A0A3B3VDU8_9TELE Loading...

Platelet-activating factor acetylhydrolase IB subunit alpha1

Alpha1 catalytic subunit of the cytosolic type I platelet-activating factor (PAF) acetylhydrolase (PAF-AH (I)) heterotetrameric enzyme that catalyzes the hydrolyze of the acetyl group at the sn-2 position of PAF and its analogs and modulates the action of PAF. The activity and substrate specificity of PAF-AH (I) are affected by its subunit composition. Both alpha1/alpha1 homodimer (PAFAH1B3/PAFAH1B3 homodimer) and alpha1/alpha2 heterodimer(PAFAH1B3/PAFAH1B2 heterodimer) hydrolyze 1-O-alkyl-2-acetyl-sn-glycero-3-phosphoric acid (AAGPA) more efficiently than PAF, but they have little hydrolytic activity towards 1-O-alkyl-2-acetyl-sn-glycero-3-phosphorylethanolamine (AAGPE). Plays an important role during the development of brain.

AlphaFold DB , UniProt , Accession A0A3B3VDU8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 223 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
1M38.9Very low74.2Confident243 Ų24390.3 Ų90.3100%1.19756%0.559SS**  0101.90-60-159.7-169.500106.2A3M1-A3 PolarHBondContact O-N 2.92Å
2S40.3Very low76.2Confident111 Ų11187.9 Ų87.978%0.77655%0.546SS*.PPolyproline II helixtrans-63.3127.3173.445.20000107.2E4S2-E4 PolarHBondContact O-N 3.29Å
3A46Very low77.8Confident95 Ų9586.1 Ų86.179%0.78553%0.534SS*.PPolyproline II helixtrans-51.3117.3164.700000106.7M1 A5M1-A3 PolarHBondContact O-N 2.92Å; A3-A5 PolarHBondContact O-N 2.94Å
4E53.3Low79.2Confident186 Ų18683.7 Ų83.787%0.86952%0.52SS*.PPolyproline II helixtrans-52.6119169-79.8178155.300106.4S2 S6S2-E4 PolarHBondContact O-N 3.29Å; E4-S6 PolarHBondContact O-N 3.26Å; E4-S6 VanDerWaalsContact O-N 3.07Å
5A61.3Low80.4Confident98 Ų9881.5 Ų81.581%0.8151%0.508SS*.PPolyproline II helixtrans-58.5119.8179.300000107.5A3 N7A3-A5 PolarHBondContact O-N 2.94Å; A5-N7 PolarHBondContact O-N 3.17Å
6S87.8Confident81.3Confident94 Ų9486.9 Ų86.966%0.65753%0.525SS*.PPolyproline II helixtrans-54.7132.3-179.3-179.80000110E4 P8 T11E4-S6 PolarHBondContact O-N 3.26Å; E4-S6 VanDerWaalsContact O-N 3.07Å; S6-P8 VanDerWaalsContact O-CD 3.26Å; S6-P8 WeakPolarHBondContact O-CD 3.42Å; S6-T11 PolarHBondContact OG-OG1 2.79Å
7N96.9Very high82.2Confident37 Ų3786.2 Ų86.220%0.19852%0.518CS..  trans-67.6113.1-18017611.1000109.8A5 A9 A10 T11 Q113A5-N7 PolarHBondContact O-N 3.17Å; N7-A9 PolarHBondContact O-N 3.2Å; N7-A9 WeakPolarHBondContact OD1-CB 3.4Å; N7-A9 PolarHBondContact OD1-N 3.18Å; N7-A9 VanDerWaalsContact OD1-N 3.12Å; N7-A10 HydrophobicContact CB-CB 4.07Å; N7-A10 PolarHBondContact O-N 2.8Å; N7-T11 PolarHBondContact O-N 3.36Å; N7-T11 PolarHBondContact O-OG1 3.48Å; N7-T11 VanDerWaalsContact O-OG1 3.11Å; N7-Q113 PolarHBondContact ND2-O 3Å; N7-Q113 WeakPolarHBondContact OD1-CA 3.35Å; N7-Q113 VanDerWaalsContact OD1-CB 3.29Å; N7-Q113 WeakPolarHBondContact OD1-CB 3.34Å; N7-Q113 WeakPolarHBondContact OD1-CG 3.5Å
8P97.3Very high82.9Confident55 Ų5587.3 Ų87.336%0.35753%0.531SS..G310 helixtrans-64-29.9-176.926.4-35.5000112.6S6 A10 T11S6-P8 VanDerWaalsContact O-CD 3.26Å; S6-P8 WeakPolarHBondContact O-CD 3.42Å; P8-A10 PolarHBondContact O-N 3.14Å; P8-T11 PolarHBondContact O-N 3.09Å
9A98.2Very high83.7Confident0 Ų089.6 Ų89.60%054%0.535CS..G310 helixtrans-71.7-15176.600000113.1N7 T78 Q79 Q113 G117N7-A9 PolarHBondContact O-N 3.2Å; N7-A9 WeakPolarHBondContact OD1-CB 3.4Å; N7-A9 PolarHBondContact OD1-N 3.18Å; N7-A9 VanDerWaalsContact OD1-N 3.12Å; A9-T78 WeakPolarHBondContact O-CB 3.44Å; A9-T78 PolarHBondContact O-OG1 2.74Å; A9-Q79 PolarHBondContact O-N 2.89Å; A9-Q113 HydrophobicContact CB-CB 4.24Å; A9-Q113 VanDerWaalsContact CB-O 3.3Å; A9-Q113 WeakPolarHBondContact CB-O 3.39Å; A9-G117 WeakPolarHBondContact O-CA 3.15Å
10A98.3Very high84.4Confident19 Ų1988.4 Ų88.416%0.15754%0.542CS..G310 helixtrans-107.28.7176.400000112.8N7 P8 L82 E120N7-A10 HydrophobicContact CB-CB 4.07Å; N7-A10 PolarHBondContact O-N 2.8Å; P8-A10 PolarHBondContact O-N 3.14Å; A10-L82 WeakPolarHBondContact O-CD2 3.26Å; A10-E120 HydrophobicContact CB-CB 3.94Å; A10-E120 HydrophobicContact CB-CG 4.19Å
11T97.9Very high85Confident55 Ų5588.4 Ų88.434%0.33754%0.539SS..SBendtrans-101.8111-179.7-60.40000109.8S6 N7 P8 T13 Q79S6-T11 PolarHBondContact OG-OG1 2.79Å; N7-T11 PolarHBondContact O-N 3.36Å; N7-T11 PolarHBondContact O-OG1 3.48Å; N7-T11 VanDerWaalsContact O-OG1 3.11Å; P8-T11 PolarHBondContact O-N 3.09Å; T11-T13 PolarHBondContact O-N 2.96Å; T11-T13 VanDerWaalsContact O-N 3.09Å; T11-T13 PolarHBondContact O-OG1 3.11Å; T11-Q79 WeakPolarHBondContact O-CB 3.23Å
12P98.2Very high87.8Confident62 Ų6278 Ų7840%0.40349%0.494SS..  trans-61.1116.3-172.323.5-31.8000111.2L82 W83P12-L82 HydrophobicContact CB-CB 4.37Å; P12-L82 HydrophobicContact CB-CD2 4.07Å; P12-L82 HydrophobicContact CB-CG 4.03Å; P12-L82 HydrophobicContact CG-CD2 4.32Å; P12-W83 HydrophobicContact CB-CB 4.14Å
13T97.6Very high90.6Very high64 Ų6479.1 Ų79.139%0.39348%0.481SS..  trans-137.6131.1-177.1-53.50000109.2T11 Q79 H80T11-T13 PolarHBondContact O-N 2.96Å; T11-T13 VanDerWaalsContact O-N 3.09Å; T11-T13 PolarHBondContact O-OG1 3.11Å; T13-Q79 PolarHBondContact N-O 2.82Å; T13-Q79 VanDerWaalsContact N-O 3.1Å; T13-H80 WeakPolarHBondContact O-CA 3.35Å; T13-H80 PolarHBondContact O-CD2 2.93Å
14P97.3Very high93.1Very high53 Ų5375.7 Ų75.734%0.34445%0.448SS..PPolyproline II helixtrans-71.2156.7175.330.1-31.1000110.7E16 W24 W83P14-E16 PolarHBondContact O-N 3.1Å; P14-W24 HydrophobicContact CB-CH2 3.85Å; P14-W24 HydrophobicContact CB-CZ3 3.69Å; P14-W83 HydrophobicContact CB-CD2 3.8Å; P14-W83 HydrophobicContact CB-CE3 4.25Å; P14-W83 HydrophobicContact CB-CG 4.17Å; P14-W83 HydrophobicContact CB-CH2 4.47Å; P14-W83 HydrophobicContact CB-CZ2 4.06Å; P14-W83 VanDerWaalsContact CD-CD1 3.48Å; P14-W83 HydrophobicContact CG-CD2 4.49Å; P14-W83 HydrophobicContact CG-CZ2 4.44Å
15C96.1Very high95.2Very high50 Ų5070.8 Ų70.834%0.33843%0.425SS..PPolyproline II helixtrans-69.9130172.2-170.30000110.2W24C15-W24 HydrophobicContact CB-CB 4.4Å; C15-W24 HydrophobicContact CB-CD2 3.56Å; C15-W24 HydrophobicContact CB-CE3 4.21Å; C15-W24 HydrophobicContact CB-CG 3.62Å; C15-W24 HydrophobicContact CB-CZ2 4.14Å
16E95.2Very high97Very high168 Ų16869.7 Ų69.779%0.78541%0.412SS*.PPolyproline II helixtrans-72.6129.1176.1-173.4178.9-176.500111P14 S18P14-E16 PolarHBondContact O-N 3.1Å; E16-S18 PolarHBondContact O-N 3.15Å; E16-S18 VanDerWaalsContact O-N 3.07Å
17D96.3Very high97.6Very high75 Ų7567 Ų6740%0.40139%0.389SS..  trans-82.385.4175.8-176.716.3000111.4Q19 G20 D21 G22D17-Q19 VanDerWaalsContact C-N 3.28Å; D17-Q19 PolarHBondContact OD1-N 3.29Å; D17-Q19 VanDerWaalsContact OD1-N 3.09Å; D17-G20 VanDerWaalsContact CG-N 3.32Å; D17-G20 PolarHBondContact OD1-N 3.26Å; D17-G20 VanDerWaalsContact OD2-C 3.25Å; D17-G20 VanDerWaalsContact OD2-CA 3.23Å; D17-G20 WeakPolarHBondContact OD2-CA 3.36Å; D17-G20 PolarHBondContact OD2-N 3.1Å; D17-D21 PolarHBondContact OD2-N 3.31Å; D17-G22 WeakPolarHBondContact OD2-CA 3.35Å; D17-G22 PolarHBondContact OD2-N 3.08Å
18S95.9Very high97.6Very high107 Ų10765.9 Ų65.975%0.74838%0.383SS*.SBendtrans-78.8-6.6174.352.60000114.1E16E16-S18 PolarHBondContact O-N 3.15Å; E16-S18 VanDerWaalsContact O-N 3.07Å
19Q97Very high97.7Very high130 Ų13067.5 Ų67.561%0.60739%0.391SS*.SBendtrans-101.7-26.8-178.2-66.1178.93700112.4D17D17-Q19 VanDerWaalsContact C-N 3.28Å; D17-Q19 PolarHBondContact OD1-N 3.29Å; D17-Q19 VanDerWaalsContact OD1-N 3.09Å
20G97.6Very high97.7Very high65 Ų6573.2 Ų73.267%0.6741%0.413SS*.SBendtrans88.710.5174.800000115D17D17-G20 VanDerWaalsContact CG-N 3.32Å; D17-G20 PolarHBondContact OD1-N 3.26Å; D17-G20 VanDerWaalsContact OD2-C 3.25Å; D17-G20 VanDerWaalsContact OD2-CA 3.23Å; D17-G20 WeakPolarHBondContact OD2-CA 3.36Å; D17-G20 PolarHBondContact OD2-N 3.1Å
21D98.1Very high97.7Very high90 Ų9072.3 Ų72.348%0.48141%0.406SS..SBendtrans-99-4.6-179.170.913.7000114.1D17 R23D17-D21 PolarHBondContact OD2-N 3.31Å; D21-R23 PolarHBondContact O-N 2.91Å; D21-R23 VanDerWaalsContact O-N 3.14Å; D21-R23 VanDerWaalsContact OD1-CB 3.26Å; D21-R23 WeakPolarHBondContact OD1-CB 3.33Å; D21-R23 WeakPolarHBondContact OD1-CD 3.43Å; D21-R23 WeakPolarHBondContact OD1-CG 3.34Å; D21-R23 PolarHBondContact OD1-N 3.3Å; D21-R23 WeakPolarHBondContact OD2-CD 3.48Å
22G97.9Very high97.8Very high24 Ų2471 Ų7125%0.24740%0.398CS..  trans65.89.7176.800000115.4D17 W24 M25 S26D17-G22 WeakPolarHBondContact OD2-CA 3.35Å; D17-G22 PolarHBondContact OD2-N 3.08Å; G22-W24 VanDerWaalsContact C-N 3.29Å; G22-W24 PolarHBondContact O-N 3.41Å; G22-W24 VanDerWaalsContact O-N 3.15Å; G22-M25 PolarHBondContact O-N 3.34Å; G22-M25 VanDerWaalsContact O-N 3.11Å; G22-S26 PolarHBondContact O-N 3.07Å; G22-S26 PolarHBondContact O-OG 2.95Å
23R98.3Very high97.8Very high135 Ų13570.3 Ų70.351%0.50939%0.394SS..Hα-helixtrans-60.8-31.3-167.269.9-170.4179155.94.7115D21 Q27D21-R23 PolarHBondContact O-N 2.91Å; D21-R23 VanDerWaalsContact O-N 3.14Å; D21-R23 VanDerWaalsContact OD1-CB 3.26Å; D21-R23 WeakPolarHBondContact OD1-CB 3.33Å; D21-R23 WeakPolarHBondContact OD1-CD 3.43Å; D21-R23 WeakPolarHBondContact OD1-CG 3.34Å; D21-R23 PolarHBondContact OD1-N 3.3Å; D21-R23 WeakPolarHBondContact OD2-CD 3.48Å; R23-Q27 WeakPolarHBondContact O-CG 3.5Å; R23-Q27 PolarHBondContact O-N 3.44Å; R23-Q27 VanDerWaalsContact O-N 3.11Å; R23-Q27 PolarHBondContact O-NE2 3.16Å; R23-Q27 VanDerWaalsContact O-NE2 3.14Å
24W98.7Very high97.7Very high23 Ų2369.3 Ų69.39%0.08739%0.385CS..Hα-helixtrans-66.9-47.5178.2-174.391.8000110.4P14 C15 G22 S26 Q27 H28 D76 H80 W83 R84P14-W24 HydrophobicContact CB-CH2 3.85Å; P14-W24 HydrophobicContact CB-CZ3 3.69Å; C15-W24 HydrophobicContact CB-CB 4.4Å; C15-W24 HydrophobicContact CB-CD2 3.56Å; C15-W24 HydrophobicContact CB-CE3 4.21Å; C15-W24 HydrophobicContact CB-CG 3.62Å; C15-W24 HydrophobicContact CB-CZ2 4.14Å; G22-W24 VanDerWaalsContact C-N 3.29Å; G22-W24 PolarHBondContact O-N 3.41Å; G22-W24 VanDerWaalsContact O-N 3.15Å; W24-S26 PolarHBondContact O-N 3.48Å; W24-Q27 PolarHBondContact O-N 3.11Å; W24-H28 PolarHBondContact O-N 3.09Å; W24-H28 VanDerWaalsContact O-N 3.1Å; W24-D76 PolarHBondContact NE1-OD1 3.03Å; W24-H80 HydrophobicContact CZ2-CB 4.13Å; W24-W83 HydrophobicContact CH2-CD2 4.17Å; W24-W83 AromaticContact CH2-CE3 3.39Å; W24-W83 HydrophobicContact CH2-CE3 3.39Å; W24-W83 AromaticContact CH2-CZ3 3.69Å; W24-W83 HydrophobicContact CH2-CZ3 3.69Å; W24-W83 AromaticContact CZ3-CE3 3.88Å; W24-W83 HydrophobicContact CZ3-CE3 3.88Å; W24-W83 HydrophobicContact CZ3-CH2 4.36Å; W24-W83 AromaticContact CZ3-CZ3 3.69Å; W24-W83 HydrophobicContact CZ3-CZ3 3.69Å; W24-R84 HydrophobicContact CH2-CG 3.78Å; W24-R84 HydrophobicContact CZ2-CG 3.61Å
25M98.6Very high97.7Very high82 Ų8266.9 Ų66.940%0.40437%0.369SS..Hα-helixtrans-65.7-38.1176.3-169.458.264.300111.7G22 Q27 H28 V29 W83G22-M25 PolarHBondContact O-N 3.34Å; G22-M25 VanDerWaalsContact O-N 3.11Å; M25-Q27 VanDerWaalsContact C-N 3.32Å; M25-Q27 PolarHBondContact O-N 3.27Å; M25-H28 PolarHBondContact O-N 3.38Å; M25-V29 HydrophobicContact CG-CG2 4.43Å; M25-V29 WeakPolarHBondContact O-CG2 3.45Å; M25-V29 PolarHBondContact O-N 3.06Å; M25-W83 HydrophobicContact CE-CH2 3.75Å; M25-W83 HydrophobicContact CE-CZ2 4.5Å; M25-W83 HydrophobicContact CE-CZ3 4.29Å; M25-W83 HydrophobicContact SD-CH2 4.25Å
26S98.7Very high97.6Very high76 Ų7671.3 Ų71.353%0.53138%0.382SS..Hα-helixtrans-60.9-39.8175.5-56.50000112.8G22 W24 R30G22-S26 PolarHBondContact O-N 3.07Å; G22-S26 PolarHBondContact O-OG 2.95Å; W24-S26 PolarHBondContact O-N 3.48Å; S26-R30 PolarHBondContact O-N 3.44Å; S26-R30 VanDerWaalsContact O-N 3.1Å
27Q98.8Very high97.6Very high38 Ų3870.1 Ų70.118%0.17838%0.377CS..Hα-helixtrans-66.8-44.4175.6-73.9173.498.500111.7R23 W24 M25 R30 F31 I73R23-Q27 WeakPolarHBondContact O-CG 3.5Å; R23-Q27 PolarHBondContact O-N 3.44Å; R23-Q27 VanDerWaalsContact O-N 3.11Å; R23-Q27 PolarHBondContact O-NE2 3.16Å; R23-Q27 VanDerWaalsContact O-NE2 3.14Å; W24-Q27 PolarHBondContact O-N 3.11Å; M25-Q27 VanDerWaalsContact C-N 3.32Å; M25-Q27 PolarHBondContact O-N 3.27Å; Q27-R30 WeakPolarHBondContact O-CB 3.44Å; Q27-R30 PolarHBondContact O-N 2.75Å; Q27-F31 HydrophobicContact CB-CE2 4.48Å; Q27-F31 WeakPolarHBondContact O-CD2 3.46Å; Q27-F31 WeakPolarHBondContact O-CG 3.31Å; Q27-F31 PolarHBondContact O-N 2.96Å; Q27-F31 VanDerWaalsContact O-N 3.08Å; Q27-I73 HydrophobicContact CB-CD1 3.86Å; Q27-I73 HydrophobicContact CB-CG1 4.37Å
28H98.8Very high97.5Very high13 Ų1372.2 Ų72.26%0.0638%0.379CS..Hα-helixtrans-56.3-50.4174.2169.462.9000112W24 M25 R30 F31 V32 W83 N87 E89W24-H28 PolarHBondContact O-N 3.09Å; W24-H28 VanDerWaalsContact O-N 3.1Å; M25-H28 PolarHBondContact O-N 3.38Å; H28-R30 VanDerWaalsContact C-N 3.28Å; H28-R30 PolarHBondContact O-N 3.12Å; H28-F31 WeakPolarHBondContact O-CB 3.4Å; H28-F31 PolarHBondContact O-N 3.46Å; H28-V32 WeakPolarHBondContact O-CG2 3.45Å; H28-V32 PolarHBondContact O-N 3.23Å; H28-W83 AromaticContact CD2-CZ3 3.77Å; H28-W83 AromaticContact CE1-CZ3 3.98Å; H28-W83 AromaticContact NE2-CZ3 3.7Å; H28-N87 PolarHBondContact CE1-O 2.98Å; H28-N87 VanDerWaalsContact CE1-O 3.23Å; H28-N87 PolarHBondContact NE2-O 3.45Å; H28-E89 IonicContact CE1-OE1 3.75Å; H28-E89 IonicContact CG-OE1 3.61Å; H28-E89 IonicContact ND1-OE1 2.73Å; H28-E89 PolarHBondContact ND1-OE1 2.73Å
29V98.6Very high97.5Very high88 Ų8875.9 Ų75.953%0.53338%0.384SS..Hα-helixtrans-59.8-38.5178.81700000111.8M25 V32 S33M25-V29 HydrophobicContact CG-CG2 4.43Å; M25-V29 WeakPolarHBondContact O-CG2 3.45Å; M25-V29 PolarHBondContact O-N 3.06Å; V29-V32 PolarHBondContact O-N 3.3Å; V29-S33 PolarHBondContact O-N 3.19Å
30R98.6Very high97.5Very high120 Ų12070 Ų7045%0.45336%0.358SS..Hα-helixtrans-59.8-47.6173.6-178-169.765.7-162.2-5.3111.1S26 Q27 H28 V32 S33 E34S26-R30 PolarHBondContact O-N 3.44Å; S26-R30 VanDerWaalsContact O-N 3.1Å; Q27-R30 WeakPolarHBondContact O-CB 3.44Å; Q27-R30 PolarHBondContact O-N 2.75Å; H28-R30 VanDerWaalsContact C-N 3.28Å; H28-R30 PolarHBondContact O-N 3.12Å; R30-V32 PolarHBondContact O-N 2.99Å; R30-S33 WeakPolarHBondContact O-CA 3.36Å; R30-S33 WeakPolarHBondContact O-CB 3.43Å; R30-S33 PolarHBondContact O-N 3.19Å; R30-S33 VanDerWaalsContact O-N 3.09Å; R30-E34 IonicContact NE-OE1 2.74Å; R30-E34 PolarHBondContact O-N 3.49Å
31F98.6Very high97.6Very high1 Ų168.9 Ų68.90%0.00434%0.337CS..Hα-helixtrans-62.4-41.4179.4-61.3-32.9000112.4Q27 H28 S33 E34 C35 N70 F71 I73 E89Q27-F31 HydrophobicContact CB-CE2 4.48Å; Q27-F31 WeakPolarHBondContact O-CD2 3.46Å; Q27-F31 WeakPolarHBondContact O-CG 3.31Å; Q27-F31 PolarHBondContact O-N 2.96Å; Q27-F31 VanDerWaalsContact O-N 3.08Å; H28-F31 WeakPolarHBondContact O-CB 3.4Å; H28-F31 PolarHBondContact O-N 3.46Å; F31-S33 VanDerWaalsContact C-N 3.26Å; F31-S33 PolarHBondContact O-N 3.15Å; F31-E34 PolarHBondContact O-N 2.73Å; F31-E34 VanDerWaalsContact O-N 3.16Å; F31-C35 PolarHBondContact O-N 3.45Å; F31-C35 PolarHBondContact O-SG 3.41Å; F31-N70 WeakPolarHBondContact CE1-O 3.41Å; F31-N70 WeakPolarHBondContact CZ-O 3.37Å; F31-F71 HydrophobicContact CB-CD1 3.63Å; F31-F71 HydrophobicContact CB-CE1 3.66Å; F31-F71 HydrophobicContact CB-CG 4.06Å; F31-F71 HydrophobicContact CB-CZ 4.13Å; F31-F71 AromaticContact CD1-CD1 3.23Å; F31-F71 HydrophobicContact CD1-CD1 3.23Å; F31-F71 AromaticContact CD1-CE1 3.63Å; F31-F71 HydrophobicContact CD1-CE1 3.63Å; F31-F71 HydrophobicContact CD1-CG 4.17Å; F31-F71 HydrophobicContact CD2-CB 3.97Å; F31-F71 HydrophobicContact CD2-CD1 4.02Å; F31-F71 HydrophobicContact CD2-CG 4.17Å; F31-F71 AromaticContact CE1-CD1 3.74Å; F31-F71 HydrophobicContact CE1-CD1 3.74Å; F31-F71 HydrophobicContact CE1-CE1 4.45Å; F31-F71 HydrophobicContact CE2-CB 4.1Å; F31-F71 HydrophobicContact CE2-CD1 4.47Å; F31-F71 HydrophobicContact CG-CB 4.22Å; F31-F71 AromaticContact CG-CD1 3.37Å; F31-F71 HydrophobicContact CG-CD1 3.37Å; F31-F71 AromaticContact CG-CE1 3.84Å; F31-F71 HydrophobicContact CG-CE1 3.84Å; F31-F71 AromaticContact CG-CG 3.91Å; F31-F71 HydrophobicContact CG-CG 3.91Å; F31-F71 HydrophobicContact CZ-CB 4.45Å; F31-F71 HydrophobicContact CZ-CD1 4.35Å; F31-I73 HydrophobicContact CD2-CD1 4.44Å; F31-I73 HydrophobicContact CE2-CD1 3.89Å; F31-I73 HydrophobicContact CE2-CG1 3.64Å; F31-I73 HydrophobicContact CZ-CG1 4.39Å; F31-E89 HydrophobicContact CB-CG 3.91Å
32V98.4Very high97.6Very high28 Ų2864.6 Ų64.617%0.1731%0.314CS..Hα-helixtrans-61.1-34.8173174.70000111.9H28 V29 R30 E89H28-V32 WeakPolarHBondContact O-CG2 3.45Å; H28-V32 PolarHBondContact O-N 3.23Å; V29-V32 PolarHBondContact O-N 3.3Å; R30-V32 PolarHBondContact O-N 2.99Å; V32-E89 HydrophobicContact CG2-CG 3.99Å
33S98.2Very high97.6Very high47 Ų4763.5 Ų63.533%0.32930%0.302SS..Hα-helixtrans-68.2-44173.4-152.20000111.7V29 R30 F31 C35 K36 E37V29-S33 PolarHBondContact O-N 3.19Å; R30-S33 WeakPolarHBondContact O-CA 3.36Å; R30-S33 WeakPolarHBondContact O-CB 3.43Å; R30-S33 PolarHBondContact O-N 3.19Å; R30-S33 VanDerWaalsContact O-N 3.09Å; F31-S33 VanDerWaalsContact C-N 3.26Å; F31-S33 PolarHBondContact O-N 3.15Å; S33-C35 VanDerWaalsContact C-N 3.25Å; S33-C35 PolarHBondContact O-N 3.49Å; S33-K36 WeakPolarHBondContact O-CB 3.47Å; S33-K36 PolarHBondContact O-N 2.74Å; S33-E37 PolarHBondContact O-N 3.24Å; S33-E37 PolarHBondContact OG-OE1 2.78Å
34E97.1Very high97.7Very high42 Ų4257.1 Ų57.120%0.19628%0.278CS..Hα-helixtrans-58.7-37.7177.9-71.6179.7-160.700111.9R30 F31 K36 E37 R38 L69 F71R30-E34 IonicContact NE-OE1 2.74Å; R30-E34 PolarHBondContact O-N 3.49Å; F31-E34 PolarHBondContact O-N 2.73Å; F31-E34 VanDerWaalsContact O-N 3.16Å; E34-K36 PolarHBondContact O-N 3.08Å; E34-E37 PolarHBondContact O-N 3.47Å; E34-E37 VanDerWaalsContact O-N 3.17Å; E34-R38 WeakPolarHBondContact O-CB 3.36Å; E34-R38 PolarHBondContact O-N 3.07Å; E34-L69 HydrophobicContact CB-CD1 4.35Å; E34-F71 HydrophobicContact CB-CE1 4.37Å
