A0A077YZZ7_TRITR Loading...

Platelet activating factor acetylhydrolase IB

AlphaFold DB , UniProt , Accession A0A077YZZ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 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
1M54.6Low69.3Low176 Ų17669.7 Ų69.787%0.86742%0.416SS*.  0127.70-84.6174.4-163.700108.4I9 A10M1-I9 HydrophobicContact CB-CG2 4.06Å; M1-I9 HydrophobicContact CG-CG2 3.64Å; M1-I9 HydrophobicContact SD-CG2 3.82Å; M1-A10 VanDerWaalsContact CA-O 3.23Å; M1-A10 WeakPolarHBondContact CA-O 3.4Å
2S65.4Low71.5Confident52 Ų5268.7 Ų68.736%0.36441%0.412SS..EExtended strand (participates in β ladder)trans-107.1133.6161.546.90000107.9A10S2-A10 PolarHBondContact N-O 2.94Å; S2-A10 PolarHBondContact O-N 3.29Å; S2-A10 WeakPolarHBondContact OG-CB 3.39Å
3I59.7Low73.3Confident129 Ų12968.9 Ų68.966%0.66241%0.406SS*.EExtended strand (participates in β ladder)trans-94.4120.8170.5-58.5177000105.9S8 I9I3-S8 WeakPolarHBondContact CA-O 3.5Å; I3-I9 HydrophobicContact CG1-CG1 4.36Å
4L59.4Low74.7Confident41 Ų4175.2 Ų75.222%0.21543%0.429CS..  trans-78.9165.3174.9-60.9-173.5000110.6D6 G7 S8 L80 L84 A118 I122L4-D6 WeakPolarHBondContact CB-OD1 3.22Å; L4-D6 PolarHBondContact O-N 2.69Å; L4-G7 PolarHBondContact O-N 3Å; L4-S8 WeakPolarHBondContact CB-OG 3.31Å; L4-S8 PolarHBondContact N-O 3.21Å; L4-L80 HydrophobicContact CD1-CD1 3.85Å; L4-L80 HydrophobicContact CD1-CD2 3.65Å; L4-L80 HydrophobicContact CD1-CG 4.14Å; L4-L80 HydrophobicContact CG-CD2 4.33Å; L4-L84 HydrophobicContact CD2-CD1 4.3Å; L4-A118 HydrophobicContact CD1-CB 4.25Å; L4-I122 HydrophobicContact CD1-CD1 4.49Å; L4-I122 HydrophobicContact CD1-CG1 4.36Å
5C53.2Low76.1Confident149 Ų14975.4 Ų75.4100%1.00743%0.429SS*.THydrogen-bonded Turntrans-59.7-21.1-176.1-64.30000114G7C5-G7 VanDerWaalsContact C-N 3.35Å
6D59.1Low77.2Confident74 Ų7477.4 Ų77.440%0.39644%0.443SS..THydrogen-bonded Turntrans-88.42176.263.46000114L4 S8 A118L4-D6 WeakPolarHBondContact CB-OD1 3.22Å; L4-D6 PolarHBondContact O-N 2.69Å; D6-S8 VanDerWaalsContact C-N 3.31Å; D6-S8 WeakPolarHBondContact OD1-CB 3.48Å; D6-S8 PolarHBondContact OD1-N 3.27Å; D6-S8 PolarHBondContact OD1-OG 3.06Å; D6-A118 WeakPolarHBondContact OD2-CB 3.23Å
7G64.2Low78.2Confident50 Ų5079.6 Ų79.652%0.51545%0.453SS..SBendtrans83.2-0.2-178.200000114.5L4 C5L4-G7 PolarHBondContact O-N 3Å; C5-G7 VanDerWaalsContact C-N 3.35Å
8S73.7Confident79.2Confident11 Ų1178.6 Ų78.68%0.07746%0.463CS..  trans-67.2144.5171.867.40000110.7I3 L4 D6 A118I3-S8 WeakPolarHBondContact CA-O 3.5Å; L4-S8 WeakPolarHBondContact CB-OG 3.31Å; L4-S8 PolarHBondContact N-O 3.21Å; D6-S8 VanDerWaalsContact C-N 3.31Å; D6-S8 WeakPolarHBondContact OD1-CB 3.48Å; D6-S8 PolarHBondContact OD1-N 3.27Å; D6-S8 PolarHBondContact OD1-OG 3.06Å; S8-A118 VanDerWaalsContact OG-CB 3.28Å; S8-A118 WeakPolarHBondContact OG-CB 3.44Å
9I83Confident80.2Confident67 Ų6778.6 Ų78.634%0.34446%0.46SS..EExtended strand (participates in β ladder)trans-109.6121.3-177.9-56.5178.9000107.6M1 I3 S77M1-I9 HydrophobicContact CB-CG2 4.06Å; M1-I9 HydrophobicContact CG-CG2 3.64Å; M1-I9 HydrophobicContact SD-CG2 3.82Å; I3-I9 HydrophobicContact CG1-CG1 4.36Å; I9-S77 VanDerWaalsContact O-CA 3.29Å; I9-S77 WeakPolarHBondContact O-CA 3.32Å; I9-S77 WeakPolarHBondContact O-CB 3.38Å; I9-S77 PolarHBondContact O-OG 3.22Å
10A94.6Very high81Confident0 Ų076.1 Ų76.10%045%0.451CS..EExtended strand (participates in β ladder)trans-92.3122.2168.700000109.5M1 S2 L80 W81 L84M1-A10 VanDerWaalsContact CA-O 3.23Å; M1-A10 WeakPolarHBondContact CA-O 3.4Å; S2-A10 PolarHBondContact N-O 2.94Å; S2-A10 PolarHBondContact O-N 3.29Å; S2-A10 WeakPolarHBondContact OG-CB 3.39Å; A10-L80 HydrophobicContact CB-CB 4.33Å; A10-L80 HydrophobicContact CB-CD2 3.9Å; A10-L80 HydrophobicContact CB-CG 3.82Å; A10-W81 HydrophobicContact CB-CB 4.17Å; A10-L84 HydrophobicContact CB-CD1 3.79Å
11S95.6Very high81.8Confident18 Ų1879.8 Ų79.813%0.12646%0.458CS..  trans-146.7141.4179.356.40000111.9S77 N78S11-S77 PolarHBondContact N-O 2.95Å; S11-S77 VanDerWaalsContact N-O 3.1Å; S11-N78 VanDerWaalsContact O-CA 3.31Å; S11-N78 WeakPolarHBondContact O-CA 3.44Å; S11-N78 PolarHBondContact O-ND2 2.75Å
12P95.7Very high83.8Confident57 Ų5772.6 Ų72.637%0.3742%0.421SS..PPolyproline II helixtrans-62161.716931.3-35.5000110.2W22 N78 W81P12-W22 HydrophobicContact CB-CE3 4.09Å; P12-W22 HydrophobicContact CB-CH2 3.76Å; P12-W22 HydrophobicContact CB-CZ3 3.43Å; P12-W22 VanDerWaalsContact CB-CZ3 3.43Å; P12-N78 VanDerWaalsContact C-ND2 3.34Å; P12-N78 PolarHBondContact O-ND2 2.92Å; P12-W81 HydrophobicContact CB-CD2 4.35Å
13Q94.3Very high85.4Confident72 Ų7273.7 Ų73.734%0.33642%0.422SS..PPolyproline II helixtrans-64.5143.3171.4-171.6176.2-32.300109.7D15 W22 R72 N78Q13-D15 PolarHBondContact O-N 3.39Å; Q13-W22 HydrophobicContact CB-CB 4.36Å; Q13-W22 VanDerWaalsContact CB-CD1 3.45Å; Q13-W22 HydrophobicContact CB-CD2 3.85Å; Q13-W22 HydrophobicContact CB-CG 3.64Å; Q13-R72 PolarHBondContact OE1-O 2.81Å; Q13-N78 WeakPolarHBondContact CA-ND2 3.26Å; Q13-N78 PolarHBondContact N-ND2 3.03Å
