A0A077Z393_TRITR Loading...

Mechanosensory protein 2

AlphaFold DB , UniProt , Accession A0A077Z393, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 230 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
1V87.7Confident93.4Very high101 Ų10151 Ų5161%0.61224%0.241SC*.  01300-166.40000108.7G25 I26 K38V1-G25 CarbonylContact C-O 3.58Å; V1-G25 WeakPolarHBondContact CA-O 3.28Å; V1-I26 HydrophobicContact CG1-CG1 4.43Å; V1-I26 HydrophobicContact CG2-CG1 4.04Å; V1-K38 PolarHBondContact O-NZ 3.35Å
2A89.7Confident93.4Very high2 Ų256.8 Ų56.82%0.01726%0.259CS..BIsolated β-bridgetrans-92.7132.6167.600000108.5E6 G25 F27A2-E6 HydrophobicContact CB-CB 4.21Å; A2-G25 PolarHBondContact N-O 3.08Å; A2-G25 PolarHBondContact O-N 3.41Å; A2-F27 HydrophobicContact CB-CD1 4.22Å; A2-F27 HydrophobicContact CB-CE1 3.84Å
3Q94.1Very high93.2Very high100 Ų10063.4 Ų63.447%0.46730%0.296SS..  trans-69.3168.2172.2-57.9-62.9-8.900110.9Y5 E6Q3-Y5 HydrophobicContact CB-CD1 4.07Å; Q3-Y5 HydrophobicContact CB-CD2 4.44Å; Q3-Y5 HydrophobicContact CB-CE1 3.68Å; Q3-Y5 HydrophobicContact CB-CE2 4.08Å; Q3-Y5 HydrophobicContact CB-CG 4.43Å; Q3-Y5 HydrophobicContact CG-CE1 4.23Å; Q3-Y5 HydrophobicContact CG-CE2 4.47Å; Q3-Y5 PolarHBondContact O-N 2.66Å; Q3-E6 HydrophobicContact CB-CB 4.44Å; Q3-E6 HydrophobicContact CB-CG 4.09Å; Q3-E6 PolarHBondContact N-OE2 3.46Å; Q3-E6 PolarHBondContact O-N 2.76Å
4E93Very high93Very high131 Ų13163.8 Ų63.861%0.61233%0.326SS*.THydrogen-bonded Turntrans-51.9-41.1179.2-171.855.1-136.500112.5R7 P24E4-R7 PolarHBondContact O-NH1 3.47Å; E4-P24 VanDerWaalsContact OE2-CG 3.28Å; E4-P24 WeakPolarHBondContact OE2-CG 3.35Å
5Y94.1Very high92.9Very high89 Ų8972.9 Ų72.935%0.34936%0.355SS..THydrogen-bonded Turntrans-87.11-179.457.3-97.5000114.6Q3 L41 R42Q3-Y5 HydrophobicContact CB-CD1 4.07Å; Q3-Y5 HydrophobicContact CB-CD2 4.44Å; Q3-Y5 HydrophobicContact CB-CE1 3.68Å; Q3-Y5 HydrophobicContact CB-CE2 4.08Å; Q3-Y5 HydrophobicContact CB-CG 4.43Å; Q3-Y5 HydrophobicContact CG-CE1 4.23Å; Q3-Y5 HydrophobicContact CG-CE2 4.47Å; Q3-Y5 PolarHBondContact O-N 2.66Å; Y5-L41 PolarHBondContact O-N 3.17Å; Y5-R42 HydrophobicContact CD2-CG 4.44Å; Y5-R42 HydrophobicContact CG-CG 4.23Å
6E96.1Very high92.8Very high35 Ų3573.1 Ų73.116%0.16436%0.357CS..EExtended strand (participates in β ladder)trans-107.8146.9179.3-66.8-177.9164.400111.5A2 Q3 K38 V39A2-E6 HydrophobicContact CB-CB 4.21Å; Q3-E6 HydrophobicContact CB-CB 4.44Å; Q3-E6 HydrophobicContact CB-CG 4.09Å; Q3-E6 PolarHBondContact N-OE2 3.46Å; Q3-E6 PolarHBondContact O-N 2.76Å; E6-K38 IonicContact OE2-NZ 3.96Å; E6-K38 PolarHBondContact OE2-NZ 2.89Å; E6-V39 WeakPolarHBondContact CA-O 3.22Å
7R95.5Very high92.6Very high54 Ų5470.8 Ų70.820%0.20435%0.346CS..EExtended strand (participates in β ladder)trans-129138.1167.5-64.7-65.9178.4-92.91.7110.3E4 A21 G23 K38 V39 L41 A74E4-R7 PolarHBondContact O-NH1 3.47Å; R7-A21 HydrophobicContact CB-CB 4.02Å; R7-G23 PolarHBondContact NE-O 3.11Å; R7-K38 WeakPolarHBondContact O-CA 3.32Å; R7-V39 PolarHBondContact N-O 3.31Å; R7-V39 PolarHBondContact O-N 2.81Å; R7-L41 HydrophobicContact CG-CD1 3.56Å; R7-L41 HydrophobicContact CG-CD2 4.29Å; R7-L41 HydrophobicContact CG-CG 4.06Å; R7-A74 HydrophobicContact CB-CB 3.83Å
8A95.3Very high92.1Very high0 Ų075.7 Ų75.70%037%0.372CS..EExtended strand (participates in β ladder)trans-100.1116.1176.900000110I10 A21 R22 F27 T37A8-I10 HydrophobicContact CB-CG1 4.49Å; A8-A21 CarbonylContact O-C 3.53Å; A8-A21 WeakPolarHBondContact O-CA 3.45Å; A8-R22 PolarHBondContact N-O 3.11Å; A8-R22 PolarHBondContact O-N 2.84Å; A8-F27 HydrophobicContact CB-CD1 4.33Å; A8-F27 HydrophobicContact CB-CD2 4.36Å; A8-F27 HydrophobicContact CB-CE1 3.78Å; A8-F27 HydrophobicContact CB-CE2 3.8Å; A8-F27 HydrophobicContact CB-CZ 3.48Å; A8-F27 VanDerWaalsContact CB-CZ 3.48Å; A8-T37 WeakPolarHBondContact CA-O 3.44Å
9V94.3Very high91.7Very high1 Ų175.1 Ų75.11%0.00639%0.388CS..EExtended strand (participates in β ladder)trans-88.3118.1169.7-176.30000107.4F11 L16 A21 Y36 T37 V39 A74 V78V9-F11 HydrophobicContact CB-CE2 4.5Å; V9-F11 HydrophobicContact CG1-CE2 3.8Å; V9-F11 HydrophobicContact CG1-CZ 3.81Å; V9-L16 HydrophobicContact CG1-CD2 3.62Å; V9-A21 HydrophobicContact CG2-CB 4.22Å; V9-Y36 CarbonylContact O-C 3.44Å; V9-Y36 WeakPolarHBondContact O-CA 3.47Å; V9-T37 PolarHBondContact N-O 3.01Å; V9-T37 PolarHBondContact O-N 2.82Å; V9-V39 HydrophobicContact CG2-CG2 4.21Å; V9-A74 HydrophobicContact CG2-CB 3.93Å; V9-A74 WeakPolarHBondContact CG2-O 3.12Å; V9-V78 HydrophobicContact CB-CG2 4.36Å; V9-V78 HydrophobicContact CG1-CB 4.37Å; V9-V78 HydrophobicContact CG2-CB 4.4Å; V9-V78 HydrophobicContact CG2-CG2 3.95Å
10I94.1Very high91.5Very high11 Ų1173 Ų736%0.05639%0.385CS..EExtended strand (participates in β ladder)trans-110.4130.7-174.7-49.1174.1000109.3A8 I17 R22 F27 V29 E34 S35A8-I10 HydrophobicContact CB-CG1 4.49Å; I10-I17 HydrophobicContact CB-CD1 3.73Å; I10-I17 HydrophobicContact CB-CG1 4.24Å; I10-I17 HydrophobicContact CG2-CD1 3.35Å; I10-I17 HydrophobicContact CG2-CG1 4.16Å; I10-I17 PolarHBondContact O-N 2.81Å; I10-R22 HydrophobicContact CD1-CB 4.22Å; I10-R22 HydrophobicContact CD1-CG 3.98Å; I10-F27 HydrophobicContact CD1-CD2 4Å; I10-V29 HydrophobicContact CD1-CG2 4.49Å; I10-E34 HydrophobicContact CG2-CB 4.14Å; I10-E34 HydrophobicContact CG2-CG 4.42Å; I10-S35 WeakPolarHBondContact CA-O 3.48Å
11F94Very high91.5Very high37 Ų3770.9 Ų70.916%0.16238%0.379CS..EExtended strand (participates in β ladder)trans-109.4126.2174.3-59.8-88.1000109.3V9 R15 L16 E34 S35 V78V9-F11 HydrophobicContact CB-CE2 4.5Å; V9-F11 HydrophobicContact CG1-CE2 3.8Å; V9-F11 HydrophobicContact CG1-CZ 3.81Å; F11-R15 CarbonylContact C-O 3.52Å; F11-R15 VanDerWaalsContact CA-O 3.32Å; F11-R15 WeakPolarHBondContact CA-O 3.23Å; F11-L16 HydrophobicContact CD1-CD2 3.87Å; F11-L16 HydrophobicContact CD1-CG 4.25Å; F11-L16 HydrophobicContact CE1-CD2 3.37Å; F11-L16 HydrophobicContact CE1-CG 3.89Å; F11-L16 HydrophobicContact CZ-CD2 3.82Å; F11-E34 CarbonylContact O-C 3.53Å; F11-E34 VanDerWaalsContact O-CA 3.23Å; F11-E34 WeakPolarHBondContact O-CA 3.35Å; F11-S35 PolarHBondContact N-O 3.25Å; F11-S35 PolarHBondContact O-N 3.14Å; F11-V78 HydrophobicContact CE2-CG1 3.87Å; F11-V78 HydrophobicContact CZ-CG1 3.71Å
12R93Very high91.7Very high121 Ų12172 Ų7246%0.45737%0.372SS..EExtended strand (participates in β ladder)trans-109.8112.9173.3-175.1-179.3-69.4175.3-2.3108.4G14 R15 I17 I33 E34R12-G14 PolarHBondContact O-N 3.13Å; R12-R15 PolarHBondContact N-O 2.93Å; R12-R15 PolarHBondContact O-N 2.93Å; R12-I17 HydrophobicContact CB-CD1 4.26Å; R12-I17 HydrophobicContact CB-CG1 3.94Å; R12-I33 HydrophobicContact CG-CG2 3.93Å; R12-E34 HydrophobicContact CB-CG 4.09Å; R12-E34 HydrophobicContact CG-CG 4.08Å; R12-E34 IonicContact CZ-OE1 3.12Å; R12-E34 IonicContact NE-OE1 3.02Å; R12-E34 PolarHBondContact NE-OE1 2.81Å; R12-E34 IonicContact NH2-OE1 2.66Å; R12-E34 PolarHBondContact NH2-OE1 3.34Å
13L91Very high91.6Very high142 Ų14273.3 Ų73.374%0.74339%0.386SS*.THydrogen-bonded Turntrans50.143.3-175.6-57.4174.3000112.7R15 I33L13-R15 VanDerWaalsContact C-N 3.27Å; L13-R15 PolarHBondContact O-N 2.8Å; L13-I33 HydrophobicContact CD1-CG2 4.45Å; L13-I33 HydrophobicContact CD2-CG2 3.94Å; L13-I33 HydrophobicContact CG-CG2 3.87Å; L13-I33 PolarHBondContact N-O 3.23Å; L13-I33 VanDerWaalsContact N-O 3.14Å
14G89.5Confident91.5Very high69 Ų6971.4 Ų71.471%0.71138%0.382SS*.THydrogen-bonded Turntrans78-1.9-179.700000115.8R12R12-G14 PolarHBondContact O-N 3.13Å
15R91.9Very high91.5Very high201 Ų20166.5 Ų66.576%0.75837%0.366SS*.EExtended strand (participates in β ladder)trans-102.4141.1176-63.7-177.3-179.4-117.90.4111.2F11 R12 L13 I17F11-R15 CarbonylContact C-O 3.52Å; F11-R15 VanDerWaalsContact CA-O 3.32Å; F11-R15 WeakPolarHBondContact CA-O 3.23Å; R12-R15 PolarHBondContact N-O 2.93Å; R12-R15 PolarHBondContact O-N 2.93Å; L13-R15 VanDerWaalsContact C-N 3.27Å; L13-R15 PolarHBondContact O-N 2.8Å; R15-I17 PolarHBondContact O-N 2.82Å
16L90.9Very high91.3Very high76 Ų7669.6 Ų69.640%0.39839%0.388SS..EExtended strand (participates in β ladder)trans-61.8133.3170.2-72.7167.4000110.2V9 F11 T75 A79V9-L16 HydrophobicContact CG1-CD2 3.62Å; F11-L16 HydrophobicContact CD1-CD2 3.87Å; F11-L16 HydrophobicContact CD1-CG 4.25Å; F11-L16 HydrophobicContact CE1-CD2 3.37Å; F11-L16 HydrophobicContact CE1-CG 3.89Å; F11-L16 HydrophobicContact CZ-CD2 3.82Å; L16-T75 HydrophobicContact CD1-CG2 3.82Å; L16-T75 HydrophobicContact CD2-CG2 4.09Å; L16-A79 HydrophobicContact CD1-CB 4.2Å
17I89.2Confident91Very high33 Ų3369.8 Ų69.817%0.16939%0.388CS..PPolyproline II helixtrans-66.5142175.7-64.6-173.2000110.4I10 R12 R15 G19 G20I10-I17 HydrophobicContact CB-CD1 3.73Å; I10-I17 HydrophobicContact CB-CG1 4.24Å; I10-I17 HydrophobicContact CG2-CD1 3.35Å; I10-I17 HydrophobicContact CG2-CG1 4.16Å; I10-I17 PolarHBondContact O-N 2.81Å; R12-I17 HydrophobicContact CB-CD1 4.26Å; R12-I17 HydrophobicContact CB-CG1 3.94Å; R15-I17 PolarHBondContact O-N 2.82Å; I17-G19 PolarHBondContact O-N 2.8Å; I17-G20 PolarHBondContact O-N 2.87Å
18I84Confident90.7Very high159 Ų15975 Ų7582%0.81541%0.412SS*.THydrogen-bonded Turntrans-60.4127.4174.5-57.7170.8000109.5R22I18-R22 PolarHBondContact O-NH2 3.46Å
19G84.3Confident90.5Very high65 Ų6576.7 Ų76.767%0.6742%0.423SS*.THydrogen-bonded Turntrans106.9-0.8-177.200000115I17I17-G19 PolarHBondContact O-N 2.8Å
20G87.6Confident90.3Very high32 Ų3279.7 Ų79.733%0.3344%0.438SS..SBendtrans73.5-155.6173.500000113.5I17I17-G20 PolarHBondContact O-N 2.87Å
21A91.4Very high90Very high30 Ų3084 Ų8425%0.24847%0.467CS..SBendtrans-65.2134.9-178.300000111.9R7 A8 V9 A74 T75R7-A21 HydrophobicContact CB-CB 4.02Å; A8-A21 CarbonylContact O-C 3.53Å; A8-A21 WeakPolarHBondContact O-CA 3.45Å; V9-A21 HydrophobicContact CG2-CB 4.22Å; A21-A74 HydrophobicContact CB-CB 4.02Å; A21-T75 PolarHBondContact N-OG1 2.87Å; A21-T75 VanDerWaalsContact N-OG1 3.11Å
22R92Very high89.8Confident123 Ų12389 Ų8946%0.46450%0.504SS..BIsolated β-bridgetrans-97.3146.6-179.5-65.8-67.4-178.2152.2-3.7111.2A8 I10 I18A8-R22 PolarHBondContact N-O 3.11Å; A8-R22 PolarHBondContact O-N 2.84Å; I10-R22 HydrophobicContact CD1-CB 4.22Å; I10-R22 HydrophobicContact CD1-CG 3.98Å; I18-R22 PolarHBondContact O-NH2 3.46Å
23G88Confident89.8Confident31 Ų3187 Ų8732%0.3250%0.502SS..  trans124.5164.8-17900000112.1R7R7-G23 PolarHBondContact NE-O 3.11Å
24P92.1Very high89.9Confident60 Ų6081.3 Ų81.339%0.3947%0.472SS..SBendcis-76.9170.12.534.3-34.9000112.8E4E4-P24 VanDerWaalsContact OE2-CG 3.28Å; E4-P24 WeakPolarHBondContact OE2-CG 3.35Å
25G93Very high90Very high27 Ų2781.4 Ų81.428%0.27846%0.461SS..BIsolated β-bridgetrans102.2-161.3176.700000115.4V1 A2V1-G25 CarbonylContact C-O 3.58Å; V1-G25 WeakPolarHBondContact CA-O 3.28Å; A2-G25 PolarHBondContact N-O 3.08Å; A2-G25 PolarHBondContact O-N 3.41Å
26I91.3Very high90.1Very high155 Ų15577.5 Ų77.580%0.79545%0.448SS*.  trans-81.6128.7-175.8-51.5-178.9000109.1V1V1-I26 HydrophobicContact CG1-CG1 4.43Å; V1-I26 HydrophobicContact CG2-CG1 4.04Å
27F89Confident90.2Very high39 Ų3976.8 Ų76.817%0.17145%0.446CS..  trans-130.1148170.862-86.3000108.6A2 A8 I10 V29 Y36A2-F27 HydrophobicContact CB-CD1 4.22Å; A2-F27 HydrophobicContact CB-CE1 3.84Å; A8-F27 HydrophobicContact CB-CD1 4.33Å; A8-F27 HydrophobicContact CB-CD2 4.36Å; A8-F27 HydrophobicContact CB-CE1 3.78Å; A8-F27 HydrophobicContact CB-CE2 3.8Å; A8-F27 HydrophobicContact CB-CZ 3.48Å; A8-F27 VanDerWaalsContact CB-CZ 3.48Å; I10-F27 HydrophobicContact CD1-CD2 4Å; F27-V29 HydrophobicContact CD2-CG2 3.58Å; F27-V29 HydrophobicContact CE2-CG2 3.48Å; F27-V29 VanDerWaalsContact CE2-CG2 3.48Å; F27-Y36 HydrophobicContact CE2-CD2 4.27Å; F27-Y36 HydrophobicContact CE2-CG 4.32Å; F27-Y36 HydrophobicContact CZ-CD2 4.24Å; F27-Y36 HydrophobicContact CZ-CE2 4.39Å
28F89.2Confident90.4Very high164 Ų16479.5 Ų79.572%0.71946%0.457SS*.  trans-100136.4178.6-171.8-109.4000109.4L30F28-L30 HydrophobicContact CD1-CD2 4.37Å; F28-L30 HydrophobicContact CE1-CD2 3.61Å; F28-L30 HydrophobicContact CE1-CG 4.23Å; F28-L30 HydrophobicContact CZ-CD2 4.48Å
29V90.5Very high90.9Very high35 Ų3572.5 Ų72.521%0.21242%0.422CS..  trans-123.7125.1176.2-176.90000107.8I10 F27 E34 Y36I10-V29 HydrophobicContact CD1-CG2 4.49Å; F27-V29 HydrophobicContact CD2-CG2 3.58Å; F27-V29 HydrophobicContact CE2-CG2 3.48Å; F27-V29 VanDerWaalsContact CE2-CG2 3.48Å; V29-E34 WeakPolarHBondContact CA-OE2 3.48Å; V29-E34 HydrophobicContact CG1-CB 3.57Å; V29-Y36 HydrophobicContact CB-CD1 4.37Å; V29-Y36 HydrophobicContact CG1-CD1 4.04Å; V29-Y36 HydrophobicContact CG2-CD1 3.84Å; V29-Y36 HydrophobicContact CG2-CE1 4.42Å; V29-Y36 HydrophobicContact CG2-CG 4.28Å
30L90.5Very high91.5Very high64 Ų6472 Ų7234%0.33540%0.403SS..  trans-72121.2177-69.3167000110F28 E34F28-L30 HydrophobicContact CD1-CD2 4.37Å; F28-L30 HydrophobicContact CE1-CD2 3.61Å; F28-L30 HydrophobicContact CE1-CG 4.23Å; F28-L30 HydrophobicContact CZ-CD2 4.48Å; L30-E34 HydrophobicContact CB-CB 4.44Å; L30-E34 HydrophobicContact CB-CG 4.06Å; L30-E34 PolarHBondContact N-OE2 2.87Å; L30-E34 WeakPolarHBondContact O-CB 3.33Å; L30-E34 PolarHBondContact O-N 2.85Å; L30-E34 VanDerWaalsContact O-N 3.13Å
31P88.4Confident91.9Very high102 Ų10272.3 Ų72.366%0.66240%0.397SS*.THydrogen-bonded Turntrans-59.9148.3175.626.4-33.2000110.5I33P31-I33 PolarHBondContact O-N 3.43Å
32C88.3Confident92.2Very high140 Ų14076.9 Ų76.995%0.94641%0.409SS*.THydrogen-bonded Turntrans69-34.1-179.6-52.70000117.1
33I92.9Very high92.5Very high81 Ų8174.2 Ų74.242%0.41541%0.406SS..THydrogen-bonded Turntrans-94.6-34.1-176.1-56.2176.1000111.5R12 L13 P31R12-I33 HydrophobicContact CG-CG2 3.93Å; L13-I33 HydrophobicContact CD1-CG2 4.45Å; L13-I33 HydrophobicContact CD2-CG2 3.94Å; L13-I33 HydrophobicContact CG-CG2 3.87Å; L13-I33 PolarHBondContact N-O 3.23Å; L13-I33 VanDerWaalsContact N-O 3.14Å; P31-I33 PolarHBondContact O-N 3.43Å
