 VanDerWaalsContact C-N 3.3Å; A357-F359 PolarHBondContact O-N 3.2Å; A357-Q360 PolarHBondContact O-N 2.58Å; A357-H361 PolarHBondContact O-N 3.47Å
358D98.9Very high98.9Very high4 Ų45.9 Ų5.92%0.0213%0.029CC..Hα-helixtrans-57.1-43.7174-16754.1000112.1N242 Y287 V354 R355 H361 H362N242-D358 PolarHBondContact ND2-OD1 3.43Å; Y287-D358 VanDerWaalsContact CE1-CA 3.49Å; Y287-D358 HydrophobicContact CE1-CB 4.2Å; Y287-D358 WeakPolarHBondContact OH-CA 3.39Å; Y287-D358 WeakPolarHBondContact OH-CB 3.47Å; Y287-D358 VanDerWaalsContact OH-CG 3.26Å; Y287-D358 PolarHBondContact OH-OD1 2.87Å; V354-D358 WeakPolarHBondContact O-CB 3.46Å; V354-D358 PolarHBondContact O-N 2.95Å; R355-D358 IonicContact CZ-OD2 3.1Å; R355-D358 IonicContact NH1-OD2 2.7Å; R355-D358 PolarHBondContact NH1-OD2 2.85Å; R355-D358 IonicContact NH2-OD2 2.8Å; R355-D358 PolarHBondContact O-N 3.25Å; D358-H361 PolarHBondContact O-N 3.46Å; D358-H362 WeakPolarHBondContact O-CB 3.26Å; D358-H362 PolarHBondContact O-N 2.91Å
359F98.9Very high98.9Very high5 Ų55.5 Ų5.52%0.0223%0.027CC..Hα-helixtrans-64.2-42.4176.6-176-94.4000112.2R355 S356 A357 H362 Q363 N425 C561 A567 H600 V604R355-F359 PolarHBondContact O-N 3.43Å; S356-F359 WeakPolarHBondContact O-CB 3.21Å; S356-F359 PolarHBondContact O-N 2.68Å; A357-F359 VanDerWaalsContact C-N 3.3Å; A357-F359 PolarHBondContact O-N 3.2Å; F359-H362 PolarHBondContact O-N 3.03Å; F359-Q363 HydrophobicContact CD1-CG 4.13Å; F359-Q363 HydrophobicContact CD2-CG 4.28Å; F359-Q363 HydrophobicContact CE1-CG 3.73Å; F359-Q363 HydrophobicContact CE2-CG 3.88Å; F359-Q363 HydrophobicContact CG-CG 4.41Å; F359-Q363 HydrophobicContact CZ-CG 3.61Å; F359-Q363 WeakPolarHBondContact O-CG 3.34Å; F359-Q363 PolarHBondContact O-N 3.49Å; F359-N425 WeakPolarHBondContact CE1-OD1 3.16Å; F359-C561 HydrophobicContact CD2-CB 4.45Å; F359-C561 HydrophobicContact CE2-CB 4.23Å; F359-A567 HydrophobicContact CB-CB 4.43Å; F359-A567 HydrophobicContact CD2-CB 4.05Å; F359-H600 AromaticContact CE2-CE1 3.64Å; F359-H600 AromaticContact CZ-CE1 3.64Å; F359-H600 AromaticContact CZ-ND1 3.71Å; F359-V604 HydrophobicContact CE2-CG1 4.42Å
360Q98.9Very high98.9Very high0 Ų07.4 Ų7.40%03%0.034CC..Hα-helixtrans-63.7-43.4176.2-55.5-44-57.200111.7L290 L306 S356 A357 N364 T427 S569L290-Q360 HydrophobicContact CD1-CB 4.26Å; L290-Q360 HydrophobicContact CD2-CB 3.94Å; L306-Q360 HydrophobicContact CD2-CG 3.79Å; S356-Q360 WeakPolarHBondContact O-CG 3.38Å; S356-Q360 PolarHBondContact O-N 2.89Å; A357-Q360 PolarHBondContact O-N 2.58Å; Q360-N364 WeakPolarHBondContact O-CB 3.34Å; Q360-N364 PolarHBondContact O-N 3.11Å; Q360-N364 PolarHBondContact O-ND2 3.43Å; Q360-T427 HydrophobicContact CB-CG2 3.96Å; Q360-T427 HydrophobicContact CG-CG2 3.97Å; Q360-T427 PolarHBondContact OE1-OG1 3.3Å; Q360-S569 PolarHBondContact NE2-O 3.42Å
361H98.9Very high98.9Very high16 Ų167.4 Ų7.47%0.0743%0.034CC..Hα-helixtrans-64.5-45.9176.5-174.6-68.2000111.1L245 Y287 A357 D358 I365 T366L245-H361 HydrophobicContact CD1-CB 4.22Å; Y287-H361 HydrophobicContact CD1-CB 4.14Å; Y287-H361 HydrophobicContact CE1-CB 3.98Å; A357-H361 PolarHBondContact O-N 3.47Å; D358-H361 PolarHBondContact O-N 3.46Å; H361-I365 WeakPolarHBondContact NE2-CD1 3.3Å; H361-I365 WeakPolarHBondContact O-CA 3.49Å; H361-I365 WeakPolarHBondContact O-CB 3.39Å; H361-I365 PolarHBondContact O-N 2.99Å; H361-T366 PolarHBondContact ND1-OG1 2.77Å; H361-T366 PolarHBondContact O-N 3.18Å
362H98.9Very high98.9Very high3 Ų37.9 Ų7.91%0.0144%0.036CC..Iπ-helixtrans-55-56.8179.6169.2-107.1000111.8C241 N242 D358 F359 N364 T366 H367 V553C241-H362 PolarHBondContact O-CD2 3.5Å; C241-H362 PolarHBondContact O-NE2 3.42Å; N242-H362 HydrophobicContact CB-CB 3.83Å; D358-H362 WeakPolarHBondContact O-CB 3.26Å; D358-H362 PolarHBondContact O-N 2.91Å; F359-H362 PolarHBondContact O-N 3.03Å; H362-N364 PolarHBondContact O-N 3.46Å; H362-T366 WeakPolarHBondContact O-CB 3.42Å; H362-T366 PolarHBondContact O-N 2.68Å; H362-H367 VanDerWaalsContact O-CB 3.24Å; H362-H367 WeakPolarHBondContact O-CB 3.46Å; H362-H367 PolarHBondContact O-N 3.4Å; H362-V553 PolarHBondContact CE1-O 3.44Å; H362-V553 PolarHBondContact NE2-O 2.67Å
363Q98.8Very high98.9Very high22 Ų228.3 Ų8.310%0.1034%0.038CC..Iπ-helixtrans-63.4-44.3-174.3-68.6-65.7-5500112.3F359 L368F359-Q363 HydrophobicContact CD1-CG 4.13Å; F359-Q363 HydrophobicContact CD2-CG 4.28Å; F359-Q363 HydrophobicContact CE1-CG 3.73Å; F359-Q363 HydrophobicContact CE2-CG 3.88Å; F359-Q363 HydrophobicContact CG-CG 4.41Å; F359-Q363 HydrophobicContact CZ-CG 3.61Å; F359-Q363 WeakPolarHBondContact O-CG 3.34Å; F359-Q363 PolarHBondContact O-N 3.49Å; Q363-L368 WeakPolarHBondContact O-CB 3.27Å; Q363-L368 PolarHBondContact O-N 3.08Å; Q363-L368 VanDerWaalsContact O-N 3.09Å
364N98.8Very high98.8Very high1 Ų18.3 Ų8.31%0.0054%0.038CC..Iπ-helixtrans-90.3-37.8-169.6-61.8-67.4000113.2Q360 H362 L369 F421 T427 H432 L435 V436Q360-N364 WeakPolarHBondContact O-CB 3.34Å; Q360-N364 PolarHBondContact O-N 3.11Å; Q360-N364 PolarHBondContact O-ND2 3.43Å; H362-N364 PolarHBondContact O-N 3.46Å; N364-L369 PolarHBondContact O-N 3.12Å; N364-F421 WeakPolarHBondContact OD1-CZ 3.15Å; N364-T427 PolarHBondContact ND2-OG1 2.94Å; N364-T427 VanDerWaalsContact ND2-OG1 3.12Å; N364-H432 WeakPolarHBondContact OD1-CB 3.06Å; N364-L435 HydrophobicContact CB-CD2 3.76Å; N364-L435 HydrophobicContact CB-CG 4.39Å; N364-V436 HydrophobicContact CB-CG2 4.46Å
365I98.7Very high98.8Very high7 Ų78.3 Ų8.34%0.0364%0.038CC..Iπ-helixtrans-101.3-61.6-174.8-60.5172.2000109.9M289 H361 H367 L369 R370 L435 A439M289-I365 HydrophobicContact CB-CD1 4.28Å; H361-I365 WeakPolarHBondContact NE2-CD1 3.3Å; H361-I365 WeakPolarHBondContact O-CA 3.49Å; H361-I365 WeakPolarHBondContact O-CB 3.39Å; H361-I365 PolarHBondContact O-N 2.99Å; I365-H367 VanDerWaalsContact C-N 3.34Å; I365-H367 PolarHBondContact O-N 2.72Å; I365-L369 PolarHBondContact O-N 3.18Å; I365-R370 HydrophobicContact CG2-CG 4.24Å; I365-R370 WeakPolarHBondContact O-CB 3.29Å; I365-R370 VanDerWaalsContact O-CG 3.22Å; I365-R370 WeakPolarHBondContact O-CG 3.28Å; I365-R370 PolarHBondContact O-N 2.92Å; I365-L435 HydrophobicContact CD1-CD1 3.63Å; I365-L435 HydrophobicContact CD1-CD2 4.28Å; I365-L435 HydrophobicContact CD1-CG 3.78Å; I365-L435 HydrophobicContact CG1-CD1 4.4Å; I365-L435 HydrophobicContact CG1-CD2 4.39Å; I365-L435 HydrophobicContact CG1-CG 4Å; I365-A439 HydrophobicContact CB-CB 4.47Å; I365-A439 HydrophobicContact CD1-CB 3.74Å; I365-A439 HydrophobicContact CG1-CB 3.7Å; I365-A439 HydrophobicContact CG2-CB 4Å
366T98.9Very high98.8Very high1 Ų18 Ų81%0.0064%0.037CC..Iπ-helixtrans-63.9-41.1-173-53.40000112.1N242 V244 H361 H362 V553N242-T366 VanDerWaalsContact OD1-CB 3.28Å; N242-T366 WeakPolarHBondContact OD1-CB 3.41Å; N242-T366 WeakPolarHBondContact OD1-CG2 3.37Å; N242-T366 PolarHBondContact OD1-OG1 2.82Å; V244-T366 HydrophobicContact CG1-CG2 4.22Å; V244-T366 HydrophobicContact CG2-CG2 3.76Å; V244-T366 WeakPolarHBondContact CG2-OG1 3.41Å; H361-T366 PolarHBondContact ND1-OG1 2.77Å; H361-T366 PolarHBondContact O-N 3.18Å; H362-T366 WeakPolarHBondContact O-CB 3.42Å; H362-T366 PolarHBondContact O-N 2.68Å; T366-V553 HydrophobicContact CG2-CB 4.04Å; T366-V553 HydrophobicContact CG2-CG1 3.66Å; T366-V553 HydrophobicContact CG2-CG2 4.33Å
367H98.9Very high98.8Very high11 Ų117.9 Ų7.95%0.0514%0.036CC..Iπ-helixtrans-91.5-68.1-176.9-173.8-150.2000111.4H362 I365 T371 H372 H550 N554H362-H367 VanDerWaalsContact O-CB 3.24Å; H362-H367 WeakPolarHBondContact O-CB 3.46Å; H362-H367 PolarHBondContact O-N 3.4Å; I365-H367 VanDerWaalsContact C-N 3.34Å; I365-H367 PolarHBondContact O-N 2.72Å; H367-T371 PolarHBondContact O-N 3.21Å; H367-T371 PolarHBondContact O-OG1 2.76Å; H367-H372 AromaticContact CD2-CD2 3.76Å; H367-H372 AromaticContact CD2-NE2 3.85Å; H367-H372 AromaticContact CE1-NE2 3.9Å; H367-H372 AromaticContact NE2-CD2 3.68Å; H367-H372 AromaticContact NE2-NE2 3.27Å; H367-H372 PolarHBondContact NE2-NE2 3.01Å; H367-H372 PolarHBondContact O-N 2.97Å; H367-H550 AromaticContact NE2-CD2 3.95Å; H367-H550 AromaticContact NE2-NE2 3.72Å; H367-N554 PolarHBondContact CE1-OD1 3.48Å; H367-N554 PolarHBondContact NE2-OD1 3.12Å
368L98.8Very high98.8Very high18 Ų187.7 Ų7.79%0.0944%0.035CC..Iπ-helixtrans-62.5-61.2-175.3176.164.4000113Q363 H372 L373 I415 V436Q363-L368 WeakPolarHBondContact O-CB 3.27Å; Q363-L368 PolarHBondContact O-N 3.08Å; Q363-L368 VanDerWaalsContact O-N 3.09Å; L368-H372 HydrophobicContact CD1-CB 4.27Å; L368-H372 VanDerWaalsContact O-CB 3.27Å; L368-H372 WeakPolarHBondContact O-CB 3.28Å; L368-H372 PolarHBondContact O-N 3.42Å; L368-L373 HydrophobicContact CD1-CD2 4.19Å; L368-L373 HydrophobicContact CD1-CG 4.23Å; L368-L373 HydrophobicContact CG-CD1 4.42Å; L368-L373 HydrophobicContact CG-CG 4.35Å; L368-L373 WeakPolarHBondContact O-CG 3.19Å; L368-L373 PolarHBondContact O-N 3.48Å; L368-I415 HydrophobicContact CD1-CD1 4.27Å; L368-I415 HydrophobicContact CD2-CD1 3.98Å; L368-I415 HydrophobicContact CD2-CG2 4.39Å; L368-V436 HydrophobicContact CD2-CG2 4.45Å
369L98.8Very high98.8Very high1 Ų17.5 Ų7.51%0.0053%0.034CC..Iπ-helixtrans-66.3-55.3-174.9173.661000112.1P153 N364 I365 T371 L373 M374 V436 A439 L443P153-L369 HydrophobicContact CG-CD1 3.74Å; N364-L369 PolarHBondContact O-N 3.12Å; I365-L369 PolarHBondContact O-N 3.18Å; L369-T371 PolarHBondContact O-N 3.36Å; L369-L373 HydrophobicContact CD1-CB 4.46Å; L369-L373 HydrophobicContact CD1-CD1 4.14Å; L369-M374 WeakPolarHBondContact O-CG 3.41Å; L369-M374 PolarHBondContact O-N 3.29Å; L369-V436 HydrophobicContact CB-CG1 4.38Å; L369-V436 HydrophobicContact CD1-CG1 4.11Å; L369-V436 HydrophobicContact CD2-CG1 4.35Å; L369-A439 HydrophobicContact CD2-CB 3.59Å; L369-L443 HydrophobicContact CD1-CD2 4.29Å; L369-L443 HydrophobicContact CG-CD2 4.42Å
370R98.7Very high98.8Very high43 Ų437.3 Ų7.316%0.1623%0.033CC..Iπ-helixtrans-79.9-14.5-165.4-65.417974.8808.5114.4I365 L443 S447 T545I365-R370 HydrophobicContact CG2-CG 4.24Å; I365-R370 WeakPolarHBondContact O-CB 3.29Å; I365-R370 VanDerWaalsContact O-CG 3.22Å; I365-R370 WeakPolarHBondContact O-CG 3.28Å; I365-R370 PolarHBondContact O-N 2.92Å; R370-L443 HydrophobicContact CG-CD1 4.47Å; R370-L443 VanDerWaalsContact NH1-CD1 3.27Å; R370-S447 PolarHBondContact NH1-OG 3.46Å; R370-S447 VanDerWaalsContact NH2-C 3.3Å; R370-S447 VanDerWaalsContact NH2-CB 3.32Å; R370-S447 PolarHBondContact NH2-O 2.82Å; R370-S447 PolarHBondContact NH2-OG 2.77Å; R370-T545 WeakPolarHBondContact O-CG2 3.42Å
371T98.9Very high98.8Very high0 Ų07.3 Ų7.30%03%0.033CC..Iπ-helixtrans-116.5-63.4171.769.70000111.5H367 L369 T375 Q549 H550 V553H367-T371 PolarHBondContact O-N 3.21Å; H367-T371 PolarHBondContact O-OG1 2.76Å; L369-T371 PolarHBondContact O-N 3.36Å; T371-T375 VanDerWaalsContact O-CB 3.25Å; T371-T375 WeakPolarHBondContact O-CB 3.38Å; T371-T375 PolarHBondContact O-N 3.24Å; T371-T375 PolarHBondContact O-OG1 3.49Å; T371-Q549 HydrophobicContact CG2-CB 4.4Å; T371-Q549 HydrophobicContact CG2-CG 3.76Å; T371-H550 HydrophobicContact CG2-CB 4.26Å; T371-V553 HydrophobicContact CG2-CG2 4.28Å
372H98.9Very high98.8Very high18 Ų186.5 Ų6.58%0.0833%0.03CC..Iπ-helixtrans-58.8-57.9-174.5-80.9-98.8000112.8H367 L368 T375 E376 N407 H550 V671H367-H372 AromaticContact CD2-CD2 3.76Å; H367-H372 AromaticContact CD2-NE2 3.85Å; H367-H372 AromaticContact CE1-NE2 3.9Å; H367-H372 AromaticContact NE2-CD2 3.68Å; H367-H372 AromaticContact NE2-NE2 3.27Å; H367-H372 PolarHBondContact NE2-NE2 3.01Å; H367-H372 PolarHBondContact O-N 2.97Å; L368-H372 HydrophobicContact CD1-CB 4.27Å; L368-H372 VanDerWaalsContact O-CB 3.27Å; L368-H372 WeakPolarHBondContact O-CB 3.28Å; L368-H372 PolarHBondContact O-N 3.42Å; H372-T375 PolarHBondContact O-N 3.45Å; H372-E376 WeakPolarHBondContact O-CB 3.23Å; H372-E376 PolarHBondContact O-N 3.47Å; H372-N407 VanDerWaalsContact C-ND2 3.29Å; H372-N407 WeakPolarHBondContact CB-OD1 3.5Å; H372-N407 PolarHBondContact ND1-OD1 3.16Å; H372-N407 PolarHBondContact O-ND2 2.98Å; H372-H550 AromaticContact NE2-NE2 3.68Å; H372-V671 WeakPolarHBondContact CE1-CG1 3.48Å; H372-V671 VanDerWaalsContact ND1-CG1 3.3Å; H372-V671 WeakPolarHBondContact ND1-CG1 3.22Å
373L98.8Very high98.8Very high11 Ų117.2 Ų7.26%0.0583%0.033CC..Iπ-helixtrans-68.5-39.2-174.2-58.5-173.7000111.6F152 L368 L369 E376 V377 V436F152-L373 HydrophobicContact CD1-CD1 3.69Å; F152-L373 HydrophobicContact CE1-CD1 3.95Å; L368-L373 HydrophobicContact CD1-CD2 4.19Å; L368-L373 HydrophobicContact CD1-CG 4.23Å; L368-L373 HydrophobicContact CG-CD1 4.42Å; L368-L373 HydrophobicContact CG-CG 4.35Å; L368-L373 WeakPolarHBondContact O-CG 3.19Å; L368-L373 PolarHBondContact O-N 3.48Å; L369-L373 HydrophobicContact CD1-CB 4.46Å; L369-L373 HydrophobicContact CD1-CD1 4.14Å; L373-E376 PolarHBondContact O-N 3.4Å; L373-V377 WeakPolarHBondContact O-CG2 3.18Å; L373-V377 PolarHBondContact O-N 2.91Å; L373-V436 HydrophobicContact CD1-CG1 4.43Å
374M98.6Very high98.8Very high0 Ų07.5 Ų7.50%03%0.033CC..Hα-helixtrans-66.9-41.9177.1-71.8-48-51.900113.3L369 E376 V377 F378 L443 L448 M517 F525L369-M374 WeakPolarHBondContact O-CG 3.41Å; L369-M374 PolarHBondContact O-N 3.29Å; M374-E376 VanDerWaalsContact C-N 3.28Å; M374-E376 PolarHBondContact O-N 2.86Å; M374-V377 HydrophobicContact CE-CB 4.47Å; M374-V377 HydrophobicContact CE-CG1 4.44Å; M374-V377 WeakPolarHBondContact O-CB 3.39Å; M374-V377 PolarHBondContact O-N 3.35Å; M374-F378 HydrophobicContact CB-CE2 4.41Å; M374-F378 HydrophobicContact CE-CE2 4.36Å; M374-F378 HydrophobicContact CE-CZ 4.18Å; M374-F378 WeakPolarHBondContact O-CD2 3.39Å; M374-F378 WeakPolarHBondContact O-CG 3.38Å; M374-F378 PolarHBondContact O-N 3.06Å; M374-L443 HydrophobicContact CG-CD2 3.98Å; M374-L443 HydrophobicContact SD-CD2 3.53Å; M374-L443 VanDerWaalsContact SD-CD2 3.53Å; M374-L448 HydrophobicContact CE-CD1 4.12Å; M374-L448 HydrophobicContact CG-CD1 4.34Å; M374-M517 HydrophobicContact CE-CG 4.47Å; M374-M517 HydrophobicContact CE-SD 3.75Å; M374-M517 HydrophobicContact SD-CE 4.49Å; M374-M517 HydrophobicContact SD-SD 3.62Å; M374-M517 VanDerWaalsContact SD-SD 3.62Å; M374-F525 HydrophobicContact CE-CE1 3.83Å; M374-F525 HydrophobicContact CE-CZ 3.51Å
375T98.9Very high98.8Very high0 Ų08.1 Ų8.10%04%0.036CC..Hα-helixtrans-64.5-35174.5-620000111.5T371 H372 F378 G379 I400 T403 A546 V671T371-T375 VanDerWaalsContact O-CB 3.25Å; T371-T375 WeakPolarHBondContact O-CB 3.38Å; T371-T375 PolarHBondContact O-N 3.24Å; T371-T375 PolarHBondContact O-OG1 3.49Å; H372-T375 PolarHBondContact O-N 3.45Å; T375-F378 PolarHBondContact O-N 3.32Å; T375-G379 PolarHBondContact O-N 2.95Å; T375-I400 HydrophobicContact CG2-CD1 3.72Å; T375-T403 HydrophobicContact CG2-CG2 3.54Å; T375-A546 HydrophobicContact CG2-CB 3.54Å; T375-A546 WeakPolarHBondContact OG1-CA 3.11Å; T375-V671 HydrophobicContact CG2-CG2 4.12Å
376E98.9Very high98.8Very high1 Ų17.8 Ų7.81%0.0053%0.034CC..Hα-helixtrans-65.3-41.7173.2170.3171.7-156.800112.2I156 H372 L373 M374 F378 G379 I380 T403 I404 N407 R411I156-E376 PolarHBondContact N-OE1 2.87Å; H372-E376 WeakPolarHBondContact O-CB 3.23Å; H372-E376 PolarHBondContact O-N 3.47Å; L373-E376 PolarHBondContact O-N 3.4Å; M374-E376 VanDerWaalsContact C-N 3.28Å; M374-E376 PolarHBondContact O-N 2.86Å; E376-F378 PolarHBondContact O-N 3.31Å; E376-G379 PolarHBondContact O-N 3.1Å; E376-G379 VanDerWaalsContact O-N 3.16Å; E376-I380 HydrophobicContact CG-CD1 3.56Å; E376-I380 HydrophobicContact CG-CG1 4.2Å; E376-I380 WeakPolarHBondContact O-CG1 3.22Å; E376-I380 PolarHBondContact O-N 3.16Å; E376-T403 HydrophobicContact CB-CG2 4.21Å; E376-I404 HydrophobicContact CG-CG1 4.3Å; E376-N407 VanDerWaalsContact CB-ND2 3.3Å; E376-N407 WeakPolarHBondContact CB-ND2 3.29Å; E376-N407 WeakPolarHBondContact OE2-CB 3.49Å; E376-N407 PolarHBondContact OE2-ND2 2.78Å; E376-R411 IonicContact OE1-CZ 3.64Å; E376-R411 IonicContact OE1-NH1 3.73Å; E376-R411 PolarHBondContact OE1-NH1 3.09Å; E376-R411 IonicContact OE1-NH2 2.73Å; E376-R411 PolarHBondContact OE1-NH2 3.23Å; E376-R411 IonicContact OE2-CZ 3.58Å; E376-R411 IonicContact OE2-NH1 2.68Å; E376-R411 PolarHBondContact OE2-NH1 3.4Å; E376-R411 IonicContact OE2-NH2 2.74Å; E376-R411 PolarHBondContact OE2-NH2 2.94Å
377V98.9Very high98.8Very high0 Ų07.8 Ų7.80%03%0.034CC..Hα-helixtrans-56.5-50173.6164.10000110.8W145 P153 L373 M374 G379 I380 A381 V512W145-V377 HydrophobicContact CH2-CB 4.36Å; W145-V377 HydrophobicContact CH2-CG1 4.12Å; W145-V377 VanDerWaalsContact CH2-O 3.32Å; W145-V377 WeakPolarHBondContact CH2-O 3.3Å; W145-V377 HydrophobicContact CZ3-CG2 4.31Å; P153-V377 HydrophobicContact CB-CG2 3.78Å; L373-V377 WeakPolarHBondContact O-CG2 3.18Å; L373-V377 PolarHBondContact O-N 2.91Å; M374-V377 HydrophobicContact CE-CB 4.47Å; M374-V377 HydrophobicContact CE-CG1 4.44Å; M374-V377 WeakPolarHBondContact O-CB 3.39Å; M374-V377 PolarHBondContact O-N 3.35Å; V377-G379 VanDerWaalsContact C-N 3.3Å; V377-G379 PolarHBondContact O-N 3.37Å; V377-I380 PolarHBondContact O-N 3.31Å; V377-A381 WeakPolarHBondContact O-CB 3.25Å; V377-A381 PolarHBondContact O-N 3Å; V377-A381 VanDerWaalsContact O-N 3.16Å; V377-V512 HydrophobicContact CG1-CB 4.28Å; V377-V512 HydrophobicContact CG1-CG1 3.75Å; V377-V512 HydrophobicContact CG1-CG2 4.27Å
378F98.9Very high98.8Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-61.1-40.9176.3-63-53.4000111.9M374 T375 E376 M382 I400 L448 V512 F525 Y538 V541 V542M374-F378 HydrophobicContact CB-CE2 4.41Å; M374-F378 HydrophobicContact CE-CE2 4.36Å; M374-F378 HydrophobicContact CE-CZ 4.18Å; M374-F378 WeakPolarHBondContact O-CD2 3.39Å; M374-F378 WeakPolarHBondContact O-CG 3.38Å; M374-F378 PolarHBondContact O-N 3.06Å; T375-F378 PolarHBondContact O-N 3.32Å; E376-F378 PolarHBondContact O-N 3.31Å; F378-M382 VanDerWaalsContact O-CB 3.29Å; F378-M382 WeakPolarHBondContact O-CB 3.25Å; F378-M382 PolarHBondContact O-N 3.09Å; F378-I400 HydrophobicContact CB-CD1 4.47Å; F378-L448 HydrophobicContact CZ-CD1 4.45Å; F378-V512 HydrophobicContact CD1-CG1 4.16Å; F378-V512 HydrophobicContact CD1-CG2 3.94Å; F378-V512 HydrophobicContact CE1-CG1 3.93Å; F378-V512 HydrophobicContact CE1-CG2 4.47Å; F378-F525 HydrophobicContact CE1-CE1 4.32Å; F378-F525 HydrophobicContact CZ-CE1 4.26Å; F378-Y538 HydrophobicContact CD1-CE1 4.41Å; F378-Y538 HydrophobicContact CE1-CE1 4.17Å; F378-V541 HydrophobicContact CZ-CG1 4.31Å; F378-V542 HydrophobicContact CB-CG1 3.81Å; F378-V542 HydrophobicContact CB-CG2 4.22Å; F378-V542 HydrophobicContact CD1-CG2 3.62Å; F378-V542 HydrophobicContact CD2-CB 4.27Å; F378-V542 HydrophobicContact CD2-CG1 4.04Å; F378-V542 HydrophobicContact CD2-CG2 3.9Å; F378-V542 HydrophobicContact CE1-CG2 3.84Å; F378-V542 HydrophobicContact CE2-CG2 4.12Å; F378-V542 HydrophobicContact CG-CB 4.34Å; F378-V542 HydrophobicContact CG-CG1 3.97Å; F378-V542 HydrophobicContact CG-CG2 3.66Å; F378-V542 HydrophobicContact CZ-CG2 4.1Å
379G98.8Very high98.8Very high0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-63.3-47.2179.900000113.6T375 E376 V377 M382 F383 I400T375-G379 PolarHBondContact O-N 2.95Å; E376-G379 PolarHBondContact O-N 3.1Å; E376-G379 VanDerWaalsContact O-N 3.16Å; V377-G379 VanDerWaalsContact C-N 3.3Å; V377-G379 PolarHBondContact O-N 3.37Å; G379-M382 WeakPolarHBondContact O-CB 3.16Å; G379-M382 PolarHBondContact O-N 3.45Å; G379-F383 WeakPolarHBondContact O-CD2 3.39Å; G379-F383 PolarHBondContact O-N 3.43Å; G379-I400 VanDerWaalsContact CA-CG2 3.41Å
380I98.9Very high98.8Very high0 Ų08.2 Ų8.20%04%0.041CC..Hα-helixtrans-64.4-45.6179.7-65.8163.4000110.2W145 S155 I156 E376 V377 M382 F383 R384 I404W145-I380 HydrophobicContact CD2-CG2 3.7Å; W145-I380 HydrophobicContact CE3-CB 4.19Å; W145-I380 HydrophobicContact CE3-CD1 3.88Å; W145-I380 HydrophobicContact CE3-CG2 3.7Å; W145-I380 HydrophobicContact CH2-CB 3.62Å; W145-I380 HydrophobicContact CH2-CD1 4.37Å; W145-I380 HydrophobicContact CH2-CG2 3.71Å; W145-I380 HydrophobicContact CZ2-CB 4.02Å; W145-I380 HydrophobicContact CZ2-CG2 3.67Å; W145-I380 HydrophobicContact CZ3-CB 3.7Å; W145-I380 HydrophobicContact CZ3-CD1 3.59Å; W145-I380 HydrophobicContact CZ3-CG1 4.26Å; W145-I380 HydrophobicContact CZ3-CG2 3.72Å; S155-I380 VanDerWaalsContact C-CD1 3.42Å; I156-I380 HydrophobicContact CB-CD1 3.95Å; I156-I380 HydrophobicContact CB-CG1 4.42Å; I156-I380 HydrophobicContact CD1-CG1 4.31Å; E376-I380 HydrophobicContact CG-CD1 3.56Å; E376-I380 HydrophobicContact CG-CG1 4.2Å; E376-I380 WeakPolarHBondContact O-CG1 3.22Å; E376-I380 PolarHBondContact O-N 3.16Å; V377-I380 PolarHBondContact O-N 3.31Å; I380-M382 VanDerWaalsContact C-N 3.34Å; I380-M382 PolarHBondContact O-N 3Å; I380-F383 PolarHBondContact O-N 3.5Å; I380-R384 VanDerWaalsContact CG2-CD 3.47Å; I380-R384 HydrophobicContact CG2-CG 4.27Å; I380-R384 WeakPolarHBondContact O-CB 3.21Å; I380-R384 WeakPolarHBondContact O-CD 3.23Å; I380-R384 WeakPolarHBondContact O-CG 3.5Å; I380-R384 PolarHBondContact O-N 2.9Å; I380-I404 HydrophobicContact CG1-CD1 3.85Å; I380-I404 HydrophobicContact CG1-CG1 4.35Å
381A98.9Very high98.8Very high0 Ų06.2 Ų6.20%03%0.034CC..Hα-helixtrans-60.7-42.7176.100000111.9W145 V377 R384 Q385 F508 D511 V512W145-A381 HydrophobicContact CZ2-CB 4.13Å; V377-A381 WeakPolarHBondContact O-CB 3.25Å; V377-A381 PolarHBondContact O-N 3Å; V377-A381 VanDerWaalsContact O-N 3.16Å; A381-R384 PolarHBondContact O-N 3.16Å; A381-Q385 WeakPolarHBondContact O-CB 3.13Å; A381-Q385 WeakPolarHBondContact O-CG 3.14Å; A381-Q385 PolarHBondContact O-N 3.31Å; A381-F508 HydrophobicContact CB-CD2 3.63Å; A381-F508 HydrophobicContact CB-CE2 3.73Å; A381-D511 HydrophobicContact CB-CB 4.08Å; A381-V512 HydrophobicContact CB-CG2 3.45Å; A381-V512 VanDerWaalsContact CB-CG2 3.45Å
382M98.9Very high98.8Very high0 Ų06.2 Ų6.20%03%0.034CC..Hα-helixtrans-58-51.1175.6175.9-160.471.500110.6F378 G379 I380 R384 L386 F393 L396 I397 I400 F508F378-M382 VanDerWaalsContact O-CB 3.29Å; F378-M382 WeakPolarHBondContact O-CB 3.25Å; F378-M382 PolarHBondContact O-N 3.09Å; G379-M382 WeakPolarHBondContact O-CB 3.16Å; G379-M382 PolarHBondContact O-N 3.45Å; I380-M382 VanDerWaalsContact C-N 3.34Å; I380-M382 PolarHBondContact O-N 3Å; M382-R384 VanDerWaalsContact C-N 3.29Å; M382-R384 PolarHBondContact O-N 2.88Å; M382-L386 HydrophobicContact CG-CD1 4.2Å; M382-L386 WeakPolarHBondContact O-CB 3.29Å; M382-L386 PolarHBondContact O-N 3.04Å; M382-F393 HydrophobicContact CE-CD2 4.39Å; M382-F393 HydrophobicContact CE-CE2 4.04Å; M382-F393 HydrophobicContact CG-CD2 3.9Å; M382-F393 HydrophobicContact CG-CE2 4.43Å; M382-F393 HydrophobicContact SD-CD2 4.21Å; M382-F393 HydrophobicContact SD-CE2 4.42Å; M382-L396 HydrophobicContact CG-CB 4.38Å; M382-L396 HydrophobicContact SD-CB 3.51Å; M382-L396 VanDerWaalsContact SD-CB 3.51Å; M382-I397 HydrophobicContact CE-CD1 3.65Å; M382-I400 HydrophobicContact CE-CB 4.03Å; M382-I400 HydrophobicContact CE-CG1 4.05Å; M382-I400 HydrophobicContact CE-CG2 4.03Å; M382-I400 HydrophobicContact SD-CG1 4.04Å; M382-F508 HydrophobicContact CB-CE2 4.12Å
383F98.8Very high98.8Very high17 Ų175.8 Ų5.88%0.0753%0.032CC..Hα-helixtrans-61.4-38177.9-80.6-66.2000112R139 Y143 I168 G379 I380 F393 I397 I400 I404R139-F383 VanDerWaalsContact CB-O 3.28Å; R139-F383 WeakPolarHBondContact CB-O 3.33Å; R139-F383 WeakPolarHBondContact CD-O 3.41Å; Y143-F383 HydrophobicContact CD1-CB 4.16Å; Y143-F383 HydrophobicContact CD1-CG 4.34Å; Y143-F383 HydrophobicContact CD2-CB 3.82Å; Y143-F383 HydrophobicContact CD2-CG 4.47Å; Y143-F383 HydrophobicContact CE1-CB 4.46Å; Y143-F383 HydrophobicContact CE1-CD1 4.4Å; Y143-F383 HydrophobicContact CE1-CG 4.24Å; Y143-F383 HydrophobicContact CE2-CB 4.16Å; Y143-F383 HydrophobicContact CE2-CD1 4.2Å; Y143-F383 HydrophobicContact CE2-CG 4.38Å; Y143-F383 HydrophobicContact CG-CB 3.83Å; Y143-F383 HydrophobicContact CG-CG 4.46Å; I168-F383 HydrophobicContact CG2-CD2 4.27Å; I168-F383 HydrophobicContact CG2-CE1 4.09Å; I168-F383 HydrophobicContact CG2-CE2 3.54Å; I168-F383 HydrophobicContact CG2-CZ 3.43Å; I168-F383 VanDerWaalsContact CG2-CZ 3.43Å; G379-F383 WeakPolarHBondContact O-CD2 3.39Å; G379-F383 PolarHBondContact O-N 3.43Å; I380-F383 PolarHBondContact O-N 3.5Å; F383-F393 HydrophobicContact CD1-CE2 4.08Å; F383-F393 HydrophobicContact CE1-CE2 4.1Å; F383-F393 HydrophobicContact CE1-CZ 4.3Å; F383-I397 HydrophobicContact CE1-CD1 3.84Å; F383-I397 HydrophobicContact CE2-CD1 4.41Å; F383-I397 HydrophobicContact CZ-CD1 3.5Å; F383-I397 VanDerWaalsContact CZ-CD1 3.5Å; F383-I400 HydrophobicContact CE2-CG2 4.07Å; F383-I404 HydrophobicContact CD2-CD1 4.01Å; F383-I404 HydrophobicContact CE2-CD1 4.14Å
384R98.8Very high98.8Very high29 Ų295.7 Ų5.711%0.1093%0.031CC..Hα-helixtrans-75-33.3-176.6-72.7168.156.873.6-2.1114.7R140 Y143 W145 I380 A381 M382 D511R140-R384 HydrophobicContact CG-CB 4.47Å; R140-R384 WeakPolarHBondContact CG-O 3.17Å; R140-R384 PolarHBondContact O-NH1 3.45Å; Y143-R384 WeakPolarHBondContact O-CD 3.48Å; Y143-R384 WeakPolarHBondContact O-CG 3.48Å; Y143-R384 PolarHBondContact O-NH1 3.39Å; W145-R384 VanDerWaalsContact NE1-NE 3.14Å; I380-R384 VanDerWaalsContact CG2-CD 3.47Å; I380-R384 HydrophobicContact CG2-CG 4.27Å; I380-R384 WeakPolarHBondContact O-CB 3.21Å; I380-R384 WeakPolarHBondContact O-CD 3.23Å; I380-R384 WeakPolarHBondContact O-CG 3.5Å; I380-R384 PolarHBondContact O-N 2.9Å; A381-R384 PolarHBondContact O-N 3.16Å; M382-R384 VanDerWaalsContact C-N 3.29Å; M382-R384 PolarHBondContact O-N 2.88Å; R384-D511 WeakPolarHBondContact CB-OD2 3.32Å; R384-D511 WeakPolarHBondContact CD-OD2 3.45Å; R384-D511 IonicContact CZ-OD2 2.67Å; R384-D511 IonicContact NE-OD1 3.64Å; R384-D511 IonicContact NE-OD2 3.58Å; R384-D511 PolarHBondContact NE-OD2 3.27Å; R384-D511 IonicContact NH2-OD1 3.59Å; R384-D511 IonicContact NH2-OD2 3.53Å
385Q98.9Very high98.8Very high14 Ų145.9 Ų5.97%0.0653%0.032CC..Hα-helixtrans-117.4-16.9-166-53-55.6-20.200114.5L136 R140 A381 A507 F508 D511L136-Q385 VanDerWaalsContact CD2-C 3.49Å; L136-Q385 WeakPolarHBondContact CD2-O 3.09Å; R140-Q385 VanDerWaalsContact NE-OE1 3.14Å; A381-Q385 WeakPolarHBondContact O-CB 3.13Å; A381-Q385 WeakPolarHBondContact O-CG 3.14Å; A381-Q385 PolarHBondContact O-N 3.31Å; Q385-A507 HydrophobicContact CB-CB 4.22Å; Q385-A507 HydrophobicContact CG-CB 4.21Å; Q385-F508 HydrophobicContact CB-CB 3.98Å; Q385-D511 HydrophobicContact CG-CB 3.94Å; Q385-D511 WeakPolarHBondContact CG-OD2 3.46Å; Q385-D511 PolarHBondContact NE2-OD2 2.92Å
386L98.9Very high98.9Very high0 Ų05.9 Ų5.90%03%0.032CC..  trans-113.2118.4-178.5-54.6179.6000110.7R139 M382 H390 V392 F393 E504 I505 F508R139-L386 PolarHBondContact NH1-O 3.11Å; M382-L386 HydrophobicContact CG-CD1 4.2Å; M382-L386 WeakPolarHBondContact O-CB 3.29Å; M382-L386 PolarHBondContact O-N 3.04Å; L386-H390 HydrophobicContact CB-CB 4.41Å; L386-V392 HydrophobicContact CD1-CB 3.99Å; L386-V392 HydrophobicContact CD1-CG1 3.64Å; L386-F393 HydrophobicContact CB-CB 3.92Å; L386-F393 HydrophobicContact CB-CD2 4.41Å; L386-F393 WeakPolarHBondContact O-CD2 3.47Å; L386-E504 HydrophobicContact CD2-CB 4.07Å; L386-I505 HydrophobicContact CD1-CD1 4.43Å; L386-I505 HydrophobicContact CD2-CD1 3.88Å; L386-I505 HydrophobicContact CD2-CG1 4.48Å; L386-F508 HydrophobicContact CD1-CD1 4.45Å; L386-F508 HydrophobicContact CD1-CD2 4.37Å; L386-F508 HydrophobicContact CD1-CG 4.19Å; L386-F508 HydrophobicContact CD2-CB 4.04Å; L386-F508 HydrophobicContact CG-CB 4.21Å; L386-F508 HydrophobicContact CG-CG 4.37Å
387P98.7Very high98.8Very high0 Ų07 Ų70%04%0.038CC..  trans-70.2160.2176.231.2-35000111.1R132 E135 L136 V389 H390 F393 E504R132-P387 HydrophobicContact CG-CB 4.26Å; R132-P387 HydrophobicContact CG-CG 3.95Å; E135-P387 VanDerWaalsContact OE2-CB 3.23Å; E135-P387 WeakPolarHBondContact OE2-CB 3.45Å; L136-P387 HydrophobicContact CD2-CB 4.34Å; L136-P387 HydrophobicContact CG-CB 4.45Å; P387-V389 HydrophobicContact CB-CG1 4.36Å; P387-V389 HydrophobicContact CG-CG1 4.16Å; P387-V389 PolarHBondContact O-N 2.86Å; P387-H390 HydrophobicContact CG-CB 4.04Å; P387-H390 VanDerWaalsContact O-CB 3.3Å; P387-H390 WeakPolarHBondContact O-CB 3.38Å; P387-H390 PolarHBondContact O-N 3.45Å; P387-F393 VanDerWaalsContact O-CB 3.31Å; P387-F393 WeakPolarHBondContact O-CB 3.49Å; P387-E504 VanDerWaalsContact CD-CD 3.47Å; P387-E504 WeakPolarHBondContact CD-OE2 3.32Å; P387-E504 WeakPolarHBondContact CG-OE2 3.44Å
388A98.6Very high98.8Very high34 Ų348.3 Ų8.328%0.2815%0.046SC..THydrogen-bonded Turntrans-58.8-25.2-17500000114.3E135 F393E135-A388 WeakPolarHBondContact OE1-CB 3.48Å; E135-A388 PolarHBondContact OE1-N 3.4Å; E135-A388 VanDerWaalsContact OE1-N 3.09Å; E135-A388 PolarHBondContact OE2-N 3.47Å; A388-F393 HydrophobicContact CB-CD1 4.4Å; A388-F393 HydrophobicContact CB-CE1 4.2Å
389V98.6Very high98.8Very high5 Ų58.3 Ų8.33%0.035%0.046CC..THydrogen-bonded Turntrans-80-17.317972.30000113.3R113 R116 A117 F118 P387 K394R113-V389 HydrophobicContact CB-CB 4.48Å; R113-V389 HydrophobicContact CB-CG2 4.5Å; R113-V389 HydrophobicContact CG-CB 4.39Å; R113-V389 HydrophobicContact CG-CG2 3.98Å; R116-V389 WeakPolarHBondContact O-CG2 3.23Å; A117-V389 VanDerWaalsContact CA-O 3.27Å; A117-V389 WeakPolarHBondContact CA-O 3.03Å; F118-V389 HydrophobicContact CB-CG2 4.09Å; F118-V389 HydrophobicContact CD2-CG2 3.75Å; F118-V389 HydrophobicContact CG-CG2 4.42Å; F118-V389 PolarHBondContact N-O 3.42Å; F118-V389 VanDerWaalsContact N-O 3.13Å; P387-V389 HydrophobicContact CB-CG1 4.36Å; P387-V389 HydrophobicContact CG-CG1 4.16Å; P387-V389 PolarHBondContact O-N 2.86Å; V389-K394 VanDerWaalsContact O-CE 3.31Å; V389-K394 WeakPolarHBondContact O-CE 3.32Å
390H98.9Very high98.8Very high0 Ų08.5 Ų8.50%05%0.047CC..SBendtrans-68.3134.4-175.5-166.2-82.7000111.2L386 P387 V392 F393 K394 Y493 D502 E504L386-H390 HydrophobicContact CB-CB 4.41Å; P387-H390 HydrophobicContact CG-CB 4.04Å; P387-H390 VanDerWaalsContact O-CB 3.3Å; P387-H390 WeakPolarHBondContact O-CB 3.38Å; P387-H390 PolarHBondContact O-N 3.45Å; H390-V392 VanDerWaalsContact C-N 3.28Å; H390-V392 WeakPolarHBondContact ND1-CB 3.05Å; H390-V392 PolarHBondContact ND1-N 3.19Å; H390-V392 PolarHBondContact O-N 2.93Å; H390-F393 HydrophobicContact CB-CB 4.19Å; H390-F393 WeakPolarHBondContact O-CB 3.4Å; H390-F393 PolarHBondContact O-N 3.49Å; H390-K394 WeakPolarHBondContact O-CG 3.5Å; H390-K394 PolarHBondContact O-N 3.32Å; H390-K394 VanDerWaalsContact O-N 3.08Å; H390-Y493 PolarHBondContact CE1-OH 3.19Å; H390-Y493 PolarHBondContact NE2-OH 2.7Å; H390-D502 IonicContact CE1-OD2 3.36Å; H390-D502 IonicContact NE2-OD1 3.7Å; H390-D502 IonicContact NE2-OD2 3.93Å; H390-D502 PolarHBondContact NE2-OD2 3.23Å; H390-D502 VanDerWaalsContact NE2-OD2 3.1Å; H390-E504 IonicContact CD2-OE2 3.78Å; H390-E504 PolarHBondContact CD2-OE2 3.37Å; H390-E504 IonicContact CG-OE2 3.94Å