35C95.7Very high97.7Very high2 Ų256 Ų561%0.01427%0.274CS..Hα-helixtrans-64.3-21.5174.7-68.30000114.3F31 S33 F71 E89 D91 I93F31-C35 PolarHBondContact O-N 3.45Å; F31-C35 PolarHBondContact O-SG 3.41Å; S33-C35 VanDerWaalsContact C-N 3.25Å; S33-C35 PolarHBondContact O-N 3.49Å; C35-F71 VanDerWaalsContact SG-CE2 3.53Å; C35-F71 WeakPolarHBondContact SG-CZ 3.16Å; C35-E89 PolarHBondContact SG-O 3.14Å; C35-D91 VanDerWaalsContact CB-O 3.31Å; C35-D91 WeakPolarHBondContact CB-O 3.5Å; C35-I93 HydrophobicContact CB-CG2 3.87Å; C35-I93 WeakPolarHBondContact O-CG2 3.46Å
36K95.4Very high97.7Very high143 Ų14352.1 Ų52.162%0.62225%0.254SS*.Hα-helixtrans-87-22.8175.6-64.3172.6-175.21750112.7S33 E34S33-K36 WeakPolarHBondContact O-CB 3.47Å; S33-K36 PolarHBondContact O-N 2.74Å; E34-K36 PolarHBondContact O-N 3.08Å
37E94.3Very high97.7Very high144 Ų14448.5 Ų48.567%0.67323%0.229SC*.Hα-helixtrans-106.7-14.5-169.8-67.4170.7-154.300112.9S33 E34S33-E37 PolarHBondContact O-N 3.24Å; S33-E37 PolarHBondContact OG-OE1 2.78Å; E34-E37 PolarHBondContact O-N 3.47Å; E34-E37 VanDerWaalsContact O-N 3.17Å
38R94.7Very high97.7Very high118 Ų11847 Ų4745%0.44522%0.223SC..  trans-135.2150.3-170.2-55.4-173.363.8-165.6-5.9111.7E34 P40 L69E34-R38 WeakPolarHBondContact O-CB 3.36Å; E34-R38 PolarHBondContact O-N 3.07Å; R38-P40 WeakPolarHBondContact O-CD 3.3Å; R38-L69 HydrophobicContact CB-CD2 4.44Å
39E95.7Very high97.7Very high184 Ų18446.6 Ų46.686%0.8622%0.221SC*.  trans-118.985.7177.6-65.6179.2173.200109.5
40P97.7Very high97.7Very high7 Ų742.4 Ų42.45%0.04520%0.196CC..  trans-80.1146-177.131.4-34.9000113.2R38 V43 H67 L69 I93 P95R38-P40 WeakPolarHBondContact O-CD 3.3Å; P40-V43 HydrophobicContact CB-CG2 4.15Å; P40-V43 HydrophobicContact CG-CG2 3.65Å; P40-H67 VanDerWaalsContact CA-O 3.26Å; P40-H67 WeakPolarHBondContact CA-O 3.24Å; P40-H67 VanDerWaalsContact CB-O 3.24Å; P40-H67 WeakPolarHBondContact CB-O 3.26Å; P40-L69 HydrophobicContact CB-CD1 4.25Å; P40-L69 HydrophobicContact CB-CG 3.86Å; P40-L69 HydrophobicContact CG-CD1 3.73Å; P40-L69 HydrophobicContact CG-CG 3.91Å; P40-I93 HydrophobicContact CG-CB 4.3Å; P40-I93 HydrophobicContact CG-CD1 4.43Å; P40-I93 HydrophobicContact CG-CG2 4.17Å; P40-P95 VanDerWaalsContact O-CA 3.29Å; P40-P95 WeakPolarHBondContact O-CA 3.43Å
41D98.1Very high97.7Very high42 Ų4239 Ų3923%0.22519%0.185CC..SBendtrans-79.6-27165.9-74.3-69.6000111.5H67 K96 V97 L217D41-H67 PolarHBondContact N-O 3.35Å; D41-H67 IonicContact OD2-CG 2.75Å; D41-H67 IonicContact OD2-ND1 2.64Å; D41-H67 PolarHBondContact OD2-ND1 3.23Å; D41-H67 VanDerWaalsContact OD2-ND1 3.09Å; D41-K96 PolarHBondContact O-N 2.97Å; D41-K96 WeakPolarHBondContact OD1-CE 3.31Å; D41-K96 IonicContact OD1-NZ 3.46Å; D41-K96 PolarHBondContact OD1-NZ 2.75Å; D41-V97 PolarHBondContact O-N 2.64Å; D41-L217 HydrophobicContact CB-CD2 4.31Å
42V98.7Very high97.7Very high0 Ų040.9 Ų40.90%020%0.195CC..EExtended strand (participates in β ladder)trans-137.2136.5-177.3-173.70000111F44 L66 C68 L69 V97 V99 I213 L217V42-F44 HydrophobicContact CG1-CD2 4Å; V42-F44 HydrophobicContact CG1-CE2 3.67Å; V42-L66 HydrophobicContact CG2-CB 4.49Å; V42-C68 HydrophobicContact CB-CB 4.5Å; V42-C68 CarbonylContact O-C 3.57Å; V42-C68 VanDerWaalsContact O-CA 3.22Å; V42-C68 WeakPolarHBondContact O-CA 3.41Å; V42-L69 PolarHBondContact O-N 3.09Å; V42-V97 VanDerWaalsContact CA-O 3.29Å; V42-V97 WeakPolarHBondContact CA-O 3.29Å; V42-V97 HydrophobicContact CG1-CB 4.26Å; V42-V97 HydrophobicContact CG1-CG1 4.45Å; V42-V97 HydrophobicContact CG2-CB 4.3Å; V42-V99 HydrophobicContact CG1-CG2 4.1Å; V42-I213 HydrophobicContact CG1-CG2 4.34Å; V42-I213 HydrophobicContact CG2-CG2 3.89Å; V42-L217 HydrophobicContact CG2-CD1 3.99Å; V42-L217 HydrophobicContact CG2-CD2 3.99Å; V42-L217 HydrophobicContact CG2-CG 4.37Å
43V98.8Very high97.7Very high0 Ų039.6 Ų39.60%019%0.187CC..EExtended strand (participates in β ladder)trans-122.2125.7172.3-179.30000109.9P40 V45 L69 F71 I93 P95 V97 V98 V99P40-V43 HydrophobicContact CB-CG2 4.15Å; P40-V43 HydrophobicContact CG-CG2 3.65Å; V43-V45 HydrophobicContact CG1-CG2 3.84Å; V43-L69 HydrophobicContact CG1-CB 4.48Å; V43-L69 HydrophobicContact CG2-CB 4.35Å; V43-F71 HydrophobicContact CG1-CD2 3.57Å; V43-F71 HydrophobicContact CG1-CE2 3.77Å; V43-F71 HydrophobicContact CG1-CG 4.28Å; V43-I93 HydrophobicContact CG2-CD1 3.81Å; V43-P95 HydrophobicContact CG2-CB 3.96Å; V43-P95 HydrophobicContact CG2-CG 3.93Å; V43-V97 PolarHBondContact N-O 3.37Å; V43-V98 CarbonylContact O-C 3.57Å; V43-V98 WeakPolarHBondContact O-CA 3.46Å; V43-V99 PolarHBondContact O-N 3.28Å
44F98.9Very high97.6Very high1 Ų141.6 Ų41.60%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-94.1130.1170.6-73-110.6000109.4V42 V50 M53 W59 F63 C68 L69 F71 V99 L209 I213V42-F44 HydrophobicContact CG1-CD2 4Å; V42-F44 HydrophobicContact CG1-CE2 3.67Å; F44-V50 HydrophobicContact CB-CG1 3.67Å; F44-M53 HydrophobicContact CD1-SD 4.5Å; F44-M53 HydrophobicContact CE1-CE 4.49Å; F44-M53 HydrophobicContact CE1-SD 4.11Å; F44-W59 HydrophobicContact CB-CH2 4.4Å; F44-W59 HydrophobicContact CD1-CZ3 4.25Å; F44-W59 AromaticContact CD2-CH2 3.59Å; F44-W59 HydrophobicContact CD2-CH2 3.59Å; F44-W59 AromaticContact CD2-CZ3 3.95Å; F44-W59 HydrophobicContact CD2-CZ3 3.95Å; F44-W59 HydrophobicContact CE1-CZ3 4.36Å; F44-W59 AromaticContact CE2-CH2 3.95Å; F44-W59 HydrophobicContact CE2-CH2 3.95Å; F44-W59 HydrophobicContact CE2-CZ3 4.08Å; F44-W59 AromaticContact CG-CH2 3.98Å; F44-W59 HydrophobicContact CG-CH2 3.98Å; F44-W59 HydrophobicContact CG-CZ3 4.04Å; F44-W59 HydrophobicContact CZ-CZ3 4.27Å; F44-F63 HydrophobicContact CE2-CD1 4.22Å; F44-F63 HydrophobicContact CE2-CG 4.45Å; F44-F63 AromaticContact CZ-CD1 3.7Å; F44-F63 HydrophobicContact CZ-CD1 3.7Å; F44-F63 AromaticContact CZ-CE1 3.86Å; F44-F63 HydrophobicContact CZ-CE1 3.86Å; F44-F63 HydrophobicContact CZ-CG 4.1Å; F44-F63 HydrophobicContact CZ-CZ 4.39Å; F44-C68 HydrophobicContact CD2-CB 4.26Å; F44-C68 HydrophobicContact CE2-CB 4.2Å; F44-L69 PolarHBondContact N-O 2.98Å; F44-F71 WeakPolarHBondContact O-CA 3.13Å; F44-F71 PolarHBondContact O-N 3.18Å; F44-V99 CarbonylContact C-O 3.46Å; F44-V99 WeakPolarHBondContact CA-O 3.45Å; F44-V99 HydrophobicContact CD1-CB 3.69Å; F44-V99 HydrophobicContact CD1-CG1 3.72Å; F44-V99 HydrophobicContact CD1-CG2 4.17Å; F44-V99 HydrophobicContact CD2-CB 4.47Å; F44-V99 HydrophobicContact CD2-CG2 4.41Å; F44-V99 HydrophobicContact CE1-CB 3.92Å; F44-V99 HydrophobicContact CE1-CG1 3.78Å; F44-V99 HydrophobicContact CE1-CG2 3.95Å; F44-V99 HydrophobicContact CE2-CG2 4.19Å; F44-V99 HydrophobicContact CG-CB 4Å; F44-V99 HydrophobicContact CG-CG2 4.41Å; F44-V99 HydrophobicContact CZ-CB 4.39Å; F44-V99 HydrophobicContact CZ-CG2 3.96Å; F44-L209 HydrophobicContact CE1-CD2 4.1Å; F44-I213 HydrophobicContact CE1-CD1 4.24Å; F44-I213 HydrophobicContact CE2-CD1 4.22Å; F44-I213 HydrophobicContact CZ-CD1 3.5Å
45V98.9Very high97.5Very high0 Ų046.2 Ų46.20%021%0.213CC..EExtended strand (participates in β ladder)trans-130.4134.2178.6-173.80000109V43 F71 V81 L85 V98 V99 L100 W101V43-V45 HydrophobicContact CG1-CG2 3.84Å; V45-F71 HydrophobicContact CG2-CB 4.43Å; V45-V81 HydrophobicContact CG1-CG1 3.52Å; V45-L85 HydrophobicContact CG1-CD1 4.21Å; V45-L85 HydrophobicContact CG1-CD2 3.86Å; V45-L85 HydrophobicContact CG1-CG 4.27Å; V45-L85 HydrophobicContact CG2-CD2 3.98Å; V45-V98 HydrophobicContact CG2-CG1 4.21Å; V45-V99 PolarHBondContact N-O 3.48Å; V45-L100 WeakPolarHBondContact O-CA 3.44Å; V45-W101 PolarHBondContact O-N 3.07Å
46G98.8Very high97.5Very high0 Ų048.8 Ų48.80%022%0.224CC..EExtended strand (participates in β ladder)trans166-150.9174.900000114.8G72 I73 R84 W101G46-G72 WeakPolarHBondContact O-CA 3.46Å; G46-I73 PolarHBondContact O-N 3.45Å; G46-I73 VanDerWaalsContact O-N 3.08Å; G46-R84 PolarHBondContact O-NH2 3.17Å; G46-W101 WeakPolarHBondContact CA-O 3.4Å
47D98.8Very high97.5Very high1 Ų144.7 Ų44.71%0.00522%0.222CC..SBendtrans-93.8-156.5-17767.842.4000113.3L49 V50 Q51 I73 D76 W101D47-L49 PolarHBondContact O-N 3.01Å; D47-L49 WeakPolarHBondContact OD1-CB 3.32Å; D47-L49 PolarHBondContact OD1-N 3.11Å; D47-V50 PolarHBondContact O-N 3.17Å; D47-V50 VanDerWaalsContact O-N 3.14Å; D47-Q51 PolarHBondContact O-N 3.29Å; D47-I73 CarbonylContact C-O 3.49Å; D47-I73 VanDerWaalsContact CA-O 3.28Å; D47-I73 WeakPolarHBondContact CA-O 3.39Å; D47-D76 HydrophobicContact CB-CB 4.4Å; D47-D76 WeakPolarHBondContact CB-O 3.35Å; D47-W101 PolarHBondContact N-O 3Å; D47-W101 VanDerWaalsContact N-O 3.15Å
48S98.8Very high97.5Very high7 Ų738.8 Ų38.85%0.04920%0.195CC..Hα-helixtrans-53.3-33.8175.237.40000113.8V50 Q51 L52 H196S48-V50 VanDerWaalsContact C-N 3.28Å; S48-V50 PolarHBondContact O-N 3.01Å; S48-Q51 PolarHBondContact O-N 3Å; S48-L52 VanDerWaalsContact O-CB 3.27Å; S48-L52 WeakPolarHBondContact O-CB 3.36Å; S48-L52 VanDerWaalsContact O-CG 3.28Å; S48-L52 WeakPolarHBondContact O-CG 3.46Å; S48-L52 PolarHBondContact O-N 3.1Å; S48-H196 PolarHBondContact OG-NE2 3.29Å
49L98.8Very high97.7Very high3 Ų333.4 Ų33.42%0.01618%0.175CC..Hα-helixtrans-66.5-33.7-179.9-67.1175000111.6D47 W101 L140 L197 Y202D47-L49 PolarHBondContact O-N 3.01Å; D47-L49 WeakPolarHBondContact OD1-CB 3.32Å; D47-L49 PolarHBondContact OD1-N 3.11Å; L49-W101 HydrophobicContact CB-CD2 4.02Å; L49-W101 HydrophobicContact CB-CE3 3.77Å; L49-W101 HydrophobicContact CB-CH2 4.15Å; L49-W101 HydrophobicContact CB-CZ2 4.38Å; L49-W101 HydrophobicContact CB-CZ3 3.84Å; L49-W101 HydrophobicContact CD1-CD2 4.35Å; L49-W101 HydrophobicContact CD1-CH2 4.38Å; L49-W101 HydrophobicContact CD1-CZ2 3.91Å; L49-L140 HydrophobicContact CD1-CD1 4.47Å; L49-L197 HydrophobicContact CD2-CG 4.32Å; L49-Y202 WeakPolarHBondContact CA-OH 3.32Å; L49-Y202 WeakPolarHBondContact O-CE1 3.22Å; L49-Y202 PolarHBondContact O-OH 3.34Å
50V98.8Very high97.7Very high0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-74.4-48171.4176.60000110.3F44 D47 S48 L52 M53 N70 W101F44-V50 HydrophobicContact CB-CG1 3.67Å; D47-V50 PolarHBondContact O-N 3.17Å; D47-V50 VanDerWaalsContact O-N 3.14Å; S48-V50 VanDerWaalsContact C-N 3.28Å; S48-V50 PolarHBondContact O-N 3.01Å; V50-L52 PolarHBondContact O-N 3.09Å; V50-M53 WeakPolarHBondContact O-CB 3.44Å; V50-M53 PolarHBondContact O-N 2.89Å; V50-N70 WeakPolarHBondContact CG1-OD1 3.38Å; V50-N70 PolarHBondContact O-ND2 3.33Å; V50-N70 PolarHBondContact O-OD1 3.42Å; V50-W101 HydrophobicContact CG2-CB 3.65Å; V50-W101 HydrophobicContact CG2-CE3 4.18Å; V50-W101 HydrophobicContact CG2-CG 4.5Å
51Q98.8Very high97.7Very high50 Ų5040.7 Ų40.723%0.23420%0.199CC..Hα-helixtrans-58.3-49.5-177-172-177.639.100112.3D47 S48 M53 H54 G72D47-Q51 PolarHBondContact O-N 3.29Å; S48-Q51 PolarHBondContact O-N 3Å; Q51-M53 VanDerWaalsContact C-N 3.32Å; Q51-M53 PolarHBondContact O-N 3.1Å; Q51-H54 WeakPolarHBondContact O-CB 3.19Å; Q51-H54 PolarHBondContact O-N 3.32Å; Q51-G72 WeakPolarHBondContact CB-O 3.34Å; Q51-G72 WeakPolarHBondContact CG-O 3.29Å
52L98.4Very high97.7Very high40 Ų4039.8 Ų39.821%0.20919%0.194CC..Hα-helixtrans-71.2-28.4-175.7-68.3175.8000111.9S48 V50 H54 Q55 F56 H196 Y202S48-L52 VanDerWaalsContact O-CB 3.27Å; S48-L52 WeakPolarHBondContact O-CB 3.36Å; S48-L52 VanDerWaalsContact O-CG 3.28Å; S48-L52 WeakPolarHBondContact O-CG 3.46Å; S48-L52 PolarHBondContact O-N 3.1Å; V50-L52 PolarHBondContact O-N 3.09Å; L52-H54 PolarHBondContact O-N 3.49Å; L52-H54 VanDerWaalsContact O-N 3.17Å; L52-Q55 WeakPolarHBondContact O-CB 3.42Å; L52-Q55 PolarHBondContact O-N 2.76Å; L52-F56 HydrophobicContact CB-CE2 4.49Å; L52-F56 WeakPolarHBondContact O-CD2 3.44Å; L52-H196 HydrophobicContact CD1-CB 4.1Å; L52-H196 VanDerWaalsContact CD1-CD2 3.46Å; L52-H196 WeakPolarHBondContact CD1-CD2 3.17Å; L52-Y202 HydrophobicContact CB-CE2 4.28Å; L52-Y202 WeakPolarHBondContact CB-OH 3.44Å
53M98.3Very high97.7Very high0 Ų039.8 Ų39.80%019%0.194CC..Hα-helixtrans-52.4-40.2174.6-169.1-170.6-67.400111.3F44 V50 Q51 Q55 F56 W59 F63 W101 Y202 L209F44-M53 HydrophobicContact CD1-SD 4.5Å; F44-M53 HydrophobicContact CE1-CE 4.49Å; F44-M53 HydrophobicContact CE1-SD 4.11Å; V50-M53 WeakPolarHBondContact O-CB 3.44Å; V50-M53 PolarHBondContact O-N 2.89Å; Q51-M53 VanDerWaalsContact C-N 3.32Å; Q51-M53 PolarHBondContact O-N 3.1Å; M53-Q55 PolarHBondContact O-N 3.24Å; M53-F56 PolarHBondContact O-N 3.37Å; M53-W59 HydrophobicContact CB-CE3 4.47Å; M53-W59 HydrophobicContact CG-CE3 4.01Å; M53-W59 WeakPolarHBondContact O-CB 3.43Å; M53-W59 HydrophobicContact SD-CE3 3.89Å; M53-W59 HydrophobicContact SD-CZ3 3.97Å; M53-F63 HydrophobicContact CG-CE2 4.31Å; M53-F63 HydrophobicContact SD-CD2 3.92Å; M53-F63 HydrophobicContact SD-CE2 3.47Å; M53-F63 WeakPolarHBondContact SD-CE2 3.47Å; M53-F63 HydrophobicContact SD-CZ 4.18Å; M53-W101 HydrophobicContact CE-CE3 4.17Å; M53-W101 HydrophobicContact CE-CZ3 3.68Å; M53-Y202 HydrophobicContact CB-CD1 4.16Å; M53-Y202 HydrophobicContact CB-CE1 3.6Å; M53-Y202 HydrophobicContact CE-CD1 4.46Å; M53-Y202 HydrophobicContact CE-CE1 4.18Å; M53-Y202 HydrophobicContact CG-CD1 3.97Å; M53-Y202 HydrophobicContact CG-CE1 3.91Å; M53-Y202 PolarHBondContact N-OH 2.91Å; M53-L209 HydrophobicContact CE-CD2 4.17Å
54H96.6Very high97.6Very high89 Ų8942.2 Ų42.241%0.41221%0.211SC..THydrogen-bonded Turntrans-63.4-24.6178.1-169.867.5000113.9Q51 L52 W59 N70Q51-H54 WeakPolarHBondContact O-CB 3.19Å; Q51-H54 PolarHBondContact O-N 3.32Å; L52-H54 PolarHBondContact O-N 3.49Å; L52-H54 VanDerWaalsContact O-N 3.17Å; H54-W59 HydrophobicContact CB-CD2 4.34Å; H54-W59 HydrophobicContact CB-CG 4.48Å; H54-W59 AromaticContact CE1-CD1 3.69Å; H54-W59 AromaticContact CE1-NE1 3.43Å; H54-W59 PolarHBondContact CE1-NE1 3.35Å; H54-W59 AromaticContact ND1-CD1 3.21Å; H54-W59 AromaticContact ND1-CD2 3.62Å; H54-W59 AromaticContact ND1-CE2 3.27Å; H54-W59 VanDerWaalsContact ND1-CE2 3.27Å; H54-W59 AromaticContact ND1-CG 3.61Å; H54-W59 AromaticContact ND1-CZ2 3.94Å; H54-W59 AromaticContact ND1-NE1 3.01Å; H54-W59 PolarHBondContact ND1-NE1 3.04Å; H54-N70 HydrophobicContact CB-CB 4.44Å
55Q94.9Very high97.5Very high140 Ų14046.2 Ų46.265%0.65424%0.237SC*.THydrogen-bonded Turntrans-82.2-16.7-177.6-56.2-60.3-39.100113L52 M53L52-Q55 WeakPolarHBondContact O-CB 3.42Å; L52-Q55 PolarHBondContact O-N 2.76Å; M53-Q55 PolarHBondContact O-N 3.24Å
56F95.4Very high97.4Very high56 Ų5647.4 Ų47.425%0.24624%0.244CC..SBendtrans-91.8149.9178.4-69.3-82.5000111.8L52 M53 I58 W59 A199 Y202L52-F56 HydrophobicContact CB-CE2 4.49Å; L52-F56 WeakPolarHBondContact O-CD2 3.44Å; M53-F56 PolarHBondContact O-N 3.37Å; F56-I58 HydrophobicContact CB-CG2 3.97Å; F56-I58 PolarHBondContact O-N 3.07Å; F56-W59 PolarHBondContact O-N 2.99Å; F56-A199 HydrophobicContact CD1-CB 3.7Å; F56-A199 HydrophobicContact CE1-CB 3.86Å; F56-Y202 AromaticContact CD2-CD2 3.36Å; F56-Y202 HydrophobicContact CD2-CD2 3.36Å; F56-Y202 AromaticContact CD2-CE2 3.55Å; F56-Y202 HydrophobicContact CD2-CE2 3.55Å; F56-Y202 HydrophobicContact CD2-CG 4.27Å; F56-Y202 AromaticContact CE2-CD2 3.44Å; F56-Y202 HydrophobicContact CE2-CD2 3.44Å; F56-Y202 VanDerWaalsContact CE2-CD2 3.44Å; F56-Y202 AromaticContact CE2-CE2 3.37Å; F56-Y202 HydrophobicContact CE2-CE2 3.37Å; F56-Y202 HydrophobicContact CG-CD2 4.1Å; F56-Y202 HydrophobicContact CZ-CD2 4.2Å; F56-Y202 HydrophobicContact CZ-CE2 4.35Å
57G94.7Very high97.3Very high57 Ų5752.7 Ų52.759%0.58827%0.268SS*.Hα-helixtrans-56.7-26.2-179.900000114W59 R60 Q61G57-W59 PolarHBondContact O-N 3.44Å; G57-R60 PolarHBondContact O-N 3.11Å; G57-R60 VanDerWaalsContact O-N 3.13Å; G57-Q61 PolarHBondContact O-N 3.36Å
58I95.8Very high97.3Very high20 Ų2053 Ų5310%0.10327%0.27CS..Hα-helixtrans-57.7-32.2177.2-162.364.1000112.7F56 Q61 L62 C206F56-I58 HydrophobicContact CB-CG2 3.97Å; F56-I58 PolarHBondContact O-N 3.07Å; I58-Q61 PolarHBondContact O-N 3.29Å; I58-L62 HydrophobicContact CD1-CD1 3.61Å; I58-L62 HydrophobicContact CD1-CG 3.94Å; I58-L62 HydrophobicContact CG1-CD1 3.84Å; I58-L62 HydrophobicContact CG1-CG 4.27Å; I58-L62 PolarHBondContact O-N 3.36Å; I58-C206 HydrophobicContact CG1-CB 3.74Å
59W98.1Very high97.2Very high5 Ų552.8 Ų52.82%0.01927%0.268CS..Iπ-helixtrans-65.5-43.8177.2178.3-84.8000112.4F44 M53 H54 F56 G57 Q61 F63 S64 C68 N70F44-W59 HydrophobicContact CB-CH2 4.4Å; F44-W59 HydrophobicContact CD1-CZ3 4.25Å; F44-W59 AromaticContact CD2-CH2 3.59Å; F44-W59 HydrophobicContact CD2-CH2 3.59Å; F44-W59 AromaticContact CD2-CZ3 3.95Å; F44-W59 HydrophobicContact CD2-CZ3 3.95Å; F44-W59 HydrophobicContact CE1-CZ3 4.36Å; F44-W59 AromaticContact CE2-CH2 3.95Å; F44-W59 HydrophobicContact CE2-CH2 3.95Å; F44-W59 HydrophobicContact CE2-CZ3 4.08Å; F44-W59 AromaticContact CG-CH2 3.98Å; F44-W59 HydrophobicContact CG-CH2 3.98Å; F44-W59 HydrophobicContact CG-CZ3 4.04Å; F44-W59 HydrophobicContact CZ-CZ3 4.27Å; M53-W59 HydrophobicContact CB-CE3 4.47Å; M53-W59 HydrophobicContact CG-CE3 4.01Å; M53-W59 WeakPolarHBondContact O-CB 3.43Å; M53-W59 HydrophobicContact SD-CE3 3.89Å; M53-W59 HydrophobicContact SD-CZ3 3.97Å; H54-W59 HydrophobicContact CB-CD2 4.34Å; H54-W59 HydrophobicContact CB-CG 4.48Å; H54-W59 AromaticContact CE1-CD1 3.69Å; H54-W59 AromaticContact CE1-NE1 3.43Å; H54-W59 PolarHBondContact CE1-NE1 3.35Å; H54-W59 AromaticContact ND1-CD1 3.21Å; H54-W59 AromaticContact ND1-CD2 3.62Å; H54-W59 AromaticContact ND1-CE2 3.27Å; H54-W59 VanDerWaalsContact ND1-CE2 3.27Å; H54-W59 AromaticContact ND1-CG 3.61Å; H54-W59 AromaticContact ND1-CZ2 3.94Å; H54-W59 AromaticContact ND1-NE1 3.01Å; H54-W59 PolarHBondContact ND1-NE1 3.04Å; F56-W59 PolarHBondContact O-N 2.99Å; G57-W59 PolarHBondContact O-N 3.44Å; W59-Q61 PolarHBondContact O-N 2.93Å; W59-F63 HydrophobicContact CD2-CB 3.89Å; W59-F63 HydrophobicContact CD2-CD2 4.13Å; W59-F63 HydrophobicContact CD2-CG 4.47Å; W59-F63 HydrophobicContact CE3-CB 3.88Å; W59-F63 AromaticContact CE3-CD2 3.54Å; W59-F63 HydrophobicContact CE3-CD2 3.54Å; W59-F63 HydrophobicContact CE3-CE2 4.47Å; W59-F63 HydrophobicContact CE3-CG 4.04Å; W59-F63 HydrophobicContact CG-CB 4.47Å; W59-F63 HydrophobicContact CH2-CB 4.22Å; W59-F63 HydrophobicContact CZ2-CB 4.24Å; W59-F63 HydrophobicContact CZ3-CB 4.05Å; W59-F63 HydrophobicContact CZ3-CD2 4.01Å; W59-F63 HydrophobicContact CZ3-CG 4.19Å; W59-F63 PolarHBondContact O-N 3.48Å; W59-S64 VanDerWaalsContact CD1-OG 3.27Å; W59-S64 PolarHBondContact NE1-OG 2.93Å; W59-S64 PolarHBondContact O-N 2.91Å; W59-S64 PolarHBondContact O-OG 3.01Å; W59-C68 HydrophobicContact CH2-CB 3.83Å; W59-C68 HydrophobicContact CZ2-CB 3.6Å; W59-N70 HydrophobicContact CH2-CB 3.7Å; W59-N70 HydrophobicContact CZ2-CB 3.89Å; W59-N70 HydrophobicContact CZ3-CB 4.36Å; W59-N70 WeakPolarHBondContact CZ3-ND2 3.28Å