34E93.8Very high92.9Very high21 Ų2175.3 Ų75.310%0.09841%0.406CS..EExtended strand (participates in β ladder)trans-112.6136.1-175.9-64.7177.8164.600111.8I10 F11 R12 V29 L30I10-E34 HydrophobicContact CG2-CB 4.14Å; I10-E34 HydrophobicContact CG2-CG 4.42Å; F11-E34 CarbonylContact O-C 3.53Å; F11-E34 VanDerWaalsContact O-CA 3.23Å; F11-E34 WeakPolarHBondContact O-CA 3.35Å; R12-E34 HydrophobicContact CB-CG 4.09Å; R12-E34 HydrophobicContact CG-CG 4.08Å; R12-E34 IonicContact CZ-OE1 3.12Å; R12-E34 IonicContact NE-OE1 3.02Å; R12-E34 PolarHBondContact NE-OE1 2.81Å; R12-E34 IonicContact NH2-OE1 2.66Å; R12-E34 PolarHBondContact NH2-OE1 3.34Å; V29-E34 WeakPolarHBondContact CA-OE2 3.48Å; V29-E34 HydrophobicContact CG1-CB 3.57Å; L30-E34 HydrophobicContact CB-CB 4.44Å; L30-E34 HydrophobicContact CB-CG 4.06Å; L30-E34 PolarHBondContact N-OE2 2.87Å; L30-E34 WeakPolarHBondContact O-CB 3.33Å; L30-E34 PolarHBondContact O-N 2.85Å; L30-E34 VanDerWaalsContact O-N 3.13Å
35S92.4Very high93.1Very high71 Ų7176 Ų7650%0.49741%0.412SS..EExtended strand (participates in β ladder)trans-114.4151165.562.80000109.2I10 F11I10-S35 WeakPolarHBondContact CA-O 3.48Å; F11-S35 PolarHBondContact N-O 3.25Å; F11-S35 PolarHBondContact O-N 3.14Å
36Y92.6Very high93.3Very high119 Ų11975.5 Ų75.547%0.46740%0.402SS..EExtended strand (participates in β ladder)trans-135.9148.2176.974-84.3000111.7V9 F27 V29 K38V9-Y36 CarbonylContact O-C 3.44Å; V9-Y36 WeakPolarHBondContact O-CA 3.47Å; F27-Y36 HydrophobicContact CE2-CD2 4.27Å; F27-Y36 HydrophobicContact CE2-CG 4.32Å; F27-Y36 HydrophobicContact CZ-CD2 4.24Å; F27-Y36 HydrophobicContact CZ-CE2 4.39Å; V29-Y36 HydrophobicContact CB-CD1 4.37Å; V29-Y36 HydrophobicContact CG1-CD1 4.04Å; V29-Y36 HydrophobicContact CG2-CD1 3.84Å; V29-Y36 HydrophobicContact CG2-CE1 4.42Å; V29-Y36 HydrophobicContact CG2-CG 4.28Å; Y36-K38 HydrophobicContact CD2-CG 4.15Å; Y36-K38 HydrophobicContact CE2-CD 4.46Å; Y36-K38 HydrophobicContact CE2-CG 3.96Å
37T92.9Very high93.6Very high61 Ų6172.5 Ų72.537%0.37439%0.388SS..EExtended strand (participates in β ladder)trans-120.8125.6172.7-54.60000108.4A8 V9 V78A8-T37 WeakPolarHBondContact CA-O 3.44Å; V9-T37 PolarHBondContact N-O 3.01Å; V9-T37 PolarHBondContact O-N 2.82Å; T37-V78 HydrophobicContact CG2-CG2 4.28Å
38K94.1Very high94Very high91 Ų9170.7 Ų70.740%0.39638%0.38SS..EExtended strand (participates in β ladder)trans-85.1134172.3-73.3-174.7168-152.70109.9V1 E6 R7 Y36V1-K38 PolarHBondContact O-NZ 3.35Å; E6-K38 IonicContact OE2-NZ 3.96Å; E6-K38 PolarHBondContact OE2-NZ 2.89Å; R7-K38 WeakPolarHBondContact O-CA 3.32Å; Y36-K38 HydrophobicContact CD2-CG 4.15Å; Y36-K38 HydrophobicContact CE2-CD 4.46Å; Y36-K38 HydrophobicContact CE2-CG 3.96Å
39V95.5Very high94.3Very high12 Ų1265.4 Ų65.47%0.07336%0.363CS..EExtended strand (participates in β ladder)trans-122130.5178.3-1770000108.5E6 R7 V9 I71 A74 V78E6-V39 WeakPolarHBondContact CA-O 3.22Å; R7-V39 PolarHBondContact N-O 3.31Å; R7-V39 PolarHBondContact O-N 2.81Å; V9-V39 HydrophobicContact CG2-CG2 4.21Å; V39-I71 HydrophobicContact CG1-CB 4.17Å; V39-I71 HydrophobicContact CG1-CD1 3.48Å; V39-I71 VanDerWaalsContact CG1-CD1 3.48Å; V39-I71 HydrophobicContact CG1-CG1 4.41Å; V39-I71 HydrophobicContact CG1-CG2 3.88Å; V39-A74 HydrophobicContact CB-CB 3.79Å; V39-A74 HydrophobicContact CG1-CB 3.99Å; V39-A74 HydrophobicContact CG2-CB 4.01Å; V39-V78 HydrophobicContact CG2-CG2 3.58Å
40D96Very high94.6Very high53 Ų5366.7 Ų66.728%0.28337%0.372SS..EExtended strand (participates in β ladder)trans-87.2131174.1-164.7-24.1000109.6R42D40-R42 WeakPolarHBondContact OD1-CB 3.47Å; D40-R42 VanDerWaalsContact OD1-CG 3.28Å; D40-R42 WeakPolarHBondContact OD1-CG 3.18Å; D40-R42 PolarHBondContact OD1-N 3.34Å; D40-R42 IonicContact OD1-NE 2.67Å; D40-R42 PolarHBondContact OD1-NE 2.95Å; D40-R42 IonicContact OD2-CZ 2.82Å; D40-R42 VanDerWaalsContact OD2-CZ 3.26Å; D40-R42 IonicContact OD2-NE 2.86Å; D40-R42 PolarHBondContact OD2-NE 2.9Å; D40-R42 IonicContact OD2-NH2 3.07Å; D40-R42 PolarHBondContact OD2-NH2 3.26Å
41L96.3Very high94.9Very high39 Ų3964.4 Ų64.420%0.20436%0.359CS..  trans-95.1-0.7-179.3-58.6-178000113.4Y5 R7 I71 A74Y5-L41 PolarHBondContact O-N 3.17Å; R7-L41 HydrophobicContact CG-CD1 3.56Å; R7-L41 HydrophobicContact CG-CD2 4.29Å; R7-L41 HydrophobicContact CG-CG 4.06Å; L41-I71 HydrophobicContact CD2-CG2 4.31Å; L41-I71 VanDerWaalsContact CD2-O 3.27Å; L41-I71 WeakPolarHBondContact CD2-O 3.31Å; L41-A74 HydrophobicContact CD2-CB 4.45Å
42R97.6Very high95.3Very high127 Ų12765.3 Ų65.348%0.47935%0.354SS..SBendtrans-72.2156.3180-66.5177.1-66.61742.1111.9Y5 D40 V44 R70Y5-R42 HydrophobicContact CD2-CG 4.44Å; Y5-R42 HydrophobicContact CG-CG 4.23Å; D40-R42 WeakPolarHBondContact OD1-CB 3.47Å; D40-R42 VanDerWaalsContact OD1-CG 3.28Å; D40-R42 WeakPolarHBondContact OD1-CG 3.18Å; D40-R42 PolarHBondContact OD1-N 3.34Å; D40-R42 IonicContact OD1-NE 2.67Å; D40-R42 PolarHBondContact OD1-NE 2.95Å; D40-R42 IonicContact OD2-CZ 2.82Å; D40-R42 VanDerWaalsContact OD2-CZ 3.26Å; D40-R42 IonicContact OD2-NE 2.86Å; D40-R42 PolarHBondContact OD2-NE 2.9Å; D40-R42 IonicContact OD2-NH2 3.07Å; D40-R42 PolarHBondContact OD2-NH2 3.26Å; R42-V44 PolarHBondContact O-N 3.03Å; R42-R70 WeakPolarHBondContact O-CB 3.47Å
43T97.7Very high95.7Very high66 Ų6658.8 Ų58.841%0.40531%0.31SS..  trans-62.5124.1169.2-51.30000110.3Y68 Y69 E135T43-Y68 HydrophobicContact CG2-CD1 4.43Å; T43-Y69 WeakPolarHBondContact CA-O 3.24Å; T43-E135 WeakPolarHBondContact CB-OE2 3.42Å; T43-E135 WeakPolarHBondContact CG2-OE2 3.42Å; T43-E135 PolarHBondContact OG1-OE1 2.97Å; T43-E135 PolarHBondContact OG1-OE2 2.95Å
44V96.9Very high95.9Very high55 Ų5559.9 Ų59.933%0.33332%0.316SS..EExtended strand (participates in β ladder)trans-113151.9170.6-650000108.9R42 Y69R42-V44 PolarHBondContact O-N 3.03Å; V44-Y69 HydrophobicContact CG2-CD1 4.05Å; V44-Y69 HydrophobicContact CG2-CD2 4.25Å; V44-Y69 HydrophobicContact CG2-CE1 3.58Å; V44-Y69 HydrophobicContact CG2-CE2 3.85Å; V44-Y69 HydrophobicContact CG2-CG 4.37Å; V44-Y69 WeakPolarHBondContact CG2-O 3.37Å; V44-Y69 PolarHBondContact N-O 3.07Å; V44-Y69 PolarHBondContact O-N 2.95Å; V44-Y69 VanDerWaalsContact O-O 3.14Å
45S97.1Very high96Very high73 Ų7359.1 Ų59.151%0.5131%0.313SS..EExtended strand (participates in β ladder)trans-122.5153174.960.20000111I67S45-I67 WeakPolarHBondContact CA-O 3.43Å
46F97.3Very high96.2Very high17 Ų1764.1 Ų64.18%0.07532%0.321CS..EExtended strand (participates in β ladder)trans-147.4148.1167.869.5-80.3000111.8V48 I67 Y69 T88 R89 T92F46-V48 HydrophobicContact CD2-CG2 4.49Å; F46-V48 HydrophobicContact CE2-CG2 3.94Å; F46-I67 HydrophobicContact CD1-CB 4.18Å; F46-I67 HydrophobicContact CE1-CB 3.65Å; F46-I67 HydrophobicContact CE1-CG1 4.07Å; F46-I67 HydrophobicContact CE1-CG2 4.14Å; F46-I67 HydrophobicContact CE2-CG1 4.24Å; F46-I67 HydrophobicContact CZ-CB 3.91Å; F46-I67 HydrophobicContact CZ-CG1 3.77Å; F46-I67 PolarHBondContact N-O 2.61Å; F46-I67 VanDerWaalsContact N-O 3.16Å; F46-I67 PolarHBondContact O-N 3.49Å; F46-I67 VanDerWaalsContact O-N 3.14Å; F46-Y69 HydrophobicContact CD1-CD1 4.08Å; F46-Y69 AromaticContact CD1-CE1 3.5Å; F46-Y69 HydrophobicContact CD1-CE1 3.5Å; F46-Y69 VanDerWaalsContact CD1-CE1 3.5Å; F46-Y69 AromaticContact CE1-CD1 3.85Å; F46-Y69 HydrophobicContact CE1-CD1 3.85Å; F46-Y69 AromaticContact CE1-CE1 3.47Å; F46-Y69 HydrophobicContact CE1-CE1 3.47Å; F46-Y69 VanDerWaalsContact CE1-CE1 3.47Å; F46-T88 HydrophobicContact CE1-CG2 4.39Å; F46-T88 HydrophobicContact CZ-CG2 4.49Å; F46-R89 VanDerWaalsContact CB-NH1 3.29Å; F46-R89 HydrophobicContact CD1-CG 4.47Å; F46-R89 HydrophobicContact CD2-CG 3.74Å; F46-R89 HydrophobicContact CE1-CG 4.27Å; F46-R89 HydrophobicContact CE2-CB 4.03Å; F46-R89 HydrophobicContact CE2-CG 3.55Å; F46-R89 HydrophobicContact CG-CG 4.19Å; F46-R89 HydrophobicContact CZ-CB 4.32Å; F46-R89 HydrophobicContact CZ-CG 3.81Å; F46-T92 HydrophobicContact CZ-CG2 4.46Å
47D97.3Very high96.3Very high92 Ų9262.2 Ų62.249%0.49232%0.319SS..EExtended strand (participates in β ladder)trans-76.1128169-59.8-82.4000110.6K140D47-K140 IonicContact OD1-NZ 3.53Å
48V96.4Very high96.3Very high2 Ų263.7 Ų63.71%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-78.7119.8164.4-171.80000106.7F46 D64 A65 I67 T92 Q93 L96F46-V48 HydrophobicContact CD2-CG2 4.49Å; F46-V48 HydrophobicContact CE2-CG2 3.94Å; V48-D64 WeakPolarHBondContact O-CB 3.41Å; V48-A65 HydrophobicContact CB-CB 4.25Å; V48-A65 WeakPolarHBondContact CB-O 3.38Å; V48-A65 HydrophobicContact CG2-CB 4.16Å; V48-A65 WeakPolarHBondContact CG2-O 3.33Å; V48-A65 PolarHBondContact N-O 3.02Å; V48-I67 HydrophobicContact CG2-CD1 4.2Å; V48-I67 HydrophobicContact CG2-CG1 3.78Å; V48-T92 HydrophobicContact CG1-CG2 4.33Å; V48-T92 HydrophobicContact CG2-CG2 3.39Å; V48-Q93 HydrophobicContact CG1-CG 3.92Å; V48-L96 HydrophobicContact CG1-CD2 3.96Å
49P96.1Very high96.4Very high53 Ų5360.5 Ų60.534%0.34432%0.32SS..EExtended strand (participates in β ladder)trans-62153.4179.126.9-33.8000110.3Q51P49-Q51 PolarHBondContact O-N 3.27Å; P49-Q51 PolarHBondContact O-NE2 3.02Å
50P97Very high96.3Very high62 Ų6263.2 Ų63.240%0.40334%0.336SS..EExtended strand (participates in β ladder)trans-51.1128.9179.6-26.232.8000112.4V63 D64P50-V63 WeakPolarHBondContact CA-O 3.07Å; P50-D64 HydrophobicContact CB-CB 4.49Å; P50-D64 HydrophobicContact CG-CB 4.14Å
51Q96.1Very high96.3Very high16 Ų1660.7 Ų60.78%0.07532%0.323CS..EExtended strand (participates in β ladder)trans-107.1121.9177.8-61.6-55-59.200109.6P49 I53 S62 V63 L96P49-Q51 PolarHBondContact O-N 3.27Å; P49-Q51 PolarHBondContact O-NE2 3.02Å; Q51-I53 HydrophobicContact CB-CD1 3.75Å; Q51-I53 HydrophobicContact CB-CG1 3.94Å; Q51-I53 PolarHBondContact O-N 3.17Å; Q51-S62 WeakPolarHBondContact O-CA 3.45Å; Q51-V63 PolarHBondContact N-O 3.4Å; Q51-V63 PolarHBondContact O-N 2.84Å; Q51-L96 HydrophobicContact CB-CD2 4.43Å; Q51-L96 HydrophobicContact CG-CD2 3.91Å
52E96.5Very high96.3Very high120 Ų12059.2 Ų59.256%0.56132%0.316SS*.EExtended strand (participates in β ladder)trans-76.7117.9169.1-62.8-57.9142.600109.4I61 S62E52-I61 WeakPolarHBondContact CA-O 3.49Å; E52-S62 WeakPolarHBondContact OE1-CB 3.28Å; E52-S62 PolarHBondContact OE1-OG 3.15Å
53I96.5Very high96.3Very high4 Ų453.1 Ų53.12%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-133.2131-170.4-58.8161.8000108.8Q51 T60 I61 V63 L96 R97 L100Q51-I53 HydrophobicContact CB-CD1 3.75Å; Q51-I53 HydrophobicContact CB-CG1 3.94Å; Q51-I53 PolarHBondContact O-N 3.17Å; I53-T60 WeakPolarHBondContact O-CA 3.39Å; I53-I61 HydrophobicContact CB-CG1 4.49Å; I53-I61 PolarHBondContact N-O 2.81Å; I53-I61 PolarHBondContact O-N 2.92Å; I53-V63 HydrophobicContact CD1-CB 4.5Å; I53-L96 HydrophobicContact CD1-CG 4.47Å; I53-R97 HydrophobicContact CG1-CB 4.32Å; I53-R97 HydrophobicContact CG1-CG 4.16Å; I53-L100 HydrophobicContact CD1-CB 4.01Å; I53-L100 HydrophobicContact CD1-CD1 3.66Å; I53-L100 HydrophobicContact CD1-CG 4.41Å; I53-L100 HydrophobicContact CG2-CB 4.17Å
54L96.9Very high96.2Very high104 Ų10451.3 Ų51.355%0.54528%0.28SS..EExtended strand (participates in β ladder)trans-85112.6166.9-170.268.4000108.4S58 G101L54-S58 VanDerWaalsContact CD1-C 3.43Å; L54-G101 WeakPolarHBondContact O-CA 3.36Å
55T96.2Very high96.2Very high4 Ų448.7 Ų48.73%0.02527%0.265CS..  trans-68.6169.3175.6580000111.7D57 S58 V59 I61 K103 I108T55-D57 PolarHBondContact O-N 2.99Å; T55-D57 VanDerWaalsContact O-N 3.08Å; T55-S58 PolarHBondContact O-N 3.41Å; T55-V59 PolarHBondContact N-O 3.45Å; T55-V59 WeakPolarHBondContact OG1-CB 3.06Å; T55-V59 PolarHBondContact OG1-N 2.91Å; T55-V59 PolarHBondContact OG1-O 3.42Å; T55-I61 HydrophobicContact CG2-CD1 3.43Å; T55-I61 VanDerWaalsContact CG2-CD1 3.43Å; T55-I61 HydrophobicContact CG2-CG1 3.77Å; T55-I61 HydrophobicContact CG2-CG2 4.45Å; T55-K103 WeakPolarHBondContact CB-O 3.47Å; T55-I108 HydrophobicContact CG2-CD1 3.64Å
56R96.6Very high96.3Very high177 Ų17746 Ų4667%0.66825%0.245SC*.THydrogen-bonded Turntrans-54.9-29.7177.9-178.8177.5170.3177.6-2.9113.2S58 G101 K103R56-S58 VanDerWaalsContact C-N 3.26Å; R56-S58 PolarHBondContact O-N 3.37Å; R56-G101 PolarHBondContact N-O 3.36Å; R56-K103 WeakPolarHBondContact CB-O 3.2Å; R56-K103 PolarHBondContact N-O 3.43Å
57D95Very high96.3Very high79 Ų7945.2 Ų45.242%0.42224%0.242SC..THydrogen-bonded Turntrans-92.316.5-176.9-42.1-33000112.3T55 V59 S104 L105T55-D57 PolarHBondContact O-N 2.99Å; T55-D57 VanDerWaalsContact O-N 3.08Å; D57-V59 VanDerWaalsContact C-N 3.25Å; D57-V59 PolarHBondContact O-N 2.86Å; D57-S104 WeakPolarHBondContact OD1-CB 3.25Å; D57-S104 WeakPolarHBondContact OD2-CA 3.43Å; D57-S104 WeakPolarHBondContact OD2-CB 3.46Å; D57-L105 PolarHBondContact OD2-N 3.21Å
58S94.3Very high96.4Very high91 Ų9143.5 Ų43.564%0.63623%0.229SC*.SBendtrans62.427.4-177.5-48.90000114.4L54 T55 R56L54-S58 VanDerWaalsContact CD1-C 3.43Å; T55-S58 PolarHBondContact O-N 3.41Å; R56-S58 VanDerWaalsContact C-N 3.26Å; R56-S58 PolarHBondContact O-N 3.37Å
59V94.2Very high96.4Very high24 Ų2443.9 Ų43.915%0.14523%0.23CC..  trans-97.6124.4172.5-176.80000109.9T55 D57 I61 L105 L148T55-V59 PolarHBondContact N-O 3.45Å; T55-V59 WeakPolarHBondContact OG1-CB 3.06Å; T55-V59 PolarHBondContact OG1-N 2.91Å; T55-V59 PolarHBondContact OG1-O 3.42Å; D57-V59 VanDerWaalsContact C-N 3.25Å; D57-V59 PolarHBondContact O-N 2.86Å; V59-I61 HydrophobicContact CG1-CG2 4.05Å; V59-L105 HydrophobicContact CG1-CD2 4.27Å; V59-L105 HydrophobicContact CG2-CD2 4.47Å; V59-L148 HydrophobicContact CG1-CD1 3.59Å; V59-L148 HydrophobicContact CG2-CD1 4.16Å
60T95.4Very high96.5Very high69 Ų6945 Ų4542%0.42323%0.227SC..EExtended strand (participates in β ladder)trans-77.8123.2171.8-51.50000110I53 P145I53-T60 WeakPolarHBondContact O-CA 3.39Å; T60-P145 VanDerWaalsContact O-CD 3.23Å; T60-P145 WeakPolarHBondContact O-CD 3.4Å
61I95.8Very high96.6Very high1 Ų142.3 Ų42.31%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-129.8154.1175.561.3175000110.7E52 I53 T55 V59 V63 L105 I108 V142 R143 L144E52-I61 WeakPolarHBondContact CA-O 3.49Å; I53-I61 HydrophobicContact CB-CG1 4.49Å; I53-I61 PolarHBondContact N-O 2.81Å; I53-I61 PolarHBondContact O-N 2.92Å; T55-I61 HydrophobicContact CG2-CD1 3.43Å; T55-I61 VanDerWaalsContact CG2-CD1 3.43Å; T55-I61 HydrophobicContact CG2-CG1 3.77Å; T55-I61 HydrophobicContact CG2-CG2 4.45Å; V59-I61 HydrophobicContact CG1-CG2 4.05Å; I61-V63 HydrophobicContact CD1-CG2 3.63Å; I61-V63 HydrophobicContact CG1-CG2 3.94Å; I61-L105 HydrophobicContact CG2-CD1 3.83Å; I61-I108 HydrophobicContact CD1-CD1 3.61Å; I61-I108 HydrophobicContact CD1-CG2 4.34Å; I61-V142 HydrophobicContact CD1-CG1 4.18Å; I61-R143 WeakPolarHBondContact CA-O 3.09Å; I61-L144 HydrophobicContact CG2-CG 4.24Å