14E93.5Very high87.2Confident157 Ų15772.8 Ų72.873%0.73442%0.419SS*.PPolyproline II helixtrans-66.4122172-173.8178.1-178.400109.6V16E14-V16 VanDerWaalsContact C-N 3.34Å; E14-V16 HydrophobicContact CB-CG1 4.45Å; E14-V16 HydrophobicContact CG-CG1 3.91Å; E14-V16 PolarHBondContact O-N 2.96Å; E14-V16 VanDerWaalsContact O-N 3.12Å
15D95.4Very high89.1Confident78 Ų7873.1 Ų73.142%0.41742%0.421SS..  trans-85.377.5176.9-175.212000110.3Q13 D17 G18 D19 G20Q13-D15 PolarHBondContact O-N 3.39Å; D15-D17 PolarHBondContact O-N 2.87Å; D15-G18 PolarHBondContact O-N 2.96Å; D15-G18 WeakPolarHBondContact OD1-CA 3.33Å; D15-G18 PolarHBondContact OD1-N 2.83Å; D15-G18 VanDerWaalsContact OD2-C 3.29Å; D15-G18 VanDerWaalsContact OD2-CA 3.28Å; D15-G18 WeakPolarHBondContact OD2-CA 3.37Å; D15-D19 PolarHBondContact OD1-N 3.23Å; D15-D19 PolarHBondContact OD2-N 3.07Å; D15-G20 WeakPolarHBondContact OD2-CA 3.43Å; D15-G20 PolarHBondContact OD2-N 3.04Å
16V94Very high91.2Very high108 Ų10866.4 Ų66.466%0.65537%0.374SS*.SBendtrans-65.8-27.3-178.8-63.60000113.2E14E14-V16 VanDerWaalsContact C-N 3.34Å; E14-V16 HydrophobicContact CB-CG1 4.45Å; E14-V16 HydrophobicContact CG-CG1 3.91Å; E14-V16 PolarHBondContact O-N 2.96Å; E14-V16 VanDerWaalsContact O-N 3.12Å
17D94.7Very high93.1Very high115 Ų11568.1 Ų68.162%0.61538%0.38SS*.SBendtrans-90.1-19.2-178.5-66.5-36.6000111.9D15 D19 R21D15-D17 PolarHBondContact O-N 2.87Å; D17-D19 VanDerWaalsContact C-N 3.3Å; D17-R21 IonicContact OD2-NH2 3.74Å; D17-R21 PolarHBondContact OD2-NH2 3.1Å; D17-R21 VanDerWaalsContact OD2-NH2 3.12Å
18G96.1Very high94.7Very high61 Ų6170.4 Ų70.463%0.62938%0.376SS*.SBendtrans7223.3-178.700000113.3D15D15-G18 PolarHBondContact O-N 2.96Å; D15-G18 WeakPolarHBondContact OD1-CA 3.33Å; D15-G18 PolarHBondContact OD1-N 2.83Å; D15-G18 VanDerWaalsContact OD2-C 3.29Å; D15-G18 VanDerWaalsContact OD2-CA 3.28Å; D15-G18 WeakPolarHBondContact OD2-CA 3.37Å
19D96.7Very high95.9Very high79 Ų7970.2 Ų70.242%0.42237%0.374SS..SBendtrans-101.3-4.3-174.967.126.6000113.7D15 D17 R21D15-D19 PolarHBondContact OD1-N 3.23Å; D15-D19 PolarHBondContact OD2-N 3.07Å; D17-D19 VanDerWaalsContact C-N 3.3Å; D19-R21 HydrophobicContact CB-CG 4.47Å; D19-R21 PolarHBondContact O-N 2.95Å; D19-R21 VanDerWaalsContact O-N 3.08Å; D19-R21 VanDerWaalsContact OD1-CB 3.3Å; D19-R21 WeakPolarHBondContact OD1-CB 3.39Å; D19-R21 VanDerWaalsContact OD1-CG 3.22Å; D19-R21 WeakPolarHBondContact OD1-CG 3.34Å; D19-R21 PolarHBondContact OD1-N 2.98Å; D19-R21 IonicContact OD1-NE 3.94Å; D19-R21 PolarHBondContact OD1-NE 3.2Å; D19-R21 VanDerWaalsContact OD1-NE 3.14Å; D19-R21 IonicContact OD2-CZ 4Å; D19-R21 VanDerWaalsContact OD2-CZ 3.22Å; D19-R21 IonicContact OD2-NE 3.22Å; D19-R21 PolarHBondContact OD2-NE 3.11Å; D19-R21 IonicContact OD2-NH2 2.88Å; D19-R21 PolarHBondContact OD2-NH2 3.31Å
20G97Very high96.6Very high27 Ų2768 Ų6828%0.27836%0.363SS..  trans65.46.8176.100000115.2D15 W22 L23 D24D15-G20 WeakPolarHBondContact OD2-CA 3.43Å; D15-G20 PolarHBondContact OD2-N 3.04Å; G20-W22 PolarHBondContact O-N 3.18Å; G20-W22 VanDerWaalsContact O-N 3.13Å; G20-L23 PolarHBondContact O-N 3.5Å; G20-D24 PolarHBondContact O-N 3.05Å
21R97.2Very high96.8Very high155 Ų15570.6 Ų70.659%0.58538%0.384SS*.Hα-helixtrans-55.9-37.4-172.1-79.1-177.5-63.2159.2-6.6113.8D17 D19 L25D17-R21 IonicContact OD2-NH2 3.74Å; D17-R21 PolarHBondContact OD2-NH2 3.1Å; D17-R21 VanDerWaalsContact OD2-NH2 3.12Å; D19-R21 HydrophobicContact CB-CG 4.47Å; D19-R21 PolarHBondContact O-N 2.95Å; D19-R21 VanDerWaalsContact O-N 3.08Å; D19-R21 VanDerWaalsContact OD1-CB 3.3Å; D19-R21 WeakPolarHBondContact OD1-CB 3.39Å; D19-R21 VanDerWaalsContact OD1-CG 3.22Å; D19-R21 WeakPolarHBondContact OD1-CG 3.34Å; D19-R21 PolarHBondContact OD1-N 2.98Å; D19-R21 IonicContact OD1-NE 3.94Å; D19-R21 PolarHBondContact OD1-NE 3.2Å; D19-R21 VanDerWaalsContact OD1-NE 3.14Å; D19-R21 IonicContact OD2-CZ 4Å; D19-R21 VanDerWaalsContact OD2-CZ 3.22Å; D19-R21 IonicContact OD2-NE 3.22Å; D19-R21 PolarHBondContact OD2-NE 3.11Å; D19-R21 IonicContact OD2-NH2 2.88Å; D19-R21 PolarHBondContact OD2-NH2 3.31Å; R21-L25 WeakPolarHBondContact O-CB 3.03Å; R21-L25 PolarHBondContact O-N 3.45Å
22W98.1Very high96.9Very high24 Ų2471.3 Ų71.39%0.09139%0.386CS..Hα-helixtrans-65.1-45.4179.6-176.393.5000111.5P12 Q13 G20 H26 I71 D74 N78 W81 R82P12-W22 HydrophobicContact CB-CE3 4.09Å; P12-W22 HydrophobicContact CB-CH2 3.76Å; P12-W22 HydrophobicContact CB-CZ3 3.43Å; P12-W22 VanDerWaalsContact CB-CZ3 3.43Å; Q13-W22 HydrophobicContact CB-CB 4.36Å; Q13-W22 VanDerWaalsContact CB-CD1 3.45Å; Q13-W22 HydrophobicContact CB-CD2 3.85Å; Q13-W22 HydrophobicContact CB-CG 3.64Å; G20-W22 PolarHBondContact O-N 3.18Å; G20-W22 VanDerWaalsContact O-N 3.13Å; W22-H26 PolarHBondContact O-N 2.87Å; W22-H26 VanDerWaalsContact O-N 3.1Å; W22-I71 HydrophobicContact CG-CG2 4.31Å; W22-D74 PolarHBondContact NE1-OD1 3.42Å; W22-N78 HydrophobicContact CZ2-CB 4.15Å; W22-W81 HydrophobicContact CH2-CD2 4.12Å; W22-W81 AromaticContact CH2-CE3 3.39Å; W22-W81 HydrophobicContact CH2-CE3 3.39Å; W22-W81 AromaticContact CH2-CZ3 3.68Å; W22-W81 HydrophobicContact CH2-CZ3 3.68Å; W22-W81 AromaticContact CZ3-CE3 3.87Å; W22-W81 HydrophobicContact CZ3-CE3 3.87Å; W22-W81 HydrophobicContact CZ3-CH2 4.32Å; W22-W81 AromaticContact CZ3-CZ3 3.69Å; W22-W81 HydrophobicContact CZ3-CZ3 3.69Å; W22-R82 HydrophobicContact CH2-CG 3.66Å; W22-R82 HydrophobicContact CZ2-CG 3.54Å