60R96.9Very high97.2Very high206 Ų20653.5 Ų53.578%0.77727%0.272SS*.Iπ-helixtrans-64.7-34.5177.2-67.8-173.2178.9-147.2-0.2111.5G57 S64G57-R60 PolarHBondContact O-N 3.11Å; G57-R60 VanDerWaalsContact O-N 3.13Å; R60-S64 WeakPolarHBondContact CA-OG 3.22Å
61Q97.3Very high97.2Very high137 Ų13753.5 Ų53.564%0.6427%0.272SS*.Iπ-helixtrans-74.2-47-179.5-175-179.3-600112.9G57 I58 W59G57-Q61 PolarHBondContact O-N 3.36Å; I58-Q61 PolarHBondContact O-N 3.29Å; W59-Q61 PolarHBondContact O-N 2.93Å
62L98.1Very high97.2Very high23 Ų2351.1 Ų51.112%0.1226%0.262CS..Iπ-helixtrans-103.1-42.5-168.8-62.2-174.5000114I58 C206 H210I58-L62 HydrophobicContact CD1-CD1 3.61Å; I58-L62 HydrophobicContact CD1-CG 3.94Å; I58-L62 HydrophobicContact CG1-CD1 3.84Å; I58-L62 HydrophobicContact CG1-CG 4.27Å; I58-L62 PolarHBondContact O-N 3.36Å; L62-C206 HydrophobicContact CD1-CB 4.03Å; L62-H210 HydrophobicContact CB-CB 4.24Å; L62-H210 HydrophobicContact CD1-CB 4.05Å; L62-H210 PolarHBondContact O-CD2 3.35Å; L62-H210 PolarHBondContact O-NE2 2.94Å
63F98.1Very high97.2Very high0 Ų049.4 Ų49.40%025%0.252CS..Iπ-helixtrans-101.5-31.2-167.9-57.4-58.9000113.3F44 M53 W59 P65 L66 C68 C206 L209 H210 I213F44-F63 HydrophobicContact CE2-CD1 4.22Å; F44-F63 HydrophobicContact CE2-CG 4.45Å; F44-F63 AromaticContact CZ-CD1 3.7Å; F44-F63 HydrophobicContact CZ-CD1 3.7Å; F44-F63 AromaticContact CZ-CE1 3.86Å; F44-F63 HydrophobicContact CZ-CE1 3.86Å; F44-F63 HydrophobicContact CZ-CG 4.1Å; F44-F63 HydrophobicContact CZ-CZ 4.39Å; M53-F63 HydrophobicContact CG-CE2 4.31Å; M53-F63 HydrophobicContact SD-CD2 3.92Å; M53-F63 HydrophobicContact SD-CE2 3.47Å; M53-F63 WeakPolarHBondContact SD-CE2 3.47Å; M53-F63 HydrophobicContact SD-CZ 4.18Å; W59-F63 HydrophobicContact CD2-CB 3.89Å; W59-F63 HydrophobicContact CD2-CD2 4.13Å; W59-F63 HydrophobicContact CD2-CG 4.47Å; W59-F63 HydrophobicContact CE3-CB 3.88Å; W59-F63 AromaticContact CE3-CD2 3.54Å; W59-F63 HydrophobicContact CE3-CD2 3.54Å; W59-F63 HydrophobicContact CE3-CE2 4.47Å; W59-F63 HydrophobicContact CE3-CG 4.04Å; W59-F63 HydrophobicContact CG-CB 4.47Å; W59-F63 HydrophobicContact CH2-CB 4.22Å; W59-F63 HydrophobicContact CZ2-CB 4.24Å; W59-F63 HydrophobicContact CZ3-CB 4.05Å; W59-F63 HydrophobicContact CZ3-CD2 4.01Å; W59-F63 HydrophobicContact CZ3-CG 4.19Å; W59-F63 PolarHBondContact O-N 3.48Å; F63-P65 VanDerWaalsContact C-CD 3.49Å; F63-L66 WeakPolarHBondContact O-CB 3.48Å; F63-L66 PolarHBondContact O-N 3.46Å; F63-C68 HydrophobicContact CB-CB 4.45Å; F63-C68 PolarHBondContact O-SG 3.48Å; F63-C206 HydrophobicContact CE2-CB 3.82Å; F63-C206 HydrophobicContact CZ-CB 3.84Å; F63-L209 HydrophobicContact CE1-CG 4.44Å; F63-L209 HydrophobicContact CZ-CD2 4.18Å; F63-L209 HydrophobicContact CZ-CG 4.33Å; F63-H210 HydrophobicContact CE1-CB 3.87Å; F63-H210 HydrophobicContact CZ-CB 4.32Å; F63-I213 HydrophobicContact CD1-CD1 4.37Å; F63-I213 HydrophobicContact CE1-CD1 3.97Å
64S95.9Very high97.3Very high51 Ų5151.1 Ų51.136%0.35727%0.27SS..G310 helixtrans-58.5-38.9176.5-59.50000113.7W59 R60 L66 H67W59-S64 VanDerWaalsContact CD1-OG 3.27Å; W59-S64 PolarHBondContact NE1-OG 2.93Å; W59-S64 PolarHBondContact O-N 2.91Å; W59-S64 PolarHBondContact O-OG 3.01Å; R60-S64 WeakPolarHBondContact CA-OG 3.22Å; S64-L66 PolarHBondContact O-N 3.4Å; S64-H67 PolarHBondContact O-N 3.43Å
65P97.5Very high97.3Very high85 Ų8549 Ų4955%0.55227%0.272SS*.G310 helixtrans-65.2-15.9174.2-22.935.6000115F63 H67F63-P65 VanDerWaalsContact C-CD 3.49Å; P65-H67 VanDerWaalsContact C-N 3.31Å
66L97.2Very high97.5Very high26 Ų2642.3 Ų42.314%0.13624%0.241CC..G310 helixtrans-93.214.3178-54.9-177.6000112.6V42 F63 S64 C68 I213 K214 L217V42-L66 HydrophobicContact CG2-CB 4.49Å; F63-L66 WeakPolarHBondContact O-CB 3.48Å; F63-L66 PolarHBondContact O-N 3.46Å; S64-L66 PolarHBondContact O-N 3.4Å; L66-C68 VanDerWaalsContact C-N 3.33Å; L66-C68 PolarHBondContact O-N 3.23Å; L66-I213 HydrophobicContact CD1-CG2 3.92Å; L66-K214 HydrophobicContact CD1-CG 4.5Å; L66-K214 HydrophobicContact CD2-CG 4.32Å; L66-L217 HydrophobicContact CB-CD1 4.47Å; L66-L217 HydrophobicContact CD1-CD1 4.33Å; L66-L217 HydrophobicContact CD2-CD1 4.14Å
67H96.6Very high97.7Very high111 Ų11139.8 Ų39.851%0.51423%0.23SC..THydrogen-bonded Turntrans54.544.2-179.5-53.5154.4000113.6P40 D41 S64 P65P40-H67 VanDerWaalsContact CA-O 3.26Å; P40-H67 WeakPolarHBondContact CA-O 3.24Å; P40-H67 VanDerWaalsContact CB-O 3.24Å; P40-H67 WeakPolarHBondContact CB-O 3.26Å; D41-H67 PolarHBondContact N-O 3.35Å; D41-H67 IonicContact OD2-CG 2.75Å; D41-H67 IonicContact OD2-ND1 2.64Å; D41-H67 PolarHBondContact OD2-ND1 3.23Å; D41-H67 VanDerWaalsContact OD2-ND1 3.09Å; S64-H67 PolarHBondContact O-N 3.43Å; P65-H67 VanDerWaalsContact C-N 3.31Å
68C97.7Very high97.9Very high8 Ų837 Ų375%0.05420%0.202CC..EExtended strand (participates in β ladder)trans-77.7147.4-176.8-60.40000114.2V42 F44 W59 F63 L66V42-C68 HydrophobicContact CB-CB 4.5Å; V42-C68 CarbonylContact O-C 3.57Å; V42-C68 VanDerWaalsContact O-CA 3.22Å; V42-C68 WeakPolarHBondContact O-CA 3.41Å; F44-C68 HydrophobicContact CD2-CB 4.26Å; F44-C68 HydrophobicContact CE2-CB 4.2Å; W59-C68 HydrophobicContact CH2-CB 3.83Å; W59-C68 HydrophobicContact CZ2-CB 3.6Å; F63-C68 HydrophobicContact CB-CB 4.45Å; F63-C68 PolarHBondContact O-SG 3.48Å; L66-C68 VanDerWaalsContact C-N 3.33Å; L66-C68 PolarHBondContact O-N 3.23Å
69L98.3Very high98Very high1 Ų137.4 Ų37.41%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-102.7152.7154.3-62.4-176.5000111.1E34 R38 P40 V42 V43 F44 F71E34-L69 HydrophobicContact CB-CD1 4.35Å; R38-L69 HydrophobicContact CB-CD2 4.44Å; P40-L69 HydrophobicContact CB-CD1 4.25Å; P40-L69 HydrophobicContact CB-CG 3.86Å; P40-L69 HydrophobicContact CG-CD1 3.73Å; P40-L69 HydrophobicContact CG-CG 3.91Å; V42-L69 PolarHBondContact O-N 3.09Å; V43-L69 HydrophobicContact CG1-CB 4.48Å; V43-L69 HydrophobicContact CG2-CB 4.35Å; F44-L69 PolarHBondContact N-O 2.98Å; L69-F71 HydrophobicContact CB-CD1 4.34Å; L69-F71 HydrophobicContact CB-CE1 3.79Å; L69-F71 HydrophobicContact CB-CZ 3.91Å; L69-F71 HydrophobicContact CD1-CE1 3.89Å; L69-F71 HydrophobicContact CD1-CE2 4.29Å; L69-F71 HydrophobicContact CD1-CZ 3.41Å; L69-F71 VanDerWaalsContact CD1-CZ 3.41Å; L69-F71 HydrophobicContact CG-CE1 4.33Å; L69-F71 HydrophobicContact CG-CZ 4.24Å
70N98.7Very high98.1Very high18 Ų1838.7 Ų38.710%0.09621%0.209CC..EExtended strand (participates in β ladder)trans-126.7104.4178.1-172.9-56.8000110.5F31 V50 H54 W59 G72F31-N70 WeakPolarHBondContact CE1-O 3.41Å; F31-N70 WeakPolarHBondContact CZ-O 3.37Å; V50-N70 WeakPolarHBondContact CG1-OD1 3.38Å; V50-N70 PolarHBondContact O-ND2 3.33Å; V50-N70 PolarHBondContact O-OD1 3.42Å; H54-N70 HydrophobicContact CB-CB 4.44Å; W59-N70 HydrophobicContact CH2-CB 3.7Å; W59-N70 HydrophobicContact CZ2-CB 3.89Å; W59-N70 HydrophobicContact CZ3-CB 4.36Å; W59-N70 WeakPolarHBondContact CZ3-ND2 3.28Å; N70-G72 PolarHBondContact OD1-N 3.09Å; N70-G72 VanDerWaalsContact OD1-N 3.09Å
71F98.8Very high98.2Very high0 Ų028.9 Ų28.90%017%0.172CC..EExtended strand (participates in β ladder)trans-104.842.7179.1-57.9-19.4000111.4F31 E34 C35 V43 F44 V45 L69 R84 E89F31-F71 HydrophobicContact CB-CD1 3.63Å; F31-F71 HydrophobicContact CB-CE1 3.66Å; F31-F71 HydrophobicContact CB-CG 4.06Å; F31-F71 HydrophobicContact CB-CZ 4.13Å; F31-F71 AromaticContact CD1-CD1 3.23Å; F31-F71 HydrophobicContact CD1-CD1 3.23Å; F31-F71 AromaticContact CD1-CE1 3.63Å; F31-F71 HydrophobicContact CD1-CE1 3.63Å; F31-F71 HydrophobicContact CD1-CG 4.17Å; F31-F71 HydrophobicContact CD2-CB 3.97Å; F31-F71 HydrophobicContact CD2-CD1 4.02Å; F31-F71 HydrophobicContact CD2-CG 4.17Å; F31-F71 AromaticContact CE1-CD1 3.74Å; F31-F71 HydrophobicContact CE1-CD1 3.74Å; F31-F71 HydrophobicContact CE1-CE1 4.45Å; F31-F71 HydrophobicContact CE2-CB 4.1Å; F31-F71 HydrophobicContact CE2-CD1 4.47Å; F31-F71 HydrophobicContact CG-CB 4.22Å; F31-F71 AromaticContact CG-CD1 3.37Å; F31-F71 HydrophobicContact CG-CD1 3.37Å; F31-F71 AromaticContact CG-CE1 3.84Å; F31-F71 HydrophobicContact CG-CE1 3.84Å; F31-F71 AromaticContact CG-CG 3.91Å; F31-F71 HydrophobicContact CG-CG 3.91Å; F31-F71 HydrophobicContact CZ-CB 4.45Å; F31-F71 HydrophobicContact CZ-CD1 4.35Å; E34-F71 HydrophobicContact CB-CE1 4.37Å; C35-F71 VanDerWaalsContact SG-CE2 3.53Å; C35-F71 WeakPolarHBondContact SG-CZ 3.16Å; V43-F71 HydrophobicContact CG1-CD2 3.57Å; V43-F71 HydrophobicContact CG1-CE2 3.77Å; V43-F71 HydrophobicContact CG1-CG 4.28Å; F44-F71 WeakPolarHBondContact O-CA 3.13Å; F44-F71 PolarHBondContact O-N 3.18Å; V45-F71 HydrophobicContact CG2-CB 4.43Å; L69-F71 HydrophobicContact CB-CD1 4.34Å; L69-F71 HydrophobicContact CB-CE1 3.79Å; L69-F71 HydrophobicContact CB-CZ 3.91Å; L69-F71 HydrophobicContact CD1-CE1 3.89Å; L69-F71 HydrophobicContact CD1-CE2 4.29Å; L69-F71 HydrophobicContact CD1-CZ 3.41Å; L69-F71 VanDerWaalsContact CD1-CZ 3.41Å; L69-F71 HydrophobicContact CG-CE1 4.33Å; L69-F71 HydrophobicContact CG-CZ 4.24Å; F71-R84 PolarHBondContact O-NH1 2.99Å; F71-R84 PolarHBondContact O-NH2 3.46Å; F71-E89 HydrophobicContact CD2-CB 4.25Å; F71-E89 HydrophobicContact CE2-CB 4.4Å; F71-E89 VanDerWaalsContact CE2-O 3.31Å; F71-E89 WeakPolarHBondContact CE2-O 3.46Å
72G98.8Very high98.2Very high1 Ų122.6 Ų22.61%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-81.4132.4171.700000111.9G46 Q51 N70G46-G72 WeakPolarHBondContact O-CA 3.46Å; Q51-G72 WeakPolarHBondContact CB-O 3.34Å; Q51-G72 WeakPolarHBondContact CG-O 3.29Å; N70-G72 PolarHBondContact OD1-N 3.09Å; N70-G72 VanDerWaalsContact OD1-N 3.09Å
73I98.9Very high98.3Very high3 Ų323.6 Ų23.62%0.01515%0.146CC..  trans-127.3123.2170.1-55.7-173000109.8Q27 F31 G46 D47 G75 D76Q27-I73 HydrophobicContact CB-CD1 3.86Å; Q27-I73 HydrophobicContact CB-CG1 4.37Å; F31-I73 HydrophobicContact CD2-CD1 4.44Å; F31-I73 HydrophobicContact CE2-CD1 3.89Å; F31-I73 HydrophobicContact CE2-CG1 3.64Å; F31-I73 HydrophobicContact CZ-CG1 4.39Å; G46-I73 PolarHBondContact O-N 3.45Å; G46-I73 VanDerWaalsContact O-N 3.08Å; D47-I73 CarbonylContact C-O 3.49Å; D47-I73 VanDerWaalsContact CA-O 3.28Å; D47-I73 WeakPolarHBondContact CA-O 3.39Å; I73-G75 PolarHBondContact O-N 3.37Å; I73-D76 WeakPolarHBondContact O-CB 3.34Å; I73-D76 PolarHBondContact O-N 3.21Å
74G98.7Very high98.3Very high36 Ų3623.6 Ų23.637%0.37115%0.146SC..THydrogen-bonded Turntrans-57130.7177.400000112.8D76G74-D76 VanDerWaalsContact C-N 3.34Å
75G98Very high98.5Very high44 Ų4421.2 Ų21.245%0.45413%0.129SC..THydrogen-bonded Turntrans86.4-4.9-179.400000115.2I73 A77I73-G75 PolarHBondContact O-N 3.37Å; G75-A77 PolarHBondContact O-N 2.78Å
76D98.8Very high98.5Very high1 Ų120 Ų201%0.00512%0.12CC..  trans-60.3138176.9-92.812.7000112W24 D47 I73 G74 H80 V81 R84 N105W24-D76 PolarHBondContact NE1-OD1 3.03Å; D47-D76 HydrophobicContact CB-CB 4.4Å; D47-D76 WeakPolarHBondContact CB-O 3.35Å; I73-D76 WeakPolarHBondContact O-CB 3.34Å; I73-D76 PolarHBondContact O-N 3.21Å; G74-D76 VanDerWaalsContact C-N 3.34Å; D76-H80 HydrophobicContact CB-CB 4.25Å; D76-H80 IonicContact OD1-ND1 3.74Å; D76-V81 HydrophobicContact CB-CG2 4.12Å; D76-R84 IonicContact OD2-CZ 3.76Å; D76-R84 IonicContact OD2-NE 3.77Å; D76-R84 PolarHBondContact OD2-NE 3.32Å; D76-R84 IonicContact OD2-NH2 3.09Å; D76-R84 PolarHBondContact OD2-NH2 2.94Å; D76-N105 WeakPolarHBondContact O-CB 3.44Å; D76-N105 PolarHBondContact O-ND2 3.22Å
77A98.9Very high98.6Very high2 Ų222.2 Ų22.22%0.01713%0.132CC..  trans-107.6170.516800000108.5G75 Q79 H80 V81 N106G75-A77 PolarHBondContact O-N 2.78Å; A77-Q79 VanDerWaalsContact C-N 3.29Å; A77-Q79 PolarHBondContact O-N 3.18Å; A77-H80 PolarHBondContact N-ND1 2.89Å; A77-H80 WeakPolarHBondContact O-CB 3.35Å; A77-H80 PolarHBondContact O-N 2.83Å; A77-V81 PolarHBondContact O-N 3.3Å; A77-V81 VanDerWaalsContact O-N 3.17Å; A77-N106 WeakPolarHBondContact CA-OD1 3.34Å; A77-N106 WeakPolarHBondContact CB-OD1 3.37Å
78T98.9Very high98.6Very high0 Ų017.2 Ų17.20%011%0.11CC..Hα-helixtrans-52.5-43.9-176.7530000113.2A9 H80 V81 L82 V102 N106 I118 I121A9-T78 WeakPolarHBondContact O-CB 3.44Å; A9-T78 PolarHBondContact O-OG1 2.74Å; T78-H80 VanDerWaalsContact C-N 3.27Å; T78-H80 PolarHBondContact O-N 2.75Å; T78-V81 PolarHBondContact O-N 3.45Å; T78-L82 WeakPolarHBondContact O-CB 3.29Å; T78-L82 PolarHBondContact O-N 2.81Å; T78-V102 HydrophobicContact CG2-CG1 4.02Å; T78-V102 HydrophobicContact CG2-CG2 4.31Å; T78-N106 PolarHBondContact N-OD1 3.08Å; T78-N106 PolarHBondContact OG1-ND2 2.82Å; T78-I118 HydrophobicContact CG2-CG1 3.83Å; T78-I121 HydrophobicContact CG2-CD1 4.27Å
79Q98.8Very high98.7Very high28 Ų2816.8 Ų16.813%0.13111%0.108CC..Hα-helixtrans-64.3-29.8-179.867.6-79.86.700113.9A9 T11 T13 A77 W83 N106A9-Q79 PolarHBondContact O-N 2.89Å; T11-Q79 WeakPolarHBondContact O-CB 3.23Å; T13-Q79 PolarHBondContact N-O 2.82Å; T13-Q79 VanDerWaalsContact N-O 3.1Å; A77-Q79 VanDerWaalsContact C-N 3.29Å; A77-Q79 PolarHBondContact O-N 3.18Å; Q79-W83 PolarHBondContact O-N 3.01Å; Q79-W83 VanDerWaalsContact O-N 3.1Å; Q79-N106 PolarHBondContact OE1-ND2 3.24Å
80H98.9Very high98.6Very high31 Ų3117 Ų1714%0.14411%0.108CC..Hα-helixtrans-73.9-45.7177.4-53152.5000110.4T13 W24 D76 A77 T78 L82 W83 R84T13-H80 WeakPolarHBondContact O-CA 3.35Å; T13-H80 PolarHBondContact O-CD2 2.93Å; W24-H80 HydrophobicContact CZ2-CB 4.13Å; D76-H80 HydrophobicContact CB-CB 4.25Å; D76-H80 IonicContact OD1-ND1 3.74Å; A77-H80 PolarHBondContact N-ND1 2.89Å; A77-H80 WeakPolarHBondContact O-CB 3.35Å; A77-H80 PolarHBondContact O-N 2.83Å; T78-H80 VanDerWaalsContact C-N 3.27Å; T78-H80 PolarHBondContact O-N 2.75Å; H80-L82 VanDerWaalsContact C-N 3.33Å; H80-L82 PolarHBondContact O-N 3.2Å; H80-W83 PolarHBondContact O-N 3.02Å; H80-R84 WeakPolarHBondContact O-CG 3.32Å; H80-R84 PolarHBondContact O-N 3.21Å
81V98.9Very high98.5Very high0 Ų019.1 Ų19.10%012%0.12CC..Hα-helixtrans-58.5-47.7174174.50000110.4V45 D76 A77 T78 W83 R84 L85 L100 V102 I121V45-V81 HydrophobicContact CG1-CG1 3.52Å; D76-V81 HydrophobicContact CB-CG2 4.12Å; A77-V81 PolarHBondContact O-N 3.3Å; A77-V81 VanDerWaalsContact O-N 3.17Å; T78-V81 PolarHBondContact O-N 3.45Å; V81-W83 VanDerWaalsContact C-N 3.29Å; V81-W83 PolarHBondContact O-N 2.63Å; V81-R84 PolarHBondContact O-N 3.27Å; V81-R84 VanDerWaalsContact O-N 3.11Å; V81-L85 HydrophobicContact CG1-CD1 3.82Å; V81-L85 HydrophobicContact CG1-CG 4.19Å; V81-L85 WeakPolarHBondContact O-CG 3.44Å; V81-L85 PolarHBondContact O-N 3.45Å; V81-L100 HydrophobicContact CG1-CD1 4.27Å; V81-V102 HydrophobicContact CG2-CB 4.21Å; V81-V102 HydrophobicContact CG2-CG2 3.79Å; V81-I121 HydrophobicContact CB-CD1 3.98Å; V81-I121 HydrophobicContact CG1-CD1 3.89Å; V81-I121 HydrophobicContact CG1-CG1 4.39Å; V81-I121 HydrophobicContact CG1-CG2 4.27Å
82L98.8Very high98.4Very high5 Ų525.1 Ų25.13%0.02615%0.152CC..Hα-helixtrans-58.4-42.3179.4-169.868.9000111.8A10 P12 T78 H80 T86 E120 I121 L124A10-L82 WeakPolarHBondContact O-CD2 3.26Å; P12-L82 HydrophobicContact CB-CB 4.37Å; P12-L82 HydrophobicContact CB-CD2 4.07Å; P12-L82 HydrophobicContact CB-CG 4.03Å; P12-L82 HydrophobicContact CG-CD2 4.32Å; T78-L82 WeakPolarHBondContact O-CB 3.29Å; T78-L82 PolarHBondContact O-N 2.81Å; H80-L82 VanDerWaalsContact C-N 3.33Å; H80-L82 PolarHBondContact O-N 3.2Å; L82-T86 WeakPolarHBondContact O-CB 3.26Å; L82-T86 PolarHBondContact O-N 3.38Å; L82-T86 VanDerWaalsContact O-N 3.08Å; L82-T86 PolarHBondContact O-OG1 3.41Å; L82-E120 HydrophobicContact CD1-CB 4.45Å; L82-E120 HydrophobicContact CD1-CG 4.01Å; L82-E120 HydrophobicContact CD2-CB 4.39Å; L82-E120 HydrophobicContact CD2-CG 3.75Å; L82-I121 HydrophobicContact CB-CG1 4.01Å; L82-I121 HydrophobicContact CD1-CB 4.42Å; L82-I121 HydrophobicContact CD1-CG1 3.81Å; L82-I121 HydrophobicContact CG-CG1 4.49Å; L82-L124 HydrophobicContact CD1-CB 4.08Å; L82-L124 HydrophobicContact CD1-CD2 3.61Å; L82-L124 HydrophobicContact CD1-CG 4.48Å; L82-L124 HydrophobicContact CG-CD2 4.44Å
83W98.9Very high98.4Very high45 Ų4525.8 Ų25.817%0.1716%0.155CC..Hα-helixtrans-61.2-48.9173.9-172.193.5000111.6P12 P14 W24 M25 H28 Q79 H80 V81 L85 T86 N87P12-W83 HydrophobicContact CB-CB 4.14Å; P14-W83 HydrophobicContact CB-CD2 3.8Å; P14-W83 HydrophobicContact CB-CE3 4.25Å; P14-W83 HydrophobicContact CB-CG 4.17Å; P14-W83 HydrophobicContact CB-CH2 4.47Å; P14-W83 HydrophobicContact CB-CZ2 4.06Å; P14-W83 VanDerWaalsContact CD-CD1 3.48Å; P14-W83 HydrophobicContact CG-CD2 4.49Å; P14-W83 HydrophobicContact CG-CZ2 4.44Å; W24-W83 HydrophobicContact CH2-CD2 4.17Å; W24-W83 AromaticContact CH2-CE3 3.39Å; W24-W83 HydrophobicContact CH2-CE3 3.39Å; W24-W83 AromaticContact CH2-CZ3 3.69Å; W24-W83 HydrophobicContact CH2-CZ3 3.69Å; W24-W83 AromaticContact CZ3-CE3 3.88Å; W24-W83 HydrophobicContact CZ3-CE3 3.88Å; W24-W83 HydrophobicContact CZ3-CH2 4.36Å; W24-W83 AromaticContact CZ3-CZ3 3.69Å; W24-W83 HydrophobicContact CZ3-CZ3 3.69Å; M25-W83 HydrophobicContact CE-CH2 3.75Å; M25-W83 HydrophobicContact CE-CZ2 4.5Å; M25-W83 HydrophobicContact CE-CZ3 4.29Å; M25-W83 HydrophobicContact SD-CH2 4.25Å; H28-W83 AromaticContact CD2-CZ3 3.77Å; H28-W83 AromaticContact CE1-CZ3 3.98Å; H28-W83 AromaticContact NE2-CZ3 3.7Å; Q79-W83 PolarHBondContact O-N 3.01Å; Q79-W83 VanDerWaalsContact O-N 3.1Å; H80-W83 PolarHBondContact O-N 3.02Å; V81-W83 VanDerWaalsContact C-N 3.29Å; V81-W83 PolarHBondContact O-N 2.63Å; W83-L85 PolarHBondContact O-N 3.15Å; W83-T86 WeakPolarHBondContact O-CB 3.33Å; W83-T86 PolarHBondContact O-N 3.46Å; W83-N87 HydrophobicContact CD2-CB 4.46Å; W83-N87 VanDerWaalsContact CE2-ND2 3.29Å; W83-N87 HydrophobicContact CE3-CB 4.21Å; W83-N87 HydrophobicContact CH2-CB 4.1Å; W83-N87 HydrophobicContact CZ2-CB 4.33Å; W83-N87 HydrophobicContact CZ3-CB 4.04Å; W83-N87 PolarHBondContact NE1-ND2 3.45Å; W83-N87 WeakPolarHBondContact O-CB 3.3Å; W83-N87 PolarHBondContact O-N 2.92Å; W83-N87 PolarHBondContact O-ND2 3.16Å