62S96.5Very high96.5Very high7 Ų746 Ų465%0.04922%0.223CC..EExtended strand (participates in β ladder)trans-110.1113.9174.8-163.10000108.7Q51 E52 R143Q51-S62 WeakPolarHBondContact O-CA 3.45Å; E52-S62 WeakPolarHBondContact OE1-CB 3.28Å; E52-S62 PolarHBondContact OE1-OG 3.15Å; S62-R143 PolarHBondContact N-O 2.87Å; S62-R143 PolarHBondContact O-N 3.13Å; S62-R143 PolarHBondContact OG-NH2 3.49Å; S62-R143 VanDerWaalsContact OG-NH2 3.08Å
63V96.4Very high96.5Very high0 Ų042.8 Ų42.80%021%0.21CC..EExtended strand (participates in β ladder)trans-120.2131.5-176.3-176.20000111.2P50 Q51 I53 I61 L100 I139 D141 V142P50-V63 WeakPolarHBondContact CA-O 3.07Å; Q51-V63 PolarHBondContact N-O 3.4Å; Q51-V63 PolarHBondContact O-N 2.84Å; I53-V63 HydrophobicContact CD1-CB 4.5Å; I61-V63 HydrophobicContact CD1-CG2 3.63Å; I61-V63 HydrophobicContact CG1-CG2 3.94Å; V63-L100 HydrophobicContact CB-CD1 3.78Å; V63-L100 HydrophobicContact CG1-CD1 3.7Å; V63-L100 HydrophobicContact CG2-CD1 3.87Å; V63-I139 HydrophobicContact CG1-CG2 3.93Å; V63-D141 WeakPolarHBondContact CA-O 3.23Å; V63-V142 HydrophobicContact CG1-CG2 4.2Å; V63-V142 HydrophobicContact CG2-CB 4.37Å; V63-V142 HydrophobicContact CG2-CG1 4.06Å; V63-V142 HydrophobicContact CG2-CG2 4.07Å
64D96.2Very high96.5Very high27 Ų2742.8 Ų42.814%0.14421%0.211CC..EExtended strand (participates in β ladder)trans-115.7158.5168.965.68.5000111.8V48 P50 K140 D141V48-D64 WeakPolarHBondContact O-CB 3.41Å; P50-D64 HydrophobicContact CB-CB 4.49Å; P50-D64 HydrophobicContact CG-CB 4.14Å; D64-K140 PolarHBondContact O-N 3.39Å; D64-K140 VanDerWaalsContact OD1-CB 3.25Å; D64-K140 WeakPolarHBondContact OD1-CB 3.41Å; D64-D141 PolarHBondContact N-O 2.94Å; D64-D141 WeakPolarHBondContact OD1-CA 3.27Å; D64-D141 WeakPolarHBondContact OD1-CB 3.4Å; D64-D141 PolarHBondContact OD1-N 3.4Å
65A97.3Very high96.4Very high0 Ų039.1 Ų39.10%019%0.193CC..EExtended strand (participates in β ladder)trans-150.1163.1-173.700000110.9V48 L96 E138V48-A65 HydrophobicContact CB-CB 4.25Å; V48-A65 WeakPolarHBondContact CB-O 3.38Å; V48-A65 HydrophobicContact CG2-CB 4.16Å; V48-A65 WeakPolarHBondContact CG2-O 3.33Å; V48-A65 PolarHBondContact N-O 3.02Å; A65-L96 HydrophobicContact CB-CD2 4.3Å; A65-E138 CarbonylContact C-O 3.38Å; A65-E138 WeakPolarHBondContact CA-O 3.41Å; A65-E138 VanDerWaalsContact CB-O 3.3Å; A65-E138 WeakPolarHBondContact CB-O 3.44Å
66V97.9Very high96.3Very high18 Ų1840.5 Ų40.511%0.10920%0.201CC..EExtended strand (participates in β ladder)trans-122.1134.9173-177.10000108.8Y68 E138V66-Y68 HydrophobicContact CB-CE2 4.32Å; V66-Y68 HydrophobicContact CG1-CD2 4.32Å; V66-Y68 HydrophobicContact CG1-CE2 3.67Å; V66-E138 PolarHBondContact N-O 2.92Å; V66-E138 PolarHBondContact O-N 2.82Å
67I98.1Very high96.3Very high0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-114.2132.9177.2-47.1-59.7000109.4S45 F46 V48 Y69 T92 M119 L123 V134 V137S45-I67 WeakPolarHBondContact CA-O 3.43Å; F46-I67 HydrophobicContact CD1-CB 4.18Å; F46-I67 HydrophobicContact CE1-CB 3.65Å; F46-I67 HydrophobicContact CE1-CG1 4.07Å; F46-I67 HydrophobicContact CE1-CG2 4.14Å; F46-I67 HydrophobicContact CE2-CG1 4.24Å; F46-I67 HydrophobicContact CZ-CB 3.91Å; F46-I67 HydrophobicContact CZ-CG1 3.77Å; F46-I67 PolarHBondContact N-O 2.61Å; F46-I67 VanDerWaalsContact N-O 3.16Å; F46-I67 PolarHBondContact O-N 3.49Å; F46-I67 VanDerWaalsContact O-N 3.14Å; V48-I67 HydrophobicContact CG2-CD1 4.2Å; V48-I67 HydrophobicContact CG2-CG1 3.78Å; I67-Y69 HydrophobicContact CG2-CD1 4.38Å; I67-T92 HydrophobicContact CD1-CG2 3.56Å; I67-T92 HydrophobicContact CG1-CG2 3.48Å; I67-T92 VanDerWaalsContact CG1-CG2 3.48Å; I67-M119 HydrophobicContact CD1-CE 3.55Å; I67-L123 HydrophobicContact CD1-CD1 4.14Å; I67-V134 HydrophobicContact CG2-CG1 3.9Å; I67-V137 HydrophobicContact CD1-CB 4.18Å; I67-V137 HydrophobicContact CD1-CG1 3.77Å; I67-V137 HydrophobicContact CD1-CG2 3.76Å
68Y98.3Very high96.2Very high56 Ų5630.8 Ų30.822%0.2217%0.165CC..EExtended strand (participates in β ladder)trans-109.8121.8170.5-60.7-94.7000108.5T43 V66 E135 R136 E138T43-Y68 HydrophobicContact CG2-CD1 4.43Å; V66-Y68 HydrophobicContact CB-CE2 4.32Å; V66-Y68 HydrophobicContact CG1-CD2 4.32Å; V66-Y68 HydrophobicContact CG1-CE2 3.67Å; Y68-E135 PolarHBondContact O-N 2.85Å; Y68-R136 HydrophobicContact CD2-CB 4Å; Y68-R136 HydrophobicContact CD2-CG 4.43Å; Y68-R136 HydrophobicContact CG-CB 4.39Å; Y68-R136 PolarHBondContact N-O 3.18Å; Y68-R136 PolarHBondContact O-N 3.34Å; Y68-E138 HydrophobicContact CE2-CG 4.4Å
69Y98.2Very high96.2Very high9 Ų928.9 Ų28.94%0.03515%0.154CC..EExtended strand (participates in β ladder)trans-148.1163.9-179.973.5-79.2000110.7T43 V44 F46 I67 H85 I132 I133T43-Y69 WeakPolarHBondContact CA-O 3.24Å; V44-Y69 HydrophobicContact CG2-CD1 4.05Å; V44-Y69 HydrophobicContact CG2-CD2 4.25Å; V44-Y69 HydrophobicContact CG2-CE1 3.58Å; V44-Y69 HydrophobicContact CG2-CE2 3.85Å; V44-Y69 HydrophobicContact CG2-CG 4.37Å; V44-Y69 WeakPolarHBondContact CG2-O 3.37Å; V44-Y69 PolarHBondContact N-O 3.07Å; V44-Y69 PolarHBondContact O-N 2.95Å; V44-Y69 VanDerWaalsContact O-O 3.14Å; F46-Y69 HydrophobicContact CD1-CD1 4.08Å; F46-Y69 AromaticContact CD1-CE1 3.5Å; F46-Y69 HydrophobicContact CD1-CE1 3.5Å; F46-Y69 VanDerWaalsContact CD1-CE1 3.5Å; F46-Y69 AromaticContact CE1-CD1 3.85Å; F46-Y69 HydrophobicContact CE1-CD1 3.85Å; F46-Y69 AromaticContact CE1-CE1 3.47Å; F46-Y69 HydrophobicContact CE1-CE1 3.47Å; F46-Y69 VanDerWaalsContact CE1-CE1 3.47Å; I67-Y69 HydrophobicContact CG2-CD1 4.38Å; Y69-H85 AromaticContact CE2-ND1 3.6Å; Y69-H85 AromaticContact CZ-ND1 3.51Å; Y69-H85 PolarHBondContact OH-ND1 3.02Å; Y69-I132 HydrophobicContact CD2-CD1 4.21Å; Y69-I132 HydrophobicContact CD2-CG1 4.33Å; Y69-I132 HydrophobicContact CD2-CG2 3.6Å; Y69-I132 HydrophobicContact CE2-CD1 4.04Å; Y69-I132 HydrophobicContact CE2-CG2 4.47Å; Y69-I132 HydrophobicContact CG-CG2 4.19Å; Y69-I133 VanDerWaalsContact CA-O 3.26Å; Y69-I133 WeakPolarHBondContact CA-O 3.38Å; Y69-I133 VanDerWaalsContact CB-O 3.31Å; Y69-I133 WeakPolarHBondContact CB-O 3.38Å
70R97.5Very high96.2Very high77 Ų7732.6 Ų32.629%0.29117%0.174SC..EExtended strand (participates in β ladder)trans-142.9158171.862.7179.8177.1797111.2R42 I132 I133 E135R42-R70 WeakPolarHBondContact O-CB 3.47Å; R70-I132 WeakPolarHBondContact O-CA 3.47Å; R70-I133 PolarHBondContact N-O 3.39Å; R70-I133 PolarHBondContact O-N 2.92Å; R70-E135 WeakPolarHBondContact CD-OE1 3.28Å; R70-E135 HydrophobicContact CG-CG 4.49Å; R70-E135 IonicContact CZ-OE1 2.76Å; R70-E135 IonicContact NE-OE1 3.26Å; R70-E135 PolarHBondContact NE-OE1 3.34Å
71I97.8Very high96.2Very high5 Ų530.4 Ų30.43%0.02616%0.16CC..EExtended strand (participates in β ladder)trans-81123.1169.9-63.2165.5000107.6V39 L41 S77 G131 I132V39-I71 HydrophobicContact CG1-CB 4.17Å; V39-I71 HydrophobicContact CG1-CD1 3.48Å; V39-I71 VanDerWaalsContact CG1-CD1 3.48Å; V39-I71 HydrophobicContact CG1-CG1 4.41Å; V39-I71 HydrophobicContact CG1-CG2 3.88Å; L41-I71 HydrophobicContact CD2-CG2 4.31Å; L41-I71 VanDerWaalsContact CD2-O 3.27Å; L41-I71 WeakPolarHBondContact CD2-O 3.31Å; I71-S77 WeakPolarHBondContact CD1-OG 3.49Å; I71-G131 CarbonylContact C-O 3.59Å; I71-G131 WeakPolarHBondContact CA-O 3.45Å; I71-I132 HydrophobicContact CG1-CG1 4Å
72Y95.9Very high96Very high93 Ų9340.2 Ų40.237%0.36521%0.206SC..SBendtrans-96-29.7172.981.6-89.3000111.9E128 G131 I133Y72-E128 PolarHBondContact OH-O 3.49Å; Y72-G131 WeakPolarHBondContact CD1-O 3.42Å; Y72-G131 PolarHBondContact N-O 3.02Å; Y72-I133 HydrophobicContact CD1-CD1 3.8Å; Y72-I133 HydrophobicContact CD1-CG1 3.56Å; Y72-I133 HydrophobicContact CE1-CG1 4.21Å; Y72-I133 HydrophobicContact CG-CD1 3.75Å; Y72-I133 HydrophobicContact CG-CG1 4.06Å
73N95.7Very high95.9Very high53 Ų5343.8 Ų43.828%0.28322%0.224SC..  trans-125.499.4178.4-171.1-29.3000110.9T75 V76 S77 G131N73-T75 VanDerWaalsContact C-N 3.33Å; N73-T75 PolarHBondContact O-N 3.18Å; N73-T75 PolarHBondContact OD1-N 3.37Å; N73-T75 VanDerWaalsContact OD1-N 3.11Å; N73-V76 HydrophobicContact CB-CB 4.08Å; N73-V76 HydrophobicContact CB-CG2 4.24Å; N73-V76 VanDerWaalsContact CG-CG2 3.47Å; N73-V76 VanDerWaalsContact ND2-CG2 3.33Å; N73-V76 WeakPolarHBondContact ND2-CG2 3.26Å; N73-V76 PolarHBondContact O-N 3.23Å; N73-V76 PolarHBondContact OD1-N 2.67Å; N73-V76 VanDerWaalsContact OD1-N 3.08Å; N73-S77 WeakPolarHBondContact O-CB 3.28Å; N73-S77 PolarHBondContact O-N 3Å; N73-G131 PolarHBondContact N-O 2.67Å; N73-G131 VanDerWaalsContact N-O 3.17Å
74A95.7Very high95.8Very high4 Ų444 Ų443%0.03323%0.227CC..Hα-helixtrans-61.1-39.4-179.700000112.9R7 V9 A21 V39 L41 S77 V78R7-A74 HydrophobicContact CB-CB 3.83Å; V9-A74 HydrophobicContact CG2-CB 3.93Å; V9-A74 WeakPolarHBondContact CG2-O 3.12Å; A21-A74 HydrophobicContact CB-CB 4.02Å; V39-A74 HydrophobicContact CB-CB 3.79Å; V39-A74 HydrophobicContact CG1-CB 3.99Å; V39-A74 HydrophobicContact CG2-CB 4.01Å; L41-A74 HydrophobicContact CD2-CB 4.45Å; A74-S77 PolarHBondContact O-N 3.3Å; A74-V78 WeakPolarHBondContact O-CG2 3.29Å; A74-V78 PolarHBondContact O-N 3.45Å
75T95.1Very high95.8Very high28 Ų2846.7 Ų46.717%0.17224%0.238CC..Hα-helixtrans-62.9-46.7179.7-58.10000111L16 A21 N73 V78 A79L16-T75 HydrophobicContact CD1-CG2 3.82Å; L16-T75 HydrophobicContact CD2-CG2 4.09Å; A21-T75 PolarHBondContact N-OG1 2.87Å; A21-T75 VanDerWaalsContact N-OG1 3.11Å; N73-T75 VanDerWaalsContact C-N 3.33Å; N73-T75 PolarHBondContact O-N 3.18Å; N73-T75 PolarHBondContact OD1-N 3.37Å; N73-T75 VanDerWaalsContact OD1-N 3.11Å; T75-V78 PolarHBondContact O-N 3.27Å; T75-A79 WeakPolarHBondContact O-CB 3.34Å; T75-A79 PolarHBondContact O-N 3.08Å
76V95Very high95.8Very high33 Ų3351.6 Ų51.620%0.226%0.26CS..Hα-helixtrans-66.5-41.4179.1173.40000111.2N73 V78 A79 N80 K129N73-V76 HydrophobicContact CB-CB 4.08Å; N73-V76 HydrophobicContact CB-CG2 4.24Å; N73-V76 VanDerWaalsContact CG-CG2 3.47Å; N73-V76 VanDerWaalsContact ND2-CG2 3.33Å; N73-V76 WeakPolarHBondContact ND2-CG2 3.26Å; N73-V76 PolarHBondContact O-N 3.23Å; N73-V76 PolarHBondContact OD1-N 2.67Å; N73-V76 VanDerWaalsContact OD1-N 3.08Å; V76-V78 PolarHBondContact O-N 3.1Å; V76-A79 PolarHBondContact O-N 3.4Å; V76-N80 HydrophobicContact CG1-CB 4.32Å; V76-N80 WeakPolarHBondContact CG1-ND2 3.18Å; V76-N80 WeakPolarHBondContact O-CB 3.32Å; V76-N80 PolarHBondContact O-N 3.45Å; V76-K129 WeakPolarHBondContact CG1-O 3.36Å
77S95.7Very high95.7Very high10 Ų1051.6 Ų51.67%0.0726%0.263CS..Hα-helixtrans-61.5-29.7179.11750000114.3I71 N73 A74 V81 A84 W130I71-S77 WeakPolarHBondContact CD1-OG 3.49Å; N73-S77 WeakPolarHBondContact O-CB 3.28Å; N73-S77 PolarHBondContact O-N 3Å; A74-S77 PolarHBondContact O-N 3.3Å; S77-V81 WeakPolarHBondContact O-CG1 3.27Å; S77-A84 WeakPolarHBondContact OG-CB 3.29Å; S77-W130 WeakPolarHBondContact CA-O 3.5Å; S77-W130 VanDerWaalsContact CB-O 3.28Å; S77-W130 WeakPolarHBondContact CB-O 3.33Å; S77-W130 PolarHBondContact N-O 3.38Å
78V94.5Very high95.6Very high41 Ų4151.6 Ų51.625%0.24826%0.263CS..Hα-helixtrans-92.5-29.7178-177.10000111.4V9 F11 T37 V39 A74 T75 V76V9-V78 HydrophobicContact CB-CG2 4.36Å; V9-V78 HydrophobicContact CG1-CB 4.37Å; V9-V78 HydrophobicContact CG2-CB 4.4Å; V9-V78 HydrophobicContact CG2-CG2 3.95Å; F11-V78 HydrophobicContact CE2-CG1 3.87Å; F11-V78 HydrophobicContact CZ-CG1 3.71Å; T37-V78 HydrophobicContact CG2-CG2 4.28Å; V39-V78 HydrophobicContact CG2-CG2 3.58Å; A74-V78 WeakPolarHBondContact O-CG2 3.29Å; A74-V78 PolarHBondContact O-N 3.45Å; T75-V78 PolarHBondContact O-N 3.27Å; V76-V78 PolarHBondContact O-N 3.1Å
79A93Very high95.5Very high51 Ų5153.5 Ų53.542%0.42127%0.269SS..Hα-helixtrans-86.1-36.1-174.500000114L16 T75 V76L16-A79 HydrophobicContact CD1-CB 4.2Å; T75-A79 WeakPolarHBondContact O-CB 3.34Å; T75-A79 PolarHBondContact O-N 3.08Å; V76-A79 PolarHBondContact O-N 3.4Å
80N94.2Very high95.5Very high103 Ų10357 Ų5755%0.55129%0.288SS*.SBendtrans-94.9-14.3-169.1-73.98.7000114.1V76 K129V76-N80 HydrophobicContact CG1-CB 4.32Å; V76-N80 WeakPolarHBondContact CG1-ND2 3.18Å; V76-N80 WeakPolarHBondContact O-CB 3.32Å; V76-N80 PolarHBondContact O-N 3.45Å; N80-K129 WeakPolarHBondContact CB-O 3.02Å; N80-K129 PolarHBondContact ND2-O 3.19Å
81V94.7Very high95.4Very high23 Ų2355.1 Ų55.114%0.13928%0.284CS..  trans-146.3138.2-176.561.10000109.8S77 N83 A84 A87 W130S77-V81 WeakPolarHBondContact O-CG1 3.27Å; V81-N83 PolarHBondContact O-N 2.85Å; V81-A84 HydrophobicContact CG1-CB 3.53Å; V81-A87 HydrophobicContact CG2-CB 3.67Å; V81-W130 HydrophobicContact CB-CG 4.11Å; V81-W130 HydrophobicContact CG1-CB 3.95Å; V81-W130 HydrophobicContact CG1-CG 3.89Å
82E92.9Very high95.4Very high206 Ų20654.9 Ų54.996%0.96328%0.283SS*.SBendtrans-60.7-46-179.7-176.7-176.6-178.800111.6
83N94.4Very high95.5Very high82 Ų8252.4 Ų52.444%0.43928%0.275SS..  trans-142.699.4175.9-174.3-30.2000110.2V81 H85 H86 A87V81-N83 PolarHBondContact O-N 2.85Å; N83-H85 VanDerWaalsContact C-N 3.32Å; N83-H85 PolarHBondContact O-N 2.71Å; N83-H85 PolarHBondContact OD1-N 3.29Å; N83-H86 HydrophobicContact CB-CB 3.94Å; N83-H86 PolarHBondContact O-N 2.96Å; N83-H86 PolarHBondContact OD1-N 2.69Å; N83-A87 WeakPolarHBondContact O-CB 3.48Å; N83-A87 PolarHBondContact O-N 2.99Å
84A94.9Very high95.5Very high6 Ų652.8 Ų52.85%0.0528%0.279CS..Hα-helixtrans-60.5-40.2-176.100000112.6S77 V81 T88 I132S77-A84 WeakPolarHBondContact OG-CB 3.29Å; V81-A84 HydrophobicContact CG1-CB 3.53Å; A84-T88 VanDerWaalsContact O-CB 3.29Å; A84-T88 WeakPolarHBondContact O-CB 3.01Å; A84-T88 PolarHBondContact O-N 2.91Å; A84-T88 PolarHBondContact O-OG1 3.24Å; A84-I132 HydrophobicContact CB-CD1 3.8Å
85H95.4Very high95.5Very high82 Ų8252.9 Ų52.938%0.3828%0.279SS..Hα-helixtrans-65.2-47178.4-60.2-60.6000111.4Y69 N83 T88 R89Y69-H85 AromaticContact CE2-ND1 3.6Å; Y69-H85 AromaticContact CZ-ND1 3.51Å; Y69-H85 PolarHBondContact OH-ND1 3.02Å; N83-H85 VanDerWaalsContact C-N 3.32Å; N83-H85 PolarHBondContact O-N 2.71Å; N83-H85 PolarHBondContact OD1-N 3.29Å; H85-T88 PolarHBondContact O-N 2.96Å; H85-R89 VanDerWaalsContact O-CG 3.28Å; H85-R89 WeakPolarHBondContact O-CG 3.42Å; H85-R89 PolarHBondContact O-N 3.38Å; H85-R89 VanDerWaalsContact O-N 3.08Å