391P98.9Very high98.7Very high1 Ų111.8 Ų11.81%0.0066%0.06CC..Hα-helixtrans-58-39.3-178.420.9-32.2000112.6A117 L119 F393 K394 L395 Y492 F625A117-P391 HydrophobicContact CB-CB 3.78Å; A117-P391 HydrophobicContact CB-CG 4.37Å; L119-P391 HydrophobicContact CD2-CG 3.57Å; P391-F393 PolarHBondContact O-N 3.37Å; P391-K394 PolarHBondContact O-N 2.82Å; P391-L395 WeakPolarHBondContact O-CB 3.43Å; P391-L395 PolarHBondContact O-N 2.87Å; P391-Y492 HydrophobicContact CB-CD1 4.25Å; P391-Y492 HydrophobicContact CB-CD2 3.52Å; P391-Y492 HydrophobicContact CB-CE2 3.87Å; P391-Y492 HydrophobicContact CB-CG 3.73Å; P391-Y492 HydrophobicContact CG-CD1 4.46Å; P391-Y492 HydrophobicContact CG-CD2 4.25Å; P391-Y492 HydrophobicContact CG-CG 3.99Å; P391-F625 HydrophobicContact CB-CE1 4.26Å; P391-F625 HydrophobicContact CB-CZ 4.37Å; P391-F625 VanDerWaalsContact O-CZ 3.25Å; P391-F625 WeakPolarHBondContact O-CZ 3.48Å
392V98.9Very high98.6Very high1 Ų113.2 Ų13.21%0.0067%0.066CC..Hα-helixtrans-67.7-33176.8178.30000112.6L386 H390 L395 L396 I489 I505 L539L386-V392 HydrophobicContact CD1-CB 3.99Å; L386-V392 HydrophobicContact CD1-CG1 3.64Å; H390-V392 VanDerWaalsContact C-N 3.28Å; H390-V392 WeakPolarHBondContact ND1-CB 3.05Å; H390-V392 PolarHBondContact ND1-N 3.19Å; H390-V392 PolarHBondContact O-N 2.93Å; V392-L395 PolarHBondContact O-N 3.26Å; V392-L396 HydrophobicContact CG1-CD1 3.75Å; V392-L396 HydrophobicContact CG1-CG 4.05Å; V392-L396 WeakPolarHBondContact O-CB 3.49Å; V392-L396 VanDerWaalsContact O-CG 3.31Å; V392-L396 WeakPolarHBondContact O-CG 3.42Å; V392-L396 PolarHBondContact O-N 3.41Å; V392-I489 HydrophobicContact CG2-CD1 4.17Å; V392-I505 HydrophobicContact CB-CD1 3.82Å; V392-I505 HydrophobicContact CG1-CD1 3.95Å; V392-I505 HydrophobicContact CG2-CD1 3.66Å; V392-L539 HydrophobicContact CG1-CD1 4.06Å; V392-L539 HydrophobicContact CG1-CD2 3.5Å; V392-L539 VanDerWaalsContact CG1-CD2 3.5Å; V392-L539 HydrophobicContact CG1-CG 4.44Å; V392-L539 HydrophobicContact CG2-CD1 3.86Å
393F98.9Very high98.6Very high9 Ų913.2 Ų13.24%0.0397%0.066CC..Hα-helixtrans-63.6-48.9172.2177.9-88.2000110.5M382 F383 L386 P387 A388 H390 P391 L395 L396 I397M382-F393 HydrophobicContact CE-CD2 4.39Å; M382-F393 HydrophobicContact CE-CE2 4.04Å; M382-F393 HydrophobicContact CG-CD2 3.9Å; M382-F393 HydrophobicContact CG-CE2 4.43Å; M382-F393 HydrophobicContact SD-CD2 4.21Å; M382-F393 HydrophobicContact SD-CE2 4.42Å; F383-F393 HydrophobicContact CD1-CE2 4.08Å; F383-F393 HydrophobicContact CE1-CE2 4.1Å; F383-F393 HydrophobicContact CE1-CZ 4.3Å; L386-F393 HydrophobicContact CB-CB 3.92Å; L386-F393 HydrophobicContact CB-CD2 4.41Å; L386-F393 WeakPolarHBondContact O-CD2 3.47Å; P387-F393 VanDerWaalsContact O-CB 3.31Å; P387-F393 WeakPolarHBondContact O-CB 3.49Å; A388-F393 HydrophobicContact CB-CD1 4.4Å; A388-F393 HydrophobicContact CB-CE1 4.2Å; H390-F393 HydrophobicContact CB-CB 4.19Å; H390-F393 WeakPolarHBondContact O-CB 3.4Å; H390-F393 PolarHBondContact O-N 3.49Å; P391-F393 PolarHBondContact O-N 3.37Å; F393-L395 PolarHBondContact O-N 3.16Å; F393-L396 PolarHBondContact O-N 3.45Å; F393-I397 HydrophobicContact CE1-CB 4.13Å; F393-I397 HydrophobicContact CE1-CG1 4.22Å; F393-I397 HydrophobicContact CE1-CG2 4.31Å; F393-I397 HydrophobicContact CE2-CD1 4.23Å; F393-I397 HydrophobicContact CZ-CB 4.22Å; F393-I397 HydrophobicContact CZ-CD1 3.86Å; F393-I397 HydrophobicContact CZ-CG1 4.01Å; F393-I397 WeakPolarHBondContact O-CB 3.47Å; F393-I397 WeakPolarHBondContact O-CG2 3.49Å; F393-I397 PolarHBondContact O-N 2.95Å
394K98.9Very high98.6Very high9 Ų912.5 Ų12.54%0.0396%0.063CC..Hα-helixtrans-60.7-34.8179.1-62.5174.9178.9-71.80112.2G115 A117 V389 H390 P391 H624 F625G115-K394 PolarHBondContact O-NZ 3.25Å; G115-K394 VanDerWaalsContact O-NZ 3.12Å; A117-K394 HydrophobicContact CB-CD 3.79Å; V389-K394 VanDerWaalsContact O-CE 3.31Å; V389-K394 WeakPolarHBondContact O-CE 3.32Å; H390-K394 WeakPolarHBondContact O-CG 3.5Å; H390-K394 PolarHBondContact O-N 3.32Å; H390-K394 VanDerWaalsContact O-N 3.08Å; P391-K394 PolarHBondContact O-N 2.82Å; K394-H624 HydrophobicContact CB-CB 3.95Å; K394-H624 WeakPolarHBondContact CD-O 3.42Å; K394-H624 HydrophobicContact CG-CB 4.02Å; K394-H624 PolarHBondContact NZ-O 3.02Å; K394-F625 HydrophobicContact CB-CD1 4.1Å; K394-F625 HydrophobicContact CB-CD2 3.97Å; K394-F625 HydrophobicContact CB-CE1 3.8Å; K394-F625 HydrophobicContact CB-CE2 3.66Å; K394-F625 HydrophobicContact CB-CG 4.2Å; K394-F625 HydrophobicContact CB-CZ 3.58Å; K394-F625 HydrophobicContact CD-CD1 3.74Å; K394-F625 HydrophobicContact CD-CE1 3.75Å; K394-F625 HydrophobicContact CD-CG 4.39Å; K394-F625 HydrophobicContact CD-CZ 4.4Å; K394-F625 HydrophobicContact CG-CE1 4.44Å
395L98.9Very high98.6Very high4 Ų411.1 Ų11.12%0.0216%0.058CC..Hα-helixtrans-70.2-45.4175.5177.362.5000112.3P391 V392 F393 P398 H399 F484 V485 V488 L539 I543 F625P391-L395 WeakPolarHBondContact O-CB 3.43Å; P391-L395 PolarHBondContact O-N 2.87Å; V392-L395 PolarHBondContact O-N 3.26Å; F393-L395 PolarHBondContact O-N 3.16Å; L395-P398 WeakPolarHBondContact O-CD 3.5Å; L395-H399 PolarHBondContact O-CD2 2.79Å; L395-F484 HydrophobicContact CD1-CD1 4.44Å; L395-F484 HydrophobicContact CD1-CE1 3.51Å; L395-F484 HydrophobicContact CD1-CZ 3.76Å; L395-V485 HydrophobicContact CD2-CG2 4.48Å; L395-V488 HydrophobicContact CD1-CG2 4.43Å; L395-V488 HydrophobicContact CD2-CG1 4.27Å; L395-L539 HydrophobicContact CD2-CD1 4.15Å; L395-I543 HydrophobicContact CD1-CD1 4.13Å; L395-I543 HydrophobicContact CD2-CD1 4.38Å; L395-I543 HydrophobicContact CG-CD1 4.09Å; L395-F625 HydrophobicContact CB-CE2 4.14Å; L395-F625 HydrophobicContact CB-CZ 4.36Å
396L98.9Very high98.5Very high0 Ų010.7 Ų10.70%06%0.056CC..Hα-helixtrans-86.2-26.8-171.5-67.4-175.7000114.2M382 V392 F393 P398 H399 I400 F508 L539 V542 I543M382-L396 HydrophobicContact CG-CB 4.38Å; M382-L396 HydrophobicContact SD-CB 3.51Å; M382-L396 VanDerWaalsContact SD-CB 3.51Å; V392-L396 HydrophobicContact CG1-CD1 3.75Å; V392-L396 HydrophobicContact CG1-CG 4.05Å; V392-L396 WeakPolarHBondContact O-CB 3.49Å; V392-L396 VanDerWaalsContact O-CG 3.31Å; V392-L396 WeakPolarHBondContact O-CG 3.42Å; V392-L396 PolarHBondContact O-N 3.41Å; F393-L396 PolarHBondContact O-N 3.45Å; L396-P398 VanDerWaalsContact C-N 3.35Å; L396-H399 WeakPolarHBondContact O-CA 3.47Å; L396-H399 WeakPolarHBondContact O-CB 3.32Å; L396-H399 PolarHBondContact O-N 2.97Å; L396-I400 PolarHBondContact O-N 3.13Å; L396-F508 HydrophobicContact CD1-CZ 4.1Å; L396-L539 HydrophobicContact CD1-CD2 3.83Å; L396-L539 HydrophobicContact CD2-CD2 4.12Å; L396-L539 HydrophobicContact CG-CD2 4.21Å; L396-V542 HydrophobicContact CD1-CG1 4.35Å; L396-V542 HydrophobicContact CD2-CB 4.18Å; L396-V542 HydrophobicContact CD2-CG1 3.84Å; L396-I543 HydrophobicContact CD2-CD1 4.2Å; L396-I543 HydrophobicContact CD2-CG1 3.79Å
397I98.6Very high98.5Very high25 Ų2510.9 Ų10.913%0.1286%0.057CC..Hα-helixtrans-55.2-37.8-173.8-170.562.2000114.5M382 F383 F393 H399 I400 R401 H624M382-I397 HydrophobicContact CE-CD1 3.65Å; F383-I397 HydrophobicContact CE1-CD1 3.84Å; F383-I397 HydrophobicContact CE2-CD1 4.41Å; F383-I397 HydrophobicContact CZ-CD1 3.5Å; F383-I397 VanDerWaalsContact CZ-CD1 3.5Å; F393-I397 HydrophobicContact CE1-CB 4.13Å; F393-I397 HydrophobicContact CE1-CG1 4.22Å; F393-I397 HydrophobicContact CE1-CG2 4.31Å; F393-I397 HydrophobicContact CE2-CD1 4.23Å; F393-I397 HydrophobicContact CZ-CB 4.22Å; F393-I397 HydrophobicContact CZ-CD1 3.86Å; F393-I397 HydrophobicContact CZ-CG1 4.01Å; F393-I397 WeakPolarHBondContact O-CB 3.47Å; F393-I397 WeakPolarHBondContact O-CG2 3.49Å; F393-I397 PolarHBondContact O-N 2.95Å; I397-H399 PolarHBondContact O-N 3.25Å; I397-I400 PolarHBondContact O-N 2.94Å; I397-R401 PolarHBondContact O-N 3.33Å; I397-H624 VanDerWaalsContact CG2-CD2 3.48Å; I397-H624 WeakPolarHBondContact CG2-CD2 3.44Å; I397-H624 WeakPolarHBondContact CG2-NE2 3.49Å
398P98.5Very high98.5Very high26 Ų2610.9 Ų10.917%0.1696%0.057CC..Hα-helixtrans-66.7-24.4176.1-17.533.8000112.9L395 L396 Y620 N669L395-P398 WeakPolarHBondContact O-CD 3.5Å; L396-P398 VanDerWaalsContact C-N 3.35Å; P398-Y620 HydrophobicContact CB-CD1 3.67Å; P398-Y620 HydrophobicContact CB-CE1 3.87Å; P398-Y620 HydrophobicContact CG-CD1 3.82Å; P398-Y620 HydrophobicContact CG-CE1 4.15Å; P398-N669 WeakPolarHBondContact O-CB 3.28Å
399H98.9Very high98.4Very high0 Ų09.4 Ų9.40%04%0.044CC..Hα-helixtrans-90.2-8.4-176.7-61.7-66.3000113.7L395 L396 I397 A546 Y620 N669 S670L395-H399 PolarHBondContact O-CD2 2.79Å; L396-H399 WeakPolarHBondContact O-CA 3.47Å; L396-H399 WeakPolarHBondContact O-CB 3.32Å; L396-H399 PolarHBondContact O-N 2.97Å; I397-H399 PolarHBondContact O-N 3.25Å; H399-A546 HydrophobicContact CB-CB 4.38Å; H399-A546 VanDerWaalsContact O-CB 3.28Å; H399-A546 WeakPolarHBondContact O-CB 3.23Å; H399-Y620 AromaticContact CE1-CE1 3.83Å; H399-Y620 PolarHBondContact CE1-OH 3.32Å; H399-Y620 VanDerWaalsContact CE1-OH 3.3Å; H399-Y620 AromaticContact NE2-CE1 3.59Å; H399-Y620 AromaticContact NE2-CZ 3.67Å; H399-Y620 PolarHBondContact NE2-OH 3.44Å; H399-N669 WeakPolarHBondContact CA-O 3.31Å; H399-N669 PolarHBondContact CE1-OD1 3.44Å; H399-N669 PolarHBondContact ND1-O 3.18Å; H399-S670 VanDerWaalsContact C-CB 3.41Å; H399-S670 WeakPolarHBondContact O-CA 3.43Å; H399-S670 WeakPolarHBondContact O-CB 3.4Å
400I98.3Very high98.4Very high5 Ų59.5 Ų9.53%0.0265%0.046CC..Hα-helixtrans-107.3-8.2177.4-59.7-56.2000111.7T375 F378 G379 M382 F383 L396 I397 F402 T403 V542T375-I400 HydrophobicContact CG2-CD1 3.72Å; F378-I400 HydrophobicContact CB-CD1 4.47Å; G379-I400 VanDerWaalsContact CA-CG2 3.41Å; M382-I400 HydrophobicContact CE-CB 4.03Å; M382-I400 HydrophobicContact CE-CG1 4.05Å; M382-I400 HydrophobicContact CE-CG2 4.03Å; M382-I400 HydrophobicContact SD-CG1 4.04Å; F383-I400 HydrophobicContact CE2-CG2 4.07Å; L396-I400 PolarHBondContact O-N 3.13Å; I397-I400 PolarHBondContact O-N 2.94Å; I400-F402 PolarHBondContact O-N 3.05Å; I400-F402 VanDerWaalsContact O-N 3.16Å; I400-T403 WeakPolarHBondContact O-CB 3.27Å; I400-T403 PolarHBondContact O-N 3.14Å; I400-T403 PolarHBondContact O-OG1 2.99Å; I400-V542 HydrophobicContact CD1-CG1 4.47Å
401R97.1Very high98.4Very high69 Ų6910.3 Ų10.326%0.265%0.048SC..THydrogen-bonded Turntrans-49.7123.8-176.1-175.2173.5-177.7-103.21.3110.8D171 I397 T403 S670D171-R401 IonicContact OD2-NH2 3.6Å; D171-R401 PolarHBondContact OD2-NH2 3.08Å; I397-R401 PolarHBondContact O-N 3.33Å; R401-T403 PolarHBondContact O-N 2.62Å; R401-T403 VanDerWaalsContact O-N 3.1Å; R401-S670 WeakPolarHBondContact O-CB 3.5Å; R401-S670 PolarHBondContact O-OG 3.49Å
402F97.4Very high98.3Very high30 Ų3013.1 Ų13.113%0.1326%0.061CC..THydrogen-bonded Turntrans64.1-3.4179.7-55.8-32.1000118.3Q169 F170 I400 I404 A405 I406 A672Q169-F402 WeakPolarHBondContact O-CD1 3.47Å; Q169-F402 WeakPolarHBondContact O-CE1 3.22Å; F170-F402 HydrophobicContact CD1-CB 3.93Å; F170-F402 AromaticContact CD1-CD1 3.89Å; F170-F402 HydrophobicContact CD1-CD1 3.89Å; F170-F402 AromaticContact CD1-CD2 3.9Å; F170-F402 HydrophobicContact CD1-CD2 3.9Å; F170-F402 HydrophobicContact CD1-CE1 4.34Å; F170-F402 HydrophobicContact CD1-CE2 4.29Å; F170-F402 AromaticContact CD1-CG 3.66Å; F170-F402 HydrophobicContact CD1-CG 3.66Å; F170-F402 HydrophobicContact CE1-CB 3.6Å; F170-F402 HydrophobicContact CE1-CD1 4.44Å; F170-F402 HydrophobicContact CE1-CD2 4.11Å; F170-F402 AromaticContact CE1-CG 3.84Å; F170-F402 HydrophobicContact CE1-CG 3.84Å; I400-F402 PolarHBondContact O-N 3.05Å; I400-F402 VanDerWaalsContact O-N 3.16Å; F402-I404 VanDerWaalsContact C-N 3.33Å; F402-I404 PolarHBondContact O-N 2.92Å; F402-A405 WeakPolarHBondContact O-CB 3.4Å; F402-A405 PolarHBondContact O-N 2.77Å; F402-I406 PolarHBondContact O-N 2.95Å; F402-A672 HydrophobicContact CB-CB 4.08Å; F402-A672 HydrophobicContact CD2-CB 4.2Å
403T98.7Very high98.2Very high0 Ų014.1 Ų14.10%07%0.066CC..Hα-helixtrans-58.2-44.3179.7-56.60000112.3T375 E376 I400 R401 A405 I406 N407 V671T375-T403 HydrophobicContact CG2-CG2 3.54Å; E376-T403 HydrophobicContact CB-CG2 4.21Å; I400-T403 WeakPolarHBondContact O-CB 3.27Å; I400-T403 PolarHBondContact O-N 3.14Å; I400-T403 PolarHBondContact O-OG1 2.99Å; R401-T403 PolarHBondContact O-N 2.62Å; R401-T403 VanDerWaalsContact O-N 3.1Å; T403-A405 VanDerWaalsContact C-N 3.33Å; T403-A405 PolarHBondContact O-N 2.83Å; T403-I406 VanDerWaalsContact O-CG2 3.29Å; T403-I406 WeakPolarHBondContact O-CG2 3.37Å; T403-N407 WeakPolarHBondContact O-CB 3.36Å; T403-N407 VanDerWaalsContact O-CG 3.22Å; T403-N407 PolarHBondContact O-N 3.1Å; T403-N407 VanDerWaalsContact O-N 3.1Å; T403-N407 PolarHBondContact O-OD1 3.16Å; T403-V671 VanDerWaalsContact CA-O 3.25Å; T403-V671 WeakPolarHBondContact CA-O 3.39Å; T403-V671 HydrophobicContact CG2-CB 4.1Å; T403-V671 PolarHBondContact N-O 3.36Å; T403-V671 PolarHBondContact OG1-O 3.47Å; T403-V671 VanDerWaalsContact OG1-O 3.09Å
404I98.7Very high98.1Very high2 Ų214.8 Ų14.81%0.017%0.07CC..Hα-helixtrans-67-36.7178-56173.5000111I156 L164 I168 E376 I380 F383 F402 T408I156-I404 HydrophobicContact CB-CG2 3.68Å; I156-I404 HydrophobicContact CG1-CG2 3.97Å; I156-I404 HydrophobicContact CG2-CG2 3.53Å; L164-I404 HydrophobicContact CD2-CG2 4.01Å; I168-I404 HydrophobicContact CD1-CB 4.08Å; I168-I404 HydrophobicContact CD1-CD1 3.99Å; I168-I404 HydrophobicContact CD1-CG2 3.71Å; E376-I404 HydrophobicContact CG-CG1 4.3Å; I380-I404 HydrophobicContact CG1-CD1 3.85Å; I380-I404 HydrophobicContact CG1-CG1 4.35Å; F383-I404 HydrophobicContact CD2-CD1 4.01Å; F383-I404 HydrophobicContact CE2-CD1 4.14Å; F402-I404 VanDerWaalsContact C-N 3.33Å; F402-I404 PolarHBondContact O-N 2.92Å; I404-T408 VanDerWaalsContact O-CB 3.31Å; I404-T408 WeakPolarHBondContact O-CB 3.35Å; I404-T408 PolarHBondContact O-N 3.35Å; I404-T408 PolarHBondContact O-OG1 3.05Å
405A97.9Very high98.1Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-64.3-51.1177.200000112.5L164 I168 F170 F402 T403 N407 T408 K409L164-A405 HydrophobicContact CD1-CB 4.36Å; I168-A405 WeakPolarHBondContact O-CB 3.42Å; F170-A405 HydrophobicContact CD1-CB 4.24Å; F170-A405 HydrophobicContact CD2-CB 3.88Å; F170-A405 HydrophobicContact CE1-CB 4.14Å; F170-A405 HydrophobicContact CE2-CB 3.72Å; F170-A405 HydrophobicContact CG-CB 4.12Å; F170-A405 HydrophobicContact CZ-CB 3.86Å; F402-A405 WeakPolarHBondContact O-CB 3.4Å; F402-A405 PolarHBondContact O-N 2.77Å; T403-A405 VanDerWaalsContact C-N 3.33Å; T403-A405 PolarHBondContact O-N 2.83Å; A405-N407 VanDerWaalsContact C-N 3.34Å; A405-N407 PolarHBondContact O-N 3.19Å; A405-T408 PolarHBondContact O-N 3.21Å; A405-K409 PolarHBondContact O-N 3.31Å
406I97.8Very high98Very high5 Ų515.9 Ų15.93%0.0268%0.078CC..Hα-helixtrans-64.1-41.3-178.4-169.665.9000111F170 V176 F178 F402 T403 T408 K409 A410 V671F170-I406 HydrophobicContact CZ-CB 3.78Å; F170-I406 HydrophobicContact CZ-CD1 3.94Å; F170-I406 HydrophobicContact CZ-CG1 4.46Å; V176-I406 HydrophobicContact CG1-CD1 3.6Å; F178-I406 HydrophobicContact CE1-CD1 4.25Å; F178-I406 HydrophobicContact CE2-CD1 3.78Å; F178-I406 HydrophobicContact CE2-CG1 4.41Å; F178-I406 HydrophobicContact CZ-CD1 3.44Å; F178-I406 VanDerWaalsContact CZ-CD1 3.44Å; F178-I406 HydrophobicContact CZ-CG1 3.95Å; F402-I406 PolarHBondContact O-N 2.95Å; T403-I406 VanDerWaalsContact O-CG2 3.29Å; T403-I406 WeakPolarHBondContact O-CG2 3.37Å; I406-T408 VanDerWaalsContact C-N 3.34Å; I406-T408 PolarHBondContact O-N 3.47Å; I406-K409 PolarHBondContact O-N 2.91Å; I406-A410 WeakPolarHBondContact O-CB 3.36Å; I406-A410 PolarHBondContact O-N 3.45Å; I406-V671 HydrophobicContact CG2-CG1 4.48Å
407N98.6Very high97.8Very high3 Ų324.6 Ų24.62%0.01612%0.119CC..Hα-helixtrans-67.4-36.3178.1-70.18.8000112H372 E376 T403 A405 A410 R411H372-N407 VanDerWaalsContact C-ND2 3.29Å; H372-N407 WeakPolarHBondContact CB-OD1 3.5Å; H372-N407 PolarHBondContact ND1-OD1 3.16Å; H372-N407 PolarHBondContact O-ND2 2.98Å; E376-N407 VanDerWaalsContact CB-ND2 3.3Å; E376-N407 WeakPolarHBondContact CB-ND2 3.29Å; E376-N407 WeakPolarHBondContact OE2-CB 3.49Å; E376-N407 PolarHBondContact OE2-ND2 2.78Å; T403-N407 WeakPolarHBondContact O-CB 3.36Å; T403-N407 VanDerWaalsContact O-CG 3.22Å; T403-N407 PolarHBondContact O-N 3.1Å; T403-N407 VanDerWaalsContact O-N 3.1Å; T403-N407 PolarHBondContact O-OD1 3.16Å; A405-N407 VanDerWaalsContact C-N 3.34Å; A405-N407 PolarHBondContact O-N 3.19Å; N407-A410 PolarHBondContact O-N 2.88Å; N407-R411 PolarHBondContact O-N 3.08Å
408T98.4Very high97.6Very high1 Ų128.5 Ų28.51%0.00615%0.147CC..Hα-helixtrans-65.4-43.8174.3-58.10000110.9I156 R160 L164 I404 A405 I406 A410 R411 E412I156-T408 WeakPolarHBondContact CG2-OG1 3.32Å; R160-T408 VanDerWaalsContact C-CG2 3.49Å; L164-T408 HydrophobicContact CD1-CG2 4.23Å; L164-T408 HydrophobicContact CD2-CG2 4.42Å; L164-T408 HydrophobicContact CG-CG2 4.32Å; I404-T408 VanDerWaalsContact O-CB 3.31Å; I404-T408 WeakPolarHBondContact O-CB 3.35Å; I404-T408 PolarHBondContact O-N 3.35Å; I404-T408 PolarHBondContact O-OG1 3.05Å; A405-T408 PolarHBondContact O-N 3.21Å; I406-T408 VanDerWaalsContact C-N 3.34Å; I406-T408 PolarHBondContact O-N 3.47Å; T408-A410 VanDerWaalsContact C-N 3.29Å; T408-A410 PolarHBondContact O-N 3.44Å; T408-R411 PolarHBondContact O-N 3.38Å; T408-R411 PolarHBondContact OG1-NH2 3.49Å; T408-E412 VanDerWaalsContact O-CB 3.31Å; T408-E412 WeakPolarHBondContact O-CB 3.24Å; T408-E412 PolarHBondContact O-N 3.29Å
409K97.1Very high97.5Very high3 Ų327.6 Ų27.61%0.01314%0.142CC..Hα-helixtrans-60.7-38.4172.2-79.1-68.7-170.9-173.90112H161 F170 E173 D177 F178 A405 I406 E412 Q413H161-K409 HydrophobicContact CB-CD 3.78Å; H161-K409 VanDerWaalsContact CB-CE 3.42Å; H161-K409 HydrophobicContact CB-CG 4Å; F170-K409 HydrophobicContact CE2-CG 4.14Å; E173-K409 IonicContact OE1-NZ 3.88Å; E173-K409 PolarHBondContact OE1-NZ 3.49Å; D177-K409 IonicContact OD2-NZ 2.84Å; F178-K409 HydrophobicContact CD2-CB 4.03Å; F178-K409 HydrophobicContact CE2-CB 3.88Å; A405-K409 PolarHBondContact O-N 3.31Å; I406-K409 PolarHBondContact O-N 2.91Å; K409-E412 PolarHBondContact O-N 3.36Å; K409-Q413 WeakPolarHBondContact O-CB 3.31Å; K409-Q413 PolarHBondContact O-N 3.12Å
410A97.8Very high97.3Very high7 Ų728.3 Ų28.36%0.05815%0.146CC..Iπ-helixtrans-65.1-45.9178.300000111F178 I406 N407 T408 E412 Q413 L414 I415F178-A410 HydrophobicContact CE2-CB 3.81Å; F178-A410 HydrophobicContact CZ-CB 4.13Å; I406-A410 WeakPolarHBondContact O-CB 3.36Å; I406-A410 PolarHBondContact O-N 3.45Å; N407-A410 PolarHBondContact O-N 2.88Å; T408-A410 VanDerWaalsContact C-N 3.29Å; T408-A410 PolarHBondContact O-N 3.44Å; A410-E412 PolarHBondContact O-N 3.29Å; A410-Q413 PolarHBondContact O-N 3.43Å; A410-L414 HydrophobicContact CB-CB 4.26Å; A410-L414 HydrophobicContact CB-CD2 4.4Å; A410-L414 WeakPolarHBondContact O-CA 3.26Å; A410-L414 WeakPolarHBondContact O-CB 3.18Å; A410-L414 PolarHBondContact O-N 3.46Å; A410-I415 WeakPolarHBondContact O-CG1 3.3Å; A410-I415 PolarHBondContact O-N 3.11Å
411R98.4Very high97.2Very high16 Ų1628.6 Ų28.66%0.0615%0.147CC..Iπ-helixtrans-64.1-27.9173-73.1-176.1-69.5-91.50.9113.4W148 E376 N407 T408 I415 C416W148-R411 HydrophobicContact CD2-CG 3.81Å; W148-R411 HydrophobicContact CE3-CG 4.31Å; W148-R411 VanDerWaalsContact CG-CD 3.41Å; W148-R411 HydrophobicContact CG-CG 4.08Å; W148-R411 HydrophobicContact CZ2-CG 4.23Å; E376-R411 IonicContact OE1-CZ 3.64Å; E376-R411 IonicContact OE1-NH1 3.73Å; E376-R411 PolarHBondContact OE1-NH1 3.09Å; E376-R411 IonicContact OE1-NH2 2.73Å; E376-R411 PolarHBondContact OE1-NH2 3.23Å; E376-R411 IonicContact OE2-CZ 3.58Å; E376-R411 IonicContact OE2-NH1 2.68Å; E376-R411 PolarHBondContact OE2-NH1 3.4Å; E376-R411 IonicContact OE2-NH2 2.74Å; E376-R411 PolarHBondContact OE2-NH2 2.94Å; N407-R411 PolarHBondContact O-N 3.08Å; T408-R411 PolarHBondContact O-N 3.38Å; T408-R411 PolarHBondContact OG1-NH2 3.49Å; R411-I415 HydrophobicContact CG-CD1 4.28Å; R411-C416 VanDerWaalsContact O-CB 3.3Å; R411-C416 WeakPolarHBondContact O-CB 3.46Å
412E97.2Very high97.2Very high60 Ų6025.8 Ų25.828%0.2814%0.137SC..Iπ-helixtrans-80.1-36.5179.1-177.4177.6-175.400112.6R160 H161 T408 K409 A410 C416R160-E412 WeakPolarHBondContact CA-OE2 3.41Å; R160-E412 HydrophobicContact CG-CG 4.47Å; H161-E412 PolarHBondContact N-OE2 3.29Å; T408-E412 VanDerWaalsContact O-CB 3.31Å; T408-E412 WeakPolarHBondContact O-CB 3.24Å; T408-E412 PolarHBondContact O-N 3.29Å; K409-E412 PolarHBondContact O-N 3.36Å; A410-E412 PolarHBondContact O-N 3.29Å; E412-C416 VanDerWaalsContact C-SG 3.6Å; E412-C416 PolarHBondContact O-SG 3.4Å
413Q96.9Very high97.2Very high23 Ų2328.1 Ų28.111%0.10715%0.147CC..Iπ-helixtrans-129-31.8-165.1-58.1178.6-21.100115.1D177 I179 K409 A410 G419 I420D177-Q413 PolarHBondContact OD2-NE2 2.66Å; D177-Q413 PolarHBondContact OD2-OE1 2.81Å; I179-Q413 HydrophobicContact CD1-CB 4.49Å; I179-Q413 HydrophobicContact CD1-CG 4.3Å; I179-Q413 HydrophobicContact CG1-CB 4.42Å; K409-Q413 WeakPolarHBondContact O-CB 3.31Å; K409-Q413 PolarHBondContact O-N 3.12Å; A410-Q413 PolarHBondContact O-N 3.43Å; Q413-G419 WeakPolarHBondContact O-CA 3.46Å; Q413-I420 PolarHBondContact O-N 2.82Å
414L97.3Very high97.1Very high23 Ų2328.3 Ų28.312%0.1215%0.149CC..Iπ-helixtrans-95.6-62-169.4-176.861.2000111.4F178 Y182 A410 G419 I420 F421F178-L414 HydrophobicContact CD1-CD2 4.21Å; F178-L414 HydrophobicContact CD2-CB 4.31Å; F178-L414 HydrophobicContact CE1-CD2 3.95Å; F178-L414 HydrophobicContact CG-CB 4.39Å; F178-L414 HydrophobicContact CZ-CD2 4.15Å; Y182-L414 HydrophobicContact CE2-CD1 4.14Å; A410-L414 HydrophobicContact CB-CB 4.26Å; A410-L414 HydrophobicContact CB-CD2 4.4Å; A410-L414 WeakPolarHBondContact O-CA 3.26Å; A410-L414 WeakPolarHBondContact O-CB 3.18Å; A410-L414 PolarHBondContact O-N 3.46Å; L414-G419 CarbonylContact O-C 3.46Å; L414-I420 HydrophobicContact CD1-CB 4.05Å; L414-I420 HydrophobicContact CD1-CG2 4.44Å; L414-I420 PolarHBondContact O-N 2.76Å; L414-F421 HydrophobicContact CD1-CB 4.25Å; L414-F421 HydrophobicContact CG-CB 4.45Å; L414-F421 WeakPolarHBondContact O-CB 3.02Å; L414-F421 PolarHBondContact O-N 3.05Å
415I97.8Very high97.1Very high7 Ų729 Ų294%0.03615%0.153CC..SBendtrans-103.77.8-171.663.6170.4000113.3W148 L368 A410 R411 F421 H432W148-I415 HydrophobicContact CH2-CB 4.27Å; W148-I415 HydrophobicContact CH2-CD1 3.54Å; W148-I415 HydrophobicContact CH2-CG1 3.66Å; W148-I415 WeakPolarHBondContact CH2-O 3.21Å; W148-I415 HydrophobicContact CZ2-CD1 4.24Å; W148-I415 HydrophobicContact CZ2-CG1 4.04Å; W148-I415 HydrophobicContact CZ3-CD1 3.75Å; W148-I415 HydrophobicContact CZ3-CG1 4.38Å; L368-I415 HydrophobicContact CD1-CD1 4.27Å; L368-I415 HydrophobicContact CD2-CD1 3.98Å; L368-I415 HydrophobicContact CD2-CG2 4.39Å; A410-I415 WeakPolarHBondContact O-CG1 3.3Å; A410-I415 PolarHBondContact O-N 3.11Å; R411-I415 HydrophobicContact CG-CD1 4.28Å; I415-F421 HydrophobicContact CG2-CB 4.48Å; I415-H432 PolarHBondContact O-NE2 3.35Å
416C96.9Very high97.2Very high29 Ų2929 Ų2920%0.19615%0.153CC..SBendtrans-67.9164169.249.80000111.4R411 E412 C418 G419R411-C416 VanDerWaalsContact O-CB 3.3Å; R411-C416 WeakPolarHBondContact O-CB 3.46Å; E412-C416 VanDerWaalsContact C-SG 3.6Å; E412-C416 PolarHBondContact O-SG 3.4Å; C416-C418 PolarHBondContact O-N 3.03Å; C416-G419 WeakPolarHBondContact O-CA 3.42Å; C416-G419 PolarHBondContact O-N 3.14Å
417E96Very high97.2Very high182 Ų18228.8 Ų28.885%0.8515%0.151SC*.THydrogen-bonded Turntrans-54.3129167.3-174.2178.8-174.600110.2G419E417-G419 PolarHBondContact O-N 3.19Å
418C93.9Very high97.2Very high108 Ų10828.7 Ų28.773%0.7315%0.151SC*.THydrogen-bonded Turntrans63.118.3-173.3-54.20000114.6C416 D422C416-C418 PolarHBondContact O-N 3.03Å; C418-D422 WeakPolarHBondContact CA-OD2 3.27Å; C418-D422 PolarHBondContact N-OD2 3.19Å; C418-D422 VanDerWaalsContact N-OD2 3.12Å
419G95.6Very high97.1Very high6 Ų630.8 Ų30.86%0.06217%0.173CC..  trans-69.2175.8177.500000113.6Q413 L414 C416 E417 F421 D422Q413-G419 WeakPolarHBondContact O-CA 3.46Å; L414-G419 CarbonylContact O-C 3.46Å; C416-G419 WeakPolarHBondContact O-CA 3.42Å; C416-G419 PolarHBondContact O-N 3.14Å; E417-G419 PolarHBondContact O-N 3.19Å; G419-F421 PolarHBondContact O-N 2.65Å; G419-D422 PolarHBondContact O-N 3.5Å
420I94.9Very high97.1Very high15 Ų1531.5 Ų31.58%0.07718%0.182CC..G310 helixtrans-60.6-32.1179.6-58.4169.3000111.6F178 I179 Y182 Q413 L414 D422 K423 W599F178-I420 HydrophobicContact CB-CD1 3.95Å; I179-I420 HydrophobicContact CB-CD1 4.32Å; I179-I420 HydrophobicContact CG1-CD1 3.67Å; I179-I420 HydrophobicContact CG1-CG1 4.34Å; Y182-I420 HydrophobicContact CD2-CG2 3.69Å; Y182-I420 HydrophobicContact CE2-CG2 3.94Å; Q413-I420 PolarHBondContact O-N 2.82Å; L414-I420 HydrophobicContact CD1-CB 4.05Å; L414-I420 HydrophobicContact CD1-CG2 4.44Å; L414-I420 PolarHBondContact O-N 2.76Å; I420-D422 PolarHBondContact O-N 3.39Å; I420-K423 HydrophobicContact CG2-CD 4.46Å; I420-K423 VanDerWaalsContact O-CB 3.32Å; I420-K423 WeakPolarHBondContact O-CB 3.48Å; I420-K423 WeakPolarHBondContact O-CG 3.46Å; I420-K423 PolarHBondContact O-N 2.83Å; I420-K423 VanDerWaalsContact O-N 3.08Å; I420-W599 HydrophobicContact CG2-CE3 3.87Å; I420-W599 HydrophobicContact CG2-CZ3 3.94Å
421F96.9Very high97.2Very high12 Ų1231.2 Ų31.25%0.05318%0.179CC..G310 helixtrans-58.7-34.6-179.5-170.9-92000112.1N364 L414 I415 G419 K423 N425 T427 H432N364-F421 WeakPolarHBondContact OD1-CZ 3.15Å; L414-F421 HydrophobicContact CD1-CB 4.25Å; L414-F421 HydrophobicContact CG-CB 4.45Å; L414-F421 WeakPolarHBondContact O-CB 3.02Å; L414-F421 PolarHBondContact O-N 3.05Å; I415-F421 HydrophobicContact CG2-CB 4.48Å; G419-F421 PolarHBondContact O-N 2.65Å; F421-K423 PolarHBondContact O-N 3.03Å; F421-N425 HydrophobicContact CD1-CB 3.98Å; F421-N425 VanDerWaalsContact CD2-ND2 3.34Å; F421-N425 WeakPolarHBondContact CD2-ND2 3.28Å; F421-N425 HydrophobicContact CE1-CB 3.56Å; F421-N425 HydrophobicContact CE2-CB 4.16Å; F421-N425 HydrophobicContact CG-CB 4.44Å; F421-N425 HydrophobicContact CZ-CB 3.65Å; F421-N425 WeakPolarHBondContact O-CB 3.35Å; F421-N425 PolarHBondContact O-N 2.91Å; F421-N425 PolarHBondContact O-ND2 3.36Å; F421-T427 WeakPolarHBondContact CE1-OG1 3.32Å; F421-H432 HydrophobicContact CE1-CB 3.94Å; F421-H432 AromaticContact CE1-CG 4Å; F421-H432 AromaticContact CE1-ND1 3.99Å; F421-H432 HydrophobicContact CZ-CB 4.43Å
422D97.5Very high97.2Very high9 Ų930.7 Ų30.75%0.04818%0.177CC..G310 helixtrans-68.9-16.2-179.4-65.7-16.2000113.2N296 T298 C418 G419 I420 A424 G428 G429 H432N296-D422 PolarHBondContact ND2-O 2.95Å; T298-D422 HydrophobicContact CG2-CB 4.39Å; C418-D422 WeakPolarHBondContact CA-OD2 3.27Å; C418-D422 PolarHBondContact N-OD2 3.19Å; C418-D422 VanDerWaalsContact N-OD2 3.12Å; G419-D422 PolarHBondContact O-N 3.5Å; I420-D422 PolarHBondContact O-N 3.39Å; D422-A424 PolarHBondContact O-N 3.4Å; D422-G428 WeakPolarHBondContact OD1-CA 3.5Å; D422-G429 PolarHBondContact OD1-N 3.03Å; D422-H432 IonicContact OD1-CE1 3.71Å
423K96.9Very high97.3Very high79 Ų7929.2 Ų29.234%0.34317%0.171SC..G310 helixtrans-69.2-33.4-177-64.3-173.7-178.4-62.90113.5F198 I420 F421 R596 W599F198-K423 WeakPolarHBondContact CE1-O 3.28Å; I420-K423 HydrophobicContact CG2-CD 4.46Å; I420-K423 VanDerWaalsContact O-CB 3.32Å; I420-K423 WeakPolarHBondContact O-CB 3.48Å; I420-K423 WeakPolarHBondContact O-CG 3.46Å; I420-K423 PolarHBondContact O-N 2.83Å; I420-K423 VanDerWaalsContact O-N 3.08Å; F421-K423 PolarHBondContact O-N 3.03Å; K423-R596 WeakPolarHBondContact O-CG 3.25Å; K423-W599 HydrophobicContact CB-CD2 4.44Å; K423-W599 HydrophobicContact CB-CG 4.2Å; K423-W599 HydrophobicContact CD-CD2 3.57Å; K423-W599 VanDerWaalsContact CD-CE2 3.45Å; K423-W599 HydrophobicContact CD-CE3 3.84Å; K423-W599 HydrophobicContact CD-CG 4.15Å; K423-W599 HydrophobicContact CD-CH2 3.92Å; K423-W599 HydrophobicContact CD-CZ2 3.64Å; K423-W599 HydrophobicContact CD-CZ3 4.01Å
424A97.3Very high97.3Very high4 Ų431.1 Ų31.13%0.03318%0.18CC..THydrogen-bonded Turntrans-131-14.3-169.400000114.9D422 S569 R596 W599D422-A424 PolarHBondContact O-N 3.4Å; A424-S569 CarbonylContact O-C 3.58Å; A424-S569 VanDerWaalsContact O-CB 3.29Å; A424-S569 WeakPolarHBondContact O-CB 3.42Å; A424-S569 PolarHBondContact O-OG 2.91Å; A424-R596 HydrophobicContact CB-CB 4.22Å; A424-W599 HydrophobicContact CB-CB 4.07Å
425N98.6Very high97.4Very high17 Ų1730 Ų309%0.09117%0.174CC..  trans-102135.4-169.9-58.9-68.6000112.2N296 F359 F421 T427 G428 S569N296-N425 WeakPolarHBondContact CB-O 3.47Å; N296-N425 PolarHBondContact ND2-O 3.37Å; F359-N425 WeakPolarHBondContact CE1-OD1 3.16Å; F421-N425 HydrophobicContact CD1-CB 3.98Å; F421-N425 VanDerWaalsContact CD2-ND2 3.34Å; F421-N425 WeakPolarHBondContact CD2-ND2 3.28Å; F421-N425 HydrophobicContact CE1-CB 3.56Å; F421-N425 HydrophobicContact CE2-CB 4.16Å; F421-N425 HydrophobicContact CG-CB 4.44Å; F421-N425 HydrophobicContact CZ-CB 3.65Å; F421-N425 WeakPolarHBondContact O-CB 3.35Å; F421-N425 PolarHBondContact O-N 2.91Å; F421-N425 PolarHBondContact O-ND2 3.36Å; N425-T427 VanDerWaalsContact C-N 3.25Å; N425-T427 PolarHBondContact O-N 3.3Å; N425-G428 PolarHBondContact O-N 3.16Å; N425-S569 WeakPolarHBondContact CA-O 3.05Å
426A98.6Very high97.4Very high0 Ų029.7 Ų29.70%017%0.173CC..THydrogen-bonded Turntrans-67.8-21.8177.400000113.4A295 N296 L306 G428 S569A295-A426 CarbonylContact C-O 3.55Å; A295-A426 WeakPolarHBondContact CA-O 3.41Å; N296-A426 WeakPolarHBondContact CB-O 3.4Å; N296-A426 PolarHBondContact N-O 3.38Å; L306-A426 HydrophobicContact CD2-CB 3.49Å; L306-A426 VanDerWaalsContact CD2-CB 3.49Å; L306-A426 HydrophobicContact CG-CB 4.14Å; A426-G428 VanDerWaalsContact C-N 3.32Å; A426-S569 PolarHBondContact N-O 3.21Å
427T98.7Very high97.4Very high0 Ų031 Ų310%018%0.176CC..THydrogen-bonded Turntrans-88.34.9170.659.50000113.3I293 L306 Q360 N364 F421 N425 G431 H432I293-T427 HydrophobicContact CG2-CG2 4.48Å; L306-T427 HydrophobicContact CD1-CG2 3.95Å; L306-T427 HydrophobicContact CD2-CG2 3.91Å; Q360-T427 HydrophobicContact CB-CG2 3.96Å; Q360-T427 HydrophobicContact CG-CG2 3.97Å; Q360-T427 PolarHBondContact OE1-OG1 3.3Å; N364-T427 PolarHBondContact ND2-OG1 2.94Å; N364-T427 VanDerWaalsContact ND2-OG1 3.12Å; F421-T427 WeakPolarHBondContact CE1-OG1 3.32Å; N425-T427 VanDerWaalsContact C-N 3.25Å; N425-T427 PolarHBondContact O-N 3.3Å; T427-G431 CarbonylContact O-C 3.41Å; T427-G431 WeakPolarHBondContact O-CA 3.34Å; T427-G431 PolarHBondContact O-N 3.31Å; T427-H432 PolarHBondContact O-N 2.89Å; T427-H432 PolarHBondContact O-ND1 3.09Å