84R98.9Very high98.3Very high0 Ų029.9 Ų29.90%018%0.184CC..Hα-helixtrans-58.7-46.9-178-76.2-169.6-60115.5-15.9113W24 G46 F71 D76 H80 V81 T86 N87 E89W24-R84 HydrophobicContact CH2-CG 3.78Å; W24-R84 HydrophobicContact CZ2-CG 3.61Å; G46-R84 PolarHBondContact O-NH2 3.17Å; F71-R84 PolarHBondContact O-NH1 2.99Å; F71-R84 PolarHBondContact O-NH2 3.46Å; D76-R84 IonicContact OD2-CZ 3.76Å; D76-R84 IonicContact OD2-NE 3.77Å; D76-R84 PolarHBondContact OD2-NE 3.32Å; D76-R84 IonicContact OD2-NH2 3.09Å; D76-R84 PolarHBondContact OD2-NH2 2.94Å; H80-R84 WeakPolarHBondContact O-CG 3.32Å; H80-R84 PolarHBondContact O-N 3.21Å; V81-R84 PolarHBondContact O-N 3.27Å; V81-R84 VanDerWaalsContact O-N 3.11Å; R84-T86 VanDerWaalsContact C-N 3.31Å; R84-T86 PolarHBondContact O-N 3.12Å; R84-N87 CarbonylContact O-C 3.45Å; R84-N87 PolarHBondContact O-N 3.24Å; R84-N87 VanDerWaalsContact O-N 3.12Å; R84-E89 HydrophobicContact CB-CG 4.47Å; R84-E89 WeakPolarHBondContact CB-OE1 3.47Å; R84-E89 VanDerWaalsContact CD-OE1 3.3Å; R84-E89 WeakPolarHBondContact CD-OE1 3.45Å; R84-E89 IonicContact CZ-OE2 3.63Å; R84-E89 IonicContact NH1-OE1 2.72Å; R84-E89 IonicContact NH1-OE2 3.19Å; R84-E89 PolarHBondContact NH1-OE2 2.85Å; R84-E89 PolarHBondContact O-N 3.25Å
85L98.8Very high98.3Very high0 Ų028.2 Ų28.20%017%0.167CC..Iπ-helixtrans-66.7-34.1179-61.4178.7000112.3V45 V81 W83 N87 E89 L90 I121 L124 I125 K128V45-L85 HydrophobicContact CG1-CD1 4.21Å; V45-L85 HydrophobicContact CG1-CD2 3.86Å; V45-L85 HydrophobicContact CG1-CG 4.27Å; V45-L85 HydrophobicContact CG2-CD2 3.98Å; V81-L85 HydrophobicContact CG1-CD1 3.82Å; V81-L85 HydrophobicContact CG1-CG 4.19Å; V81-L85 WeakPolarHBondContact O-CG 3.44Å; V81-L85 PolarHBondContact O-N 3.45Å; W83-L85 PolarHBondContact O-N 3.15Å; L85-N87 VanDerWaalsContact C-N 3.28Å; L85-N87 PolarHBondContact O-N 2.98Å; L85-E89 HydrophobicContact CD2-CB 4.23Å; L85-L90 HydrophobicContact CB-CD1 3.98Å; L85-L90 HydrophobicContact CB-CG 4.18Å; L85-L90 HydrophobicContact CD1-CD1 4.39Å; L85-L90 HydrophobicContact CD2-CD1 4.02Å; L85-L90 HydrophobicContact CD2-CD2 3.74Å; L85-L90 HydrophobicContact CD2-CG 3.66Å; L85-L90 HydrophobicContact CG-CD1 4.35Å; L85-L90 HydrophobicContact CG-CG 4.42Å; L85-I121 HydrophobicContact CD1-CG2 3.67Å; L85-L124 HydrophobicContact CB-CD2 3.68Å; L85-I125 HydrophobicContact CD1-CD1 4.26Å; L85-I125 HydrophobicContact CD1-CG1 4.07Å; L85-K128 WeakPolarHBondContact O-CE 3.17Å
86T98.6Very high98.3Very high61 Ų6131.5 Ų31.537%0.37417%0.169SC..Iπ-helixtrans-65.8-34.5173.1-58.40000111.4L82 W83 R84 G88 L124L82-T86 WeakPolarHBondContact O-CB 3.26Å; L82-T86 PolarHBondContact O-N 3.38Å; L82-T86 VanDerWaalsContact O-N 3.08Å; L82-T86 PolarHBondContact O-OG1 3.41Å; W83-T86 WeakPolarHBondContact O-CB 3.33Å; W83-T86 PolarHBondContact O-N 3.46Å; R84-T86 VanDerWaalsContact C-N 3.31Å; R84-T86 PolarHBondContact O-N 3.12Å; T86-G88 PolarHBondContact O-N 3.37Å; T86-L124 WeakPolarHBondContact OG1-CD2 3.49Å
87N98.7Very high98.3Very high71 Ų7131.4 Ų31.438%0.3817%0.168SC..Iπ-helixtrans-10034.5-172.6-69.8-87.1000113.6H28 W83 R84 L85H28-N87 PolarHBondContact CE1-O 2.98Å; H28-N87 VanDerWaalsContact CE1-O 3.23Å; H28-N87 PolarHBondContact NE2-O 3.45Å; W83-N87 HydrophobicContact CD2-CB 4.46Å; W83-N87 VanDerWaalsContact CE2-ND2 3.29Å; W83-N87 HydrophobicContact CE3-CB 4.21Å; W83-N87 HydrophobicContact CH2-CB 4.1Å; W83-N87 HydrophobicContact CZ2-CB 4.33Å; W83-N87 HydrophobicContact CZ3-CB 4.04Å; W83-N87 PolarHBondContact NE1-ND2 3.45Å; W83-N87 WeakPolarHBondContact O-CB 3.3Å; W83-N87 PolarHBondContact O-N 2.92Å; W83-N87 PolarHBondContact O-ND2 3.16Å; R84-N87 CarbonylContact O-C 3.45Å; R84-N87 PolarHBondContact O-N 3.24Å; R84-N87 VanDerWaalsContact O-N 3.12Å; L85-N87 VanDerWaalsContact C-N 3.28Å; L85-N87 PolarHBondContact O-N 2.98Å
88G97.8Very high98.3Very high6 Ų631.3 Ų31.36%0.06217%0.168CC..Iπ-helixtrans110.2-4.9160.700000116.8T86 L90 D91T86-G88 PolarHBondContact O-N 3.37Å; G88-L90 PolarHBondContact O-N 3.07Å; G88-L90 VanDerWaalsContact O-N 3.15Å; G88-D91 WeakPolarHBondContact CA-OD2 3.29Å; G88-D91 PolarHBondContact O-N 3.05Å
89E98.3Very high98.3Very high0 Ų031.3 Ų31.30%017%0.168CC..Iπ-helixtrans-72.6-2.1178.1-71.3-173.9-15900114.4H28 F31 V32 C35 F71 R84 L85H28-E89 IonicContact CE1-OE1 3.75Å; H28-E89 IonicContact CG-OE1 3.61Å; H28-E89 IonicContact ND1-OE1 2.73Å; H28-E89 PolarHBondContact ND1-OE1 2.73Å; F31-E89 HydrophobicContact CB-CG 3.91Å; V32-E89 HydrophobicContact CG2-CG 3.99Å; C35-E89 PolarHBondContact SG-O 3.14Å; F71-E89 HydrophobicContact CD2-CB 4.25Å; F71-E89 HydrophobicContact CE2-CB 4.4Å; F71-E89 VanDerWaalsContact CE2-O 3.31Å; F71-E89 WeakPolarHBondContact CE2-O 3.46Å; R84-E89 HydrophobicContact CB-CG 4.47Å; R84-E89 WeakPolarHBondContact CB-OE1 3.47Å; R84-E89 VanDerWaalsContact CD-OE1 3.3Å; R84-E89 WeakPolarHBondContact CD-OE1 3.45Å; R84-E89 IonicContact CZ-OE2 3.63Å; R84-E89 IonicContact NH1-OE1 2.72Å; R84-E89 IonicContact NH1-OE2 3.19Å; R84-E89 PolarHBondContact NH1-OE2 2.85Å; R84-E89 PolarHBondContact O-N 3.25Å; L85-E89 HydrophobicContact CD2-CB 4.23Å
90L97.6Very high98.3Very high4 Ų430 Ų302%0.02116%0.161CC..THydrogen-bonded Turntrans-117.83.9172.1-62.6-177.3000112.9L85 G88 I125 K128 L129L85-L90 HydrophobicContact CB-CD1 3.98Å; L85-L90 HydrophobicContact CB-CG 4.18Å; L85-L90 HydrophobicContact CD1-CD1 4.39Å; L85-L90 HydrophobicContact CD2-CD1 4.02Å; L85-L90 HydrophobicContact CD2-CD2 3.74Å; L85-L90 HydrophobicContact CD2-CG 3.66Å; L85-L90 HydrophobicContact CG-CD1 4.35Å; L85-L90 HydrophobicContact CG-CG 4.42Å; G88-L90 PolarHBondContact O-N 3.07Å; G88-L90 VanDerWaalsContact O-N 3.15Å; L90-I125 HydrophobicContact CD1-CG1 4.01Å; L90-K128 HydrophobicContact CB-CB 4.44Å; L90-K128 HydrophobicContact CB-CD 3.98Å; L90-K128 HydrophobicContact CD1-CB 4.28Å; L90-K128 HydrophobicContact CD1-CD 4.08Å; L90-L129 HydrophobicContact CB-CD1 4.35Å; L90-L129 HydrophobicContact CD1-CD1 4.36Å; L90-L129 HydrophobicContact CD2-CD1 3.84Å; L90-L129 HydrophobicContact CG-CD1 4.41Å
91D96.5Very high98.3Very high64 Ų6428.7 Ų28.734%0.34216%0.155SC..THydrogen-bonded Turntrans-86.1145.9-175.9-62.5-8.5000110.3C35 G88 I93 K128C35-D91 VanDerWaalsContact CB-O 3.31Å; C35-D91 WeakPolarHBondContact CB-O 3.5Å; G88-D91 WeakPolarHBondContact CA-OD2 3.29Å; G88-D91 PolarHBondContact O-N 3.05Å; D91-I93 PolarHBondContact O-N 3.02Å; D91-K128 IonicContact OD1-NZ 3.61Å; D91-K128 PolarHBondContact OD1-NZ 3.29Å
92N97Very high98.3Very high126 Ų12628.9 Ų28.967%0.67416%0.156SC*.THydrogen-bonded Turntrans686.1177.6-40.4-74.2000116.2
93I97.8Very high98.3Very high14 Ų1428.7 Ų28.77%0.07216%0.155CC..  trans-117.4158.7174.455.9164.1000110.9C35 P40 V43 D91 P95 L129C35-I93 HydrophobicContact CB-CG2 3.87Å; C35-I93 WeakPolarHBondContact O-CG2 3.46Å; P40-I93 HydrophobicContact CG-CB 4.3Å; P40-I93 HydrophobicContact CG-CD1 4.43Å; P40-I93 HydrophobicContact CG-CG2 4.17Å; V43-I93 HydrophobicContact CG2-CD1 3.81Å; D91-I93 PolarHBondContact O-N 3.02Å; I93-P95 HydrophobicContact CD1-CG 4.42Å; I93-L129 WeakPolarHBondContact O-CD2 3.5Å
94S97.5Very high98.3Very high89 Ų8926.7 Ų26.762%0.62215%0.148SC*.  trans-140.663.3177-179.30000111.1
95P98.1Very high98.3Very high2 Ų227.8 Ų27.81%0.01315%0.154CC..  trans-66.1154.4179.431.9-36.7000111.3P40 V43 I93 V98 L129 A132P40-P95 VanDerWaalsContact O-CA 3.29Å; P40-P95 WeakPolarHBondContact O-CA 3.43Å; V43-P95 HydrophobicContact CG2-CB 3.96Å; V43-P95 HydrophobicContact CG2-CG 3.93Å; I93-P95 HydrophobicContact CD1-CG 4.42Å; P95-V98 HydrophobicContact CG-CG2 4.03Å; P95-L129 HydrophobicContact CG-CD1 3.73Å; P95-A132 VanDerWaalsContact O-CB 3.32Å; P95-A132 WeakPolarHBondContact O-CB 3.28Å
96K98.4Very high98.3Very high112 Ų11227.8 Ų27.849%0.48715%0.154SC..SBendtrans-83.3-29.6173.3-62.8172.1-173.9144.90111.4D41 A132 H133 L217D41-K96 PolarHBondContact O-N 2.97Å; D41-K96 WeakPolarHBondContact OD1-CE 3.31Å; D41-K96 IonicContact OD1-NZ 3.46Å; D41-K96 PolarHBondContact OD1-NZ 2.75Å; K96-A132 WeakPolarHBondContact O-CA 3.42Å; K96-H133 PolarHBondContact O-N 3.26Å; K96-L217 HydrophobicContact CB-CD2 3.79Å; K96-L217 HydrophobicContact CD-CD2 3.93Å; K96-L217 HydrophobicContact CG-CD2 4.48Å
97V98.8Very high98.2Very high0 Ų030.1 Ų30.10%016%0.16CC..EExtended strand (participates in β ladder)trans-132.9133.8-179.2-177.30000110.5D41 V42 V43 V99 H133 L135 L216 L217D41-V97 PolarHBondContact O-N 2.64Å; V42-V97 VanDerWaalsContact CA-O 3.29Å; V42-V97 WeakPolarHBondContact CA-O 3.29Å; V42-V97 HydrophobicContact CG1-CB 4.26Å; V42-V97 HydrophobicContact CG1-CG1 4.45Å; V42-V97 HydrophobicContact CG2-CB 4.3Å; V43-V97 PolarHBondContact N-O 3.37Å; V97-V99 HydrophobicContact CG1-CG2 4.15Å; V97-H133 WeakPolarHBondContact CA-O 3.27Å; V97-L135 HydrophobicContact CG1-CB 4.47Å; V97-L216 HydrophobicContact CG1-CD1 4.23Å; V97-L216 HydrophobicContact CG2-CB 3.75Å; V97-L216 HydrophobicContact CG2-CD1 4.48Å; V97-L217 HydrophobicContact CG2-CD2 3.95Å; V97-L217 HydrophobicContact CG2-CG 4.26Å
98V98.9Very high98.1Very high0 Ų030.8 Ų30.80%018%0.184CC..EExtended strand (participates in β ladder)trans-112.6122166.6-178.20000108.6V43 V45 P95 I125 L129 A132 H133 T134 L135V43-V98 CarbonylContact O-C 3.57Å; V43-V98 WeakPolarHBondContact O-CA 3.46Å; V45-V98 HydrophobicContact CG2-CG1 4.21Å; P95-V98 HydrophobicContact CG-CG2 4.03Å; V98-I125 HydrophobicContact CB-CG2 4.08Å; V98-I125 HydrophobicContact CG1-CD1 3.81Å; V98-I125 HydrophobicContact CG1-CG1 4.44Å; V98-I125 HydrophobicContact CG1-CG2 4.32Å; V98-I125 HydrophobicContact CG2-CG2 3.89Å; V98-L129 HydrophobicContact CG2-CD1 4.01Å; V98-A132 HydrophobicContact CG2-CB 4.18Å; V98-H133 PolarHBondContact N-O 2.88Å; V98-T134 CarbonylContact O-C 3.37Å; V98-T134 WeakPolarHBondContact O-CA 3.33Å; V98-L135 PolarHBondContact O-N 3.17Å
99V98.9Very high98.1Very high0 Ų032.1 Ų32.10%019%0.189CC..EExtended strand (participates in β ladder)trans-97.5116.2176.1-1760000108.5V42 V43 F44 V45 V97 L135 L137 I213V42-V99 HydrophobicContact CG1-CG2 4.1Å; V43-V99 PolarHBondContact O-N 3.28Å; F44-V99 CarbonylContact C-O 3.46Å; F44-V99 WeakPolarHBondContact CA-O 3.45Å; F44-V99 HydrophobicContact CD1-CB 3.69Å; F44-V99 HydrophobicContact CD1-CG1 3.72Å; F44-V99 HydrophobicContact CD1-CG2 4.17Å; F44-V99 HydrophobicContact CD2-CB 4.47Å; F44-V99 HydrophobicContact CD2-CG2 4.41Å; F44-V99 HydrophobicContact CE1-CB 3.92Å; F44-V99 HydrophobicContact CE1-CG1 3.78Å; F44-V99 HydrophobicContact CE1-CG2 3.95Å; F44-V99 HydrophobicContact CE2-CG2 4.19Å; F44-V99 HydrophobicContact CG-CB 4Å; F44-V99 HydrophobicContact CG-CG2 4.41Å; F44-V99 HydrophobicContact CZ-CB 4.39Å; F44-V99 HydrophobicContact CZ-CG2 3.96Å; V45-V99 PolarHBondContact N-O 3.48Å; V97-V99 HydrophobicContact CG1-CG2 4.15Å; V99-L135 WeakPolarHBondContact CA-O 3.39Å; V99-L137 HydrophobicContact CG1-CD1 3.76Å; V99-L137 HydrophobicContact CG1-CD2 4.07Å; V99-L137 HydrophobicContact CG1-CG 3.8Å; V99-I213 HydrophobicContact CG2-CD1 3.75Å; V99-I213 HydrophobicContact CG2-CG1 4.1Å
100L98.9Very high98.1Very high0 Ų035.3 Ų35.30%021%0.208CC..EExtended strand (participates in β ladder)trans-107.2123.1-178.8178.863.5000110.5V45 V81 V102 I118 I121 V122 T134 L135 V136 L137V45-L100 WeakPolarHBondContact O-CA 3.44Å; V81-L100 HydrophobicContact CG1-CD1 4.27Å; L100-V102 HydrophobicContact CD1-CG1 3.85Å; L100-V102 HydrophobicContact CG-CG1 4.27Å; L100-I118 HydrophobicContact CD2-CG2 4.15Å; L100-I121 HydrophobicContact CD1-CD1 4.49Å; L100-I121 HydrophobicContact CD1-CG2 3.75Å; L100-I121 HydrophobicContact CD2-CB 4.01Å; L100-I121 HydrophobicContact CD2-CG2 3.6Å; L100-I121 HydrophobicContact CG-CG2 4.33Å; L100-V122 HydrophobicContact CD2-CG2 4.12Å; L100-T134 HydrophobicContact CB-CG2 4.41Å; L100-L135 PolarHBondContact N-O 3.35Å; L100-V136 HydrophobicContact CB-CG2 4.41Å; L100-V136 HydrophobicContact CD2-CG2 4.24Å; L100-V136 WeakPolarHBondContact O-CA 3.4Å; L100-L137 PolarHBondContact O-N 3.47Å
101W98.9Very high98.2Very high3 Ų335.5 Ų35.51%0.01121%0.211CC..EExtended strand (participates in β ladder)trans-141.395.4176.2-161.717.9000111.7V45 G46 D47 L49 V50 M53 L137 G138 L140 V175 L197 V205V45-W101 PolarHBondContact O-N 3.07Å; G46-W101 WeakPolarHBondContact CA-O 3.4Å; D47-W101 PolarHBondContact N-O 3Å; D47-W101 VanDerWaalsContact N-O 3.15Å; L49-W101 HydrophobicContact CB-CD2 4.02Å; L49-W101 HydrophobicContact CB-CE3 3.77Å; L49-W101 HydrophobicContact CB-CH2 4.15Å; L49-W101 HydrophobicContact CB-CZ2 4.38Å; L49-W101 HydrophobicContact CB-CZ3 3.84Å; L49-W101 HydrophobicContact CD1-CD2 4.35Å; L49-W101 HydrophobicContact CD1-CH2 4.38Å; L49-W101 HydrophobicContact CD1-CZ2 3.91Å; V50-W101 HydrophobicContact CG2-CB 3.65Å; V50-W101 HydrophobicContact CG2-CE3 4.18Å; V50-W101 HydrophobicContact CG2-CG 4.5Å; M53-W101 HydrophobicContact CE-CE3 4.17Å; M53-W101 HydrophobicContact CE-CZ3 3.68Å; W101-L137 HydrophobicContact CB-CB 3.97Å; W101-L137 HydrophobicContact CB-CD1 4.04Å; W101-L137 HydrophobicContact CB-CG 4.17Å; W101-L137 HydrophobicContact CD2-CB 4.04Å; W101-L137 HydrophobicContact CD2-CD1 3.72Å; W101-L137 HydrophobicContact CD2-CG 4.45Å; W101-L137 HydrophobicContact CE3-CD1 3.73Å; W101-L137 HydrophobicContact CG-CB 3.63Å; W101-L137 HydrophobicContact CG-CD1 3.92Å; W101-L137 HydrophobicContact CG-CG 4.19Å; W101-L137 HydrophobicContact CZ3-CD1 4.32Å; W101-G138 PolarHBondContact NE1-O 3.2Å; W101-L140 HydrophobicContact CH2-CD1 4.05Å; W101-L140 HydrophobicContact CZ2-CD1 3.57Å; W101-L140 HydrophobicContact CZ2-CG 3.79Å; W101-V175 HydrophobicContact CH2-CG1 4.18Å; W101-V175 HydrophobicContact CZ2-CG1 3.5Å; W101-L197 HydrophobicContact CH2-CD1 4.19Å; W101-V205 HydrophobicContact CH2-CG1 3.73Å; W101-V205 HydrophobicContact CZ3-CG1 4.22Å
102V98.9Very high98.3Very high4 Ų437.8 Ų37.82%0.02422%0.219CC..  trans-151.2158.1-176.864.70000109.9T78 V81 L100 I118 I121T78-V102 HydrophobicContact CG2-CG1 4.02Å; T78-V102 HydrophobicContact CG2-CG2 4.31Å; V81-V102 HydrophobicContact CG2-CB 4.21Å; V81-V102 HydrophobicContact CG2-CG2 3.79Å; L100-V102 HydrophobicContact CD1-CG1 3.85Å; L100-V102 HydrophobicContact CG-CG1 4.27Å; V102-I118 HydrophobicContact CG1-CG1 4.38Å; V102-I121 HydrophobicContact CG1-CD1 3.94Å
103G98.7Very high98.4Very high1 Ų134.5 Ų34.51%0.0120%0.2CC..  trans134.8-21.5168.800000113.6N105 N106G103-N105 PolarHBondContact O-N 3.05Å; G103-N106 WeakPolarHBondContact O-CB 3.2Å; G103-N106 PolarHBondContact O-N 2.93Å
104T98.8Very high98.5Very high3 Ų333.8 Ų33.82%0.01820%0.196CC..THydrogen-bonded Turntrans-64.5-31.1-177.8-161.40000112.4R142 R152 L195T104-R142 PolarHBondContact O-NH1 2.91Å; T104-R142 VanDerWaalsContact O-NH1 3.1Å; T104-R142 WeakPolarHBondContact OG1-CD 3.49Å; T104-R142 PolarHBondContact OG1-NH1 3.31Å; T104-R152 PolarHBondContact O-NH2 3.32Å; T104-R152 VanDerWaalsContact O-NH2 3.08Å; T104-L195 HydrophobicContact CG2-CD1 4.34Å
105N98.7Very high98.5Very high23 Ų2330 Ų3012%0.12317%0.17CC..THydrogen-bonded Turntrans-88.81.6-177.9-60.3-36.8000114.5D76 G103 H107D76-N105 WeakPolarHBondContact O-CB 3.44Å; D76-N105 PolarHBondContact O-ND2 3.22Å; G103-N105 PolarHBondContact O-N 3.05Å; N105-H107 PolarHBondContact O-CD2 2.83Å; N105-H107 PolarHBondContact O-N 3Å
106N98.6Very high98.5Very high1 Ų131.1 Ų31.11%0.00518%0.183CC..  trans-73.763.5175.5-76.969.3000111A77 T78 Q79 G103 H109 I114 R152A77-N106 WeakPolarHBondContact CA-OD1 3.34Å; A77-N106 WeakPolarHBondContact CB-OD1 3.37Å; T78-N106 PolarHBondContact N-OD1 3.08Å; T78-N106 PolarHBondContact OG1-ND2 2.82Å; Q79-N106 PolarHBondContact OE1-ND2 3.24Å; G103-N106 WeakPolarHBondContact O-CB 3.2Å; G103-N106 PolarHBondContact O-N 2.93Å; N106-H109 HydrophobicContact CB-CB 4.24Å; N106-H109 PolarHBondContact ND2-ND1 3.3Å; N106-H109 PolarHBondContact O-N 3.43Å; N106-I114 HydrophobicContact CB-CD1 3.68Å; N106-I114 HydrophobicContact CB-CG1 3.51Å; N106-R152 PolarHBondContact O-NH1 3.42Å
107H96.4Very high98.6Very high109 Ų10925.8 Ų25.851%0.50516%0.159SC..THydrogen-bonded Turntrans-64.3140176.6-60.3-65.4000110.4N105 H109N105-H107 PolarHBondContact O-CD2 2.83Å; N105-H107 PolarHBondContact O-N 3Å; H107-H109 PolarHBondContact O-N 3.47Å
108G96.8Very high98.6Very high85 Ų8526 Ų2688%0.87616%0.16SC*.THydrogen-bonded Turntrans80.3-9.6-177.400000115.6
109H98.4Very high98.6Very high34 Ų3428.2 Ų28.216%0.15717%0.171CC..  trans-94.9146.4175.1-60.2130.9000112.4N106 H107 Q113 I114N106-H109 HydrophobicContact CB-CB 4.24Å; N106-H109 PolarHBondContact ND2-ND1 3.3Å; N106-H109 PolarHBondContact O-N 3.43Å; H107-H109 PolarHBondContact O-N 3.47Å; H109-Q113 VanDerWaalsContact CA-OE1 3.29Å; H109-Q113 HydrophobicContact CB-CB 4.14Å; H109-I114 HydrophobicContact CB-CD1 4.32Å; H109-I114 HydrophobicContact CB-CG1 3.86Å
110T98.6Very high98.6Very high67 Ų6732.5 Ų32.541%0.41119%0.191SC..  trans-74.2166.6173.578.90000111.6E112 Q113 I114T110-E112 VanDerWaalsContact C-N 3.28Å; T110-E112 WeakPolarHBondContact CB-OE2 3.39Å; T110-E112 PolarHBondContact O-N 3.01Å; T110-E112 PolarHBondContact OG1-N 2.81Å; T110-E112 PolarHBondContact OG1-OE2 3.26Å; T110-Q113 PolarHBondContact O-N 2.82Å; T110-Q113 PolarHBondContact OG1-N 3.32Å; T110-I114 VanDerWaalsContact O-CG1 3.23Å; T110-I114 WeakPolarHBondContact O-CG1 3.46Å; T110-I114 PolarHBondContact O-N 2.67Å