86H96.3Very high95.6Very high103 Ų10351.5 Ų51.548%0.47727%0.271SS..Hα-helixtrans-66.6-45.2179.3-179-100.5000112.3N83 T88 R89 L90N83-H86 HydrophobicContact CB-CB 3.94Å; N83-H86 PolarHBondContact O-N 2.96Å; N83-H86 PolarHBondContact OD1-N 2.69Å; H86-T88 VanDerWaalsContact C-N 3.31Å; H86-T88 PolarHBondContact O-N 3.3Å; H86-R89 WeakPolarHBondContact O-CB 3.36Å; H86-R89 PolarHBondContact O-N 2.86Å; H86-L90 WeakPolarHBondContact CE1-CD1 3.5Å; H86-L90 PolarHBondContact O-N 3.2Å; H86-L90 VanDerWaalsContact O-N 3.1Å
87A96.6Very high95.6Very high19 Ų1954.7 Ų54.716%0.15728%0.28CS..Hα-helixtrans-59.7-42.2177.100000111.6V81 N83 R89 L90 L91 W130V81-A87 HydrophobicContact CG2-CB 3.67Å; N83-A87 WeakPolarHBondContact O-CB 3.48Å; N83-A87 PolarHBondContact O-N 2.99Å; A87-R89 PolarHBondContact O-N 3.41Å; A87-L90 PolarHBondContact O-N 3.48Å; A87-L91 WeakPolarHBondContact O-CB 3.32Å; A87-L91 PolarHBondContact O-N 2.82Å; A87-W130 HydrophobicContact CB-CE3 4.29Å; A87-W130 HydrophobicContact CB-CH2 3.68Å; A87-W130 HydrophobicContact CB-CZ2 4.02Å; A87-W130 HydrophobicContact CB-CZ3 3.83Å
88T96.3Very high95.6Very high0 Ų059.4 Ų59.40%030%0.304CS..Hα-helixtrans-60.7-44.6174.9-57.60000111.6F46 A84 H85 H86 L90 L91 T92 T127 I132F46-T88 HydrophobicContact CE1-CG2 4.39Å; F46-T88 HydrophobicContact CZ-CG2 4.49Å; A84-T88 VanDerWaalsContact O-CB 3.29Å; A84-T88 WeakPolarHBondContact O-CB 3.01Å; A84-T88 PolarHBondContact O-N 2.91Å; A84-T88 PolarHBondContact O-OG1 3.24Å; H85-T88 PolarHBondContact O-N 2.96Å; H86-T88 VanDerWaalsContact C-N 3.31Å; H86-T88 PolarHBondContact O-N 3.3Å; T88-L90 PolarHBondContact O-N 2.72Å; T88-L91 PolarHBondContact O-N 2.79Å; T88-T92 WeakPolarHBondContact O-CB 3.33Å; T88-T92 PolarHBondContact O-N 3.35Å; T88-T92 PolarHBondContact O-OG1 3.49Å; T88-T127 HydrophobicContact CG2-CG2 4.18Å; T88-I132 VanDerWaalsContact OG1-CD1 3.24Å; T88-I132 WeakPolarHBondContact OG1-CD1 3.44Å
89R96.7Very high95.7Very high95 Ų9558.1 Ų58.136%0.35830%0.295SS..Hα-helixtrans-58.1-46.3177-69.1172.669.985.48.4112.5F46 H85 H86 A87 Q93F46-R89 VanDerWaalsContact CB-NH1 3.29Å; F46-R89 HydrophobicContact CD1-CG 4.47Å; F46-R89 HydrophobicContact CD2-CG 3.74Å; F46-R89 HydrophobicContact CE1-CG 4.27Å; F46-R89 HydrophobicContact CE2-CB 4.03Å; F46-R89 HydrophobicContact CE2-CG 3.55Å; F46-R89 HydrophobicContact CG-CG 4.19Å; F46-R89 HydrophobicContact CZ-CB 4.32Å; F46-R89 HydrophobicContact CZ-CG 3.81Å; H85-R89 VanDerWaalsContact O-CG 3.28Å; H85-R89 WeakPolarHBondContact O-CG 3.42Å; H85-R89 PolarHBondContact O-N 3.38Å; H85-R89 VanDerWaalsContact O-N 3.08Å; H86-R89 WeakPolarHBondContact O-CB 3.36Å; H86-R89 PolarHBondContact O-N 2.86Å; A87-R89 PolarHBondContact O-N 3.41Å; R89-Q93 WeakPolarHBondContact O-CG 3.26Å; R89-Q93 PolarHBondContact O-N 3.3Å
90L96.9Very high95.8Very high82 Ų8255.7 Ų55.743%0.42928%0.275SS..Hα-helixtrans-66.3-45.1178.6-70.4177.5000111.7H86 A87 T88 T92 Q93 T94H86-L90 WeakPolarHBondContact CE1-CD1 3.5Å; H86-L90 PolarHBondContact O-N 3.2Å; H86-L90 VanDerWaalsContact O-N 3.1Å; A87-L90 PolarHBondContact O-N 3.48Å; T88-L90 PolarHBondContact O-N 2.72Å; L90-T92 VanDerWaalsContact C-N 3.33Å; L90-T92 PolarHBondContact O-N 2.85Å; L90-Q93 PolarHBondContact O-N 3.03Å; L90-T94 PolarHBondContact O-N 3.48Å; L90-T94 VanDerWaalsContact O-N 3.09Å; L90-T94 PolarHBondContact O-OG1 2.94Å
91L96.9Very high95.9Very high39 Ų3951.9 Ų51.920%0.20426%0.26CS..Hα-helixtrans-57.3-48.2176.917965.6000110.7A87 T88 Q93 T94 A95 L123 A126 T127 W130A87-L91 WeakPolarHBondContact O-CB 3.32Å; A87-L91 PolarHBondContact O-N 2.82Å; T88-L91 PolarHBondContact O-N 2.79Å; L91-Q93 VanDerWaalsContact C-N 3.33Å; L91-Q93 PolarHBondContact O-N 3.16Å; L91-T94 PolarHBondContact O-N 3.35Å; L91-T94 VanDerWaalsContact O-N 3.16Å; L91-T94 PolarHBondContact O-OG1 2.91Å; L91-A95 WeakPolarHBondContact O-CB 3.48Å; L91-A95 PolarHBondContact O-N 3.33Å; L91-L123 HydrophobicContact CD2-CD2 4.2Å; L91-L123 HydrophobicContact CG-CD2 3.95Å; L91-A126 HydrophobicContact CD2-CB 3.7Å; L91-T127 HydrophobicContact CD2-CG2 3.65Å; L91-W130 HydrophobicContact CB-CH2 4.14Å; L91-W130 HydrophobicContact CB-CZ3 4.34Å; L91-W130 HydrophobicContact CD2-CH2 3.83Å; L91-W130 HydrophobicContact CD2-CZ3 3.8Å
92T97Very high95.9Very high0 Ų057.6 Ų57.60%029%0.287CS..Hα-helixtrans-55.1-45.3176-60.90000112.5F46 V48 I67 T88 L90 T94 A95 L96 M119 L123F46-T92 HydrophobicContact CZ-CG2 4.46Å; V48-T92 HydrophobicContact CG1-CG2 4.33Å; V48-T92 HydrophobicContact CG2-CG2 3.39Å; I67-T92 HydrophobicContact CD1-CG2 3.56Å; I67-T92 HydrophobicContact CG1-CG2 3.48Å; I67-T92 VanDerWaalsContact CG1-CG2 3.48Å; T88-T92 WeakPolarHBondContact O-CB 3.33Å; T88-T92 PolarHBondContact O-N 3.35Å; T88-T92 PolarHBondContact O-OG1 3.49Å; L90-T92 VanDerWaalsContact C-N 3.33Å; L90-T92 PolarHBondContact O-N 2.85Å; T92-T94 PolarHBondContact O-N 2.9Å; T92-A95 PolarHBondContact O-N 2.94Å; T92-L96 WeakPolarHBondContact O-CB 3.31Å; T92-L96 PolarHBondContact O-N 3.1Å; T92-M119 HydrophobicContact CG2-CE 3.54Å; T92-L123 HydrophobicContact CG2-CD1 4.09Å
93Q97.1Very high96.1Very high41 Ų4151.1 Ų51.119%0.19226%0.256CS..Hα-helixtrans-61.6-44.1178.6-70.51723.700111.8V48 R89 L90 L91 R97V48-Q93 HydrophobicContact CG1-CG 3.92Å; R89-Q93 WeakPolarHBondContact O-CG 3.26Å; R89-Q93 PolarHBondContact O-N 3.3Å; L90-Q93 PolarHBondContact O-N 3.03Å; L91-Q93 VanDerWaalsContact C-N 3.33Å; L91-Q93 PolarHBondContact O-N 3.16Å; Q93-R97 WeakPolarHBondContact O-CB 3.38Å; Q93-R97 PolarHBondContact O-N 2.84Å; Q93-R97 VanDerWaalsContact O-N 3.11Å
94T96.4Very high96.2Very high60 Ų6047.8 Ų47.837%0.36824%0.239SC..Hα-helixtrans-68.7-41.4178.660.80000112.5L90 L91 T92 R97 N98L90-T94 PolarHBondContact O-N 3.48Å; L90-T94 VanDerWaalsContact O-N 3.09Å; L90-T94 PolarHBondContact O-OG1 2.94Å; L91-T94 PolarHBondContact O-N 3.35Å; L91-T94 VanDerWaalsContact O-N 3.16Å; L91-T94 PolarHBondContact O-OG1 2.91Å; T92-T94 PolarHBondContact O-N 2.9Å; T94-R97 PolarHBondContact O-N 3.37Å; T94-N98 WeakPolarHBondContact O-CB 3.28Å; T94-N98 PolarHBondContact O-N 3.34Å; T94-N98 PolarHBondContact O-ND2 3.08Å
95A96.4Very high96.2Very high6 Ų648.1 Ų48.15%0.0524%0.24CC..Hα-helixtrans-63.7-45.517700000111.8L91 T92 R97 N98 L99 L122 L123L91-A95 WeakPolarHBondContact O-CB 3.48Å; L91-A95 PolarHBondContact O-N 3.33Å; T92-A95 PolarHBondContact O-N 2.94Å; A95-R97 PolarHBondContact O-N 2.88Å; A95-N98 PolarHBondContact O-N 3.41Å; A95-L99 VanDerWaalsContact O-CB 3.25Å; A95-L99 WeakPolarHBondContact O-CB 3.47Å; A95-L99 PolarHBondContact O-N 2.88Å; A95-L122 HydrophobicContact CB-CD2 3.61Å; A95-L123 HydrophobicContact CB-CD2 3.74Å; A95-L123 HydrophobicContact CB-CG 4.44Å
96L96Very high96.1Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-58.3-48.3176.5-177.766.9000110.6V48 Q51 I53 A65 T92 N98 L100 M119V48-L96 HydrophobicContact CG1-CD2 3.96Å; Q51-L96 HydrophobicContact CB-CD2 4.43Å; Q51-L96 HydrophobicContact CG-CD2 3.91Å; I53-L96 HydrophobicContact CD1-CG 4.47Å; A65-L96 HydrophobicContact CB-CD2 4.3Å; T92-L96 WeakPolarHBondContact O-CB 3.31Å; T92-L96 PolarHBondContact O-N 3.1Å; L96-N98 PolarHBondContact O-N 3.18Å; L96-L100 HydrophobicContact CD1-CD1 3.46Å; L96-L100 VanDerWaalsContact CD1-CD1 3.46Å; L96-L100 HydrophobicContact CD1-CG 4Å; L96-L100 HydrophobicContact CG-CD1 3.87Å; L96-L100 VanDerWaalsContact O-CB 3.31Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.43Å; L96-L100 PolarHBondContact O-N 2.86Å; L96-M119 HydrophobicContact CB-CE 4.12Å; L96-M119 HydrophobicContact CB-SD 4.22Å; L96-M119 HydrophobicContact CD1-CE 4.1Å; L96-M119 HydrophobicContact CD1-SD 3.54Å; L96-M119 VanDerWaalsContact CD1-SD 3.54Å; L96-M119 HydrophobicContact CG-SD 4.48Å
97R96Very high96Very high100 Ų10046.9 Ų46.938%0.37724%0.243SC..Hα-helixtrans-59.4-47.9177.2-176.8-178.7-55.5116.13.6112.3I53 Q93 T94 A95 G101I53-R97 HydrophobicContact CG1-CB 4.32Å; I53-R97 HydrophobicContact CG1-CG 4.16Å; Q93-R97 WeakPolarHBondContact O-CB 3.38Å; Q93-R97 PolarHBondContact O-N 2.84Å; Q93-R97 VanDerWaalsContact O-N 3.11Å; T94-R97 PolarHBondContact O-N 3.37Å; A95-R97 PolarHBondContact O-N 2.88Å; R97-G101 PolarHBondContact O-N 3.14Å
98N95.5Very high95.9Very high108 Ų10846 Ų4658%0.57824%0.235SC*.Hα-helixtrans-66.9-46.4-177.3-69.5-14.4000111.7T94 A95 L96 G101 M102T94-N98 WeakPolarHBondContact O-CB 3.28Å; T94-N98 PolarHBondContact O-N 3.34Å; T94-N98 PolarHBondContact O-ND2 3.08Å; A95-N98 PolarHBondContact O-N 3.41Å; L96-N98 PolarHBondContact O-N 3.18Å; N98-G101 PolarHBondContact O-N 3.16Å; N98-M102 WeakPolarHBondContact O-CG 3.42Å; N98-M102 PolarHBondContact O-N 2.88Å
99L95.6Very high95.7Very high14 Ų1448.7 Ų48.77%0.07325%0.249CC..Hα-helixtrans-66.4-48.4-177.2-173.6154.5000111.2A95 G101 M102 K103 I115 C118 M119A95-L99 VanDerWaalsContact O-CB 3.25Å; A95-L99 WeakPolarHBondContact O-CB 3.47Å; A95-L99 PolarHBondContact O-N 2.88Å; L99-G101 VanDerWaalsContact C-N 3.32Å; L99-G101 PolarHBondContact O-N 2.72Å; L99-M102 PolarHBondContact O-N 2.87Å; L99-K103 WeakPolarHBondContact O-CG 3.21Å; L99-I115 HydrophobicContact CD2-CB 4.49Å; L99-I115 HydrophobicContact CD2-CG2 3.55Å; L99-C118 HydrophobicContact CD1-CB 4.13Å; L99-M119 HydrophobicContact CD1-CB 3.93Å
100L95.7Very high95.5Very high0 Ų049.3 Ų49.30%027%0.268CS..Hα-helixtrans-69.2-30.9179.3-65.9-179.6000112.3I53 V63 L96 M102 K103 I108 I115I53-L100 HydrophobicContact CD1-CB 4.01Å; I53-L100 HydrophobicContact CD1-CD1 3.66Å; I53-L100 HydrophobicContact CD1-CG 4.41Å; I53-L100 HydrophobicContact CG2-CB 4.17Å; V63-L100 HydrophobicContact CB-CD1 3.78Å; V63-L100 HydrophobicContact CG1-CD1 3.7Å; V63-L100 HydrophobicContact CG2-CD1 3.87Å; L96-L100 HydrophobicContact CD1-CD1 3.46Å; L96-L100 VanDerWaalsContact CD1-CD1 3.46Å; L96-L100 HydrophobicContact CD1-CG 4Å; L96-L100 HydrophobicContact CG-CD1 3.87Å; L96-L100 VanDerWaalsContact O-CB 3.31Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.43Å; L96-L100 PolarHBondContact O-N 2.86Å; L100-M102 PolarHBondContact O-N 3.34Å; L100-K103 PolarHBondContact O-N 3.48Å; L100-K103 VanDerWaalsContact O-N 3.1Å; L100-I108 HydrophobicContact CB-CD1 4.29Å; L100-I108 HydrophobicContact CD2-CD1 4.07Å; L100-I108 HydrophobicContact CD2-CG1 4.03Å; L100-I108 HydrophobicContact CD2-CG2 4.39Å; L100-I115 HydrophobicContact CD2-CD1 4.38Å; L100-I115 HydrophobicContact CD2-CG2 3.57Å
101G96Very high95.3Very high23 Ų2349.3 Ų49.324%0.23727%0.269CS..Hα-helixtrans-62.4-24.9173.600000113.7L54 R56 R97 N98 L99L54-G101 WeakPolarHBondContact O-CA 3.36Å; R56-G101 PolarHBondContact N-O 3.36Å; R97-G101 PolarHBondContact O-N 3.14Å; N98-G101 PolarHBondContact O-N 3.16Å; L99-G101 VanDerWaalsContact C-N 3.32Å; L99-G101 PolarHBondContact O-N 2.72Å
102M96.2Very high95.1Very high143 Ų14352.2 Ų52.270%0.70428%0.277SS*.THydrogen-bonded Turntrans-87.2-5.9176.4-64.5-179.673.300113.9N98 L99 L100N98-M102 WeakPolarHBondContact O-CG 3.42Å; N98-M102 PolarHBondContact O-N 2.88Å; L99-M102 PolarHBondContact O-N 2.87Å; L100-M102 PolarHBondContact O-N 3.34Å
103K96.5Very high95Very high71 Ų7159.3 Ų59.331%0.30931%0.31SS..SBendtrans-103.5149.2-177.9-61.7-65.1-179.4176.30111.1T55 R56 L99 L100 Q107 I108T55-K103 WeakPolarHBondContact CB-O 3.47Å; R56-K103 WeakPolarHBondContact CB-O 3.2Å; R56-K103 PolarHBondContact N-O 3.43Å; L99-K103 WeakPolarHBondContact O-CG 3.21Å; L100-K103 PolarHBondContact O-N 3.48Å; L100-K103 VanDerWaalsContact O-N 3.1Å; K103-Q107 HydrophobicContact CB-CB 4.46Å; K103-I108 HydrophobicContact CB-CD1 4.07Å; K103-I108 HydrophobicContact CB-CG1 3.76Å
104S96.3Very high94.9Very high12 Ų1259.6 Ų59.68%0.08432%0.32CS..  trans-73.6156.4171.168.50000110.3D57 S106 Q107 I108D57-S104 WeakPolarHBondContact OD1-CB 3.25Å; D57-S104 WeakPolarHBondContact OD2-CA 3.43Å; D57-S104 WeakPolarHBondContact OD2-CB 3.46Å; S104-S106 PolarHBondContact O-N 3.47Å; S104-S106 PolarHBondContact OG-OG 3.45Å; S104-Q107 VanDerWaalsContact N-OE1 3.12Å; S104-Q107 PolarHBondContact O-N 3.09Å; S104-Q107 WeakPolarHBondContact OG-CB 3.2Å; S104-Q107 VanDerWaalsContact OG-CD 3.26Å; S104-Q107 WeakPolarHBondContact OG-CG 3.39Å; S104-Q107 PolarHBondContact OG-N 2.97Å; S104-Q107 PolarHBondContact OG-OE1 3.47Å; S104-I108 WeakPolarHBondContact O-CG1 3.35Å; S104-I108 PolarHBondContact O-N 3.19Å; S104-I108 VanDerWaalsContact O-N 3.13Å
105L94.4Very high94.9Very high13 Ų1357.1 Ų57.17%0.06830%0.304CS..Hα-helixtrans-57.9-42.9176.8173.665.8000111D57 V59 I61 Q107 I108 L109 L144 L148 M152D57-L105 PolarHBondContact OD2-N 3.21Å; V59-L105 HydrophobicContact CG1-CD2 4.27Å; V59-L105 HydrophobicContact CG2-CD2 4.47Å; I61-L105 HydrophobicContact CG2-CD1 3.83Å; L105-Q107 VanDerWaalsContact C-N 3.33Å; L105-Q107 PolarHBondContact O-N 3.11Å; L105-I108 PolarHBondContact O-N 3.39Å; L105-L109 HydrophobicContact CD1-CD1 4.08Å; L105-L109 HydrophobicContact CD1-CG 4.15Å; L105-L109 HydrophobicContact CG-CD1 4.06Å; L105-L109 HydrophobicContact CG-CG 4.46Å; L105-L109 WeakPolarHBondContact O-CG 3.15Å; L105-L109 PolarHBondContact O-N 3.41Å; L105-L144 HydrophobicContact CD1-CD2 3.68Å; L105-L144 HydrophobicContact CD1-CG 4.36Å; L105-L144 HydrophobicContact CD2-CD2 3.6Å; L105-L144 HydrophobicContact CG-CD2 4.21Å; L105-L148 HydrophobicContact CD2-CD2 4.26Å; L105-M152 HydrophobicContact CD2-SD 4.08Å
106S93.2Very high94.9Very high73 Ų7357.1 Ų57.151%0.5130%0.304SS..Hα-helixtrans-59-42.5178.354.10000112.3S104 I108 L109 S110S104-S106 PolarHBondContact O-N 3.47Å; S104-S106 PolarHBondContact OG-OG 3.45Å; S106-I108 VanDerWaalsContact C-N 3.35Å; S106-I108 PolarHBondContact O-N 3.39Å; S106-L109 PolarHBondContact O-N 3.44Å; S106-S110 VanDerWaalsContact O-CB 3.28Å; S106-S110 WeakPolarHBondContact O-CB 3.11Å; S106-S110 PolarHBondContact O-N 3.08Å; S106-S110 PolarHBondContact O-OG 3.33Å; S106-S110 VanDerWaalsContact O-OG 3.09Å
107Q95Very high94.9Very high85 Ų8559.4 Ų59.440%0.39732%0.32SS..Hα-helixtrans-62.9-42.4176.1-77168.7-11.400111.6K103 S104 L105 L109 S110 D111K103-Q107 HydrophobicContact CB-CB 4.46Å; S104-Q107 VanDerWaalsContact N-OE1 3.12Å; S104-Q107 PolarHBondContact O-N 3.09Å; S104-Q107 WeakPolarHBondContact OG-CB 3.2Å; S104-Q107 VanDerWaalsContact OG-CD 3.26Å; S104-Q107 WeakPolarHBondContact OG-CG 3.39Å; S104-Q107 PolarHBondContact OG-N 2.97Å; S104-Q107 PolarHBondContact OG-OE1 3.47Å; L105-Q107 VanDerWaalsContact C-N 3.33Å; L105-Q107 PolarHBondContact O-N 3.11Å; Q107-L109 VanDerWaalsContact C-N 3.33Å; Q107-L109 PolarHBondContact O-N 3.2Å; Q107-S110 PolarHBondContact O-N 3.44Å; Q107-D111 PolarHBondContact O-N 3.44Å