23L98Very high97Very high75 Ų7568.6 Ų68.639%0.39337%0.368SS..Hα-helixtrans-71.7-41.3-179-173.164.2000111G20 L25 H26 E27 W81G20-L23 PolarHBondContact O-N 3.5Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 3.26Å; L23-H26 WeakPolarHBondContact O-CB 3.33Å; L23-H26 PolarHBondContact O-N 2.92Å; L23-E27 WeakPolarHBondContact O-CG 3.3Å; L23-E27 PolarHBondContact O-N 3.3Å; L23-W81 HydrophobicContact CD1-CH2 4.01Å; L23-W81 HydrophobicContact CD1-CZ3 4.44Å
24D98.3Very high97.2Very high110 Ų11071.9 Ų71.959%0.58838%0.381SS*.Hα-helixtrans-57.8-44.7175-179.476.3000111.7G20 H26 E27 K28G20-D24 PolarHBondContact O-N 3.05Å; D24-H26 PolarHBondContact O-N 3.21Å; D24-E27 PolarHBondContact O-N 2.83Å; D24-K28 PolarHBondContact O-N 3.46Å
25L98.1Very high97.4Very high49 Ų4968.4 Ų68.426%0.25738%0.379SS..Hα-helixtrans-65.9-39.1177.2-17458.3000112.3R21 L23 K28 Y29 I71R21-L25 WeakPolarHBondContact O-CB 3.03Å; R21-L25 PolarHBondContact O-N 3.45Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 3.26Å; L25-K28 HydrophobicContact CD1-CD 4.15Å; L25-K28 WeakPolarHBondContact O-CB 3.49Å; L25-K28 PolarHBondContact O-N 2.84Å; L25-Y29 HydrophobicContact CD1-CE1 3.87Å; L25-Y29 HydrophobicContact CD1-CE2 4.22Å; L25-Y29 HydrophobicContact CD2-CE2 4.33Å; L25-Y29 HydrophobicContact CG-CD2 4.49Å; L25-Y29 HydrophobicContact CG-CE1 4.39Å; L25-Y29 HydrophobicContact CG-CE2 3.83Å; L25-Y29 PolarHBondContact O-N 2.88Å; L25-I71 HydrophobicContact CB-CD1 4.25Å; L25-I71 HydrophobicContact CD2-CB 4.38Å; L25-I71 HydrophobicContact CD2-CD1 4.2Å; L25-I71 HydrophobicContact CD2-CG1 3.85Å; L25-I71 HydrophobicContact CD2-CG2 4.11Å; L25-I71 HydrophobicContact CG-CD1 4.13Å; L25-I71 HydrophobicContact CG-CG1 4.19Å
26H98.6Very high97.4Very high7 Ų769.6 Ų69.63%0.03238%0.381CS..Hα-helixtrans-62.5-46.2172.616967.1000111.9W22 L23 D24 K28 Y29 V30 I71 W81 N85 E87W22-H26 PolarHBondContact O-N 2.87Å; W22-H26 VanDerWaalsContact O-N 3.1Å; L23-H26 WeakPolarHBondContact O-CB 3.33Å; L23-H26 PolarHBondContact O-N 2.92Å; D24-H26 PolarHBondContact O-N 3.21Å; H26-K28 VanDerWaalsContact C-N 3.28Å; H26-K28 PolarHBondContact O-N 3.17Å; H26-Y29 PolarHBondContact O-N 2.97Å; H26-V30 WeakPolarHBondContact O-CG2 3.1Å; H26-V30 PolarHBondContact O-N 3.13Å; H26-I71 HydrophobicContact CB-CD1 4.26Å; H26-W81 AromaticContact CD2-CZ3 3.58Å; H26-W81 AromaticContact NE2-CZ3 3.52Å; H26-N85 PolarHBondContact CE1-O 3.04Å; H26-N85 PolarHBondContact NE2-O 3.43Å; H26-N85 VanDerWaalsContact NE2-O 3.17Å; H26-E87 IonicContact CE1-OE1 3.66Å; H26-E87 IonicContact CG-OE1 3.62Å; H26-E87 IonicContact ND1-OE1 2.77Å; H26-E87 PolarHBondContact ND1-OE1 2.85Å
27E98.4Very high97.5Very high111 Ų11173.1 Ų73.152%0.51939%0.39SS..Hα-helixtrans-61.1-38.2177.6-73.5178.9-179.300111.8L23 D24 V30 A31L23-E27 WeakPolarHBondContact O-CG 3.3Å; L23-E27 PolarHBondContact O-N 3.3Å; D24-E27 PolarHBondContact O-N 2.83Å; E27-V30 PolarHBondContact O-N 3.02Å; E27-A31 WeakPolarHBondContact O-CB 3.16Å; E27-A31 PolarHBondContact O-N 3.28Å
28K98.4Very high97.6Very high98 Ų9867.9 Ų67.943%0.42636%0.362SS..Hα-helixtrans-57.7-48.9170.1178.1-167.8163.2-162.80111.1D24 L25 H26 V30 A31 E32D24-K28 PolarHBondContact O-N 3.46Å; L25-K28 HydrophobicContact CD1-CD 4.15Å; L25-K28 WeakPolarHBondContact O-CB 3.49Å; L25-K28 PolarHBondContact O-N 2.84Å; H26-K28 VanDerWaalsContact C-N 3.28Å; H26-K28 PolarHBondContact O-N 3.17Å; K28-V30 VanDerWaalsContact C-N 3.35Å; K28-V30 PolarHBondContact O-N 2.81Å; K28-A31 WeakPolarHBondContact O-CB 3.43Å; K28-A31 PolarHBondContact O-N 3.25Å; K28-A31 VanDerWaalsContact O-N 3.11Å; K28-E32 WeakPolarHBondContact CE-OE1 3.37Å; K28-E32 IonicContact NZ-OE1 2.77Å; K28-E32 WeakPolarHBondContact O-CG 3.07Å; K28-E32 PolarHBondContact O-N 3.38Å
29Y98.6Very high97.7Very high7 Ų766.8 Ų66.83%0.02734%0.342CS..Hα-helixtrans-63-39.5178.9-65.7-26.1000112.8L25 H26 A31 E32 A33 C68 F69 G70 I71L25-Y29 HydrophobicContact CD1-CE1 3.87Å; L25-Y29 HydrophobicContact CD1-CE2 4.22Å; L25-Y29 HydrophobicContact CD2-CE2 4.33Å; L25-Y29 HydrophobicContact CG-CD2 4.49Å; L25-Y29 HydrophobicContact CG-CE1 4.39Å; L25-Y29 HydrophobicContact CG-CE2 3.83Å; L25-Y29 PolarHBondContact O-N 2.88Å; H26-Y29 PolarHBondContact O-N 2.97Å; Y29-A31 VanDerWaalsContact C-N 3.29Å; Y29-A31 PolarHBondContact O-N 3.41Å; Y29-E32 PolarHBondContact O-N 3.44Å; Y29-A33 WeakPolarHBondContact O-CB 3.33Å; Y29-A33 PolarHBondContact O-N 3Å; Y29-C68 WeakPolarHBondContact CE1-O 3.37Å; Y29-C68 PolarHBondContact OH-O 3.28Å; Y29-F69 AromaticContact CD1-CD1 3.72Å; Y29-F69 HydrophobicContact CD1-CD1 3.72Å; Y29-F69 HydrophobicContact CD1-CE1 4.18Å; Y29-F69 HydrophobicContact CD2-CB 4Å; Y29-F69 AromaticContact CD2-CD1 3.99Å; Y29-F69 HydrophobicContact CD2-CD1 3.99Å; Y29-F69 HydrophobicContact CD2-CG 4.29Å; Y29-F69 HydrophobicContact CE1-CD1 4.41Å; Y29-F69 HydrophobicContact CE2-CB 4.34Å; Y29-F69 HydrophobicContact CG-CB 4.39Å; Y29-F69 AromaticContact CG-CD1 3.49Å; Y29-F69 HydrophobicContact CG-CD1 3.49Å; Y29-F69 VanDerWaalsContact CG-CD1 3.49Å; Y29-F69 HydrophobicContact CG-CE1 4.08Å; Y29-F69 HydrophobicContact CG-CG 4.19Å; Y29-G70 PolarHBondContact OH-O 3.2Å; Y29-I71 HydrophobicContact CD2-CD1 4.37Å; Y29-I71 HydrophobicContact CD2-CG1 4.36Å; Y29-I71 HydrophobicContact CE2-CD1 4.11Å; Y29-I71 HydrophobicContact CE2-CG1 3.67Å