428G98.2Very high97.5Very high1 Ų125.7 Ų25.71%0.0115%0.15CC..THydrogen-bonded Turntrans-59.4167.2171.300000113N296 D422 N425 A426 G430N296-G428 VanDerWaalsContact CA-O 3.3Å; N296-G428 WeakPolarHBondContact CA-O 3.36Å; N296-G428 VanDerWaalsContact CB-O 3.28Å; N296-G428 WeakPolarHBondContact CB-O 3.32Å; D422-G428 WeakPolarHBondContact OD1-CA 3.5Å; N425-G428 PolarHBondContact O-N 3.16Å; A426-G428 VanDerWaalsContact C-N 3.32Å; G428-G430 VanDerWaalsContact C-N 3.27Å; G428-G430 PolarHBondContact O-N 3.25Å
429G96.7Very high97.6Very high45 Ų4520.8 Ų20.846%0.46412%0.117SC..THydrogen-bonded Turntrans72.217.6177.900000114.6D422D422-G429 PolarHBondContact OD1-N 3.03Å
430G97.9Very high97.7Very high19 Ų1920.6 Ų20.620%0.19612%0.115CC..THydrogen-bonded Turntrans114-13.5175.200000115.6G428 H432 I433 Q434G428-G430 VanDerWaalsContact C-N 3.27Å; G428-G430 PolarHBondContact O-N 3.25Å; G430-H432 VanDerWaalsContact C-N 3.28Å; G430-H432 PolarHBondContact O-N 2.85Å; G430-I433 WeakPolarHBondContact O-CB 3.19Å; G430-I433 PolarHBondContact O-N 2.9Å; G430-Q434 PolarHBondContact O-N 2.87Å; G430-Q434 VanDerWaalsContact O-N 3.15Å
431G98.6Very high97.6Very high1 Ų126.9 Ų26.91%0.0114%0.142CC..Hα-helixtrans-59.3-37.5175.700000113.2I293 N294 T427 I433 Q434 L435I293-G431 WeakPolarHBondContact CG2-O 3.05Å; N294-G431 WeakPolarHBondContact O-CA 3.27Å; T427-G431 CarbonylContact O-C 3.41Å; T427-G431 WeakPolarHBondContact O-CA 3.34Å; T427-G431 PolarHBondContact O-N 3.31Å; G431-I433 VanDerWaalsContact C-N 3.31Å; G431-I433 PolarHBondContact O-N 3.26Å; G431-Q434 WeakPolarHBondContact O-CB 3.4Å; G431-Q434 PolarHBondContact O-N 3.26Å; G431-L435 WeakPolarHBondContact O-CB 3.3Å; G431-L435 PolarHBondContact O-N 3.35Å
432H98.6Very high97.4Very high4 Ų430 Ų302%0.01916%0.162CC..Hα-helixtrans-64.4-34.817558.5-78.6000112.4N364 I415 F421 D422 T427 G430 L435 V436N364-H432 WeakPolarHBondContact OD1-CB 3.06Å; I415-H432 PolarHBondContact O-NE2 3.35Å; F421-H432 HydrophobicContact CE1-CB 3.94Å; F421-H432 AromaticContact CE1-CG 4Å; F421-H432 AromaticContact CE1-ND1 3.99Å; F421-H432 HydrophobicContact CZ-CB 4.43Å; D422-H432 IonicContact OD1-CE1 3.71Å; T427-H432 PolarHBondContact O-N 2.89Å; T427-H432 PolarHBondContact O-ND1 3.09Å; G430-H432 VanDerWaalsContact C-N 3.28Å; G430-H432 PolarHBondContact O-N 2.85Å; H432-L435 PolarHBondContact O-N 3.34Å; H432-V436 WeakPolarHBondContact O-CG2 3.38Å; H432-V436 PolarHBondContact O-N 3.02Å
433I98.5Very high97.3Very high30 Ų3029.6 Ų29.615%0.15416%0.16CC..Hα-helixtrans-64.8-48.1174.6-60176.9000109.5Q149 F152 G430 G431 L435 V436 Q437Q149-I433 HydrophobicContact CB-CG2 4.29Å; Q149-I433 HydrophobicContact CG-CD1 4.22Å; Q149-I433 HydrophobicContact CG-CG2 4.36Å; F152-I433 HydrophobicContact CE2-CB 4.34Å; F152-I433 HydrophobicContact CE2-CG2 3.8Å; F152-I433 HydrophobicContact CZ-CG2 4.42Å; G430-I433 WeakPolarHBondContact O-CB 3.19Å; G430-I433 PolarHBondContact O-N 2.9Å; G431-I433 VanDerWaalsContact C-N 3.31Å; G431-I433 PolarHBondContact O-N 3.26Å; I433-L435 VanDerWaalsContact C-N 3.29Å; I433-L435 PolarHBondContact O-N 2.94Å; I433-V436 PolarHBondContact O-N 2.71Å; I433-Q437 WeakPolarHBondContact O-CB 3.27Å; I433-Q437 VanDerWaalsContact O-CG 3.24Å; I433-Q437 WeakPolarHBondContact O-CG 3.18Å; I433-Q437 PolarHBondContact O-N 3.42Å
434Q98.6Very high97.2Very high62 Ų6227.1 Ų27.129%0.2915%0.151SC..Hα-helixtrans-59.1-41.9176.4-65.2175-30.300111.9I293 N294 G430 G431 Q437 K438I293-Q434 HydrophobicContact CD1-CB 3.73Å; N294-Q434 PolarHBondContact ND2-NE2 3.23Å; G430-Q434 PolarHBondContact O-N 2.87Å; G430-Q434 VanDerWaalsContact O-N 3.15Å; G431-Q434 WeakPolarHBondContact O-CB 3.4Å; G431-Q434 PolarHBondContact O-N 3.26Å; Q434-Q437 WeakPolarHBondContact O-CB 3.48Å; Q434-Q437 PolarHBondContact O-N 3.09Å; Q434-K438 WeakPolarHBondContact O-CB 3.22Å; Q434-K438 PolarHBondContact O-N 2.89Å
435L98.4Very high97.2Very high0 Ų027.1 Ų27.10%015%0.151CC..Hα-helixtrans-65.7-44.8-179.7-17657.6000111.8M289 L290 I293 N364 I365 G431 H432 I433 K438 A439M289-L435 HydrophobicContact CB-CD1 4.08Å; M289-L435 VanDerWaalsContact O-CD1 3.23Å; M289-L435 WeakPolarHBondContact O-CD1 3.23Å; L290-L435 HydrophobicContact CD2-CD1 3.86Å; L290-L435 HydrophobicContact CD2-CD2 3.56Å; L290-L435 HydrophobicContact CD2-CG 4.36Å; I293-L435 HydrophobicContact CD1-CB 4.18Å; I293-L435 HydrophobicContact CD1-CD1 4.43Å; I293-L435 HydrophobicContact CG1-CB 4.49Å; I293-L435 HydrophobicContact CG1-CD1 4.3Å; N364-L435 HydrophobicContact CB-CD2 3.76Å; N364-L435 HydrophobicContact CB-CG 4.39Å; I365-L435 HydrophobicContact CD1-CD1 3.63Å; I365-L435 HydrophobicContact CD1-CD2 4.28Å; I365-L435 HydrophobicContact CD1-CG 3.78Å; I365-L435 HydrophobicContact CG1-CD1 4.4Å; I365-L435 HydrophobicContact CG1-CD2 4.39Å; I365-L435 HydrophobicContact CG1-CG 4Å; G431-L435 WeakPolarHBondContact O-CB 3.3Å; G431-L435 PolarHBondContact O-N 3.35Å; H432-L435 PolarHBondContact O-N 3.34Å; I433-L435 VanDerWaalsContact C-N 3.29Å; I433-L435 PolarHBondContact O-N 2.94Å; L435-K438 PolarHBondContact O-N 3.46Å; L435-A439 WeakPolarHBondContact O-CB 3.48Å; L435-A439 PolarHBondContact O-N 3.07Å
436V98.4Very high97Very high1 Ų130.9 Ų30.91%0.00616%0.163CC..Hα-helixtrans-65.7-39.2175.8172.50000111.4F152 N364 L368 L369 L373 H432 I433 K438 A439 T440F152-V436 HydrophobicContact CD1-CG1 3.82Å; F152-V436 HydrophobicContact CD2-CB 4.42Å; F152-V436 HydrophobicContact CD2-CG1 3.89Å; F152-V436 HydrophobicContact CE1-CB 3.98Å; F152-V436 HydrophobicContact CE1-CG1 3.48Å; F152-V436 VanDerWaalsContact CE1-CG1 3.48Å; F152-V436 HydrophobicContact CE1-CG2 4.29Å; F152-V436 HydrophobicContact CE2-CB 3.63Å; F152-V436 HydrophobicContact CE2-CG1 3.55Å; F152-V436 HydrophobicContact CG-CG1 4.02Å; F152-V436 HydrophobicContact CZ-CB 3.38Å; F152-V436 HydrophobicContact CZ-CG1 3.35Å; F152-V436 HydrophobicContact CZ-CG2 3.9Å; N364-V436 HydrophobicContact CB-CG2 4.46Å; L368-V436 HydrophobicContact CD2-CG2 4.45Å; L369-V436 HydrophobicContact CB-CG1 4.38Å; L369-V436 HydrophobicContact CD1-CG1 4.11Å; L369-V436 HydrophobicContact CD2-CG1 4.35Å; L373-V436 HydrophobicContact CD1-CG1 4.43Å; H432-V436 WeakPolarHBondContact O-CG2 3.38Å; H432-V436 PolarHBondContact O-N 3.02Å; I433-V436 PolarHBondContact O-N 2.71Å; V436-K438 VanDerWaalsContact C-N 3.35Å; V436-K438 PolarHBondContact O-N 3.05Å; V436-A439 PolarHBondContact O-N 2.96Å; V436-T440 WeakPolarHBondContact O-CB 3.34Å; V436-T440 PolarHBondContact O-N 3.47Å; V436-T440 PolarHBondContact O-OG1 3.44Å
437Q97Very high96.9Very high57 Ų5732 Ų3227%0.26617%0.171SC..Hα-helixtrans-59.5-44.1173.4-75.1168.8-13.700111.9P150 F152 I433 Q434P150-Q437 VanDerWaalsContact O-CG 3.25Å; P150-Q437 WeakPolarHBondContact O-CG 3.42Å; P150-Q437 PolarHBondContact O-NE2 2.95Å; F152-Q437 HydrophobicContact CD2-CG 4.23Å; F152-Q437 HydrophobicContact CE2-CG 4.23Å; I433-Q437 WeakPolarHBondContact O-CB 3.27Å; I433-Q437 VanDerWaalsContact O-CG 3.24Å; I433-Q437 WeakPolarHBondContact O-CG 3.18Å; I433-Q437 PolarHBondContact O-N 3.42Å; Q434-Q437 WeakPolarHBondContact O-CB 3.48Å; Q434-Q437 PolarHBondContact O-N 3.09Å
438K97.1Very high96.8Very high70 Ų7032.6 Ų32.630%0.30418%0.175SC..Hα-helixtrans-64.7-46.7176.9-163.9-179.9-176.1178.30110.7D288 M289 D291 Q434 L435 V436 T440 K441D288-K438 PolarHBondContact O-NZ 3.49Å; M289-K438 WeakPolarHBondContact O-CD 3.33Å; M289-K438 HydrophobicContact SD-CB 4.48Å; M289-K438 HydrophobicContact SD-CD 3.98Å; M289-K438 HydrophobicContact SD-CG 3.86Å; D291-K438 PolarHBondContact O-NZ 3.05Å; D291-K438 VanDerWaalsContact O-NZ 3.08Å; Q434-K438 WeakPolarHBondContact O-CB 3.22Å; Q434-K438 PolarHBondContact O-N 2.89Å; L435-K438 PolarHBondContact O-N 3.46Å; V436-K438 VanDerWaalsContact C-N 3.35Å; V436-K438 PolarHBondContact O-N 3.05Å; K438-T440 PolarHBondContact O-N 2.81Å; K438-K441 WeakPolarHBondContact O-CB 3.26Å; K438-K441 PolarHBondContact O-N 3.23Å
439A97.3Very high96.9Very high4 Ų432.6 Ų32.63%0.03317%0.174CC..Hα-helixtrans-66-37.1-178.800000113.1I365 L369 L435 V436 K441 T442 L443I365-A439 HydrophobicContact CB-CB 4.47Å; I365-A439 HydrophobicContact CD1-CB 3.74Å; I365-A439 HydrophobicContact CG1-CB 3.7Å; I365-A439 HydrophobicContact CG2-CB 4Å; L369-A439 HydrophobicContact CD2-CB 3.59Å; L435-A439 WeakPolarHBondContact O-CB 3.48Å; L435-A439 PolarHBondContact O-N 3.07Å; V436-A439 PolarHBondContact O-N 2.96Å; A439-K441 PolarHBondContact O-N 2.85Å; A439-T442 PolarHBondContact O-N 2.91Å; A439-T442 PolarHBondContact O-OG1 3.44Å; A439-L443 PolarHBondContact O-N 3.14Å
440T96Very high97Very high3 Ų330.6 Ų30.62%0.01815%0.153CC..Hα-helixtrans-60.8-29.7177.7-58.40000111.9P153 V436 K438 T442 L443 M517 H522P153-T440 HydrophobicContact CG-CG2 4.42Å; V436-T440 WeakPolarHBondContact O-CB 3.34Å; V436-T440 PolarHBondContact O-N 3.47Å; V436-T440 PolarHBondContact O-OG1 3.44Å; K438-T440 PolarHBondContact O-N 2.81Å; T440-T442 PolarHBondContact O-N 3.18Å; T440-L443 PolarHBondContact O-N 3.22Å; T440-M517 HydrophobicContact CG2-CE 4.44Å; T440-H522 PolarHBondContact O-NE2 2.77Å; T440-H522 VanDerWaalsContact O-NE2 3.09Å
441K93.8Very high97Very high146 Ų14630.9 Ų30.964%0.63515%0.151SC*.THydrogen-bonded Turntrans-69-10.7174.6-65.4175.5-177.3178.70114.5K438 A439 H522K438-K441 WeakPolarHBondContact O-CB 3.26Å; K438-K441 PolarHBondContact O-N 3.23Å; A439-K441 PolarHBondContact O-N 2.85Å; K441-H522 VanDerWaalsContact C-CD2 3.41Å; K441-H522 VanDerWaalsContact C-NE2 3.35Å; K441-H522 VanDerWaalsContact CA-NE2 3.29Å; K441-H522 WeakPolarHBondContact CA-NE2 3.22Å; K441-H522 PolarHBondContact O-CD2 2.86Å; K441-H522 PolarHBondContact O-NE2 3.43Å
442T92Very high97Very high78 Ų7833.6 Ų33.648%0.47917%0.165SC..THydrogen-bonded Turntrans-120.2-0.3179.863.10000112.6M289 A439 T440 T444M289-T442 HydrophobicContact CE-CG2 3.69Å; A439-T442 PolarHBondContact O-N 2.91Å; A439-T442 PolarHBondContact O-OG1 3.44Å; T440-T442 PolarHBondContact O-N 3.18Å; T442-T444 PolarHBondContact O-N 2.79Å
443L95.5Very high96.9Very high0 Ų034.3 Ų34.30%017%0.169CC..  trans-76.7113-178.9179.461.1000109.8L369 R370 M374 A439 T440 L448 M517 C523L369-L443 HydrophobicContact CD1-CD2 4.29Å; L369-L443 HydrophobicContact CG-CD2 4.42Å; R370-L443 HydrophobicContact CG-CD1 4.47Å; R370-L443 VanDerWaalsContact NH1-CD1 3.27Å; M374-L443 HydrophobicContact CG-CD2 3.98Å; M374-L443 HydrophobicContact SD-CD2 3.53Å; M374-L443 VanDerWaalsContact SD-CD2 3.53Å; A439-L443 PolarHBondContact O-N 3.14Å; T440-L443 PolarHBondContact O-N 3.22Å; L443-L448 HydrophobicContact CD1-CD2 4.1Å; L443-L448 HydrophobicContact CD1-CG 4.33Å; L443-M517 HydrophobicContact CD2-CE 3.87Å; L443-M517 HydrophobicContact CG-CE 4.31Å; L443-C523 WeakPolarHBondContact O-CA 3.38Å
444T95.9Very high96.9Very high28 Ų2832.9 Ų32.917%0.17216%0.162CC..  trans-109.7155173.474.50000111.8T442 R446 S447 H522 C523 E524T442-T444 PolarHBondContact O-N 2.79Å; T444-R446 VanDerWaalsContact C-N 3.26Å; T444-R446 PolarHBondContact O-N 3.1Å; T444-S447 PolarHBondContact N-OG 3.17Å; T444-S447 WeakPolarHBondContact O-CB 3.29Å; T444-S447 PolarHBondContact O-N 3.26Å; T444-S447 VanDerWaalsContact O-N 3.11Å; T444-S447 PolarHBondContact O-OG 3.06Å; T444-S447 WeakPolarHBondContact OG1-CB 3.09Å; T444-S447 PolarHBondContact OG1-N 3.08Å; T444-H522 WeakPolarHBondContact CG2-O 3.38Å; T444-C523 CarbonylContact C-O 3.48Å; T444-C523 WeakPolarHBondContact CA-O 3.26Å; T444-E524 HydrophobicContact CG2-CG 4.33Å
445F96.1Very high96.9Very high4 Ų436.5 Ų36.52%0.01818%0.177CC..SBendtrans-56.8-42.1171.5178.8-98.3000111.6S447 L448 C449 C523 F525 Y538 V541F445-S447 VanDerWaalsContact C-N 3.25Å; F445-S447 PolarHBondContact O-N 3.1Å; F445-L448 WeakPolarHBondContact O-CA 3.36Å; F445-L448 WeakPolarHBondContact O-CB 3.46Å; F445-L448 PolarHBondContact O-N 3.24Å; F445-C449 PolarHBondContact O-N 2.98Å; F445-C523 PolarHBondContact N-O 3.41Å; F445-F525 HydrophobicContact CB-CD1 4.2Å; F445-F525 HydrophobicContact CB-CD2 3.92Å; F445-F525 HydrophobicContact CB-CE1 4.37Å; F445-F525 HydrophobicContact CB-CE2 4.1Å; F445-F525 HydrophobicContact CB-CG 3.97Å; F445-F525 HydrophobicContact CB-CZ 4.32Å; F445-F525 AromaticContact CD2-CD1 3.86Å; F445-F525 HydrophobicContact CD2-CD1 3.86Å; F445-F525 AromaticContact CD2-CE1 3.85Å; F445-F525 HydrophobicContact CD2-CE1 3.85Å; F445-F525 HydrophobicContact CD2-CG 4.46Å; F445-F525 HydrophobicContact CD2-CZ 4.42Å; F445-F525 HydrophobicContact CG-CD1 4.46Å; F445-Y538 HydrophobicContact CD2-CD2 4.39Å; F445-Y538 HydrophobicContact CD2-CE2 4.21Å; F445-Y538 AromaticContact CE2-CD2 3.51Å; F445-Y538 HydrophobicContact CE2-CD2 3.51Å; F445-Y538 AromaticContact CE2-CE2 3.68Å; F445-Y538 HydrophobicContact CE2-CE2 3.68Å; F445-Y538 HydrophobicContact CE2-CG 4.25Å; F445-Y538 AromaticContact CZ-CD2 3.66Å; F445-Y538 HydrophobicContact CZ-CD2 3.66Å; F445-Y538 HydrophobicContact CZ-CE2 4.28Å; F445-Y538 HydrophobicContact CZ-CG 4.27Å; F445-V541 HydrophobicContact CE1-CG2 4.35Å; F445-V541 HydrophobicContact CE2-CB 4.1Å; F445-V541 HydrophobicContact CE2-CG1 4.01Å; F445-V541 HydrophobicContact CE2-CG2 4.03Å; F445-V541 HydrophobicContact CZ-CB 4.15Å; F445-V541 HydrophobicContact CZ-CG1 4.48Å; F445-V541 HydrophobicContact CZ-CG2 3.67Å
446R95.3Very high96.9Very high95 Ų9541.2 Ų41.236%0.35821%0.209SC..G310 helixtrans-61.6-32176.8-68.5-70.7151.1-159.8-5.8113T444 L448 C449 D452 E537T444-R446 VanDerWaalsContact C-N 3.26Å; T444-R446 PolarHBondContact O-N 3.1Å; R446-L448 PolarHBondContact O-N 2.97Å; R446-C449 WeakPolarHBondContact O-CB 3.45Å; R446-C449 PolarHBondContact O-N 3.03Å; R446-C449 VanDerWaalsContact O-N 3.08Å; R446-D452 WeakPolarHBondContact CD-OD2 3.24Å; R446-D452 IonicContact CZ-OD2 2.86Å; R446-D452 IonicContact NH1-OD2 3.01Å; R446-D452 PolarHBondContact NH1-OD2 3.48Å; R446-E537 IonicContact CZ-OE1 3.38Å; R446-E537 IonicContact CZ-OE2 3.56Å; R446-E537 VanDerWaalsContact CZ-OE2 3.27Å; R446-E537 IonicContact NH1-OE1 3.6Å; R446-E537 PolarHBondContact NH1-OE1 2.84Å; R446-E537 IonicContact NH1-OE2 3.46Å; R446-E537 PolarHBondContact NH1-OE2 2.89Å; R446-E537 IonicContact NH2-OE1 3.63Å; R446-E537 IonicContact NH2-OE2 2.73Å; R446-E537 PolarHBondContact NH2-OE2 3.02Å
447S96.2Very high96.8Very high23 Ų2342.2 Ų42.216%0.16121%0.213CC..G310 helixtrans-67.2-16.3174.382.10000113.5R370 T444 F445R370-S447 PolarHBondContact NH1-OG 3.46Å; R370-S447 VanDerWaalsContact NH2-C 3.3Å; R370-S447 VanDerWaalsContact NH2-CB 3.32Å; R370-S447 PolarHBondContact NH2-O 2.82Å; R370-S447 PolarHBondContact NH2-OG 2.77Å; T444-S447 PolarHBondContact N-OG 3.17Å; T444-S447 WeakPolarHBondContact O-CB 3.29Å; T444-S447 PolarHBondContact O-N 3.26Å; T444-S447 VanDerWaalsContact O-N 3.11Å; T444-S447 PolarHBondContact O-OG 3.06Å; T444-S447 WeakPolarHBondContact OG1-CB 3.09Å; T444-S447 PolarHBondContact OG1-N 3.08Å; F445-S447 VanDerWaalsContact C-N 3.25Å; F445-S447 PolarHBondContact O-N 3.1Å
448L97.9Very high96.9Very high14 Ų1440.5 Ų40.57%0.07321%0.211CC..G310 helixtrans-92-15.5173-57.9174.8000112.5M374 F378 L443 F445 R446 F450 F525 V541M374-L448 HydrophobicContact CE-CD1 4.12Å; M374-L448 HydrophobicContact CG-CD1 4.34Å; F378-L448 HydrophobicContact CZ-CD1 4.45Å; L443-L448 HydrophobicContact CD1-CD2 4.1Å; L443-L448 HydrophobicContact CD1-CG 4.33Å; F445-L448 WeakPolarHBondContact O-CA 3.36Å; F445-L448 WeakPolarHBondContact O-CB 3.46Å; F445-L448 PolarHBondContact O-N 3.24Å; R446-L448 PolarHBondContact O-N 2.97Å; L448-F450 PolarHBondContact O-N 2.76Å; L448-F525 HydrophobicContact CD1-CE1 4.48Å; L448-F525 HydrophobicContact CD1-CZ 3.89Å; L448-V541 HydrophobicContact CB-CG1 3.63Å; L448-V541 HydrophobicContact CD1-CG1 4.35Å
449C98.6Very high96.9Very high1 Ų137.2 Ų37.21%0.00720%0.197CC..SBendtrans-73.5111.3170.7-64.80000109.2F445 R446 D452 M453 W478 V541F445-C449 PolarHBondContact O-N 2.98Å; R446-C449 WeakPolarHBondContact O-CB 3.45Å; R446-C449 PolarHBondContact O-N 3.03Å; R446-C449 VanDerWaalsContact O-N 3.08Å; C449-D452 HydrophobicContact CB-CB 3.9Å; C449-D452 WeakPolarHBondContact CB-OD2 3.31Å; C449-D452 PolarHBondContact O-N 2.9Å; C449-D452 VanDerWaalsContact O-N 3.11Å; C449-M453 WeakPolarHBondContact O-CB 3.27Å; C449-M453 PolarHBondContact O-N 2.84Å; C449-W478 HydrophobicContact CB-CH2 4.24Å; C449-V541 HydrophobicContact CB-CG2 4.49Å; C449-V541 VanDerWaalsContact SG-CG2 3.51Å
450F98.8Very high96.9Very high2 Ų240.3 Ų40.31%0.00921%0.213CC..Hα-helixtrans-57.2-47.1-171-177.9-90.6000113.9L448 D452 M453 I454 Y470 G474 Y475 W478 F544 M662L448-F450 PolarHBondContact O-N 2.76Å; F450-D452 PolarHBondContact O-N 2.79Å; F450-M453 HydrophobicContact CD2-CE 3.74Å; F450-M453 HydrophobicContact CE2-CE 3.95Å; F450-M453 HydrophobicContact CG-CE 4.49Å; F450-M453 PolarHBondContact O-N 3.28Å; F450-I454 HydrophobicContact CD1-CG1 4.25Å; F450-I454 HydrophobicContact CE1-CD1 4.44Å; F450-I454 HydrophobicContact CE1-CG1 3.86Å; F450-I454 HydrophobicContact CE2-CD1 4.39Å; F450-I454 HydrophobicContact CE2-CG1 4.39Å; F450-I454 HydrophobicContact CZ-CD1 4.05Å; F450-I454 HydrophobicContact CZ-CG1 3.96Å; F450-I454 WeakPolarHBondContact O-CG1 3.43Å; F450-I454 PolarHBondContact O-N 2.71Å; F450-Y470 HydrophobicContact CE2-CD1 4.5Å; F450-Y470 AromaticContact CE2-CE1 3.8Å; F450-Y470 HydrophobicContact CE2-CE1 3.8Å; F450-Y470 HydrophobicContact CE2-CE2 4.09Å; F450-Y470 AromaticContact CE2-CZ 3.57Å; F450-Y470 HydrophobicContact CZ-CE1 4.28Å; F450-G474 VanDerWaalsContact CZ-CA 3.5Å; F450-Y475 HydrophobicContact CE1-CD2 4.12Å; F450-Y475 HydrophobicContact CE1-CE2 4.49Å; F450-Y475 HydrophobicContact CE1-CG 4.16Å; F450-Y475 VanDerWaalsContact CE1-N 3.3Å; F450-W478 HydrophobicContact CB-CD2 3.95Å; F450-W478 HydrophobicContact CB-CE3 3.48Å; F450-W478 VanDerWaalsContact CB-CE3 3.48Å; F450-W478 HydrophobicContact CB-CG 4.42Å; F450-W478 HydrophobicContact CB-CZ3 3.96Å; F450-W478 HydrophobicContact CD1-CB 4.49Å; F450-F544 HydrophobicContact CB-CD1 4.28Å; F450-F544 HydrophobicContact CB-CE1 3.8Å; F450-F544 HydrophobicContact CB-CZ 4.08Å; F450-F544 HydrophobicContact CD1-CZ 4.46Å; F450-F544 AromaticContact CD2-CE1 3.51Å; F450-F544 HydrophobicContact CD2-CE1 3.51Å; F450-F544 AromaticContact CD2-CZ 3.6Å; F450-F544 HydrophobicContact CD2-CZ 3.6Å; F450-F544 HydrophobicContact CE2-CE1 4.29Å; F450-F544 HydrophobicContact CE2-CZ 4.08Å; F450-F544 AromaticContact CG-CE1 3.85Å; F450-F544 HydrophobicContact CG-CE1 3.85Å; F450-F544 AromaticContact CG-CZ 3.8Å; F450-F544 HydrophobicContact CG-CZ 3.8Å; F450-M662 HydrophobicContact CE2-CE 4.31Å
451P98.6Very high96.9Very high26 Ų2641.8 Ų41.817%0.16922%0.223CC..Hα-helixtrans-57.1-46.1174.1-28.538.1000113.4M453 I454 K455 Y475 W478P451-M453 PolarHBondContact O-N 3.46Å; P451-I454 PolarHBondContact O-N 3.21Å; P451-K455 VanDerWaalsContact O-CB 3.31Å; P451-K455 WeakPolarHBondContact O-CB 3.3Å; P451-K455 PolarHBondContact O-N 3.06Å; P451-Y475 HydrophobicContact CB-CE1 3.7Å; P451-Y475 HydrophobicContact CG-CD1 4.27Å; P451-Y475 HydrophobicContact CG-CE1 3.81Å; P451-W478 VanDerWaalsContact CD-CE2 3.42Å; P451-W478 HydrophobicContact CG-CD2 4.29Å; P451-W478 HydrophobicContact CG-CG 4.18Å; P451-W478 HydrophobicContact CG-CZ2 4.5Å
452D98.3Very high96.9Very high57 Ų5738.8 Ų38.831%0.30522%0.217SC..Hα-helixtrans-64.9-41.6-178.4-64.7-21.6000110.7R446 C449 F450 I454 K455 S456R446-D452 WeakPolarHBondContact CD-OD2 3.24Å; R446-D452 IonicContact CZ-OD2 2.86Å; R446-D452 IonicContact NH1-OD2 3.01Å; R446-D452 PolarHBondContact NH1-OD2 3.48Å; C449-D452 HydrophobicContact CB-CB 3.9Å; C449-D452 WeakPolarHBondContact CB-OD2 3.31Å; C449-D452 PolarHBondContact O-N 2.9Å; C449-D452 VanDerWaalsContact O-N 3.11Å; F450-D452 PolarHBondContact O-N 2.79Å; D452-I454 PolarHBondContact O-N 3.28Å; D452-K455 PolarHBondContact O-N 3.13Å; D452-S456 VanDerWaalsContact O-CB 3.26Å; D452-S456 WeakPolarHBondContact O-CB 3.43Å; D452-S456 PolarHBondContact O-N 2.84Å; D452-S456 PolarHBondContact O-OG 3.1Å
453M97.6Very high96.9Very high20 Ų2043.2 Ų43.210%0.09923%0.232CC..Hα-helixtrans-64.5-35.5176.8-177.5-149.558.600113.1C449 F450 P451 S456 R457 Y470C449-M453 WeakPolarHBondContact O-CB 3.27Å; C449-M453 PolarHBondContact O-N 2.84Å; F450-M453 HydrophobicContact CD2-CE 3.74Å; F450-M453 HydrophobicContact CE2-CE 3.95Å; F450-M453 HydrophobicContact CG-CE 4.49Å; F450-M453 PolarHBondContact O-N 3.28Å; P451-M453 PolarHBondContact O-N 3.46Å; M453-S456 PolarHBondContact O-OG 2.97Å; M453-R457 WeakPolarHBondContact O-CG 3.49Å; M453-R457 PolarHBondContact O-NE 3.4Å; M453-Y470 HydrophobicContact CE-CE1 4.16Å
454I98.6Very high96.7Very high0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-73.1-45.8175.3-66.2-68.8000110.2F450 P451 D452 R457 M459 D460 Y468 Y470 R471 Y475F450-I454 HydrophobicContact CD1-CG1 4.25Å; F450-I454 HydrophobicContact CE1-CD1 4.44Å; F450-I454 HydrophobicContact CE1-CG1 3.86Å; F450-I454 HydrophobicContact CE2-CD1 4.39Å; F450-I454 HydrophobicContact CE2-CG1 4.39Å; F450-I454 HydrophobicContact CZ-CD1 4.05Å; F450-I454 HydrophobicContact CZ-CG1 3.96Å; F450-I454 WeakPolarHBondContact O-CG1 3.43Å; F450-I454 PolarHBondContact O-N 2.71Å; P451-I454 PolarHBondContact O-N 3.21Å; D452-I454 PolarHBondContact O-N 3.28Å; I454-R457 PolarHBondContact O-N 2.99Å; I454-M459 HydrophobicContact CG2-CB 4.31Å; I454-M459 PolarHBondContact O-N 3.33Å; I454-D460 HydrophobicContact CG2-CB 3.89Å; I454-Y468 HydrophobicContact CD1-CE1 4.43Å; I454-Y470 HydrophobicContact CD1-CD1 4.49Å; I454-Y470 HydrophobicContact CD1-CE1 4.19Å; I454-R471 HydrophobicContact CD1-CB 4.1Å; I454-R471 HydrophobicContact CD1-CG 4.12Å; I454-R471 HydrophobicContact CG1-CG 4.28Å; I454-R471 HydrophobicContact CG2-CG 3.82Å; I454-Y475 HydrophobicContact CB-CE2 4.38Å; I454-Y475 HydrophobicContact CG1-CE2 4.45Å; I454-Y475 HydrophobicContact CG2-CE2 4.07Å
455K98.1Very high96.6Very high138 Ų13844.3 Ų44.360%0.624%0.236SC*.Hα-helixtrans-67.5-39.4-176.6-175.2178.3-180-178.50112.4P451 D452 R457 G458 D460P451-K455 VanDerWaalsContact O-CB 3.31Å; P451-K455 WeakPolarHBondContact O-CB 3.3Å; P451-K455 PolarHBondContact O-N 3.06Å; D452-K455 PolarHBondContact O-N 3.13Å; K455-R457 PolarHBondContact O-N 3.49Å; K455-R457 VanDerWaalsContact O-N 3.16Å; K455-G458 PolarHBondContact O-N 3.42Å; K455-D460 HydrophobicContact CB-CB 4.49Å
456S97.2Very high96.4Very high98 Ų9846.9 Ų46.969%0.68525%0.253SS*.Hα-helixtrans-61-25178.566.30000113D452 M453D452-S456 VanDerWaalsContact O-CB 3.26Å; D452-S456 WeakPolarHBondContact O-CB 3.43Å; D452-S456 PolarHBondContact O-N 2.84Å; D452-S456 PolarHBondContact O-OG 3.1Å; M453-S456 PolarHBondContact O-OG 2.97Å
457R97.9Very high96.4Very high22 Ų2244.6 Ų44.68%0.08325%0.25CC..THydrogen-bonded Turntrans-88.9-3.1174.7-61.7-170.9-69.7145.7-17.9113.7V244 I246 C247 K248 M453 I454 K455 M459 Y468V244-R457 VanDerWaalsContact C-CZ 3.48Å; V244-R457 VanDerWaalsContact O-CD 3.32Å; V244-R457 WeakPolarHBondContact O-CD 3.49Å; V244-R457 PolarHBondContact O-NE 2.8Å; V244-R457 PolarHBondContact O-NH1 3.14Å; V244-R457 VanDerWaalsContact O-NH1 3.08Å; I246-R457 PolarHBondContact O-NH1 2.73Å; C247-R457 WeakPolarHBondContact CA-O 3.33Å; C247-R457 HydrophobicContact CB-CB 4.29Å; C247-R457 WeakPolarHBondContact SG-CG 3.19Å; K248-R457 PolarHBondContact N-O 3.18Å; M453-R457 WeakPolarHBondContact O-CG 3.49Å; M453-R457 PolarHBondContact O-NE 3.4Å; I454-R457 PolarHBondContact O-N 2.99Å; K455-R457 PolarHBondContact O-N 3.49Å; K455-R457 VanDerWaalsContact O-N 3.16Å; R457-M459 VanDerWaalsContact C-N 3.32Å; R457-M459 HydrophobicContact CB-CG 3.71Å; R457-M459 WeakPolarHBondContact O-CG 3.22Å; R457-M459 PolarHBondContact O-N 3.34Å; R457-Y468 PolarHBondContact NH1-OH 3.23Å; R457-Y468 VanDerWaalsContact NH1-OH 3.14Å; R457-Y468 PolarHBondContact NH2-OH 2.84Å
458G98Very high96.5Very high22 Ų2243.5 Ų43.523%0.22724%0.242CC..THydrogen-bonded Turntrans67.130.1-175.500000113.7K455K455-G458 PolarHBondContact O-N 3.42Å
459M98Very high96.5Very high0 Ų043.4 Ų43.40%024%0.241CC..  trans-110.810-172.8-53-59.1-77.500113.8L238 I246 K248 F283 I454 R457 L465 Y468 R471L238-M459 HydrophobicContact CD2-CE 4.04Å; I246-M459 HydrophobicContact CB-CE 4.47Å; I246-M459 HydrophobicContact CD1-CE 4.27Å; I246-M459 HydrophobicContact CG1-CE 3.98Å; I246-M459 HydrophobicContact CG2-CE 3.9Å; I246-M459 WeakPolarHBondContact O-CG 3.49Å; K248-M459 HydrophobicContact CB-SD 4.39Å; F283-M459 HydrophobicContact CD1-CE 3.64Å; F283-M459 HydrophobicContact CD1-SD 3.61Å; F283-M459 HydrophobicContact CE1-CE 3.67Å; F283-M459 HydrophobicContact CE1-SD 3.56Å; F283-M459 VanDerWaalsContact CE1-SD 3.56Å; I454-M459 HydrophobicContact CG2-CB 4.31Å; I454-M459 PolarHBondContact O-N 3.33Å; R457-M459 VanDerWaalsContact C-N 3.32Å; R457-M459 HydrophobicContact CB-CG 3.71Å; R457-M459 WeakPolarHBondContact O-CG 3.22Å; R457-M459 PolarHBondContact O-N 3.34Å; M459-L465 HydrophobicContact CB-CD1 4.47Å; M459-L465 HydrophobicContact CE-CD1 3.26Å; M459-L465 HydrophobicContact SD-CD1 4Å; M459-Y468 HydrophobicContact CB-CD1 4.25Å; M459-Y468 HydrophobicContact CB-CE1 3.71Å; M459-Y468 HydrophobicContact CE-CE1 4.32Å; M459-Y468 HydrophobicContact CG-CE1 4.37Å; M459-R471 WeakPolarHBondContact O-CD 3.34Å; M459-R471 PolarHBondContact O-NH1 2.9Å
460D96.8Very high96.5Very high69 Ų6943.3 Ų43.337%0.36924%0.24SC..  trans-78-18.8-173.857.1-43.3000114.5I454 K455 T462I454-D460 HydrophobicContact CG2-CB 3.89Å; K455-D460 HydrophobicContact CB-CB 4.49Å; D460-T462 PolarHBondContact O-N 3.44Å
461S95.7Very high96.5Very high34 Ų3443.2 Ų43.224%0.23824%0.24CC..  trans-71.8113.6-179.4179.30000113.4E464 L465 R471S461-E464 WeakPolarHBondContact OG-CG 3.34Å; S461-E464 PolarHBondContact OG-N 3.36Å; S461-L465 PolarHBondContact O-N 3.09Å; S461-L465 VanDerWaalsContact O-N 3.17Å; S461-R471 VanDerWaalsContact C-NH1 3.28Å; S461-R471 PolarHBondContact O-NH1 2.69Å
462T94.6Very high96.5Very high83 Ų8343.7 Ų43.751%0.50924%0.241SC..THydrogen-bonded Turntrans-72.4-28.8176.154.50000113.2D460 L465 P466D460-T462 PolarHBondContact O-N 3.44Å; T462-L465 CarbonylContact O-C 3.56Å; T462-P466 WeakPolarHBondContact O-CA 3.35Å
463E92.1Very high96.5Very high171 Ų17141 Ų4180%0.79923%0.226SC*.THydrogen-bonded Turntrans-70-39.6175.6-63.2-177.6177.800111.4
464E90.8Very high96.6Very high50 Ų5040 Ų4023%0.23422%0.222CC..THydrogen-bonded Turntrans-75.5-39.1-179.6-70.1176.7168.800112.6K248 R315 S461 P466K248-E464 WeakPolarHBondContact CE-OE2 3.48Å; K248-E464 IonicContact NZ-OE1 3.13Å; K248-E464 PolarHBondContact NZ-OE1 2.83Å; K248-E464 IonicContact NZ-OE2 2.68Å; K248-E464 PolarHBondContact NZ-OE2 2.74Å; R315-E464 WeakPolarHBondContact CD-O 3.25Å; R315-E464 VanDerWaalsContact NH1-CA 3.27Å; R315-E464 PolarHBondContact NH1-O 3.27Å; S461-E464 WeakPolarHBondContact OG-CG 3.34Å; S461-E464 PolarHBondContact OG-N 3.36Å; E464-P466 VanDerWaalsContact C-CD 3.49Å; E464-P466 WeakPolarHBondContact O-CD 3.32Å
465L93.4Very high96.6Very high1 Ų143 Ų431%0.00523%0.234CC..  trans-124.773.1-176.5-64172.7000110.7F283 I321 M459 S461 T462 T467 Y468 R471F283-L465 HydrophobicContact CE1-CD1 3.98Å; F283-L465 HydrophobicContact CE1-CD2 4.32Å; F283-L465 HydrophobicContact CE2-CD2 4.5Å; F283-L465 HydrophobicContact CZ-CD1 4.27Å; F283-L465 HydrophobicContact CZ-CD2 3.89Å; F283-L465 HydrophobicContact CZ-CG 4.36Å; I321-L465 HydrophobicContact CD1-CD2 3.88Å; I321-L465 HydrophobicContact CG1-CD2 4.39Å; M459-L465 HydrophobicContact CB-CD1 4.47Å; M459-L465 HydrophobicContact CE-CD1 3.26Å; M459-L465 HydrophobicContact SD-CD1 4Å; S461-L465 PolarHBondContact O-N 3.09Å; S461-L465 VanDerWaalsContact O-N 3.17Å; T462-L465 CarbonylContact O-C 3.56Å; L465-T467 PolarHBondContact O-N 3.34Å; L465-T467 VanDerWaalsContact O-N 3.1Å; L465-Y468 HydrophobicContact CD1-CD1 4.39Å; L465-Y468 PolarHBondContact O-N 3.46Å; L465-R471 PolarHBondContact O-NH2 3.27Å
466P93.1Very high96.6Very high58 Ų5840.4 Ų40.438%0.37722%0.222SC..THydrogen-bonded Turntrans-70.9-6.5-175.629-36.7000114N319 T462 E464N319-P466 HydrophobicContact CB-CG 4.16Å; T462-P466 WeakPolarHBondContact O-CA 3.35Å; E464-P466 VanDerWaalsContact C-CD 3.49Å; E464-P466 WeakPolarHBondContact O-CD 3.32Å
467T93.8Very high96.7Very high48 Ų4835.7 Ų35.729%0.29419%0.189SC..THydrogen-bonded Turntrans-114.321.6-178.362.20000113.1N239 L465 F469N239-T467 PolarHBondContact ND2-O 3.31Å; N239-T467 PolarHBondContact OD1-O 2.85Å; L465-T467 PolarHBondContact O-N 3.34Å; L465-T467 VanDerWaalsContact O-N 3.1Å; T467-F469 HydrophobicContact CG2-CZ 4.36Å; T467-F469 PolarHBondContact O-N 2.8Å
468Y98.2Very high96.8Very high0 Ų034.9 Ų34.90%019%0.186CC..  trans-93.477.5175.9-165.1-177.2000110.5L238 P243 I454 R457 M459 L465 Y470 R471 D472L238-Y468 HydrophobicContact CB-CD2 3.72Å; L238-Y468 HydrophobicContact CB-CE2 4.15Å; L238-Y468 HydrophobicContact CB-CG 4.29Å; L238-Y468 HydrophobicContact CD2-CD1 3.96Å; L238-Y468 HydrophobicContact CD2-CD2 3.85Å; L238-Y468 HydrophobicContact CD2-CE1 4.13Å; L238-Y468 HydrophobicContact CD2-CE2 4Å; L238-Y468 HydrophobicContact CD2-CG 3.81Å; L238-Y468 HydrophobicContact CG-CD2 4.34Å; L238-Y468 WeakPolarHBondContact O-CD2 3.11Å; L238-Y468 WeakPolarHBondContact O-CE2 3.43Å; P243-Y468 HydrophobicContact CB-CE2 4.29Å; P243-Y468 PolarHBondContact O-OH 3.38Å; I454-Y468 HydrophobicContact CD1-CE1 4.43Å; R457-Y468 PolarHBondContact NH1-OH 3.23Å; R457-Y468 VanDerWaalsContact NH1-OH 3.14Å; R457-Y468 PolarHBondContact NH2-OH 2.84Å; M459-Y468 HydrophobicContact CB-CD1 4.25Å; M459-Y468 HydrophobicContact CB-CE1 3.71Å; M459-Y468 HydrophobicContact CE-CE1 4.32Å; M459-Y468 HydrophobicContact CG-CE1 4.37Å; L465-Y468 HydrophobicContact CD1-CD1 4.39Å; L465-Y468 PolarHBondContact O-N 3.46Å; Y468-Y470 AromaticContact CE2-CD1 3.79Å; Y468-Y470 HydrophobicContact CE2-CD1 3.79Å; Y468-Y470 HydrophobicContact CE2-CG 4.4Å; Y468-Y470 PolarHBondContact O-N 3.27Å; Y468-R471 HydrophobicContact CD1-CB 3.66Å; Y468-R471 HydrophobicContact CD1-CG 4.42Å; Y468-R471 HydrophobicContact CD2-CB 4.05Å; Y468-R471 HydrophobicContact CE1-CB 3.99Å; Y468-R471 HydrophobicContact CE2-CB 4.38Å; Y468-R471 HydrophobicContact CG-CB 3.7Å; Y468-R471 WeakPolarHBondContact O-CB 3.28Å; Y468-R471 PolarHBondContact O-N 2.72Å; Y468-D472 VanDerWaalsContact O-CG 3.3Å; Y468-D472 PolarHBondContact O-N 2.73Å; Y468-D472 VanDerWaalsContact O-N 3.11Å
469F98.4Very high96.8Very high11 Ų1138.3 Ų38.35%0.04820%0.197CC..Hα-helixtrans-71-33.2-169.5-54.2-43.7000113.5Y235 N239 T467 R471 D472 D473 K655 Y659Y235-F469 HydrophobicContact CE2-CE2 4.41Å; N239-F469 VanDerWaalsContact OD1-CB 3.3Å; N239-F469 WeakPolarHBondContact OD1-CB 3.34Å; N239-F469 WeakPolarHBondContact OD1-CD2 3.37Å; N239-F469 PolarHBondContact OD1-N 2.95Å; T467-F469 HydrophobicContact CG2-CZ 4.36Å; T467-F469 PolarHBondContact O-N 2.8Å; F469-R471 VanDerWaalsContact C-N 3.29Å; F469-R471 PolarHBondContact O-N 3.45Å; F469-D472 PolarHBondContact O-N 3.37Å; F469-D473 WeakPolarHBondContact O-CB 3.19Å; F469-D473 PolarHBondContact O-N 2.93Å; F469-K655 HydrophobicContact CE2-CD 4.28Å; F469-K655 HydrophobicContact CZ-CD 4.25Å; F469-Y659 HydrophobicContact CB-CD1 3.72Å; F469-Y659 HydrophobicContact CB-CG 3.82Å