108I94.5Very high95Very high0 Ų057.4 Ų57.40%032%0.321CS..Hα-helixtrans-64.5-38.6179.9-62.3169.6000111.6T55 I61 L100 K103 S104 L105 S106 R112 I115 V142T55-I108 HydrophobicContact CG2-CD1 3.64Å; I61-I108 HydrophobicContact CD1-CD1 3.61Å; I61-I108 HydrophobicContact CD1-CG2 4.34Å; L100-I108 HydrophobicContact CB-CD1 4.29Å; L100-I108 HydrophobicContact CD2-CD1 4.07Å; L100-I108 HydrophobicContact CD2-CG1 4.03Å; L100-I108 HydrophobicContact CD2-CG2 4.39Å; K103-I108 HydrophobicContact CB-CD1 4.07Å; K103-I108 HydrophobicContact CB-CG1 3.76Å; S104-I108 WeakPolarHBondContact O-CG1 3.35Å; S104-I108 PolarHBondContact O-N 3.19Å; S104-I108 VanDerWaalsContact O-N 3.13Å; L105-I108 PolarHBondContact O-N 3.39Å; S106-I108 VanDerWaalsContact C-N 3.35Å; S106-I108 PolarHBondContact O-N 3.39Å; I108-R112 VanDerWaalsContact O-CG 3.31Å; I108-R112 WeakPolarHBondContact O-CG 3.31Å; I108-I115 HydrophobicContact CB-CD1 4.19Å; I108-I115 HydrophobicContact CG1-CD1 3.91Å; I108-V142 HydrophobicContact CG2-CG1 4.09Å; I108-V142 HydrophobicContact CG2-CG2 4.01Å
109L90.6Very high95Very high57 Ų5752.3 Ų52.330%0.29829%0.293SS..Hα-helixtrans-77.4-36.6179-65.3179.3000112.9L105 S106 Q107 V142 M152L105-L109 HydrophobicContact CD1-CD1 4.08Å; L105-L109 HydrophobicContact CD1-CG 4.15Å; L105-L109 HydrophobicContact CG-CD1 4.06Å; L105-L109 HydrophobicContact CG-CG 4.46Å; L105-L109 WeakPolarHBondContact O-CG 3.15Å; L105-L109 PolarHBondContact O-N 3.41Å; S106-L109 PolarHBondContact O-N 3.44Å; Q107-L109 VanDerWaalsContact C-N 3.33Å; Q107-L109 PolarHBondContact O-N 3.2Å; L109-V142 HydrophobicContact CD2-CB 4.35Å; L109-V142 HydrophobicContact CD2-CG1 4.02Å; L109-M152 HydrophobicContact CD1-CE 4.03Å
110S92.5Very high95.1Very high108 Ų10855.4 Ų55.476%0.75530%0.304SS*.Hα-helixtrans-85.7-32.2-175-62.50000114.3S106 Q107S106-S110 VanDerWaalsContact O-CB 3.28Å; S106-S110 WeakPolarHBondContact O-CB 3.11Å; S106-S110 PolarHBondContact O-N 3.08Å; S106-S110 PolarHBondContact O-OG 3.33Å; S106-S110 VanDerWaalsContact O-OG 3.09Å; Q107-S110 PolarHBondContact O-N 3.44Å
111D93.1Very high95.2Very high83 Ų8358.8 Ų58.844%0.44432%0.322SS..  trans-133.163.2-170.1-164.90.6000112.6Q107 E113 A114 I115Q107-D111 PolarHBondContact O-N 3.44Å; D111-E113 VanDerWaalsContact C-N 3.29Å; D111-E113 PolarHBondContact O-N 2.9Å; D111-A114 WeakPolarHBondContact OD1-CB 3.46Å; D111-A114 PolarHBondContact OD1-N 2.82Å; D111-A114 VanDerWaalsContact OD1-N 3.08Å; D111-A114 WeakPolarHBondContact OD2-CB 3.48Å; D111-I115 WeakPolarHBondContact O-CD1 3.3Å; D111-I115 VanDerWaalsContact O-CG1 3.32Å; D111-I115 WeakPolarHBondContact O-CG1 3.36Å; D111-I115 PolarHBondContact O-N 2.77Å
112R93.7Very high95.3Very high100 Ų10061.3 Ų61.338%0.37733%0.33SS..Hα-helixtrans-63.8-34.7178.4-66.5-177.2-175.9-175.5-1.1112.5I108 I115 A116 I139I108-R112 VanDerWaalsContact O-CG 3.31Å; I108-R112 WeakPolarHBondContact O-CG 3.31Å; R112-I115 PolarHBondContact O-N 3.18Å; R112-A116 VanDerWaalsContact O-CB 3.31Å; R112-A116 WeakPolarHBondContact O-CB 3.14Å; R112-A116 PolarHBondContact O-N 3.26Å; R112-I139 HydrophobicContact CB-CD1 4.23Å
113E94.6Very high95.4Very high149 Ų14954.5 Ų54.570%0.69630%0.297SS*.Hα-helixtrans-69.7-43.7-177-17258.8-151.500111.7D111 I115 A116 S117D111-E113 VanDerWaalsContact C-N 3.29Å; D111-E113 PolarHBondContact O-N 2.9Å; E113-I115 VanDerWaalsContact C-N 3.29Å; E113-I115 PolarHBondContact O-N 3.41Å; E113-A116 PolarHBondContact O-N 2.91Å; E113-S117 WeakPolarHBondContact O-CB 3.48Å; E113-S117 PolarHBondContact O-N 3.22Å
114A95.6Very high95.4Very high47 Ų4753.1 Ų53.139%0.38829%0.292SS..Hα-helixtrans-64.9-36176.300000112.2D111 C118D111-A114 WeakPolarHBondContact OD1-CB 3.46Å; D111-A114 PolarHBondContact OD1-N 2.82Å; D111-A114 VanDerWaalsContact OD1-N 3.08Å; D111-A114 WeakPolarHBondContact OD2-CB 3.48Å; A114-C118 VanDerWaalsContact O-CB 3.26Å; A114-C118 WeakPolarHBondContact O-CB 3.31Å; A114-C118 PolarHBondContact O-N 3.37Å
115I96Very high95.5Very high7 Ų757.7 Ų57.74%0.03632%0.316CS..Hα-helixtrans-66-47.3175.8-67.8172.7000110.5L99 L100 I108 D111 R112 E113 S117 C118 M119 I139L99-I115 HydrophobicContact CD2-CB 4.49Å; L99-I115 HydrophobicContact CD2-CG2 3.55Å; L100-I115 HydrophobicContact CD2-CD1 4.38Å; L100-I115 HydrophobicContact CD2-CG2 3.57Å; I108-I115 HydrophobicContact CB-CD1 4.19Å; I108-I115 HydrophobicContact CG1-CD1 3.91Å; D111-I115 WeakPolarHBondContact O-CD1 3.3Å; D111-I115 VanDerWaalsContact O-CG1 3.32Å; D111-I115 WeakPolarHBondContact O-CG1 3.36Å; D111-I115 PolarHBondContact O-N 2.77Å; R112-I115 PolarHBondContact O-N 3.18Å; E113-I115 VanDerWaalsContact C-N 3.29Å; E113-I115 PolarHBondContact O-N 3.41Å; I115-S117 VanDerWaalsContact C-N 3.35Å; I115-S117 PolarHBondContact O-N 3.1Å; I115-C118 PolarHBondContact O-N 3.48Å; I115-M119 WeakPolarHBondContact O-CB 3.31Å; I115-M119 PolarHBondContact O-N 3.45Å; I115-I139 HydrophobicContact CB-CD1 3.97Å; I115-I139 HydrophobicContact CG2-CD1 3.58Å
116A96.2Very high95.6Very high6 Ų658.9 Ų58.95%0.0533%0.327CS..Hα-helixtrans-59.7-44.2176.900000111.9R112 E113 M119 R120 V137R112-A116 VanDerWaalsContact O-CB 3.31Å; R112-A116 WeakPolarHBondContact O-CB 3.14Å; R112-A116 PolarHBondContact O-N 3.26Å; E113-A116 PolarHBondContact O-N 2.91Å; A116-M119 PolarHBondContact O-N 2.98Å; A116-R120 WeakPolarHBondContact O-CB 3.32Å; A116-R120 PolarHBondContact O-N 3.5Å; A116-V137 WeakPolarHBondContact CB-O 3.41Å
117S96.8Very high95.7Very high48 Ų4855.4 Ų55.434%0.33630%0.303SS..Hα-helixtrans-64.4-43.7176.7-175.80000112.6E113 I115 M119 R120 N121E113-S117 WeakPolarHBondContact O-CB 3.48Å; E113-S117 PolarHBondContact O-N 3.22Å; I115-S117 VanDerWaalsContact C-N 3.35Å; I115-S117 PolarHBondContact O-N 3.1Å; S117-M119 VanDerWaalsContact C-N 3.34Å; S117-M119 PolarHBondContact O-N 3.03Å; S117-R120 WeakPolarHBondContact O-CB 3.43Å; S117-R120 PolarHBondContact O-N 2.84Å; S117-N121 PolarHBondContact O-N 2.86Å; S117-N121 VanDerWaalsContact O-N 3.08Å
118C96.7Very high95.8Very high59 Ų5956.8 Ų56.840%0.39931%0.31SS..Hα-helixtrans-61.9-43.3175.5-177.80000111.6L99 A114 I115 N121 L122L99-C118 HydrophobicContact CD1-CB 4.13Å; A114-C118 VanDerWaalsContact O-CB 3.26Å; A114-C118 WeakPolarHBondContact O-CB 3.31Å; A114-C118 PolarHBondContact O-N 3.37Å; I115-C118 PolarHBondContact O-N 3.48Å; C118-N121 PolarHBondContact O-N 3.27Å; C118-L122 PolarHBondContact O-N 3Å; C118-L122 VanDerWaalsContact O-N 3.1Å
119M96.9Very high95.9Very high0 Ų064.1 Ų64.10%034%0.341CS..Hα-helixtrans-65.7-39.7176.4-175.1173.7151.500112.1I67 T92 L96 L99 I115 A116 S117 L122 L123 V137I67-M119 HydrophobicContact CD1-CE 3.55Å; T92-M119 HydrophobicContact CG2-CE 3.54Å; L96-M119 HydrophobicContact CB-CE 4.12Å; L96-M119 HydrophobicContact CB-SD 4.22Å; L96-M119 HydrophobicContact CD1-CE 4.1Å; L96-M119 HydrophobicContact CD1-SD 3.54Å; L96-M119 VanDerWaalsContact CD1-SD 3.54Å; L96-M119 HydrophobicContact CG-SD 4.48Å; L99-M119 HydrophobicContact CD1-CB 3.93Å; I115-M119 WeakPolarHBondContact O-CB 3.31Å; I115-M119 PolarHBondContact O-N 3.45Å; A116-M119 PolarHBondContact O-N 2.98Å; S117-M119 VanDerWaalsContact C-N 3.34Å; S117-M119 PolarHBondContact O-N 3.03Å; M119-L122 PolarHBondContact O-N 2.74Å; M119-L123 HydrophobicContact CE-CD1 3.69Å; M119-L123 HydrophobicContact CG-CD1 3.93Å; M119-L123 HydrophobicContact CG-CG 4.36Å; M119-L123 WeakPolarHBondContact O-CB 3.46Å; M119-L123 VanDerWaalsContact O-CG 3.31Å; M119-L123 WeakPolarHBondContact O-CG 3.46Å; M119-L123 PolarHBondContact O-N 3.43Å; M119-V137 HydrophobicContact CB-CG1 4.3Å; M119-V137 HydrophobicContact CE-CG1 3.75Å; M119-V137 HydrophobicContact CG-CG1 4.11Å; M119-V137 HydrophobicContact SD-CG1 3.73Å
120R97.7Very high96.2Very high79 Ų7963.8 Ų63.830%0.29834%0.336SS..Hα-helixtrans-56.8-51.9174.7-175.3-172.663.675.16.5110.7A116 S117 L122 L123 D124 V134 E135 V137A116-R120 WeakPolarHBondContact O-CB 3.32Å; A116-R120 PolarHBondContact O-N 3.5Å; S117-R120 WeakPolarHBondContact O-CB 3.43Å; S117-R120 PolarHBondContact O-N 2.84Å; R120-L122 PolarHBondContact O-N 3.2Å; R120-L123 PolarHBondContact O-N 3Å; R120-D124 VanDerWaalsContact O-CB 3.32Å; R120-D124 WeakPolarHBondContact O-CB 3.45Å; R120-D124 PolarHBondContact O-N 3.18Å; R120-V134 HydrophobicContact CG-CG1 4.2Å; R120-E135 WeakPolarHBondContact CD-O 3.5Å; R120-V137 HydrophobicContact CB-CB 4.41Å; R120-V137 HydrophobicContact CB-CG2 3.88Å; R120-V137 HydrophobicContact CG-CG2 4.42Å
121N97.5Very high96.4Very high71 Ų7158.7 Ų58.738%0.3830%0.3SS..Hα-helixtrans-59.6-46.7179.7-66.1-20.9000111.7S117 C118 L123 D124 D125S117-N121 PolarHBondContact O-N 2.86Å; S117-N121 VanDerWaalsContact O-N 3.08Å; C118-N121 PolarHBondContact O-N 3.27Å; N121-L123 VanDerWaalsContact C-N 3.32Å; N121-L123 PolarHBondContact O-N 2.94Å; N121-D124 PolarHBondContact O-N 3.47Å; N121-D125 WeakPolarHBondContact O-CB 3.39Å; N121-D125 VanDerWaalsContact O-CG 3.24Å; N121-D125 PolarHBondContact O-N 3.46Å
122L97.2Very high96.6Very high76 Ų7654.7 Ų54.740%0.39828%0.279SS..Hα-helixtrans-59.6-43.5179-177.7158.9000111.9A95 C118 M119 R120 A126A95-L122 HydrophobicContact CB-CD2 3.61Å; C118-L122 PolarHBondContact O-N 3Å; C118-L122 VanDerWaalsContact O-N 3.1Å; M119-L122 PolarHBondContact O-N 2.74Å; R120-L122 PolarHBondContact O-N 3.2Å; L122-A126 VanDerWaalsContact O-CB 3.29Å; L122-A126 WeakPolarHBondContact O-CB 3.1Å; L122-A126 PolarHBondContact O-N 2.93Å
123L97.7Very high96.8Very high1 Ų152.4 Ų52.41%0.00527%0.274CS..Hα-helixtrans-72.2-38.5179.1-68.5174.4000112.4I67 L91 T92 A95 M119 R120 N121 A126 T127 V134 V137I67-L123 HydrophobicContact CD1-CD1 4.14Å; L91-L123 HydrophobicContact CD2-CD2 4.2Å; L91-L123 HydrophobicContact CG-CD2 3.95Å; T92-L123 HydrophobicContact CG2-CD1 4.09Å; A95-L123 HydrophobicContact CB-CD2 3.74Å; A95-L123 HydrophobicContact CB-CG 4.44Å; M119-L123 HydrophobicContact CE-CD1 3.69Å; M119-L123 HydrophobicContact CG-CD1 3.93Å; M119-L123 HydrophobicContact CG-CG 4.36Å; M119-L123 WeakPolarHBondContact O-CB 3.46Å; M119-L123 VanDerWaalsContact O-CG 3.31Å; M119-L123 WeakPolarHBondContact O-CG 3.46Å; M119-L123 PolarHBondContact O-N 3.43Å; R120-L123 PolarHBondContact O-N 3Å; N121-L123 VanDerWaalsContact C-N 3.32Å; N121-L123 PolarHBondContact O-N 2.94Å; L123-A126 PolarHBondContact O-N 3.49Å; L123-T127 VanDerWaalsContact O-CB 3.27Å; L123-T127 WeakPolarHBondContact O-CB 3.31Å; L123-T127 WeakPolarHBondContact O-CG2 3.25Å; L123-T127 PolarHBondContact O-N 3.19Å; L123-T127 PolarHBondContact O-OG1 3.08Å; L123-V134 HydrophobicContact CB-CB 4.48Å; L123-V134 HydrophobicContact CB-CG1 4.44Å; L123-V134 HydrophobicContact CB-CG2 3.92Å; L123-V137 HydrophobicContact CD1-CG2 4.28Å
124D97.6Very high97Very high41 Ų4145.4 Ų45.422%0.21924%0.241CC..Hα-helixtrans-60.3-51.9177.3-158.945.6000110.3R120 N121 A126 T127 E128 I133 V134R120-D124 VanDerWaalsContact O-CB 3.32Å; R120-D124 WeakPolarHBondContact O-CB 3.45Å; R120-D124 PolarHBondContact O-N 3.18Å; N121-D124 PolarHBondContact O-N 3.47Å; D124-A126 VanDerWaalsContact C-N 3.29Å; D124-A126 PolarHBondContact O-N 2.87Å; D124-T127 PolarHBondContact O-N 3.13Å; D124-T127 PolarHBondContact O-OG1 2.92Å; D124-E128 PolarHBondContact O-N 2.99Å; D124-I133 WeakPolarHBondContact OD1-CA 3.49Å; D124-V134 HydrophobicContact CB-CB 4.29Å; D124-V134 PolarHBondContact OD1-N 2.92Å
125D97.5Very high97.1Very high109 Ų10946.6 Ų46.658%0.58324%0.239SC*.Hα-helixtrans-58.2-40.2177.5-67.3-15.2000112.5N121N121-D125 WeakPolarHBondContact O-CB 3.39Å; N121-D125 VanDerWaalsContact O-CG 3.24Å; N121-D125 PolarHBondContact O-N 3.46Å
126A96.2Very high97.1Very high37 Ų3751.9 Ų51.931%0.30626%0.259SS..Hα-helixtrans-76.2-34-178.400000112.9L91 L122 L123 D124L91-A126 HydrophobicContact CD2-CB 3.7Å; L122-A126 VanDerWaalsContact O-CB 3.29Å; L122-A126 WeakPolarHBondContact O-CB 3.1Å; L122-A126 PolarHBondContact O-N 2.93Å; L123-A126 PolarHBondContact O-N 3.49Å; D124-A126 VanDerWaalsContact C-N 3.29Å; D124-A126 PolarHBondContact O-N 2.87Å
127T97Very high97.2Very high0 Ų052 Ų520%026%0.258CS..Hα-helixtrans-89.7-11.3-177.361.40000113.7T88 L91 L123 D124 K129 W130 I132T88-T127 HydrophobicContact CG2-CG2 4.18Å; L91-T127 HydrophobicContact CD2-CG2 3.65Å; L123-T127 VanDerWaalsContact O-CB 3.27Å; L123-T127 WeakPolarHBondContact O-CB 3.31Å; L123-T127 WeakPolarHBondContact O-CG2 3.25Å; L123-T127 PolarHBondContact O-N 3.19Å; L123-T127 PolarHBondContact O-OG1 3.08Å; D124-T127 PolarHBondContact O-N 3.13Å; D124-T127 PolarHBondContact O-OG1 2.92Å; T127-K129 PolarHBondContact O-N 3.42Å; T127-K129 VanDerWaalsContact O-N 3.15Å; T127-W130 HydrophobicContact CG2-CE3 3.87Å; T127-W130 HydrophobicContact CG2-CZ3 3.86Å; T127-W130 WeakPolarHBondContact O-CA 3.4Å; T127-W130 WeakPolarHBondContact O-CB 3.17Å; T127-W130 PolarHBondContact O-N 3.32Å; T127-I132 PolarHBondContact O-N 3.08Å
128E96.6Very high97.2Very high115 Ų11553.5 Ų53.554%0.53726%0.26SS..G310 helixtrans-52.4-39.3176.2-172.3-175.5-167.900112.1Y72 D124 W130 G131Y72-E128 PolarHBondContact OH-O 3.49Å; D124-E128 PolarHBondContact O-N 2.99Å; E128-W130 PolarHBondContact O-N 3.02Å; E128-W130 VanDerWaalsContact O-N 3.13Å; E128-G131 PolarHBondContact O-N 2.9Å
129K95.8Very high97.2Very high153 Ų15351.7 Ų51.767%0.66525%0.246SC*.G310 helixtrans-62.7-18.9178.1-61.3179.7-174.1176.40113.7V76 N80 T127V76-K129 WeakPolarHBondContact CG1-O 3.36Å; N80-K129 WeakPolarHBondContact CB-O 3.02Å; N80-K129 PolarHBondContact ND2-O 3.19Å; T127-K129 PolarHBondContact O-N 3.42Å; T127-K129 VanDerWaalsContact O-N 3.15Å
130W97.2Very high97.1Very high51 Ų5157.5 Ų57.519%0.19327%0.272CS..G310 helixtrans-100.28.3176.2-54.5-27.3000112.3S77 V81 A87 L91 T127 E128 I132S77-W130 WeakPolarHBondContact CA-O 3.5Å; S77-W130 VanDerWaalsContact CB-O 3.28Å; S77-W130 WeakPolarHBondContact CB-O 3.33Å; S77-W130 PolarHBondContact N-O 3.38Å; V81-W130 HydrophobicContact CB-CG 4.11Å; V81-W130 HydrophobicContact CG1-CB 3.95Å; V81-W130 HydrophobicContact CG1-CG 3.89Å; A87-W130 HydrophobicContact CB-CE3 4.29Å; A87-W130 HydrophobicContact CB-CH2 3.68Å; A87-W130 HydrophobicContact CB-CZ2 4.02Å; A87-W130 HydrophobicContact CB-CZ3 3.83Å; L91-W130 HydrophobicContact CB-CH2 4.14Å; L91-W130 HydrophobicContact CB-CZ3 4.34Å; L91-W130 HydrophobicContact CD2-CH2 3.83Å; L91-W130 HydrophobicContact CD2-CZ3 3.8Å; T127-W130 HydrophobicContact CG2-CE3 3.87Å; T127-W130 HydrophobicContact CG2-CZ3 3.86Å; T127-W130 WeakPolarHBondContact O-CA 3.4Å; T127-W130 WeakPolarHBondContact O-CB 3.17Å; T127-W130 PolarHBondContact O-N 3.32Å; E128-W130 PolarHBondContact O-N 3.02Å; E128-W130 VanDerWaalsContact O-N 3.13Å; W130-I132 HydrophobicContact CB-CD1 4.37Å; W130-I132 PolarHBondContact O-N 3.09Å