30V98.5Very high97.8Very high19 Ų1963 Ų6312%0.11532%0.322CS..Hα-helixtrans-61.6-38.4172.2173.90000111.3H26 E27 K28 K34 E87H26-V30 WeakPolarHBondContact O-CG2 3.1Å; H26-V30 PolarHBondContact O-N 3.13Å; E27-V30 PolarHBondContact O-N 3.02Å; K28-V30 VanDerWaalsContact C-N 3.35Å; K28-V30 PolarHBondContact O-N 2.81Å; V30-K34 WeakPolarHBondContact O-CG 3.47Å; V30-K34 PolarHBondContact O-N 3.14Å; V30-E87 HydrophobicContact CG2-CG 4.09Å
31A98.4Very high97.9Very high55 Ų5561.8 Ų61.846%0.45531%0.309SS..Hα-helixtrans-68.4-40175.400000112.2E27 K28 Y29 K34 A35E27-A31 WeakPolarHBondContact O-CB 3.16Å; E27-A31 PolarHBondContact O-N 3.28Å; K28-A31 WeakPolarHBondContact O-CB 3.43Å; K28-A31 PolarHBondContact O-N 3.25Å; K28-A31 VanDerWaalsContact O-N 3.11Å; Y29-A31 VanDerWaalsContact C-N 3.29Å; Y29-A31 PolarHBondContact O-N 3.41Å; A31-K34 PolarHBondContact O-N 3.43Å; A31-A35 WeakPolarHBondContact O-CB 3.46Å; A31-A35 PolarHBondContact O-N 3.05Å
32E97.8Very high97.9Very high34 Ų3454.4 Ų54.416%0.15928%0.281CS..Hα-helixtrans-63.7-42.3175-71.1-163.2-160.100112.3K28 Y29 K34 A35 K36 L67K28-E32 WeakPolarHBondContact CE-OE1 3.37Å; K28-E32 IonicContact NZ-OE1 2.77Å; K28-E32 WeakPolarHBondContact O-CG 3.07Å; K28-E32 PolarHBondContact O-N 3.38Å; Y29-E32 PolarHBondContact O-N 3.44Å; E32-K34 PolarHBondContact O-N 2.86Å; E32-A35 PolarHBondContact O-N 2.87Å; E32-K36 PolarHBondContact O-N 3.24Å; E32-K36 IonicContact OE2-NZ 2.81Å; E32-K36 PolarHBondContact OE2-NZ 2.89Å; E32-L67 HydrophobicContact CB-CD2 4.39Å
33A97.8Very high98Very high0 Ų053.2 Ų53.20%028%0.277CS..Hα-helixtrans-59.8-26.1174.200000112.8Y29 F69 E87 C90 I91Y29-A33 WeakPolarHBondContact O-CB 3.33Å; Y29-A33 PolarHBondContact O-N 3Å; A33-F69 HydrophobicContact CB-CZ 4.1Å; A33-E87 WeakPolarHBondContact CB-O 3.38Å; A33-C90 CarbonylContact O-C 3.52Å; A33-C90 WeakPolarHBondContact O-CB 3.44Å; A33-I91 HydrophobicContact CB-CD1 4.4Å; A33-I91 HydrophobicContact CB-CG2 3.89Å; A33-I91 WeakPolarHBondContact O-CG2 3.37Å
34K97.5Very high98Very high141 Ų14149.7 Ų49.761%0.61326%0.258SS*.Hα-helixtrans-84.3-20175.2-70.9168.4-176.2174.30113.4V30 A31 E32 C90V30-K34 WeakPolarHBondContact O-CG 3.47Å; V30-K34 PolarHBondContact O-N 3.14Å; A31-K34 PolarHBondContact O-N 3.43Å; E32-K34 PolarHBondContact O-N 2.86Å; K34-C90 HydrophobicContact CG-CB 3.93Å
35A97.1Very high98Very high83 Ų8344.4 Ų44.469%0.68623%0.23SC*.Hα-helixtrans-105.5-13.3-17000000113.7A31 E32A31-A35 WeakPolarHBondContact O-CB 3.46Å; A31-A35 PolarHBondContact O-N 3.05Å; E32-A35 PolarHBondContact O-N 2.87Å
36K96.5Very high98Very high104 Ų10442.2 Ų42.245%0.45222%0.219SC..  trans-133.3157.1-172.4-63.1169.8177.1177.50110.4E32 P38 L67E32-K36 PolarHBondContact O-N 3.24Å; E32-K36 IonicContact OE2-NZ 2.81Å; E32-K36 PolarHBondContact OE2-NZ 2.89Å; K36-P38 WeakPolarHBondContact O-CD 3.37Å; K36-L67 HydrophobicContact CB-CD2 4.43Å; K36-L67 HydrophobicContact CD-CD2 3.49Å; K36-L67 VanDerWaalsContact CD-CD2 3.49Å
37E95.7Very high98Very high181 Ų18142 Ų4285%0.84622%0.217SC*.  trans-118.585.6175.8-68.1-179.4171.200109.1
38P97.4Very high98.1Very high5 Ų536.7 Ų36.73%0.03219%0.193CC..  trans-80.1142.7-176.731.9-36.2000113.1K36 V41 H65 L67 I91 P93K36-P38 WeakPolarHBondContact O-CD 3.37Å; P38-V41 HydrophobicContact CB-CG2 4.16Å; P38-V41 HydrophobicContact CG-CG2 3.7Å; P38-H65 WeakPolarHBondContact CA-O 3.49Å; P38-H65 WeakPolarHBondContact CB-O 3.08Å; P38-L67 HydrophobicContact CB-CD1 4.24Å; P38-L67 HydrophobicContact CB-CG 3.87Å; P38-L67 HydrophobicContact CG-CD1 3.69Å; P38-L67 HydrophobicContact CG-CG 3.89Å; P38-I91 HydrophobicContact CG-CB 4.09Å; P38-I91 HydrophobicContact CG-CD1 4.23Å; P38-I91 HydrophobicContact CG-CG2 3.94Å; P38-P93 WeakPolarHBondContact O-CA 3.33Å
39D97.6Very high98.1Very high39 Ų3932.6 Ų32.621%0.20918%0.177CC..SBendtrans-78.4-30.6167.3-63.6-67.1000111.3F64 H65 K94 V95 V215D39-F64 WeakPolarHBondContact CB-O 2.96Å; D39-H65 IonicContact OD2-ND1 3.27Å; D39-H65 PolarHBondContact OD2-ND1 3.24Å; D39-K94 PolarHBondContact O-N 3.46Å; D39-K94 VanDerWaalsContact OD1-CE 3.31Å; D39-K94 WeakPolarHBondContact OD1-CE 3.5Å; D39-V95 PolarHBondContact O-N 3.4Å; D39-V215 HydrophobicContact CB-CG1 4.44Å