470Y98.9Very high96.9Very high0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-55.6-46171.5165.8-106.2000111.6L238 P243 V244 F450 M453 I454 Y468 G474 Q549 A552 Y659 M662L238-Y470 WeakPolarHBondContact O-CB 3.47Å; P243-Y470 HydrophobicContact CB-CD1 3.97Å; P243-Y470 HydrophobicContact CB-CG 3.94Å; P243-Y470 HydrophobicContact CG-CD1 3.75Å; P243-Y470 HydrophobicContact CG-CD2 3.65Å; P243-Y470 HydrophobicContact CG-CE1 4.21Å; P243-Y470 HydrophobicContact CG-CE2 4.1Å; P243-Y470 HydrophobicContact CG-CG 3.44Å; P243-Y470 VanDerWaalsContact CG-CG 3.44Å; P243-Y470 WeakPolarHBondContact O-CD1 3.43Å; P243-Y470 WeakPolarHBondContact O-CE1 3.23Å; V244-Y470 HydrophobicContact CG1-CE1 4.11Å; F450-Y470 HydrophobicContact CE2-CD1 4.5Å; F450-Y470 AromaticContact CE2-CE1 3.8Å; F450-Y470 HydrophobicContact CE2-CE1 3.8Å; F450-Y470 HydrophobicContact CE2-CE2 4.09Å; F450-Y470 AromaticContact CE2-CZ 3.57Å; F450-Y470 HydrophobicContact CZ-CE1 4.28Å; M453-Y470 HydrophobicContact CE-CE1 4.16Å; I454-Y470 HydrophobicContact CD1-CD1 4.49Å; I454-Y470 HydrophobicContact CD1-CE1 4.19Å; Y468-Y470 AromaticContact CE2-CD1 3.79Å; Y468-Y470 HydrophobicContact CE2-CD1 3.79Å; Y468-Y470 HydrophobicContact CE2-CG 4.4Å; Y468-Y470 PolarHBondContact O-N 3.27Å; Y470-G474 WeakPolarHBondContact O-CA 3.48Å; Y470-G474 PolarHBondContact O-N 3.3Å; Y470-Q549 PolarHBondContact OH-NE2 3.45Å; Y470-Q549 PolarHBondContact OH-OE1 3.29Å; Y470-A552 HydrophobicContact CD2-CB 3.94Å; Y470-A552 HydrophobicContact CE2-CB 3.78Å; Y470-Y659 WeakPolarHBondContact CD2-OH 3.42Å; Y470-M662 HydrophobicContact CD2-CE 3.69Å; Y470-M662 HydrophobicContact CD2-CG 4.44Å; Y470-M662 HydrophobicContact CE2-CE 3.4Å; Y470-M662 VanDerWaalsContact CE2-CE 3.4Å
471R98.7Very high97Very high0 Ų035.4 Ų35.40%018%0.182CC..Hα-helixtrans-61-55174.8177.2-163.369.4-155.7-8111.2I454 M459 S461 L465 Y468 F469 D473 G474 Y475I454-R471 HydrophobicContact CD1-CB 4.1Å; I454-R471 HydrophobicContact CD1-CG 4.12Å; I454-R471 HydrophobicContact CG1-CG 4.28Å; I454-R471 HydrophobicContact CG2-CG 3.82Å; M459-R471 WeakPolarHBondContact O-CD 3.34Å; M459-R471 PolarHBondContact O-NH1 2.9Å; S461-R471 VanDerWaalsContact C-NH1 3.28Å; S461-R471 PolarHBondContact O-NH1 2.69Å; L465-R471 PolarHBondContact O-NH2 3.27Å; Y468-R471 HydrophobicContact CD1-CB 3.66Å; Y468-R471 HydrophobicContact CD1-CG 4.42Å; Y468-R471 HydrophobicContact CD2-CB 4.05Å; Y468-R471 HydrophobicContact CE1-CB 3.99Å; Y468-R471 HydrophobicContact CE2-CB 4.38Å; Y468-R471 HydrophobicContact CG-CB 3.7Å; Y468-R471 WeakPolarHBondContact O-CB 3.28Å; Y468-R471 PolarHBondContact O-N 2.72Å; F469-R471 VanDerWaalsContact C-N 3.29Å; F469-R471 PolarHBondContact O-N 3.45Å; R471-D473 VanDerWaalsContact C-N 3.34Å; R471-D473 PolarHBondContact O-N 3.41Å; R471-G474 PolarHBondContact O-N 3.4Å; R471-Y475 HydrophobicContact CG-CD2 3.64Å; R471-Y475 HydrophobicContact CG-CE2 3.55Å; R471-Y475 WeakPolarHBondContact O-CD2 3.5Å; R471-Y475 PolarHBondContact O-N 3.44Å
472D98.7Very high97.1Very high35 Ų3537.1 Ų37.119%0.18719%0.185CC..Hα-helixtrans-63.4-41.4-170.5-63.1-16.3000112.2Y468 F469 K476Y468-D472 VanDerWaalsContact O-CG 3.3Å; Y468-D472 PolarHBondContact O-N 2.73Å; Y468-D472 VanDerWaalsContact O-N 3.11Å; F469-D472 PolarHBondContact O-N 3.37Å; D472-K476 WeakPolarHBondContact O-CG 3.4Å
473D98.8Very high97.3Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-75.3-41.2177.9-64.8-16000110.9F469 R471 Y475 K476 V477 I648 R651 Y659 M662F469-D473 WeakPolarHBondContact O-CB 3.19Å; F469-D473 PolarHBondContact O-N 2.93Å; R471-D473 VanDerWaalsContact C-N 3.34Å; R471-D473 PolarHBondContact O-N 3.41Å; D473-Y475 VanDerWaalsContact C-N 3.33Å; D473-Y475 PolarHBondContact O-N 2.94Å; D473-K476 WeakPolarHBondContact O-CB 3.38Å; D473-K476 PolarHBondContact O-N 2.98Å; D473-K476 VanDerWaalsContact O-N 3.12Å; D473-V477 WeakPolarHBondContact O-CG2 3.32Å; D473-V477 PolarHBondContact O-N 2.81Å; D473-I648 HydrophobicContact CB-CD1 3.95Å; D473-I648 WeakPolarHBondContact OD1-CG1 3.27Å; D473-R651 IonicContact OD1-CZ 2.81Å; D473-R651 IonicContact OD1-NH1 3.7Å; D473-R651 PolarHBondContact OD1-NH1 2.86Å; D473-R651 IonicContact OD1-NH2 3.78Å; D473-R651 IonicContact OD2-CZ 2.66Å; D473-R651 VanDerWaalsContact OD2-CZ 3.24Å; D473-R651 IonicContact OD2-NH1 3.31Å; D473-R651 PolarHBondContact OD2-NH1 3.31Å; D473-R651 IonicContact OD2-NH2 2.88Å; D473-R651 PolarHBondContact OD2-NH2 3.38Å; D473-Y659 WeakPolarHBondContact OD2-CD1 3.38Å; D473-M662 HydrophobicContact CB-CB 3.52Å; D473-M662 HydrophobicContact CB-CG 4.3Å
474G98.8Very high97.6Very high0 Ų027 Ų270%014%0.136CC..Hα-helixtrans-59.6-39.7177.200000112.8F450 Y470 R471 K476 V477 W478F450-G474 VanDerWaalsContact CZ-CA 3.5Å; Y470-G474 WeakPolarHBondContact O-CA 3.48Å; Y470-G474 PolarHBondContact O-N 3.3Å; R471-G474 PolarHBondContact O-N 3.4Å; G474-K476 PolarHBondContact O-N 2.96Å; G474-V477 PolarHBondContact O-N 3.33Å; G474-W478 WeakPolarHBondContact O-CB 3.31Å; G474-W478 PolarHBondContact O-N 3.24Å
475Y98.8Very high98Very high64 Ų6424.6 Ų24.625%0.25113%0.125SC..Hα-helixtrans-61.3-43.9173.5-90.8-67.4000112.2F450 P451 I454 R471 D473 W478 E479F450-Y475 HydrophobicContact CE1-CD2 4.12Å; F450-Y475 HydrophobicContact CE1-CE2 4.49Å; F450-Y475 HydrophobicContact CE1-CG 4.16Å; F450-Y475 VanDerWaalsContact CE1-N 3.3Å; P451-Y475 HydrophobicContact CB-CE1 3.7Å; P451-Y475 HydrophobicContact CG-CD1 4.27Å; P451-Y475 HydrophobicContact CG-CE1 3.81Å; I454-Y475 HydrophobicContact CB-CE2 4.38Å; I454-Y475 HydrophobicContact CG1-CE2 4.45Å; I454-Y475 HydrophobicContact CG2-CE2 4.07Å; R471-Y475 HydrophobicContact CG-CD2 3.64Å; R471-Y475 HydrophobicContact CG-CE2 3.55Å; R471-Y475 WeakPolarHBondContact O-CD2 3.5Å; R471-Y475 PolarHBondContact O-N 3.44Å; D473-Y475 VanDerWaalsContact C-N 3.33Å; D473-Y475 PolarHBondContact O-N 2.94Å; Y475-W478 PolarHBondContact O-N 2.81Å; Y475-E479 WeakPolarHBondContact O-CB 2.97Å; Y475-E479 WeakPolarHBondContact O-CG 3.49Å; Y475-E479 PolarHBondContact O-N 3.31Å
476K98.9Very high98.3Very high82 Ų8227.1 Ų27.136%0.35714%0.143SC..Hα-helixtrans-62.6-45.4179.2-68.7172.8-175.4170.90111.5D472 D473 G474 A480 I644 S647D472-K476 WeakPolarHBondContact O-CG 3.4Å; D473-K476 WeakPolarHBondContact O-CB 3.38Å; D473-K476 PolarHBondContact O-N 2.98Å; D473-K476 VanDerWaalsContact O-N 3.12Å; G474-K476 PolarHBondContact O-N 2.96Å; K476-A480 WeakPolarHBondContact O-CB 3.47Å; K476-A480 PolarHBondContact O-N 3.24Å; K476-I644 HydrophobicContact CB-CD1 3.98Å; K476-I644 HydrophobicContact CB-CG1 4.06Å; K476-I644 HydrophobicContact CB-CG2 4.19Å; K476-I644 HydrophobicContact CD-CG2 4.43Å; K476-I644 WeakPolarHBondContact O-CD1 3.24Å; K476-S647 PolarHBondContact NZ-OG 3.2Å; K476-S647 VanDerWaalsContact NZ-OG 3.13Å
477V98.9Very high98.6Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-72.2-35.7-179.3-175.70000111.4D473 G474 T481 F544 S548 L617 I644 P664 I667D473-V477 WeakPolarHBondContact O-CG2 3.32Å; D473-V477 PolarHBondContact O-N 2.81Å; G474-V477 PolarHBondContact O-N 3.33Å; V477-T481 WeakPolarHBondContact O-CB 3.38Å; V477-T481 PolarHBondContact O-N 3.29Å; V477-T481 PolarHBondContact O-OG1 3.17Å; V477-F544 HydrophobicContact CB-CE2 4.29Å; V477-F544 HydrophobicContact CG1-CE2 4.4Å; V477-S548 WeakPolarHBondContact CG1-OG 3.25Å; V477-L617 HydrophobicContact CG1-CD2 3.85Å; V477-I644 HydrophobicContact CG2-CD1 4.48Å; V477-I644 HydrophobicContact CG2-CG2 4.1Å; V477-P664 HydrophobicContact CG2-CG 4.23Å; V477-I667 HydrophobicContact CG1-CD1 4.34Å; V477-I667 HydrophobicContact CG2-CD1 4.34Å
478W98.9Very high98.8Very high4 Ų424.7 Ų24.72%0.01513%0.125CC..Hα-helixtrans-59.1-51.1172.4175.5-88.7000111.3C449 F450 P451 G474 Y475 T481 K482 T540 V541 F544C449-W478 HydrophobicContact CB-CH2 4.24Å; F450-W478 HydrophobicContact CB-CD2 3.95Å; F450-W478 HydrophobicContact CB-CE3 3.48Å; F450-W478 VanDerWaalsContact CB-CE3 3.48Å; F450-W478 HydrophobicContact CB-CG 4.42Å; F450-W478 HydrophobicContact CB-CZ3 3.96Å; F450-W478 HydrophobicContact CD1-CB 4.49Å; P451-W478 VanDerWaalsContact CD-CE2 3.42Å; P451-W478 HydrophobicContact CG-CD2 4.29Å; P451-W478 HydrophobicContact CG-CG 4.18Å; P451-W478 HydrophobicContact CG-CZ2 4.5Å; G474-W478 WeakPolarHBondContact O-CB 3.31Å; G474-W478 PolarHBondContact O-N 3.24Å; Y475-W478 PolarHBondContact O-N 2.81Å; W478-T481 WeakPolarHBondContact O-CB 3.43Å; W478-T481 PolarHBondContact O-N 2.88Å; W478-K482 WeakPolarHBondContact O-CB 3.3Å; W478-K482 PolarHBondContact O-N 2.88Å; W478-T540 HydrophobicContact CD2-CG2 3.84Å; W478-T540 HydrophobicContact CE3-CG2 3.94Å; W478-T540 HydrophobicContact CH2-CG2 3.87Å; W478-T540 HydrophobicContact CZ2-CG2 3.78Å; W478-T540 HydrophobicContact CZ3-CG2 3.96Å; W478-V541 HydrophobicContact CH2-CG2 3.68Å; W478-V541 HydrophobicContact CZ3-CG2 4.31Å; W478-F544 HydrophobicContact CB-CD2 4.06Å; W478-F544 HydrophobicContact CB-CE2 3.85Å; W478-F544 HydrophobicContact CE3-CB 3.83Å; W478-F544 AromaticContact CE3-CD1 3.89Å; W478-F544 HydrophobicContact CE3-CD1 3.89Å; W478-F544 AromaticContact CE3-CD2 3.85Å; W478-F544 HydrophobicContact CE3-CD2 3.85Å; W478-F544 HydrophobicContact CE3-CE1 4.41Å; W478-F544 HydrophobicContact CE3-CE2 4.36Å; W478-F544 AromaticContact CE3-CG 3.58Å; W478-F544 HydrophobicContact CE3-CG 3.58Å; W478-F544 HydrophobicContact CZ3-CB 3.97Å; W478-F544 HydrophobicContact CZ3-CD1 4.22Å; W478-F544 HydrophobicContact CZ3-CG 4.08Å
479E98.9Very high98.8Very high95 Ų9524.8 Ų24.844%0.44413%0.125SC..Hα-helixtrans-66.3-38.9-179.8-70.3-56.2139.800112.6Y475 T481 K482 S483Y475-E479 WeakPolarHBondContact O-CB 2.97Å; Y475-E479 WeakPolarHBondContact O-CG 3.49Å; Y475-E479 PolarHBondContact O-N 3.31Å; E479-T481 VanDerWaalsContact C-N 3.33Å; E479-T481 PolarHBondContact O-N 2.76Å; E479-K482 PolarHBondContact O-N 2.93Å; E479-S483 WeakPolarHBondContact O-CB 3.19Å; E479-S483 PolarHBondContact O-N 2.83Å
480A98.9Very high98.9Very high7 Ų726.1 Ų26.16%0.05814%0.142CC..Hα-helixtrans-62.1-42173.200000111.6K476 F484 F637 E640 L641 I644K476-A480 WeakPolarHBondContact O-CB 3.47Å; K476-A480 PolarHBondContact O-N 3.24Å; A480-F484 WeakPolarHBondContact O-CB 3.49Å; A480-F484 PolarHBondContact O-N 3.08Å; A480-F637 HydrophobicContact CB-CD2 4.41Å; A480-F637 HydrophobicContact CB-CE2 4.12Å; A480-E640 HydrophobicContact CB-CB 4.39Å; A480-L641 HydrophobicContact CB-CD2 4.37Å; A480-I644 HydrophobicContact CB-CD1 3.78Å
481T98.9Very high98.8Very high0 Ų028.9 Ų28.90%016%0.156CC..Hα-helixtrans-64.3-45.9175.8-56.70000110.6V477 W478 E479 S483 F484 V485 T540 I543V477-T481 WeakPolarHBondContact O-CB 3.38Å; V477-T481 PolarHBondContact O-N 3.29Å; V477-T481 PolarHBondContact O-OG1 3.17Å; W478-T481 WeakPolarHBondContact O-CB 3.43Å; W478-T481 PolarHBondContact O-N 2.88Å; E479-T481 VanDerWaalsContact C-N 3.33Å; E479-T481 PolarHBondContact O-N 2.76Å; T481-S483 PolarHBondContact O-N 2.89Å; T481-F484 PolarHBondContact O-N 2.87Å; T481-V485 HydrophobicContact CG2-CG2 4.44Å; T481-V485 VanDerWaalsContact O-CG2 3.29Å; T481-V485 WeakPolarHBondContact O-CG2 3.42Å; T481-V485 PolarHBondContact O-N 3.37Å; T481-T540 HydrophobicContact CG2-CG2 4.14Å; T481-I543 HydrophobicContact CG2-CB 3.89Å; T481-I543 HydrophobicContact CG2-CG2 3.6Å
482K98.9Very high98.8Very high71 Ų7129.9 Ų29.931%0.30916%0.16SC..Hα-helixtrans-62-42.9178.2-169.7176.3177.61780112W478 E479 V485 S486 V536 T540W478-K482 WeakPolarHBondContact O-CB 3.3Å; W478-K482 PolarHBondContact O-N 2.88Å; E479-K482 PolarHBondContact O-N 2.93Å; K482-V485 PolarHBondContact O-N 3.24Å; K482-S486 VanDerWaalsContact O-CB 3.27Å; K482-S486 WeakPolarHBondContact O-CB 3.5Å; K482-S486 PolarHBondContact O-N 3.14Å; K482-V536 HydrophobicContact CG-CG1 3.87Å; K482-T540 WeakPolarHBondContact CA-OG1 3.39Å; K482-T540 HydrophobicContact CB-CG2 3.91Å; K482-T540 HydrophobicContact CG-CG2 4.5Å
483S98.9Very high98.8Very high37 Ų3728.2 Ų28.226%0.25915%0.151SC..Hα-helixtrans-63-44175.1-176.10000111.3E479 T481 S486 D487 K636E479-S483 WeakPolarHBondContact O-CB 3.19Å; E479-S483 PolarHBondContact O-N 2.83Å; T481-S483 PolarHBondContact O-N 2.89Å; S483-S486 PolarHBondContact O-N 2.94Å; S483-D487 VanDerWaalsContact O-CG 3.29Å; S483-D487 PolarHBondContact O-N 2.63Å; S483-K636 PolarHBondContact OG-NZ 2.9Å
484F98.9Very high98.8Very high3 Ų333 Ų331%0.01318%0.18CC..Hα-helixtrans-61.2-48.3177.4169.3-123.4000111.7L395 A480 T481 S486 D487 V488 Y620 M634 F637L395-F484 HydrophobicContact CD1-CD1 4.44Å; L395-F484 HydrophobicContact CD1-CE1 3.51Å; L395-F484 HydrophobicContact CD1-CZ 3.76Å; A480-F484 WeakPolarHBondContact O-CB 3.49Å; A480-F484 PolarHBondContact O-N 3.08Å; T481-F484 PolarHBondContact O-N 2.87Å; F484-S486 VanDerWaalsContact C-N 3.31Å; F484-S486 PolarHBondContact O-N 2.84Å; F484-D487 PolarHBondContact O-N 2.86Å; F484-V488 HydrophobicContact CD2-CG2 4.02Å; F484-V488 HydrophobicContact CE2-CG2 3.55Å; F484-V488 HydrophobicContact CZ-CG2 3.92Å; F484-V488 WeakPolarHBondContact O-CG2 3.26Å; F484-V488 PolarHBondContact O-N 3.36Å; F484-Y620 HydrophobicContact CE1-CE2 4.42Å; F484-Y620 HydrophobicContact CZ-CE2 4.26Å; F484-M634 HydrophobicContact CE2-CB 4.38Å; F484-M634 HydrophobicContact CE2-CG 3.77Å; F484-M634 HydrophobicContact CZ-CG 4Å; F484-F637 HydrophobicContact CB-CB 3.88Å; F484-F637 HydrophobicContact CB-CD1 4.2Å; F484-F637 HydrophobicContact CB-CD2 3.6Å; F484-F637 HydrophobicContact CB-CE2 4.13Å; F484-F637 HydrophobicContact CB-CG 3.64Å; F484-F637 AromaticContact CD1-CD1 3.73Å; F484-F637 HydrophobicContact CD1-CD1 3.73Å; F484-F637 AromaticContact CD1-CE1 3.89Å; F484-F637 HydrophobicContact CD1-CE1 3.89Å; F484-F637 HydrophobicContact CD1-CG 4.07Å; F484-F637 HydrophobicContact CD1-CZ 4.35Å; F484-F637 HydrophobicContact CD2-CB 3.72Å; F484-F637 HydrophobicContact CD2-CD1 4.2Å; F484-F637 HydrophobicContact CD2-CG 4.05Å; F484-F637 HydrophobicContact CE1-CD1 4.14Å; F484-F637 HydrophobicContact CE1-CE1 4.32Å; F484-F637 HydrophobicContact CE2-CB 4.47Å; F484-F637 HydrophobicContact CG-CB 3.82Å; F484-F637 AromaticContact CG-CD1 3.77Å; F484-F637 HydrophobicContact CG-CD1 3.77Å; F484-F637 HydrophobicContact CG-CD2 4.1Å; F484-F637 HydrophobicContact CG-CE1 4.32Å; F484-F637 AromaticContact CG-CG 3.64Å; F484-F637 HydrophobicContact CG-CG 3.64Å
485V98.9Very high98.7Very high0 Ų034.6 Ų34.60%019%0.191CC..Hα-helixtrans-60.6-43176.4174.10000110.6L395 T481 K482 D487 V488 I489 V536 L539 I543L395-V485 HydrophobicContact CD2-CG2 4.48Å; T481-V485 HydrophobicContact CG2-CG2 4.44Å; T481-V485 VanDerWaalsContact O-CG2 3.29Å; T481-V485 WeakPolarHBondContact O-CG2 3.42Å; T481-V485 PolarHBondContact O-N 3.37Å; K482-V485 PolarHBondContact O-N 3.24Å; V485-D487 PolarHBondContact O-N 3.23Å; V485-V488 PolarHBondContact O-N 2.67Å; V485-I489 HydrophobicContact CG1-CG1 4.07Å; V485-I489 WeakPolarHBondContact O-CB 3.49Å; V485-I489 VanDerWaalsContact O-CG1 3.31Å; V485-I489 WeakPolarHBondContact O-CG1 3.45Å; V485-I489 PolarHBondContact O-N 2.79Å; V485-V536 HydrophobicContact CB-CG1 4.42Å; V485-V536 HydrophobicContact CG1-CB 4.24Å; V485-V536 HydrophobicContact CG1-CG1 4.11Å; V485-V536 HydrophobicContact CG1-CG2 4.25Å; V485-L539 HydrophobicContact CG1-CB 3.7Å; V485-L539 HydrophobicContact CG1-CD1 4.26Å; V485-L539 HydrophobicContact CG2-CB 4.49Å; V485-I543 HydrophobicContact CG2-CD1 3.7Å
486S98.9Very high98.7Very high55 Ų5534.1 Ų34.139%0.38519%0.193SC..Hα-helixtrans-59.5-45.5176.4-171.10000112.2K482 S483 F484 V488 I489 G490K482-S486 VanDerWaalsContact O-CB 3.27Å; K482-S486 WeakPolarHBondContact O-CB 3.5Å; K482-S486 PolarHBondContact O-N 3.14Å; S483-S486 PolarHBondContact O-N 2.94Å; F484-S486 VanDerWaalsContact C-N 3.31Å; F484-S486 PolarHBondContact O-N 2.84Å; S486-V488 VanDerWaalsContact C-N 3.34Å; S486-V488 PolarHBondContact O-N 3.04Å; S486-I489 PolarHBondContact O-N 3.38Å; S486-G490 PolarHBondContact O-N 3.36Å
487D98.9Very high98.7Very high53 Ų5336.1 Ų36.128%0.28320%0.204SC..Hα-helixtrans-59.9-44.1176-70.5-25.7000110.9S483 F484 V485 I491 A633 K636S483-D487 VanDerWaalsContact O-CG 3.29Å; S483-D487 PolarHBondContact O-N 2.63Å; F484-D487 PolarHBondContact O-N 2.86Å; V485-D487 PolarHBondContact O-N 3.23Å; D487-I491 WeakPolarHBondContact O-CD1 3.14Å; D487-I491 VanDerWaalsContact O-CG1 3.31Å; D487-I491 WeakPolarHBondContact O-CG1 3.17Å; D487-I491 PolarHBondContact O-N 3.22Å; D487-A633 HydrophobicContact CB-CB 3.87Å; D487-K636 IonicContact OD1-NZ 2.69Å; D487-K636 PolarHBondContact OD1-NZ 2.76Å; D487-K636 WeakPolarHBondContact OD2-CD 3.36Å; D487-K636 IonicContact OD2-NZ 3.88Å; D487-K636 PolarHBondContact OD2-NZ 2.84Å
488V98.9Very high98.7Very high1 Ų138.9 Ų38.91%0.00622%0.215CC..Hα-helixtrans-66.1-49.1178.2176.40000111.8L395 F484 V485 S486 G490 I491 Y492 F625 V630 A633L395-V488 HydrophobicContact CD1-CG2 4.43Å; L395-V488 HydrophobicContact CD2-CG1 4.27Å; F484-V488 HydrophobicContact CD2-CG2 4.02Å; F484-V488 HydrophobicContact CE2-CG2 3.55Å; F484-V488 HydrophobicContact CZ-CG2 3.92Å; F484-V488 WeakPolarHBondContact O-CG2 3.26Å; F484-V488 PolarHBondContact O-N 3.36Å; V485-V488 PolarHBondContact O-N 2.67Å; S486-V488 VanDerWaalsContact C-N 3.34Å; S486-V488 PolarHBondContact O-N 3.04Å; V488-G490 VanDerWaalsContact C-N 3.28Å; V488-G490 PolarHBondContact O-N 3.11Å; V488-I491 WeakPolarHBondContact O-CB 3.44Å; V488-I491 PolarHBondContact O-N 2.93Å; V488-I491 VanDerWaalsContact O-N 3.16Å; V488-Y492 HydrophobicContact CG1-CD2 4.27Å; V488-Y492 HydrophobicContact CG1-CE2 4.22Å; V488-Y492 VanDerWaalsContact O-CD2 3.28Å; V488-Y492 WeakPolarHBondContact O-CD2 3.29Å; V488-F625 HydrophobicContact CG1-CZ 4.19Å; V488-V630 HydrophobicContact CG2-CG2 4.14Å; V488-A633 HydrophobicContact CG2-CB 4.49Å
489I98.8Very high98.7Very high3 Ų338.7 Ų38.72%0.01521%0.214CC..Hα-helixtrans-64-36.6179.3-66.7-52.5000110.9V392 V485 S486 I491 Y492 Y493 R532 L535 V536 L539V392-I489 HydrophobicContact CG2-CD1 4.17Å; V485-I489 HydrophobicContact CG1-CG1 4.07Å; V485-I489 WeakPolarHBondContact O-CB 3.49Å; V485-I489 VanDerWaalsContact O-CG1 3.31Å; V485-I489 WeakPolarHBondContact O-CG1 3.45Å; V485-I489 PolarHBondContact O-N 2.79Å; S486-I489 PolarHBondContact O-N 3.38Å; I489-I491 PolarHBondContact O-N 3.29Å; I489-Y492 PolarHBondContact O-N 2.79Å; I489-Y493 HydrophobicContact CD1-CD2 4.01Å; I489-Y493 HydrophobicContact CD1-CE2 3.91Å; I489-Y493 HydrophobicContact CG2-CD2 3.84Å; I489-Y493 HydrophobicContact CG2-CG 4.29Å; I489-Y493 WeakPolarHBondContact O-CA 3.4Å; I489-Y493 WeakPolarHBondContact O-CB 3.28Å; I489-Y493 PolarHBondContact O-N 3.47Å; I489-R532 HydrophobicContact CG2-CB 4.21Å; I489-R532 HydrophobicContact CG2-CG 4.32Å; I489-L535 HydrophobicContact CD1-CD2 3.82Å; I489-L535 HydrophobicContact CD1-CG 4.15Å; I489-L535 HydrophobicContact CG1-CD2 4.39Å; I489-L535 HydrophobicContact CG1-CG 4.41Å; I489-L535 HydrophobicContact CG2-CD2 4.19Å; I489-V536 HydrophobicContact CB-CG2 3.89Å; I489-V536 HydrophobicContact CG1-CG2 4.03Å; I489-V536 HydrophobicContact CG2-CG2 4.05Å; I489-L539 HydrophobicContact CD1-CD1 3.7Å; I489-L539 HydrophobicContact CG1-CD1 4.13Å
490G98.7Very high98.6Very high39 Ų3938.7 Ų38.740%0.40221%0.214SC..Hα-helixtrans-63.4-25.5175.400000114.5S486 V488S486-G490 PolarHBondContact O-N 3.36Å; V488-G490 VanDerWaalsContact C-N 3.28Å; V488-G490 PolarHBondContact O-N 3.11Å
491I98.8Very high98.6Very high58 Ų5840.5 Ų40.530%0.29723%0.233SC..Hα-helixtrans-71.9-43175.1-69.1159.7000111.2D487 V488 I489 P629 V630D487-I491 WeakPolarHBondContact O-CD1 3.14Å; D487-I491 VanDerWaalsContact O-CG1 3.31Å; D487-I491 WeakPolarHBondContact O-CG1 3.17Å; D487-I491 PolarHBondContact O-N 3.22Å; V488-I491 WeakPolarHBondContact O-CB 3.44Å; V488-I491 PolarHBondContact O-N 2.93Å; V488-I491 VanDerWaalsContact O-N 3.16Å; I489-I491 PolarHBondContact O-N 3.29Å; I491-P629 HydrophobicContact CD1-CB 3.81Å; I491-P629 HydrophobicContact CG1-CB 4.06Å; I491-P629 HydrophobicContact CG2-CB 4.31Å; I491-V630 HydrophobicContact CD1-CB 4.1Å
492Y98.6Very high98.6Very high21 Ų2140.5 Ų40.58%0.08223%0.233CC..Hα-helixtrans-101.3-29.4-169.7-60.9-72.3000114.1A117 L119 P391 V488 I489 F625 E627A117-Y492 HydrophobicContact CB-CD1 4.17Å; A117-Y492 HydrophobicContact CB-CE1 3.55Å; A117-Y492 HydrophobicContact CB-CE2 4.46Å; L119-Y492 WeakPolarHBondContact CD1-O 3.26Å; P391-Y492 HydrophobicContact CB-CD1 4.25Å; P391-Y492 HydrophobicContact CB-CD2 3.52Å; P391-Y492 HydrophobicContact CB-CE2 3.87Å; P391-Y492 HydrophobicContact CB-CG 3.73Å; P391-Y492 HydrophobicContact CG-CD1 4.46Å; P391-Y492 HydrophobicContact CG-CD2 4.25Å; P391-Y492 HydrophobicContact CG-CG 3.99Å; V488-Y492 HydrophobicContact CG1-CD2 4.27Å; V488-Y492 HydrophobicContact CG1-CE2 4.22Å; V488-Y492 VanDerWaalsContact O-CD2 3.28Å; V488-Y492 WeakPolarHBondContact O-CD2 3.29Å; I489-Y492 PolarHBondContact O-N 2.79Å; Y492-F625 HydrophobicContact CE2-CD1 4.5Å; Y492-F625 AromaticContact CE2-CE1 3.69Å; Y492-F625 HydrophobicContact CE2-CE1 3.69Å; Y492-F625 HydrophobicContact CE2-CZ 4.24Å; Y492-F625 AromaticContact CZ-CE1 3.78Å; Y492-F625 WeakPolarHBondContact OH-CD1 3.33Å; Y492-F625 WeakPolarHBondContact OH-CE1 3.24Å; Y492-E627 WeakPolarHBondContact CE1-OE2 3.41Å; Y492-E627 PolarHBondContact OH-OE2 3.2Å
493Y98.6Very high98.6Very high0 Ų043.7 Ų43.70%025%0.249CC..  trans-106.7100.1177.2-62.9-93000110L119 H390 I489 S495 R498 V499 D502 I505 R532 L535L119-Y493 HydrophobicContact CD1-CD1 3.9Å; L119-Y493 HydrophobicContact CD1-CE1 3.71Å; L119-Y493 HydrophobicContact CD1-CG 4.41Å; L119-Y493 HydrophobicContact CD2-CE1 3.91Å; L119-Y493 HydrophobicContact CD2-CE2 4Å; L119-Y493 VanDerWaalsContact CD2-CZ 3.47Å; L119-Y493 VanDerWaalsContact CD2-OH 3.27Å; L119-Y493 WeakPolarHBondContact CD2-OH 3.46Å; L119-Y493 HydrophobicContact CG-CE1 4.49Å; H390-Y493 PolarHBondContact CE1-OH 3.19Å; H390-Y493 PolarHBondContact NE2-OH 2.7Å; I489-Y493 HydrophobicContact CD1-CD2 4.01Å; I489-Y493 HydrophobicContact CD1-CE2 3.91Å; I489-Y493 HydrophobicContact CG2-CD2 3.84Å; I489-Y493 HydrophobicContact CG2-CG 4.29Å; I489-Y493 WeakPolarHBondContact O-CA 3.4Å; I489-Y493 WeakPolarHBondContact O-CB 3.28Å; I489-Y493 PolarHBondContact O-N 3.47Å; Y493-S495 VanDerWaalsContact C-N 3.28Å; Y493-S495 PolarHBondContact O-N 3.07Å; Y493-R498 HydrophobicContact CD1-CB 4.05Å; Y493-V499 HydrophobicContact CD1-CB 4.34Å; Y493-V499 HydrophobicContact CD1-CG2 3.54Å; Y493-V499 HydrophobicContact CE1-CG2 4.14Å; Y493-V499 HydrophobicContact CG-CG2 3.99Å; Y493-D502 HydrophobicContact CE1-CB 4.23Å; Y493-D502 WeakPolarHBondContact CE1-OD2 3.47Å; Y493-D502 PolarHBondContact OH-OD2 2.93Å; Y493-I505 WeakPolarHBondContact OH-CG1 3.32Å; Y493-R532 WeakPolarHBondContact O-CD 3.3Å; Y493-R532 PolarHBondContact O-NH1 3.42Å; Y493-L535 HydrophobicContact CD2-CD2 4.12Å; Y493-L535 HydrophobicContact CE1-CD2 4.35Å; Y493-L535 HydrophobicContact CE2-CD2 3.78Å
494T97.1Very high98.6Very high99 Ų9942.3 Ų42.361%0.60724%0.238SC*.  trans-74.4-18.5-179.455.50000113.5R498T494-R498 VanDerWaalsContact OG1-CD 3.23Å; T494-R498 WeakPolarHBondContact OG1-CD 3.49Å
495S98.2Very high98.6Very high34 Ų3442.1 Ų42.124%0.23824%0.238CC..SBendtrans-157.9168.6179.177.50000111.9Y493 E497 R498Y493-S495 VanDerWaalsContact C-N 3.28Å; Y493-S495 PolarHBondContact O-N 3.07Å; S495-E497 VanDerWaalsContact C-N 3.29Å; S495-E497 WeakPolarHBondContact CB-OE2 3.41Å; S495-E497 PolarHBondContact O-N 2.92Å; S495-E497 PolarHBondContact OG-N 3.2Å; S495-E497 PolarHBondContact OG-OE2 3.16Å; S495-R498 WeakPolarHBondContact O-CB 3.47Å; S495-R498 PolarHBondContact O-N 3.4Å
496D98.7Very high98.5Very high54 Ų5443.7 Ų43.729%0.28925%0.245SC..Hα-helixtrans-66.1-31.9177.2-71-13000111.9R498 V499 Q500 T531 R532D496-R498 PolarHBondContact O-N 2.88Å; D496-V499 WeakPolarHBondContact O-CB 3.36Å; D496-V499 PolarHBondContact O-N 3.19Å; D496-Q500 WeakPolarHBondContact O-CG 3.4Å; D496-Q500 PolarHBondContact O-N 3.24Å; D496-T531 WeakPolarHBondContact OD1-CA 3.4Å; D496-R532 WeakPolarHBondContact OD1-CG 3.44Å; D496-R532 PolarHBondContact OD1-N 3.18Å; D496-R532 IonicContact OD1-NE 3.74Å
497E98.4Very high98.5Very high124 Ų12442.3 Ų42.358%0.57924%0.237SC*.Hα-helixtrans-61.9-31.8175.2-60.373.9-159.900111.8S495 V499 Q500 G501S495-E497 VanDerWaalsContact C-N 3.29Å; S495-E497 WeakPolarHBondContact CB-OE2 3.41Å; S495-E497 PolarHBondContact O-N 2.92Å; S495-E497 PolarHBondContact OG-N 3.2Å; S495-E497 PolarHBondContact OG-OE2 3.16Å; E497-V499 VanDerWaalsContact C-N 3.34Å; E497-Q500 PolarHBondContact O-N 3.37Å; E497-G501 PolarHBondContact O-N 2.89Å
498R98.1Very high98.5Very high59 Ų5939.8 Ų39.822%0.22322%0.224CC..Hα-helixtrans-67.3-35.8174.1-66.7-150.568.7159.44112.2D122 Y493 T494 S495 D496 D502D122-R498 VanDerWaalsContact CG-NH2 3.28Å; D122-R498 IonicContact OD1-CZ 3Å; D122-R498 IonicContact OD1-NH1 3.31Å; D122-R498 PolarHBondContact OD1-NH1 3.43Å; D122-R498 IonicContact OD1-NH2 3.86Å; D122-R498 PolarHBondContact OD1-NH2 3.35Å; D122-R498 IonicContact OD2-NH2 3.11Å; D122-R498 PolarHBondContact OD2-NH2 2.87Å; Y493-R498 HydrophobicContact CD1-CB 4.05Å; T494-R498 VanDerWaalsContact OG1-CD 3.23Å; T494-R498 WeakPolarHBondContact OG1-CD 3.49Å; S495-R498 WeakPolarHBondContact O-CB 3.47Å; S495-R498 PolarHBondContact O-N 3.4Å; D496-R498 PolarHBondContact O-N 2.88Å; R498-D502 WeakPolarHBondContact O-CB 3.36Å; R498-D502 PolarHBondContact O-N 3.02Å
499V98.7Very high98.5Very high0 Ų039.8 Ų39.80%022%0.223CC..Hα-helixtrans-66.9-45.1174179.20000109.9Y493 D496 E497 G501 D502 Q506 L529 R532 L535Y493-V499 HydrophobicContact CD1-CB 4.34Å; Y493-V499 HydrophobicContact CD1-CG2 3.54Å; Y493-V499 HydrophobicContact CE1-CG2 4.14Å; Y493-V499 HydrophobicContact CG-CG2 3.99Å; D496-V499 WeakPolarHBondContact O-CB 3.36Å; D496-V499 PolarHBondContact O-N 3.19Å; E497-V499 VanDerWaalsContact C-N 3.34Å; V499-G501 VanDerWaalsContact C-N 3.32Å; V499-G501 PolarHBondContact O-N 3.17Å; V499-D502 WeakPolarHBondContact O-CB 3.32Å; V499-D502 PolarHBondContact O-N 3.31Å; V499-Q506 PolarHBondContact O-NE2 2.89Å; V499-L529 HydrophobicContact CG1-CB 4.23Å; V499-R532 HydrophobicContact CG2-CG 3.73Å; V499-L535 HydrophobicContact CG1-CB 4.43Å; V499-L535 HydrophobicContact CG1-CD2 4.39Å; V499-L535 HydrophobicContact CG2-CD2 4.2Å
500Q98.4Very high98.4Very high95 Ų9545.6 Ų45.644%0.44425%0.249SC..Hα-helixtrans-63.5-37.9178.7-66.4170.431.800112.5D496 E497 D502 K530D496-Q500 WeakPolarHBondContact O-CG 3.4Å; D496-Q500 PolarHBondContact O-N 3.24Å; E497-Q500 PolarHBondContact O-N 3.37Å; Q500-D502 VanDerWaalsContact C-N 3.26Å; Q500-D502 PolarHBondContact O-N 3.47Å; Q500-K530 HydrophobicContact CG-CB 4.4Å; Q500-K530 HydrophobicContact CG-CD 4.11Å; Q500-K530 WeakPolarHBondContact CG-O 3.41Å; Q500-K530 PolarHBondContact NE2-O 3.47Å
501G98.1Very high98.4Very high45 Ų4543.9 Ų43.946%0.46423%0.23SC..THydrogen-bonded Turntrans-800.6177.300000114.7Q121 E497 V499 E503Q121-G501 PolarHBondContact NE2-O 2.76Å; E497-G501 PolarHBondContact O-N 2.89Å; V499-G501 VanDerWaalsContact C-N 3.32Å; V499-G501 PolarHBondContact O-N 3.17Å; G501-E503 PolarHBondContact O-N 3.07Å
502D98.8Very high98.4Very high0 Ų041.1 Ų41.10%022%0.216CC..  trans-90.588.5178.4-168.9-21.5000111.5H390 Y493 R498 V499 Q500 E504 I505 Q506H390-D502 IonicContact CE1-OD2 3.36Å; H390-D502 IonicContact NE2-OD1 3.7Å; H390-D502 IonicContact NE2-OD2 3.93Å; H390-D502 PolarHBondContact NE2-OD2 3.23Å; H390-D502 VanDerWaalsContact NE2-OD2 3.1Å; Y493-D502 HydrophobicContact CE1-CB 4.23Å; Y493-D502 WeakPolarHBondContact CE1-OD2 3.47Å; Y493-D502 PolarHBondContact OH-OD2 2.93Å; R498-D502 WeakPolarHBondContact O-CB 3.36Å; R498-D502 PolarHBondContact O-N 3.02Å; V499-D502 WeakPolarHBondContact O-CB 3.32Å; V499-D502 PolarHBondContact O-N 3.31Å; Q500-D502 VanDerWaalsContact C-N 3.26Å; Q500-D502 PolarHBondContact O-N 3.47Å; D502-E504 PolarHBondContact O-N 3.1Å; D502-E504 PolarHBondContact OD1-N 2.93Å; D502-E504 VanDerWaalsContact OD1-N 3.13Å; D502-I505 HydrophobicContact CB-CB 4.13Å; D502-I505 HydrophobicContact CB-CG1 4.37Å; D502-I505 PolarHBondContact O-N 3.14Å; D502-I505 PolarHBondContact OD1-N 3.03Å; D502-I505 VanDerWaalsContact OD1-N 3.09Å; D502-I505 VanDerWaalsContact OD2-CG1 3.27Å; D502-I505 WeakPolarHBondContact OD2-CG1 3.4Å; D502-Q506 VanDerWaalsContact O-CG 3.31Å; D502-Q506 WeakPolarHBondContact O-CG 3.43Å; D502-Q506 PolarHBondContact O-N 2.83Å
503E98.4Very high98.2Very high138 Ų13840.5 Ų40.565%0.64522%0.215SC*.Hα-helixtrans-59.5-27.4-179.566.2-177.6173.100113.8P120 G501 A507P120-E503 HydrophobicContact CG-CG 4.49Å; G501-E503 PolarHBondContact O-N 3.07Å; E503-A507 VanDerWaalsContact O-CB 3.24Å; E503-A507 WeakPolarHBondContact O-CB 3.5Å; E503-A507 PolarHBondContact O-N 3.38Å
504E98.8Very high97.9Very high7 Ų741.7 Ų41.73%0.03322%0.223CC..Hα-helixtrans-75.8-40.7-179.9-65.9177.6172.100110.9P120 R132 L136 L386 P387 H390 D502 A507 F508P120-E504 HydrophobicContact CB-CG 4.49Å; P120-E504 HydrophobicContact CG-CG 4.21Å; R132-E504 WeakPolarHBondContact CD-OE1 3.34Å; R132-E504 WeakPolarHBondContact CG-OE1 3.33Å; R132-E504 IonicContact CZ-OE1 2.65Å; R132-E504 IonicContact CZ-OE2 3.6Å; R132-E504 IonicContact NE-OE1 3.94Å; R132-E504 IonicContact NH1-OE1 3.05Å; R132-E504 PolarHBondContact NH1-OE1 3.49Å; R132-E504 IonicContact NH1-OE2 2.77Å; R132-E504 PolarHBondContact NH1-OE2 2.91Å; L136-E504 HydrophobicContact CD1-CG 4.2Å; L386-E504 HydrophobicContact CD2-CB 4.07Å; P387-E504 VanDerWaalsContact CD-CD 3.47Å; P387-E504 WeakPolarHBondContact CD-OE2 3.32Å; P387-E504 WeakPolarHBondContact CG-OE2 3.44Å; H390-E504 IonicContact CD2-OE2 3.78Å; H390-E504 PolarHBondContact CD2-OE2 3.37Å; H390-E504 IonicContact CG-OE2 3.94Å; D502-E504 PolarHBondContact O-N 3.1Å; D502-E504 PolarHBondContact OD1-N 2.93Å; D502-E504 VanDerWaalsContact OD1-N 3.13Å; E504-A507 PolarHBondContact O-N 3.5Å; E504-F508 WeakPolarHBondContact O-CB 3.39Å; E504-F508 PolarHBondContact O-N 3Å
505I98.8Very high97.7Very high0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-66.9-41.2172.6-71.6-66.2000111.8L386 V392 Y493 D502 A507 F508 V509 L529 L535L386-I505 HydrophobicContact CD1-CD1 4.43Å; L386-I505 HydrophobicContact CD2-CD1 3.88Å; L386-I505 HydrophobicContact CD2-CG1 4.48Å; V392-I505 HydrophobicContact CB-CD1 3.82Å; V392-I505 HydrophobicContact CG1-CD1 3.95Å; V392-I505 HydrophobicContact CG2-CD1 3.66Å; Y493-I505 WeakPolarHBondContact OH-CG1 3.32Å; D502-I505 HydrophobicContact CB-CB 4.13Å; D502-I505 HydrophobicContact CB-CG1 4.37Å; D502-I505 PolarHBondContact O-N 3.14Å; D502-I505 PolarHBondContact OD1-N 3.03Å; D502-I505 VanDerWaalsContact OD1-N 3.09Å; D502-I505 VanDerWaalsContact OD2-CG1 3.27Å; D502-I505 WeakPolarHBondContact OD2-CG1 3.4Å; I505-A507 VanDerWaalsContact C-N 3.28Å; I505-A507 PolarHBondContact O-N 2.97Å; I505-F508 HydrophobicContact CD1-CD1 4.49Å; I505-F508 PolarHBondContact O-N 2.86Å; I505-V509 HydrophobicContact CG2-CG2 4.48Å; I505-V509 WeakPolarHBondContact O-CG2 3.36Å; I505-V509 PolarHBondContact O-N 2.75Å; I505-L529 HydrophobicContact CG2-CD1 4.25Å; I505-L535 HydrophobicContact CD1-CD1 4.42Å; I505-L535 HydrophobicContact CG2-CD1 4.01Å