131G96.5Very high96.9Very high0 Ų057.1 Ų57.10%028%0.276CS..THydrogen-bonded Turntrans69.824.8-179.500000112.8I71 Y72 N73 E128I71-G131 CarbonylContact C-O 3.59Å; I71-G131 WeakPolarHBondContact CA-O 3.45Å; Y72-G131 WeakPolarHBondContact CD1-O 3.42Å; Y72-G131 PolarHBondContact N-O 3.02Å; N73-G131 PolarHBondContact N-O 2.67Å; N73-G131 VanDerWaalsContact N-O 3.17Å; E128-G131 PolarHBondContact O-N 2.9Å
132I98.1Very high96.8Very high0 Ų054.1 Ų54.10%026%0.26CS..EExtended strand (participates in β ladder)trans-107.5144178.9-72.4171.8000109.7Y69 R70 I71 A84 T88 T127 W130 V134Y69-I132 HydrophobicContact CD2-CD1 4.21Å; Y69-I132 HydrophobicContact CD2-CG1 4.33Å; Y69-I132 HydrophobicContact CD2-CG2 3.6Å; Y69-I132 HydrophobicContact CE2-CD1 4.04Å; Y69-I132 HydrophobicContact CE2-CG2 4.47Å; Y69-I132 HydrophobicContact CG-CG2 4.19Å; R70-I132 WeakPolarHBondContact O-CA 3.47Å; I71-I132 HydrophobicContact CG1-CG1 4Å; A84-I132 HydrophobicContact CB-CD1 3.8Å; T88-I132 VanDerWaalsContact OG1-CD1 3.24Å; T88-I132 WeakPolarHBondContact OG1-CD1 3.44Å; T127-I132 PolarHBondContact O-N 3.08Å; W130-I132 HydrophobicContact CB-CD1 4.37Å; W130-I132 PolarHBondContact O-N 3.09Å; I132-V134 HydrophobicContact CG2-CG2 4.46Å
133I98Very high96.7Very high51 Ų5156.2 Ų56.226%0.26226%0.262SS..EExtended strand (participates in β ladder)trans-117.5130.5167-70.8166.1000108.3Y69 R70 Y72 D124 E135Y69-I133 VanDerWaalsContact CA-O 3.26Å; Y69-I133 WeakPolarHBondContact CA-O 3.38Å; Y69-I133 VanDerWaalsContact CB-O 3.31Å; Y69-I133 WeakPolarHBondContact CB-O 3.38Å; R70-I133 PolarHBondContact N-O 3.39Å; R70-I133 PolarHBondContact O-N 2.92Å; Y72-I133 HydrophobicContact CD1-CD1 3.8Å; Y72-I133 HydrophobicContact CD1-CG1 3.56Å; Y72-I133 HydrophobicContact CE1-CG1 4.21Å; Y72-I133 HydrophobicContact CG-CD1 3.75Å; Y72-I133 HydrophobicContact CG-CG1 4.06Å; D124-I133 WeakPolarHBondContact OD1-CA 3.49Å; I133-E135 HydrophobicContact CG2-CG 4.44Å
134V98.2Very high96.4Very high2 Ų257.3 Ų57.31%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-92.4107.8175-176.80000109.3I67 R120 L123 D124 I132 V137I67-V134 HydrophobicContact CG2-CG1 3.9Å; R120-V134 HydrophobicContact CG-CG1 4.2Å; L123-V134 HydrophobicContact CB-CB 4.48Å; L123-V134 HydrophobicContact CB-CG1 4.44Å; L123-V134 HydrophobicContact CB-CG2 3.92Å; D124-V134 HydrophobicContact CB-CB 4.29Å; D124-V134 PolarHBondContact OD1-N 2.92Å; I132-V134 HydrophobicContact CG2-CG2 4.46Å; V134-V137 HydrophobicContact CG1-CG2 3.98Å
135E97.2Very high96.2Very high73 Ų7358.2 Ų58.234%0.34128%0.276SS..EExtended strand (participates in β ladder)trans-80.3-40.3-173.6-60.5-172145.100111.9T43 Y68 R70 R120 I133T43-E135 WeakPolarHBondContact CB-OE2 3.42Å; T43-E135 WeakPolarHBondContact CG2-OE2 3.42Å; T43-E135 PolarHBondContact OG1-OE1 2.97Å; T43-E135 PolarHBondContact OG1-OE2 2.95Å; Y68-E135 PolarHBondContact O-N 2.85Å; R70-E135 WeakPolarHBondContact CD-OE1 3.28Å; R70-E135 HydrophobicContact CG-CG 4.49Å; R70-E135 IonicContact CZ-OE1 2.76Å; R70-E135 IonicContact NE-OE1 3.26Å; R70-E135 PolarHBondContact NE-OE1 3.34Å; R120-E135 WeakPolarHBondContact CD-O 3.5Å; I133-E135 HydrophobicContact CG2-CG 4.44Å
136R97.2Very high95.9Very high118 Ų11857.1 Ų57.145%0.44527%0.273SS..EExtended strand (participates in β ladder)trans-156.1146.5-177.8-168.7164.963.6-111.3-1.2112.1Y68 E138Y68-R136 HydrophobicContact CD2-CB 4Å; Y68-R136 HydrophobicContact CD2-CG 4.43Å; Y68-R136 HydrophobicContact CG-CB 4.39Å; Y68-R136 PolarHBondContact N-O 3.18Å; Y68-R136 PolarHBondContact O-N 3.34Å; R136-E138 WeakPolarHBondContact CD-OE1 3.44Å; R136-E138 HydrophobicContact CG-CG 4.18Å; R136-E138 IonicContact CZ-OE1 3.56Å; R136-E138 IonicContact NE-OE1 2.72Å; R136-E138 PolarHBondContact NE-OE1 2.84Å; R136-E138 IonicContact NH2-OE1 3.57Å
137V98.1Very high95.7Very high8 Ų863.2 Ų63.25%0.04830%0.295CS..EExtended strand (participates in β ladder)trans-124.2133.1171.51760000107I67 A116 M119 R120 L123 V134I67-V137 HydrophobicContact CD1-CB 4.18Å; I67-V137 HydrophobicContact CD1-CG1 3.77Å; I67-V137 HydrophobicContact CD1-CG2 3.76Å; A116-V137 WeakPolarHBondContact CB-O 3.41Å; M119-V137 HydrophobicContact CB-CG1 4.3Å; M119-V137 HydrophobicContact CE-CG1 3.75Å; M119-V137 HydrophobicContact CG-CG1 4.11Å; M119-V137 HydrophobicContact SD-CG1 3.73Å; R120-V137 HydrophobicContact CB-CB 4.41Å; R120-V137 HydrophobicContact CB-CG2 3.88Å; R120-V137 HydrophobicContact CG-CG2 4.42Å; L123-V137 HydrophobicContact CD1-CG2 4.28Å; V134-V137 HydrophobicContact CG1-CG2 3.98Å
138E96.7Very high95.5Very high79 Ų7965.9 Ų65.937%0.36931%0.31SS..EExtended strand (participates in β ladder)trans-127.6129176.6-68.7178.6-152.600109.6A65 V66 Y68 R136A65-E138 CarbonylContact C-O 3.38Å; A65-E138 WeakPolarHBondContact CA-O 3.41Å; A65-E138 VanDerWaalsContact CB-O 3.3Å; A65-E138 WeakPolarHBondContact CB-O 3.44Å; V66-E138 PolarHBondContact N-O 2.92Å; V66-E138 PolarHBondContact O-N 2.82Å; Y68-E138 HydrophobicContact CE2-CG 4.4Å; R136-E138 WeakPolarHBondContact CD-OE1 3.44Å; R136-E138 HydrophobicContact CG-CG 4.18Å; R136-E138 IonicContact CZ-OE1 3.56Å; R136-E138 IonicContact NE-OE1 2.72Å; R136-E138 PolarHBondContact NE-OE1 2.84Å; R136-E138 IonicContact NH2-OE1 3.57Å
139I96.2Very high95.2Very high21 Ų2165.2 Ų65.211%0.10831%0.306CS..EExtended strand (participates in β ladder)trans-84.2119.4171.9-59.1171.2000107.2V63 R112 I115 V142V63-I139 HydrophobicContact CG1-CG2 3.93Å; R112-I139 HydrophobicContact CB-CD1 4.23Å; I115-I139 HydrophobicContact CB-CD1 3.97Å; I115-I139 HydrophobicContact CG2-CD1 3.58Å; I139-V142 HydrophobicContact CG2-CG2 3.9Å
140K94.8Very high95.1Very high123 Ų12366.4 Ų66.454%0.53531%0.307SS..EExtended strand (participates in β ladder)trans-87.6-61.8-172175.3-177.8-174.9179.40110.8D47 D64D47-K140 IonicContact OD1-NZ 3.53Å; D64-K140 PolarHBondContact O-N 3.39Å; D64-K140 VanDerWaalsContact OD1-CB 3.25Å; D64-K140 WeakPolarHBondContact OD1-CB 3.41Å
141D94Very high94.9Very high71 Ų7167.4 Ų67.438%0.3832%0.321SS..EExtended strand (participates in β ladder)trans-136.8148.6178-163.713.6000112.4V63 D64 R143V63-D141 WeakPolarHBondContact CA-O 3.23Å; D64-D141 PolarHBondContact N-O 2.94Å; D64-D141 WeakPolarHBondContact OD1-CA 3.27Å; D64-D141 WeakPolarHBondContact OD1-CB 3.4Å; D64-D141 PolarHBondContact OD1-N 3.4Å; D141-R143 WeakPolarHBondContact OD2-CG 3.16Å
142V94.8Very high94.7Very high8 Ų870.7 Ų70.75%0.04834%0.338CS..EExtended strand (participates in β ladder)trans-126.799.2175.8178.70000107.1I61 V63 I108 L109 I139I61-V142 HydrophobicContact CD1-CG1 4.18Å; V63-V142 HydrophobicContact CG1-CG2 4.2Å; V63-V142 HydrophobicContact CG2-CB 4.37Å; V63-V142 HydrophobicContact CG2-CG1 4.06Å; V63-V142 HydrophobicContact CG2-CG2 4.07Å; I108-V142 HydrophobicContact CG2-CG1 4.09Å; I108-V142 HydrophobicContact CG2-CG2 4.01Å; L109-V142 HydrophobicContact CD2-CB 4.35Å; L109-V142 HydrophobicContact CD2-CG1 4.02Å; I139-V142 HydrophobicContact CG2-CG2 3.9Å
143R94.4Very high94.3Very high119 Ų11973.4 Ų73.445%0.44936%0.36SS..EExtended strand (participates in β ladder)trans-96.5132.1-177.3-57.9179.4-61.6179.44110.2I61 S62 D141I61-R143 WeakPolarHBondContact CA-O 3.09Å; S62-R143 PolarHBondContact N-O 2.87Å; S62-R143 PolarHBondContact O-N 3.13Å; S62-R143 PolarHBondContact OG-NH2 3.49Å; S62-R143 VanDerWaalsContact OG-NH2 3.08Å; D141-R143 WeakPolarHBondContact OD2-CG 3.16Å
144L93.2Very high94.2Very high24 Ų2475.2 Ų75.213%0.12637%0.373CS..  trans-108.1158.1175.8-5591.9000109.5I61 L105 V146 L148 Q149 M152I61-L144 HydrophobicContact CG2-CG 4.24Å; L105-L144 HydrophobicContact CD1-CD2 3.68Å; L105-L144 HydrophobicContact CD1-CG 4.36Å; L105-L144 HydrophobicContact CD2-CD2 3.6Å; L105-L144 HydrophobicContact CG-CD2 4.21Å; L144-V146 PolarHBondContact O-N 3.05Å; L144-L148 HydrophobicContact CD2-CD2 3.72Å; L144-Q149 HydrophobicContact CB-CB 4.41Å; L144-M152 HydrophobicContact CD2-CE 4.19Å
145P91.8Very high94Very high61 Ų6182 Ų8240%0.39641%0.405SS..  trans-54.1131.7167.1-24.433.7000110.6T60 Q147 L148 Q149T60-P145 VanDerWaalsContact O-CD 3.23Å; T60-P145 WeakPolarHBondContact O-CD 3.4Å; P145-Q147 PolarHBondContact O-N 3.24Å; P145-Q147 VanDerWaalsContact O-N 3.11Å; P145-L148 HydrophobicContact CB-CB 4.44Å; P145-L148 PolarHBondContact O-N 3.34Å; P145-Q149 PolarHBondContact O-N 2.84Å
146V92Very high93.7Very high86 Ų8681.3 Ų81.352%0.52141%0.412SS..Hα-helixtrans-55-36.1-174.5177.50000112.4L144 R150L144-V146 PolarHBondContact O-N 3.05Å; V146-R150 WeakPolarHBondContact O-CG 3.34Å; V146-R150 PolarHBondContact O-N 2.81Å; V146-R150 VanDerWaalsContact O-N 3.11Å
147Q92.7Very high93.6Very high164 Ų16481.5 Ų81.577%0.76642%0.418SS*.Hα-helixtrans-64.1-50.2178-67.9178.4-14.100111.6P145 R150 S151P145-Q147 PolarHBondContact O-N 3.24Å; P145-Q147 VanDerWaalsContact O-N 3.11Å; Q147-R150 PolarHBondContact O-N 3.11Å; Q147-S151 PolarHBondContact O-N 2.95Å; Q147-S151 PolarHBondContact O-OG 3.3Å
148L91.1Very high93.5Very high57 Ų5783.8 Ų83.830%0.29844%0.438SS..Hα-helixtrans-64.1-43.2178.6-173.3158000111V59 L105 L144 P145 R150 S151 M152V59-L148 HydrophobicContact CG1-CD1 3.59Å; V59-L148 HydrophobicContact CG2-CD1 4.16Å; L105-L148 HydrophobicContact CD2-CD2 4.26Å; L144-L148 HydrophobicContact CD2-CD2 3.72Å; P145-L148 HydrophobicContact CB-CB 4.44Å; P145-L148 PolarHBondContact O-N 3.34Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 3.47Å; L148-S151 PolarHBondContact O-N 2.92Å; L148-M152 HydrophobicContact CD2-CB 4.43Å; L148-M152 VanDerWaalsContact O-CB 3.31Å; L148-M152 WeakPolarHBondContact O-CB 3.31Å; L148-M152 PolarHBondContact O-N 3Å
149Q92.1Very high93.5Very high100 Ų10082.9 Ų82.947%0.46744%0.444SS..Hα-helixtrans-56.5-44.4178-173.5-177.88.500111.7L144 P145 A153L144-Q149 HydrophobicContact CB-CB 4.41Å; P145-Q149 PolarHBondContact O-N 2.84Å; Q149-A153 WeakPolarHBondContact O-CB 3.25Å; Q149-A153 PolarHBondContact O-N 3.33Å
150R93Very high93.5Very high179 Ų17991.6 Ų91.668%0.67548%0.475SS*.Hα-helixtrans-65.5-48.5176.9-72.8176.4-178.8-175.20.8111.6V146 Q147 L148 M152 A153 T154V146-R150 WeakPolarHBondContact O-CG 3.34Å; V146-R150 PolarHBondContact O-N 2.81Å; V146-R150 VanDerWaalsContact O-N 3.11Å; Q147-R150 PolarHBondContact O-N 3.11Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 3.47Å; R150-M152 VanDerWaalsContact C-N 3.33Å; R150-M152 PolarHBondContact O-N 2.62Å; R150-A153 PolarHBondContact O-N 3.33Å; R150-T154 WeakPolarHBondContact O-CG2 3.37Å; R150-T154 PolarHBondContact O-N 3.37Å; R150-T154 PolarHBondContact O-OG1 3.47Å
151S92.5Very high93.7Very high72 Ų7290.7 Ų90.750%0.50347%0.473SS..Hα-helixtrans-58.3-44.7178.4-63.80000112.1Q147 L148 A153 T154 E155Q147-S151 PolarHBondContact O-N 2.95Å; Q147-S151 PolarHBondContact O-OG 3.3Å; L148-S151 PolarHBondContact O-N 2.92Å; S151-A153 PolarHBondContact O-N 2.98Å; S151-T154 WeakPolarHBondContact CA-OG1 3.43Å; S151-T154 PolarHBondContact O-N 2.92Å; S151-T154 PolarHBondContact O-OG1 3.5Å; S151-E155 WeakPolarHBondContact O-CB 3.37Å; S151-E155 PolarHBondContact O-N 3.39Å
152M91.6Very high93.8Very high69 Ų6989.8 Ų89.834%0.3448%0.475SS..Hα-helixtrans-64.9-39.8177.4-173.417968.600111.9L105 L109 L144 L148 R150 E155 A156L105-M152 HydrophobicContact CD2-SD 4.08Å; L109-M152 HydrophobicContact CD1-CE 4.03Å; L144-M152 HydrophobicContact CD2-CE 4.19Å; L148-M152 HydrophobicContact CD2-CB 4.43Å; L148-M152 VanDerWaalsContact O-CB 3.31Å; L148-M152 WeakPolarHBondContact O-CB 3.31Å; L148-M152 PolarHBondContact O-N 3Å; R150-M152 VanDerWaalsContact C-N 3.33Å; R150-M152 PolarHBondContact O-N 2.62Å; M152-E155 PolarHBondContact O-N 3.2Å; M152-A156 VanDerWaalsContact O-CB 3.25Å; M152-A156 WeakPolarHBondContact O-CB 3.4Å; M152-A156 PolarHBondContact O-N 3.02Å
153A91.2Very high94Very high56 Ų5697.9 Ų97.946%0.46351%0.505SS..Hα-helixtrans-63.3-45.2175.500000111.6Q149 R150 S151 E155 A156 E157Q149-A153 WeakPolarHBondContact O-CB 3.25Å; Q149-A153 PolarHBondContact O-N 3.33Å; R150-A153 PolarHBondContact O-N 3.33Å; S151-A153 PolarHBondContact O-N 2.98Å; A153-E155 PolarHBondContact O-N 3.44Å; A153-A156 PolarHBondContact O-N 2.93Å; A153-E157 WeakPolarHBondContact O-CB 3.34Å; A153-E157 PolarHBondContact O-N 3.5Å
154T94.6Very high94.1Very high89 Ų8995 Ų9555%0.54651%0.506SS..Hα-helixtrans-64.9-39.1177.652.30000112.5R150 S151 A158R150-T154 WeakPolarHBondContact O-CG2 3.37Å; R150-T154 PolarHBondContact O-N 3.37Å; R150-T154 PolarHBondContact O-OG1 3.47Å; S151-T154 WeakPolarHBondContact CA-OG1 3.43Å; S151-T154 PolarHBondContact O-N 2.92Å; S151-T154 PolarHBondContact O-OG1 3.5Å; T154-A158 WeakPolarHBondContact O-CB 3.27Å; T154-A158 PolarHBondContact O-N 2.95Å
155E94.3Very high94.3Very high144 Ų144100.9 Ų100.967%0.67353%0.531SS*.Hα-helixtrans-67.5-42.4177-173.9179176.800111.4S151 M152 A153 A158 A159S151-E155 WeakPolarHBondContact O-CB 3.37Å; S151-E155 PolarHBondContact O-N 3.39Å; M152-E155 PolarHBondContact O-N 3.2Å; A153-E155 PolarHBondContact O-N 3.44Å; E155-A158 PolarHBondContact O-N 3.06Å; E155-A159 WeakPolarHBondContact O-CB 3.34Å; E155-A159 PolarHBondContact O-N 2.95Å
156A92.3Very high94.6Very high59 Ų59104 Ų10449%0.48854%0.544SS..Hα-helixtrans-65-39.3177.300000112.4M152 A153 R160M152-A156 VanDerWaalsContact O-CB 3.25Å; M152-A156 WeakPolarHBondContact O-CB 3.4Å; M152-A156 PolarHBondContact O-N 3.02Å; A153-A156 PolarHBondContact O-N 2.93Å; A156-R160 VanDerWaalsContact O-CB 3.27Å; A156-R160 WeakPolarHBondContact O-CB 3.34Å; A156-R160 PolarHBondContact O-N 3.41Å
157E94.6Very high94.9Very high122 Ų122105.4 Ų105.457%0.5755%0.547SS*.Hα-helixtrans-63.6-49.9175.3-174.5167.2-150.600111.1A153 A159 R160 E161A153-E157 WeakPolarHBondContact O-CB 3.34Å; A153-E157 PolarHBondContact O-N 3.5Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.5Å; E157-R160 PolarHBondContact O-N 3.11Å; E157-R160 VanDerWaalsContact O-N 3.12Å; E157-E161 WeakPolarHBondContact O-CG 3.48Å; E157-E161 PolarHBondContact O-N 3.46Å