111A98.8Very high98.6Very high9 Ų932.5 Ų32.57%0.07419%0.191CC..Hα-helixtrans-60.5-39.3177.300000112I114 A115 R152 E155 V156 L159A111-I114 PolarHBondContact O-N 3.09Å; A111-A115 WeakPolarHBondContact O-CB 3.35Å; A111-A115 PolarHBondContact O-N 3.36Å; A111-R152 HydrophobicContact CB-CG 4.23Å; A111-E155 HydrophobicContact CB-CB 3.83Å; A111-E155 HydrophobicContact CB-CG 3.77Å; A111-V156 HydrophobicContact CB-CG2 3.84Å; A111-L159 HydrophobicContact CB-CD1 4.27Å
112E98.8Very high98.5Very high111 Ų11132.4 Ų32.452%0.51919%0.191SC..Hα-helixtrans-65.8-41.8178.5-55.276.2-16900111.6T110 A115 G116 L159T110-E112 VanDerWaalsContact C-N 3.28Å; T110-E112 WeakPolarHBondContact CB-OE2 3.39Å; T110-E112 PolarHBondContact O-N 3.01Å; T110-E112 PolarHBondContact OG1-N 2.81Å; T110-E112 PolarHBondContact OG1-OE2 3.26Å; E112-A115 PolarHBondContact O-N 3.18Å; E112-G116 PolarHBondContact O-N 3.42Å; E112-L159 HydrophobicContact CB-CD1 4.47Å; E112-L159 HydrophobicContact CG-CD1 4.04Å
113Q98.8Very high98.5Very high57 Ų5735.9 Ų35.927%0.26621%0.207SC..Hα-helixtrans-62.4-45.7175.5-73.2177-36.900111N7 A9 H109 T110 G116 G117N7-Q113 PolarHBondContact ND2-O 3Å; N7-Q113 WeakPolarHBondContact OD1-CA 3.35Å; N7-Q113 VanDerWaalsContact OD1-CB 3.29Å; N7-Q113 WeakPolarHBondContact OD1-CB 3.34Å; N7-Q113 WeakPolarHBondContact OD1-CG 3.5Å; A9-Q113 HydrophobicContact CB-CB 4.24Å; A9-Q113 VanDerWaalsContact CB-O 3.3Å; A9-Q113 WeakPolarHBondContact CB-O 3.39Å; H109-Q113 VanDerWaalsContact CA-OE1 3.29Å; H109-Q113 HydrophobicContact CB-CB 4.14Å; T110-Q113 PolarHBondContact O-N 2.82Å; T110-Q113 PolarHBondContact OG1-N 3.32Å; Q113-G116 PolarHBondContact O-N 3.34Å; Q113-G117 PolarHBondContact O-N 3.15Å
114I98.9Very high98.5Very high0 Ų037.1 Ų37.10%021%0.213CC..Hα-helixtrans-63.7-47.2178.8-62.8167.4000110.6N106 H109 T110 A111 G116 G117 I118 R152 V156N106-I114 HydrophobicContact CB-CD1 3.68Å; N106-I114 HydrophobicContact CB-CG1 3.51Å; H109-I114 HydrophobicContact CB-CD1 4.32Å; H109-I114 HydrophobicContact CB-CG1 3.86Å; T110-I114 VanDerWaalsContact O-CG1 3.23Å; T110-I114 WeakPolarHBondContact O-CG1 3.46Å; T110-I114 PolarHBondContact O-N 2.67Å; A111-I114 PolarHBondContact O-N 3.09Å; I114-G116 VanDerWaalsContact C-N 3.33Å; I114-G116 PolarHBondContact O-N 3.01Å; I114-G117 PolarHBondContact O-N 3.18Å; I114-G117 VanDerWaalsContact O-N 3.12Å; I114-I118 HydrophobicContact CG2-CD1 4.06Å; I114-I118 WeakPolarHBondContact O-CG1 3.5Å; I114-I118 PolarHBondContact O-N 3.17Å; I114-R152 HydrophobicContact CD1-CG 4.5Å; I114-V156 HydrophobicContact CB-CG2 3.82Å; I114-V156 HydrophobicContact CD1-CG2 4.18Å; I114-V156 HydrophobicContact CG2-CG1 3.88Å; I114-V156 HydrophobicContact CG2-CG2 3.84Å
115A98.9Very high98.5Very high8 Ų837 Ų377%0.06621%0.212CC..Hα-helixtrans-58.2-45.3175.900000111.2A111 E112 G117 I118 M119 L159 V160A111-A115 WeakPolarHBondContact O-CB 3.35Å; A111-A115 PolarHBondContact O-N 3.36Å; E112-A115 PolarHBondContact O-N 3.18Å; A115-G117 VanDerWaalsContact C-N 3.33Å; A115-G117 PolarHBondContact O-N 2.77Å; A115-I118 PolarHBondContact O-N 2.98Å; A115-M119 VanDerWaalsContact O-CG 3.32Å; A115-M119 WeakPolarHBondContact O-CG 3.43Å; A115-M119 PolarHBondContact O-N 2.87Å; A115-L159 HydrophobicContact CB-CB 3.74Å; A115-L159 HydrophobicContact CB-CD1 4.17Å; A115-V160 HydrophobicContact CB-CG2 3.9Å
116G98.7Very high98.5Very high27 Ų2738.4 Ų38.428%0.27822%0.218SC..Hα-helixtrans-60-39.3174.100000113.3E112 Q113 I114 M119 E120E112-G116 PolarHBondContact O-N 3.42Å; Q113-G116 PolarHBondContact O-N 3.34Å; I114-G116 VanDerWaalsContact C-N 3.33Å; I114-G116 PolarHBondContact O-N 3.01Å; G116-M119 PolarHBondContact O-N 3.14Å; G116-E120 WeakPolarHBondContact O-CB 3.45Å; G116-E120 PolarHBondContact O-N 2.88Å
117G98.8Very high98.5Very high0 Ų043.4 Ų43.40%025%0.245CC..Hα-helixtrans-65.1-39.8174.300000113.2A9 Q113 I114 A115 E120 I121A9-G117 WeakPolarHBondContact O-CA 3.15Å; Q113-G117 PolarHBondContact O-N 3.15Å; I114-G117 PolarHBondContact O-N 3.18Å; I114-G117 VanDerWaalsContact O-N 3.12Å; A115-G117 VanDerWaalsContact C-N 3.33Å; A115-G117 PolarHBondContact O-N 2.77Å; G117-E120 PolarHBondContact O-N 3.26Å; G117-I121 WeakPolarHBondContact O-CG1 3.39Å; G117-I121 PolarHBondContact O-N 3.27Å; G117-I121 VanDerWaalsContact O-N 3.15Å
118I98.9Very high98.6Very high4 Ų441.7 Ų41.72%0.02124%0.236CC..Hα-helixtrans-63.8-45.3173.9-68.9167.5000110.4T78 L100 V102 I114 A115 E120 I121 V122 V136 V156 V160T78-I118 HydrophobicContact CG2-CG1 3.83Å; L100-I118 HydrophobicContact CD2-CG2 4.15Å; V102-I118 HydrophobicContact CG1-CG1 4.38Å; I114-I118 HydrophobicContact CG2-CD1 4.06Å; I114-I118 WeakPolarHBondContact O-CG1 3.5Å; I114-I118 PolarHBondContact O-N 3.17Å; A115-I118 PolarHBondContact O-N 2.98Å; I118-E120 VanDerWaalsContact C-N 3.33Å; I118-E120 PolarHBondContact O-N 2.79Å; I118-I121 WeakPolarHBondContact O-CB 3.43Å; I118-I121 PolarHBondContact O-N 2.93Å; I118-I121 VanDerWaalsContact O-N 3.17Å; I118-V122 WeakPolarHBondContact O-CG2 3.5Å; I118-V122 PolarHBondContact O-N 3.11Å; I118-V136 HydrophobicContact CG2-CG1 3.78Å; I118-V156 HydrophobicContact CD1-CG1 3.82Å; I118-V160 HydrophobicContact CB-CG2 4.2Å; I118-V160 HydrophobicContact CD1-CG2 3.91Å; I118-V160 HydrophobicContact CG2-CG1 4.1Å; I118-V160 HydrophobicContact CG2-CG2 4.06Å
119M98.8Very high98.6Very high46 Ų4638.2 Ų38.223%0.22720%0.197CC..Hα-helixtrans-64-37.2178.6-67-53.3-58.800112.5A115 G116 I121 V122 Q123 A163 L164 L167A115-M119 VanDerWaalsContact O-CG 3.32Å; A115-M119 WeakPolarHBondContact O-CG 3.43Å; A115-M119 PolarHBondContact O-N 2.87Å; G116-M119 PolarHBondContact O-N 3.14Å; M119-I121 VanDerWaalsContact C-N 3.31Å; M119-I121 PolarHBondContact O-N 3.16Å; M119-V122 PolarHBondContact O-N 3.4Å; M119-Q123 PolarHBondContact O-N 3.39Å; M119-A163 HydrophobicContact CE-CB 3.94Å; M119-A163 HydrophobicContact CG-CB 4.15Å; M119-A163 HydrophobicContact SD-CB 3.69Å; M119-L164 HydrophobicContact CE-CD2 3.83Å; M119-L164 HydrophobicContact SD-CD2 3.77Å; M119-L164 HydrophobicContact SD-CG 4.1Å; M119-L167 HydrophobicContact CE-CD1 3.76Å
120E98.8Very high98.6Very high90 Ų9040.3 Ų40.342%0.42121%0.214SC..Hα-helixtrans-62.8-39.4174-166.662.6-148.300111.6A10 L82 G116 G117 I118 Q123 L124A10-E120 HydrophobicContact CB-CB 3.94Å; A10-E120 HydrophobicContact CB-CG 4.19Å; L82-E120 HydrophobicContact CD1-CB 4.45Å; L82-E120 HydrophobicContact CD1-CG 4.01Å; L82-E120 HydrophobicContact CD2-CB 4.39Å; L82-E120 HydrophobicContact CD2-CG 3.75Å; G116-E120 WeakPolarHBondContact O-CB 3.45Å; G116-E120 PolarHBondContact O-N 2.88Å; G117-E120 PolarHBondContact O-N 3.26Å; I118-E120 VanDerWaalsContact C-N 3.33Å; I118-E120 PolarHBondContact O-N 2.79Å; E120-Q123 PolarHBondContact O-N 3.5Å; E120-L124 WeakPolarHBondContact O-CB 3.45Å; E120-L124 PolarHBondContact O-N 3.32Å
121I98.9Very high98.5Very high0 Ų043.8 Ų43.80%023%0.23CC..Hα-helixtrans-63.8-44.5174-65162.1000110.9T78 V81 L82 L85 L100 V102 G117 I118 M119 Q123 L124 I125T78-I121 HydrophobicContact CG2-CD1 4.27Å; V81-I121 HydrophobicContact CB-CD1 3.98Å; V81-I121 HydrophobicContact CG1-CD1 3.89Å; V81-I121 HydrophobicContact CG1-CG1 4.39Å; V81-I121 HydrophobicContact CG1-CG2 4.27Å; L82-I121 HydrophobicContact CB-CG1 4.01Å; L82-I121 HydrophobicContact CD1-CB 4.42Å; L82-I121 HydrophobicContact CD1-CG1 3.81Å; L82-I121 HydrophobicContact CG-CG1 4.49Å; L85-I121 HydrophobicContact CD1-CG2 3.67Å; L100-I121 HydrophobicContact CD1-CD1 4.49Å; L100-I121 HydrophobicContact CD1-CG2 3.75Å; L100-I121 HydrophobicContact CD2-CB 4.01Å; L100-I121 HydrophobicContact CD2-CG2 3.6Å; L100-I121 HydrophobicContact CG-CG2 4.33Å; V102-I121 HydrophobicContact CG1-CD1 3.94Å; G117-I121 WeakPolarHBondContact O-CG1 3.39Å; G117-I121 PolarHBondContact O-N 3.27Å; G117-I121 VanDerWaalsContact O-N 3.15Å; I118-I121 WeakPolarHBondContact O-CB 3.43Å; I118-I121 PolarHBondContact O-N 2.93Å; I118-I121 VanDerWaalsContact O-N 3.17Å; M119-I121 VanDerWaalsContact C-N 3.31Å; M119-I121 PolarHBondContact O-N 3.16Å; I121-Q123 VanDerWaalsContact C-N 3.32Å; I121-Q123 PolarHBondContact O-N 3.37Å; I121-L124 PolarHBondContact O-N 3.44Å; I121-I125 HydrophobicContact CG2-CD1 3.7Å; I121-I125 HydrophobicContact CG2-CG1 4.32Å; I121-I125 VanDerWaalsContact O-CG1 3.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.48Å; I121-I125 PolarHBondContact O-N 3.39Å
122V98.8Very high98.4Very high1 Ų143.5 Ų43.51%0.00623%0.228CC..Hα-helixtrans-58.9-45.3177.1173.10000110.7L100 I118 M119 I125 H126 T134 V136 L164 L167 A170L100-V122 HydrophobicContact CD2-CG2 4.12Å; I118-V122 WeakPolarHBondContact O-CG2 3.5Å; I118-V122 PolarHBondContact O-N 3.11Å; M119-V122 PolarHBondContact O-N 3.4Å; V122-I125 PolarHBondContact O-N 3.4Å; V122-H126 PolarHBondContact O-N 2.87Å; V122-T134 HydrophobicContact CG2-CG2 4.09Å; V122-V136 HydrophobicContact CG2-CG2 3.64Å; V122-L164 HydrophobicContact CG1-CD2 4.18Å; V122-L164 HydrophobicContact CG2-CD2 4.31Å; V122-L167 HydrophobicContact CG1-CD1 4.32Å; V122-A170 HydrophobicContact CG1-CB 3.75Å
123Q98.6Very high98.4Very high78 Ų7840.1 Ų40.136%0.36421%0.212SC..Hα-helixtrans-63.8-42.9177.5-173.663.248.700112M119 E120 I121 I125 H126 N127M119-Q123 PolarHBondContact O-N 3.39Å; E120-Q123 PolarHBondContact O-N 3.5Å; I121-Q123 VanDerWaalsContact C-N 3.32Å; I121-Q123 PolarHBondContact O-N 3.37Å; Q123-I125 PolarHBondContact O-N 2.83Å; Q123-H126 PolarHBondContact O-N 2.99Å; Q123-N127 PolarHBondContact NE2-OD1 2.89Å; Q123-N127 WeakPolarHBondContact O-CB 3.43Å; Q123-N127 PolarHBondContact O-N 3.43Å; Q123-N127 PolarHBondContact O-ND2 3.12Å; Q123-N127 PolarHBondContact O-OD1 3.03Å
124L98.8Very high98.4Very high27 Ų2737.4 Ų37.414%0.14120%0.199CC..Hα-helixtrans-59.9-45.3175.3175.465.3000111.5L82 L85 T86 E120 I121 N127 K128L82-L124 HydrophobicContact CD1-CB 4.08Å; L82-L124 HydrophobicContact CD1-CD2 3.61Å; L82-L124 HydrophobicContact CD1-CG 4.48Å; L82-L124 HydrophobicContact CG-CD2 4.44Å; L85-L124 HydrophobicContact CB-CD2 3.68Å; T86-L124 WeakPolarHBondContact OG1-CD2 3.49Å; E120-L124 WeakPolarHBondContact O-CB 3.45Å; E120-L124 PolarHBondContact O-N 3.32Å; I121-L124 PolarHBondContact O-N 3.44Å; L124-N127 PolarHBondContact O-N 3.1Å; L124-K128 HydrophobicContact CD1-CD 4.16Å; L124-K128 HydrophobicContact CD1-CG 4.39Å; L124-K128 PolarHBondContact O-N 3.4Å
125I98.8Very high98.4Very high0 Ų037.4 Ų37.40%020%0.199CC..Hα-helixtrans-60.1-49.2177.1-68.7161.5000109.8L85 L90 V98 I121 V122 Q123 N127 K128 L129 T134L85-I125 HydrophobicContact CD1-CD1 4.26Å; L85-I125 HydrophobicContact CD1-CG1 4.07Å; L90-I125 HydrophobicContact CD1-CG1 4.01Å; V98-I125 HydrophobicContact CB-CG2 4.08Å; V98-I125 HydrophobicContact CG1-CD1 3.81Å; V98-I125 HydrophobicContact CG1-CG1 4.44Å; V98-I125 HydrophobicContact CG1-CG2 4.32Å; V98-I125 HydrophobicContact CG2-CG2 3.89Å; I121-I125 HydrophobicContact CG2-CD1 3.7Å; I121-I125 HydrophobicContact CG2-CG1 4.32Å; I121-I125 VanDerWaalsContact O-CG1 3.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.48Å; I121-I125 PolarHBondContact O-N 3.39Å; V122-I125 PolarHBondContact O-N 3.4Å; Q123-I125 PolarHBondContact O-N 2.83Å; I125-N127 VanDerWaalsContact C-N 3.31Å; I125-N127 PolarHBondContact O-N 2.9Å; I125-K128 PolarHBondContact O-N 2.9Å; I125-L129 WeakPolarHBondContact O-CA 3.4Å; I125-L129 WeakPolarHBondContact O-CB 3.38Å; I125-L129 PolarHBondContact O-N 2.86Å; I125-T134 HydrophobicContact CD1-CG2 4.06Å; I125-T134 WeakPolarHBondContact CG2-OG1 3.15Å
126H98.4Very high98.4Very high53 Ų5337.1 Ų37.125%0.24520%0.197CC..Hα-helixtrans-60.2-40.6179-177.855.3000112.4V122 Q123 K128 L129 P130 H169V122-H126 PolarHBondContact O-N 2.87Å; Q123-H126 PolarHBondContact O-N 2.99Å; H126-K128 PolarHBondContact O-N 3.48Å; H126-L129 CarbonylContact O-C 3.59Å; H126-P130 WeakPolarHBondContact O-CA 3.23Å; H126-H169 AromaticContact CD2-CE1 3.81Å; H126-H169 AromaticContact CD2-NE2 3.92Å; H126-H169 AromaticContact CE1-CG 3.82Å; H126-H169 AromaticContact CE1-ND1 3.83Å; H126-H169 AromaticContact CG-CD2 3.56Å; H126-H169 AromaticContact CG-CE1 3.9Å; H126-H169 AromaticContact CG-CG 3.84Å; H126-H169 AromaticContact CG-NE2 3.63Å; H126-H169 AromaticContact ND1-CD2 3.63Å; H126-H169 AromaticContact ND1-CG 3.5Å; H126-H169 AromaticContact ND1-ND1 3.89Å; H126-H169 AromaticContact NE2-ND1 3.94Å
127N98.3Very high98.5Very high106 Ų10636 Ų3657%0.56719%0.185SC*.Hα-helixtrans-65.3-38.7178.3-70.2-15.2000112.7Q123 L124 I125Q123-N127 PolarHBondContact NE2-OD1 2.89Å; Q123-N127 WeakPolarHBondContact O-CB 3.43Å; Q123-N127 PolarHBondContact O-N 3.43Å; Q123-N127 PolarHBondContact O-ND2 3.12Å; Q123-N127 PolarHBondContact O-OD1 3.03Å; L124-N127 PolarHBondContact O-N 3.1Å; I125-N127 VanDerWaalsContact C-N 3.31Å; I125-N127 PolarHBondContact O-N 2.9Å
128K98.2Very high98.5Very high73 Ų7336.1 Ų36.132%0.31719%0.185SC..Hα-helixtrans-83.7-33-179.7-79.5-175163.8-81.50113L85 L90 D91 L124 I125 H126L85-K128 WeakPolarHBondContact O-CE 3.17Å; L90-K128 HydrophobicContact CB-CB 4.44Å; L90-K128 HydrophobicContact CB-CD 3.98Å; L90-K128 HydrophobicContact CD1-CB 4.28Å; L90-K128 HydrophobicContact CD1-CD 4.08Å; D91-K128 IonicContact OD1-NZ 3.61Å; D91-K128 PolarHBondContact OD1-NZ 3.29Å; L124-K128 HydrophobicContact CD1-CD 4.16Å; L124-K128 HydrophobicContact CD1-CG 4.39Å; L124-K128 PolarHBondContact O-N 3.4Å; I125-K128 PolarHBondContact O-N 2.9Å; H126-K128 PolarHBondContact O-N 3.48Å
129L97.9Very high98.4Very high12 Ų1236.2 Ų36.26%0.06319%0.186CC..  trans-131.468.4-173.5-59.4177.7000110L90 I93 P95 V98 I125 H126 N131 A132L90-L129 HydrophobicContact CB-CD1 4.35Å; L90-L129 HydrophobicContact CD1-CD1 4.36Å; L90-L129 HydrophobicContact CD2-CD1 3.84Å; L90-L129 HydrophobicContact CG-CD1 4.41Å; I93-L129 WeakPolarHBondContact O-CD2 3.5Å; P95-L129 HydrophobicContact CG-CD1 3.73Å; V98-L129 HydrophobicContact CG2-CD1 4.01Å; I125-L129 WeakPolarHBondContact O-CA 3.4Å; I125-L129 WeakPolarHBondContact O-CB 3.38Å; I125-L129 PolarHBondContact O-N 2.86Å; H126-L129 CarbonylContact O-C 3.59Å; L129-N131 PolarHBondContact O-N 3.44Å; L129-A132 HydrophobicContact CB-CB 3.85Å; L129-A132 WeakPolarHBondContact O-CB 3.47Å; L129-A132 PolarHBondContact O-N 2.91Å
130P97.2Very high98.5Very high78 Ų7834.4 Ų34.451%0.50618%0.177SC..THydrogen-bonded Turntrans-62.5-22.2-17124-35.2000114.3H126H126-P130 WeakPolarHBondContact O-CA 3.23Å
131N96.3Very high98.5Very high139 Ų13931 Ų3174%0.74316%0.162SC*.THydrogen-bonded Turntrans-90.9-5.8179.3-59.5-30000113.4L129L129-N131 PolarHBondContact O-N 3.44Å
132A98Very high98.5Very high4 Ų432.6 Ų32.63%0.03317%0.169CC..  trans-87.4139.4-179.700000110.9P95 K96 V98 L129P95-A132 VanDerWaalsContact O-CB 3.32Å; P95-A132 WeakPolarHBondContact O-CB 3.28Å; K96-A132 WeakPolarHBondContact O-CA 3.42Å; V98-A132 HydrophobicContact CG2-CB 4.18Å; L129-A132 HydrophobicContact CB-CB 3.85Å; L129-A132 WeakPolarHBondContact O-CB 3.47Å; L129-A132 PolarHBondContact O-N 2.91Å
133H98.7Very high98.5Very high39 Ų3933.7 Ų33.718%0.18118%0.18CC..EExtended strand (participates in β ladder)trans-87.7126.9168.4-164.591.5000110.3K96 V97 V98 S168 H169 S171K96-H133 PolarHBondContact O-N 3.26Å; V97-H133 WeakPolarHBondContact CA-O 3.27Å; V98-H133 PolarHBondContact N-O 2.88Å; H133-S168 PolarHBondContact CE1-O 3.35Å; H133-H169 WeakPolarHBondContact CA-O 3.32Å; H133-S171 PolarHBondContact NE2-OG 3.06Å
134T98.8Very high98.5Very high0 Ų037.1 Ų37.10%019%0.19CC..EExtended strand (participates in β ladder)trans-92.8112.5178.3-55.70000111.2V98 L100 V122 I125 V136 H169 A170 S171V98-T134 CarbonylContact O-C 3.37Å; V98-T134 WeakPolarHBondContact O-CA 3.33Å; L100-T134 HydrophobicContact CB-CG2 4.41Å; V122-T134 HydrophobicContact CG2-CG2 4.09Å; I125-T134 HydrophobicContact CD1-CG2 4.06Å; I125-T134 WeakPolarHBondContact CG2-OG1 3.15Å; T134-V136 HydrophobicContact CG2-CG2 4.04Å; T134-H169 PolarHBondContact N-O 3.34Å; T134-A170 CarbonylContact O-C 3.59Å; T134-A170 WeakPolarHBondContact O-CA 3.4Å; T134-S171 PolarHBondContact O-N 3.28Å
135L98.9Very high98.5Very high0 Ų040.4 Ų40.40%021%0.205CC..EExtended strand (participates in β ladder)trans-95.4106.9174.1-173.265.3000109.8V97 V98 V99 L100 L137 S171 F173 L209 Q212 I213 L216V97-L135 HydrophobicContact CG1-CB 4.47Å; V98-L135 PolarHBondContact O-N 3.17Å; V99-L135 WeakPolarHBondContact CA-O 3.39Å; L100-L135 PolarHBondContact N-O 3.35Å; L135-L137 HydrophobicContact CD2-CD2 4.22Å; L135-L137 HydrophobicContact CG-CD2 4.1Å; L135-S171 WeakPolarHBondContact CD1-OG 3.44Å; L135-F173 HydrophobicContact CD1-CB 3.75Å; L135-F173 HydrophobicContact CG-CB 4.21Å; L135-L209 HydrophobicContact CD2-CD1 3.72Å; L135-Q212 HydrophobicContact CD1-CG 4.03Å; L135-Q212 HydrophobicContact CD2-CB 4.47Å; L135-Q212 HydrophobicContact CD2-CG 3.87Å; L135-I213 HydrophobicContact CD2-CG1 4.04Å; L135-L216 HydrophobicContact CB-CD1 4.25Å; L135-L216 HydrophobicContact CD1-CD1 4.25Å; L135-L216 HydrophobicContact CD2-CD1 4.26Å
136V98.9Very high98.5Very high3 Ų344.6 Ų44.62%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-92.8120.3179.8-173.50000109.8L100 I118 V122 T134 V160 L164 S171 F172 F173L100-V136 HydrophobicContact CB-CG2 4.41Å; L100-V136 HydrophobicContact CD2-CG2 4.24Å; L100-V136 WeakPolarHBondContact O-CA 3.4Å; I118-V136 HydrophobicContact CG2-CG1 3.78Å; V122-V136 HydrophobicContact CG2-CG2 3.64Å; T134-V136 HydrophobicContact CG2-CG2 4.04Å; V136-V160 HydrophobicContact CG1-CG1 3.94Å; V136-L164 HydrophobicContact CB-CD1 3.76Å; V136-L164 HydrophobicContact CG1-CD1 4.49Å; V136-L164 HydrophobicContact CG2-CD1 3.67Å; V136-S171 PolarHBondContact N-O 3.33Å; V136-F172 CarbonylContact O-C 3.54Å; V136-F172 WeakPolarHBondContact O-CA 3.18Å; V136-F173 PolarHBondContact O-N 2.87Å