506Q98.8Very high97.5Very high32 Ų3240 Ų4015%0.1520%0.203CC..Hα-helixtrans-62.5-39.9174.6-57.7-44.3-46.500111.1V499 D502 K510 L529V499-Q506 PolarHBondContact O-NE2 2.89Å; D502-Q506 VanDerWaalsContact O-CG 3.31Å; D502-Q506 WeakPolarHBondContact O-CG 3.43Å; D502-Q506 PolarHBondContact O-N 2.83Å; Q506-K510 WeakPolarHBondContact O-CB 3.39Å; Q506-K510 PolarHBondContact O-N 3.32Å; Q506-L529 PolarHBondContact NE2-O 3.46Å; Q506-L529 PolarHBondContact OE1-O 3.21Å
507A98.8Very high97.3Very high27 Ų2737.4 Ų37.422%0.22319%0.189CC..Hα-helixtrans-65.6-43.1175.300000112.2Q385 E503 E504 I505 K510 D511Q385-A507 HydrophobicContact CB-CB 4.22Å; Q385-A507 HydrophobicContact CG-CB 4.21Å; E503-A507 VanDerWaalsContact O-CB 3.24Å; E503-A507 WeakPolarHBondContact O-CB 3.5Å; E503-A507 PolarHBondContact O-N 3.38Å; E504-A507 PolarHBondContact O-N 3.5Å; I505-A507 VanDerWaalsContact C-N 3.28Å; I505-A507 PolarHBondContact O-N 2.97Å; A507-K510 PolarHBondContact O-N 3.34Å; A507-D511 WeakPolarHBondContact O-CB 3.31Å; A507-D511 PolarHBondContact O-N 3.11Å
508F98.8Very high96.9Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-56.5-52.6176.6164.9-116.9000111.9A381 M382 Q385 L386 L396 E504 I505 K510 D511 V512 Y538 L539A381-F508 HydrophobicContact CB-CD2 3.63Å; A381-F508 HydrophobicContact CB-CE2 3.73Å; M382-F508 HydrophobicContact CB-CE2 4.12Å; Q385-F508 HydrophobicContact CB-CB 3.98Å; L386-F508 HydrophobicContact CD1-CD1 4.45Å; L386-F508 HydrophobicContact CD1-CD2 4.37Å; L386-F508 HydrophobicContact CD1-CG 4.19Å; L386-F508 HydrophobicContact CD2-CB 4.04Å; L386-F508 HydrophobicContact CG-CB 4.21Å; L386-F508 HydrophobicContact CG-CG 4.37Å; L396-F508 HydrophobicContact CD1-CZ 4.1Å; E504-F508 WeakPolarHBondContact O-CB 3.39Å; E504-F508 PolarHBondContact O-N 3Å; I505-F508 HydrophobicContact CD1-CD1 4.49Å; I505-F508 PolarHBondContact O-N 2.86Å; F508-K510 VanDerWaalsContact C-N 3.34Å; F508-K510 PolarHBondContact O-N 2.93Å; F508-D511 PolarHBondContact O-N 3.41Å; F508-V512 HydrophobicContact CE2-CG2 4.17Å; F508-V512 PolarHBondContact O-N 2.84Å; F508-V512 VanDerWaalsContact O-N 3.14Å; F508-Y538 HydrophobicContact CD1-CE1 4.48Å; F508-Y538 HydrophobicContact CE1-CD1 4.1Å; F508-Y538 AromaticContact CE1-CE1 3.59Å; F508-Y538 HydrophobicContact CE1-CE1 3.59Å; F508-Y538 AromaticContact CZ-CE1 3.99Å; F508-Y538 HydrophobicContact CZ-CE1 3.99Å; F508-L539 HydrophobicContact CE1-CD2 4.45Å
509V98.3Very high96.2Very high0 Ų034.2 Ų34.20%018%0.179CC..Hα-helixtrans-64.2-41.7-179.1170.90000111I505 V512 C513 P526 L529 Y538I505-V509 HydrophobicContact CG2-CG2 4.48Å; I505-V509 WeakPolarHBondContact O-CG2 3.36Å; I505-V509 PolarHBondContact O-N 2.75Å; V509-V512 PolarHBondContact O-N 2.81Å; V509-C513 PolarHBondContact O-N 3.44Å; V509-C513 VanDerWaalsContact O-N 3.12Å; V509-P526 HydrophobicContact CG1-CB 4.28Å; V509-P526 HydrophobicContact CG1-CG 4.15Å; V509-P526 WeakPolarHBondContact CG1-O 3.22Å; V509-L529 HydrophobicContact CG1-CG 4.28Å; V509-L529 HydrophobicContact CG2-CD1 3.5Å; V509-L529 VanDerWaalsContact CG2-CD1 3.5Å; V509-L529 HydrophobicContact CG2-CG 3.82Å; V509-Y538 HydrophobicContact CG1-CE2 4.33Å; V509-Y538 HydrophobicContact CG2-CE1 4.31Å; V509-Y538 HydrophobicContact CG2-CE2 4.47Å
510K97.4Very high95.3Very high125 Ų12537.8 Ų37.854%0.54319%0.194SC..Hα-helixtrans-64.2-39174.6-174.2177179.4-179.70112.3Q506 A507 F508 V512 C513 S514Q506-K510 WeakPolarHBondContact O-CB 3.39Å; Q506-K510 PolarHBondContact O-N 3.32Å; A507-K510 PolarHBondContact O-N 3.34Å; F508-K510 VanDerWaalsContact C-N 3.34Å; F508-K510 PolarHBondContact O-N 2.93Å; K510-V512 VanDerWaalsContact C-N 3.33Å; K510-V512 PolarHBondContact O-N 2.67Å; K510-C513 PolarHBondContact O-N 2.76Å; K510-S514 VanDerWaalsContact O-CB 3.26Å; K510-S514 WeakPolarHBondContact O-CB 3.28Å; K510-S514 PolarHBondContact O-N 2.85Å; K510-S514 PolarHBondContact O-OG 2.91Å
511D97.9Very high94.2Very high4 Ų440.9 Ų40.92%0.02121%0.214CC..Hα-helixtrans-64.8-38.9-180-150.416.8000110.9W145 A381 R384 Q385 A507 F508 F515 G516W145-D511 PolarHBondContact NE1-OD1 3.41Å; A381-D511 HydrophobicContact CB-CB 4.08Å; R384-D511 WeakPolarHBondContact CB-OD2 3.32Å; R384-D511 WeakPolarHBondContact CD-OD2 3.45Å; R384-D511 IonicContact CZ-OD2 2.67Å; R384-D511 IonicContact NE-OD1 3.64Å; R384-D511 IonicContact NE-OD2 3.58Å; R384-D511 PolarHBondContact NE-OD2 3.27Å; R384-D511 IonicContact NH2-OD1 3.59Å; R384-D511 IonicContact NH2-OD2 3.53Å; Q385-D511 HydrophobicContact CG-CB 3.94Å; Q385-D511 WeakPolarHBondContact CG-OD2 3.46Å; Q385-D511 PolarHBondContact NE2-OD2 2.92Å; A507-D511 WeakPolarHBondContact O-CB 3.31Å; A507-D511 PolarHBondContact O-N 3.11Å; F508-D511 PolarHBondContact O-N 3.41Å; D511-F515 WeakPolarHBondContact O-CB 3.43Å; D511-F515 PolarHBondContact O-N 3.37Å; D511-F515 WeakPolarHBondContact OD1-CD2 3.42Å; D511-G516 PolarHBondContact O-N 3.25Å; D511-G516 VanDerWaalsContact O-N 3.14Å
512V98Very high93.2Very high0 Ų042.1 Ų42.10%021%0.208CC..Iπ-helixtrans-61.6-49.2172.2171.40000111.6V377 F378 A381 F508 V509 K510 G516 M517 F525 Y538V377-V512 HydrophobicContact CG1-CB 4.28Å; V377-V512 HydrophobicContact CG1-CG1 3.75Å; V377-V512 HydrophobicContact CG1-CG2 4.27Å; F378-V512 HydrophobicContact CD1-CG1 4.16Å; F378-V512 HydrophobicContact CD1-CG2 3.94Å; F378-V512 HydrophobicContact CE1-CG1 3.93Å; F378-V512 HydrophobicContact CE1-CG2 4.47Å; A381-V512 HydrophobicContact CB-CG2 3.45Å; A381-V512 VanDerWaalsContact CB-CG2 3.45Å; F508-V512 HydrophobicContact CE2-CG2 4.17Å; F508-V512 PolarHBondContact O-N 2.84Å; F508-V512 VanDerWaalsContact O-N 3.14Å; V509-V512 PolarHBondContact O-N 2.81Å; K510-V512 VanDerWaalsContact C-N 3.33Å; K510-V512 PolarHBondContact O-N 2.67Å; V512-G516 CarbonylContact O-C 3.5Å; V512-G516 VanDerWaalsContact O-CA 3.3Å; V512-G516 WeakPolarHBondContact O-CA 3.49Å; V512-G516 PolarHBondContact O-N 3.39Å; V512-M517 PolarHBondContact O-N 3.48Å; V512-F525 HydrophobicContact CG1-CD1 3.79Å; V512-F525 HydrophobicContact CG1-CE1 3.97Å; V512-Y538 WeakPolarHBondContact CB-OH 3.24Å; V512-Y538 VanDerWaalsContact CG1-OH 3.29Å; V512-Y538 WeakPolarHBondContact CG1-OH 3.34Å; V512-Y538 WeakPolarHBondContact CG2-OH 3.47Å
513C94.4Very high92.2Very high7 Ų742.2 Ų42.25%0.04721%0.209CC..Iπ-helixtrans-69.5-52.1-177.2-176.70000112.2V509 K510 M517 Q518 D519 F525V509-C513 PolarHBondContact O-N 3.44Å; V509-C513 VanDerWaalsContact O-N 3.12Å; K510-C513 PolarHBondContact O-N 2.76Å; C513-M517 CarbonylContact O-C 3.54Å; C513-Q518 PolarHBondContact O-N 3Å; C513-D519 PolarHBondContact O-N 3.32Å; C513-F525 HydrophobicContact CB-CB 4.11Å
514S92.8Very high91.7Very high25 Ų2541.6 Ų41.618%0.17521%0.205CC..Iπ-helixtrans-78.7-33.3-171-68.40000114.3K510 Q518 D519K510-S514 VanDerWaalsContact O-CB 3.26Å; K510-S514 WeakPolarHBondContact O-CB 3.28Å; K510-S514 PolarHBondContact O-N 2.85Å; K510-S514 PolarHBondContact O-OG 2.91Å; S514-Q518 WeakPolarHBondContact O-CA 3.44Å; S514-D519 VanDerWaalsContact CA-OD2 3.23Å; S514-D519 WeakPolarHBondContact CA-OD2 3.44Å; S514-D519 WeakPolarHBondContact CB-OD2 3.42Å; S514-D519 PolarHBondContact OG-OD2 3.17Å
515F93.3Very high91.4Very high97 Ų9741.8 Ų41.843%0.42521%0.206SC..Iπ-helixtrans-105.3-61.8179.3-64.4-88000109.9W145 L154 D511 M517 Q518W145-F515 VanDerWaalsContact CD1-CB 3.48Å; W145-F515 AromaticContact CD1-CD1 3.92Å; W145-F515 AromaticContact CD1-CG 3.68Å; W145-F515 HydrophobicContact CD2-CB 4.02Å; W145-F515 HydrophobicContact CG-CB 3.88Å; W145-F515 HydrophobicContact CG-CG 4.42Å; W145-F515 HydrophobicContact CZ2-CB 4.37Å; W145-F515 AromaticContact NE1-CG 3.79Å; L154-F515 HydrophobicContact CD1-CB 3.92Å; L154-F515 HydrophobicContact CD1-CD1 4.44Å; L154-F515 WeakPolarHBondContact CD1-O 3.44Å; L154-F515 VanDerWaalsContact CG-O 3.24Å; L154-F515 WeakPolarHBondContact CG-O 3.15Å; D511-F515 WeakPolarHBondContact O-CB 3.43Å; D511-F515 PolarHBondContact O-N 3.37Å; D511-F515 WeakPolarHBondContact OD1-CD2 3.42Å; F515-M517 VanDerWaalsContact C-N 3.32Å; F515-M517 PolarHBondContact O-N 3.39Å; F515-Q518 WeakPolarHBondContact O-CG 3.11Å; F515-Q518 PolarHBondContact O-N 3Å; F515-Q518 VanDerWaalsContact O-N 3.14Å
516G93.5Very high91.2Very high0 Ų043.3 Ų43.30%022%0.216CC..Iπ-helixtrans-49.9-52.5-178.600000112.9P153 L154 D511 V512P153-G516 CarbonylContact C-O 3.45Å; P153-G516 WeakPolarHBondContact CA-O 3.32Å; P153-G516 WeakPolarHBondContact CB-O 3.22Å; L154-G516 PolarHBondContact N-O 2.71Å; D511-G516 PolarHBondContact O-N 3.25Å; D511-G516 VanDerWaalsContact O-N 3.14Å; V512-G516 CarbonylContact O-C 3.5Å; V512-G516 VanDerWaalsContact O-CA 3.3Å; V512-G516 WeakPolarHBondContact O-CA 3.49Å; V512-G516 PolarHBondContact O-N 3.39Å
517M93.8Very high90.9Very high1 Ų147.7 Ų47.71%0.00524%0.235CC..THydrogen-bonded Turntrans-1017.3-179.8-60.2-52.3-58.700114.3P153 M374 T440 L443 V512 C513 F515 D519 F520 F525P153-M517 HydrophobicContact CB-SD 4.36Å; P153-M517 HydrophobicContact CG-SD 4.39Å; M374-M517 HydrophobicContact CE-CG 4.47Å; M374-M517 HydrophobicContact CE-SD 3.75Å; M374-M517 HydrophobicContact SD-CE 4.49Å; M374-M517 HydrophobicContact SD-SD 3.62Å; M374-M517 VanDerWaalsContact SD-SD 3.62Å; T440-M517 HydrophobicContact CG2-CE 4.44Å; L443-M517 HydrophobicContact CD2-CE 3.87Å; L443-M517 HydrophobicContact CG-CE 4.31Å; V512-M517 PolarHBondContact O-N 3.48Å; C513-M517 CarbonylContact O-C 3.54Å; F515-M517 VanDerWaalsContact C-N 3.32Å; F515-M517 PolarHBondContact O-N 3.39Å; M517-D519 PolarHBondContact O-N 3.3Å; M517-D519 VanDerWaalsContact O-N 3.14Å; M517-F520 WeakPolarHBondContact O-CD2 3.48Å; M517-F520 PolarHBondContact O-N 2.8Å; M517-F525 HydrophobicContact CB-CD2 4.5Å; M517-F525 HydrophobicContact CE-CE2 4.14Å; M517-F525 HydrophobicContact CG-CD1 4.29Å; M517-F525 HydrophobicContact CG-CD2 3.92Å; M517-F525 HydrophobicContact CG-CE1 4.18Å; M517-F525 HydrophobicContact CG-CE2 3.82Å; M517-F525 HydrophobicContact CG-CG 4.17Å; M517-F525 HydrophobicContact CG-CZ 3.95Å; M517-F525 HydrophobicContact SD-CE2 4.29Å; M517-F525 HydrophobicContact SD-CZ 4.29Å
518Q90.3Very high90.8Very high54 Ų5448.5 Ų48.525%0.25224%0.239SC..THydrogen-bonded Turntrans54.630172.3-54.9-176.771.100115.7F152 L154 C513 S514 F515 F520F152-Q518 PolarHBondContact O-NE2 3.45Å; L154-Q518 HydrophobicContact CD1-CG 4.42Å; L154-Q518 HydrophobicContact CG-CG 4.15Å; C513-Q518 PolarHBondContact O-N 3Å; S514-Q518 WeakPolarHBondContact O-CA 3.44Å; F515-Q518 WeakPolarHBondContact O-CG 3.11Å; F515-Q518 PolarHBondContact O-N 3Å; F515-Q518 VanDerWaalsContact O-N 3.14Å; Q518-F520 HydrophobicContact CB-CD2 4.23Å; Q518-F520 HydrophobicContact CB-CE1 4.33Å; Q518-F520 HydrophobicContact CB-CE2 3.8Å; Q518-F520 HydrophobicContact CB-CZ 3.84Å; Q518-F520 HydrophobicContact CG-CE2 4.39Å; Q518-F520 HydrophobicContact CG-CZ 4.5Å; Q518-F520 PolarHBondContact O-N 3.41Å; Q518-F520 VanDerWaalsContact O-N 3.07Å
519D84.4Confident90.8Very high61 Ų6148.7 Ų48.733%0.32624%0.24SC..THydrogen-bonded Turntrans54.426.4178.5-95.2-52.7000114C513 S514 M517 D521 K527C513-D519 PolarHBondContact O-N 3.32Å; S514-D519 VanDerWaalsContact CA-OD2 3.23Å; S514-D519 WeakPolarHBondContact CA-OD2 3.44Å; S514-D519 WeakPolarHBondContact CB-OD2 3.42Å; S514-D519 PolarHBondContact OG-OD2 3.17Å; M517-D519 PolarHBondContact O-N 3.3Å; M517-D519 VanDerWaalsContact O-N 3.14Å; D519-D521 PolarHBondContact O-N 2.83Å; D519-K527 VanDerWaalsContact OD1-CE 3.25Å; D519-K527 WeakPolarHBondContact OD1-CE 3.36Å; D519-K527 IonicContact OD1-NZ 3.96Å; D519-K527 PolarHBondContact OD1-NZ 2.83Å
520F79.7Confident90.8Very high75 Ų7553.3 Ų53.333%0.32926%0.26SS..  trans-65.7128.1177-58.8-57.4000111M517 Q518 H522 C523M517-F520 WeakPolarHBondContact O-CD2 3.48Å; M517-F520 PolarHBondContact O-N 2.8Å; Q518-F520 HydrophobicContact CB-CD2 4.23Å; Q518-F520 HydrophobicContact CB-CE1 4.33Å; Q518-F520 HydrophobicContact CB-CE2 3.8Å; Q518-F520 HydrophobicContact CB-CZ 3.84Å; Q518-F520 HydrophobicContact CG-CE2 4.39Å; Q518-F520 HydrophobicContact CG-CZ 4.5Å; Q518-F520 PolarHBondContact O-N 3.41Å; Q518-F520 VanDerWaalsContact O-N 3.07Å; F520-H522 WeakPolarHBondContact CB-CE1 3.49Å; F520-H522 AromaticContact CG-CE1 3.7Å; F520-H522 PolarHBondContact O-N 2.87Å; F520-C523 PolarHBondContact O-N 2.71Å; F520-C523 VanDerWaalsContact O-N 3.09Å
521D74.8Confident90.8Very high161 Ų16149.1 Ų49.186%0.86125%0.245SC*.G310 helixtrans-57.8-27.4-173.1-69.4-35.6000113.7D519D519-D521 PolarHBondContact O-N 2.83Å
522H78.4Confident90.9Very high70 Ų7053 Ų5332%0.32426%0.259SS..G310 helixtrans-80.7-13.1-178.164.7-93.4000114.5T440 K441 T444 F520 E524T440-H522 PolarHBondContact O-NE2 2.77Å; T440-H522 VanDerWaalsContact O-NE2 3.09Å; K441-H522 VanDerWaalsContact C-CD2 3.41Å; K441-H522 VanDerWaalsContact C-NE2 3.35Å; K441-H522 VanDerWaalsContact CA-NE2 3.29Å; K441-H522 WeakPolarHBondContact CA-NE2 3.22Å; K441-H522 PolarHBondContact O-CD2 2.86Å; K441-H522 PolarHBondContact O-NE2 3.43Å; T444-H522 WeakPolarHBondContact CG2-O 3.38Å; F520-H522 WeakPolarHBondContact CB-CE1 3.49Å; F520-H522 AromaticContact CG-CE1 3.7Å; F520-H522 PolarHBondContact O-N 2.87Å; H522-E524 VanDerWaalsContact C-N 3.34Å; H522-E524 PolarHBondContact O-N 2.68Å
523C75.8Confident90.9Very high3 Ų358.9 Ų58.92%0.0229%0.291CS..G310 helixtrans-77.9-14.3-168.3-67.90000114L443 T444 F445 F520 F525L443-C523 WeakPolarHBondContact O-CA 3.38Å; T444-C523 CarbonylContact C-O 3.48Å; T444-C523 WeakPolarHBondContact CA-O 3.26Å; F445-C523 PolarHBondContact N-O 3.41Å; F520-C523 PolarHBondContact O-N 2.71Å; F520-C523 VanDerWaalsContact O-N 3.09Å; C523-F525 HydrophobicContact CB-CD2 3.77Å; C523-F525 HydrophobicContact CB-CE2 4.31Å; C523-F525 WeakPolarHBondContact O-CD2 3.46Å; C523-F525 PolarHBondContact O-N 2.78Å
524E88.4Confident91.1Very high124 Ų12462.2 Ų62.258%0.57931%0.305SS*.  trans51.817.1-179.5-55.6-177.6158.700115.4T444 H522T444-E524 HydrophobicContact CG2-CG 4.33Å; H522-E524 VanDerWaalsContact C-N 3.34Å; H522-E524 PolarHBondContact O-N 2.68Å
525F93.5Very high91.4Very high11 Ų1161 Ų615%0.04830%0.297CS..  trans-68.6133.9175.9-82.5-106.4000109.3M374 F378 F445 L448 V512 C513 M517 C523 K527M374-F525 HydrophobicContact CE-CE1 3.83Å; M374-F525 HydrophobicContact CE-CZ 3.51Å; F378-F525 HydrophobicContact CE1-CE1 4.32Å; F378-F525 HydrophobicContact CZ-CE1 4.26Å; F445-F525 HydrophobicContact CB-CD1 4.2Å; F445-F525 HydrophobicContact CB-CD2 3.92Å; F445-F525 HydrophobicContact CB-CE1 4.37Å; F445-F525 HydrophobicContact CB-CE2 4.1Å; F445-F525 HydrophobicContact CB-CG 3.97Å; F445-F525 HydrophobicContact CB-CZ 4.32Å; F445-F525 AromaticContact CD2-CD1 3.86Å; F445-F525 HydrophobicContact CD2-CD1 3.86Å; F445-F525 AromaticContact CD2-CE1 3.85Å; F445-F525 HydrophobicContact CD2-CE1 3.85Å; F445-F525 HydrophobicContact CD2-CG 4.46Å; F445-F525 HydrophobicContact CD2-CZ 4.42Å; F445-F525 HydrophobicContact CG-CD1 4.46Å; L448-F525 HydrophobicContact CD1-CE1 4.48Å; L448-F525 HydrophobicContact CD1-CZ 3.89Å; V512-F525 HydrophobicContact CG1-CD1 3.79Å; V512-F525 HydrophobicContact CG1-CE1 3.97Å; C513-F525 HydrophobicContact CB-CB 4.11Å; M517-F525 HydrophobicContact CB-CD2 4.5Å; M517-F525 HydrophobicContact CE-CE2 4.14Å; M517-F525 HydrophobicContact CG-CD1 4.29Å; M517-F525 HydrophobicContact CG-CD2 3.92Å; M517-F525 HydrophobicContact CG-CE1 4.18Å; M517-F525 HydrophobicContact CG-CE2 3.82Å; M517-F525 HydrophobicContact CG-CG 4.17Å; M517-F525 HydrophobicContact CG-CZ 3.95Å; M517-F525 HydrophobicContact SD-CE2 4.29Å; M517-F525 HydrophobicContact SD-CZ 4.29Å; C523-F525 HydrophobicContact CB-CD2 3.77Å; C523-F525 HydrophobicContact CB-CE2 4.31Å; C523-F525 WeakPolarHBondContact O-CD2 3.46Å; C523-F525 PolarHBondContact O-N 2.78Å; F525-K527 PolarHBondContact O-N 3.19Å
526P94.1Very high91.6Very high32 Ų3256.6 Ų56.621%0.20828%0.278CS..  trans-62.6138.9177.325.2-32000109.7V509 L529 Y538V509-P526 HydrophobicContact CG1-CB 4.28Å; V509-P526 HydrophobicContact CG1-CG 4.15Å; V509-P526 WeakPolarHBondContact CG1-O 3.22Å; P526-L529 HydrophobicContact CB-CD2 3.93Å; P526-L529 HydrophobicContact CG-CD2 3.91Å; P526-Y538 HydrophobicContact CG-CD2 3.58Å; P526-Y538 HydrophobicContact CG-CE2 3.52Å
527K92.4Very high91.9Very high124 Ų12458.6 Ų58.654%0.53929%0.287SS..SBendtrans-89.2-16.5173.7-65.3-172.9178.2-164.70112.7D519 F525D519-K527 VanDerWaalsContact OD1-CE 3.25Å; D519-K527 WeakPolarHBondContact OD1-CE 3.36Å; D519-K527 IonicContact OD1-NZ 3.96Å; D519-K527 PolarHBondContact OD1-NZ 2.83Å; F525-K527 PolarHBondContact O-N 3.19Å
528S96.6Very high92.1Very high44 Ų4458.6 Ų58.631%0.30829%0.287SS..  trans-159.7155.3177.764.70000108.9K530S528-K530 VanDerWaalsContact OG-CE 3.3Å; S528-K530 WeakPolarHBondContact OG-CE 3.46Å; S528-K530 PolarHBondContact OG-NZ 2.9Å
529L98.1Very high92.6Very high4 Ų456 Ų562%0.02128%0.275CS..  trans-114.8134.9173.7-56.1172.6000109.2V499 I505 Q506 V509 P526 E534 L535 Y538V499-L529 HydrophobicContact CG1-CB 4.23Å; I505-L529 HydrophobicContact CG2-CD1 4.25Å; Q506-L529 PolarHBondContact NE2-O 3.46Å; Q506-L529 PolarHBondContact OE1-O 3.21Å; V509-L529 HydrophobicContact CG1-CG 4.28Å; V509-L529 HydrophobicContact CG2-CD1 3.5Å; V509-L529 VanDerWaalsContact CG2-CD1 3.5Å; V509-L529 HydrophobicContact CG2-CG 3.82Å; P526-L529 HydrophobicContact CB-CD2 3.93Å; P526-L529 HydrophobicContact CG-CD2 3.91Å; L529-E534 HydrophobicContact CB-CB 4.46Å; L529-E534 HydrophobicContact CD2-CB 4.04Å; L529-L535 HydrophobicContact CD1-CB 4.21Å; L529-L535 HydrophobicContact CD1-CD1 3.7Å; L529-Y538 HydrophobicContact CD1-CG 4.26Å; L529-Y538 HydrophobicContact CD2-CD2 4.29Å
530K98.3Very high93.3Very high98 Ų9853.1 Ų53.143%0.42626%0.26SS..  trans-110.8-24.3-173.9-58.4-55.3-179.5-165.50113.4Q500 S528 E534Q500-K530 HydrophobicContact CG-CB 4.4Å; Q500-K530 HydrophobicContact CG-CD 4.11Å; Q500-K530 WeakPolarHBondContact CG-O 3.41Å; Q500-K530 PolarHBondContact NE2-O 3.47Å; S528-K530 VanDerWaalsContact OG-CE 3.3Å; S528-K530 WeakPolarHBondContact OG-CE 3.46Å; S528-K530 PolarHBondContact OG-NZ 2.9Å; K530-E534 PolarHBondContact N-OE2 2.81Å
531T98.8Very high94.2Very high37 Ų3749.5 Ų49.523%0.22724%0.244CC..SBendtrans-126.5160.9-176.571.10000111.6D496 D533 E534 L535D496-T531 WeakPolarHBondContact OD1-CA 3.4Å; T531-D533 VanDerWaalsContact C-N 3.26Å; T531-D533 PolarHBondContact O-N 2.79Å; T531-E534 PolarHBondContact N-OE2 2.94Å; T531-E534 PolarHBondContact O-N 3.43Å; T531-E534 WeakPolarHBondContact OG1-CB 3.36Å; T531-E534 VanDerWaalsContact OG1-CG 3.28Å; T531-E534 WeakPolarHBondContact OG1-CG 3.34Å; T531-E534 PolarHBondContact OG1-N 2.79Å; T531-E534 VanDerWaalsContact OG1-N 3.1Å; T531-L535 PolarHBondContact O-N 3.3Å
532R98.7Very high95.3Very high85 Ų8541.9 Ų41.932%0.32120%0.203SC..Hα-helixtrans-63.1-36.1171.9-67.2-176.2-57.6164.85.2111.5I489 Y493 D496 V499 L535 V536I489-R532 HydrophobicContact CG2-CB 4.21Å; I489-R532 HydrophobicContact CG2-CG 4.32Å; Y493-R532 WeakPolarHBondContact O-CD 3.3Å; Y493-R532 PolarHBondContact O-NH1 3.42Å; D496-R532 WeakPolarHBondContact OD1-CG 3.44Å; D496-R532 PolarHBondContact OD1-N 3.18Å; D496-R532 IonicContact OD1-NE 3.74Å; V499-R532 HydrophobicContact CG2-CG 3.73Å; R532-L535 PolarHBondContact O-N 2.9Å; R532-V536 WeakPolarHBondContact O-CB 3.47Å; R532-V536 VanDerWaalsContact O-CG2 3.23Å; R532-V536 WeakPolarHBondContact O-CG2 3.18Å; R532-V536 PolarHBondContact O-N 3.25Å
533D98.6Very high96.3Very high124 Ų12438.5 Ų38.566%0.66319%0.188SC*.Hα-helixtrans-65.3-40.9179.3-70.1-13.3000111.7T531 V536 E537T531-D533 VanDerWaalsContact C-N 3.26Å; T531-D533 PolarHBondContact O-N 2.79Å; D533-V536 PolarHBondContact O-N 2.99Å; D533-E537 WeakPolarHBondContact O-CB 3.21Å; D533-E537 PolarHBondContact O-N 3.23Å
534E98.7Very high97.4Very high76 Ų7638.5 Ų38.536%0.35519%0.187SC..Hα-helixtrans-62.1-42.1173.2-73.8172.6-176.300111.6L529 K530 T531 Y538L529-E534 HydrophobicContact CB-CB 4.46Å; L529-E534 HydrophobicContact CD2-CB 4.04Å; K530-E534 PolarHBondContact N-OE2 2.81Å; T531-E534 PolarHBondContact N-OE2 2.94Å; T531-E534 PolarHBondContact O-N 3.43Å; T531-E534 WeakPolarHBondContact OG1-CB 3.36Å; T531-E534 VanDerWaalsContact OG1-CG 3.28Å; T531-E534 WeakPolarHBondContact OG1-CG 3.34Å; T531-E534 PolarHBondContact OG1-N 2.79Å; T531-E534 VanDerWaalsContact OG1-N 3.1Å; E534-Y538 WeakPolarHBondContact O-CB 3.01Å; E534-Y538 PolarHBondContact O-N 2.89Å
535L98.9Very high97.9Very high0 Ų032.7 Ų32.70%016%0.16CC..Hα-helixtrans-65.5-41.8175.2-179.260.3000112.4I489 Y493 V499 I505 L529 T531 R532 Y538 L539I489-L535 HydrophobicContact CD1-CD2 3.82Å; I489-L535 HydrophobicContact CD1-CG 4.15Å; I489-L535 HydrophobicContact CG1-CD2 4.39Å; I489-L535 HydrophobicContact CG1-CG 4.41Å; I489-L535 HydrophobicContact CG2-CD2 4.19Å; Y493-L535 HydrophobicContact CD2-CD2 4.12Å; Y493-L535 HydrophobicContact CE1-CD2 4.35Å; Y493-L535 HydrophobicContact CE2-CD2 3.78Å; V499-L535 HydrophobicContact CG1-CB 4.43Å; V499-L535 HydrophobicContact CG1-CD2 4.39Å; V499-L535 HydrophobicContact CG2-CD2 4.2Å; I505-L535 HydrophobicContact CD1-CD1 4.42Å; I505-L535 HydrophobicContact CG2-CD1 4.01Å; L529-L535 HydrophobicContact CD1-CB 4.21Å; L529-L535 HydrophobicContact CD1-CD1 3.7Å; T531-L535 PolarHBondContact O-N 3.3Å; R532-L535 PolarHBondContact O-N 2.9Å; L535-Y538 PolarHBondContact O-N 3.39Å; L535-L539 HydrophobicContact CD1-CD1 3.73Å; L535-L539 HydrophobicContact CD1-CD2 4.45Å; L535-L539 HydrophobicContact CD1-CG 3.91Å; L535-L539 HydrophobicContact CG-CD1 3.9Å; L535-L539 HydrophobicContact CG-CG 4.42Å; L535-L539 WeakPolarHBondContact O-CB 3.37Å; L535-L539 VanDerWaalsContact O-CG 3.25Å; L535-L539 WeakPolarHBondContact O-CG 3.43Å; L535-L539 PolarHBondContact O-N 2.86Å
536V98.9Very high98.2Very high5 Ų532.2 Ų32.23%0.0316%0.158CC..Hα-helixtrans-61.8-47.5177166.80000110.5K482 V485 I489 R532 D533 L539 T540K482-V536 HydrophobicContact CG-CG1 3.87Å; V485-V536 HydrophobicContact CB-CG1 4.42Å; V485-V536 HydrophobicContact CG1-CB 4.24Å; V485-V536 HydrophobicContact CG1-CG1 4.11Å; V485-V536 HydrophobicContact CG1-CG2 4.25Å; I489-V536 HydrophobicContact CB-CG2 3.89Å; I489-V536 HydrophobicContact CG1-CG2 4.03Å; I489-V536 HydrophobicContact CG2-CG2 4.05Å; R532-V536 WeakPolarHBondContact O-CB 3.47Å; R532-V536 VanDerWaalsContact O-CG2 3.23Å; R532-V536 WeakPolarHBondContact O-CG2 3.18Å; R532-V536 PolarHBondContact O-N 3.25Å; D533-V536 PolarHBondContact O-N 2.99Å; V536-L539 PolarHBondContact O-N 3.14Å; V536-T540 WeakPolarHBondContact O-CB 3.4Å; V536-T540 PolarHBondContact O-N 3.43Å; V536-T540 PolarHBondContact O-OG1 3.21Å
537E98.8Very high98.4Very high41 Ų4130.7 Ų30.719%0.19215%0.149CC..Hα-helixtrans-61.9-45.6177.2-174.1178.7-122.400111.5R446 D533 L539 T540 V541R446-E537 IonicContact CZ-OE1 3.38Å; R446-E537 IonicContact CZ-OE2 3.56Å; R446-E537 VanDerWaalsContact CZ-OE2 3.27Å; R446-E537 IonicContact NH1-OE1 3.6Å; R446-E537 PolarHBondContact NH1-OE1 2.84Å; R446-E537 IonicContact NH1-OE2 3.46Å; R446-E537 PolarHBondContact NH1-OE2 2.89Å; R446-E537 IonicContact NH2-OE1 3.63Å; R446-E537 IonicContact NH2-OE2 2.73Å; R446-E537 PolarHBondContact NH2-OE2 3.02Å; D533-E537 WeakPolarHBondContact O-CB 3.21Å; D533-E537 PolarHBondContact O-N 3.23Å; E537-L539 PolarHBondContact O-N 3.44Å; E537-T540 WeakPolarHBondContact O-CB 3.4Å; E537-T540 PolarHBondContact O-N 3.29Å; E537-V541 PolarHBondContact O-N 3.37Å
538Y98.9Very high98.7Very high1 Ų124.8 Ų24.80%0.00412%0.123CC..Hα-helixtrans-57.2-49.3178.5-163.6-83.1000112.4F378 F445 F508 V509 V512 P526 L529 E534 L535 T540 V541 V542F378-Y538 HydrophobicContact CD1-CE1 4.41Å; F378-Y538 HydrophobicContact CE1-CE1 4.17Å; F445-Y538 HydrophobicContact CD2-CD2 4.39Å; F445-Y538 HydrophobicContact CD2-CE2 4.21Å; F445-Y538 AromaticContact CE2-CD2 3.51Å; F445-Y538 HydrophobicContact CE2-CD2 3.51Å; F445-Y538 AromaticContact CE2-CE2 3.68Å; F445-Y538 HydrophobicContact CE2-CE2 3.68Å; F445-Y538 HydrophobicContact CE2-CG 4.25Å; F445-Y538 AromaticContact CZ-CD2 3.66Å; F445-Y538 HydrophobicContact CZ-CD2 3.66Å; F445-Y538 HydrophobicContact CZ-CE2 4.28Å; F445-Y538 HydrophobicContact CZ-CG 4.27Å; F508-Y538 HydrophobicContact CD1-CE1 4.48Å; F508-Y538 HydrophobicContact CE1-CD1 4.1Å; F508-Y538 AromaticContact CE1-CE1 3.59Å; F508-Y538 HydrophobicContact CE1-CE1 3.59Å; F508-Y538 AromaticContact CZ-CE1 3.99Å; F508-Y538 HydrophobicContact CZ-CE1 3.99Å; V509-Y538 HydrophobicContact CG1-CE2 4.33Å; V509-Y538 HydrophobicContact CG2-CE1 4.31Å; V509-Y538 HydrophobicContact CG2-CE2 4.47Å; V512-Y538 WeakPolarHBondContact CB-OH 3.24Å; V512-Y538 VanDerWaalsContact CG1-OH 3.29Å; V512-Y538 WeakPolarHBondContact CG1-OH 3.34Å; V512-Y538 WeakPolarHBondContact CG2-OH 3.47Å; P526-Y538 HydrophobicContact CG-CD2 3.58Å; P526-Y538 HydrophobicContact CG-CE2 3.52Å; L529-Y538 HydrophobicContact CD1-CG 4.26Å; L529-Y538 HydrophobicContact CD2-CD2 4.29Å; E534-Y538 WeakPolarHBondContact O-CB 3.01Å; E534-Y538 PolarHBondContact O-N 2.89Å; L535-Y538 PolarHBondContact O-N 3.39Å; Y538-T540 VanDerWaalsContact C-N 3.32Å; Y538-T540 PolarHBondContact O-N 3.38Å; Y538-V541 WeakPolarHBondContact O-CB 3.4Å; Y538-V541 PolarHBondContact O-N 3.28Å; Y538-V542 HydrophobicContact CD1-CG2 4.24Å; Y538-V542 HydrophobicContact CE1-CG2 4.16Å; Y538-V542 WeakPolarHBondContact O-CG2 3.44Å; Y538-V542 PolarHBondContact O-N 2.89Å
539L98.9Very high98.8Very high0 Ų023.5 Ų23.50%011%0.112CC..Hα-helixtrans-71.3-29.2179.9-61.9175.2000112.4V392 L395 L396 V485 I489 F508 L535 V536 E537 V542 I543V392-L539 HydrophobicContact CG1-CD1 4.06Å; V392-L539 HydrophobicContact CG1-CD2 3.5Å; V392-L539 VanDerWaalsContact CG1-CD2 3.5Å; V392-L539 HydrophobicContact CG1-CG 4.44Å; V392-L539 HydrophobicContact CG2-CD1 3.86Å; L395-L539 HydrophobicContact CD2-CD1 4.15Å; L396-L539 HydrophobicContact CD1-CD2 3.83Å; L396-L539 HydrophobicContact CD2-CD2 4.12Å; L396-L539 HydrophobicContact CG-CD2 4.21Å; V485-L539 HydrophobicContact CG1-CB 3.7Å; V485-L539 HydrophobicContact CG1-CD1 4.26Å; V485-L539 HydrophobicContact CG2-CB 4.49Å; I489-L539 HydrophobicContact CD1-CD1 3.7Å; I489-L539 HydrophobicContact CG1-CD1 4.13Å; F508-L539 HydrophobicContact CE1-CD2 4.45Å; L535-L539 HydrophobicContact CD1-CD1 3.73Å; L535-L539 HydrophobicContact CD1-CD2 4.45Å; L535-L539 HydrophobicContact CD1-CG 3.91Å; L535-L539 HydrophobicContact CG-CD1 3.9Å; L535-L539 HydrophobicContact CG-CG 4.42Å; L535-L539 WeakPolarHBondContact O-CB 3.37Å; L535-L539 VanDerWaalsContact O-CG 3.25Å; L535-L539 WeakPolarHBondContact O-CG 3.43Å; L535-L539 PolarHBondContact O-N 2.86Å; V536-L539 PolarHBondContact O-N 3.14Å; E537-L539 PolarHBondContact O-N 3.44Å; L539-V542 PolarHBondContact O-N 2.92Å; L539-I543 WeakPolarHBondContact O-CG1 3.37Å; L539-I543 PolarHBondContact O-N 3.39Å
540T98.9Very high98.8Very high0 Ų023.3 Ų23.30%011%0.111CC..Hα-helixtrans-62.5-44.5171.2-56.50000110.7W478 T481 K482 V536 E537 Y538 V542 I543 F544W478-T540 HydrophobicContact CD2-CG2 3.84Å; W478-T540 HydrophobicContact CE3-CG2 3.94Å; W478-T540 HydrophobicContact CH2-CG2 3.87Å; W478-T540 HydrophobicContact CZ2-CG2 3.78Å; W478-T540 HydrophobicContact CZ3-CG2 3.96Å; T481-T540 HydrophobicContact CG2-CG2 4.14Å; K482-T540 WeakPolarHBondContact CA-OG1 3.39Å; K482-T540 HydrophobicContact CB-CG2 3.91Å; K482-T540 HydrophobicContact CG-CG2 4.5Å; V536-T540 WeakPolarHBondContact O-CB 3.4Å; V536-T540 PolarHBondContact O-N 3.43Å; V536-T540 PolarHBondContact O-OG1 3.21Å; E537-T540 WeakPolarHBondContact O-CB 3.4Å; E537-T540 PolarHBondContact O-N 3.29Å; Y538-T540 VanDerWaalsContact C-N 3.32Å; Y538-T540 PolarHBondContact O-N 3.38Å; T540-V542 PolarHBondContact O-N 3.14Å; T540-I543 PolarHBondContact O-N 2.92Å; T540-F544 WeakPolarHBondContact O-CB 3.07Å; T540-F544 PolarHBondContact O-N 3.29Å
541V98.9Very high98.9Very high0 Ų018.6 Ų18.60%09%0.091CC..Hα-helixtrans-56.9-48.5174.8170.40000110.9F378 F445 L448 C449 W478 E537 Y538 T545F378-V541 HydrophobicContact CZ-CG1 4.31Å; F445-V541 HydrophobicContact CE1-CG2 4.35Å; F445-V541 HydrophobicContact CE2-CB 4.1Å; F445-V541 HydrophobicContact CE2-CG1 4.01Å; F445-V541 HydrophobicContact CE2-CG2 4.03Å; F445-V541 HydrophobicContact CZ-CB 4.15Å; F445-V541 HydrophobicContact CZ-CG1 4.48Å; F445-V541 HydrophobicContact CZ-CG2 3.67Å; L448-V541 HydrophobicContact CB-CG1 3.63Å; L448-V541 HydrophobicContact CD1-CG1 4.35Å; C449-V541 HydrophobicContact CB-CG2 4.49Å; C449-V541 VanDerWaalsContact SG-CG2 3.51Å; W478-V541 HydrophobicContact CH2-CG2 3.68Å; W478-V541 HydrophobicContact CZ3-CG2 4.31Å; E537-V541 PolarHBondContact O-N 3.37Å; Y538-V541 WeakPolarHBondContact O-CB 3.4Å; Y538-V541 PolarHBondContact O-N 3.28Å; V541-T545 WeakPolarHBondContact O-CB 3.21Å; V541-T545 PolarHBondContact O-N 3.39Å; V541-T545 PolarHBondContact O-OG1 3.04Å
542V98.9Very high98.9Very high0 Ų016.9 Ų16.90%08%0.08CC..Hα-helixtrans-59.1-52.8-179.1179.70000110.9F378 L396 I400 Y538 L539 T540 A546F378-V542 HydrophobicContact CB-CG1 3.81Å; F378-V542 HydrophobicContact CB-CG2 4.22Å; F378-V542 HydrophobicContact CD1-CG2 3.62Å; F378-V542 HydrophobicContact CD2-CB 4.27Å; F378-V542 HydrophobicContact CD2-CG1 4.04Å; F378-V542 HydrophobicContact CD2-CG2 3.9Å; F378-V542 HydrophobicContact CE1-CG2 3.84Å; F378-V542 HydrophobicContact CE2-CG2 4.12Å; F378-V542 HydrophobicContact CG-CB 4.34Å; F378-V542 HydrophobicContact CG-CG1 3.97Å; F378-V542 HydrophobicContact CG-CG2 3.66Å; F378-V542 HydrophobicContact CZ-CG2 4.1Å; L396-V542 HydrophobicContact CD1-CG1 4.35Å; L396-V542 HydrophobicContact CD2-CB 4.18Å; L396-V542 HydrophobicContact CD2-CG1 3.84Å; I400-V542 HydrophobicContact CD1-CG1 4.47Å; Y538-V542 HydrophobicContact CD1-CG2 4.24Å; Y538-V542 HydrophobicContact CE1-CG2 4.16Å; Y538-V542 WeakPolarHBondContact O-CG2 3.44Å; Y538-V542 PolarHBondContact O-N 2.89Å; L539-V542 PolarHBondContact O-N 2.92Å; T540-V542 PolarHBondContact O-N 3.14Å; V542-A546 WeakPolarHBondContact O-CB 3.43Å; V542-A546 PolarHBondContact O-N 3.09Å; V542-A546 VanDerWaalsContact O-N 3.08Å
543I98.9Very high98.9Very high0 Ų012.8 Ų12.80%06%0.064CC..Hα-helixtrans-66.2-45.9-176.3-65.4173.9000110.8L395 L396 T481 V485 L539 T540 T545 A546 S547L395-I543 HydrophobicContact CD1-CD1 4.13Å; L395-I543 HydrophobicContact CD2-CD1 4.38Å; L395-I543 HydrophobicContact CG-CD1 4.09Å; L396-I543 HydrophobicContact CD2-CD1 4.2Å; L396-I543 HydrophobicContact CD2-CG1 3.79Å; T481-I543 HydrophobicContact CG2-CB 3.89Å; T481-I543 HydrophobicContact CG2-CG2 3.6Å; V485-I543 HydrophobicContact CG2-CD1 3.7Å; L539-I543 WeakPolarHBondContact O-CG1 3.37Å; L539-I543 PolarHBondContact O-N 3.39Å; T540-I543 PolarHBondContact O-N 2.92Å; I543-T545 PolarHBondContact O-N 3.21Å; I543-A546 PolarHBondContact O-N 3.07Å; I543-S547 WeakPolarHBondContact O-CB 3.44Å; I543-S547 PolarHBondContact O-N 3.01Å; I543-S547 VanDerWaalsContact O-N 3.07Å; I543-S547 PolarHBondContact O-OG 2.68Å