158A96.3Very high95.1Very high57 Ų57100.7 Ų100.747%0.47154%0.536SS..Hα-helixtrans-59.1-42.7176.500000112.4T154 E155 R160 E161 A162T154-A158 WeakPolarHBondContact O-CB 3.27Å; T154-A158 PolarHBondContact O-N 2.95Å; E155-A158 PolarHBondContact O-N 3.06Å; A158-R160 PolarHBondContact O-N 2.74Å; A158-E161 PolarHBondContact O-N 3.21Å; A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 3.34Å
159A96.1Very high95.4Very high60 Ų60100.6 Ų100.650%0.49654%0.543SS..Hα-helixtrans-65.3-37.4176.300000112.4E155 E157 R163E155-A159 WeakPolarHBondContact O-CB 3.34Å; E155-A159 PolarHBondContact O-N 2.95Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.5Å; A159-R163 WeakPolarHBondContact O-CB 3.35Å; A159-R163 PolarHBondContact O-N 3.2Å
160R96.8Very high95.7Very high203 Ų203100 Ų10077%0.76654%0.541SS*.Hα-helixtrans-68.7-42.6177.4-171.8177.2-177.2174.90.4111.6A156 E157 A158 R163 A164A156-R160 VanDerWaalsContact O-CB 3.27Å; A156-R160 WeakPolarHBondContact O-CB 3.34Å; A156-R160 PolarHBondContact O-N 3.41Å; E157-R160 PolarHBondContact O-N 3.11Å; E157-R160 VanDerWaalsContact O-N 3.12Å; A158-R160 PolarHBondContact O-N 2.74Å; R160-R163 PolarHBondContact O-N 3.44Å; R160-A164 WeakPolarHBondContact O-CB 3.46Å; R160-A164 PolarHBondContact O-N 3.01Å
161E97.7Very high95.9Very high105 Ų10593.2 Ų93.249%0.49153%0.526SS..Hα-helixtrans-63.6-45.6174.6-72.8-172.1175.800112.1E157 A158 R163 A164 K165E157-E161 WeakPolarHBondContact O-CG 3.48Å; E157-E161 PolarHBondContact O-N 3.46Å; A158-E161 PolarHBondContact O-N 3.21Å; E161-R163 VanDerWaalsContact C-N 3.33Å; E161-R163 PolarHBondContact O-N 2.94Å; E161-A164 PolarHBondContact O-N 3.46Å; E161-K165 WeakPolarHBondContact O-CG 3.4Å; E161-K165 PolarHBondContact O-N 3.34Å
162A97.6Very high96.1Very high52 Ų5296.4 Ų96.443%0.4353%0.533SS..Hα-helixtrans-59.7-44.8176.600000111.3A158 K165 L166A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 3.34Å; A162-K165 PolarHBondContact O-N 2.97Å; A162-L166 WeakPolarHBondContact O-CG 3.32Å; A162-L166 PolarHBondContact O-N 3.3Å; A162-L166 VanDerWaalsContact O-N 3.09Å
163R97.5Very high96.4Very high178 Ų17899.4 Ų99.467%0.67254%0.544SS*.Hα-helixtrans-63.4-40.9175.4-179177-85.1-179.9-5.1112A159 R160 E161 K165 L166 I167A159-R163 WeakPolarHBondContact O-CB 3.35Å; A159-R163 PolarHBondContact O-N 3.2Å; R160-R163 PolarHBondContact O-N 3.44Å; E161-R163 VanDerWaalsContact C-N 3.33Å; E161-R163 PolarHBondContact O-N 2.94Å; R163-K165 PolarHBondContact O-N 3.48Å; R163-L166 PolarHBondContact O-N 3.09Å; R163-I167 HydrophobicContact CG-CD1 3.91Å; R163-I167 HydrophobicContact CG-CG1 4.46Å; R163-I167 WeakPolarHBondContact O-CG1 3.48Å; R163-I167 PolarHBondContact O-N 3.35Å
164A97.6Very high96.7Very high57 Ų57102.3 Ų102.347%0.47155%0.548SS..Hα-helixtrans-61.7-42.2176.900000111.9R160 E161 I167 A168R160-A164 WeakPolarHBondContact O-CB 3.46Å; R160-A164 PolarHBondContact O-N 3.01Å; E161-A164 PolarHBondContact O-N 3.46Å; A164-I167 PolarHBondContact O-N 2.97Å; A164-A168 WeakPolarHBondContact O-CB 3.47Å; A164-A168 PolarHBondContact O-N 3.21Å
165K97.9Very high96.8Very high148 Ų148100.6 Ų100.664%0.64354%0.543SS*.Hα-helixtrans-62.6-40.9175.2-71.9177.5-176.9172.30112.5E161 A162 R163 A168 A169E161-K165 WeakPolarHBondContact O-CG 3.4Å; E161-K165 PolarHBondContact O-N 3.34Å; A162-K165 PolarHBondContact O-N 2.97Å; R163-K165 PolarHBondContact O-N 3.48Å; K165-A168 PolarHBondContact O-N 2.94Å; K165-A169 WeakPolarHBondContact O-CB 3.47Å; K165-A169 PolarHBondContact O-N 3.4Å
166L97.8Very high96.9Very high128 Ų12896.9 Ų96.967%0.6753%0.533SS*.Hα-helixtrans-64.4-43.5175.7-71.5174.9000112A162 R163 A168 A169 Q170A162-L166 WeakPolarHBondContact O-CG 3.32Å; A162-L166 PolarHBondContact O-N 3.3Å; A162-L166 VanDerWaalsContact O-N 3.09Å; R163-L166 PolarHBondContact O-N 3.09Å; L166-A168 VanDerWaalsContact C-N 3.35Å; L166-A169 PolarHBondContact O-N 3.49Å; L166-Q170 VanDerWaalsContact O-CB 3.29Å; L166-Q170 WeakPolarHBondContact O-CB 3.41Å; L166-Q170 PolarHBondContact O-N 3.44Å
167I97.7Very high97.1Very high115 Ų11599.3 Ų99.359%0.5954%0.536SS*.Hα-helixtrans-63.4-42.5176.4-68168.7000110.5R163 A164 Q170 G171R163-I167 HydrophobicContact CG-CD1 3.91Å; R163-I167 HydrophobicContact CG-CG1 4.46Å; R163-I167 WeakPolarHBondContact O-CG1 3.48Å; R163-I167 PolarHBondContact O-N 3.35Å; A164-I167 PolarHBondContact O-N 2.97Å; I167-Q170 PolarHBondContact O-N 2.89Å; I167-G171 PolarHBondContact O-N 2.93Å
168A97.6Very high97.2Very high64 Ų6496.5 Ų96.553%0.52953%0.534SS..Hα-helixtrans-63.1-47.7177.700000112.1A164 K165 L166 Q170 G171 E172A164-A168 WeakPolarHBondContact O-CB 3.47Å; A164-A168 PolarHBondContact O-N 3.21Å; K165-A168 PolarHBondContact O-N 2.94Å; L166-A168 VanDerWaalsContact C-N 3.35Å; A168-Q170 VanDerWaalsContact C-N 3.34Å; A168-Q170 PolarHBondContact O-N 3.12Å; A168-G171 PolarHBondContact O-N 2.96Å; A168-E172 WeakPolarHBondContact O-CB 3.29Å; A168-E172 PolarHBondContact O-N 3.32Å
169A97.4Very high97.1Very high55 Ų5599.7 Ų99.746%0.45554%0.542SS..Hα-helixtrans-63.8-38.9177.800000112.3K165 L166 E172 K173K165-A169 WeakPolarHBondContact O-CB 3.47Å; K165-A169 PolarHBondContact O-N 3.4Å; L166-A169 PolarHBondContact O-N 3.49Å; A169-E172 PolarHBondContact O-N 2.9Å; A169-K173 WeakPolarHBondContact O-CB 3.48Å; A169-K173 PolarHBondContact O-N 3.44Å
170Q97.5Very high97.1Very high88 Ų88102.6 Ų102.641%0.41154%0.544SS..Hα-helixtrans-67.1-42.8175.2-178.258.929.800111.5L166 I167 A168 E172 K173 E174L166-Q170 VanDerWaalsContact O-CB 3.29Å; L166-Q170 WeakPolarHBondContact O-CB 3.41Å; L166-Q170 PolarHBondContact O-N 3.44Å; I167-Q170 PolarHBondContact O-N 2.89Å; A168-Q170 VanDerWaalsContact C-N 3.34Å; A168-Q170 PolarHBondContact O-N 3.12Å; Q170-E172 VanDerWaalsContact C-N 3.35Å; Q170-E172 PolarHBondContact O-N 2.94Å; Q170-K173 WeakPolarHBondContact O-CB 3.43Å; Q170-K173 PolarHBondContact O-N 3.46Å; Q170-E174 PolarHBondContact NE2-OE1 3.26Å; Q170-E174 WeakPolarHBondContact O-CG 3.12Å; Q170-E174 PolarHBondContact O-N 3.02Å
171G97.7Very high97Very high36 Ų3696.2 Ų96.237%0.37153%0.527SS..Hα-helixtrans-61.8-39.7174.100000112.7I167 A168 E174 A175I167-G171 PolarHBondContact O-N 2.93Å; A168-G171 PolarHBondContact O-N 2.96Å; G171-E174 PolarHBondContact O-N 3.47Å; G171-A175 VanDerWaalsContact O-CB 3.29Å; G171-A175 WeakPolarHBondContact O-CB 3.49Å; G171-A175 PolarHBondContact O-N 2.98Å
172E96.8Very high96.8Very high139 Ų13992.9 Ų92.965%0.6552%0.518SS*.Hα-helixtrans-64.8-40.9175-176174.9-167.800111.8A168 A169 Q170 S176A168-E172 WeakPolarHBondContact O-CB 3.29Å; A168-E172 PolarHBondContact O-N 3.32Å; A169-E172 PolarHBondContact O-N 2.9Å; Q170-E172 VanDerWaalsContact C-N 3.35Å; Q170-E172 PolarHBondContact O-N 2.94Å; E172-S176 VanDerWaalsContact O-CB 3.28Å; E172-S176 WeakPolarHBondContact O-CB 3.4Å; E172-S176 PolarHBondContact O-N 2.99Å; E172-S176 PolarHBondContact O-OG 3.23Å
173K97.4Very high96.5Very high133 Ų13393.4 Ų93.458%0.57852%0.518SS*.Hα-helixtrans-62.8-46.3174.5-178.6-177.1176.2-176.30111.8A169 Q170 S176 M177A169-K173 WeakPolarHBondContact O-CB 3.48Å; A169-K173 PolarHBondContact O-N 3.44Å; Q170-K173 WeakPolarHBondContact O-CB 3.43Å; Q170-K173 PolarHBondContact O-N 3.46Å; K173-S176 PolarHBondContact O-N 3.48Å; K173-M177 WeakPolarHBondContact O-CG 3.46Å; K173-M177 PolarHBondContact O-N 2.88Å
174E97.3Very high96.3Very high116 Ų11689.9 Ų89.954%0.54251%0.509SS..Hα-helixtrans-63.5-45177.7-74.8172.3-163.600111.7Q170 G171 S176 M177 A178Q170-E174 PolarHBondContact NE2-OE1 3.26Å; Q170-E174 WeakPolarHBondContact O-CG 3.12Å; Q170-E174 PolarHBondContact O-N 3.02Å; G171-E174 PolarHBondContact O-N 3.47Å; E174-S176 VanDerWaalsContact C-N 3.33Å; E174-S176 PolarHBondContact O-N 3.44Å; E174-M177 PolarHBondContact O-N 3.41Å; E174-A178 PolarHBondContact O-N 2.85Å
175A96.7Very high96Very high53 Ų5392.3 Ų92.344%0.43851%0.513SS..Hα-helixtrans-60-43.4174.900000111.5G171 M177 A178 L179G171-A175 VanDerWaalsContact O-CB 3.29Å; G171-A175 WeakPolarHBondContact O-CB 3.49Å; G171-A175 PolarHBondContact O-N 2.98Å; A175-M177 PolarHBondContact O-N 2.94Å; A175-A178 PolarHBondContact O-N 3.28Å; A175-L179 WeakPolarHBondContact O-CB 3.28Å; A175-L179 VanDerWaalsContact O-CG 3.31Å; A175-L179 WeakPolarHBondContact O-CG 3.43Å; A175-L179 PolarHBondContact O-N 2.85Å
176S97Very high95.7Very high66 Ų6687 Ų8746%0.46249%0.492SS..Hα-helixtrans-62.5-40.6177.2-620000112.4E172 K173 E174 L179 K180E172-S176 VanDerWaalsContact O-CB 3.28Å; E172-S176 WeakPolarHBondContact O-CB 3.4Å; E172-S176 PolarHBondContact O-N 2.99Å; E172-S176 PolarHBondContact O-OG 3.23Å; K173-S176 PolarHBondContact O-N 3.48Å; E174-S176 VanDerWaalsContact C-N 3.33Å; E174-S176 PolarHBondContact O-N 3.44Å; S176-L179 PolarHBondContact O-N 3.36Å; S176-K180 PolarHBondContact O-N 2.88Å
177M97.2Very high95.3Very high110 Ų11087.7 Ų87.754%0.54249%0.493SS..Hα-helixtrans-66.2-43.8175.4-71.8-65.9-66.700111.9K173 E174 A175 L179 K180 T181K173-M177 WeakPolarHBondContact O-CG 3.46Å; K173-M177 PolarHBondContact O-N 2.88Å; E174-M177 PolarHBondContact O-N 3.41Å; A175-M177 PolarHBondContact O-N 2.94Å; M177-L179 VanDerWaalsContact C-N 3.33Å; M177-L179 PolarHBondContact O-N 2.74Å; M177-K180 WeakPolarHBondContact O-CB 3.4Å; M177-K180 PolarHBondContact O-N 3.28Å; M177-T181 PolarHBondContact O-N 3.49Å; M177-T181 PolarHBondContact O-OG1 3.45Å
178A96.3Very high95Very high64 Ų6486.9 Ų86.953%0.52950%0.497SS..Hα-helixtrans-62-41.2176.400000111.9E174 A175 T181 A182E174-A178 PolarHBondContact O-N 2.85Å; A175-A178 PolarHBondContact O-N 3.28Å; A178-T181 PolarHBondContact O-N 2.89Å; A178-A182 WeakPolarHBondContact O-CB 3.32Å; A178-A182 PolarHBondContact O-N 3.44Å
179L93.9Very high94.7Very high124 Ų12486.3 Ų86.365%0.64949%0.489SS*.Hα-helixtrans-63.6-40.3174.7-73.7174.3000112.1A175 S176 M177 A182 S183A175-L179 WeakPolarHBondContact O-CB 3.28Å; A175-L179 VanDerWaalsContact O-CG 3.31Å; A175-L179 WeakPolarHBondContact O-CG 3.43Å; A175-L179 PolarHBondContact O-N 2.85Å; S176-L179 PolarHBondContact O-N 3.36Å; M177-L179 VanDerWaalsContact C-N 3.33Å; M177-L179 PolarHBondContact O-N 2.74Å; L179-A182 PolarHBondContact O-N 3.07Å; L179-S183 WeakPolarHBondContact O-CB 3.29Å; L179-S183 PolarHBondContact O-N 3.46Å
180K96Very high94.1Very high121 Ų12188.9 Ų88.953%0.52650%0.502SS..Hα-helixtrans-59.8-49.9174.5-179.9-177.9172.2-176.60111.4S176 M177 A182 S183 E184S176-K180 PolarHBondContact O-N 2.88Å; M177-K180 WeakPolarHBondContact O-CB 3.4Å; M177-K180 PolarHBondContact O-N 3.28Å; K180-A182 PolarHBondContact O-N 3.37Å; K180-S183 WeakPolarHBondContact O-CB 3.47Å; K180-S183 PolarHBondContact O-N 2.91Å; K180-S183 VanDerWaalsContact O-N 3.16Å; K180-E184 WeakPolarHBondContact CE-OE1 3.31Å; K180-E184 WeakPolarHBondContact O-CG 3.37Å; K180-E184 PolarHBondContact O-N 3.41Å
181T94.9Very high93.8Very high69 Ų6987.5 Ų87.542%0.42351%0.505SS..Hα-helixtrans-63-41.5177.9-57.50000112M177 A178 S183 E184 I185M177-T181 PolarHBondContact O-N 3.49Å; M177-T181 PolarHBondContact O-OG1 3.45Å; A178-T181 PolarHBondContact O-N 2.89Å; T181-S183 VanDerWaalsContact C-N 3.29Å; T181-S183 PolarHBondContact O-N 3.25Å; T181-E184 PolarHBondContact O-N 3.16Å; T181-I185 HydrophobicContact CG2-CD1 4.19Å; T181-I185 WeakPolarHBondContact O-CG1 3.33Å; T181-I185 PolarHBondContact O-N 3.41Å
182A92.5Very high93.5Very high35 Ų3587.1 Ų87.129%0.28950%0.499SS..Hα-helixtrans-61.4-38.8174.500000111.8A178 L179 K180 I185 I186A178-A182 WeakPolarHBondContact O-CB 3.32Å; A178-A182 PolarHBondContact O-N 3.44Å; L179-A182 PolarHBondContact O-N 3.07Å; K180-A182 PolarHBondContact O-N 3.37Å; A182-I185 PolarHBondContact O-N 2.91Å; A182-I186 WeakPolarHBondContact O-CB 3.47Å; A182-I186 WeakPolarHBondContact O-CD1 3.47Å; A182-I186 WeakPolarHBondContact O-CG1 3.37Å; A182-I186 PolarHBondContact O-N 2.92Å
183S92.5Very high93.2Very high62 Ų6286 Ų8643%0.43449%0.494SS..Hα-helixtrans-64-44.5175.9-177.70000112.1L179 K180 T181 I185 I186 M187L179-S183 WeakPolarHBondContact O-CB 3.29Å; L179-S183 PolarHBondContact O-N 3.46Å; K180-S183 WeakPolarHBondContact O-CB 3.47Å; K180-S183 PolarHBondContact O-N 2.91Å; K180-S183 VanDerWaalsContact O-N 3.16Å; T181-S183 VanDerWaalsContact C-N 3.29Å; T181-S183 PolarHBondContact O-N 3.25Å; S183-I185 VanDerWaalsContact C-N 3.35Å; S183-I185 PolarHBondContact O-N 3.41Å; S183-I186 PolarHBondContact O-N 3.32Å; S183-M187 WeakPolarHBondContact O-CG 3.39Å; S183-M187 PolarHBondContact O-N 2.97Å
184E93.4Very high92.8Very high105 Ų10586 Ų8649%0.49150%0.497SS..Hα-helixtrans-60.3-42.2176.1-71.1168.8178.400111.7K180 T181 M187 S188K180-E184 WeakPolarHBondContact CE-OE1 3.31Å; K180-E184 WeakPolarHBondContact O-CG 3.37Å; K180-E184 PolarHBondContact O-N 3.41Å; T181-E184 PolarHBondContact O-N 3.16Å; E184-M187 PolarHBondContact O-N 2.86Å; E184-S188 PolarHBondContact O-N 3.46Å
185I91.4Very high92.5Very high108 Ų10885.7 Ų85.755%0.55450%0.498SS*.Hα-helixtrans-64.9-45.1175.5-65.3166.6000110.9T181 A182 S183 M187 S188T181-I185 HydrophobicContact CG2-CD1 4.19Å; T181-I185 WeakPolarHBondContact O-CG1 3.33Å; T181-I185 PolarHBondContact O-N 3.41Å; A182-I185 PolarHBondContact O-N 2.91Å; S183-I185 VanDerWaalsContact C-N 3.35Å; S183-I185 PolarHBondContact O-N 3.41Å; I185-M187 VanDerWaalsContact C-N 3.33Å; I185-M187 PolarHBondContact O-N 3.36Å; I185-S188 WeakPolarHBondContact O-CB 3.47Å; I185-S188 PolarHBondContact O-N 3.12Å; I185-S188 PolarHBondContact O-OG 3.19Å
186I91.6Very high92.2Very high37 Ų3789.5 Ų89.519%0.1950%0.501CS..Hα-helixtrans-63.7-38.9179.4-71.3166.1000111.3A182 S183 S188 S189 A192 M193A182-I186 WeakPolarHBondContact O-CB 3.47Å; A182-I186 WeakPolarHBondContact O-CD1 3.47Å; A182-I186 WeakPolarHBondContact O-CG1 3.37Å; A182-I186 PolarHBondContact O-N 2.92Å; S183-I186 PolarHBondContact O-N 3.32Å; I186-S188 PolarHBondContact O-N 3.28Å; I186-S189 CarbonylContact O-C 3.55Å; I186-S189 PolarHBondContact O-N 3.44Å; I186-S189 VanDerWaalsContact O-N 3.12Å; I186-A192 HydrophobicContact CG1-CB 4.43Å; I186-M193 HydrophobicContact CG2-CB 3.71Å; I186-M193 HydrophobicContact CG2-CG 4.32Å
187M89.5Confident91.8Very high142 Ų14291 Ų9170%0.750%0.497SS*.Hα-helixtrans-61.6-29.4176.6-77.1-177.866.300113S183 E184 I185 S189S183-M187 WeakPolarHBondContact O-CG 3.39Å; S183-M187 PolarHBondContact O-N 2.97Å; E184-M187 PolarHBondContact O-N 2.86Å; I185-M187 VanDerWaalsContact C-N 3.33Å; I185-M187 PolarHBondContact O-N 3.36Å; M187-S189 PolarHBondContact O-N 2.96Å