137L98.9Very high98.5Very high4 Ų443.8 Ų43.82%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-86.9136.6179.8-52.5-168.3000110.9V99 L100 W101 L135 F173 V175 L209V99-L137 HydrophobicContact CG1-CD1 3.76Å; V99-L137 HydrophobicContact CG1-CD2 4.07Å; V99-L137 HydrophobicContact CG1-CG 3.8Å; L100-L137 PolarHBondContact O-N 3.47Å; W101-L137 HydrophobicContact CB-CB 3.97Å; W101-L137 HydrophobicContact CB-CD1 4.04Å; W101-L137 HydrophobicContact CB-CG 4.17Å; W101-L137 HydrophobicContact CD2-CB 4.04Å; W101-L137 HydrophobicContact CD2-CD1 3.72Å; W101-L137 HydrophobicContact CD2-CG 4.45Å; W101-L137 HydrophobicContact CE3-CD1 3.73Å; W101-L137 HydrophobicContact CG-CB 3.63Å; W101-L137 HydrophobicContact CG-CD1 3.92Å; W101-L137 HydrophobicContact CG-CG 4.19Å; W101-L137 HydrophobicContact CZ3-CD1 4.32Å; L135-L137 HydrophobicContact CD2-CD2 4.22Å; L135-L137 HydrophobicContact CG-CD2 4.1Å; L137-F173 WeakPolarHBondContact CA-O 3.47Å; L137-F173 HydrophobicContact CD2-CB 3.98Å; L137-F173 HydrophobicContact CD2-CD1 3.89Å; L137-F173 HydrophobicContact CD2-CG 4.37Å; L137-V175 HydrophobicContact CB-CG1 4.47Å; L137-L209 HydrophobicContact CD1-CD1 4.19Å; L137-L209 HydrophobicContact CD1-CD2 3.78Å; L137-L209 HydrophobicContact CD2-CD1 3.61Å
138G98.8Very high98.5Very high1 Ų143.5 Ų43.51%0.0123%0.234CC..PPolyproline II helixtrans-57.1138.7174.600000112.7W101 L140 N157 F173W101-G138 PolarHBondContact NE1-O 3.2Å; G138-L140 PolarHBondContact O-N 3.23Å; G138-N157 WeakPolarHBondContact CA-OD1 3.17Å; G138-F173 PolarHBondContact N-O 2.9Å
139V98.8Very high98.5Very high7 Ų742.6 Ų42.64%0.04223%0.232CC..PPolyproline II helixtrans-69.1118.8172.4-167.30000108.6N153 V156 N157V139-N153 HydrophobicContact CB-CB 4.13Å; V139-N153 HydrophobicContact CG1-CB 3.92Å; V139-N153 VanDerWaalsContact CG1-CG 3.45Å; V139-N153 VanDerWaalsContact CG1-ND2 3.34Å; V139-N153 WeakPolarHBondContact CG1-ND2 3.44Å; V139-V156 HydrophobicContact CG2-CG1 3.91Å; V139-N157 PolarHBondContact N-OD1 3.13Å; V139-N157 PolarHBondContact O-ND2 3.19Å
140L98.9Very high98.6Very high8 Ų843.3 Ų43.34%0.04223%0.234CC..PPolyproline II helixtrans-67.9157.2-176.5-70.5178.9000113L49 W101 G138 N153 V175 D176 F179 M191 L197L49-L140 HydrophobicContact CD1-CD1 4.47Å; W101-L140 HydrophobicContact CH2-CD1 4.05Å; W101-L140 HydrophobicContact CZ2-CD1 3.57Å; W101-L140 HydrophobicContact CZ2-CG 3.79Å; G138-L140 PolarHBondContact O-N 3.23Å; L140-N153 PolarHBondContact O-ND2 3.34Å; L140-V175 HydrophobicContact CD2-CG1 3.77Å; L140-V175 HydrophobicContact CG-CG1 4.24Å; L140-D176 HydrophobicContact CD2-CB 3.75Å; L140-F179 HydrophobicContact CD1-CD2 4.4Å; L140-F179 HydrophobicContact CD1-CE2 3.86Å; L140-F179 HydrophobicContact CD2-CD2 4.02Å; L140-F179 HydrophobicContact CD2-CE2 3.89Å; L140-F179 HydrophobicContact CG-CE2 4.5Å; L140-M191 HydrophobicContact CB-CE 4.37Å; L140-M191 HydrophobicContact CD1-CE 4.31Å; L140-L197 HydrophobicContact CD1-CD1 4.11Å; L140-L197 HydrophobicContact CD1-CD2 3.91Å; L140-L197 HydrophobicContact CD1-CG 4.32Å
141P98.8Very high98.6Very high17 Ų1746.3 Ų46.311%0.1124%0.241CC..PPolyproline II helixtrans-63.3154.3166.630.8-37.5000110.9R150 D176 F179 V180 I186 M191P141-R150 HydrophobicContact CB-CG 4.27Å; P141-D176 VanDerWaalsContact CD-OD2 3.29Å; P141-D176 WeakPolarHBondContact CD-OD2 3.16Å; P141-D176 WeakPolarHBondContact CG-OD2 3.35Å; P141-F179 HydrophobicContact CG-CB 4.17Å; P141-V180 HydrophobicContact CB-CG2 3.74Å; P141-V180 HydrophobicContact CG-CG2 3.85Å; P141-I186 HydrophobicContact CB-CD1 4Å; P141-I186 HydrophobicContact CG-CD1 4.21Å; P141-M191 HydrophobicContact CG-CE 4.49Å; P141-M191 WeakPolarHBondContact O-CE 3.29Å
142R98.8Very high98.7Very high34 Ų3441.2 Ų41.213%0.12821%0.212CC..  trans-145.5167179.264.5-173.6-69.5169.9-1.7112.3T104 N147 L149 R150 Y194 L195T104-R142 PolarHBondContact O-NH1 2.91Å; T104-R142 VanDerWaalsContact O-NH1 3.1Å; T104-R142 WeakPolarHBondContact OG1-CD 3.49Å; T104-R142 PolarHBondContact OG1-NH1 3.31Å; R142-N147 PolarHBondContact O-ND2 3.1Å; R142-L149 HydrophobicContact CG-CB 4.1Å; R142-R150 VanDerWaalsContact O-CG 3.22Å; R142-R150 WeakPolarHBondContact O-CG 3.49Å; R142-R150 PolarHBondContact O-NE 2.72Å; R142-Y194 CarbonylContact C-O 3.53Å; R142-Y194 VanDerWaalsContact CA-O 3.29Å; R142-Y194 WeakPolarHBondContact CA-O 3.3Å; R142-Y194 WeakPolarHBondContact CB-O 3.32Å; R142-L195 HydrophobicContact CB-CD1 4.19Å
143G98.8Very high98.8Very high24 Ų2441.1 Ų41.125%0.24721%0.211CC..SBendtrans74.1149.4-174.600000112M145 R150 I186 Y194G143-M145 PolarHBondContact O-N 3.46Å; G143-R150 PolarHBondContact O-NH2 3.44Å; G143-I186 WeakPolarHBondContact O-CD1 3.34Å; G143-Y194 PolarHBondContact N-O 3.1Å
144R98.7Very high98.8Very high151 Ų15142 Ų4257%0.5723%0.225SC*.SBendtrans-62.6-42.6-174.5-176.7-179.9172.9-171-2.9113.4R150 S185 I186 Y194R144-R150 PolarHBondContact O-NH2 3.49Å; R144-S185 CarbonylContact O-C 3.5Å; R144-S185 WeakPolarHBondContact O-CA 3.49Å; R144-I186 PolarHBondContact O-N 3.49Å; R144-Y194 HydrophobicContact CB-CD1 3.74Å; R144-Y194 HydrophobicContact CB-CD2 4.06Å; R144-Y194 HydrophobicContact CB-CE1 3.78Å; R144-Y194 HydrophobicContact CB-CE2 4.09Å; R144-Y194 HydrophobicContact CB-CG 3.88Å; R144-Y194 HydrophobicContact CG-CD1 4.12Å; R144-Y194 HydrophobicContact CG-CE1 3.74Å
145M98.8Very high98.8Very high95 Ų9545.1 Ų45.147%0.46824%0.239SC..SBendtrans-116.5167.7-176.3-64.2-54.4-6500110.8G143 N147 R150G143-M145 PolarHBondContact O-N 3.46Å; M145-N147 PolarHBondContact O-N 3.04Å; M145-N147 PolarHBondContact O-ND2 2.98Å; M145-R150 PolarHBondContact O-NH2 3.06Å
146P98.8Very high98.8Very high88 Ų8845.2 Ų45.257%0.57124%0.24SC*.  trans-49.4135.1174.1-28.637.3000112.2G184P146-G184 WeakPolarHBondContact CD-O 3.49Å
147N98.8Very high98.8Very high37 Ų3746.4 Ų46.420%0.19825%0.246CC..  trans-159.5161.8-176.866.983.5000110.8R142 M145 L149 R150R142-N147 PolarHBondContact O-ND2 3.1Å; M145-N147 PolarHBondContact O-N 3.04Å; M145-N147 PolarHBondContact O-ND2 2.98Å; N147-L149 PolarHBondContact O-N 3.36Å; N147-L149 VanDerWaalsContact O-N 3.1Å; N147-L149 VanDerWaalsContact OD1-CB 3.32Å; N147-L149 WeakPolarHBondContact OD1-CB 3.45Å; N147-L149 PolarHBondContact OD1-N 2.97Å; N147-R150 WeakPolarHBondContact O-CB 3.38Å; N147-R150 PolarHBondContact O-N 3.47Å; N147-R150 PolarHBondContact OD1-N 2.93Å
148P98.8Very high98.8Very high99 Ų9951.3 Ų51.364%0.64327%0.267SS*.Hα-helixtrans-59.1-25.7-175.5-27.536.1000115.2R150 E151 R152P148-R150 VanDerWaalsContact C-N 3.32Å; P148-E151 PolarHBondContact O-N 3.45Å; P148-R152 WeakPolarHBondContact O-CB 3.34Å; P148-R152 PolarHBondContact O-N 2.73Å
149L98.7Very high98.8Very high54 Ų5453.5 Ų53.528%0.28328%0.278SS..Hα-helixtrans-72.5-27178.5-58.8177000112.1R142 N147 N153R142-L149 HydrophobicContact CG-CB 4.1Å; N147-L149 PolarHBondContact O-N 3.36Å; N147-L149 VanDerWaalsContact O-N 3.1Å; N147-L149 VanDerWaalsContact OD1-CB 3.32Å; N147-L149 WeakPolarHBondContact OD1-CB 3.45Å; N147-L149 PolarHBondContact OD1-N 2.97Å; L149-N153 VanDerWaalsContact O-CB 3.3Å; L149-N153 WeakPolarHBondContact O-CB 3.36Å; L149-N153 PolarHBondContact O-N 3.43Å; L149-N153 PolarHBondContact O-OD1 3.22Å
150R98.7Very high98.8Very high27 Ų2753.2 Ų53.210%0.10228%0.277CS..Hα-helixtrans-67.5-44.9172.1-66.5-170.1-174.3179.14.6111.2P141 R142 G143 R144 M145 N147 P148 N153 A154 G184P141-R150 HydrophobicContact CB-CG 4.27Å; R142-R150 VanDerWaalsContact O-CG 3.22Å; R142-R150 WeakPolarHBondContact O-CG 3.49Å; R142-R150 PolarHBondContact O-NE 2.72Å; G143-R150 PolarHBondContact O-NH2 3.44Å; R144-R150 PolarHBondContact O-NH2 3.49Å; M145-R150 PolarHBondContact O-NH2 3.06Å; N147-R150 WeakPolarHBondContact O-CB 3.38Å; N147-R150 PolarHBondContact O-N 3.47Å; N147-R150 PolarHBondContact OD1-N 2.93Å; P148-R150 VanDerWaalsContact C-N 3.32Å; R150-N153 PolarHBondContact O-N 2.92Å; R150-A154 WeakPolarHBondContact O-CB 3.49Å; R150-A154 PolarHBondContact O-N 2.84Å; R150-G184 PolarHBondContact NH1-O 3.33Å; R150-G184 PolarHBondContact NH2-O 3.08Å
151E98.7Very high98.8Very high141 Ų14157.8 Ų57.866%0.65930%0.298SS*.Hα-helixtrans-61.2-47176.3-65.8171.1-165.100110.7P148 N153 A154 E155P148-E151 PolarHBondContact O-N 3.45Å; E151-N153 PolarHBondContact O-N 3.11Å; E151-A154 PolarHBondContact O-N 2.7Å; E151-E155 PolarHBondContact O-N 2.92Å
152R98.8Very high98.8Very high33 Ų3361.5 Ų61.513%0.12532%0.317CS..Hα-helixtrans-58.9-48.3175.8-173.1-167.767.6165.54.8112.2T104 N106 A111 I114 P148 A154 E155 V156T104-R152 PolarHBondContact O-NH2 3.32Å; T104-R152 VanDerWaalsContact O-NH2 3.08Å; N106-R152 PolarHBondContact O-NH1 3.42Å; A111-R152 HydrophobicContact CB-CG 4.23Å; I114-R152 HydrophobicContact CD1-CG 4.5Å; P148-R152 WeakPolarHBondContact O-CB 3.34Å; P148-R152 PolarHBondContact O-N 2.73Å; R152-A154 VanDerWaalsContact C-N 3.31Å; R152-A154 PolarHBondContact O-N 3.47Å; R152-E155 PolarHBondContact O-N 3.41Å; R152-V156 WeakPolarHBondContact O-CG2 3.35Å; R152-V156 PolarHBondContact O-N 2.9Å
153N98.9Very high98.7Very high2 Ų261.6 Ų61.61%0.01133%0.325CS..Hα-helixtrans-64.9-37.1-179-71.43.9000111.2V139 L140 L149 R150 E151 V156 N157V139-N153 HydrophobicContact CB-CB 4.13Å; V139-N153 HydrophobicContact CG1-CB 3.92Å; V139-N153 VanDerWaalsContact CG1-CG 3.45Å; V139-N153 VanDerWaalsContact CG1-ND2 3.34Å; V139-N153 WeakPolarHBondContact CG1-ND2 3.44Å; L140-N153 PolarHBondContact O-ND2 3.34Å; L149-N153 VanDerWaalsContact O-CB 3.3Å; L149-N153 WeakPolarHBondContact O-CB 3.36Å; L149-N153 PolarHBondContact O-N 3.43Å; L149-N153 PolarHBondContact O-OD1 3.22Å; R150-N153 PolarHBondContact O-N 2.92Å; E151-N153 PolarHBondContact O-N 3.11Å; N153-V156 PolarHBondContact O-N 3.29Å; N153-N157 PolarHBondContact O-N 3.42Å; N153-N157 PolarHBondContact O-ND2 3.49Å; N153-N157 PolarHBondContact O-OD1 2.89Å
154A98.8Very high98.7Very high57 Ų5760.7 Ų60.747%0.47132%0.315SS..Hα-helixtrans-64-4217400000112.1R150 E151 R152 N157 K158R150-A154 WeakPolarHBondContact O-CB 3.49Å; R150-A154 PolarHBondContact O-N 2.84Å; E151-A154 PolarHBondContact O-N 2.7Å; R152-A154 VanDerWaalsContact C-N 3.31Å; R152-A154 PolarHBondContact O-N 3.47Å; A154-N157 WeakPolarHBondContact O-CB 3.27Å; A154-N157 PolarHBondContact O-N 2.92Å; A154-K158 PolarHBondContact O-N 3.39Å
155E98.9Very high98.5Very high66 Ų6658.4 Ų58.431%0.30832%0.321SS..Hα-helixtrans-67.1-39.5176.3-171.660.9-16400111.9A111 E151 R152 N157 K158 L159A111-E155 HydrophobicContact CB-CB 3.83Å; A111-E155 HydrophobicContact CB-CG 3.77Å; E151-E155 PolarHBondContact O-N 2.92Å; R152-E155 PolarHBondContact O-N 3.41Å; E155-N157 VanDerWaalsContact C-N 3.3Å; E155-N157 PolarHBondContact O-N 3.47Å; E155-K158 PolarHBondContact O-N 3.27Å; E155-K158 IonicContact OE1-NZ 3.28Å; E155-L159 HydrophobicContact CG-CD1 4.12Å; E155-L159 HydrophobicContact CG-CG 4.39Å; E155-L159 VanDerWaalsContact O-CG 3.31Å; E155-L159 WeakPolarHBondContact O-CG 3.2Å; E155-L159 PolarHBondContact O-N 3.34Å
156V98.9Very high98.2Very high1 Ų158.5 Ų58.51%0.00633%0.332CS..Hα-helixtrans-55.4-48171.3170.70000110.7A111 I114 I118 V139 R152 N153 K158 L159 V160A111-V156 HydrophobicContact CB-CG2 3.84Å; I114-V156 HydrophobicContact CB-CG2 3.82Å; I114-V156 HydrophobicContact CD1-CG2 4.18Å; I114-V156 HydrophobicContact CG2-CG1 3.88Å; I114-V156 HydrophobicContact CG2-CG2 3.84Å; I118-V156 HydrophobicContact CD1-CG1 3.82Å; V139-V156 HydrophobicContact CG2-CG1 3.91Å; R152-V156 WeakPolarHBondContact O-CG2 3.35Å; R152-V156 PolarHBondContact O-N 2.9Å; N153-V156 PolarHBondContact O-N 3.29Å; V156-K158 VanDerWaalsContact C-N 3.33Å; V156-K158 PolarHBondContact O-N 2.99Å; V156-L159 PolarHBondContact O-N 3.34Å; V156-V160 HydrophobicContact CG1-CG2 4.16Å; V156-V160 WeakPolarHBondContact O-CB 3.16Å; V156-V160 VanDerWaalsContact O-CG2 3.27Å; V156-V160 WeakPolarHBondContact O-CG2 3.43Å; V156-V160 PolarHBondContact O-N 2.99Å
157N98.9Very high98Very high28 Ų2856.6 Ų56.615%0.1532%0.316CS..Hα-helixtrans-60.1-44.1-179.3-69.7-16.9000112G138 V139 N153 A154 E155 Q161 F172G138-N157 WeakPolarHBondContact CA-OD1 3.17Å; V139-N157 PolarHBondContact N-OD1 3.13Å; V139-N157 PolarHBondContact O-ND2 3.19Å; N153-N157 PolarHBondContact O-N 3.42Å; N153-N157 PolarHBondContact O-ND2 3.49Å; N153-N157 PolarHBondContact O-OD1 2.89Å; A154-N157 WeakPolarHBondContact O-CB 3.27Å; A154-N157 PolarHBondContact O-N 2.92Å; E155-N157 VanDerWaalsContact C-N 3.3Å; E155-N157 PolarHBondContact O-N 3.47Å; N157-Q161 WeakPolarHBondContact O-CB 3.45Å; N157-Q161 PolarHBondContact O-N 3.33Å; N157-F172 HydrophobicContact CB-CE2 4.27Å; N157-F172 HydrophobicContact CB-CZ 3.78Å
158K98.8Very high97.9Very high107 Ų10760 Ų6047%0.46534%0.344SS..Hα-helixtrans-61-51.7176.6180-172.7166.1-157.20111.5A154 E155 V156 V160 Q161 D162A154-K158 PolarHBondContact O-N 3.39Å; E155-K158 PolarHBondContact O-N 3.27Å; E155-K158 IonicContact OE1-NZ 3.28Å; V156-K158 VanDerWaalsContact C-N 3.33Å; V156-K158 PolarHBondContact O-N 2.99Å; K158-V160 VanDerWaalsContact C-N 3.35Å; K158-V160 PolarHBondContact O-N 3.26Å; K158-Q161 PolarHBondContact O-N 3.08Å; K158-D162 WeakPolarHBondContact O-CB 3.31Å; K158-D162 VanDerWaalsContact O-CG 3.31Å; K158-D162 PolarHBondContact O-N 3.46Å
159L98.8Very high97.8Very high47 Ų4756.7 Ų56.725%0.24632%0.319CS..Hα-helixtrans-60.9-42.9-179-68.4172.5000112.2A111 E112 A115 E155 V156 A163A111-L159 HydrophobicContact CB-CD1 4.27Å; E112-L159 HydrophobicContact CB-CD1 4.47Å; E112-L159 HydrophobicContact CG-CD1 4.04Å; A115-L159 HydrophobicContact CB-CB 3.74Å; A115-L159 HydrophobicContact CB-CD1 4.17Å; E155-L159 HydrophobicContact CG-CD1 4.12Å; E155-L159 HydrophobicContact CG-CG 4.39Å; E155-L159 VanDerWaalsContact O-CG 3.31Å; E155-L159 WeakPolarHBondContact O-CG 3.2Å; E155-L159 PolarHBondContact O-N 3.34Å; V156-L159 PolarHBondContact O-N 3.34Å; L159-A163 VanDerWaalsContact O-CB 3.31Å; L159-A163 WeakPolarHBondContact O-CB 3.4Å; L159-A163 PolarHBondContact O-N 3.03Å
160V98.8Very high97.8Very high2 Ų254.3 Ų54.31%0.01231%0.307CS..Hα-helixtrans-67.5-44177.4172.50000110.8A115 I118 V136 V156 K158 D162 A163 L164 F172A115-V160 HydrophobicContact CB-CG2 3.9Å; I118-V160 HydrophobicContact CB-CG2 4.2Å; I118-V160 HydrophobicContact CD1-CG2 3.91Å; I118-V160 HydrophobicContact CG2-CG1 4.1Å; I118-V160 HydrophobicContact CG2-CG2 4.06Å; V136-V160 HydrophobicContact CG1-CG1 3.94Å; V156-V160 HydrophobicContact CG1-CG2 4.16Å; V156-V160 WeakPolarHBondContact O-CB 3.16Å; V156-V160 VanDerWaalsContact O-CG2 3.27Å; V156-V160 WeakPolarHBondContact O-CG2 3.43Å; V156-V160 PolarHBondContact O-N 2.99Å; K158-V160 VanDerWaalsContact C-N 3.35Å; K158-V160 PolarHBondContact O-N 3.26Å; V160-D162 VanDerWaalsContact C-N 3.35Å; V160-D162 PolarHBondContact O-N 3.41Å; V160-A163 PolarHBondContact O-N 2.66Å; V160-L164 HydrophobicContact CG1-CD1 3.61Å; V160-L164 HydrophobicContact CG1-CG 4.1Å; V160-L164 WeakPolarHBondContact O-CB 3.38Å; V160-L164 WeakPolarHBondContact O-CG 3.21Å; V160-L164 PolarHBondContact O-N 2.86Å; V160-F172 HydrophobicContact CB-CD2 4.49Å; V160-F172 HydrophobicContact CG1-CD2 3.94Å; V160-F172 HydrophobicContact CG1-CE2 4.43Å
161Q98.6Very high97.8Very high104 Ų10454.4 Ų54.449%0.48631%0.312SS..Hα-helixtrans-59.2-46.6176.9-177.2175.319.700111.6N157 K158 L164 S165 F172N157-Q161 WeakPolarHBondContact O-CB 3.45Å; N157-Q161 PolarHBondContact O-N 3.33Å; K158-Q161 PolarHBondContact O-N 3.08Å; Q161-L164 PolarHBondContact O-N 3.05Å; Q161-S165 PolarHBondContact O-N 3.17Å; Q161-F172 HydrophobicContact CB-CB 4.15Å; Q161-F172 HydrophobicContact CB-CD1 3.86Å; Q161-F172 HydrophobicContact CB-CD2 4.34Å; Q161-F172 HydrophobicContact CB-CE1 4.34Å; Q161-F172 HydrophobicContact CB-CG 3.85Å; Q161-F172 HydrophobicContact CG-CB 4.18Å; Q161-F172 HydrophobicContact CG-CD1 3.91Å; Q161-F172 HydrophobicContact CG-CG 4.17Å
162D98.4Very high97.8Very high94 Ų9449.5 Ų49.550%0.50329%0.289SS..Hα-helixtrans-61.7-46.1178-71.8-16.6000110.9K158 V160 L164 S165K158-D162 WeakPolarHBondContact O-CB 3.31Å; K158-D162 VanDerWaalsContact O-CG 3.31Å; K158-D162 PolarHBondContact O-N 3.46Å; V160-D162 VanDerWaalsContact C-N 3.35Å; V160-D162 PolarHBondContact O-N 3.41Å; D162-L164 PolarHBondContact O-N 3.14Å; D162-S165 WeakPolarHBondContact O-CB 3.36Å; D162-S165 PolarHBondContact O-N 2.58Å; D162-S165 PolarHBondContact O-OG 3.38Å
163A98Very high97.8Very high37 Ų3749.5 Ų49.531%0.30629%0.29SS..Hα-helixtrans-64-41.8179.900000112.8M119 L159 V160 S165 S166M119-A163 HydrophobicContact CE-CB 3.94Å; M119-A163 HydrophobicContact CG-CB 4.15Å; M119-A163 HydrophobicContact SD-CB 3.69Å; L159-A163 VanDerWaalsContact O-CB 3.31Å; L159-A163 WeakPolarHBondContact O-CB 3.4Å; L159-A163 PolarHBondContact O-N 3.03Å; V160-A163 PolarHBondContact O-N 2.66Å; A163-S165 VanDerWaalsContact C-N 3.29Å; A163-S165 PolarHBondContact O-N 3.07Å; A163-S166 PolarHBondContact O-OG 3.14Å
164L98.1Very high97.8Very high5 Ų554.1 Ų54.13%0.02632%0.315CS..Hα-helixtrans-72.2-20.1-179.6-67.2178.6000113.3M119 V122 V136 V160 Q161 D162 S166 L167 A170 F172M119-L164 HydrophobicContact CE-CD2 3.83Å; M119-L164 HydrophobicContact SD-CD2 3.77Å; M119-L164 HydrophobicContact SD-CG 4.1Å; V122-L164 HydrophobicContact CG1-CD2 4.18Å; V122-L164 HydrophobicContact CG2-CD2 4.31Å; V136-L164 HydrophobicContact CB-CD1 3.76Å; V136-L164 HydrophobicContact CG1-CD1 4.49Å; V136-L164 HydrophobicContact CG2-CD1 3.67Å; V160-L164 HydrophobicContact CG1-CD1 3.61Å; V160-L164 HydrophobicContact CG1-CG 4.1Å; V160-L164 WeakPolarHBondContact O-CB 3.38Å; V160-L164 WeakPolarHBondContact O-CG 3.21Å; V160-L164 PolarHBondContact O-N 2.86Å; Q161-L164 PolarHBondContact O-N 3.05Å; D162-L164 PolarHBondContact O-N 3.14Å; L164-S166 PolarHBondContact O-N 3.47Å; L164-L167 HydrophobicContact CD2-CD1 3.95Å; L164-L167 PolarHBondContact O-N 3.26Å; L164-A170 HydrophobicContact CD2-CB 3.76Å; L164-F172 HydrophobicContact CD1-CB 4.03Å