544F98.9Very high98.9Very high2 Ų26.9 Ų6.91%0.0093%0.033CC..Hα-helixtrans-65.7-40.1-178.5-172.4-88.1000112F450 V477 W478 T540 S547 S548 Q549 M662F450-F544 HydrophobicContact CB-CD1 4.28Å; F450-F544 HydrophobicContact CB-CE1 3.8Å; F450-F544 HydrophobicContact CB-CZ 4.08Å; F450-F544 HydrophobicContact CD1-CZ 4.46Å; F450-F544 AromaticContact CD2-CE1 3.51Å; F450-F544 HydrophobicContact CD2-CE1 3.51Å; F450-F544 AromaticContact CD2-CZ 3.6Å; F450-F544 HydrophobicContact CD2-CZ 3.6Å; F450-F544 HydrophobicContact CE2-CE1 4.29Å; F450-F544 HydrophobicContact CE2-CZ 4.08Å; F450-F544 AromaticContact CG-CE1 3.85Å; F450-F544 HydrophobicContact CG-CE1 3.85Å; F450-F544 AromaticContact CG-CZ 3.8Å; F450-F544 HydrophobicContact CG-CZ 3.8Å; V477-F544 HydrophobicContact CB-CE2 4.29Å; V477-F544 HydrophobicContact CG1-CE2 4.4Å; W478-F544 HydrophobicContact CB-CD2 4.06Å; W478-F544 HydrophobicContact CB-CE2 3.85Å; W478-F544 HydrophobicContact CE3-CB 3.83Å; W478-F544 AromaticContact CE3-CD1 3.89Å; W478-F544 HydrophobicContact CE3-CD1 3.89Å; W478-F544 AromaticContact CE3-CD2 3.85Å; W478-F544 HydrophobicContact CE3-CD2 3.85Å; W478-F544 HydrophobicContact CE3-CE1 4.41Å; W478-F544 HydrophobicContact CE3-CE2 4.36Å; W478-F544 AromaticContact CE3-CG 3.58Å; W478-F544 HydrophobicContact CE3-CG 3.58Å; W478-F544 HydrophobicContact CZ3-CB 3.97Å; W478-F544 HydrophobicContact CZ3-CD1 4.22Å; W478-F544 HydrophobicContact CZ3-CG 4.08Å; T540-F544 WeakPolarHBondContact O-CB 3.07Å; T540-F544 PolarHBondContact O-N 3.29Å; F544-S547 PolarHBondContact O-N 3.36Å; F544-S548 PolarHBondContact O-N 2.93Å; F544-Q549 HydrophobicContact CD1-CB 4.16Å; F544-Q549 HydrophobicContact CE1-CB 4.1Å; F544-Q549 PolarHBondContact O-N 2.8Å; F544-M662 HydrophobicContact CE1-CE 4.48Å; F544-M662 HydrophobicContact CZ-CE 3.92Å
545T98.9Very high98.9Very high3 Ų33.9 Ų3.92%0.0182%0.018CC..Iπ-helixtrans-63.3-46177.1-58.50000111.1R370 V541 I543 S547 H550R370-T545 WeakPolarHBondContact O-CG2 3.42Å; V541-T545 WeakPolarHBondContact O-CB 3.21Å; V541-T545 PolarHBondContact O-N 3.39Å; V541-T545 PolarHBondContact O-OG1 3.04Å; I543-T545 PolarHBondContact O-N 3.21Å; T545-S547 VanDerWaalsContact C-N 3.29Å; T545-S547 PolarHBondContact O-N 3.34Å; T545-H550 PolarHBondContact O-N 3.47Å
546A98.9Very high98.8Very high0 Ų03.9 Ų3.90%02%0.018CC..Iπ-helixtrans-70.6-23-17800000114.3T375 H399 V542 I543 S670 V671T375-A546 HydrophobicContact CG2-CB 3.54Å; T375-A546 WeakPolarHBondContact OG1-CA 3.11Å; H399-A546 HydrophobicContact CB-CB 4.38Å; H399-A546 VanDerWaalsContact O-CB 3.28Å; H399-A546 WeakPolarHBondContact O-CB 3.23Å; V542-A546 WeakPolarHBondContact O-CB 3.43Å; V542-A546 PolarHBondContact O-N 3.09Å; V542-A546 VanDerWaalsContact O-N 3.08Å; I543-A546 PolarHBondContact O-N 3.07Å; A546-S670 CarbonylContact O-C 3.33Å; A546-S670 WeakPolarHBondContact O-CA 3.19Å; A546-V671 WeakPolarHBondContact O-CG2 3.33Å; A546-V671 PolarHBondContact O-N 2.66Å
547S98.9Very high98.8Very high1 Ų13.6 Ų3.61%0.0072%0.017CC..Iπ-helixtrans-111.5-83.7-176.360.70000111.6I543 F544 T545 H550 A551 P668I543-S547 WeakPolarHBondContact O-CB 3.44Å; I543-S547 PolarHBondContact O-N 3.01Å; I543-S547 VanDerWaalsContact O-N 3.07Å; I543-S547 PolarHBondContact O-OG 2.68Å; F544-S547 PolarHBondContact O-N 3.36Å; T545-S547 VanDerWaalsContact C-N 3.29Å; T545-S547 PolarHBondContact O-N 3.34Å; S547-H550 PolarHBondContact O-N 3.09Å; S547-A551 WeakPolarHBondContact O-CB 3.49Å; S547-A551 PolarHBondContact O-N 2.84Å; S547-P668 WeakPolarHBondContact CA-O 3.35Å; S547-P668 WeakPolarHBondContact CB-O 3.35Å
548S98.7Very high98.8Very high0 Ų02.1 Ų2.10%01%0.01CC..Iπ-helixtrans-67.8-43.7-165.6-56.10000112.5V477 F544 A551 A552V477-S548 WeakPolarHBondContact CG1-OG 3.25Å; F544-S548 PolarHBondContact O-N 2.93Å; S548-A551 PolarHBondContact O-N 3.49Å; S548-A552 WeakPolarHBondContact O-CB 3.31Å; S548-A552 PolarHBondContact O-N 2.96Å
549Q98.9Very high98.8Very high16 Ų163.3 Ų3.38%0.0752%0.016CC..Iπ-helixtrans-64-48.3177.6-178.858.124.600111T371 Y470 F544 A552 V553T371-Q549 HydrophobicContact CG2-CB 4.4Å; T371-Q549 HydrophobicContact CG2-CG 3.76Å; Y470-Q549 PolarHBondContact OH-NE2 3.45Å; Y470-Q549 PolarHBondContact OH-OE1 3.29Å; F544-Q549 HydrophobicContact CD1-CB 4.16Å; F544-Q549 HydrophobicContact CE1-CB 4.1Å; F544-Q549 PolarHBondContact O-N 2.8Å; Q549-A552 PolarHBondContact O-N 3.36Å; Q549-V553 WeakPolarHBondContact O-CG2 3.34Å; Q549-V553 PolarHBondContact O-N 2.85Å
550H98.9Very high98.7Very high0 Ų03.7 Ų3.70%02%0.018CC..Hα-helixtrans-56.8-50.4175.5174.7-112000111.5H367 T371 H372 T545 S547 A552 V553 N554 V671 V673H367-H550 AromaticContact NE2-CD2 3.95Å; H367-H550 AromaticContact NE2-NE2 3.72Å; T371-H550 HydrophobicContact CG2-CB 4.26Å; H372-H550 AromaticContact NE2-NE2 3.68Å; T545-H550 PolarHBondContact O-N 3.47Å; S547-H550 PolarHBondContact O-N 3.09Å; H550-A552 VanDerWaalsContact C-N 3.3Å; H550-A552 PolarHBondContact O-N 2.96Å; H550-V553 PolarHBondContact O-N 2.9Å; H550-V553 VanDerWaalsContact O-N 3.16Å; H550-N554 WeakPolarHBondContact O-CB 3.49Å; H550-N554 PolarHBondContact O-N 3.02Å; H550-V671 HydrophobicContact CB-CG2 3.98Å; H550-V673 PolarHBondContact CE1-OXT 2.92Å; H550-V673 PolarHBondContact NE2-OXT 2.67Å
551A98.8Very high98.7Very high0 Ų03.8 Ų3.80%02%0.018CC..Hα-helixtrans-58-42.6179.900000112.8S547 S548 V553 N554 F555 I667S547-A551 WeakPolarHBondContact O-CB 3.49Å; S547-A551 PolarHBondContact O-N 2.84Å; S548-A551 PolarHBondContact O-N 3.49Å; A551-V553 VanDerWaalsContact C-N 3.26Å; A551-V553 PolarHBondContact O-N 3.04Å; A551-N554 PolarHBondContact O-N 3.09Å; A551-F555 HydrophobicContact CB-CD2 3.89Å; A551-F555 HydrophobicContact CB-CE2 3.98Å; A551-F555 PolarHBondContact O-N 2.69Å; A551-I667 HydrophobicContact CB-CB 4.23Å; A551-I667 HydrophobicContact CB-CG1 3.92Å; A551-I667 HydrophobicContact CB-CG2 4.13Å
552A98.8Very high98.7Very high0 Ų03.8 Ų3.80%02%0.018CC..Hα-helixtrans-61.8-32.9-179.700000113.9Y470 S548 Q549 H550 M662Y470-A552 HydrophobicContact CD2-CB 3.94Å; Y470-A552 HydrophobicContact CE2-CB 3.78Å; S548-A552 WeakPolarHBondContact O-CB 3.31Å; S548-A552 PolarHBondContact O-N 2.96Å; Q549-A552 PolarHBondContact O-N 3.36Å; H550-A552 VanDerWaalsContact C-N 3.3Å; H550-A552 PolarHBondContact O-N 2.96Å; A552-M662 HydrophobicContact CB-CE 3.54Å; A552-M662 HydrophobicContact CB-CG 3.96Å; A552-M662 HydrophobicContact CB-SD 3.93Å
553V98.8Very high98.7Very high0 Ų04 Ų40%02%0.019CC..Hα-helixtrans-104.8-9.3-174.9-52.40000113.3C241 H362 T366 T371 Q549 H550 A551C241-V553 PolarHBondContact SG-O 2.9Å; C241-V553 VanDerWaalsContact SG-O 3.34Å; H362-V553 PolarHBondContact CE1-O 3.44Å; H362-V553 PolarHBondContact NE2-O 2.67Å; T366-V553 HydrophobicContact CG2-CB 4.04Å; T366-V553 HydrophobicContact CG2-CG1 3.66Å; T366-V553 HydrophobicContact CG2-CG2 4.33Å; T371-V553 HydrophobicContact CG2-CG2 4.28Å; Q549-V553 WeakPolarHBondContact O-CG2 3.34Å; Q549-V553 PolarHBondContact O-N 2.85Å; H550-V553 PolarHBondContact O-N 2.9Å; H550-V553 VanDerWaalsContact O-N 3.16Å; A551-V553 VanDerWaalsContact C-N 3.26Å; A551-V553 PolarHBondContact O-N 3.04Å
554N98.8Very high98.6Very high0 Ų04.2 Ų4.20%02%0.02CC..Hα-helixtrans-100.6-55.7-179.7-179.265.1000113H367 H550 A551 G556 Q557 L607 V673H367-N554 PolarHBondContact CE1-OD1 3.48Å; H367-N554 PolarHBondContact NE2-OD1 3.12Å; H550-N554 WeakPolarHBondContact O-CB 3.49Å; H550-N554 PolarHBondContact O-N 3.02Å; A551-N554 PolarHBondContact O-N 3.09Å; N554-G556 PolarHBondContact O-N 2.79Å; N554-G556 VanDerWaalsContact O-N 3.12Å; N554-Q557 WeakPolarHBondContact O-CB 3.34Å; N554-Q557 WeakPolarHBondContact O-CG 3.49Å; N554-Q557 PolarHBondContact O-N 3.2Å; N554-Q557 VanDerWaalsContact O-N 3.08Å; N554-Q557 PolarHBondContact O-NE2 2.88Å; N554-Q557 PolarHBondContact OD1-NE2 3.34Å; N554-L607 PolarHBondContact ND2-O 2.86Å; N554-L607 PolarHBondContact OD1-O 3.33Å; N554-V673 PolarHBondContact ND2-OXT 3.44Å; N554-V673 PolarHBondContact OD1-OXT 2.84Å
555F98.4Very high98.6Very high12 Ų124.3 Ų4.35%0.0532%0.021CC..THydrogen-bonded Turntrans-74.3-9.1-168-64.1-69.5000114.8A551 Y610 P668 V673A551-F555 HydrophobicContact CB-CD2 3.89Å; A551-F555 HydrophobicContact CB-CE2 3.98Å; A551-F555 PolarHBondContact O-N 2.69Å; F555-Y610 HydrophobicContact CD1-CD1 4.18Å; F555-Y610 AromaticContact CD1-CE1 3.63Å; F555-Y610 HydrophobicContact CD1-CE1 3.63Å; F555-Y610 HydrophobicContact CD1-CE2 4.21Å; F555-Y610 AromaticContact CD1-CZ 3.63Å; F555-Y610 AromaticContact CD2-CE1 3.85Å; F555-Y610 HydrophobicContact CD2-CE1 3.85Å; F555-Y610 AromaticContact CD2-CZ 3.98Å; F555-Y610 AromaticContact CE1-CD1 3.59Å; F555-Y610 HydrophobicContact CE1-CD1 3.59Å; F555-Y610 AromaticContact CE1-CE1 3.35Å; F555-Y610 HydrophobicContact CE1-CE1 3.35Å; F555-Y610 HydrophobicContact CE1-CG 4.33Å; F555-Y610 AromaticContact CE1-CZ 3.88Å; F555-Y610 HydrophobicContact CE2-CD1 4.44Å; F555-Y610 AromaticContact CE2-CE1 3.61Å; F555-Y610 HydrophobicContact CE2-CE1 3.61Å; F555-Y610 AromaticContact CG-CE1 3.88Å; F555-Y610 HydrophobicContact CG-CE1 3.88Å; F555-Y610 AromaticContact CG-CZ 3.7Å; F555-Y610 WeakPolarHBondContact CG-OH 3.37Å; F555-Y610 AromaticContact CZ-CD1 3.74Å; F555-Y610 HydrophobicContact CZ-CD1 3.74Å; F555-Y610 AromaticContact CZ-CE1 3.34Å; F555-Y610 HydrophobicContact CZ-CE1 3.34Å; F555-P668 HydrophobicContact CE2-CG 3.63Å; F555-P668 HydrophobicContact CZ-CG 3.61Å; F555-V673 WeakPolarHBondContact CE1-O 3.23Å; F555-V673 WeakPolarHBondContact CZ-O 3.35Å
556G97.9Very high98.6Very high0 Ų04.3 Ų4.30%02%0.021CC..THydrogen-bonded Turntrans-84.2-4.2171.700000114.3C241 N554 Y558 D559 W560C241-G556 VanDerWaalsContact SG-C 3.57Å; N554-G556 PolarHBondContact O-N 2.79Å; N554-G556 VanDerWaalsContact O-N 3.12Å; G556-Y558 PolarHBondContact O-N 3.08Å; G556-D559 WeakPolarHBondContact O-CB 3.41Å; G556-D559 PolarHBondContact O-N 3.31Å; G556-W560 PolarHBondContact O-N 3.37Å
557Q98.8Very high98.6Very high0 Ų04.3 Ų4.30%02%0.021CC..Hα-helixtrans-60.7-46.5-172.8-75.9173.1102.400111.8C241 N554 D559 C561 V604 S608C241-Q557 PolarHBondContact SG-N 3.49Å; N554-Q557 WeakPolarHBondContact O-CB 3.34Å; N554-Q557 WeakPolarHBondContact O-CG 3.49Å; N554-Q557 PolarHBondContact O-N 3.2Å; N554-Q557 VanDerWaalsContact O-N 3.08Å; N554-Q557 PolarHBondContact O-NE2 2.88Å; N554-Q557 PolarHBondContact OD1-NE2 3.34Å; Q557-D559 PolarHBondContact O-N 3.04Å; Q557-C561 WeakPolarHBondContact O-CA 3.3Å; Q557-C561 WeakPolarHBondContact O-CB 3.32Å; Q557-C561 PolarHBondContact O-N 3.2Å; Q557-V604 HydrophobicContact CB-CB 4.02Å; Q557-V604 HydrophobicContact CB-CG1 4.3Å; Q557-S608 WeakPolarHBondContact CB-OG 3.48Å
558Y98.5Very high98.6Very high10 Ų104.3 Ų4.34%0.0392%0.021CC..Hα-helixtrans-67.7-36.9177.6-161.4-106.6000112.4L189 I215 G556 W560 S562 L601 V604 W605 S608L189-Y558 HydrophobicContact CD1-CE2 4.36Å; L189-Y558 WeakPolarHBondContact CD2-OH 3.43Å; I215-Y558 PolarHBondContact O-OH 2.94Å; G556-Y558 PolarHBondContact O-N 3.08Å; Y558-W560 PolarHBondContact O-N 3.25Å; Y558-S562 WeakPolarHBondContact O-CB 3.41Å; Y558-S562 PolarHBondContact O-N 3.22Å; Y558-S562 PolarHBondContact O-OG 3.24Å; Y558-L601 HydrophobicContact CE2-CD2 4.39Å; Y558-V604 HydrophobicContact CD2-CG2 3.88Å; Y558-W605 VanDerWaalsContact CD2-CA 3.42Å; Y558-W605 HydrophobicContact CD2-CB 3.51Å; Y558-W605 AromaticContact CD2-CD1 3.82Å; Y558-W605 HydrophobicContact CD2-CG 4.09Å; Y558-W605 AromaticContact CE1-CD1 3.94Å; Y558-W605 HydrophobicContact CE2-CB 3.6Å; Y558-W605 AromaticContact CE2-CD1 3.65Å; Y558-W605 HydrophobicContact CE2-CG 4.03Å; Y558-W605 HydrophobicContact CG-CB 4.36Å; Y558-W605 AromaticContact CZ-CD1 3.7Å; Y558-S608 PolarHBondContact N-OG 3.13Å
559D98.3Very high98.6Very high26 Ų264.3 Ų4.314%0.1392%0.021CC..Hα-helixtrans-59.6-48178.8-69.8-20.2000112.2N217 I219 S220 G556 Q557N217-D559 PolarHBondContact ND2-OD1 3.3Å; N217-D559 PolarHBondContact OD1-OD1 2.88Å; I219-D559 HydrophobicContact CB-CB 3.87Å; I219-D559 HydrophobicContact CD1-CB 4.26Å; I219-D559 WeakPolarHBondContact CD1-OD2 3.43Å; I219-D559 HydrophobicContact CG2-CB 3.76Å; S220-D559 VanDerWaalsContact CA-O 3.27Å; S220-D559 WeakPolarHBondContact CA-O 3.42Å; S220-D559 VanDerWaalsContact CB-O 3.26Å; S220-D559 WeakPolarHBondContact CB-O 3.29Å; G556-D559 WeakPolarHBondContact O-CB 3.41Å; G556-D559 PolarHBondContact O-N 3.31Å; Q557-D559 PolarHBondContact O-N 3.04Å
560W98.4Very high98.6Very high8 Ų83.5 Ų3.53%0.032%0.017CC..Hα-helixtrans-98.7-27.6-170.4-61.7103.1000113.6I219 V223 M232 Y235 Q236 N239 C241 G556 Y558 N566 L657I219-W560 HydrophobicContact CG2-CD2 4.34Å; I219-W560 HydrophobicContact CG2-CH2 4.32Å; I219-W560 HydrophobicContact CG2-CZ2 4.01Å; V223-W560 HydrophobicContact CG2-CE3 3.82Å; V223-W560 HydrophobicContact CG2-CZ3 4.12Å; M232-W560 HydrophobicContact CE-CE3 4.11Å; M232-W560 HydrophobicContact CE-CH2 4.04Å; M232-W560 HydrophobicContact CE-CZ3 3.29Å; M232-W560 HydrophobicContact SD-CZ3 4.24Å; Y235-W560 AromaticContact CD1-CH2 3.88Å; Y235-W560 HydrophobicContact CD1-CH2 3.88Å; Y235-W560 HydrophobicContact CD1-CZ3 4.45Å; Y235-W560 AromaticContact CE1-CH2 3.76Å; Y235-W560 HydrophobicContact CE1-CH2 3.76Å; Y235-W560 HydrophobicContact CE1-CZ2 4.34Å; Q236-W560 HydrophobicContact CG-CD2 4.5Å; Q236-W560 HydrophobicContact CG-CE3 3.55Å; Q236-W560 HydrophobicContact CG-CH2 4.39Å; Q236-W560 HydrophobicContact CG-CZ3 3.44Å; Q236-W560 VanDerWaalsContact CG-CZ3 3.44Å; N239-W560 WeakPolarHBondContact O-CZ2 3.22Å; C241-W560 HydrophobicContact CB-CB 4.14Å; C241-W560 HydrophobicContact CB-CG 4.3Å; G556-W560 PolarHBondContact O-N 3.37Å; Y558-W560 PolarHBondContact O-N 3.25Å; W560-N566 PolarHBondContact O-ND2 3.4Å; W560-L657 HydrophobicContact CH2-CD1 4.32Å; W560-L657 HydrophobicContact CH2-CD2 4.37Å
561C98.4Very high98.6Very high2 Ų23.5 Ų3.51%0.0142%0.017CC..Hα-helixtrans-105-13.3-172.4-510000113.7F359 Q557 W563 A567 H600 V604F359-C561 HydrophobicContact CD2-CB 4.45Å; F359-C561 HydrophobicContact CE2-CB 4.23Å; Q557-C561 WeakPolarHBondContact O-CA 3.3Å; Q557-C561 WeakPolarHBondContact O-CB 3.32Å; Q557-C561 PolarHBondContact O-N 3.2Å; C561-W563 VanDerWaalsContact C-N 3.32Å; C561-W563 PolarHBondContact O-N 3.31Å; C561-A567 HydrophobicContact CB-CB 3.76Å; C561-H600 PolarHBondContact O-NE2 2.97Å; C561-V604 HydrophobicContact CB-CG1 4.17Å
562S98.3Very high98.6Very high0 Ų05.3 Ų5.30%02%0.024CC..SBendtrans-68.4-30.1-178.863.10000113.2F212 S220 Y558 I564 L601F212-S562 WeakPolarHBondContact CE2-O 3.49Å; F212-S562 WeakPolarHBondContact CE2-OG 3.04Å; S220-S562 WeakPolarHBondContact CB-OG 2.88Å; S220-S562 PolarHBondContact OG-OG 3.47Å; Y558-S562 WeakPolarHBondContact O-CB 3.41Å; Y558-S562 PolarHBondContact O-N 3.22Å; Y558-S562 PolarHBondContact O-OG 3.24Å; S562-I564 PolarHBondContact O-N 3.18Å; S562-I564 VanDerWaalsContact O-N 3.1Å; S562-L601 VanDerWaalsContact O-CD2 3.32Å; S562-L601 WeakPolarHBondContact O-CD2 3.39Å
563W98.6Very high98.5Very high5 Ų58.4 Ų8.42%0.0194%0.037CC..SBendtrans-78.590.7164.4-176.6-109.5000109.4F208 E209 F212 V223 M224 W227 C561 P565 N566F208-W563 HydrophobicContact CD1-CD2 4.49Å; F208-W563 AromaticContact CD1-CE3 3.74Å; F208-W563 HydrophobicContact CD1-CE3 3.74Å; F208-W563 AromaticContact CD1-CH2 3.9Å; F208-W563 HydrophobicContact CD1-CH2 3.9Å; F208-W563 AromaticContact CD1-CZ3 3.39Å; F208-W563 HydrophobicContact CD1-CZ3 3.39Å; F208-W563 HydrophobicContact CE1-CD2 4.16Å; F208-W563 AromaticContact CE1-CE3 3.47Å; F208-W563 HydrophobicContact CE1-CE3 3.47Å; F208-W563 VanDerWaalsContact CE1-CE3 3.47Å; F208-W563 HydrophobicContact CE1-CH2 4.47Å; F208-W563 AromaticContact CE1-CZ3 3.65Å; F208-W563 HydrophobicContact CE1-CZ3 3.65Å; E209-W563 HydrophobicContact CB-CH2 4.28Å; E209-W563 HydrophobicContact CB-CZ3 4.39Å; F212-W563 HydrophobicContact CB-CE3 4.24Å; F212-W563 HydrophobicContact CB-CZ3 4.1Å; F212-W563 AromaticContact CD1-CE3 3.6Å; F212-W563 HydrophobicContact CD1-CE3 3.6Å; F212-W563 HydrophobicContact CD1-CZ3 4Å; F212-W563 HydrophobicContact CD2-CE3 4.24Å; F212-W563 HydrophobicContact CE1-CB 4.41Å; F212-W563 AromaticContact CE1-CE3 3.92Å; F212-W563 HydrophobicContact CE1-CE3 3.92Å; F212-W563 HydrophobicContact CE2-CB 4.37Å; F212-W563 AromaticContact CG-CE3 3.75Å; F212-W563 HydrophobicContact CG-CE3 3.75Å; F212-W563 HydrophobicContact CG-CZ3 4.09Å; F212-W563 HydrophobicContact CZ-CB 3.99Å; F212-W563 HydrophobicContact CZ-CE3 4.36Å; V223-W563 HydrophobicContact CG1-CB 3.89Å; V223-W563 HydrophobicContact CG1-CG 4.28Å; M224-W563 HydrophobicContact CB-CD2 3.85Å; M224-W563 HydrophobicContact CB-CE3 3.86Å; M224-W563 HydrophobicContact CB-CG 4.2Å; M224-W563 HydrophobicContact CB-CZ3 4.34Å; M224-W563 HydrophobicContact CG-CD2 3.95Å; M224-W563 HydrophobicContact CG-CE3 3.66Å; M224-W563 HydrophobicContact CG-CH2 3.85Å; M224-W563 HydrophobicContact CG-CZ2 4.11Å; M224-W563 HydrophobicContact CG-CZ3 3.61Å; M224-W563 HydrophobicContact SD-CE3 4.39Å; M224-W563 HydrophobicContact SD-CZ3 4.11Å; W227-W563 AromaticContact CD1-CD1 3.85Å; W227-W563 AromaticContact CD1-CE2 3.97Å; W227-W563 AromaticContact CD1-NE1 3.12Å; W227-W563 AromaticContact CD2-NE1 3.56Å; W227-W563 AromaticContact CE2-NE1 3.5Å; W227-W563 AromaticContact CG-CD1 3.76Å; W227-W563 AromaticContact CG-NE1 3.32Å; W227-W563 VanDerWaalsContact CG-NE1 3.32Å; W227-W563 AromaticContact NE1-CE2 3.78Å; W227-W563 AromaticContact NE1-CZ2 3.84Å; W227-W563 AromaticContact NE1-NE1 3.19Å; W227-W563 VanDerWaalsContact NE1-NE1 3.19Å; C561-W563 VanDerWaalsContact C-N 3.32Å; C561-W563 PolarHBondContact O-N 3.31Å; W563-P565 VanDerWaalsContact C-CD 3.41Å; W563-P565 VanDerWaalsContact C-N 3.34Å; W563-P565 HydrophobicContact CD2-CG 4.47Å; W563-P565 HydrophobicContact CZ2-CG 4.04Å; W563-P565 VanDerWaalsContact O-N 3.15Å; W563-N566 WeakPolarHBondContact O-CB 3.46Å; W563-N566 PolarHBondContact O-N 2.95Å
564I98.5Very high98.5Very high4 Ų411.7 Ų11.72%0.0216%0.059CC..G310 helixtrans-49.2-41.9-170-67.9173.2000114.7F208 S562 N566 A567 P568 P592 S597 L601F208-I564 HydrophobicContact CE1-CB 4.19Å; F208-I564 HydrophobicContact CE1-CG1 4.36Å; F208-I564 HydrophobicContact CE2-CD1 3.76Å; F208-I564 HydrophobicContact CE2-CG1 4.35Å; F208-I564 HydrophobicContact CZ-CB 4.09Å; F208-I564 HydrophobicContact CZ-CD1 3.7Å; F208-I564 HydrophobicContact CZ-CG1 3.76Å; S562-I564 PolarHBondContact O-N 3.18Å; S562-I564 VanDerWaalsContact O-N 3.1Å; I564-N566 PolarHBondContact O-N 3.33Å; I564-A567 CarbonylContact O-C 3.5Å; I564-A567 PolarHBondContact O-N 3.45Å; I564-P568 WeakPolarHBondContact O-CD 3.44Å; I564-P592 HydrophobicContact CG2-CB 4.47Å; I564-P592 HydrophobicContact CG2-CG 3.88Å; I564-S597 VanDerWaalsContact CD1-CA 3.49Å; I564-S597 VanDerWaalsContact CD1-OG 3.32Å; I564-S597 WeakPolarHBondContact CD1-OG 3.38Å; I564-L601 HydrophobicContact CD1-CG 4.49Å
565P98.4Very high98.5Very high4 Ų412.7 Ų12.73%0.0267%0.065CC..G310 helixtrans-58.2-21.6177.3-25.334.9000114.5F205 W227 W563 L591F205-P565 HydrophobicContact CD1-CG 4.07Å; F205-P565 HydrophobicContact CE1-CB 4.14Å; F205-P565 HydrophobicContact CE1-CG 3.8Å; W227-P565 HydrophobicContact CD2-CB 4.13Å; W227-P565 HydrophobicContact CE3-CB 3.83Å; W227-P565 HydrophobicContact CH2-CB 3.54Å; W227-P565 HydrophobicContact CH2-CG 4.48Å; W227-P565 HydrophobicContact CZ2-CB 3.85Å; W227-P565 HydrophobicContact CZ2-CG 4.46Å; W227-P565 HydrophobicContact CZ3-CB 3.52Å; W563-P565 VanDerWaalsContact C-CD 3.41Å; W563-P565 VanDerWaalsContact C-N 3.34Å; W563-P565 HydrophobicContact CD2-CG 4.47Å; W563-P565 HydrophobicContact CZ2-CG 4.04Å; W563-P565 VanDerWaalsContact O-N 3.15Å; P565-L591 HydrophobicContact CB-CD1 4.29Å; P565-L591 HydrophobicContact CG-CD1 4.12Å
566N98.8Very high98.4Very high3 Ų313 Ų132%0.0167%0.068CC..G310 helixtrans-88.2-14.3176.6-176.473.3000114.1V223 W227 Q236 R355 W560 W563 I564V223-N566 HydrophobicContact CG1-CB 3.55Å; W227-N566 HydrophobicContact CB-CB 4.15Å; Q236-N566 PolarHBondContact NE2-OD1 2.66Å; Q236-N566 PolarHBondContact OE1-ND2 3.19Å; Q236-N566 PolarHBondContact OE1-OD1 3.46Å; R355-N566 VanDerWaalsContact CB-O 3.28Å; R355-N566 WeakPolarHBondContact CB-O 3.42Å; R355-N566 WeakPolarHBondContact CG-O 3.29Å; R355-N566 PolarHBondContact NE-O 2.85Å; R355-N566 PolarHBondContact NH2-O 2.92Å; W560-N566 PolarHBondContact O-ND2 3.4Å; W563-N566 WeakPolarHBondContact O-CB 3.46Å; W563-N566 PolarHBondContact O-N 2.95Å; I564-N566 PolarHBondContact O-N 3.33Å
567A98.6Very high98.3Very high0 Ų018.1 Ų18.10%09%0.09CC..SBendtrans-155.372.3172.300000110.5F359 C561 I564 S569F359-A567 HydrophobicContact CB-CB 4.43Å; F359-A567 HydrophobicContact CD2-CB 4.05Å; C561-A567 HydrophobicContact CB-CB 3.76Å; I564-A567 CarbonylContact O-C 3.5Å; I564-A567 PolarHBondContact O-N 3.45Å; A567-S569 PolarHBondContact O-N 3.42Å
568P98.8Very high98Very high0 Ų023.6 Ų23.60%012%0.116CC..  trans-64.4128.3-179.9-16.428.6000110.5I352 S356 I564 T570 M571 L591 P592I352-P568 HydrophobicContact CG2-CG 3.64Å; S356-P568 WeakPolarHBondContact CA-O 3.34Å; S356-P568 PolarHBondContact OG-O 3.07Å; I564-P568 WeakPolarHBondContact O-CD 3.44Å; P568-T570 PolarHBondContact O-N 3.44Å; P568-M571 HydrophobicContact CB-SD 3.94Å; P568-M571 HydrophobicContact CG-SD 4.18Å; P568-L591 HydrophobicContact CB-CD2 4.05Å; P568-L591 HydrophobicContact CG-CD2 3.67Å; P568-P592 HydrophobicContact CB-CG 4.32Å
569S98.6Very high97.9Very high0 Ų026.8 Ų26.80%013%0.13CC..SBendtrans-72.9-20.117563.80000112.9Q360 A424 N425 A426 A567Q360-S569 PolarHBondContact NE2-O 3.42Å; A424-S569 CarbonylContact O-C 3.58Å; A424-S569 VanDerWaalsContact O-CB 3.29Å; A424-S569 WeakPolarHBondContact O-CB 3.42Å; A424-S569 PolarHBondContact O-OG 2.91Å; N425-S569 WeakPolarHBondContact CA-O 3.05Å; A426-S569 PolarHBondContact N-O 3.21Å; A567-S569 PolarHBondContact O-N 3.42Å
570T98.9Very high97.8Very high0 Ų028.7 Ų28.70%016%0.156CC..  trans-154.5163.9177-170.50000111.7Q304 P568 P592Q304-T570 WeakPolarHBondContact CG-OG1 3.47Å; Q304-T570 VanDerWaalsContact OE1-CB 3.28Å; Q304-T570 PolarHBondContact OE1-OG1 3.5Å; P568-T570 PolarHBondContact O-N 3.44Å; T570-P592 HydrophobicContact CG2-CB 4.03Å; T570-P592 HydrophobicContact CG2-CG 3.88Å; T570-P592 WeakPolarHBondContact O-CD 3.39Å; T570-P592 WeakPolarHBondContact O-CG 3.48Å
571M98.9Very high97.5Very high0 Ų034.5 Ų34.50%018%0.183CC..BIsolated β-bridgetrans-129.1133.2172.3-61.4-65.6-78.200109.4Q304 Y305 L349 I352 W353 P568 S590 L591Q304-M571 CarbonylContact C-O 3.53Å; Q304-M571 WeakPolarHBondContact CA-O 3.43Å; Y305-M571 PolarHBondContact N-O 3.19Å; L349-M571 HydrophobicContact CD1-CE 3.91Å; I352-M571 HydrophobicContact CG2-CE 3.88Å; I352-M571 HydrophobicContact CG2-SD 4.12Å; W353-M571 HydrophobicContact CD2-CE 3.9Å; W353-M571 HydrophobicContact CD2-CG 4.15Å; W353-M571 HydrophobicContact CE3-CB 4.35Å; W353-M571 HydrophobicContact CE3-CE 4.49Å; W353-M571 HydrophobicContact CE3-CG 3.79Å; W353-M571 HydrophobicContact CG-CE 4.24Å; W353-M571 HydrophobicContact CH2-CB 3.26Å; W353-M571 HydrophobicContact CH2-CG 3.65Å; W353-M571 HydrophobicContact CZ2-CB 3.68Å; W353-M571 HydrophobicContact CZ2-CE 3.88Å; W353-M571 HydrophobicContact CZ2-CG 3.97Å; W353-M571 HydrophobicContact CZ3-CB 3.63Å; W353-M571 HydrophobicContact CZ3-CG 3.54Å; P568-M571 HydrophobicContact CB-SD 3.94Å; P568-M571 HydrophobicContact CG-SD 4.18Å; M571-S590 CarbonylContact C-O 3.55Å; M571-S590 VanDerWaalsContact CA-O 3.29Å; M571-S590 WeakPolarHBondContact CA-O 3.23Å; M571-L591 HydrophobicContact SD-CD2 4.5Å
572R98.7Very high97.4Very high37 Ų3735.2 Ų35.214%0.1419%0.188CC..SBendtrans-103-0.2-173.2-63-174.9-66.1147.12.4114.5S201 T302 Q303 Y305 I588 E589 S590 L591S201-R572 PolarHBondContact OG-NH1 3.23Å; S201-R572 PolarHBondContact OG-NH2 3.4Å; T302-R572 HydrophobicContact CG2-CB 4.38Å; T302-R572 HydrophobicContact CG2-CG 3.68Å; Q303-R572 WeakPolarHBondContact O-CA 3.3Å; Y305-R572 WeakPolarHBondContact CE2-O 3.22Å; R572-I588 PolarHBondContact NH2-O 3.25Å; R572-E589 PolarHBondContact NH2-O 3.32Å; R572-S590 PolarHBondContact N-O 2.86Å; R572-L591 VanDerWaalsContact CZ-O 3.23Å; R572-L591 PolarHBondContact NE-O 3.13Å; R572-L591 PolarHBondContact NH2-O 2.96Å
573K98.3Very high97.3Very high65 Ų6538.7 Ų38.728%0.28321%0.206SC..SBendtrans-127.8156.8169-71.7-167.4175.2-178.40108.8Y305 W353 T586 E589 S590Y305-K573 WeakPolarHBondContact CD2-O 3.28Å; W353-K573 WeakPolarHBondContact CH2-O 3.49Å; W353-K573 WeakPolarHBondContact CZ2-O 3.3Å; K573-T586 HydrophobicContact CD-CG2 4.42Å; K573-E589 HydrophobicContact CD-CB 4.42Å; K573-E589 WeakPolarHBondContact CE-OE2 3.22Å; K573-E589 IonicContact NZ-OE2 3.87Å; K573-E589 PolarHBondContact NZ-OE2 3.4Å; K573-S590 WeakPolarHBondContact CB-OG 3.49Å
574P98.1Very high97.1Very high70 Ų7041.1 Ų41.146%0.45522%0.221SC..PPolyproline II helixtrans-68.8160.4176.129.4-35.1000111.8Y305Y305-P574 HydrophobicContact CD1-CB 3.88Å; Y305-P574 HydrophobicContact CE1-CB 3.77Å; Y305-P574 HydrophobicContact CE1-CG 4.31Å; Y305-P574 HydrophobicContact CG-CB 4.48Å
575P97.9Very high97Very high20 Ų2047 Ų4713%0.1325%0.247CC..PPolyproline II helixtrans-55142.1169.2-24.534.3000111.8A307 L328 W353 K577A307-P575 HydrophobicContact CB-CG 4.05Å; L328-P575 HydrophobicContact CB-CB 4.14Å; L328-P575 HydrophobicContact CD1-CB 3.99Å; W353-P575 HydrophobicContact CD2-CB 4.49Å; W353-P575 HydrophobicContact CD2-CG 4.15Å; W353-P575 HydrophobicContact CE3-CG 4.23Å; W353-P575 HydrophobicContact CH2-CG 3.76Å; W353-P575 HydrophobicContact CZ2-CB 4.26Å; W353-P575 HydrophobicContact CZ2-CG 3.72Å; W353-P575 VanDerWaalsContact CZ2-N 3.33Å; W353-P575 HydrophobicContact CZ3-CG 4.03Å; P575-K577 PolarHBondContact O-N 2.85Å
576P96.8Very high96.9Very high18 Ų1848.5 Ų48.512%0.11726%0.256CS..PPolyproline II helixtrans-62.1130.8177.124.8-33.7000111.3L328 F338 L349 V582L328-P576 HydrophobicContact CD1-CG 3.94Å; F338-P576 HydrophobicContact CE1-CG 4.23Å; F338-P576 HydrophobicContact CE2-CG 4.19Å; F338-P576 HydrophobicContact CZ-CB 4.01Å; F338-P576 HydrophobicContact CZ-CG 3.59Å; L349-P576 HydrophobicContact CD2-CG 4.12Å; P576-V582 HydrophobicContact CB-CG2 4.03Å; P576-V582 HydrophobicContact CG-CG2 4.38Å
577K94.9Very high96.9Very high108 Ų10848.4 Ų48.447%0.4726%0.255SS..SBendtrans-95.2-12.9177.6-66.8-63.9-167.8172.50113.5E334 N335 P575E334-K577 WeakPolarHBondContact O-CD 3.37Å; E334-K577 PolarHBondContact O-NZ 3.18Å; E334-K577 IonicContact OE2-NZ 2.69Å; N335-K577 PolarHBondContact OD1-NZ 3.03Å; P575-K577 PolarHBondContact O-N 2.85Å
578E93.8Very high96.9Very high115 Ų11549 Ų4954%0.53726%0.259SS..SBendtrans-135.6152.4179.5-64-179.6-166.300110Q581E578-Q581 PolarHBondContact OE2-NE2 3.45Å
579K96.4Very high96.8Very high77 Ų7752.1 Ų52.134%0.33527%0.273SS..SBendtrans-87.4157.2176-61.1-175.1176.5-163.10111.2I337 F338 D342 Q581I337-K579 WeakPolarHBondContact O-CE 3.39Å; I337-K579 PolarHBondContact O-NZ 2.84Å; F338-K579 HydrophobicContact CD1-CG 4.25Å; F338-K579 HydrophobicContact CE1-CG 3.99Å; D342-K579 IonicContact OD1-NZ 2.74Å; D342-K579 PolarHBondContact OD1-NZ 2.83Å; D342-K579 WeakPolarHBondContact OD2-CE 3.11Å; D342-K579 IonicContact OD2-NZ 3.79Å; D342-K579 PolarHBondContact OD2-NZ 3.23Å; K579-Q581 VanDerWaalsContact C-N 3.3Å; K579-Q581 PolarHBondContact O-N 3.03Å
580G95.8Very high96.8Very high66 Ų6652.2 Ų52.268%0.6827%0.274SS*.SBendtrans79.27.5173.800000115D346D346-G580 VanDerWaalsContact CG-N 3.35Å; D346-G580 PolarHBondContact OD1-N 3.3Å; D346-G580 VanDerWaalsContact OD2-CA 3.31Å; D346-G580 WeakPolarHBondContact OD2-CA 3.4Å; D346-G580 PolarHBondContact OD2-N 2.92Å
581Q92.2Very high96.8Very high130 Ų13052.6 Ų52.661%0.60728%0.276SS*.  trans-106.7-13.2-178.3-65.3-173.3-300113.4E578 K579E578-Q581 PolarHBondContact OE2-NE2 3.45Å; K579-Q581 VanDerWaalsContact C-N 3.3Å; K579-Q581 PolarHBondContact O-N 3.03Å
582V96.4Very high96.8Very high17 Ų1752.6 Ų52.610%0.10328%0.276CS..  trans-84.4128.4-175.1-173.90000110.5Y345 D346 L349 P576 T586 I587Y345-V582 WeakPolarHBondContact CB-O 3.44Å; D346-V582 VanDerWaalsContact OD1-CB 3.3Å; D346-V582 WeakPolarHBondContact OD1-CB 3.4Å; D346-V582 VanDerWaalsContact OD1-CG2 3.23Å; D346-V582 WeakPolarHBondContact OD1-CG2 3.49Å; D346-V582 PolarHBondContact OD1-N 3.26Å; L349-V582 HydrophobicContact CB-CG1 4.02Å; L349-V582 HydrophobicContact CD2-CB 4.42Å; L349-V582 HydrophobicContact CD2-CG1 3.59Å; L349-V582 HydrophobicContact CD2-CG2 3.86Å; L349-V582 HydrophobicContact CG-CG1 4.44Å; P576-V582 HydrophobicContact CB-CG2 4.03Å; P576-V582 HydrophobicContact CG-CG2 4.38Å; V582-T586 HydrophobicContact CG1-CG2 4.33Å; V582-I587 HydrophobicContact CG1-CD1 4.35Å; V582-I587 HydrophobicContact CG1-CG1 3.9Å
583D95.8Very high96.8Very high73 Ų7350.9 Ų50.939%0.3927%0.269SS..  trans-118.6174.3167.970.5-0.4000111.6K585 T586 I587D583-K585 PolarHBondContact O-N 3.41Å; D583-K585 PolarHBondContact OD1-N 2.97Å; D583-T586 WeakPolarHBondContact O-CB 3.34Å; D583-T586 PolarHBondContact O-N 2.93Å; D583-T586 VanDerWaalsContact OD1-CB 3.27Å; D583-T586 WeakPolarHBondContact OD1-CB 3.49Å; D583-T586 PolarHBondContact OD1-N 3.12Å; D583-T586 PolarHBondContact OD1-OG1 2.77Å; D583-I587 PolarHBondContact O-N 3.18Å
584V95.2Very high96.8Very high56 Ų5650.3 Ų50.334%0.33927%0.265SS..Hα-helixtrans-59.2-35.5179.566.70000112.5F205 Y345 T586 I587 I588F205-V584 HydrophobicContact CD2-CG2 4.13Å; F205-V584 HydrophobicContact CE2-CG2 3.82Å; Y345-V584 HydrophobicContact CE1-CB 4Å; Y345-V584 HydrophobicContact CE1-CG2 4.43Å; Y345-V584 HydrophobicContact CE2-CB 4.28Å; V584-T586 VanDerWaalsContact C-N 3.35Å; V584-I587 PolarHBondContact O-N 3.3Å; V584-I588 WeakPolarHBondContact O-CG1 3.33Å; V584-I588 PolarHBondContact O-N 3.29Å
585K96.1Very high96.8Very high128 Ų12847 Ų4756%0.55724%0.244SC*.Hα-helixtrans-65.1-43.3179.6180179.3172.2-176.60110.3D583 I587 I588 E589D583-K585 PolarHBondContact O-N 3.41Å; D583-K585 PolarHBondContact OD1-N 2.97Å; K585-I587 VanDerWaalsContact C-N 3.3Å; K585-I587 PolarHBondContact O-N 3.06Å; K585-I588 PolarHBondContact O-N 3.39Å; K585-E589 WeakPolarHBondContact CE-OE1 3.43Å; K585-E589 HydrophobicContact CG-CG 4.41Å; K585-E589 IonicContact NZ-OE1 3.87Å; K585-E589 WeakPolarHBondContact O-CB 3.1Å; K585-E589 WeakPolarHBondContact O-CG 3.48Å; K585-E589 PolarHBondContact O-N 3.29Å