188S91.6Very high91.5Very high97 Ų9789.8 Ų89.868%0.67849%0.493SS*.Hα-helixtrans-69.4-18.9177.176.50000113.9E184 I185 I186E184-S188 PolarHBondContact O-N 3.46Å; I185-S188 WeakPolarHBondContact O-CB 3.47Å; I185-S188 PolarHBondContact O-N 3.12Å; I185-S188 PolarHBondContact O-OG 3.19Å; I186-S188 PolarHBondContact O-N 3.28Å
189S89.7Confident91.1Very high52 Ų5291.9 Ų91.936%0.36449%0.491SS..  trans-136.6102.5-178.5-179.50000111.3I186 M187 A191 A192I186-S189 CarbonylContact O-C 3.55Å; I186-S189 PolarHBondContact O-N 3.44Å; I186-S189 VanDerWaalsContact O-N 3.12Å; M187-S189 PolarHBondContact O-N 2.96Å; S189-A191 PolarHBondContact O-N 3.32Å; S189-A191 VanDerWaalsContact O-N 3.09Å; S189-A192 VanDerWaalsContact O-CB 3.3Å; S189-A192 WeakPolarHBondContact O-CB 3.22Å; S189-A192 PolarHBondContact O-N 3.42Å
190P86.3Confident90.9Very high110 Ų11089.1 Ų89.171%0.71448%0.48SS*.Hα-helixtrans-53.1-33.5178.5-28.335.3000114A192 M193 Q194P190-A192 VanDerWaalsContact C-N 3.32Å; P190-A192 PolarHBondContact O-N 2.88Å; P190-M193 PolarHBondContact O-N 3.41Å; P190-Q194 PolarHBondContact O-N 3.09Å
191A91Very high90.4Very high58 Ų5884.7 Ų84.748%0.47946%0.462SS..Hα-helixtrans-63.7-33.9175.700000112.9S189 M193 Q194 L195S189-A191 PolarHBondContact O-N 3.32Å; S189-A191 VanDerWaalsContact O-N 3.09Å; A191-M193 VanDerWaalsContact C-N 3.33Å; A191-M193 PolarHBondContact O-N 3.31Å; A191-Q194 PolarHBondContact O-N 2.97Å; A191-L195 WeakPolarHBondContact O-CG 3.33Å; A191-L195 PolarHBondContact O-N 3.46Å
192A90.7Very high89.8Confident29 Ų2983.7 Ų83.724%0.2446%0.461CS..Hα-helixtrans-65.2-36.2177.800000112.2I186 S189 P190 L195 R196I186-A192 HydrophobicContact CG1-CB 4.43Å; S189-A192 VanDerWaalsContact O-CB 3.3Å; S189-A192 WeakPolarHBondContact O-CB 3.22Å; S189-A192 PolarHBondContact O-N 3.42Å; P190-A192 VanDerWaalsContact C-N 3.32Å; P190-A192 PolarHBondContact O-N 2.88Å; A192-L195 PolarHBondContact O-N 3.45Å; A192-R196 PolarHBondContact O-N 2.95Å
193M90.8Very high89.5Confident114 Ų11487.6 Ų87.656%0.56248%0.477SS*.Hα-helixtrans-63.4-43.8175.6-173.4-174.8-72.900110.9I186 P190 A191 R196 Y197I186-M193 HydrophobicContact CG2-CB 3.71Å; I186-M193 HydrophobicContact CG2-CG 4.32Å; P190-M193 PolarHBondContact O-N 3.41Å; A191-M193 VanDerWaalsContact C-N 3.33Å; A191-M193 PolarHBondContact O-N 3.31Å; M193-R196 PolarHBondContact O-N 3.01Å; M193-Y197 WeakPolarHBondContact O-CB 3.47Å; M193-Y197 PolarHBondContact O-N 3.34Å
194Q89.6Confident89.1Confident134 Ų13488.2 Ų88.263%0.62647%0.474SS*.Hα-helixtrans-66.1-39.9177.9-165.7166.713.400112P190 A191 Y197 L198P190-Q194 PolarHBondContact O-N 3.09Å; A191-Q194 PolarHBondContact O-N 2.97Å; Q194-Y197 WeakPolarHBondContact O-CB 3.3Å; Q194-Y197 PolarHBondContact O-N 2.9Å; Q194-L198 WeakPolarHBondContact O-CG 3.48Å; Q194-L198 PolarHBondContact O-N 3.17Å
195L91.1Very high88.5Confident110 Ų11086.4 Ų86.458%0.57647%0.473SS*.Hα-helixtrans-61.6-44.3172.8-70.3174000112A191 A192 Y197 L198 Q199A191-L195 WeakPolarHBondContact O-CG 3.33Å; A191-L195 PolarHBondContact O-N 3.46Å; A192-L195 PolarHBondContact O-N 3.45Å; L195-Y197 VanDerWaalsContact C-N 3.33Å; L195-Y197 PolarHBondContact O-N 2.94Å; L195-L198 PolarHBondContact O-N 3.29Å; L195-Q199 WeakPolarHBondContact O-CG 3.44Å; L195-Q199 PolarHBondContact O-N 3.47Å
196R90.2Very high88Confident133 Ų13386.4 Ų86.450%0.50248%0.479SS..Hα-helixtrans-62.3-40.1175.8175.862.274.5169.56.2111.9A192 M193 Q199 T200A192-R196 PolarHBondContact O-N 2.95Å; M193-R196 PolarHBondContact O-N 3.01Å; R196-Q199 PolarHBondContact O-N 2.97Å; R196-T200 PolarHBondContact O-N 2.94Å; R196-T200 PolarHBondContact O-OG1 3.32Å
197Y88.4Confident87.4Confident97 Ų9791.8 Ų91.838%0.3850%0.503SS..Hα-helixtrans-60.7-50.1175.4178.9-103.2000111.1M193 Q194 L195 Q199 T200 L201 P215M193-Y197 WeakPolarHBondContact O-CB 3.47Å; M193-Y197 PolarHBondContact O-N 3.34Å; Q194-Y197 WeakPolarHBondContact O-CB 3.3Å; Q194-Y197 PolarHBondContact O-N 2.9Å; L195-Y197 VanDerWaalsContact C-N 3.33Å; L195-Y197 PolarHBondContact O-N 2.94Å; Y197-Q199 PolarHBondContact O-N 3.42Å; Y197-T200 PolarHBondContact O-N 2.83Å; Y197-L201 HydrophobicContact CD1-CD1 3.88Å; Y197-L201 HydrophobicContact CD1-CG 4.44Å; Y197-L201 HydrophobicContact CE1-CD1 3.35Å; Y197-L201 HydrophobicContact CE1-CG 4.12Å; Y197-L201 WeakPolarHBondContact O-CG 3.49Å; Y197-L201 PolarHBondContact O-N 3.37Å; Y197-P215 VanDerWaalsContact OH-CD 3.31Å; Y197-P215 WeakPolarHBondContact OH-CD 3.26Å
198L89.8Confident86.5Confident85 Ų8595 Ų9545%0.44551%0.513SS..Hα-helixtrans-61.1-39.9176.5-67.8172.9000112.6Q194 L195 L201 A202Q194-L198 WeakPolarHBondContact O-CG 3.48Å; Q194-L198 PolarHBondContact O-N 3.17Å; L195-L198 PolarHBondContact O-N 3.29Å; L198-L201 PolarHBondContact O-N 3.41Å; L198-A202 WeakPolarHBondContact O-CB 3.43Å; L198-A202 PolarHBondContact O-N 3.44Å
199Q89.2Confident85.4Confident107 Ų10797.9 Ų97.950%0.552%0.521SS..Hα-helixtrans-62.1-43.1173.6-76.2177.2-17.800112.3L195 R196 Y197 L201 A202 N203L195-Q199 WeakPolarHBondContact O-CG 3.44Å; L195-Q199 PolarHBondContact O-N 3.47Å; R196-Q199 PolarHBondContact O-N 2.97Å; Y197-Q199 PolarHBondContact O-N 3.42Å; Q199-L201 VanDerWaalsContact C-N 3.34Å; Q199-A202 PolarHBondContact O-N 3.42Å; Q199-N203 PolarHBondContact O-N 2.79Å
200T88.9Confident84.4Confident66 Ų6698.4 Ų98.441%0.40552%0.524SS..Hα-helixtrans-63.7-42.2177.6-52.50000110.7R196 Y197 N203 I204R196-T200 PolarHBondContact O-N 2.94Å; R196-T200 PolarHBondContact O-OG1 3.32Å; Y197-T200 PolarHBondContact O-N 2.83Å; T200-N203 PolarHBondContact O-N 3.17Å; T200-I204 HydrophobicContact CG2-CD1 4.03Å; T200-I204 VanDerWaalsContact O-CG1 3.3Å; T200-I204 WeakPolarHBondContact O-CG1 3.11Å; T200-I204 PolarHBondContact O-N 3.14Å
201L84.9Confident83.9Confident29 Ų2999.6 Ų99.615%0.15253%0.53CS..Hα-helixtrans-61.6-41.7174.1-70.7-178.3000112.6Y197 L198 Q199 I204 S205 I212 F214Y197-L201 HydrophobicContact CD1-CD1 3.88Å; Y197-L201 HydrophobicContact CD1-CG 4.44Å; Y197-L201 HydrophobicContact CE1-CD1 3.35Å; Y197-L201 HydrophobicContact CE1-CG 4.12Å; Y197-L201 WeakPolarHBondContact O-CG 3.49Å; Y197-L201 PolarHBondContact O-N 3.37Å; L198-L201 PolarHBondContact O-N 3.41Å; Q199-L201 VanDerWaalsContact C-N 3.34Å; L201-I204 PolarHBondContact O-N 2.93Å; L201-S205 WeakPolarHBondContact O-CB 3.49Å; L201-S205 PolarHBondContact O-N 3.32Å; L201-I212 HydrophobicContact CD2-CG2 3.82Å; L201-F214 HydrophobicContact CD1-CD2 4.41Å; L201-F214 HydrophobicContact CD1-CE2 4.49Å
202A84Confident82.8Confident48 Ų48100 Ų10040%0.39752%0.523SS..Hα-helixtrans-65.5-38.1176.900000112.6L198 Q199 S205 T206L198-A202 WeakPolarHBondContact O-CB 3.43Å; L198-A202 PolarHBondContact O-N 3.44Å; Q199-A202 PolarHBondContact O-N 3.42Å; A202-S205 PolarHBondContact O-N 3.37Å; A202-S205 PolarHBondContact O-OG 2.99Å; A202-T206 PolarHBondContact O-N 2.95Å; A202-T206 VanDerWaalsContact O-N 3.14Å; A202-T206 PolarHBondContact O-OG1 2.84Å
203N85.3Confident81.8Confident116 Ų116105.4 Ų105.462%0.6255%0.547SS*.Hα-helixtrans-63.3-47173.4-73.8-9.5000111Q199 T200 S205 T206 E207Q199-N203 PolarHBondContact O-N 2.79Å; T200-N203 PolarHBondContact O-N 3.17Å; N203-S205 VanDerWaalsContact C-N 3.31Å; N203-S205 PolarHBondContact O-N 3.38Å; N203-T206 WeakPolarHBondContact O-CB 3.3Å; N203-T206 PolarHBondContact O-N 3.38Å; N203-E207 PolarHBondContact O-N 3.1Å
204I84.7Confident80.7Confident75 Ų75105.6 Ų105.639%0.38554%0.544SS..Hα-helixtrans-62.3-37.2176.4-67.4167.9000111.3T200 L201 T206 E207 S210 I212T200-I204 HydrophobicContact CG2-CD1 4.03Å; T200-I204 VanDerWaalsContact O-CG1 3.3Å; T200-I204 WeakPolarHBondContact O-CG1 3.11Å; T200-I204 PolarHBondContact O-N 3.14Å; L201-I204 PolarHBondContact O-N 2.93Å; I204-T206 VanDerWaalsContact C-N 3.26Å; I204-T206 PolarHBondContact O-N 3Å; I204-E207 PolarHBondContact O-N 3.35Å; I204-S210 WeakPolarHBondContact CG2-OG 3.47Å; I204-I212 HydrophobicContact CG2-CG1 4.33Å
205S80.4Confident79.6Confident68 Ų68103.1 Ų103.148%0.47654%0.54SS..Hα-helixtrans-69-24.4177.884.10000113.4L201 A202 N203L201-S205 WeakPolarHBondContact O-CB 3.49Å; L201-S205 PolarHBondContact O-N 3.32Å; A202-S205 PolarHBondContact O-N 3.37Å; A202-S205 PolarHBondContact O-OG 2.99Å; N203-S205 VanDerWaalsContact C-N 3.31Å; N203-S205 PolarHBondContact O-N 3.38Å
206T79.8Confident78.4Confident108 Ų108103.4 Ų103.466%0.66354%0.542SS*.Hα-helixtrans-74.3-35.1178.8-55.80000110.9A202 N203 I204 K208A202-T206 PolarHBondContact O-N 2.95Å; A202-T206 VanDerWaalsContact O-N 3.14Å; A202-T206 PolarHBondContact O-OG1 2.84Å; N203-T206 WeakPolarHBondContact O-CB 3.3Å; N203-T206 PolarHBondContact O-N 3.38Å; I204-T206 VanDerWaalsContact C-N 3.26Å; I204-T206 PolarHBondContact O-N 3Å; T206-K208 PolarHBondContact O-N 3.34Å; T206-K208 VanDerWaalsContact O-N 3.1Å
207E79.3Confident76.8Confident150 Ų150101.7 Ų101.770%0.70155%0.548SS*.SBendtrans-70.2102.7165.6-67.3-168.9177.600108.4N203 I204 N209N203-E207 PolarHBondContact O-N 3.1Å; I204-E207 PolarHBondContact O-N 3.35Å; E207-N209 PolarHBondContact O-N 2.68Å
208K70.8Confident75.4Confident210 Ų210105.9 Ų105.991%0.91357%0.573SS**THydrogen-bonded Turntrans-61.722.1-174.5-62-177.5177.9179.50115.7T206T206-K208 PolarHBondContact O-N 3.34Å; T206-K208 VanDerWaalsContact O-N 3.1Å
209N68.9Low73.7Confident157 Ų157107 Ų10784%0.8458%0.58SS**THydrogen-bonded Turntrans-125.218.6-168.6-154.238000114.5E207E207-N209 PolarHBondContact O-N 2.68Å
210S68.6Low72Confident62 Ų62106.3 Ų106.343%0.43458%0.579SS.*  trans-141.6138.717867.70000114.6I204I204-S210 WeakPolarHBondContact CG2-OG 3.47Å
211T75.2Confident70.5Confident135 Ų135107.5 Ų107.583%0.82859%0.59SS**  trans-81.1113.9168-59.20000108.4I213T211-I213 PolarHBondContact O-N 3.08Å
212I67.2Low68.8Low66 Ų66113.5 Ų113.534%0.33862%0.619SS.*  trans-80.4112.3178-60.3174.6000109.1L201 I204 F214L201-I212 HydrophobicContact CD2-CG2 3.82Å; I204-I212 HydrophobicContact CG2-CG1 4.33Å; I212-F214 PolarHBondContact O-N 3.46Å
213I71.7Confident66.9Low144 Ų144117.4 Ų117.474%0.73863%0.632SS**  trans-82.8111.5169.7-58.5174.1000107.2T211 P215T211-I213 PolarHBondContact O-N 3.08Å; I213-P215 WeakPolarHBondContact O-CD 3.31Å
214F67.3Low65.3Low117 Ų117115.7 Ų115.751%0.51363%0.634SS.*  trans-86.5109.1174.2-166.6-93.2000109.3L201 I212 L216L201-F214 HydrophobicContact CD1-CD2 4.41Å; L201-F214 HydrophobicContact CD1-CE2 4.49Å; I212-F214 PolarHBondContact O-N 3.46Å; F214-L216 HydrophobicContact CD1-CD2 3.94Å; F214-L216 HydrophobicContact CD1-CG 4.25Å; F214-L216 HydrophobicContact CE1-CD2 3.99Å; F214-L216 PolarHBondContact O-N 3.35Å; F214-L216 VanDerWaalsContact O-N 3.08Å
215P66.7Low63.6Low82 Ų82118 Ų11853%0.53265%0.654SS.*  trans-70.7106.416829.1-30.4000107.6Y197 I213Y197-P215 VanDerWaalsContact OH-CD 3.31Å; Y197-P215 WeakPolarHBondContact OH-CD 3.26Å; I213-P215 WeakPolarHBondContact O-CD 3.31Å
216L65.5Low62.1Low117 Ų117125.1 Ų125.161%0.61367%0.672SS**  trans-58.8133.8166.1-69.7166.6000107.8F214 M218F214-L216 HydrophobicContact CD1-CD2 3.94Å; F214-L216 HydrophobicContact CD1-CG 4.25Å; F214-L216 HydrophobicContact CE1-CD2 3.99Å; F214-L216 PolarHBondContact O-N 3.35Å; F214-L216 VanDerWaalsContact O-N 3.08Å; L216-M218 PolarHBondContact O-N 3.2Å; L216-M218 VanDerWaalsContact O-N 3.14Å
217P56.7Low60.5Low97 Ų97124.7 Ų124.763%0.6367%0.673SS**  trans-56.5124.4175.722-30.5000108.7D219P217-D219 PolarHBondContact O-N 2.92Å
218M59.2Low58.8Low184 Ų184125.1 Ų125.191%0.90668%0.676SS**SBendtrans-65.50-176.3-78.2-103.6-69.100114.1L216 L220L216-M218 PolarHBondContact O-N 3.2Å; L216-M218 VanDerWaalsContact O-N 3.14Å; M218-L220 PolarHBondContact O-N 2.98Å
219D53.9Low57.3Low110 Ų110120.8 Ų120.859%0.58867%0.672SS**  trans-77.855.1164.2-90.9-27.5000111.5P217 S221 M222P217-D219 PolarHBondContact O-N 2.92Å; D219-S221 PolarHBondContact OD1-OG 3.13Å; D219-M222 HydrophobicContact CB-CE 3.97Å; D219-M222 VanDerWaalsContact O-CE 3.26Å; D219-M222 WeakPolarHBondContact O-CE 3.43Å; D219-M222 WeakPolarHBondContact O-CG 3.2Å
220L53Low56.1Low92 Ų92120.8 Ų120.848%0.48271%0.708SS.*  trans-84.45.2158.1-79.3158.7000111.3M218 M222 L223M218-L220 PolarHBondContact O-N 2.98Å; L220-M222 PolarHBondContact O-N 2.9Å; L220-M222 VanDerWaalsContact O-N 3.13Å; L220-L223 HydrophobicContact CD2-CB 4.06Å; L220-L223 HydrophobicContact CD2-CD1 3.64Å; L220-L223 HydrophobicContact CD2-CG 4.49Å; L220-L223 PolarHBondContact O-N 3.14Å
221S56.3Low55.5Low91 Ų91123.7 Ų123.764%0.63672%0.722SS**THydrogen-bonded Turntrans-56.9-21.7171.657.80000113.1D219D219-S221 PolarHBondContact OD1-OG 3.13Å
222M51.1Low54.4Low154 Ų154123.1 Ų123.176%0.75972%0.716SS**THydrogen-bonded Turntrans-86.2-7.6173.443.3177.414500114.7D219 L220D219-M222 HydrophobicContact CB-CE 3.97Å; D219-M222 VanDerWaalsContact O-CE 3.26Å; D219-M222 WeakPolarHBondContact O-CE 3.43Å; D219-M222 WeakPolarHBondContact O-CG 3.2Å; L220-M222 PolarHBondContact O-N 2.9Å; L220-M222 VanDerWaalsContact O-N 3.13Å
223L43.6Very low53.7Low130 Ų130126.3 Ų126.368%0.68174%0.737SS**  trans-113.723-177.8-86.8164.1000113.3L220 P225L220-L223 HydrophobicContact CD2-CB 4.06Å; L220-L223 HydrophobicContact CD2-CD1 3.64Å; L220-L223 HydrophobicContact CD2-CG 4.49Å; L220-L223 PolarHBondContact O-N 3.14Å; L223-P225 VanDerWaalsContact O-CD 3.26Å; L223-P225 WeakPolarHBondContact O-CD 3.26Å
224A52.1Low52.7Low80 Ų80125.2 Ų125.266%0.66174%0.737SS**SBendtrans-79114.3163.400000109.2Y226A224-Y226 PolarHBondContact O-N 3.16Å; A224-Y226 VanDerWaalsContact O-N 3.16Å
225P48.3Very low51.8Low124 Ų124125.8 Ų125.881%0.80575%0.751SS**  trans-65.8117.6178.425-30.8000110.5L223 S227L223-P225 VanDerWaalsContact O-CD 3.26Å; L223-P225 WeakPolarHBondContact O-CD 3.26Å; P225-S227 PolarHBondContact O-N 3.31Å
226Y48.2Very low50.8Low218 Ų218128.7 Ų128.786%0.85577%0.766SS**  trans-48.4114.6158.7174.9-94.8000111A224A224-Y226 PolarHBondContact O-N 3.16Å; A224-Y226 VanDerWaalsContact O-N 3.16Å
227S46.5Very low49.7Very low98 Ų98129.5 Ų129.569%0.68578%0.777SS**  trans165.5130.4159.3155.10000110.4P225P225-S227 PolarHBondContact O-N 3.31Å
228Q44.9Very low49.2Very low160 Ų160132 Ų13275%0.74879%0.788SS**  cis-162.6127.8-10.8-81-157.849.900103.6
229S38Very low48.4Very low119 Ų119127.7 Ų127.783%0.83278%0.778SS**  32.6103.895.7-46.10000114.3
230G44.2Very low47.8Very low156 Ų156129.3 Ų129.3100%1.60880%0.796SS**  trans167.6017500000111

Retrieved 230 of 230 residues in 99.7 ms (Link to these results)

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