40V98.5Very high98Very high0 Ų033.1 Ų33.10%018%0.182CC..EExtended strand (participates in β ladder)trans-130.5135.3-177.1179.10000110.9F42 F64 C66 L67 V95 V97 V211 V215V40-F42 HydrophobicContact CG1-CD2 4.12Å; V40-F42 HydrophobicContact CG1-CE2 3.69Å; V40-F42 HydrophobicContact CG1-CZ 4.17Å; V40-F64 HydrophobicContact CB-CB 4.39Å; V40-F64 HydrophobicContact CG2-CB 3.75Å; V40-F64 HydrophobicContact CG2-CG 4.33Å; V40-C66 CarbonylContact O-C 3.6Å; V40-C66 VanDerWaalsContact O-CA 3.23Å; V40-C66 WeakPolarHBondContact O-CA 3.49Å; V40-L67 PolarHBondContact O-N 3.37Å; V40-V95 CarbonylContact C-O 3.56Å; V40-V95 VanDerWaalsContact CA-O 3.32Å; V40-V95 WeakPolarHBondContact CA-O 3.25Å; V40-V95 HydrophobicContact CG2-CB 4.19Å; V40-V97 HydrophobicContact CG1-CG2 4.18Å; V40-V211 HydrophobicContact CG2-CG1 3.56Å; V40-V215 HydrophobicContact CG2-CG2 3.89Å
41V98.7Very high98Very high0 Ų032.2 Ų32.20%018%0.176CC..EExtended strand (participates in β ladder)trans-123.7120.6173.7179.20000109.8P38 I43 L67 F69 L88 I91 P93 V95 V96 V97P38-V41 HydrophobicContact CB-CG2 4.16Å; P38-V41 HydrophobicContact CG-CG2 3.7Å; V41-I43 HydrophobicContact CG1-CD1 4.28Å; V41-I43 HydrophobicContact CG1-CG1 3.79Å; V41-L67 CarbonylContact C-O 3.55Å; V41-L67 WeakPolarHBondContact CA-O 3.49Å; V41-L67 HydrophobicContact CG2-CB 4.41Å; V41-F69 HydrophobicContact CG1-CD2 3.54Å; V41-F69 HydrophobicContact CG1-CE2 3.65Å; V41-F69 HydrophobicContact CG1-CG 4.31Å; V41-L88 HydrophobicContact CG1-CD2 4.4Å; V41-I91 HydrophobicContact CG2-CD1 3.64Å; V41-P93 HydrophobicContact CB-CB 4.45Å; V41-P93 HydrophobicContact CB-CG 4.45Å; V41-P93 HydrophobicContact CG2-CB 3.77Å; V41-P93 HydrophobicContact CG2-CG 3.85Å; V41-V95 PolarHBondContact N-O 2.91Å; V41-V96 CarbonylContact O-C 3.58Å; V41-V96 VanDerWaalsContact O-CA 3.32Å; V41-V96 WeakPolarHBondContact O-CA 3.49Å; V41-V97 PolarHBondContact O-N 2.85Å
42F98.8Very high98Very high0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-88.6131.2168.9-65.9-94.8000109.7V40 I48 L51 Y57 F61 C66 L67 F69 V97 F204 V207V40-F42 HydrophobicContact CG1-CD2 4.12Å; V40-F42 HydrophobicContact CG1-CE2 3.69Å; V40-F42 HydrophobicContact CG1-CZ 4.17Å; F42-I48 HydrophobicContact CB-CD1 4.21Å; F42-I48 HydrophobicContact CB-CG2 3.6Å; F42-I48 HydrophobicContact CD1-CD1 4.05Å; F42-L51 HydrophobicContact CD1-CD2 3.79Å; F42-L51 HydrophobicContact CE1-CD2 3.79Å; F42-L51 HydrophobicContact CG-CD2 4.27Å; F42-L51 HydrophobicContact CZ-CD2 4.27Å; F42-Y57 HydrophobicContact CE2-CE2 4.43Å; F42-F61 HydrophobicContact CE2-CB 4.42Å; F42-F61 HydrophobicContact CE2-CD1 4.19Å; F42-F61 HydrophobicContact CE2-CG 4.3Å; F42-F61 AromaticContact CZ-CD1 3.62Å; F42-F61 HydrophobicContact CZ-CD1 3.62Å; F42-F61 HydrophobicContact CZ-CD2 4.42Å; F42-F61 AromaticContact CZ-CE1 3.81Å; F42-F61 HydrophobicContact CZ-CE1 3.81Å; F42-F61 AromaticContact CZ-CG 3.94Å; F42-F61 HydrophobicContact CZ-CG 3.94Å; F42-F61 HydrophobicContact CZ-CZ 4.29Å; F42-C66 HydrophobicContact CD2-CB 4.27Å; F42-C66 HydrophobicContact CE2-CB 4.12Å; F42-L67 PolarHBondContact N-O 3.07Å; F42-F69 WeakPolarHBondContact O-CA 3.45Å; F42-F69 PolarHBondContact O-N 3.45Å; F42-V97 CarbonylContact C-O 3.51Å; F42-V97 WeakPolarHBondContact CA-O 3.49Å; F42-V97 HydrophobicContact CD1-CB 3.51Å; F42-V97 HydrophobicContact CD1-CG1 3.68Å; F42-V97 HydrophobicContact CD1-CG2 4.02Å; F42-V97 HydrophobicContact CE1-CB 3.74Å; F42-V97 HydrophobicContact CE1-CG1 3.76Å; F42-V97 HydrophobicContact CE1-CG2 3.77Å; F42-V97 HydrophobicContact CG-CB 4.19Å; F42-V97 HydrophobicContact CZ-CG2 4.21Å; F42-F204 HydrophobicContact CE1-CE1 4.19Å; F42-V207 HydrophobicContact CE1-CG1 4.28Å
43I98.9Very high97.9Very high0 Ų037.4 Ų37.40%019%0.191CC..EExtended strand (participates in β ladder)trans-128.5131.6178.1-51.6178.8000108.3V41 F69 V79 V83 L88 V96 V97 L98 L99 I123V41-I43 HydrophobicContact CG1-CD1 4.28Å; V41-I43 HydrophobicContact CG1-CG1 3.79Å; I43-F69 HydrophobicContact CG1-CD2 4.5Å; I43-V79 HydrophobicContact CG2-CG1 3.67Å; I43-V83 HydrophobicContact CD1-CG2 4.33Å; I43-V83 HydrophobicContact CG2-CG2 4.28Å; I43-L88 HydrophobicContact CD1-CD1 4.1Å; I43-L88 HydrophobicContact CD1-CD2 3.97Å; I43-L88 HydrophobicContact CD1-CG 4.41Å; I43-V96 HydrophobicContact CD1-CG1 3.64Å; I43-V96 HydrophobicContact CG1-CG1 4.11Å; I43-V97 PolarHBondContact N-O 3.43Å; I43-L98 HydrophobicContact CB-CD1 4.22Å; I43-L98 HydrophobicContact CG2-CD1 4.27Å; I43-L98 WeakPolarHBondContact O-CA 3.46Å; I43-L99 PolarHBondContact O-N 2.87Å; I43-I123 HydrophobicContact CD1-CD1 4.22Å
44G98.7Very high98Very high0 Ų038.4 Ų38.40%020%0.197CC..EExtended strand (participates in β ladder)trans172.1-157.6176.700000116.5F69 G70 I71 R82 L99G44-F69 PolarHBondContact N-O 3.35Å; G44-G70 WeakPolarHBondContact O-CA 3.42Å; G44-I71 PolarHBondContact O-N 2.81Å; G44-R82 PolarHBondContact O-NH2 2.91Å; G44-L99 WeakPolarHBondContact CA-O 3.38Å
45D98.5Very high98Very high0 Ų037.2 Ų37.20%020%0.197CC..SBendtrans-92.7-150.6-179.366.826000112.5H47 I48 A49 I71 D74 L99 S102D45-H47 PolarHBondContact O-N 3Å; D45-H47 WeakPolarHBondContact OD1-CB 3.38Å; D45-H47 IonicContact OD1-CD2 3.12Å; D45-H47 PolarHBondContact OD1-CD2 2.81Å; D45-H47 IonicContact OD1-CG 3.22Å; D45-H47 PolarHBondContact OD1-N 3.32Å; D45-I48 PolarHBondContact O-N 3.24Å; D45-A49 PolarHBondContact O-N 3.1Å; D45-A49 VanDerWaalsContact O-N 3.15Å; D45-I71 CarbonylContact C-O 3.54Å; D45-I71 VanDerWaalsContact C-O 3.27Å; D45-I71 VanDerWaalsContact CA-O 3.3Å; D45-I71 WeakPolarHBondContact CA-O 3.44Å; D45-D74 HydrophobicContact CB-CB 4.17Å; D45-D74 WeakPolarHBondContact CB-O 3.24Å; D45-L99 PolarHBondContact N-O 3.41Å; D45-S102 WeakPolarHBondContact OD2-CB 3.43Å; D45-S102 PolarHBondContact OD2-OG 3.28Å