586T96.6Very high96.8Very high36 Ų3646.2 Ų46.222%0.22124%0.238CC..Hα-helixtrans-57.9-43.6175.6-59.60000111.2K573 V582 D583 V584 S590K573-T586 HydrophobicContact CD-CG2 4.42Å; V582-T586 HydrophobicContact CG1-CG2 4.33Å; D583-T586 WeakPolarHBondContact O-CB 3.34Å; D583-T586 PolarHBondContact O-N 2.93Å; D583-T586 VanDerWaalsContact OD1-CB 3.27Å; D583-T586 WeakPolarHBondContact OD1-CB 3.49Å; D583-T586 PolarHBondContact OD1-N 3.12Å; D583-T586 PolarHBondContact OD1-OG1 2.77Å; V584-T586 VanDerWaalsContact C-N 3.35Å; T586-S590 WeakPolarHBondContact O-CB 3.42Å; T586-S590 PolarHBondContact O-N 2.93Å; T586-S590 PolarHBondContact O-OG 3.35Å
587I98.2Very high96.9Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-61.9-50176.4-61.9175.7000110.9F205 Y345 L348 L349 I352 V582 D583 V584 K585 E589 S590 L591F205-I587 HydrophobicContact CZ-CG2 3.88Å; Y345-I587 HydrophobicContact CD1-CD1 3.79Å; Y345-I587 HydrophobicContact CG-CD1 4.28Å; L348-I587 HydrophobicContact CB-CD1 4.43Å; L348-I587 HydrophobicContact CD2-CD1 4.04Å; L348-I587 HydrophobicContact CG-CD1 4.3Å; L349-I587 HydrophobicContact CB-CD1 4.38Å; L349-I587 HydrophobicContact CB-CG1 4.16Å; L349-I587 HydrophobicContact CD1-CG1 4.29Å; I352-I587 HydrophobicContact CD1-CG2 3.55Å; V582-I587 HydrophobicContact CG1-CD1 4.35Å; V582-I587 HydrophobicContact CG1-CG1 3.9Å; D583-I587 PolarHBondContact O-N 3.18Å; V584-I587 PolarHBondContact O-N 3.3Å; K585-I587 VanDerWaalsContact C-N 3.3Å; K585-I587 PolarHBondContact O-N 3.06Å; I587-E589 VanDerWaalsContact C-N 3.32Å; I587-E589 PolarHBondContact O-N 2.81Å; I587-S590 WeakPolarHBondContact O-CA 3.42Å; I587-S590 WeakPolarHBondContact O-CB 3.46Å; I587-S590 PolarHBondContact O-N 2.9Å; I587-L591 HydrophobicContact CG2-CD1 4.02Å; I587-L591 HydrophobicContact CG2-CG 4.28Å; I587-L591 WeakPolarHBondContact O-CG 3.38Å; I587-L591 PolarHBondContact O-N 2.87Å
588I97.9Very high97.1Very high14 Ų1440.3 Ų40.37%0.07221%0.211CC..Hα-helixtrans-61.9-39.7-178.3-66.8-67.6000112W202 F205 R572 V584 K585 S590W202-I588 HydrophobicContact CB-CG2 4.48Å; W202-I588 WeakPolarHBondContact O-CG2 3.43Å; F205-I588 HydrophobicContact CD1-CD1 3.81Å; F205-I588 HydrophobicContact CD2-CD1 4.07Å; F205-I588 HydrophobicContact CE1-CD1 3.82Å; F205-I588 HydrophobicContact CE2-CD1 4.09Å; F205-I588 HydrophobicContact CG-CD1 3.93Å; F205-I588 HydrophobicContact CZ-CD1 3.96Å; R572-I588 PolarHBondContact NH2-O 3.25Å; V584-I588 WeakPolarHBondContact O-CG1 3.33Å; V584-I588 PolarHBondContact O-N 3.29Å; K585-I588 PolarHBondContact O-N 3.39Å; I588-S590 VanDerWaalsContact C-N 3.28Å; I588-S590 PolarHBondContact O-N 3.37Å
589E97.5Very high97.3Very high65 Ų6535.9 Ų35.930%0.30419%0.19SC..Hα-helixtrans-71.2-23.9174.9-69.1176.3170.200112.7R572 K573 K585 I587R572-E589 PolarHBondContact NH2-O 3.32Å; K573-E589 HydrophobicContact CD-CB 4.42Å; K573-E589 WeakPolarHBondContact CE-OE2 3.22Å; K573-E589 IonicContact NZ-OE2 3.87Å; K573-E589 PolarHBondContact NZ-OE2 3.4Å; K585-E589 WeakPolarHBondContact CE-OE1 3.43Å; K585-E589 HydrophobicContact CG-CG 4.41Å; K585-E589 IonicContact NZ-OE1 3.87Å; K585-E589 WeakPolarHBondContact O-CB 3.1Å; K585-E589 WeakPolarHBondContact O-CG 3.48Å; K585-E589 PolarHBondContact O-N 3.29Å; I587-E589 VanDerWaalsContact C-N 3.32Å; I587-E589 PolarHBondContact O-N 2.81Å
590S98.4Very high97.4Very high1 Ų132.4 Ų32.41%0.00717%0.174CC..Hα-helixtrans-80.6-36.4175.3-54.30000112.4M571 R572 K573 T586 I587 I588M571-S590 CarbonylContact C-O 3.55Å; M571-S590 VanDerWaalsContact CA-O 3.29Å; M571-S590 WeakPolarHBondContact CA-O 3.23Å; R572-S590 PolarHBondContact N-O 2.86Å; K573-S590 WeakPolarHBondContact CB-OG 3.49Å; T586-S590 WeakPolarHBondContact O-CB 3.42Å; T586-S590 PolarHBondContact O-N 2.93Å; T586-S590 PolarHBondContact O-OG 3.35Å; I587-S590 WeakPolarHBondContact O-CA 3.42Å; I587-S590 WeakPolarHBondContact O-CB 3.46Å; I587-S590 PolarHBondContact O-N 2.9Å; I588-S590 VanDerWaalsContact C-N 3.28Å; I588-S590 PolarHBondContact O-N 3.37Å
591L98.8Very high97.5Very high8 Ų829.4 Ų29.44%0.04214%0.143CC..SBendtrans-64.1162.5179-75.4172.6000112.1F205 I352 P565 P568 M571 R572 I587F205-L591 HydrophobicContact CE1-CD1 3.83Å; F205-L591 HydrophobicContact CZ-CD1 4.38Å; I352-L591 HydrophobicContact CG2-CD2 3.91Å; P565-L591 HydrophobicContact CB-CD1 4.29Å; P565-L591 HydrophobicContact CG-CD1 4.12Å; P568-L591 HydrophobicContact CB-CD2 4.05Å; P568-L591 HydrophobicContact CG-CD2 3.67Å; M571-L591 HydrophobicContact SD-CD2 4.5Å; R572-L591 VanDerWaalsContact CZ-O 3.23Å; R572-L591 PolarHBondContact NE-O 3.13Å; R572-L591 PolarHBondContact NH2-O 2.96Å; I587-L591 HydrophobicContact CG2-CD1 4.02Å; I587-L591 HydrophobicContact CG2-CG 4.28Å; I587-L591 WeakPolarHBondContact O-CG 3.38Å; I587-L591 PolarHBondContact O-N 2.87Å
592P98.7Very high97.8Very high1 Ų123.2 Ų23.21%0.00611%0.114CC..PPolyproline II helixtrans-52.9141.8176.4-26.233.8000113.2I564 P568 T570 R596I564-P592 HydrophobicContact CG2-CB 4.47Å; I564-P592 HydrophobicContact CG2-CG 3.88Å; P568-P592 HydrophobicContact CB-CG 4.32Å; T570-P592 HydrophobicContact CG2-CB 4.03Å; T570-P592 HydrophobicContact CG2-CG 3.88Å; T570-P592 WeakPolarHBondContact O-CD 3.39Å; T570-P592 WeakPolarHBondContact O-CG 3.48Å; P592-R596 HydrophobicContact CB-CB 4Å
593D98.6Very high97.8Very high0 Ų023.3 Ų23.30%012%0.116CC..PPolyproline II helixtrans-66.4173.1168.157.177000111.8F198 S200 G595 R596 S597F198-D593 VanDerWaalsContact CA-OD1 3.32Å; F198-D593 WeakPolarHBondContact CA-OD1 3.31Å; S200-D593 WeakPolarHBondContact O-CB 3.27Å; D593-G595 VanDerWaalsContact C-N 3.3Å; D593-G595 PolarHBondContact O-N 3.22Å; D593-G595 WeakPolarHBondContact OD1-CA 3.41Å; D593-G595 PolarHBondContact OD1-N 3.18Å; D593-R596 PolarHBondContact O-N 2.86Å; D593-R596 WeakPolarHBondContact OD1-CG 3.44Å; D593-R596 PolarHBondContact OD1-N 2.88Å; D593-R596 IonicContact OD1-NH1 3.82Å; D593-R596 VanDerWaalsContact OD2-CD 3.25Å; D593-R596 WeakPolarHBondContact OD2-CD 3.41Å; D593-R596 WeakPolarHBondContact OD2-CG 3.29Å; D593-R596 IonicContact OD2-CZ 2.69Å; D593-R596 IonicContact OD2-NE 2.93Å; D593-R596 IonicContact OD2-NH1 3.73Å; D593-R596 PolarHBondContact OD2-NH1 3.25Å; D593-S597 WeakPolarHBondContact O-CB 3.23Å; D593-S597 PolarHBondContact O-N 2.95Å; D593-S597 PolarHBondContact O-OG 3.45Å
594R98.4Very high97.9Very high53 Ų5320 Ų2020%0.210%0.098CC..Hα-helixtrans-60.8-36-178.8-69.9179.7179.1177.10.9113.1F194 M197 S200 W202 D207 S598F194-R594 HydrophobicContact CB-CB 4.16Å; F194-R594 HydrophobicContact CD1-CB 4.26Å; F194-R594 HydrophobicContact CG-CB 4.38Å; M197-R594 HydrophobicContact CB-CB 4.12Å; S200-R594 WeakPolarHBondContact O-CB 3.38Å; S200-R594 WeakPolarHBondContact O-CG 3.36Å; S200-R594 PolarHBondContact O-N 3.47Å; W202-R594 HydrophobicContact CD2-CG 3.78Å; W202-R594 HydrophobicContact CE3-CG 3.98Å; W202-R594 HydrophobicContact CG-CG 4.36Å; W202-R594 HydrophobicContact CH2-CG 4.01Å; W202-R594 HydrophobicContact CZ2-CB 4.27Å; W202-R594 HydrophobicContact CZ2-CG 3.8Å; W202-R594 HydrophobicContact CZ3-CG 4.09Å; D207-R594 IonicContact OD1-NH2 3.88Å; D207-R594 IonicContact OD2-CZ 3.85Å; D207-R594 IonicContact OD2-NE 3.11Å; D207-R594 IonicContact OD2-NH2 3.77Å; D207-R594 PolarHBondContact OD2-NH2 2.88Å; R594-S598 WeakPolarHBondContact O-CB 3.48Å; R594-S598 PolarHBondContact O-N 3.45Å
595G98.3Very high98Very high0 Ų020.5 Ų20.50%09%0.094CC..Hα-helixtrans-63.1-56.8176.400000112F194 M197 D593 S597 S598 W599F194-G595 VanDerWaalsContact O-CA 3.23Å; F194-G595 WeakPolarHBondContact O-CA 3.45Å; M197-G595 PolarHBondContact O-N 2.95Å; M197-G595 VanDerWaalsContact O-N 3.09Å; D593-G595 VanDerWaalsContact C-N 3.3Å; D593-G595 PolarHBondContact O-N 3.22Å; D593-G595 WeakPolarHBondContact OD1-CA 3.41Å; D593-G595 PolarHBondContact OD1-N 3.18Å; G595-S597 VanDerWaalsContact C-N 3.26Å; G595-S597 PolarHBondContact O-N 2.74Å; G595-S598 WeakPolarHBondContact O-CB 3.26Å; G595-S598 PolarHBondContact O-N 3.17Å; G595-S598 VanDerWaalsContact O-N 3.12Å; G595-W599 VanDerWaalsContact O-CD1 3.27Å; G595-W599 PolarHBondContact O-N 2.96Å; G595-W599 VanDerWaalsContact O-N 3.14Å
596R98.6Very high98Very high4 Ų415 Ų152%0.0157%0.073CC..Hα-helixtrans-60-38.8177.7-62.5-172.2169.467.31.9111.6F198 D299 K423 A424 P592 D593 S598 W599 H600F198-R596 HydrophobicContact CD1-CG 3.86Å; F198-R596 HydrophobicContact CE1-CG 4.16Å; F198-R596 PolarHBondContact O-NH1 3.36Å; F198-R596 VanDerWaalsContact O-NH1 3.13Å; D299-R596 IonicContact OD2-CZ 3.98Å; D299-R596 IonicContact OD2-NH1 3.39Å; D299-R596 IonicContact OD2-NH2 2.84Å; D299-R596 PolarHBondContact OD2-NH2 3.47Å; K423-R596 WeakPolarHBondContact O-CG 3.25Å; A424-R596 HydrophobicContact CB-CB 4.22Å; P592-R596 HydrophobicContact CB-CB 4Å; D593-R596 PolarHBondContact O-N 2.86Å; D593-R596 WeakPolarHBondContact OD1-CG 3.44Å; D593-R596 PolarHBondContact OD1-N 2.88Å; D593-R596 IonicContact OD1-NH1 3.82Å; D593-R596 VanDerWaalsContact OD2-CD 3.25Å; D593-R596 WeakPolarHBondContact OD2-CD 3.41Å; D593-R596 WeakPolarHBondContact OD2-CG 3.29Å; D593-R596 IonicContact OD2-CZ 2.69Å; D593-R596 IonicContact OD2-NE 2.93Å; D593-R596 IonicContact OD2-NH1 3.73Å; D593-R596 PolarHBondContact OD2-NH1 3.25Å; R596-S598 PolarHBondContact O-N 3.08Å; R596-W599 PolarHBondContact O-N 3.22Å; R596-H600 VanDerWaalsContact O-CB 3.3Å; R596-H600 WeakPolarHBondContact O-CB 3.37Å; R596-H600 PolarHBondContact O-N 3.09Å
597S98.6Very high98Very high0 Ų014 Ų140%07%0.066CC..Hα-helixtrans-59.6-43.8174.2-61.80000112.8W202 I564 D593 G595 H600 L601W202-S597 PolarHBondContact NE1-OG 2.79Å; I564-S597 VanDerWaalsContact CD1-CA 3.49Å; I564-S597 VanDerWaalsContact CD1-OG 3.32Å; I564-S597 WeakPolarHBondContact CD1-OG 3.38Å; D593-S597 WeakPolarHBondContact O-CB 3.23Å; D593-S597 PolarHBondContact O-N 2.95Å; D593-S597 PolarHBondContact O-OG 3.45Å; G595-S597 VanDerWaalsContact C-N 3.26Å; G595-S597 PolarHBondContact O-N 2.74Å; S597-H600 PolarHBondContact O-N 3.07Å; S597-L601 WeakPolarHBondContact O-CB 3.41Å; S597-L601 WeakPolarHBondContact O-CG 3.01Å; S597-L601 PolarHBondContact O-N 3.5Å
598S98.1Very high97.9Very high2 Ų214.7 Ų14.71%0.0147%0.071CC..Hα-helixtrans-62.4-46.7177.5-177.20000111.8V191 R594 G595 R596 L601 G602V191-S598 PolarHBondContact O-OG 2.82Å; V191-S598 VanDerWaalsContact O-OG 3.1Å; R594-S598 WeakPolarHBondContact O-CB 3.48Å; R594-S598 PolarHBondContact O-N 3.45Å; G595-S598 WeakPolarHBondContact O-CB 3.26Å; G595-S598 PolarHBondContact O-N 3.17Å; G595-S598 VanDerWaalsContact O-N 3.12Å; R596-S598 PolarHBondContact O-N 3.08Å; S598-L601 PolarHBondContact O-N 3.39Å; S598-G602 PolarHBondContact O-N 3.28Å
599W98.3Very high97.8Very high23 Ų2317.3 Ų17.39%0.0878%0.083CC..Hα-helixtrans-66.7-40.1179.1-77.299.8000112.2I186 M195 F198 I420 K423 A424 G595 R596 G602 A603I186-W599 HydrophobicContact CD1-CD2 3.99Å; I186-W599 HydrophobicContact CD1-CE3 3.89Å; I186-W599 HydrophobicContact CD1-CG 4.48Å; I186-W599 HydrophobicContact CD1-CZ3 4.2Å; M195-W599 HydrophobicContact CG-CZ2 3.55Å; M195-W599 PolarHBondContact O-NE1 3.27Å; M195-W599 HydrophobicContact SD-CH2 4.18Å; M195-W599 HydrophobicContact SD-CZ2 3.72Å; F198-W599 AromaticContact CE1-CD1 3.89Å; F198-W599 AromaticContact CZ-CD1 3.57Å; F198-W599 AromaticContact CZ-NE1 3.49Å; I420-W599 HydrophobicContact CG2-CE3 3.87Å; I420-W599 HydrophobicContact CG2-CZ3 3.94Å; K423-W599 HydrophobicContact CB-CD2 4.44Å; K423-W599 HydrophobicContact CB-CG 4.2Å; K423-W599 HydrophobicContact CD-CD2 3.57Å; K423-W599 VanDerWaalsContact CD-CE2 3.45Å; K423-W599 HydrophobicContact CD-CE3 3.84Å; K423-W599 HydrophobicContact CD-CG 4.15Å; K423-W599 HydrophobicContact CD-CH2 3.92Å; K423-W599 HydrophobicContact CD-CZ2 3.64Å; K423-W599 HydrophobicContact CD-CZ3 4.01Å; A424-W599 HydrophobicContact CB-CB 4.07Å; G595-W599 VanDerWaalsContact O-CD1 3.27Å; G595-W599 PolarHBondContact O-N 2.96Å; G595-W599 VanDerWaalsContact O-N 3.14Å; R596-W599 PolarHBondContact O-N 3.22Å; W599-G602 PolarHBondContact O-N 2.72Å; W599-A603 WeakPolarHBondContact O-CB 3.21Å; W599-A603 PolarHBondContact O-N 3.13Å
600H98.4Very high97.6Very high4 Ų417.4 Ų17.42%0.0198%0.081CC..Hα-helixtrans-58.3-51.2173.8174.781.5000112.1F359 C561 R596 S597 G602 A603 V604F359-H600 AromaticContact CE2-CE1 3.64Å; F359-H600 AromaticContact CZ-CE1 3.64Å; F359-H600 AromaticContact CZ-ND1 3.71Å; C561-H600 PolarHBondContact O-NE2 2.97Å; R596-H600 VanDerWaalsContact O-CB 3.3Å; R596-H600 WeakPolarHBondContact O-CB 3.37Å; R596-H600 PolarHBondContact O-N 3.09Å; S597-H600 PolarHBondContact O-N 3.07Å; H600-G602 PolarHBondContact O-N 2.88Å; H600-A603 PolarHBondContact O-N 3.14Å; H600-V604 VanDerWaalsContact O-CG2 3.23Å; H600-V604 WeakPolarHBondContact O-CG2 3.37Å; H600-V604 PolarHBondContact O-N 3.39Å
601L98.3Very high97.1Very high2 Ų221.5 Ų21.51%0.0110%0.1CC..Hα-helixtrans-59.7-44.2178.2-76.6171.4000112.2L189 V191 F208 I215 Y558 S562 I564 S597 S598 A603 W605L189-L601 HydrophobicContact CD1-CB 4.2Å; V191-L601 HydrophobicContact CG1-CD1 4.26Å; F208-L601 HydrophobicContact CE2-CD1 4.18Å; I215-L601 HydrophobicContact CD1-CD1 3.93Å; I215-L601 HydrophobicContact CD1-CD2 4.18Å; Y558-L601 HydrophobicContact CE2-CD2 4.39Å; S562-L601 VanDerWaalsContact O-CD2 3.32Å; S562-L601 WeakPolarHBondContact O-CD2 3.39Å; I564-L601 HydrophobicContact CD1-CG 4.49Å; S597-L601 WeakPolarHBondContact O-CB 3.41Å; S597-L601 WeakPolarHBondContact O-CG 3.01Å; S597-L601 PolarHBondContact O-N 3.5Å; S598-L601 PolarHBondContact O-N 3.39Å; L601-A603 VanDerWaalsContact C-N 3.35Å; L601-W605 WeakPolarHBondContact O-CB 3.33Å; L601-W605 PolarHBondContact O-N 3.26Å; L601-W605 VanDerWaalsContact O-N 3.09Å
602G97.8Very high96.4Very high0 Ų030 Ų300%014%0.14CC..Hα-helixtrans-60.3-44.1176.100000112.6A185 S598 W599 H600 A606A185-G602 WeakPolarHBondContact CB-O 3.32Å; S598-G602 PolarHBondContact O-N 3.28Å; W599-G602 PolarHBondContact O-N 2.72Å; H600-G602 PolarHBondContact O-N 2.88Å; G602-A606 VanDerWaalsContact O-CB 3.27Å; G602-A606 WeakPolarHBondContact O-CB 3.47Å; G602-A606 PolarHBondContact O-N 3.28Å
603A97.5Very high95.9Very high19 Ų1936.4 Ų36.416%0.15717%0.174CC..Hα-helixtrans-64.5-58.1-179.700000112.2Y182 W599 H600 L601 W605 A606 L607Y182-A603 HydrophobicContact CD2-CB 3.77Å; Y182-A603 HydrophobicContact CE1-CB 4.32Å; Y182-A603 HydrophobicContact CE2-CB 3.22Å; W599-A603 WeakPolarHBondContact O-CB 3.21Å; W599-A603 PolarHBondContact O-N 3.13Å; H600-A603 PolarHBondContact O-N 3.14Å; L601-A603 VanDerWaalsContact C-N 3.35Å; A603-W605 PolarHBondContact O-N 2.91Å; A603-A606 PolarHBondContact O-N 3.49Å; A603-L607 WeakPolarHBondContact O-CG 3.43Å; A603-L607 PolarHBondContact O-N 3.41Å
604V97.9Very high95.7Very high3 Ų337.4 Ų37.42%0.01818%0.178CC..Hα-helixtrans-65.4-27.7-176-61.10000112.1F359 Q557 Y558 C561 H600 S608F359-V604 HydrophobicContact CE2-CG1 4.42Å; Q557-V604 HydrophobicContact CB-CB 4.02Å; Q557-V604 HydrophobicContact CB-CG1 4.3Å; Y558-V604 HydrophobicContact CD2-CG2 3.88Å; C561-V604 HydrophobicContact CB-CG1 4.17Å; H600-V604 VanDerWaalsContact O-CG2 3.23Å; H600-V604 WeakPolarHBondContact O-CG2 3.37Å; H600-V604 PolarHBondContact O-N 3.39Å; V604-S608 WeakPolarHBondContact O-CB 3.25Å; V604-S608 PolarHBondContact O-N 2.76Å; V604-S608 PolarHBondContact O-OG 3.28Å
605W97.9Very high95.6Very high67 Ų6736.7 Ų36.725%0.25418%0.178SC..Hα-helixtrans-69.5-52.1172-173.887.2000111.7A185 L189 Y558 L601 A603 L607 S608 Q609A185-W605 HydrophobicContact CB-CD2 4.21Å; A185-W605 HydrophobicContact CB-CE3 3.37Å; A185-W605 HydrophobicContact CB-CZ3 3.92Å; L189-W605 HydrophobicContact CD1-CB 3.9Å; L189-W605 HydrophobicContact CD1-CG 4.07Å; L189-W605 HydrophobicContact CD2-CG 4.31Å; L189-W605 HydrophobicContact CG-CG 4.46Å; Y558-W605 VanDerWaalsContact CD2-CA 3.42Å; Y558-W605 HydrophobicContact CD2-CB 3.51Å; Y558-W605 AromaticContact CD2-CD1 3.82Å; Y558-W605 HydrophobicContact CD2-CG 4.09Å; Y558-W605 AromaticContact CE1-CD1 3.94Å; Y558-W605 HydrophobicContact CE2-CB 3.6Å; Y558-W605 AromaticContact CE2-CD1 3.65Å; Y558-W605 HydrophobicContact CE2-CG 4.03Å; Y558-W605 HydrophobicContact CG-CB 4.36Å; Y558-W605 AromaticContact CZ-CD1 3.7Å; L601-W605 WeakPolarHBondContact O-CB 3.33Å; L601-W605 PolarHBondContact O-N 3.26Å; L601-W605 VanDerWaalsContact O-N 3.09Å; A603-W605 PolarHBondContact O-N 2.91Å; W605-L607 VanDerWaalsContact C-N 3.34Å; W605-L607 PolarHBondContact O-N 2.87Å; W605-S608 PolarHBondContact O-N 2.8Å; W605-S608 VanDerWaalsContact O-N 3.11Å; W605-Q609 HydrophobicContact CD2-CG 4.32Å; W605-Q609 HydrophobicContact CE3-CG 4.07Å; W605-Q609 HydrophobicContact CH2-CG 4.03Å; W605-Q609 HydrophobicContact CZ2-CG 4.26Å; W605-Q609 HydrophobicContact CZ3-CG 3.93Å; W605-Q609 WeakPolarHBondContact O-CG 3.43Å; W605-Q609 PolarHBondContact O-NE2 3.2Å
606A96Very high95.6Very high13 Ų1339.5 Ų39.511%0.10719%0.189CC..Hα-helixtrans-63.1-40.1-175.200000112.3N181 Y182 A185 G602 A603 S608 Q609N181-A606 HydrophobicContact CB-CB 4.41Å; Y182-A606 HydrophobicContact CD1-CB 3.63Å; Y182-A606 HydrophobicContact CE1-CB 3.84Å; A185-A606 HydrophobicContact CB-CB 4.22Å; G602-A606 VanDerWaalsContact O-CB 3.27Å; G602-A606 WeakPolarHBondContact O-CB 3.47Å; G602-A606 PolarHBondContact O-N 3.28Å; A603-A606 PolarHBondContact O-N 3.49Å; A606-S608 VanDerWaalsContact C-N 3.26Å; A606-S608 PolarHBondContact O-N 2.7Å; A606-Q609 PolarHBondContact O-N 3.32Å
607L95.8Very high95.6Very high16 Ų1639.8 Ų39.88%0.08419%0.191CC..Hα-helixtrans-69.3-22.5177.1-65.2176.4000113.1F178 Y182 N554 A603 W605 V673F178-L607 HydrophobicContact CE1-CD2 3.88Å; Y182-L607 HydrophobicContact CE1-CD2 4.42Å; Y182-L607 HydrophobicContact CE1-CG 4.3Å; Y182-L607 WeakPolarHBondContact OH-CD1 3.41Å; N554-L607 PolarHBondContact ND2-O 2.86Å; N554-L607 PolarHBondContact OD1-O 3.33Å; A603-L607 WeakPolarHBondContact O-CG 3.43Å; A603-L607 PolarHBondContact O-N 3.41Å; W605-L607 VanDerWaalsContact C-N 3.34Å; W605-L607 PolarHBondContact O-N 2.87Å; L607-V673 HydrophobicContact CD2-CG2 4.32Å
608S97Very high95.6Very high13 Ų1339.8 Ų39.89%0.09119%0.191CC..THydrogen-bonded Turntrans-92.18.9-178.6-540000113.7Q557 Y558 V604 W605 A606Q557-S608 WeakPolarHBondContact CB-OG 3.48Å; Y558-S608 PolarHBondContact N-OG 3.13Å; V604-S608 WeakPolarHBondContact O-CB 3.25Å; V604-S608 PolarHBondContact O-N 2.76Å; V604-S608 PolarHBondContact O-OG 3.28Å; W605-S608 PolarHBondContact O-N 2.8Å; W605-S608 VanDerWaalsContact O-N 3.11Å; A606-S608 VanDerWaalsContact C-N 3.26Å; A606-S608 PolarHBondContact O-N 2.7Å
609Q94.5Very high95.6Very high70 Ų7044 Ų4433%0.32721%0.212SC..PPolyproline II helixtrans-93.5139.4-178.9-58.7-48.3-62.800111.7W605 A606W605-Q609 HydrophobicContact CD2-CG 4.32Å; W605-Q609 HydrophobicContact CE3-CG 4.07Å; W605-Q609 HydrophobicContact CH2-CG 4.03Å; W605-Q609 HydrophobicContact CZ2-CG 4.26Å; W605-Q609 HydrophobicContact CZ3-CG 3.93Å; W605-Q609 WeakPolarHBondContact O-CG 3.43Å; W605-Q609 PolarHBondContact O-NE2 3.2Å; A606-Q609 PolarHBondContact O-N 3.32Å
610Y93Very high95.6Very high67 Ų6744.2 Ų44.226%0.26321%0.213SC..PPolyproline II helixtrans-84.2148.6165.6-60.2-72.2000110.5F555 E614 Y616 K666 P668F555-Y610 HydrophobicContact CD1-CD1 4.18Å; F555-Y610 AromaticContact CD1-CE1 3.63Å; F555-Y610 HydrophobicContact CD1-CE1 3.63Å; F555-Y610 HydrophobicContact CD1-CE2 4.21Å; F555-Y610 AromaticContact CD1-CZ 3.63Å; F555-Y610 AromaticContact CD2-CE1 3.85Å; F555-Y610 HydrophobicContact CD2-CE1 3.85Å; F555-Y610 AromaticContact CD2-CZ 3.98Å; F555-Y610 AromaticContact CE1-CD1 3.59Å; F555-Y610 HydrophobicContact CE1-CD1 3.59Å; F555-Y610 AromaticContact CE1-CE1 3.35Å; F555-Y610 HydrophobicContact CE1-CE1 3.35Å; F555-Y610 HydrophobicContact CE1-CG 4.33Å; F555-Y610 AromaticContact CE1-CZ 3.88Å; F555-Y610 HydrophobicContact CE2-CD1 4.44Å; F555-Y610 AromaticContact CE2-CE1 3.61Å; F555-Y610 HydrophobicContact CE2-CE1 3.61Å; F555-Y610 AromaticContact CG-CE1 3.88Å; F555-Y610 HydrophobicContact CG-CE1 3.88Å; F555-Y610 AromaticContact CG-CZ 3.7Å; F555-Y610 WeakPolarHBondContact CG-OH 3.37Å; F555-Y610 AromaticContact CZ-CD1 3.74Å; F555-Y610 HydrophobicContact CZ-CD1 3.74Å; F555-Y610 AromaticContact CZ-CE1 3.34Å; F555-Y610 HydrophobicContact CZ-CE1 3.34Å; Y610-E614 HydrophobicContact CD1-CG 4.09Å; Y610-Y616 AromaticContact CD1-CE1 3.85Å; Y610-Y616 HydrophobicContact CD1-CE1 3.85Å; Y610-Y616 AromaticContact CE1-CE1 3.9Å; Y610-Y616 HydrophobicContact CE1-CE1 3.9Å; Y610-Y616 HydrophobicContact CG-CE1 4.43Å; Y610-K666 WeakPolarHBondContact CE1-O 3.42Å; Y610-K666 PolarHBondContact OH-O 3.2Å; Y610-P668 HydrophobicContact CD1-CG 4.45Å; Y610-P668 HydrophobicContact CE1-CG 4.22Å
611Q87.8Confident95.5Very high87 Ų8747 Ų4741%0.40723%0.231SC..PPolyproline II helixtrans-70.6155.3168.8-61.8-62.4-33.100110.8N613 E614Q611-N613 PolarHBondContact O-N 3.29Å; Q611-E614 PolarHBondContact N-OE2 3.05Å; Q611-E614 VanDerWaalsContact N-OE2 3.11Å; Q611-E614 WeakPolarHBondContact O-CB 3.48Å; Q611-E614 PolarHBondContact O-N 2.9Å
612E85.8Confident95.3Very high187 Ų18748.8 Ų48.887%0.87424%0.241SC*.THydrogen-bonded Turntrans-58.6-35.4178.6-174.1179-172.900112.4
613N87.7Confident95.3Very high135 Ų13552.9 Ų52.972%0.72226%0.26SS*.THydrogen-bonded Turntrans-11140178.4-61.1-59.3000111.6Q611Q611-N613 PolarHBondContact O-N 3.29Å
614E94.1Very high95.3Very high20 Ų2053 Ų539%0.09326%0.257CS..  trans-56.8139.6178-165.160.6-108.900111.7Y610 Q611 Y616 P668Y610-E614 HydrophobicContact CD1-CG 4.09Å; Q611-E614 PolarHBondContact N-OE2 3.05Å; Q611-E614 VanDerWaalsContact N-OE2 3.11Å; Q611-E614 WeakPolarHBondContact O-CB 3.48Å; Q611-E614 PolarHBondContact O-N 2.9Å; E614-Y616 HydrophobicContact CB-CE1 4.26Å; E614-Y616 HydrophobicContact CB-CE2 4.18Å; E614-Y616 HydrophobicContact CG-CD1 4.23Å; E614-Y616 HydrophobicContact CG-CE1 3.79Å; E614-P668 HydrophobicContact CG-CB 4.46Å; E614-P668 HydrophobicContact CG-CG 4.34Å
615L96.5Very high95.3Very high38 Ų3853.4 Ų53.420%0.19926%0.259CS..  trans-104.6100.1177-63.8-179.5000109.5M619 P621 N669L615-M619 HydrophobicContact CD2-CE 4.45Å; L615-P621 HydrophobicContact CD1-CG 3.78Å; L615-P621 HydrophobicContact CD2-CG 3.91Å; L615-N669 PolarHBondContact O-N 3.3Å; L615-N669 PolarHBondContact O-ND2 3.01Å
616Y98.5Very high95.3Very high59 Ų5952.1 Ų52.123%0.23126%0.257CS..BIsolated β-bridgetrans-75.4163.6178.8-57.7-71.2000113Y610 E614 G618 M619 I667 N669Y610-Y616 AromaticContact CD1-CE1 3.85Å; Y610-Y616 HydrophobicContact CD1-CE1 3.85Å; Y610-Y616 AromaticContact CE1-CE1 3.9Å; Y610-Y616 HydrophobicContact CE1-CE1 3.9Å; Y610-Y616 HydrophobicContact CG-CE1 4.43Å; E614-Y616 HydrophobicContact CB-CE1 4.26Å; E614-Y616 HydrophobicContact CB-CE2 4.18Å; E614-Y616 HydrophobicContact CG-CD1 4.23Å; E614-Y616 HydrophobicContact CG-CE1 3.79Å; Y616-G618 PolarHBondContact O-N 2.76Å; Y616-M619 HydrophobicContact CD2-SD 4.03Å; Y616-M619 HydrophobicContact CG-SD 4.48Å; Y616-M619 WeakPolarHBondContact O-CB 3.28Å; Y616-M619 WeakPolarHBondContact O-CG 3.3Å; Y616-M619 PolarHBondContact O-N 2.95Å; Y616-I667 CarbonylContact C-O 3.52Å; Y616-I667 WeakPolarHBondContact CA-O 3.29Å; Y616-N669 PolarHBondContact O-ND2 2.64Å; Y616-N669 VanDerWaalsContact O-ND2 3.14Å; Y616-N669 PolarHBondContact O-OD1 2.91Å
617L98.7Very high95.4Very high10 Ų1053.9 Ų53.95%0.05226%0.262CS..THydrogen-bonded Turntrans-52.6122.6-174-172.360.3000111.4V477 F637 L641 I667 N669V477-L617 HydrophobicContact CG1-CD2 3.85Å; L617-F637 HydrophobicContact CD1-CE1 4.29Å; L617-F637 HydrophobicContact CD1-CZ 4.15Å; L617-F637 HydrophobicContact CD2-CZ 4.17Å; L617-F637 HydrophobicContact CG-CE1 4.24Å; L617-F637 HydrophobicContact CG-CZ 3.95Å; L617-L641 HydrophobicContact CB-CD1 4.23Å; L617-L641 HydrophobicContact CD2-CD1 4.23Å; L617-L641 HydrophobicContact CD2-CD2 3.94Å; L617-L641 HydrophobicContact CG-CD1 3.84Å; L617-L641 HydrophobicContact CG-CD2 4.47Å; L617-L641 VanDerWaalsContact O-CD1 3.22Å; L617-L641 WeakPolarHBondContact O-CD1 3.48Å; L617-I667 HydrophobicContact CB-CB 4.26Å; L617-I667 HydrophobicContact CB-CG2 4.08Å; L617-I667 HydrophobicContact CD2-CG2 4.21Å; L617-I667 PolarHBondContact N-O 3.29Å; L617-N669 VanDerWaalsContact CA-OD1 3.31Å; L617-N669 WeakPolarHBondContact CA-OD1 3.38Å
618G98.1Very high95.5Very high1 Ų159.6 Ų59.61%0.0129%0.287CS..THydrogen-bonded Turntrans90-4.4-178.300000115.1Y616 Y620 R638 N669Y616-G618 PolarHBondContact O-N 2.76Å; G618-Y620 WeakPolarHBondContact O-CD2 3.24Å; G618-R638 WeakPolarHBondContact O-CD 3.42Å; G618-R638 WeakPolarHBondContact O-CG 3.36Å; G618-R638 PolarHBondContact O-NH1 3.4Å; G618-N669 PolarHBondContact N-OD1 2.87Å
619M98.2Very high95.6Very high91 Ų9162.4 Ų62.445%0.44830%0.304SS..  trans-86.3106.8170.6-60.2179.665.800110L615 Y616 P621 N669L615-M619 HydrophobicContact CD2-CE 4.45Å; Y616-M619 HydrophobicContact CD2-SD 4.03Å; Y616-M619 HydrophobicContact CG-SD 4.48Å; Y616-M619 WeakPolarHBondContact O-CB 3.28Å; Y616-M619 WeakPolarHBondContact O-CG 3.3Å; Y616-M619 PolarHBondContact O-N 2.95Å; M619-P621 WeakPolarHBondContact O-CD 3.14Å; M619-N669 PolarHBondContact O-ND2 3.12Å
620Y98Very high95.8Very high27 Ų2759 Ų5911%0.10629%0.289CS..  trans-124.975.2-175.2-54-54.8000110.4P398 H399 F484 G618 D622 M634 F637 N669P398-Y620 HydrophobicContact CB-CD1 3.67Å; P398-Y620 HydrophobicContact CB-CE1 3.87Å; P398-Y620 HydrophobicContact CG-CD1 3.82Å; P398-Y620 HydrophobicContact CG-CE1 4.15Å; H399-Y620 AromaticContact CE1-CE1 3.83Å; H399-Y620 PolarHBondContact CE1-OH 3.32Å; H399-Y620 VanDerWaalsContact CE1-OH 3.3Å; H399-Y620 AromaticContact NE2-CE1 3.59Å; H399-Y620 AromaticContact NE2-CZ 3.67Å; H399-Y620 PolarHBondContact NE2-OH 3.44Å; F484-Y620 HydrophobicContact CE1-CE2 4.42Å; F484-Y620 HydrophobicContact CZ-CE2 4.26Å; G618-Y620 WeakPolarHBondContact O-CD2 3.24Å; Y620-D622 VanDerWaalsContact C-N 3.31Å; Y620-M634 HydrophobicContact CD2-CE 3.31Å; Y620-M634 HydrophobicContact CD2-CG 4.37Å; Y620-M634 HydrophobicContact CE2-CE 4.28Å; Y620-M634 HydrophobicContact CG-CE 3.77Å; Y620-F637 HydrophobicContact CE2-CD1 4.48Å; Y620-N669 WeakPolarHBondContact CE1-OD1 3.04Å
621P95.9Very high96.1Very high62 Ų6259 Ų5940%0.40329%0.29SS..  trans-72.3-24.3-176.830.3-36.2000113.4L615 M619 E623L615-P621 HydrophobicContact CD1-CG 3.78Å; L615-P621 HydrophobicContact CD2-CG 3.91Å; M619-P621 WeakPolarHBondContact O-CD 3.14Å; P621-E623 PolarHBondContact O-N 2.92Å
622D95.6Very high96.6Very high39 Ų3958.8 Ų58.821%0.20929%0.292CS..SBendtrans-84.197.6173.3-65.3-24.5000108.5F101 Y620 H624F101-D622 HydrophobicContact CD1-CB 3.66Å; F101-D622 WeakPolarHBondContact CD1-OD1 3.39Å; F101-D622 HydrophobicContact CD2-CB 4.13Å; F101-D622 HydrophobicContact CE1-CB 3.73Å; F101-D622 WeakPolarHBondContact CE1-OD1 3.34Å; F101-D622 HydrophobicContact CE2-CB 4.16Å; F101-D622 HydrophobicContact CG-CB 3.88Å; F101-D622 HydrophobicContact CZ-CB 4Å; Y620-D622 VanDerWaalsContact C-N 3.31Å; D622-H624 PolarHBondContact O-CD2 2.87Å; D622-H624 PolarHBondContact O-N 3.36Å
623E96.6Very high97.2Very high86 Ų8650.2 Ų50.240%0.40225%0.253SS..  trans-72.165.8-175.6-61.6-161.3-177.100112.7P621 F625 K631P621-E623 PolarHBondContact O-N 2.92Å; E623-F625 PolarHBondContact O-N 2.94Å; E623-K631 WeakPolarHBondContact OE2-CE 3.4Å; E623-K631 IonicContact OE2-NZ 2.7Å; E623-K631 PolarHBondContact OE2-NZ 3.36Å
624H98Very high97.8Very high22 Ų2244.8 Ų44.810%0.10222%0.223CC..  trans-62.5-33.6171.3-70.5-79.3000112.1F101 K394 I397 D622F101-H624 AromaticContact CD2-CE1 3.46Å; F101-H624 VanDerWaalsContact CD2-CE1 3.46Å; F101-H624 WeakPolarHBondContact CD2-CE1 3.42Å; F101-H624 AromaticContact CD2-ND1 3.7Å; F101-H624 AromaticContact CD2-NE2 3.74Å; F101-H624 AromaticContact CG-CE1 3.98Å; K394-H624 HydrophobicContact CB-CB 3.95Å; K394-H624 WeakPolarHBondContact CD-O 3.42Å; K394-H624 HydrophobicContact CG-CB 4.02Å; K394-H624 PolarHBondContact NZ-O 3.02Å; I397-H624 VanDerWaalsContact CG2-CD2 3.48Å; I397-H624 WeakPolarHBondContact CG2-CD2 3.44Å; I397-H624 WeakPolarHBondContact CG2-NE2 3.49Å; D622-H624 PolarHBondContact O-CD2 2.87Å; D622-H624 PolarHBondContact O-N 3.36Å
625F98.3Very high98Very high11 Ų1144.7 Ų44.75%0.04823%0.228CC..  trans-96.6119.9171.1-77.7-61.5000110.6A117 P391 K394 L395 V488 Y492 E623 V630 K631A117-F625 HydrophobicContact CB-CD1 4.43Å; A117-F625 HydrophobicContact CB-CE1 3.97Å; P391-F625 HydrophobicContact CB-CE1 4.26Å; P391-F625 HydrophobicContact CB-CZ 4.37Å; P391-F625 VanDerWaalsContact O-CZ 3.25Å; P391-F625 WeakPolarHBondContact O-CZ 3.48Å; K394-F625 HydrophobicContact CB-CD1 4.1Å; K394-F625 HydrophobicContact CB-CD2 3.97Å; K394-F625 HydrophobicContact CB-CE1 3.8Å; K394-F625 HydrophobicContact CB-CE2 3.66Å; K394-F625 HydrophobicContact CB-CG 4.2Å; K394-F625 HydrophobicContact CB-CZ 3.58Å; K394-F625 HydrophobicContact CD-CD1 3.74Å; K394-F625 HydrophobicContact CD-CE1 3.75Å; K394-F625 HydrophobicContact CD-CG 4.39Å; K394-F625 HydrophobicContact CD-CZ 4.4Å; K394-F625 HydrophobicContact CG-CE1 4.44Å; L395-F625 HydrophobicContact CB-CE2 4.14Å; L395-F625 HydrophobicContact CB-CZ 4.36Å; V488-F625 HydrophobicContact CG1-CZ 4.19Å; Y492-F625 HydrophobicContact CE2-CD1 4.5Å; Y492-F625 AromaticContact CE2-CE1 3.69Å; Y492-F625 HydrophobicContact CE2-CE1 3.69Å; Y492-F625 HydrophobicContact CE2-CZ 4.24Å; Y492-F625 AromaticContact CZ-CE1 3.78Å; Y492-F625 WeakPolarHBondContact OH-CD1 3.33Å; Y492-F625 WeakPolarHBondContact OH-CE1 3.24Å; E623-F625 PolarHBondContact O-N 2.94Å; F625-V630 HydrophobicContact CB-CG1 3.7Å; F625-V630 HydrophobicContact CB-CG2 4.17Å; F625-V630 HydrophobicContact CD1-CB 4.34Å; F625-V630 HydrophobicContact CD1-CG1 3.75Å; F625-V630 HydrophobicContact CD1-CG2 3.92Å; F625-V630 HydrophobicContact CD2-CG2 3.71Å; F625-V630 HydrophobicContact CE1-CG2 4.14Å; F625-V630 HydrophobicContact CE2-CG2 3.93Å; F625-V630 HydrophobicContact CG-CB 4.39Å; F625-V630 HydrophobicContact CG-CG1 3.83Å; F625-V630 HydrophobicContact CG-CG2 3.69Å; F625-V630 HydrophobicContact CZ-CG2 4.13Å; F625-K631 WeakPolarHBondContact O-CE 3.26Å
626I97.4Very high98.1Very high41 Ų4146.7 Ų46.721%0.2124%0.235CC..  trans-103.3-15.6177.165.8170.5000112.9E97 P99E97-I626 HydrophobicContact CB-CD1 4.19Å; E97-I626 HydrophobicContact CB-CG2 4.43Å; E97-I626 HydrophobicContact CG-CG2 4.15Å; P99-I626 HydrophobicContact CG-CG2 4.16Å
627E98.4Very high98.1Very high49 Ų4944 Ų4423%0.22922%0.224CC..  trans-76.6141.9-169.9-63.3164.810000112.5R116 A117 Y492 V630 K631R116-E627 HydrophobicContact CB-CG 4.36Å; R116-E627 HydrophobicContact CG-CG 4.08Å; A117-E627 PolarHBondContact N-OE2 2.76Å; Y492-E627 WeakPolarHBondContact CE1-OE2 3.41Å; Y492-E627 PolarHBondContact OH-OE2 3.2Å; E627-V630 HydrophobicContact CB-CG1 3.93Å; E627-V630 WeakPolarHBondContact O-CG1 3.41Å; E627-K631 WeakPolarHBondContact O-CG 3.37Å; E627-K631 PolarHBondContact O-N 3.36Å; E627-K631 VanDerWaalsContact O-N 3.11Å