165S95.1Very high97.6Very high102 Ų10251.6 Ų51.671%0.71329%0.293SS*.THydrogen-bonded Turntrans-59.1-20.8-17871.90000114.4Q161 D162 A163Q161-S165 PolarHBondContact O-N 3.17Å; D162-S165 WeakPolarHBondContact O-CB 3.36Å; D162-S165 PolarHBondContact O-N 2.58Å; D162-S165 PolarHBondContact O-OG 3.38Å; A163-S165 VanDerWaalsContact C-N 3.29Å; A163-S165 PolarHBondContact O-N 3.07Å
166S91.7Very high97.6Very high98 Ų9850.6 Ų50.669%0.68529%0.29SS*.THydrogen-bonded Turntrans-96.4-4.4178.764.40000114.3A163 L164A163-S166 PolarHBondContact O-OG 3.14Å; L164-S166 PolarHBondContact O-N 3.47Å
167L95.9Very high97.5Very high47 Ų4754.1 Ų54.125%0.24631%0.313CS..  trans-103.2123.8-175.8-55.9-173.4000110.9M119 V122 L164 A170M119-L167 HydrophobicContact CE-CD1 3.76Å; V122-L167 HydrophobicContact CG1-CD1 4.32Å; L164-L167 HydrophobicContact CD2-CD1 3.95Å; L164-L167 PolarHBondContact O-N 3.26Å; L167-A170 HydrophobicContact CB-CB 4.33Å; L167-A170 HydrophobicContact CD1-CB 4.48Å; L167-A170 VanDerWaalsContact O-O 3.05Å
168S96.2Very high97.5Very high110 Ų11055.1 Ų55.177%0.76933%0.33SS*.THydrogen-bonded Turntrans-73.6-28.2176.654.60000113.4H133H133-S168 PolarHBondContact CE1-O 3.35Å
169H96.6Very high97.4Very high28 Ų2850.2 Ų50.213%0.1331%0.309CS..THydrogen-bonded Turntrans-91.13-175.161.2-93.4000113.7H126 H133 T134H126-H169 AromaticContact CD2-CE1 3.81Å; H126-H169 AromaticContact CD2-NE2 3.92Å; H126-H169 AromaticContact CE1-CG 3.82Å; H126-H169 AromaticContact CE1-ND1 3.83Å; H126-H169 AromaticContact CG-CD2 3.56Å; H126-H169 AromaticContact CG-CE1 3.9Å; H126-H169 AromaticContact CG-CG 3.84Å; H126-H169 AromaticContact CG-NE2 3.63Å; H126-H169 AromaticContact ND1-CD2 3.63Å; H126-H169 AromaticContact ND1-CG 3.5Å; H126-H169 AromaticContact ND1-ND1 3.89Å; H126-H169 AromaticContact NE2-ND1 3.94Å; H133-H169 WeakPolarHBondContact CA-O 3.32Å; T134-H169 PolarHBondContact N-O 3.34Å
170A98.5Very high97.4Very high4 Ų450.8 Ų50.83%0.03331%0.314CS..EExtended strand (participates in β ladder)trans-146153.3-178.500000111.7V122 T134 L164 L167V122-A170 HydrophobicContact CG1-CB 3.75Å; T134-A170 CarbonylContact O-C 3.59Å; T134-A170 WeakPolarHBondContact O-CA 3.4Å; L164-A170 HydrophobicContact CD2-CB 3.76Å; L167-A170 HydrophobicContact CB-CB 4.33Å; L167-A170 HydrophobicContact CD1-CB 4.48Å; L167-A170 VanDerWaalsContact O-O 3.05Å
171S98.6Very high97.4Very high30 Ų3054.5 Ų54.521%0.2133%0.333CS..EExtended strand (participates in β ladder)trans-149.4145.9177.756.40000111.9H133 T134 L135 V136H133-S171 PolarHBondContact NE2-OG 3.06Å; T134-S171 PolarHBondContact O-N 3.28Å; L135-S171 WeakPolarHBondContact CD1-OG 3.44Å; V136-S171 PolarHBondContact N-O 3.33Å
172F98.8Very high97.4Very high37 Ų3756.1 Ų56.116%0.16236%0.356CS..EExtended strand (participates in β ladder)trans-83139.9171.8-175-101.6000111.5V136 N157 V160 Q161 L164 N174V136-F172 CarbonylContact O-C 3.54Å; V136-F172 WeakPolarHBondContact O-CA 3.18Å; N157-F172 HydrophobicContact CB-CE2 4.27Å; N157-F172 HydrophobicContact CB-CZ 3.78Å; V160-F172 HydrophobicContact CB-CD2 4.49Å; V160-F172 HydrophobicContact CG1-CD2 3.94Å; V160-F172 HydrophobicContact CG1-CE2 4.43Å; Q161-F172 HydrophobicContact CB-CB 4.15Å; Q161-F172 HydrophobicContact CB-CD1 3.86Å; Q161-F172 HydrophobicContact CB-CD2 4.34Å; Q161-F172 HydrophobicContact CB-CE1 4.34Å; Q161-F172 HydrophobicContact CB-CG 3.85Å; Q161-F172 HydrophobicContact CG-CB 4.18Å; Q161-F172 HydrophobicContact CG-CD1 3.91Å; Q161-F172 HydrophobicContact CG-CG 4.17Å; L164-F172 HydrophobicContact CD1-CB 4.03Å; F172-N174 HydrophobicContact CE1-CB 4.02Å
173F98.6Very high97.4Very high33 Ų3356.7 Ų56.715%0.14536%0.359CS..EExtended strand (participates in β ladder)trans-128.7114.8172-173.5-104.2000110.7L135 V136 L137 G138 V175 P208 L209 Q212L135-F173 HydrophobicContact CD1-CB 3.75Å; L135-F173 HydrophobicContact CG-CB 4.21Å; V136-F173 PolarHBondContact O-N 2.87Å; L137-F173 WeakPolarHBondContact CA-O 3.47Å; L137-F173 HydrophobicContact CD2-CB 3.98Å; L137-F173 HydrophobicContact CD2-CD1 3.89Å; L137-F173 HydrophobicContact CD2-CG 4.37Å; G138-F173 PolarHBondContact N-O 2.9Å; F173-V175 HydrophobicContact CD1-CB 4.01Å; F173-V175 HydrophobicContact CD1-CG2 4.2Å; F173-V175 HydrophobicContact CE1-CB 4.16Å; F173-V175 HydrophobicContact CE1-CG2 3.98Å; F173-V175 PolarHBondContact O-N 3.28Å; F173-P208 HydrophobicContact CZ-CB 4.06Å; F173-L209 HydrophobicContact CD1-CD1 4.33Å; F173-L209 HydrophobicContact CE1-CB 4.19Å; F173-L209 HydrophobicContact CE1-CD1 4.41Å; F173-Q212 HydrophobicContact CD2-CB 4.22Å; F173-Q212 HydrophobicContact CD2-CG 3.87Å; F173-Q212 HydrophobicContact CE2-CB 3.89Å; F173-Q212 HydrophobicContact CE2-CG 4.03Å; F173-Q212 HydrophobicContact CZ-CB 4.29Å
174N98.1Very high97.4Very high100 Ų10055.7 Ų55.754%0.53535%0.352SS..  trans-74.1108.9170.8-175.812.8000109.2F172 D176F172-N174 HydrophobicContact CE1-CB 4.02Å; N174-D176 WeakPolarHBondContact OD1-CB 3.34Å; N174-D176 PolarHBondContact OD1-N 2.89Å; N174-D176 VanDerWaalsContact OD1-N 3.14Å
175V96.1Very high97.4Very high4 Ų456.2 Ų56.22%0.02436%0.356CS..  trans-94.2-2.6-176.9800000112.7W101 L137 L140 F173 P177 V205W101-V175 HydrophobicContact CH2-CG1 4.18Å; W101-V175 HydrophobicContact CZ2-CG1 3.5Å; L137-V175 HydrophobicContact CB-CG1 4.47Å; L140-V175 HydrophobicContact CD2-CG1 3.77Å; L140-V175 HydrophobicContact CG-CG1 4.24Å; F173-V175 HydrophobicContact CD1-CB 4.01Å; F173-V175 HydrophobicContact CD1-CG2 4.2Å; F173-V175 HydrophobicContact CE1-CB 4.16Å; F173-V175 HydrophobicContact CE1-CG2 3.98Å; F173-V175 PolarHBondContact O-N 3.28Å; V175-P177 VanDerWaalsContact O-CD 3.28Å; V175-P177 WeakPolarHBondContact O-CD 3.37Å; V175-V205 HydrophobicContact CG2-CB 4.01Å; V175-V205 HydrophobicContact CG2-CG1 3.27Å; V175-V205 HydrophobicContact CG2-CG2 4.23Å
176D97.9Very high97.6Very high45 Ų4551.4 Ų51.424%0.24132%0.322CS..  trans-75.3114.8178.4-172.5-4.2000110.8L140 P141 N174 G178 F179L140-D176 HydrophobicContact CD2-CB 3.75Å; P141-D176 VanDerWaalsContact CD-OD2 3.29Å; P141-D176 WeakPolarHBondContact CD-OD2 3.16Å; P141-D176 WeakPolarHBondContact CG-OD2 3.35Å; N174-D176 WeakPolarHBondContact OD1-CB 3.34Å; N174-D176 PolarHBondContact OD1-N 2.89Å; N174-D176 VanDerWaalsContact OD1-N 3.14Å; D176-G178 PolarHBondContact O-N 2.76Å; D176-G178 WeakPolarHBondContact OD1-CA 3.46Å; D176-G178 PolarHBondContact OD1-N 3.3Å; D176-F179 VanDerWaalsContact OD1-CD2 3.28Å; D176-F179 WeakPolarHBondContact OD1-CD2 3.46Å; D176-F179 PolarHBondContact OD1-N 3.02Å
177P97.3Very high97.9Very high74 Ų7448.1 Ų48.148%0.48130%0.3SS..SBendtrans-77.4-0.1176.235.7-37000113.1V175 F179 A204V175-P177 VanDerWaalsContact O-CD 3.28Å; V175-P177 WeakPolarHBondContact O-CD 3.37Å; P177-F179 HydrophobicContact CG-CD1 4.08Å; P177-F179 HydrophobicContact CG-CD2 4.25Å; P177-F179 HydrophobicContact CG-CE1 3.73Å; P177-F179 HydrophobicContact CG-CE2 3.93Å; P177-F179 HydrophobicContact CG-CG 4.33Å; P177-F179 HydrophobicContact CG-CZ 3.66Å; P177-A204 HydrophobicContact CB-CB 4.07Å; P177-A204 HydrophobicContact CG-CB 3.81Å
178G97.8Very high98Very high49 Ų4951.2 Ų51.251%0.50531%0.312SS..  trans105.447.9-172.700000112.6D176 V180D176-G178 PolarHBondContact O-N 2.76Å; D176-G178 WeakPolarHBondContact OD1-CA 3.46Å; D176-G178 PolarHBondContact OD1-N 3.3Å; G178-V180 PolarHBondContact O-N 2.78Å
179F98.6Very high98.1Very high5 Ų552.1 Ų52.12%0.02230%0.304CS..  trans-64.2-24.3-179.3-72.1-53.8000114.3L140 P141 D176 P177 D190 M191 L197 V205L140-F179 HydrophobicContact CD1-CD2 4.4Å; L140-F179 HydrophobicContact CD1-CE2 3.86Å; L140-F179 HydrophobicContact CD2-CD2 4.02Å; L140-F179 HydrophobicContact CD2-CE2 3.89Å; L140-F179 HydrophobicContact CG-CE2 4.5Å; P141-F179 HydrophobicContact CG-CB 4.17Å; D176-F179 VanDerWaalsContact OD1-CD2 3.28Å; D176-F179 WeakPolarHBondContact OD1-CD2 3.46Å; D176-F179 PolarHBondContact OD1-N 3.02Å; P177-F179 HydrophobicContact CG-CD1 4.08Å; P177-F179 HydrophobicContact CG-CD2 4.25Å; P177-F179 HydrophobicContact CG-CE1 3.73Å; P177-F179 HydrophobicContact CG-CE2 3.93Å; P177-F179 HydrophobicContact CG-CG 4.33Å; P177-F179 HydrophobicContact CG-CZ 3.66Å; F179-D190 HydrophobicContact CD1-CB 3.67Å; F179-D190 HydrophobicContact CE1-CB 3.83Å; F179-M191 HydrophobicContact CB-CE 3.93Å; F179-M191 HydrophobicContact CD1-CE 4.32Å; F179-M191 HydrophobicContact CD2-CE 3.39Å; F179-M191 HydrophobicContact CE2-CE 3.89Å; F179-M191 HydrophobicContact CG-CE 3.64Å; F179-L197 HydrophobicContact CE1-CD2 4.3Å; F179-L197 HydrophobicContact CE2-CD2 3.8Å; F179-L197 HydrophobicContact CZ-CD2 3.59Å; F179-V205 HydrophobicContact CE2-CG2 3.88Å; F179-V205 HydrophobicContact CZ-CG2 3.74Å
180V98.6Very high98.2Very high59 Ų5952 Ų5236%0.35831%0.305SS..BIsolated β-bridgetrans-85.3113.6175.2-177.80000109.1P141 G178 I186P141-V180 HydrophobicContact CB-CG2 3.74Å; P141-V180 HydrophobicContact CG-CG2 3.85Å; G178-V180 PolarHBondContact O-N 2.78Å; V180-I186 HydrophobicContact CG2-CD1 4.3Å; V180-I186 HydrophobicContact CG2-CG1 4.09Å
181L98.3Very high98.2Very high80 Ų8051.8 Ų51.842%0.41930%0.303SS..  trans-72169.3178.4-57.1-179.8000111.6D183 G184 S185L181-D183 WeakPolarHBondContact CB-OD1 3.29Å; L181-D183 PolarHBondContact O-N 3.21Å; L181-G184 WeakPolarHBondContact O-CA 3.35Å; L181-G184 PolarHBondContact O-N 3.41Å; L181-S185 PolarHBondContact N-O 3.31Å
182S98.1Very high98.2Very high138 Ų13856 Ų5697%0.96532%0.315SS*.THydrogen-bonded Turntrans-61.7-25.2-179.754.60000114.2G184S182-G184 PolarHBondContact O-N 3.23Å
183D97.9Very high98.2Very high106 Ų10657.4 Ų57.457%0.56733%0.325SS*.THydrogen-bonded Turntrans-82.63.1173.272.3-7.4000113.3L181 S185L181-D183 WeakPolarHBondContact CB-OD1 3.29Å; L181-D183 PolarHBondContact O-N 3.21Å; D183-S185 VanDerWaalsContact C-N 3.26Å; D183-S185 VanDerWaalsContact CG-OG 3.28Å; D183-S185 PolarHBondContact O-N 2.8Å; D183-S185 WeakPolarHBondContact OD1-CB 3.41Å; D183-S185 PolarHBondContact OD1-N 3.31Å; D183-S185 PolarHBondContact OD1-OG 3.5Å; D183-S185 PolarHBondContact OD2-OG 2.83Å
184G98.3Very high98.2Very high15 Ų1559.1 Ų59.116%0.15533%0.331CS..SBendtrans79.51.1-177.600000114.2P146 R150 L181 S182P146-G184 WeakPolarHBondContact CD-O 3.49Å; R150-G184 PolarHBondContact NH1-O 3.33Å; R150-G184 PolarHBondContact NH2-O 3.08Å; L181-G184 WeakPolarHBondContact O-CA 3.35Å; L181-G184 PolarHBondContact O-N 3.41Å; S182-G184 PolarHBondContact O-N 3.23Å
185S98.7Very high98.3Very high16 Ų1655.7 Ų55.711%0.11231%0.312CS..  trans-85.1158-179.975.60000113R144 L181 D183R144-S185 CarbonylContact O-C 3.5Å; R144-S185 WeakPolarHBondContact O-CA 3.49Å; L181-S185 PolarHBondContact N-O 3.31Å; D183-S185 VanDerWaalsContact C-N 3.26Å; D183-S185 VanDerWaalsContact CG-OG 3.28Å; D183-S185 PolarHBondContact O-N 2.8Å; D183-S185 WeakPolarHBondContact OD1-CB 3.41Å; D183-S185 PolarHBondContact OD1-N 3.31Å; D183-S185 PolarHBondContact OD1-OG 3.5Å; D183-S185 PolarHBondContact OD2-OG 2.83Å
186I98.9Very high98.4Very high2 Ų257.1 Ų57.11%0.0132%0.318CS..BIsolated β-bridgetrans-109132.3165-67.7171.2000108P141 G143 R144 V180 M191P141-I186 HydrophobicContact CB-CD1 4Å; P141-I186 HydrophobicContact CG-CD1 4.21Å; G143-I186 WeakPolarHBondContact O-CD1 3.34Å; R144-I186 PolarHBondContact O-N 3.49Å; V180-I186 HydrophobicContact CG2-CD1 4.3Å; V180-I186 HydrophobicContact CG2-CG1 4.09Å; I186-M191 HydrophobicContact CD1-SD 4.28Å; I186-M191 HydrophobicContact CG2-CB 4.02Å; I186-M191 HydrophobicContact CG2-CG 3.94Å; I186-M191 HydrophobicContact CG2-SD 3.91Å
187S98.6Very high98.4Very high29 Ų2955 Ų5520%0.20331%0.307CS..  trans-73138.5177.9-175.50000111.4Q189 D190 M191S187-Q189 PolarHBondContact O-N 3.02Å; S187-Q189 WeakPolarHBondContact OG-CB 3.48Å; S187-Q189 PolarHBondContact OG-N 3.36Å; S187-Q189 VanDerWaalsContact OG-N 3.16Å; S187-D190 WeakPolarHBondContact CB-OD2 3.5Å; S187-D190 PolarHBondContact O-N 3.21Å; S187-D190 VanDerWaalsContact O-N 3.1Å; S187-M191 PolarHBondContact O-N 3.37Å
188H98.3Very high98.5Very high112 Ų11252.7 Ų52.752%0.51929%0.291SS..THydrogen-bonded Turntrans-68.5-14.5170.871.6-81.3000112.7D190 M191 Y192 Y194H188-D190 VanDerWaalsContact C-N 3.28Å; H188-M191 VanDerWaalsContact CA-O 3.32Å; H188-M191 WeakPolarHBondContact CA-O 3.44Å; H188-M191 CarbonylContact O-C 3.58Å; H188-Y192 WeakPolarHBondContact O-CA 3.28Å; H188-Y194 HydrophobicContact CB-CE1 4.13Å
189Q98.3Very high98.5Very high128 Ų12853.1 Ų53.160%0.59829%0.291SS*.THydrogen-bonded Turntrans-73.2-24172.3-62.2-178.5000111.8S187 T198S187-Q189 PolarHBondContact O-N 3.02Å; S187-Q189 WeakPolarHBondContact OG-CB 3.48Å; S187-Q189 PolarHBondContact OG-N 3.36Å; S187-Q189 VanDerWaalsContact OG-N 3.16Å; Q189-T198 WeakPolarHBondContact O-CB 3.48Å; Q189-T198 WeakPolarHBondContact O-CG2 3.31Å; Q189-T198 PolarHBondContact O-OG1 3.42Å
190D98.6Very high98.5Very high25 Ų2558.2 Ų58.213%0.13431%0.314CS..THydrogen-bonded Turntrans-93.5-43.8175.2-60.9-43.9000111.2F179 S187 H188 L197 T198 H200F179-D190 HydrophobicContact CD1-CB 3.67Å; F179-D190 HydrophobicContact CE1-CB 3.83Å; S187-D190 WeakPolarHBondContact CB-OD2 3.5Å; S187-D190 PolarHBondContact O-N 3.21Å; S187-D190 VanDerWaalsContact O-N 3.1Å; H188-D190 VanDerWaalsContact C-N 3.28Å; D190-L197 CarbonylContact O-C 3.47Å; D190-L197 WeakPolarHBondContact O-CA 3.44Å; D190-T198 PolarHBondContact O-N 3.19Å; D190-T198 PolarHBondContact O-OG1 3.26Å; D190-H200 IonicContact OD1-CD2 2.75Å; D190-H200 PolarHBondContact OD1-CD2 3.38Å; D190-H200 VanDerWaalsContact OD1-CD2 3.28Å; D190-H200 IonicContact OD1-NE2 2.78Å
191M98.8Very high98.4Very high0 Ų055.4 Ų55.40%030%0.297CS..BIsolated β-bridgetrans-131.1102.1179.2-59.1-170.5-172.400111.2L140 P141 F179 I186 S187 H188 D193 Y194 H196 L197L140-M191 HydrophobicContact CB-CE 4.37Å; L140-M191 HydrophobicContact CD1-CE 4.31Å; P141-M191 HydrophobicContact CG-CE 4.49Å; P141-M191 WeakPolarHBondContact O-CE 3.29Å; F179-M191 HydrophobicContact CB-CE 3.93Å; F179-M191 HydrophobicContact CD1-CE 4.32Å; F179-M191 HydrophobicContact CD2-CE 3.39Å; F179-M191 HydrophobicContact CE2-CE 3.89Å; F179-M191 HydrophobicContact CG-CE 3.64Å; I186-M191 HydrophobicContact CD1-SD 4.28Å; I186-M191 HydrophobicContact CG2-CB 4.02Å; I186-M191 HydrophobicContact CG2-CG 3.94Å; I186-M191 HydrophobicContact CG2-SD 3.91Å; S187-M191 PolarHBondContact O-N 3.37Å; H188-M191 VanDerWaalsContact CA-O 3.32Å; H188-M191 WeakPolarHBondContact CA-O 3.44Å; H188-M191 CarbonylContact O-C 3.58Å; M191-D193 PolarHBondContact O-N 2.94Å; M191-D193 VanDerWaalsContact O-N 3.08Å; M191-Y194 PolarHBondContact O-N 3.48Å; M191-H196 CarbonylContact C-O 3.49Å; M191-H196 WeakPolarHBondContact CA-O 3.38Å; M191-L197 HydrophobicContact CE-CD2 3.85Å; M191-L197 HydrophobicContact CG-CD2 3.85Å; M191-L197 HydrophobicContact SD-CD2 4.47Å
192Y98.6Very high98.5Very high118 Ų11851.6 Ų51.646%0.46328%0.277SS..THydrogen-bonded Turntrans-62.6-25.4-167.458.2-99.4000114.5H188 H196 T198H188-Y192 WeakPolarHBondContact O-CA 3.28Å; Y192-H196 HydrophobicContact CD1-CB 4.41Å; Y192-H196 WeakPolarHBondContact CD1-O 3.42Å; Y192-H196 HydrophobicContact CE1-CB 3.54Å; Y192-H196 HydrophobicContact CE2-CB 4.07Å; Y192-H196 PolarHBondContact N-O 3.01Å; Y192-H196 VanDerWaalsContact N-O 3.17Å; Y192-H196 WeakPolarHBondContact OH-CB 3.49Å; Y192-T198 HydrophobicContact CD1-CG2 4.15Å
193D98.7Very high98.4Very high68 Ų6849.4 Ų49.436%0.36425%0.252SS..THydrogen-bonded Turntrans-122.418.5174.6641.5000112.3M191 L195 H196M191-D193 PolarHBondContact O-N 2.94Å; M191-D193 VanDerWaalsContact O-N 3.08Å; D193-L195 PolarHBondContact O-N 3.22Å; D193-L195 PolarHBondContact OD1-N 2.87Å; D193-H196 IonicContact OD1-CG 3.9Å; D193-H196 PolarHBondContact OD1-N 2.89Å; D193-H196 IonicContact OD1-ND1 3.81Å; D193-H196 PolarHBondContact OD1-ND1 3.14Å; D193-H196 IonicContact OD2-CE1 3.84Å; D193-H196 IonicContact OD2-CG 3.91Å; D193-H196 IonicContact OD2-ND1 3.87Å; D193-H196 PolarHBondContact OD2-ND1 3.05Å
194Y98.8Very high98.4Very high69 Ų6946 Ų4627%0.27124%0.238SC..SBendtrans61.722.6-176-39.4-73.8000114.2R142 G143 R144 H188 M191R142-Y194 CarbonylContact C-O 3.53Å; R142-Y194 VanDerWaalsContact CA-O 3.29Å; R142-Y194 WeakPolarHBondContact CA-O 3.3Å; R142-Y194 WeakPolarHBondContact CB-O 3.32Å; G143-Y194 PolarHBondContact N-O 3.1Å; R144-Y194 HydrophobicContact CB-CD1 3.74Å; R144-Y194 HydrophobicContact CB-CD2 4.06Å; R144-Y194 HydrophobicContact CB-CE1 3.78Å; R144-Y194 HydrophobicContact CB-CE2 4.09Å; R144-Y194 HydrophobicContact CB-CG 3.88Å; R144-Y194 HydrophobicContact CG-CD1 4.12Å; R144-Y194 HydrophobicContact CG-CE1 3.74Å; H188-Y194 HydrophobicContact CB-CE1 4.13Å; M191-Y194 PolarHBondContact O-N 3.48Å
195L98.8Very high98.4Very high27 Ų2745.3 Ų45.314%0.14123%0.231CC..SBendtrans-138.4-55.8172.8171.960.7000110.9T104 R142 D193T104-L195 HydrophobicContact CG2-CD1 4.34Å; R142-L195 HydrophobicContact CB-CD1 4.19Å; D193-L195 PolarHBondContact O-N 3.22Å; D193-L195 PolarHBondContact OD1-N 2.87Å
196H98.8Very high98.4Very high35 Ų3544.5 Ų44.516%0.16223%0.226CC..SBendtrans-88.9134.4-176.8-59.4107.3000110.3S48 L52 M191 Y192 D193S48-H196 PolarHBondContact OG-NE2 3.29Å; L52-H196 HydrophobicContact CD1-CB 4.1Å; L52-H196 VanDerWaalsContact CD1-CD2 3.46Å; L52-H196 WeakPolarHBondContact CD1-CD2 3.17Å; M191-H196 CarbonylContact C-O 3.49Å; M191-H196 WeakPolarHBondContact CA-O 3.38Å; Y192-H196 HydrophobicContact CD1-CB 4.41Å; Y192-H196 WeakPolarHBondContact CD1-O 3.42Å; Y192-H196 HydrophobicContact CE1-CB 3.54Å; Y192-H196 HydrophobicContact CE2-CB 4.07Å; Y192-H196 PolarHBondContact N-O 3.01Å; Y192-H196 VanDerWaalsContact N-O 3.17Å; Y192-H196 WeakPolarHBondContact OH-CB 3.49Å; D193-H196 IonicContact OD1-CG 3.9Å; D193-H196 PolarHBondContact OD1-N 2.89Å; D193-H196 IonicContact OD1-ND1 3.81Å; D193-H196 PolarHBondContact OD1-ND1 3.14Å; D193-H196 IonicContact OD2-CE1 3.84Å; D193-H196 IonicContact OD2-CG 3.91Å; D193-H196 IonicContact OD2-ND1 3.87Å; D193-H196 PolarHBondContact OD2-ND1 3.05Å