46S98.4Very high98Very high3 Ų333.3 Ų33.32%0.02116%0.164CC..Hα-helixtrans-60.2-24.8177.955.10000113.8A49 C50 I71 H194S46-A49 PolarHBondContact O-N 2.62Å; S46-C50 WeakPolarHBondContact O-CB 3.31Å; S46-C50 PolarHBondContact O-N 3.03Å; S46-C50 PolarHBondContact O-SG 2.86Å; S46-C50 VanDerWaalsContact O-SG 3.34Å; S46-I71 PolarHBondContact N-O 2.73Å; S46-H194 WeakPolarHBondContact CB-NE2 3.45Å; S46-H194 PolarHBondContact OG-NE2 2.78Å
47H98.6Very high98.1Very high1 Ų129.6 Ų29.61%0.00515%0.148CC..Hα-helixtrans-65.4-41.9175.5-72.8-76.7000111.9D45 C50 L51 L99 F193 Y200D45-H47 PolarHBondContact O-N 3Å; D45-H47 WeakPolarHBondContact OD1-CB 3.38Å; D45-H47 IonicContact OD1-CD2 3.12Å; D45-H47 PolarHBondContact OD1-CD2 2.81Å; D45-H47 IonicContact OD1-CG 3.22Å; D45-H47 PolarHBondContact OD1-N 3.32Å; H47-C50 PolarHBondContact O-N 3.29Å; H47-L51 WeakPolarHBondContact O-CB 3.48Å; H47-L51 PolarHBondContact O-N 2.88Å; H47-L99 HydrophobicContact CB-CD2 3.53Å; H47-L99 HydrophobicContact CB-CG 4.25Å; H47-F193 PolarHBondContact CE1-O 3.02Å; H47-F193 AromaticContact NE2-CE2 3.96Å; H47-F193 AromaticContact NE2-CZ 3.94Å; H47-Y200 PolarHBondContact O-OH 3.06Å
48I98.7Very high98.1Very high0 Ų026.1 Ų26.10%013%0.131CC..Hα-helixtrans-70.9-40.3175-62.9-52.3000110.9F42 D45 C50 L51 E52 C68 L99F42-I48 HydrophobicContact CB-CD1 4.21Å; F42-I48 HydrophobicContact CB-CG2 3.6Å; F42-I48 HydrophobicContact CD1-CD1 4.05Å; D45-I48 PolarHBondContact O-N 3.24Å; I48-C50 PolarHBondContact O-N 3.43Å; I48-L51 HydrophobicContact CD1-CD2 4.45Å; I48-L51 WeakPolarHBondContact O-CB 3.3Å; I48-L51 PolarHBondContact O-N 3.2Å; I48-E52 PolarHBondContact O-N 3.03Å; I48-C68 HydrophobicContact CG2-CB 4.42Å; I48-L99 HydrophobicContact CD1-CB 3.97Å; I48-L99 HydrophobicContact CD1-CD2 4.38Å; I48-L99 HydrophobicContact CG1-CB 4.11Å
49A98.4Very high98.1Very high13 Ų1330.1 Ų30.111%0.10715%0.152CC..Hα-helixtrans-61.9-34.5177.100000112.4D45 S46 R72D45-A49 PolarHBondContact O-N 3.1Å; D45-A49 VanDerWaalsContact O-N 3.15Å; S46-A49 PolarHBondContact O-N 2.62Å; A49-R72 HydrophobicContact CB-CG 4.18Å
50C98.4Very high98Very high17 Ų1728.8 Ų28.812%0.11515%0.145CC..Hα-helixtrans-79.7-33.7176.8-77.50000112.4S46 H47 I48 E52 Q53 T54 Y200S46-C50 WeakPolarHBondContact O-CB 3.31Å; S46-C50 PolarHBondContact O-N 3.03Å; S46-C50 PolarHBondContact O-SG 2.86Å; S46-C50 VanDerWaalsContact O-SG 3.34Å; H47-C50 PolarHBondContact O-N 3.29Å; I48-C50 PolarHBondContact O-N 3.43Å; C50-E52 VanDerWaalsContact C-N 3.34Å; C50-E52 PolarHBondContact O-N 3.47Å; C50-Q53 PolarHBondContact O-N 2.96Å; C50-Q53 VanDerWaalsContact O-N 3.12Å; C50-T54 VanDerWaalsContact O-CG2 3.29Å; C50-T54 WeakPolarHBondContact O-CG2 3.32Å; C50-Y200 HydrophobicContact CB-CE2 4.19Å; C50-Y200 WeakPolarHBondContact CB-OH 3.46Å
51L98.6Very high98Very high0 Ų028.8 Ų28.80%015%0.145CC..Hα-helixtrans-53.2-50.9175.3172.968.2000111.1F42 H47 I48 Q53 T54 Y57 Y200 F204F42-L51 HydrophobicContact CD1-CD2 3.79Å; F42-L51 HydrophobicContact CE1-CD2 3.79Å; F42-L51 HydrophobicContact CG-CD2 4.27Å; F42-L51 HydrophobicContact CZ-CD2 4.27Å; H47-L51 WeakPolarHBondContact O-CB 3.48Å; H47-L51 PolarHBondContact O-N 2.88Å; I48-L51 HydrophobicContact CD1-CD2 4.45Å; I48-L51 WeakPolarHBondContact O-CB 3.3Å; I48-L51 PolarHBondContact O-N 3.2Å; L51-Q53 PolarHBondContact O-N 3.23Å; L51-T54 WeakPolarHBondContact O-CB 3.46Å; L51-T54 PolarHBondContact O-N 3.48Å; L51-T54 PolarHBondContact O-OG1 3.06Å; L51-Y57 HydrophobicContact CD2-CD2 4.37Å; L51-Y57 HydrophobicContact CG-CD2 4.09Å; L51-Y57 WeakPolarHBondContact O-CB 3.29Å; L51-Y200 HydrophobicContact CB-CD1 4.21Å; L51-Y200 HydrophobicContact CB-CE1 3.77Å; L51-Y200 HydrophobicContact CD1-CD1 3.64Å; L51-Y200 HydrophobicContact CD1-CE1 4.1Å; L51-Y200 HydrophobicContact CD1-CG 4.23Å; L51-F204 HydrophobicContact CD1-CD1 3.92Å; L51-F204 HydrophobicContact CD1-CE1 4.08Å; L51-F204 HydrophobicContact CD1-CG 4.27Å; L51-F204 HydrophobicContact CD2-CD1 3.93Å; L51-F204 HydrophobicContact CD2-CE1 3.48Å; L51-F204 VanDerWaalsContact CD2-CE1 3.48Å; L51-F204 HydrophobicContact CD2-CZ 4.22Å; L51-F204 HydrophobicContact CG-CE1 4.34Å
52E97.5Very high97.7Very high52 Ų5233.9 Ų33.924%0.24317%0.169CC..THydrogen-bonded Turntrans-55.1-23.9-178.5-168.4-174.1-14200113.1I48 C50 Y57 C68I48-E52 PolarHBondContact O-N 3.03Å; C50-E52 VanDerWaalsContact C-N 3.34Å; C50-E52 PolarHBondContact O-N 3.47Å; E52-Y57 HydrophobicContact CG-CE1 4.22Å; E52-C68 HydrophobicContact CB-CB 3.87Å; E52-C68 HydrophobicContact CG-CB 3.89Å
53Q96.7Very high97.4Very high146 Ų14639.2 Ų39.268%0.68219%0.194SC*.THydrogen-bonded Turntrans-93.79.3-177.3-54-63.5-48.800113.4C50 L51C50-Q53 PolarHBondContact O-N 2.96Å; C50-Q53 VanDerWaalsContact O-N 3.12Å; L51-Q53 PolarHBondContact O-N 3.23Å