628K98.4Very high98.1Very high136 Ų13648.9 Ų48.959%0.59124%0.242SC*.Hα-helixtrans-60.9-46.5-175.4-177.756.2173.1160.40114V630 K631 D632K628-V630 PolarHBondContact O-N 2.84Å; K628-K631 PolarHBondContact O-N 2.77Å; K628-D632 VanDerWaalsContact CE-OD1 3.27Å; K628-D632 WeakPolarHBondContact CE-OD1 3.19Å; K628-D632 WeakPolarHBondContact CE-OD2 3.39Å; K628-D632 IonicContact NZ-OD1 2.79Å; K628-D632 PolarHBondContact NZ-OD1 3.44Å; K628-D632 IonicContact NZ-OD2 3.16Å; K628-D632 PolarHBondContact O-N 2.75Å
629P98.8Very high98.2Very high72 Ų7255.9 Ų55.947%0.46827%0.273SS..Hα-helixtrans-59-42.6-177.7-26.136.3000113.5I491 D632 A633I491-P629 HydrophobicContact CD1-CB 3.81Å; I491-P629 HydrophobicContact CG1-CB 4.06Å; I491-P629 HydrophobicContact CG2-CB 4.31Å; P629-D632 PolarHBondContact O-N 3.06Å; P629-A633 PolarHBondContact O-N 3.07Å
630V98.7Very high98.2Very high0 Ų053.8 Ų53.80%026%0.262CS..Hα-helixtrans-73.3-35.9178.659.20000111.8V488 I491 F625 E627 K628 D632 A633 M634V488-V630 HydrophobicContact CG2-CG2 4.14Å; I491-V630 HydrophobicContact CD1-CB 4.1Å; F625-V630 HydrophobicContact CB-CG1 3.7Å; F625-V630 HydrophobicContact CB-CG2 4.17Å; F625-V630 HydrophobicContact CD1-CB 4.34Å; F625-V630 HydrophobicContact CD1-CG1 3.75Å; F625-V630 HydrophobicContact CD1-CG2 3.92Å; F625-V630 HydrophobicContact CD2-CG2 3.71Å; F625-V630 HydrophobicContact CE1-CG2 4.14Å; F625-V630 HydrophobicContact CE2-CG2 3.93Å; F625-V630 HydrophobicContact CG-CB 4.39Å; F625-V630 HydrophobicContact CG-CG1 3.83Å; F625-V630 HydrophobicContact CG-CG2 3.69Å; F625-V630 HydrophobicContact CZ-CG2 4.13Å; E627-V630 HydrophobicContact CB-CG1 3.93Å; E627-V630 WeakPolarHBondContact O-CG1 3.41Å; K628-V630 PolarHBondContact O-N 2.84Å; V630-D632 PolarHBondContact O-N 2.93Å; V630-A633 WeakPolarHBondContact O-CB 3.42Å; V630-A633 PolarHBondContact O-N 3.33Å; V630-M634 HydrophobicContact CG2-SD 4.31Å; V630-M634 VanDerWaalsContact O-CG 3.25Å; V630-M634 WeakPolarHBondContact O-CG 3.47Å; V630-M634 PolarHBondContact O-N 2.92Å
631K98.7Very high98.2Very high67 Ų6752.8 Ų52.829%0.29126%0.258SS..Hα-helixtrans-61.3-35171.3-75.9-174.7172.6-176.70112E623 F625 E627 K628 G635E623-K631 WeakPolarHBondContact OE2-CE 3.4Å; E623-K631 IonicContact OE2-NZ 2.7Å; E623-K631 PolarHBondContact OE2-NZ 3.36Å; F625-K631 WeakPolarHBondContact O-CE 3.26Å; E627-K631 WeakPolarHBondContact O-CG 3.37Å; E627-K631 PolarHBondContact O-N 3.36Å; E627-K631 VanDerWaalsContact O-N 3.11Å; K628-K631 PolarHBondContact O-N 2.77Å; K631-G635 PolarHBondContact O-N 3.28Å
632D98.8Very high98.4Very high81 Ų8152.1 Ų52.143%0.43326%0.257SS..Hα-helixtrans-70-41.3174.3-70.5-24000111.9K628 P629 V630 G635 K636K628-D632 VanDerWaalsContact CE-OD1 3.27Å; K628-D632 WeakPolarHBondContact CE-OD1 3.19Å; K628-D632 WeakPolarHBondContact CE-OD2 3.39Å; K628-D632 IonicContact NZ-OD1 2.79Å; K628-D632 PolarHBondContact NZ-OD1 3.44Å; K628-D632 IonicContact NZ-OD2 3.16Å; K628-D632 PolarHBondContact O-N 2.75Å; P629-D632 PolarHBondContact O-N 3.06Å; V630-D632 PolarHBondContact O-N 2.93Å; D632-G635 CarbonylContact O-C 3.59Å; D632-G635 WeakPolarHBondContact O-CA 3.44Å; D632-G635 PolarHBondContact O-N 3.15Å; D632-G635 VanDerWaalsContact O-N 3.11Å; D632-K636 PolarHBondContact O-N 2.78Å
633A98.9Very high98.5Very high7 Ų755.6 Ų55.66%0.05827%0.272CS..Hα-helixtrans-59.9-4517200000112.1D487 V488 P629 V630 G635 K636 F637D487-A633 HydrophobicContact CB-CB 3.87Å; V488-A633 HydrophobicContact CG2-CB 4.49Å; P629-A633 PolarHBondContact O-N 3.07Å; V630-A633 WeakPolarHBondContact O-CB 3.42Å; V630-A633 PolarHBondContact O-N 3.33Å; A633-G635 VanDerWaalsContact C-N 3.26Å; A633-G635 PolarHBondContact O-N 2.93Å; A633-K636 PolarHBondContact O-N 2.74Å; A633-F637 PolarHBondContact O-N 3.4Å
634M98.8Very high98.6Very high21 Ų2152.2 Ų52.210%0.10326%0.257CS..Hα-helixtrans-60.7-36.9173.1-64.6160.782.600111.6F484 Y620 V630 R638F484-M634 HydrophobicContact CE2-CB 4.38Å; F484-M634 HydrophobicContact CE2-CG 3.77Å; F484-M634 HydrophobicContact CZ-CG 4Å; Y620-M634 HydrophobicContact CD2-CE 3.31Å; Y620-M634 HydrophobicContact CD2-CG 4.37Å; Y620-M634 HydrophobicContact CE2-CE 4.28Å; Y620-M634 HydrophobicContact CG-CE 3.77Å; V630-M634 HydrophobicContact CG2-SD 4.31Å; V630-M634 VanDerWaalsContact O-CG 3.25Å; V630-M634 WeakPolarHBondContact O-CG 3.47Å; V630-M634 PolarHBondContact O-N 2.92Å; M634-R638 WeakPolarHBondContact O-CG 3.09Å; M634-R638 PolarHBondContact O-N 3.46Å
635G98.8Very high98.7Very high19 Ų1951.8 Ų51.820%0.19626%0.256CS..Hα-helixtrans-66.2-40175.200000113.4K631 D632 A633 K639K631-G635 PolarHBondContact O-N 3.28Å; D632-G635 CarbonylContact O-C 3.59Å; D632-G635 WeakPolarHBondContact O-CA 3.44Å; D632-G635 PolarHBondContact O-N 3.15Å; D632-G635 VanDerWaalsContact O-N 3.11Å; A633-G635 VanDerWaalsContact C-N 3.26Å; A633-G635 PolarHBondContact O-N 2.93Å; G635-K639 WeakPolarHBondContact O-CG 3.38Å; G635-K639 PolarHBondContact O-N 3.02Å
636K98.8Very high98.7Very high80 Ų8058.2 Ų58.235%0.34828%0.28SS..Hα-helixtrans-64-48.6172.7178.5-175.4160-157.20110.7S483 D487 D632 A633 R638 K639 E640S483-K636 PolarHBondContact OG-NZ 2.9Å; D487-K636 IonicContact OD1-NZ 2.69Å; D487-K636 PolarHBondContact OD1-NZ 2.76Å; D487-K636 WeakPolarHBondContact OD2-CD 3.36Å; D487-K636 IonicContact OD2-NZ 3.88Å; D487-K636 PolarHBondContact OD2-NZ 2.84Å; D632-K636 PolarHBondContact O-N 2.78Å; A633-K636 PolarHBondContact O-N 2.74Å; K636-R638 PolarHBondContact O-N 3.23Å; K636-K639 WeakPolarHBondContact O-CB 3.45Å; K636-K639 PolarHBondContact O-N 3.2Å; K636-E640 WeakPolarHBondContact CE-OE1 3.38Å; K636-E640 PolarHBondContact O-N 3.38Å
637F98.9Very high98.7Very high1 Ų158.4 Ų58.40%0.00429%0.285CS..Hα-helixtrans-55-48.1177.7-178.3-136.1000112.3A480 F484 L617 Y620 A633 K639 E640 L641A480-F637 HydrophobicContact CB-CD2 4.41Å; A480-F637 HydrophobicContact CB-CE2 4.12Å; F484-F637 HydrophobicContact CB-CB 3.88Å; F484-F637 HydrophobicContact CB-CD1 4.2Å; F484-F637 HydrophobicContact CB-CD2 3.6Å; F484-F637 HydrophobicContact CB-CE2 4.13Å; F484-F637 HydrophobicContact CB-CG 3.64Å; F484-F637 AromaticContact CD1-CD1 3.73Å; F484-F637 HydrophobicContact CD1-CD1 3.73Å; F484-F637 AromaticContact CD1-CE1 3.89Å; F484-F637 HydrophobicContact CD1-CE1 3.89Å; F484-F637 HydrophobicContact CD1-CG 4.07Å; F484-F637 HydrophobicContact CD1-CZ 4.35Å; F484-F637 HydrophobicContact CD2-CB 3.72Å; F484-F637 HydrophobicContact CD2-CD1 4.2Å; F484-F637 HydrophobicContact CD2-CG 4.05Å; F484-F637 HydrophobicContact CE1-CD1 4.14Å; F484-F637 HydrophobicContact CE1-CE1 4.32Å; F484-F637 HydrophobicContact CE2-CB 4.47Å; F484-F637 HydrophobicContact CG-CB 3.82Å; F484-F637 AromaticContact CG-CD1 3.77Å; F484-F637 HydrophobicContact CG-CD1 3.77Å; F484-F637 HydrophobicContact CG-CD2 4.1Å; F484-F637 HydrophobicContact CG-CE1 4.32Å; F484-F637 AromaticContact CG-CG 3.64Å; F484-F637 HydrophobicContact CG-CG 3.64Å; L617-F637 HydrophobicContact CD1-CE1 4.29Å; L617-F637 HydrophobicContact CD1-CZ 4.15Å; L617-F637 HydrophobicContact CD2-CZ 4.17Å; L617-F637 HydrophobicContact CG-CE1 4.24Å; L617-F637 HydrophobicContact CG-CZ 3.95Å; Y620-F637 HydrophobicContact CE2-CD1 4.48Å; A633-F637 PolarHBondContact O-N 3.4Å; F637-K639 VanDerWaalsContact C-N 3.27Å; F637-K639 PolarHBondContact O-N 2.9Å; F637-E640 PolarHBondContact O-N 2.97Å; F637-L641 HydrophobicContact CD1-CD1 4.11Å; F637-L641 HydrophobicContact CD2-CD1 4.25Å; F637-L641 HydrophobicContact CD2-CD2 4.36Å; F637-L641 HydrophobicContact CD2-CG 4.03Å; F637-L641 HydrophobicContact CE1-CD1 3.75Å; F637-L641 HydrophobicContact CE2-CD1 3.89Å; F637-L641 HydrophobicContact CE2-CD2 3.68Å; F637-L641 HydrophobicContact CE2-CG 3.76Å; F637-L641 HydrophobicContact CG-CD1 4.36Å; F637-L641 HydrophobicContact CZ-CD1 3.64Å; F637-L641 HydrophobicContact CZ-CD2 3.99Å; F637-L641 HydrophobicContact CZ-CG 4.04Å; F637-L641 WeakPolarHBondContact O-CG 3.39Å; F637-L641 PolarHBondContact O-N 2.76Å
638R98.9Very high98.7Very high114 Ų11456 Ų5643%0.4327%0.274SS..Hα-helixtrans-58.5-35.6175.9-76-172.5-67.9-90.50.4113.6G618 M634 K636 A642G618-R638 WeakPolarHBondContact O-CD 3.42Å; G618-R638 WeakPolarHBondContact O-CG 3.36Å; G618-R638 PolarHBondContact O-NH1 3.4Å; M634-R638 WeakPolarHBondContact O-CG 3.09Å; M634-R638 PolarHBondContact O-N 3.46Å; K636-R638 PolarHBondContact O-N 3.23Å; R638-A642 WeakPolarHBondContact O-CB 3.49Å; R638-A642 PolarHBondContact O-N 2.98Å
639K98.8Very high98.7Very high148 Ų14854 Ų5464%0.64327%0.265SS*.Hα-helixtrans-68.3-44177.1-71172.6-177.7177.90111.3G635 K636 F637 A642 E643G635-K639 WeakPolarHBondContact O-CG 3.38Å; G635-K639 PolarHBondContact O-N 3.02Å; K636-K639 WeakPolarHBondContact O-CB 3.45Å; K636-K639 PolarHBondContact O-N 3.2Å; F637-K639 VanDerWaalsContact C-N 3.27Å; F637-K639 PolarHBondContact O-N 2.9Å; K639-A642 PolarHBondContact O-N 2.82Å; K639-E643 PolarHBondContact O-N 2.94Å
640E98.8Very high98.7Very high47 Ų4758.9 Ų58.922%0.2227%0.274CS..Hα-helixtrans-61.6-45.5176.1-68.7175.2-176.500111.3A480 K636 F637 A642 E643 I644A480-E640 HydrophobicContact CB-CB 4.39Å; K636-E640 WeakPolarHBondContact CE-OE1 3.38Å; K636-E640 PolarHBondContact O-N 3.38Å; F637-E640 PolarHBondContact O-N 2.97Å; E640-A642 VanDerWaalsContact C-N 3.31Å; E640-A642 PolarHBondContact O-N 2.93Å; E640-E643 WeakPolarHBondContact O-CB 3.41Å; E640-E643 PolarHBondContact O-N 3.02Å; E640-E643 VanDerWaalsContact O-N 3.1Å; E640-I644 WeakPolarHBondContact O-CG1 3.44Å; E640-I644 PolarHBondContact O-N 3.08Å
641L98.9Very high98.6Very high6 Ų661.4 Ų61.43%0.03128%0.284CS..Hα-helixtrans-60.1-39.3174.8-66.5-179.6000112.6A480 L617 F637 E643 I644 T645 P664A480-L641 HydrophobicContact CB-CD2 4.37Å; L617-L641 HydrophobicContact CB-CD1 4.23Å; L617-L641 HydrophobicContact CD2-CD1 4.23Å; L617-L641 HydrophobicContact CD2-CD2 3.94Å; L617-L641 HydrophobicContact CG-CD1 3.84Å; L617-L641 HydrophobicContact CG-CD2 4.47Å; L617-L641 VanDerWaalsContact O-CD1 3.22Å; L617-L641 WeakPolarHBondContact O-CD1 3.48Å; F637-L641 HydrophobicContact CD1-CD1 4.11Å; F637-L641 HydrophobicContact CD2-CD1 4.25Å; F637-L641 HydrophobicContact CD2-CD2 4.36Å; F637-L641 HydrophobicContact CD2-CG 4.03Å; F637-L641 HydrophobicContact CE1-CD1 3.75Å; F637-L641 HydrophobicContact CE2-CD1 3.89Å; F637-L641 HydrophobicContact CE2-CD2 3.68Å; F637-L641 HydrophobicContact CE2-CG 3.76Å; F637-L641 HydrophobicContact CG-CD1 4.36Å; F637-L641 HydrophobicContact CZ-CD1 3.64Å; F637-L641 HydrophobicContact CZ-CD2 3.99Å; F637-L641 HydrophobicContact CZ-CG 4.04Å; F637-L641 WeakPolarHBondContact O-CG 3.39Å; F637-L641 PolarHBondContact O-N 2.76Å; L641-E643 VanDerWaalsContact C-N 3.33Å; L641-E643 PolarHBondContact O-N 3.04Å; L641-I644 PolarHBondContact O-N 3.42Å; L641-T645 WeakPolarHBondContact O-CB 3.45Å; L641-T645 PolarHBondContact O-N 3.24Å; L641-T645 PolarHBondContact O-OG1 3.23Å; L641-P664 HydrophobicContact CB-CB 3.83Å; L641-P664 HydrophobicContact CB-CG 4.23Å; L641-P664 HydrophobicContact CD2-CB 3.99Å; L641-P664 HydrophobicContact CD2-CG 3.96Å; L641-P664 HydrophobicContact CG-CB 4.34Å
642A98.8Very high98.5Very high47 Ų4758.4 Ų58.439%0.38827%0.271SS..Hα-helixtrans-67.6-32.6175.700000112.5R638 K639 E640 R646R638-A642 WeakPolarHBondContact O-CB 3.49Å; R638-A642 PolarHBondContact O-N 2.98Å; K639-A642 PolarHBondContact O-N 2.82Å; E640-A642 VanDerWaalsContact C-N 3.31Å; E640-A642 PolarHBondContact O-N 2.93Å; A642-R646 WeakPolarHBondContact O-CG 3.32Å; A642-R646 PolarHBondContact O-N 3.37Å; A642-R646 VanDerWaalsContact O-N 3.09Å; A642-R646 PolarHBondContact O-NE 3.43Å
643E98.8Very high98.3Very high112 Ų11260.5 Ų60.552%0.52328%0.278SS..Hα-helixtrans-67.7-45.2172.2-77.2173.2-172.100112.1K639 E640 L641 T645 R646 S647K639-E643 PolarHBondContact O-N 2.94Å; E640-E643 WeakPolarHBondContact O-CB 3.41Å; E640-E643 PolarHBondContact O-N 3.02Å; E640-E643 VanDerWaalsContact O-N 3.1Å; L641-E643 VanDerWaalsContact C-N 3.33Å; L641-E643 PolarHBondContact O-N 3.04Å; E643-T645 VanDerWaalsContact C-N 3.34Å; E643-T645 PolarHBondContact O-N 2.78Å; E643-R646 PolarHBondContact O-N 3.36Å; E643-R646 IonicContact OE1-NH2 3.55Å; E643-S647 PolarHBondContact O-N 3.49Å
644I98.8Very high97.8Very high16 Ų1669.8 Ų69.88%0.08232%0.32CS..Hα-helixtrans-59.4-46.9175-65167.2000110.2K476 V477 A480 E640 L641 R646 S647 I648 P664K476-I644 HydrophobicContact CB-CD1 3.98Å; K476-I644 HydrophobicContact CB-CG1 4.06Å; K476-I644 HydrophobicContact CB-CG2 4.19Å; K476-I644 HydrophobicContact CD-CG2 4.43Å; K476-I644 WeakPolarHBondContact O-CD1 3.24Å; V477-I644 HydrophobicContact CG2-CD1 4.48Å; V477-I644 HydrophobicContact CG2-CG2 4.1Å; A480-I644 HydrophobicContact CB-CD1 3.78Å; E640-I644 WeakPolarHBondContact O-CG1 3.44Å; E640-I644 PolarHBondContact O-N 3.08Å; L641-I644 PolarHBondContact O-N 3.42Å; I644-R646 VanDerWaalsContact C-N 3.33Å; I644-R646 PolarHBondContact O-N 2.75Å; I644-S647 WeakPolarHBondContact O-CB 3.49Å; I644-S647 PolarHBondContact O-N 2.78Å; I644-S647 VanDerWaalsContact O-N 3.09Å; I644-I648 HydrophobicContact CG2-CD1 3.78Å; I644-I648 HydrophobicContact CG2-CG1 4.41Å; I644-I648 WeakPolarHBondContact O-CG1 3.48Å; I644-I648 PolarHBondContact O-N 2.83Å; I644-P664 HydrophobicContact CB-CG 4.08Å; I644-P664 HydrophobicContact CG2-CG 3.89Å
645T98.8Very high97.3Very high13 Ų1372.8 Ų72.88%0.0833%0.333CS..Hα-helixtrans-55.2-46.9175.7-600000111.6L641 E643 S647 I648 K649 P664 D665L641-T645 WeakPolarHBondContact O-CB 3.45Å; L641-T645 PolarHBondContact O-N 3.24Å; L641-T645 PolarHBondContact O-OG1 3.23Å; E643-T645 VanDerWaalsContact C-N 3.34Å; E643-T645 PolarHBondContact O-N 2.78Å; T645-S647 VanDerWaalsContact C-N 3.35Å; T645-S647 PolarHBondContact O-N 3.31Å; T645-I648 PolarHBondContact O-N 3.47Å; T645-K649 HydrophobicContact CG2-CD 4.12Å; T645-K649 WeakPolarHBondContact O-CB 3.47Å; T645-K649 WeakPolarHBondContact O-CG 3.45Å; T645-K649 PolarHBondContact O-N 3.12Å; T645-P664 WeakPolarHBondContact OG1-CD 3.25Å; T645-D665 HydrophobicContact CG2-CB 4.14Å; T645-D665 VanDerWaalsContact CG2-CG 3.49Å; T645-D665 WeakPolarHBondContact CG2-OD2 3.43Å
646R98.6Very high96.7Very high145 Ų14579.8 Ų79.855%0.54736%0.358SS..Hα-helixtrans-64-39.1177-75.3-176.6-69.1167.7-2.1112.2A642 E643 I644 R650A642-R646 WeakPolarHBondContact O-CG 3.32Å; A642-R646 PolarHBondContact O-N 3.37Å; A642-R646 VanDerWaalsContact O-N 3.09Å; A642-R646 PolarHBondContact O-NE 3.43Å; E643-R646 PolarHBondContact O-N 3.36Å; E643-R646 IonicContact OE1-NH2 3.55Å; I644-R646 VanDerWaalsContact C-N 3.33Å; I644-R646 PolarHBondContact O-N 2.75Å; R646-R650 WeakPolarHBondContact O-CB 3.23Å; R646-R650 PolarHBondContact O-N 3.23Å
647S98.4Very high96.5Very high45 Ų4576.6 Ų76.632%0.31534%0.344SS..Hα-helixtrans-63.4-45.3176178.10000111.7K476 E643 I644 T645 R650 R651K476-S647 PolarHBondContact NZ-OG 3.2Å; K476-S647 VanDerWaalsContact NZ-OG 3.13Å; E643-S647 PolarHBondContact O-N 3.49Å; I644-S647 WeakPolarHBondContact O-CB 3.49Å; I644-S647 PolarHBondContact O-N 2.78Å; I644-S647 VanDerWaalsContact O-N 3.09Å; T645-S647 VanDerWaalsContact C-N 3.35Å; T645-S647 PolarHBondContact O-N 3.31Å; S647-R650 PolarHBondContact O-N 3.39Å; S647-R651 WeakPolarHBondContact O-CB 3.48Å; S647-R651 PolarHBondContact O-N 2.93Å
648I98.5Very high96.3Very high0 Ų077.8 Ų77.80%035%0.352CS..Hα-helixtrans-63.3-47178.1-74.9171.8000110.9D473 I644 T645 R650 R651 N652 Y660 M662D473-I648 HydrophobicContact CB-CD1 3.95Å; D473-I648 WeakPolarHBondContact OD1-CG1 3.27Å; I644-I648 HydrophobicContact CG2-CD1 3.78Å; I644-I648 HydrophobicContact CG2-CG1 4.41Å; I644-I648 WeakPolarHBondContact O-CG1 3.48Å; I644-I648 PolarHBondContact O-N 2.83Å; T645-I648 PolarHBondContact O-N 3.47Å; I648-R650 PolarHBondContact O-N 3.02Å; I648-R651 PolarHBondContact O-N 2.73Å; I648-N652 VanDerWaalsContact O-CB 3.3Å; I648-N652 WeakPolarHBondContact O-CB 3.34Å; I648-N652 VanDerWaalsContact O-CG 3.28Å; I648-N652 PolarHBondContact O-N 3.02Å; I648-Y660 HydrophobicContact CG2-CD1 4.29Å; I648-M662 WeakPolarHBondContact CD1-O 3.24Å
649K98.1Very high96.3Very high93 Ų9372.6 Ų72.640%0.40433%0.333SS..Hα-helixtrans-56.5-49.8175.8-74.9176.2-177.4173.20110.9T645 R651 N652 E653 D665T645-K649 HydrophobicContact CG2-CD 4.12Å; T645-K649 WeakPolarHBondContact O-CB 3.47Å; T645-K649 WeakPolarHBondContact O-CG 3.45Å; T645-K649 PolarHBondContact O-N 3.12Å; K649-R651 PolarHBondContact O-N 2.64Å; K649-N652 CarbonylContact O-C 3.48Å; K649-N652 PolarHBondContact O-N 3.02Å; K649-N652 VanDerWaalsContact O-N 3.11Å; K649-E653 WeakPolarHBondContact O-CG 3.38Å; K649-E653 PolarHBondContact O-N 3.36Å; K649-D665 WeakPolarHBondContact CE-OD2 3.3Å; K649-D665 IonicContact NZ-OD2 3.98Å; K649-D665 PolarHBondContact NZ-OD2 2.89Å
650R97.9Very high96.2Very high175 Ų17569 Ų6966%0.6632%0.316SS*.Hα-helixtrans-61.1-42.2177.9-167.1-174.7-52.1165.66.6113.3R646 S647 I648 N652 E653R646-R650 WeakPolarHBondContact O-CB 3.23Å; R646-R650 PolarHBondContact O-N 3.23Å; S647-R650 PolarHBondContact O-N 3.39Å; I648-R650 PolarHBondContact O-N 3.02Å; R650-N652 VanDerWaalsContact C-N 3.28Å; R650-N652 PolarHBondContact O-N 2.69Å; R650-E653 WeakPolarHBondContact O-CB 2.87Å; R650-E653 PolarHBondContact O-N 3.36Å
651R96.7Very high96.1Very high52 Ų5267.4 Ų67.420%0.19631%0.308CS..Hα-helixtrans-63.3-38.1175.7-178.8-148.554.9-150.3-11.3111.3D473 S647 I648 K649 E653 K655 Y659D473-R651 IonicContact OD1-CZ 2.81Å; D473-R651 IonicContact OD1-NH1 3.7Å; D473-R651 PolarHBondContact OD1-NH1 2.86Å; D473-R651 IonicContact OD1-NH2 3.78Å; D473-R651 IonicContact OD2-CZ 2.66Å; D473-R651 VanDerWaalsContact OD2-CZ 3.24Å; D473-R651 IonicContact OD2-NH1 3.31Å; D473-R651 PolarHBondContact OD2-NH1 3.31Å; D473-R651 IonicContact OD2-NH2 2.88Å; D473-R651 PolarHBondContact OD2-NH2 3.38Å; S647-R651 WeakPolarHBondContact O-CB 3.48Å; S647-R651 PolarHBondContact O-N 2.93Å; I648-R651 PolarHBondContact O-N 2.73Å; K649-R651 PolarHBondContact O-N 2.64Å; R651-E653 VanDerWaalsContact C-N 3.33Å; R651-K655 WeakPolarHBondContact O-CE 3.47Å; R651-Y659 PolarHBondContact NH2-O 2.79Å
652N97.3Very high96.1Very high4 Ų467.1 Ų67.12%0.02131%0.307CS..Hα-helixtrans-80.5-12.4-177.6-74.3-10.5000113.7I648 K649 R650 E654 K655 P658 Y659 Y660I648-N652 VanDerWaalsContact O-CB 3.3Å; I648-N652 WeakPolarHBondContact O-CB 3.34Å; I648-N652 VanDerWaalsContact O-CG 3.28Å; I648-N652 PolarHBondContact O-N 3.02Å; K649-N652 CarbonylContact O-C 3.48Å; K649-N652 PolarHBondContact O-N 3.02Å; K649-N652 VanDerWaalsContact O-N 3.11Å; R650-N652 VanDerWaalsContact C-N 3.28Å; R650-N652 PolarHBondContact O-N 2.69Å; N652-E654 PolarHBondContact O-N 2.9Å; N652-K655 PolarHBondContact O-N 3.37Å; N652-P658 HydrophobicContact CB-CB 3.72Å; N652-Y659 PolarHBondContact ND2-N 2.78Å; N652-Y659 PolarHBondContact ND2-O 2.64Å; N652-Y659 PolarHBondContact OD1-N 2.97Å; N652-Y660 HydrophobicContact CB-CE1 4.01Å; N652-Y660 VanDerWaalsContact ND2-CD1 3.29Å; N652-Y660 WeakPolarHBondContact ND2-CD1 3.33Å; N652-Y660 WeakPolarHBondContact ND2-CE1 3.39Å
653E94.6Very high96.1Very high125 Ų12564.9 Ų64.958%0.58429%0.288SS*.THydrogen-bonded Turntrans-51.7134.8170.1-75.4163.6-162.300109.5K649 R650 R651 K655K649-E653 WeakPolarHBondContact O-CG 3.38Å; K649-E653 PolarHBondContact O-N 3.36Å; R650-E653 WeakPolarHBondContact O-CB 2.87Å; R650-E653 PolarHBondContact O-N 3.36Å; R651-E653 VanDerWaalsContact C-N 3.33Å; E653-K655 PolarHBondContact O-N 2.97Å
654E86.9Confident96.1Very high202 Ų20259.8 Ų59.894%0.94427%0.265SS*.THydrogen-bonded Turntrans63.6-0.4179-50.2-178.2164.800116.5N652N652-E654 PolarHBondContact O-N 2.9Å
655K89.5Confident96Very high84 Ų8461.8 Ų61.837%0.36528%0.276SS..  trans-75.5131.5173.2-66.9-163.2-177.5-50.80111F469 R651 N652 E653 L657F469-K655 HydrophobicContact CE2-CD 4.28Å; F469-K655 HydrophobicContact CZ-CD 4.25Å; R651-K655 WeakPolarHBondContact O-CE 3.47Å; N652-K655 PolarHBondContact O-N 3.37Å; E653-K655 PolarHBondContact O-N 2.97Å; K655-L657 VanDerWaalsContact C-N 3.3Å; K655-L657 PolarHBondContact O-N 2.88Å
656K86.6Confident96Very high167 Ų16764.9 Ų64.973%0.72629%0.288SS*.SBendtrans-64.7-34.7172-63.7-172.2179.5-174.20112.8Y222Y222-K656 HydrophobicContact CE2-CB 3.87Å; Y222-K656 HydrophobicContact CE2-CD 4.14Å
657L93.6Very high96Very high13 Ų1358 Ų587%0.06826%0.262CS..SBendtrans-121.785.6174.9-76.6174.8000109I219 Y222 M232 Y235 W560 K655I219-L657 HydrophobicContact CG1-CD2 4.41Å; I219-L657 HydrophobicContact CG2-CD2 4.05Å; Y222-L657 HydrophobicContact CD1-CD1 3.61Å; Y222-L657 HydrophobicContact CD1-CD2 3.61Å; Y222-L657 HydrophobicContact CD1-CG 3.67Å; Y222-L657 HydrophobicContact CD2-CD2 4.48Å; Y222-L657 HydrophobicContact CD2-CG 4.46Å; Y222-L657 HydrophobicContact CE1-CD1 3.42Å; Y222-L657 VanDerWaalsContact CE1-CD1 3.42Å; Y222-L657 HydrophobicContact CE1-CD2 4.23Å; Y222-L657 HydrophobicContact CE1-CG 3.75Å; Y222-L657 HydrophobicContact CG-CD1 4.47Å; Y222-L657 HydrophobicContact CG-CD2 3.76Å; Y222-L657 HydrophobicContact CG-CG 4.05Å; M232-L657 HydrophobicContact CE-CD1 4.04Å; M232-L657 HydrophobicContact SD-CD1 3.74Å; Y235-L657 HydrophobicContact CD1-CD1 4.17Å; Y235-L657 HydrophobicContact CE1-CB 4.27Å; Y235-L657 HydrophobicContact CE1-CD1 3.95Å; Y235-L657 PolarHBondContact OH-O 3.27Å; W560-L657 HydrophobicContact CH2-CD1 4.32Å; W560-L657 HydrophobicContact CH2-CD2 4.37Å; K655-L657 VanDerWaalsContact C-N 3.3Å; K655-L657 PolarHBondContact O-N 2.88Å
658P96.1Very high96Very high25 Ų2555.9 Ų55.916%0.16225%0.248CC..  trans-72.9146.1175.732.2-35.6000110.8N652 Y660N652-P658 HydrophobicContact CB-CB 3.72Å; P658-Y660 HydrophobicContact CB-CD2 3.96Å; P658-Y660 HydrophobicContact CB-CE2 3.36Å; P658-Y660 HydrophobicContact CG-CD2 3.98Å; P658-Y660 HydrophobicContact CG-CE2 3.37Å
659Y97.9Very high96Very high6 Ų656.1 Ų56.12%0.02425%0.249CC..  trans-105.7109.8176.2-178.1-98.4000110.2N239 F469 Y470 D473 R651 N652 N661 M662N239-Y659 HydrophobicContact CB-CD2 4.18Å; F469-Y659 HydrophobicContact CB-CD1 3.72Å; F469-Y659 HydrophobicContact CB-CG 3.82Å; Y470-Y659 WeakPolarHBondContact CD2-OH 3.42Å; D473-Y659 WeakPolarHBondContact OD2-CD1 3.38Å; R651-Y659 PolarHBondContact NH2-O 2.79Å; N652-Y659 PolarHBondContact ND2-N 2.78Å; N652-Y659 PolarHBondContact ND2-O 2.64Å; N652-Y659 PolarHBondContact OD1-N 2.97Å; Y659-N661 HydrophobicContact CE2-CB 4.32Å; Y659-M662 HydrophobicContact CE1-CB 3.91Å; Y659-M662 HydrophobicContact CE1-CG 3.9Å
660Y97.5Very high96Very high73 Ų7352 Ų5229%0.28623%0.231SC..  trans-114.4-7.4-174.1-70.9-64.5000114.7I648 N652 P658 M662 S663I648-Y660 HydrophobicContact CG2-CD1 4.29Å; N652-Y660 HydrophobicContact CB-CE1 4.01Å; N652-Y660 VanDerWaalsContact ND2-CD1 3.29Å; N652-Y660 WeakPolarHBondContact ND2-CD1 3.33Å; N652-Y660 WeakPolarHBondContact ND2-CE1 3.39Å; P658-Y660 HydrophobicContact CB-CD2 3.96Å; P658-Y660 HydrophobicContact CB-CE2 3.36Å; P658-Y660 HydrophobicContact CG-CD2 3.98Å; P658-Y660 HydrophobicContact CG-CE2 3.37Å; Y660-M662 PolarHBondContact O-N 3.31Å; Y660-M662 VanDerWaalsContact O-N 3.11Å; Y660-S663 WeakPolarHBondContact O-CB 3.44Å; Y660-S663 PolarHBondContact O-N 3.4Å
661N96.6Very high96Very high12 Ų1243.6 Ų43.66%0.06420%0.2CC..THydrogen-bonded Turntrans-69.4-14.7-168.6-55.7-1.7000113.5Y659Y659-N661 HydrophobicContact CE2-CB 4.32Å
662M97.8Very high95.7Very high0 Ų041.5 Ų41.50%019%0.194CC..THydrogen-bonded Turntrans-107.614172.1-73.6-76.3-159.400113.1F450 Y470 D473 F544 A552 I648 Y659 Y660 P664 I667F450-M662 HydrophobicContact CE2-CE 4.31Å; Y470-M662 HydrophobicContact CD2-CE 3.69Å; Y470-M662 HydrophobicContact CD2-CG 4.44Å; Y470-M662 HydrophobicContact CE2-CE 3.4Å; Y470-M662 VanDerWaalsContact CE2-CE 3.4Å; D473-M662 HydrophobicContact CB-CB 3.52Å; D473-M662 HydrophobicContact CB-CG 4.3Å; F544-M662 HydrophobicContact CE1-CE 4.48Å; F544-M662 HydrophobicContact CZ-CE 3.92Å; A552-M662 HydrophobicContact CB-CE 3.54Å; A552-M662 HydrophobicContact CB-CG 3.96Å; A552-M662 HydrophobicContact CB-SD 3.93Å; I648-M662 WeakPolarHBondContact CD1-O 3.24Å; Y659-M662 HydrophobicContact CE1-CB 3.91Å; Y659-M662 HydrophobicContact CE1-CG 3.9Å; Y660-M662 PolarHBondContact O-N 3.31Å; Y660-M662 VanDerWaalsContact O-N 3.11Å; M662-P664 WeakPolarHBondContact O-CD 3.46Å; M662-I667 WeakPolarHBondContact O-CD1 3.27Å
663S98.6Very high94.5Very high0 Ų042 Ų420%020%0.197CC..  trans-74.8123.2174.2-164.90000109.5Y660 D665 K666 I667Y660-S663 WeakPolarHBondContact O-CB 3.44Å; Y660-S663 PolarHBondContact O-N 3.4Å; S663-D665 VanDerWaalsContact CB-OD1 3.29Å; S663-D665 WeakPolarHBondContact CB-OD1 3.29Å; S663-D665 PolarHBondContact O-N 3.4Å; S663-D665 VanDerWaalsContact O-N 3.09Å; S663-D665 PolarHBondContact OG-OD1 2.79Å; S663-K666 WeakPolarHBondContact O-CA 3.23Å; S663-K666 WeakPolarHBondContact O-CB 3.14Å; S663-K666 PolarHBondContact O-N 3.42Å; S663-I667 WeakPolarHBondContact O-CG1 3.48Å; S663-I667 PolarHBondContact O-N 3.01Å
664P98.7Very high94.5Very high5 Ų537.9 Ų37.93%0.03218%0.178CC..G310 helixtrans-56.5-28.9-174.9-31.136.9000115.8V477 L641 I644 T645 M662 K666 I667V477-P664 HydrophobicContact CG2-CG 4.23Å; L641-P664 HydrophobicContact CB-CB 3.83Å; L641-P664 HydrophobicContact CB-CG 4.23Å; L641-P664 HydrophobicContact CD2-CB 3.99Å; L641-P664 HydrophobicContact CD2-CG 3.96Å; L641-P664 HydrophobicContact CG-CB 4.34Å; I644-P664 HydrophobicContact CB-CG 4.08Å; I644-P664 HydrophobicContact CG2-CG 3.89Å; T645-P664 WeakPolarHBondContact OG1-CD 3.25Å; M662-P664 WeakPolarHBondContact O-CD 3.46Å; P664-K666 PolarHBondContact O-N 2.74Å; P664-K666 VanDerWaalsContact O-N 3.16Å; P664-I667 PolarHBondContact O-N 2.89Å
665D97.9Very high94.9Very high58 Ų5829.3 Ų29.331%0.3114%0.137SC..G310 helixtrans-72.64.4173.364.4-20.3000114.5T645 K649 S663T645-D665 HydrophobicContact CG2-CB 4.14Å; T645-D665 VanDerWaalsContact CG2-CG 3.49Å; T645-D665 WeakPolarHBondContact CG2-OD2 3.43Å; K649-D665 WeakPolarHBondContact CE-OD2 3.3Å; K649-D665 IonicContact NZ-OD2 3.98Å; K649-D665 PolarHBondContact NZ-OD2 2.89Å; S663-D665 VanDerWaalsContact CB-OD1 3.29Å; S663-D665 WeakPolarHBondContact CB-OD1 3.29Å; S663-D665 PolarHBondContact O-N 3.4Å; S663-D665 VanDerWaalsContact O-N 3.09Å; S663-D665 PolarHBondContact OG-OD1 2.79Å
666K97.8Very high95.3Very high79 Ų7926.2 Ų26.234%0.34313%0.125SC..G310 helixtrans-134.43.9178.3-70.3-167.3175.4-168.60113.6Y610 S663 P664 P668Y610-K666 WeakPolarHBondContact CE1-O 3.42Å; Y610-K666 PolarHBondContact OH-O 3.2Å; S663-K666 WeakPolarHBondContact O-CA 3.23Å; S663-K666 WeakPolarHBondContact O-CB 3.14Å; S663-K666 PolarHBondContact O-N 3.42Å; P664-K666 PolarHBondContact O-N 2.74Å; P664-K666 VanDerWaalsContact O-N 3.16Å; K666-P668 WeakPolarHBondContact O-CD 3.44Å
667I98.8Very high95.8Very high0 Ų017.9 Ų17.90%09%0.089CC..  trans-98.1112.2177.7-67.6164.5000107.8V477 A551 Y616 L617 M662 S663 P664V477-I667 HydrophobicContact CG1-CD1 4.34Å; V477-I667 HydrophobicContact CG2-CD1 4.34Å; A551-I667 HydrophobicContact CB-CB 4.23Å; A551-I667 HydrophobicContact CB-CG1 3.92Å; A551-I667 HydrophobicContact CB-CG2 4.13Å; Y616-I667 CarbonylContact C-O 3.52Å; Y616-I667 WeakPolarHBondContact CA-O 3.29Å; L617-I667 HydrophobicContact CB-CB 4.26Å; L617-I667 HydrophobicContact CB-CG2 4.08Å; L617-I667 HydrophobicContact CD2-CG2 4.21Å; L617-I667 PolarHBondContact N-O 3.29Å; M662-I667 WeakPolarHBondContact O-CD1 3.27Å; S663-I667 WeakPolarHBondContact O-CG1 3.48Å; S663-I667 PolarHBondContact O-N 3.01Å; P664-I667 PolarHBondContact O-N 2.89Å
668P98.8Very high95.9Very high1 Ų118.3 Ų18.31%0.0069%0.091CC..BIsolated β-bridgetrans-62.4157.2170.9-21.934.5000111.9S547 F555 Y610 E614 K666 S670S547-P668 WeakPolarHBondContact CA-O 3.35Å; S547-P668 WeakPolarHBondContact CB-O 3.35Å; F555-P668 HydrophobicContact CE2-CG 3.63Å; F555-P668 HydrophobicContact CZ-CG 3.61Å; Y610-P668 HydrophobicContact CD1-CG 4.45Å; Y610-P668 HydrophobicContact CE1-CG 4.22Å; E614-P668 HydrophobicContact CG-CB 4.46Å; E614-P668 HydrophobicContact CG-CG 4.34Å; K666-P668 WeakPolarHBondContact O-CD 3.44Å; P668-S670 VanDerWaalsContact C-N 3.3Å; P668-S670 PolarHBondContact O-N 2.89Å
669N98.6Very high95.9Very high4 Ų417.8 Ų17.82%0.0219%0.086CC..SBendtrans-65.3-33.7173.8-79.1-52.5000112.7P398 H399 L615 Y616 L617 G618 M619 Y620P398-N669 WeakPolarHBondContact O-CB 3.28Å; H399-N669 WeakPolarHBondContact CA-O 3.31Å; H399-N669 PolarHBondContact CE1-OD1 3.44Å; H399-N669 PolarHBondContact ND1-O 3.18Å; L615-N669 PolarHBondContact O-N 3.3Å; L615-N669 PolarHBondContact O-ND2 3.01Å; Y616-N669 PolarHBondContact O-ND2 2.64Å; Y616-N669 VanDerWaalsContact O-ND2 3.14Å; Y616-N669 PolarHBondContact O-OD1 2.91Å; L617-N669 VanDerWaalsContact CA-OD1 3.31Å; L617-N669 WeakPolarHBondContact CA-OD1 3.38Å; G618-N669 PolarHBondContact N-OD1 2.87Å; M619-N669 PolarHBondContact O-ND2 3.12Å; Y620-N669 WeakPolarHBondContact CE1-OD1 3.04Å
670S98.6Very high95.7Very high6 Ų618.6 Ų18.64%0.0429%0.09CC..SBendtrans-137.7171.4-171.766.90000112.6H399 R401 A546 P668 A672H399-S670 VanDerWaalsContact C-CB 3.41Å; H399-S670 WeakPolarHBondContact O-CA 3.43Å; H399-S670 WeakPolarHBondContact O-CB 3.4Å; R401-S670 WeakPolarHBondContact O-CB 3.5Å; R401-S670 PolarHBondContact O-OG 3.49Å; A546-S670 CarbonylContact O-C 3.33Å; A546-S670 WeakPolarHBondContact O-CA 3.19Å; P668-S670 VanDerWaalsContact C-N 3.3Å; P668-S670 PolarHBondContact O-N 2.89Å; S670-A672 PolarHBondContact O-N 3.43Å
671V98.3Very high95.6Very high0 Ų014.5 Ų14.50%08%0.075CC..SBendtrans-79.795.4171.3-176.30000108.4H372 T375 T403 I406 A546 H550H372-V671 WeakPolarHBondContact CE1-CG1 3.48Å; H372-V671 VanDerWaalsContact ND1-CG1 3.3Å; H372-V671 WeakPolarHBondContact ND1-CG1 3.22Å; T375-V671 HydrophobicContact CG2-CG2 4.12Å; T403-V671 VanDerWaalsContact CA-O 3.25Å; T403-V671 WeakPolarHBondContact CA-O 3.39Å; T403-V671 HydrophobicContact CG2-CB 4.1Å; T403-V671 PolarHBondContact N-O 3.36Å; T403-V671 PolarHBondContact OG1-O 3.47Å; T403-V671 VanDerWaalsContact OG1-O 3.09Å; I406-V671 HydrophobicContact CG2-CG1 4.48Å; A546-V671 WeakPolarHBondContact O-CG2 3.33Å; A546-V671 PolarHBondContact O-N 2.66Å; H550-V671 HydrophobicContact CB-CG2 3.98Å
672A89.3Confident95.5Very high8 Ų814.7 Ų14.77%0.0668%0.076CC..  trans-132.5-20.6-175.700000114.4F402 S670F402-A672 HydrophobicContact CB-CB 4.08Å; F402-A672 HydrophobicContact CD2-CB 4.2Å; S670-A672 PolarHBondContact O-N 3.43Å
673V73.2Confident95.3Very high15 Ų1516 Ų169%0.0918%0.083CC..  trans-1760144.352.90000107.5H550 N554 F555 L607H550-V673 PolarHBondContact CE1-OXT 2.92Å; H550-V673 PolarHBondContact NE2-OXT 2.67Å; N554-V673 PolarHBondContact ND2-OXT 3.44Å; N554-V673 PolarHBondContact OD1-OXT 2.84Å; F555-V673 WeakPolarHBondContact CE1-O 3.23Å; F555-V673 WeakPolarHBondContact CZ-O 3.35Å; L607-V673 HydrophobicContact CD2-CG2 4.32Å

Retrieved 673 of 673 residues in 703.8 ms (Link to these results)

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