197L98.8Very high98.3Very high0 Ų049.3 Ų49.30%025%0.248CC..BIsolated β-bridgetrans-70.7144.4-177.8-56.9176.9000111L49 W101 L140 F179 D190 M191 Y202 V205L49-L197 HydrophobicContact CD2-CG 4.32Å; W101-L197 HydrophobicContact CH2-CD1 4.19Å; L140-L197 HydrophobicContact CD1-CD1 4.11Å; L140-L197 HydrophobicContact CD1-CD2 3.91Å; L140-L197 HydrophobicContact CD1-CG 4.32Å; F179-L197 HydrophobicContact CE1-CD2 4.3Å; F179-L197 HydrophobicContact CE2-CD2 3.8Å; F179-L197 HydrophobicContact CZ-CD2 3.59Å; D190-L197 CarbonylContact O-C 3.47Å; D190-L197 WeakPolarHBondContact O-CA 3.44Å; M191-L197 HydrophobicContact CE-CD2 3.85Å; M191-L197 HydrophobicContact CG-CD2 3.85Å; M191-L197 HydrophobicContact SD-CD2 4.47Å; L197-Y202 HydrophobicContact CB-CD1 4.39Å; L197-Y202 HydrophobicContact CB-CD2 3.59Å; L197-Y202 HydrophobicContact CB-CE1 4.42Å; L197-Y202 HydrophobicContact CB-CE2 3.62Å; L197-Y202 HydrophobicContact CB-CG 3.99Å; L197-Y202 HydrophobicContact CD1-CD1 3.73Å; L197-Y202 HydrophobicContact CD1-CD2 4.45Å; L197-Y202 HydrophobicContact CD1-CE1 3.75Å; L197-Y202 HydrophobicContact CD1-CE2 4.46Å; L197-Y202 HydrophobicContact CD1-CG 4.09Å; L197-Y202 HydrophobicContact CG-CE2 4.48Å; L197-V205 HydrophobicContact CD1-CB 4.32Å; L197-V205 HydrophobicContact CD1-CG1 4.46Å; L197-V205 HydrophobicContact CD1-CG2 3.83Å
198T98.7Very high98.2Very high25 Ų2550.8 Ų50.815%0.15326%0.257CS..  trans-76.2177164.468.30000110.5Q189 D190 Y192 H200 G201 Y202Q189-T198 WeakPolarHBondContact O-CB 3.48Å; Q189-T198 WeakPolarHBondContact O-CG2 3.31Å; Q189-T198 PolarHBondContact O-OG1 3.42Å; D190-T198 PolarHBondContact O-N 3.19Å; D190-T198 PolarHBondContact O-OG1 3.26Å; Y192-T198 HydrophobicContact CD1-CG2 4.15Å; T198-H200 PolarHBondContact O-N 3.3Å; T198-H200 PolarHBondContact OG1-N 2.95Å; T198-H200 VanDerWaalsContact OG1-N 3.14Å; T198-G201 PolarHBondContact O-N 2.92Å; T198-G201 PolarHBondContact OG1-N 3.46Å; T198-Y202 WeakPolarHBondContact O-CD2 3.19Å; T198-Y202 PolarHBondContact O-N 2.96Å
199A97.9Very high98.2Very high59 Ų5945.4 Ų45.449%0.48823%0.232SC..Hα-helixtrans-55.7-36.8168.300000112.3F56 Q203F56-A199 HydrophobicContact CD1-CB 3.7Å; F56-A199 HydrophobicContact CE1-CB 3.86Å; A199-Q203 PolarHBondContact O-N 3.28Å
200H97.3Very high98.2Very high111 Ų11141.1 Ų41.151%0.51421%0.212SC..Hα-helixtrans-68.8-46.9177.4-174.962.5000111.5D190 T198 Y202 Q203 A204D190-H200 IonicContact OD1-CD2 2.75Å; D190-H200 PolarHBondContact OD1-CD2 3.38Å; D190-H200 VanDerWaalsContact OD1-CD2 3.28Å; D190-H200 IonicContact OD1-NE2 2.78Å; T198-H200 PolarHBondContact O-N 3.3Å; T198-H200 PolarHBondContact OG1-N 2.95Å; T198-H200 VanDerWaalsContact OG1-N 3.14Å; H200-Y202 VanDerWaalsContact C-N 3.34Å; H200-Y202 PolarHBondContact O-N 2.94Å; H200-Q203 WeakPolarHBondContact O-CB 3.45Å; H200-Q203 PolarHBondContact O-N 3.02Å; H200-Q203 VanDerWaalsContact O-N 3.14Å; H200-A204 PolarHBondContact O-N 3.48Å
201G98.4Very high98.2Very high0 Ų042.8 Ų42.80%023%0.229CC..Hα-helixtrans-60.9-41.6176.100000112.5T198 Q203 A204 V205T198-G201 PolarHBondContact O-N 2.92Å; T198-G201 PolarHBondContact OG1-N 3.46Å; G201-Q203 VanDerWaalsContact C-N 3.34Å; G201-Q203 PolarHBondContact O-N 3.4Å; G201-A204 PolarHBondContact O-N 3.45Å; G201-V205 WeakPolarHBondContact O-CG2 3.47Å; G201-V205 PolarHBondContact O-N 3.35Å
202Y98.6Very high98.2Very high0 Ų045.7 Ų45.70%024%0.242CC..Hα-helixtrans-64.6-36.1174.6-89.1-63.4000112.9L49 L52 M53 F56 L197 T198 H200 A204 V205 C206L49-Y202 WeakPolarHBondContact CA-OH 3.32Å; L49-Y202 WeakPolarHBondContact O-CE1 3.22Å; L49-Y202 PolarHBondContact O-OH 3.34Å; L52-Y202 HydrophobicContact CB-CE2 4.28Å; L52-Y202 WeakPolarHBondContact CB-OH 3.44Å; M53-Y202 HydrophobicContact CB-CD1 4.16Å; M53-Y202 HydrophobicContact CB-CE1 3.6Å; M53-Y202 HydrophobicContact CE-CD1 4.46Å; M53-Y202 HydrophobicContact CE-CE1 4.18Å; M53-Y202 HydrophobicContact CG-CD1 3.97Å; M53-Y202 HydrophobicContact CG-CE1 3.91Å; M53-Y202 PolarHBondContact N-OH 2.91Å; F56-Y202 AromaticContact CD2-CD2 3.36Å; F56-Y202 HydrophobicContact CD2-CD2 3.36Å; F56-Y202 AromaticContact CD2-CE2 3.55Å; F56-Y202 HydrophobicContact CD2-CE2 3.55Å; F56-Y202 HydrophobicContact CD2-CG 4.27Å; F56-Y202 AromaticContact CE2-CD2 3.44Å; F56-Y202 HydrophobicContact CE2-CD2 3.44Å; F56-Y202 VanDerWaalsContact CE2-CD2 3.44Å; F56-Y202 AromaticContact CE2-CE2 3.37Å; F56-Y202 HydrophobicContact CE2-CE2 3.37Å; F56-Y202 HydrophobicContact CG-CD2 4.1Å; F56-Y202 HydrophobicContact CZ-CD2 4.2Å; F56-Y202 HydrophobicContact CZ-CE2 4.35Å; L197-Y202 HydrophobicContact CB-CD1 4.39Å; L197-Y202 HydrophobicContact CB-CD2 3.59Å; L197-Y202 HydrophobicContact CB-CE1 4.42Å; L197-Y202 HydrophobicContact CB-CE2 3.62Å; L197-Y202 HydrophobicContact CB-CG 3.99Å; L197-Y202 HydrophobicContact CD1-CD1 3.73Å; L197-Y202 HydrophobicContact CD1-CD2 4.45Å; L197-Y202 HydrophobicContact CD1-CE1 3.75Å; L197-Y202 HydrophobicContact CD1-CE2 4.46Å; L197-Y202 HydrophobicContact CD1-CG 4.09Å; L197-Y202 HydrophobicContact CG-CE2 4.48Å; T198-Y202 WeakPolarHBondContact O-CD2 3.19Å; T198-Y202 PolarHBondContact O-N 2.96Å; H200-Y202 VanDerWaalsContact C-N 3.34Å; H200-Y202 PolarHBondContact O-N 2.94Å; Y202-A204 PolarHBondContact O-N 3.42Å; Y202-V205 PolarHBondContact O-N 2.96Å; Y202-C206 WeakPolarHBondContact O-CB 3.28Å; Y202-C206 PolarHBondContact O-N 3.28Å; Y202-C206 PolarHBondContact O-SG 3.26Å
203Q96.9Very high98.2Very high92 Ų9240 Ų4043%0.4322%0.22SC..Hα-helixtrans-60.1-48177-174.8173.6-4.400111.2A199 H200 G201 V205 C206 E207A199-Q203 PolarHBondContact O-N 3.28Å; H200-Q203 WeakPolarHBondContact O-CB 3.45Å; H200-Q203 PolarHBondContact O-N 3.02Å; H200-Q203 VanDerWaalsContact O-N 3.14Å; G201-Q203 VanDerWaalsContact C-N 3.34Å; G201-Q203 PolarHBondContact O-N 3.4Å; Q203-V205 VanDerWaalsContact C-N 3.26Å; Q203-V205 PolarHBondContact O-N 2.92Å; Q203-C206 PolarHBondContact O-N 3.17Å; Q203-E207 HydrophobicContact CG-CG 4.46Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.4Å; Q203-E207 PolarHBondContact NE2-OE1 3.06Å; Q203-E207 WeakPolarHBondContact O-CG 3.2Å; Q203-E207 PolarHBondContact O-N 3.1Å
204A97.6Very high98.1Very high35 Ų3541 Ų4129%0.28922%0.221SC..Hα-helixtrans-62.4-32.5179.300000113.2P177 H200 G201 Y202 P208P177-A204 HydrophobicContact CB-CB 4.07Å; P177-A204 HydrophobicContact CG-CB 3.81Å; H200-A204 PolarHBondContact O-N 3.48Å; G201-A204 PolarHBondContact O-N 3.45Å; Y202-A204 PolarHBondContact O-N 3.42Å; A204-P208 WeakPolarHBondContact O-CD 3.22Å; A204-P208 WeakPolarHBondContact O-CG 3.46Å
205V98.4Very high98.1Very high0 Ų040.3 Ų40.30%023%0.227CC..Hα-helixtrans-77.4-45.3176.4161.60000111.8W101 V175 F179 L197 G201 Y202 Q203 P208 L209W101-V205 HydrophobicContact CH2-CG1 3.73Å; W101-V205 HydrophobicContact CZ3-CG1 4.22Å; V175-V205 HydrophobicContact CG2-CB 4.01Å; V175-V205 HydrophobicContact CG2-CG1 3.27Å; V175-V205 HydrophobicContact CG2-CG2 4.23Å; F179-V205 HydrophobicContact CE2-CG2 3.88Å; F179-V205 HydrophobicContact CZ-CG2 3.74Å; L197-V205 HydrophobicContact CD1-CB 4.32Å; L197-V205 HydrophobicContact CD1-CG1 4.46Å; L197-V205 HydrophobicContact CD1-CG2 3.83Å; G201-V205 WeakPolarHBondContact O-CG2 3.47Å; G201-V205 PolarHBondContact O-N 3.35Å; Y202-V205 PolarHBondContact O-N 2.96Å; Q203-V205 VanDerWaalsContact C-N 3.26Å; Q203-V205 PolarHBondContact O-N 2.92Å; V205-P208 WeakPolarHBondContact O-CD 3.47Å; V205-P208 WeakPolarHBondContact O-CG 3.44Å; V205-L209 VanDerWaalsContact O-CB 3.29Å; V205-L209 WeakPolarHBondContact O-CB 3.48Å; V205-L209 PolarHBondContact O-N 3.28Å
206C98.3Very high98Very high0 Ų039.7 Ų39.70%022%0.223CC..Hα-helixtrans-78.9-31.6-166.3-66.60000113.3I58 L62 F63 Y202 Q203 L209 H210I58-C206 HydrophobicContact CG1-CB 3.74Å; L62-C206 HydrophobicContact CD1-CB 4.03Å; F63-C206 HydrophobicContact CE2-CB 3.82Å; F63-C206 HydrophobicContact CZ-CB 3.84Å; Y202-C206 WeakPolarHBondContact O-CB 3.28Å; Y202-C206 PolarHBondContact O-N 3.28Å; Y202-C206 PolarHBondContact O-SG 3.26Å; Q203-C206 PolarHBondContact O-N 3.17Å; C206-L209 PolarHBondContact O-N 2.95Å; C206-H210 WeakPolarHBondContact O-CB 3.45Å; C206-H210 PolarHBondContact O-N 3.16Å
207E96.5Very high97.8Very high102 Ų10240 Ų4048%0.47723%0.226SC..Hα-helixtrans-58.9-55.2177.8-73.8177.7-172.600112.8Q203 H210 A211Q203-E207 HydrophobicContact CG-CG 4.46Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.4Å; Q203-E207 PolarHBondContact NE2-OE1 3.06Å; Q203-E207 WeakPolarHBondContact O-CG 3.2Å; Q203-E207 PolarHBondContact O-N 3.1Å; E207-H210 PolarHBondContact O-N 3.01Å; E207-A211 PolarHBondContact O-N 3.31Å
208P97.9Very high97.5Very high60 Ų6046.6 Ų46.639%0.3926%0.257SS..Hα-helixtrans-70.2-33178.330.3-37.4000112.1F173 A204 V205 A211 Q212F173-P208 HydrophobicContact CZ-CB 4.06Å; A204-P208 WeakPolarHBondContact O-CD 3.22Å; A204-P208 WeakPolarHBondContact O-CG 3.46Å; V205-P208 WeakPolarHBondContact O-CD 3.47Å; V205-P208 WeakPolarHBondContact O-CG 3.44Å; P208-A211 PolarHBondContact O-N 2.86Å; P208-Q212 PolarHBondContact O-N 3.4Å
209L98.6Very high96.5Very high0 Ų051.6 Ų51.60%028%0.276CS..Hα-helixtrans-61.5-45.2174.1175.757.2000112F44 M53 F63 L135 L137 F173 V205 C206 A211 Q212 I213F44-L209 HydrophobicContact CE1-CD2 4.1Å; M53-L209 HydrophobicContact CE-CD2 4.17Å; F63-L209 HydrophobicContact CE1-CG 4.44Å; F63-L209 HydrophobicContact CZ-CD2 4.18Å; F63-L209 HydrophobicContact CZ-CG 4.33Å; L135-L209 HydrophobicContact CD2-CD1 3.72Å; L137-L209 HydrophobicContact CD1-CD1 4.19Å; L137-L209 HydrophobicContact CD1-CD2 3.78Å; L137-L209 HydrophobicContact CD2-CD1 3.61Å; F173-L209 HydrophobicContact CD1-CD1 4.33Å; F173-L209 HydrophobicContact CE1-CB 4.19Å; F173-L209 HydrophobicContact CE1-CD1 4.41Å; V205-L209 VanDerWaalsContact O-CB 3.29Å; V205-L209 WeakPolarHBondContact O-CB 3.48Å; V205-L209 PolarHBondContact O-N 3.28Å; C206-L209 PolarHBondContact O-N 2.95Å; L209-A211 VanDerWaalsContact C-N 3.34Å; L209-A211 PolarHBondContact O-N 3.42Å; L209-Q212 WeakPolarHBondContact O-CB 3.29Å; L209-Q212 PolarHBondContact O-N 3.25Å; L209-I213 HydrophobicContact CD1-CD1 3.88Å; L209-I213 HydrophobicContact CD1-CG1 4.14Å; L209-I213 HydrophobicContact CG-CD1 3.9Å; L209-I213 WeakPolarHBondContact O-CG1 3.22Å; L209-I213 PolarHBondContact O-N 2.96Å
210H98.5Very high94.5Very high38 Ų3854.2 Ų54.218%0.17629%0.288CS..Hα-helixtrans-61.5-42.6177.3169.8-101.1000111.7L62 F63 C206 E207 Q212 I213 K214L62-H210 HydrophobicContact CB-CB 4.24Å; L62-H210 HydrophobicContact CD1-CB 4.05Å; L62-H210 PolarHBondContact O-CD2 3.35Å; L62-H210 PolarHBondContact O-NE2 2.94Å; F63-H210 HydrophobicContact CE1-CB 3.87Å; F63-H210 HydrophobicContact CZ-CB 4.32Å; C206-H210 WeakPolarHBondContact O-CB 3.45Å; C206-H210 PolarHBondContact O-N 3.16Å; E207-H210 PolarHBondContact O-N 3.01Å; H210-Q212 VanDerWaalsContact C-N 3.32Å; H210-Q212 PolarHBondContact O-N 3.41Å; H210-I213 PolarHBondContact O-N 2.69Å; H210-K214 VanDerWaalsContact CE1-CD 3.44Å; H210-K214 WeakPolarHBondContact CE1-CD 3.41Å; H210-K214 WeakPolarHBondContact O-CG 3.39Å; H210-K214 PolarHBondContact O-N 2.92Å
211A97.9Very high92.4Very high59 Ų5953 Ų5349%0.48830%0.298SS..Hα-helixtrans-60.1-42.6174.800000112E207 P208 L209 K214 S215E207-A211 PolarHBondContact O-N 3.31Å; P208-A211 PolarHBondContact O-N 2.86Å; L209-A211 VanDerWaalsContact C-N 3.34Å; L209-A211 PolarHBondContact O-N 3.42Å; A211-K214 PolarHBondContact O-N 3.32Å; A211-S215 PolarHBondContact O-N 2.84Å
212Q98.1Very high90.1Very high61 Ų6162.3 Ų62.329%0.28534%0.341SS..Hα-helixtrans-63.5-45.5177.2-174.96125.900112.2L135 F173 P208 L209 H210 K214 S215 L216L135-Q212 HydrophobicContact CD1-CG 4.03Å; L135-Q212 HydrophobicContact CD2-CB 4.47Å; L135-Q212 HydrophobicContact CD2-CG 3.87Å; F173-Q212 HydrophobicContact CD2-CB 4.22Å; F173-Q212 HydrophobicContact CD2-CG 3.87Å; F173-Q212 HydrophobicContact CE2-CB 3.89Å; F173-Q212 HydrophobicContact CE2-CG 4.03Å; F173-Q212 HydrophobicContact CZ-CB 4.29Å; P208-Q212 PolarHBondContact O-N 3.4Å; L209-Q212 WeakPolarHBondContact O-CB 3.29Å; L209-Q212 PolarHBondContact O-N 3.25Å; H210-Q212 VanDerWaalsContact C-N 3.32Å; H210-Q212 PolarHBondContact O-N 3.41Å; Q212-K214 PolarHBondContact O-N 2.93Å; Q212-S215 PolarHBondContact O-N 3.43Å; Q212-L216 WeakPolarHBondContact O-CG 3.4Å; Q212-L216 PolarHBondContact O-N 3.02Å; Q212-L216 VanDerWaalsContact O-N 3.11Å
213I98.3Very high87.1Confident0 Ų073.2 Ų73.20%040%0.4CS..Hα-helixtrans-62.3-44.6178.1-67.5166.3000110.6V42 F44 F63 L66 V99 L135 L209 H210 S215 L216 L217V42-I213 HydrophobicContact CG1-CG2 4.34Å; V42-I213 HydrophobicContact CG2-CG2 3.89Å; F44-I213 HydrophobicContact CE1-CD1 4.24Å; F44-I213 HydrophobicContact CE2-CD1 4.22Å; F44-I213 HydrophobicContact CZ-CD1 3.5Å; F63-I213 HydrophobicContact CD1-CD1 4.37Å; F63-I213 HydrophobicContact CE1-CD1 3.97Å; L66-I213 HydrophobicContact CD1-CG2 3.92Å; V99-I213 HydrophobicContact CG2-CD1 3.75Å; V99-I213 HydrophobicContact CG2-CG1 4.1Å; L135-I213 HydrophobicContact CD2-CG1 4.04Å; L209-I213 HydrophobicContact CD1-CD1 3.88Å; L209-I213 HydrophobicContact CD1-CG1 4.14Å; L209-I213 HydrophobicContact CG-CD1 3.9Å; L209-I213 WeakPolarHBondContact O-CG1 3.22Å; L209-I213 PolarHBondContact O-N 2.96Å; H210-I213 PolarHBondContact O-N 2.69Å; I213-S215 VanDerWaalsContact C-N 3.32Å; I213-S215 PolarHBondContact O-N 2.86Å; I213-L216 WeakPolarHBondContact O-CB 3.18Å; I213-L216 PolarHBondContact O-N 2.84Å; I213-L216 VanDerWaalsContact O-N 3.11Å; I213-L217 HydrophobicContact CG2-CD1 4.01Å; I213-L217 HydrophobicContact CG2-CG 4.3Å; I213-L217 WeakPolarHBondContact O-CG 3.49Å; I213-L217 PolarHBondContact O-N 2.85Å
214K98Very high86.6Confident88 Ų8872.3 Ų72.338%0.38340%0.398SS..Hα-helixtrans-57.7-44.8176-80.1-166.666.6-174.80112.5L66 H210 A211 Q212 L216 L217 E218L66-K214 HydrophobicContact CD1-CG 4.5Å; L66-K214 HydrophobicContact CD2-CG 4.32Å; H210-K214 VanDerWaalsContact CE1-CD 3.44Å; H210-K214 WeakPolarHBondContact CE1-CD 3.41Å; H210-K214 WeakPolarHBondContact O-CG 3.39Å; H210-K214 PolarHBondContact O-N 2.92Å; A211-K214 PolarHBondContact O-N 3.32Å; Q212-K214 PolarHBondContact O-N 2.93Å; K214-L216 VanDerWaalsContact C-N 3.25Å; K214-L216 PolarHBondContact O-N 3.2Å; K214-L217 PolarHBondContact O-N 3.44Å; K214-L217 VanDerWaalsContact O-N 3.16Å; K214-E218 WeakPolarHBondContact O-CG 3.49Å; K214-E218 PolarHBondContact O-N 2.74Å
215S97.3Very high86.1Confident55 Ų5574.3 Ų74.339%0.38540%0.404SS..Hα-helixtrans-59.5-37.9176.61800000112.2A211 Q212 I213 E218 K219A211-S215 PolarHBondContact O-N 2.84Å; Q212-S215 PolarHBondContact O-N 3.43Å; I213-S215 VanDerWaalsContact C-N 3.32Å; I213-S215 PolarHBondContact O-N 2.86Å; S215-E218 PolarHBondContact O-N 3.28Å; S215-K219 PolarHBondContact O-N 3.46Å
216L96.9Very high85.4Confident13 Ų1378.4 Ų78.47%0.06843%0.426CS..Hα-helixtrans-70-37.4175.9-67.8170.5000112.5V97 L135 Q212 I213 K214 E218 K219V97-L216 HydrophobicContact CG1-CD1 4.23Å; V97-L216 HydrophobicContact CG2-CB 3.75Å; V97-L216 HydrophobicContact CG2-CD1 4.48Å; L135-L216 HydrophobicContact CB-CD1 4.25Å; L135-L216 HydrophobicContact CD1-CD1 4.25Å; L135-L216 HydrophobicContact CD2-CD1 4.26Å; Q212-L216 WeakPolarHBondContact O-CG 3.4Å; Q212-L216 PolarHBondContact O-N 3.02Å; Q212-L216 VanDerWaalsContact O-N 3.11Å; I213-L216 WeakPolarHBondContact O-CB 3.18Å; I213-L216 PolarHBondContact O-N 2.84Å; I213-L216 VanDerWaalsContact O-N 3.11Å; K214-L216 VanDerWaalsContact C-N 3.25Å; K214-L216 PolarHBondContact O-N 3.2Å; L216-E218 VanDerWaalsContact C-N 3.28Å; L216-E218 PolarHBondContact O-N 2.64Å; L216-K219 HydrophobicContact CD2-CD 4.44Å; L216-K219 PolarHBondContact O-N 2.88Å
217L96Very high84.6Confident41 Ų4183 Ų8322%0.21545%0.451CS..Hα-helixtrans-68-27.1176.5-69.6173.6000113.2D41 V42 L66 K96 V97 I213 K214D41-L217 HydrophobicContact CB-CD2 4.31Å; V42-L217 HydrophobicContact CG2-CD1 3.99Å; V42-L217 HydrophobicContact CG2-CD2 3.99Å; V42-L217 HydrophobicContact CG2-CG 4.37Å; L66-L217 HydrophobicContact CB-CD1 4.47Å; L66-L217 HydrophobicContact CD1-CD1 4.33Å; L66-L217 HydrophobicContact CD2-CD1 4.14Å; K96-L217 HydrophobicContact CB-CD2 3.79Å; K96-L217 HydrophobicContact CD-CD2 3.93Å; K96-L217 HydrophobicContact CG-CD2 4.48Å; V97-L217 HydrophobicContact CG2-CD2 3.95Å; V97-L217 HydrophobicContact CG2-CG 4.26Å; I213-L217 HydrophobicContact CG2-CD1 4.01Å; I213-L217 HydrophobicContact CG2-CG 4.3Å; I213-L217 WeakPolarHBondContact O-CG 3.49Å; I213-L217 PolarHBondContact O-N 2.85Å; K214-L217 PolarHBondContact O-N 3.44Å; K214-L217 VanDerWaalsContact O-N 3.16Å
218E91.3Very high83.9Confident139 Ų13981.8 Ų81.865%0.6545%0.45SS*.Hα-helixtrans-83.3-16.8178.5-71.7169.5-170.300113K214 S215 L216K214-E218 WeakPolarHBondContact O-CG 3.49Å; K214-E218 PolarHBondContact O-N 2.74Å; S215-E218 PolarHBondContact O-N 3.28Å; L216-E218 VanDerWaalsContact C-N 3.28Å; L216-E218 PolarHBondContact O-N 2.64Å
219K77.4Confident83Confident131 Ų13183.3 Ų83.357%0.5745%0.454SS*.SBendtrans-67.4128.5175.2-76.8-179.9-178.3-177.90109.7S215 L216S215-K219 PolarHBondContact O-N 3.46Å; L216-K219 HydrophobicContact CD2-CD 4.44Å; L216-K219 PolarHBondContact O-N 2.88Å
220P56.9Low81.8Confident113 Ų11389.2 Ų89.273%0.73449%0.486SS*.PPolyproline II helixtrans-59.7142.3171.2-1527.3000109.5E222P220-E222 PolarHBondContact O-N 2.86Å; P220-E222 VanDerWaalsContact O-N 3.1Å
221A53.7Low80.6Confident87 Ų8793.2 Ų93.272%0.71951%0.51SS*.PPolyproline II helixtrans-57.8117.7166.100000107.8N223A221-N223 PolarHBondContact O-N 3.2Å; A221-N223 VanDerWaalsContact O-N 3.16Å
222E49.2Very low79.1Confident194 Ų19496 Ų9691%0.90751%0.512SS*.  trans-67.5112.7172-71-175170.700107.3P220P220-E222 PolarHBondContact O-N 2.86Å; P220-E222 VanDerWaalsContact O-N 3.1Å
223N36.4Very low77.4Confident230 Ų23099.2 Ų99.2100%1.2353%0.533SS*.  trans-72.80176.1-72.3-29.8000111.9A221A221-N223 PolarHBondContact O-N 3.2Å; A221-N223 VanDerWaalsContact O-N 3.16Å

Retrieved 223 of 223 residues in 150.6 ms (Link to these results)

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