54T98.2Very high97.3Very high21 Ų2140 Ų4013%0.12920%0.198CC..SBendtrans-104158.1-174.266.20000112.4C50 L51 T56 Y57 H58 D197 Y200C50-T54 VanDerWaalsContact O-CG2 3.29Å; C50-T54 WeakPolarHBondContact O-CG2 3.32Å; L51-T54 WeakPolarHBondContact O-CB 3.46Å; L51-T54 PolarHBondContact O-N 3.48Å; L51-T54 PolarHBondContact O-OG1 3.06Å; T54-T56 VanDerWaalsContact C-N 3.27Å; T54-Y57 PolarHBondContact O-N 3.38Å; T54-Y57 PolarHBondContact OG1-N 2.93Å; T54-H58 PolarHBondContact O-N 3.42Å; T54-D197 WeakPolarHBondContact CB-OD1 3.35Å; T54-Y200 HydrophobicContact CG2-CD2 3.33Å; T54-Y200 HydrophobicContact CG2-CE2 3.69Å; T54-Y200 HydrophobicContact CG2-CG 4.06Å
55L97.8Very high97.1Very high116 Ų11646 Ų4661%0.60723%0.225SC*.Hα-helixtrans-68.8-34.2169.5-66.4175.7000110.3Y57 H58 D59 D197L55-Y57 VanDerWaalsContact C-N 3.25Å; L55-Y57 PolarHBondContact O-N 3.37Å; L55-H58 PolarHBondContact O-N 3.11Å; L55-D59 WeakPolarHBondContact O-CB 3.43Å; L55-D59 VanDerWaalsContact O-CG 3.25Å; L55-D59 PolarHBondContact O-N 3.09Å; L55-D197 PolarHBondContact N-OD1 3.06Å
56T97.7Very high97.1Very high1 Ų146.6 Ų46.61%0.00623%0.23CC..Hα-helixtrans-53.9-42.1173.8-60.40000112.1T54 L60 D197 R201T54-T56 VanDerWaalsContact C-N 3.27Å; T56-L60 HydrophobicContact CG2-CD1 3.74Å; T56-L60 HydrophobicContact CG2-CG 4.37Å; T56-L60 VanDerWaalsContact O-CB 3.29Å; T56-L60 WeakPolarHBondContact O-CB 3.39Å; T56-L60 WeakPolarHBondContact O-CG 3.43Å; T56-L60 PolarHBondContact O-N 2.85Å; T56-D197 PolarHBondContact N-OD1 3.46Å; T56-D197 PolarHBondContact OG1-O 3.44Å; T56-D197 PolarHBondContact OG1-OD1 2.92Å; T56-R201 HydrophobicContact CG2-CB 4.43Å
57Y98.1Very high97Very high27 Ų2746.6 Ų46.611%0.10623%0.229CC..Hα-helixtrans-64.6-49.8176.4174.2-96.9000112.6F42 L51 E52 T54 L55 D59 F61 E62 C66 C68F42-Y57 HydrophobicContact CE2-CE2 4.43Å; L51-Y57 HydrophobicContact CD2-CD2 4.37Å; L51-Y57 HydrophobicContact CG-CD2 4.09Å; L51-Y57 WeakPolarHBondContact O-CB 3.29Å; E52-Y57 HydrophobicContact CG-CE1 4.22Å; T54-Y57 PolarHBondContact O-N 3.38Å; T54-Y57 PolarHBondContact OG1-N 2.93Å; L55-Y57 VanDerWaalsContact C-N 3.25Å; L55-Y57 PolarHBondContact O-N 3.37Å; Y57-D59 VanDerWaalsContact C-N 3.35Å; Y57-D59 PolarHBondContact O-N 3.1Å; Y57-F61 HydrophobicContact CD2-CB 3.89Å; Y57-F61 HydrophobicContact CD2-CD2 4.39Å; Y57-F61 HydrophobicContact CE2-CB 4Å; Y57-F61 WeakPolarHBondContact O-CA 3.23Å; Y57-F61 PolarHBondContact O-N 2.91Å; Y57-E62 PolarHBondContact O-N 3.11Å; Y57-C66 HydrophobicContact CE2-CB 4.07Å; Y57-C66 WeakPolarHBondContact OH-CB 3.36Å; Y57-C68 WeakPolarHBondContact CE2-SG 3.37Å
58H96.5Very high97Very high107 Ų10746.6 Ų46.650%0.49523%0.229SC..Hα-helixtrans-55.5-49.6176.1170.3-84.5000111.3T54 L55 L60 E62T54-H58 PolarHBondContact O-N 3.42Å; L55-H58 PolarHBondContact O-N 3.11Å; H58-L60 PolarHBondContact O-N 2.79Å; H58-E62 IonicContact CD2-OE2 2.84Å; H58-E62 PolarHBondContact CD2-OE2 3.43Å; H58-E62 IonicContact CG-OE2 3.5Å; H58-E62 IonicContact NE2-OE2 3.46Å; H58-E62 PolarHBondContact NE2-OE2 2.9Å; H58-E62 WeakPolarHBondContact O-CB 3.39Å
59D96.7Very high97Very high89 Ų8946.6 Ų46.648%0.47623%0.229SC..Hα-helixtrans-71.3-34.8-173.4-69.3-6000113.5L55 Y57L55-D59 WeakPolarHBondContact O-CB 3.43Å; L55-D59 VanDerWaalsContact O-CG 3.25Å; L55-D59 PolarHBondContact O-N 3.09Å; Y57-D59 VanDerWaalsContact C-N 3.35Å; Y57-D59 PolarHBondContact O-N 3.1Å
60L96.7Very high97Very high12 Ų1246 Ų466%0.06322%0.224CC..Hα-helixtrans-101.6-42-172.7-59.8-175.7000112.9T56 H58 Q63 F64 Y208T56-L60 HydrophobicContact CG2-CD1 3.74Å; T56-L60 HydrophobicContact CG2-CG 4.37Å; T56-L60 VanDerWaalsContact O-CB 3.29Å; T56-L60 WeakPolarHBondContact O-CB 3.39Å; T56-L60 WeakPolarHBondContact O-CG 3.43Å; T56-L60 PolarHBondContact O-N 2.85Å; H58-L60 PolarHBondContact O-N 2.79Å; L60-Q63 PolarHBondContact O-NE2 3.33Å; L60-F64 VanDerWaalsContact O-CE2 3.3Å; L60-F64 WeakPolarHBondContact O-CE2 3.37Å; L60-Y208 HydrophobicContact CB-CD2 3.79Å; L60-Y208 HydrophobicContact CB-CE2 4.25Å; L60-Y208 HydrophobicContact CB-CG 4.05Å; L60-Y208 HydrophobicContact CD1-CG 4.32Å; L60-Y208 HydrophobicContact CD2-CD1 4.08Å; L60-Y208 HydrophobicContact CD2-CD2 4.49Å; L60-Y208 HydrophobicContact CD2-CE1 4.17Å; L60-Y208 HydrophobicContact CD2-CG 4.22Å; L60-Y208 HydrophobicContact CG-CG 4.43Å; L60-Y208 WeakPolarHBondContact O-CD2 3.29Å; L60-Y208 WeakPolarHBondContact O-CE2 3.49Å
61F97.5Very high97Very high0 Ų045.4 Ų45.40%022%0.22CC..Hα-helixtrans-110.9-19.6-162.6-63.4-75.3000114.7F42 Y57 Q63 F64 C66 F204 V207 Y208 V211F42-F61 HydrophobicContact CE2-CB 4.42Å; F42-F61 HydrophobicContact CE2-CD1 4.19Å; F42-F61 HydrophobicContact CE2-CG 4.3Å; F42-F61 AromaticContact CZ-CD1 3.62Å; F42-F61 HydrophobicContact CZ-CD1 3.62Å; F42-F61 HydrophobicContact CZ-CD2 4.42Å; F42-F61 AromaticContact CZ-CE1 3.81Å; F42-F61 HydrophobicContact CZ-CE1 3.81Å; F42-F61 AromaticContact CZ-CG 3.94Å; F42-F61 HydrophobicContact CZ-CG 3.94Å; F42-F61 HydrophobicContact CZ-CZ 4.29Å; Y57-F61 HydrophobicContact CD2-CB 3.89Å; Y57-F61 HydrophobicContact CD2-CD2 4.39Å; Y57-F61 HydrophobicContact CE2-CB 4Å; Y57-F61 WeakPolarHBondContact O-CA 3.23Å; Y57-F61 PolarHBondContact O-N 2.91Å; F61-Q63 PolarHBondContact O-N 3.32Å; F61-Q63 VanDerWaalsContact O-N 3.11Å; F61-F64 HydrophobicContact CD1-CD2 4.19Å; F61-F64 HydrophobicContact CD1-CE2 4.3Å; F61-F64 PolarHBondContact O-N 3.49Å; F61-C66 PolarHBondContact O-SG 3.35Å; F61-F204 HydrophobicContact CE2-CB 4.04Å; F61-F204 HydrophobicContact CE2-CD1 4.07Å; F61-F204 HydrophobicContact CZ-CB 4.2Å; F61-F204 HydrophobicContact CZ-CD1 4.12Å; F61-V207 HydrophobicContact CE1-CG1 4.17Å; F61-V207 HydrophobicContact CZ-CB 4.14Å; F61-V207 HydrophobicContact CZ-CG1 4.08Å; F61-Y208 HydrophobicContact CE1-CD2 4.32Å; F61-V211 HydrophobicContact CE1-CG2 4.31Å
62E92.1Very high97Very high107 Ų10753.3 Ų53.350%0.525%0.25SC..G310 helixtrans-58.1-31.2-177.7-169.3168-165.300112.8Y57 H58 F64 H65Y57-E62 PolarHBondContact O-N 3.11Å; H58-E62 IonicContact CD2-OE2 2.84Å; H58-E62 PolarHBondContact CD2-OE2 3.43Å; H58-E62 IonicContact CG-OE2 3.5Å; H58-E62 IonicContact NE2-OE2 3.46Å; H58-E62 PolarHBondContact NE2-OE2 2.9Å; H58-E62 WeakPolarHBondContact O-CB 3.39Å; E62-F64 PolarHBondContact O-N 2.81Å; E62-H65 PolarHBondContact O-N 2.87Å
63Q93.6Very high96.9Very high111 Ų11152.5 Ų52.552%0.51926%0.255SS..G310 helixtrans-64.4-16.4176.569.1-173.7-42.300115.2L60 F61 Y208L60-Q63 PolarHBondContact O-NE2 3.33Å; F61-Q63 PolarHBondContact O-N 3.32Å; F61-Q63 VanDerWaalsContact O-N 3.11Å; Q63-Y208 VanDerWaalsContact NE2-CE2 3.29Å; Q63-Y208 PolarHBondContact NE2-OH 3.31Å
64F95.3Very high97Very high18 Ų1845.5 Ų45.58%0.07922%0.223CC..G310 helixtrans-99.119.3179.2-50.4-67.5000113.5D39 V40 L60 F61 E62 C66 Y208 V211 Q212 V215D39-F64 WeakPolarHBondContact CB-O 2.96Å; V40-F64 HydrophobicContact CB-CB 4.39Å; V40-F64 HydrophobicContact CG2-CB 3.75Å; V40-F64 HydrophobicContact CG2-CG 4.33Å; L60-F64 VanDerWaalsContact O-CE2 3.3Å; L60-F64 WeakPolarHBondContact O-CE2 3.37Å; F61-F64 HydrophobicContact CD1-CD2 4.19Å; F61-F64 HydrophobicContact CD1-CE2 4.3Å; F61-F64 PolarHBondContact O-N 3.49Å; E62-F64 PolarHBondContact O-N 2.81Å; F64-C66 VanDerWaalsContact C-N 3.27Å; F64-C66 PolarHBondContact O-N 2.83Å; F64-Y208 AromaticContact CE2-CD2 3.75Å; F64-Y208 HydrophobicContact CE2-CD2 3.75Å; F64-Y208 AromaticContact CE2-CE2 3.57Å; F64-Y208 HydrophobicContact CE2-CE2 3.57Å; F64-Y208 HydrophobicContact CZ-CD2 4.16Å; F64-Y208 AromaticContact CZ-CE2 3.65Å; F64-Y208 HydrophobicContact CZ-CE2 3.65Å; F64-V211 HydrophobicContact CD1-CG1 4.22Å; F64-V211 HydrophobicContact CD2-CG1 3.61Å; F64-V211 HydrophobicContact CE1-CG1 4.29Å; F64-V211 HydrophobicContact CE2-CG1 3.7Å; F64-V211 HydrophobicContact CG-CG1 3.9Å; F64-V211 HydrophobicContact CZ-CG1 4.06Å; F64-Q212 HydrophobicContact CE1-CG 4.32Å; F64-Q212 HydrophobicContact CZ-CG 3.62Å; F64-V215 HydrophobicContact CD1-CB 4.32Å; F64-V215 HydrophobicContact CD1-CG1 4.09Å; F64-V215 HydrophobicContact CD1-CG2 4.38Å
65H95.1Very high97Very high124 Ų12446.4 Ų46.457%0.57423%0.227SC*.THydrogen-bonded Turntrans5145.6179.3-51.9142.1000112.8P38 D39 E62P38-H65 WeakPolarHBondContact CA-O 3.49Å; P38-H65 WeakPolarHBondContact CB-O 3.08Å; D39-H65 IonicContact OD2-ND1 3.27Å; D39-H65 PolarHBondContact OD2-ND1 3.24Å; E62-H65 PolarHBondContact O-N 2.87Å
66C97.8Very high97Very high14 Ų1441 Ų4110%0.09520%0.199CC..  trans-69.5151.7-169.7-620000113.3V40 F42 Y57 F61 F64V40-C66 CarbonylContact O-C 3.6Å; V40-C66 VanDerWaalsContact O-CA 3.23Å; V40-C66 WeakPolarHBondContact O-CA 3.49Å; F42-C66 HydrophobicContact CD2-CB 4.27Å; F42-C66 HydrophobicContact CE2-CB 4.12Å; Y57-C66 HydrophobicContact CE2-CB 4.07Å; Y57-C66 WeakPolarHBondContact OH-CB 3.36Å; F61-C66 PolarHBondContact O-SG 3.35Å; F64-C66 VanDerWaalsContact C-N 3.27Å; F64-C66 PolarHBondContact O-N 2.83Å
67L98.2Very high96.9Very high2 Ų242 Ų421%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-112.2140.4157.3-63.6-178.4000110.7E32 K36 P38 V40 V41 F42 F69 I91E32-L67 HydrophobicContact CB-CD2 4.39Å; K36-L67 HydrophobicContact CB-CD2 4.43Å; K36-L67 HydrophobicContact CD-CD2 3.49Å; K36-L67 VanDerWaalsContact CD-CD2 3.49Å; P38-L67 HydrophobicContact CB-CD1 4.24Å; P38-L67 HydrophobicContact CB-CG 3.87Å; P38-L67 HydrophobicContact CG-CD1 3.69Å; P38-L67 HydrophobicContact CG-CG 3.89Å; V40-L67 PolarHBondContact O-N 3.37Å; V41-L67 CarbonylContact C-O 3.55Å; V41-L67 WeakPolarHBondContact CA-O 3.49Å; V41-L67 HydrophobicContact CG2-CB 4.41Å; F42-L67 PolarHBondContact N-O 3.07Å; L67-F69 HydrophobicContact CB-CD1 4.23Å; L67-F69 HydrophobicContact CB-CE1 3.6Å; L67-F69 HydrophobicContact CB-CE2 4.45Å; L67-F69 HydrophobicContact CB-CZ 3.73Å; L67-F69 HydrophobicContact CD1-CE1 3.84Å; L67-F69 HydrophobicContact CD1-CE2 4.4Å; L67-F69 HydrophobicContact CD1-CZ 3.41Å; L67-F69 VanDerWaalsContact CD1-CZ 3.41Å; L67-F69 HydrophobicContact CG-CE1 4.21Å; L67-F69 HydrophobicContact CG-CZ 4.16Å; L67-I91 HydrophobicContact CD1-CG2 4.48Å
68C98.2Very high96.9Very high1 Ų141.1 Ų41.11%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-115.796.2-179.4-74.90000111.4Y29 I48 E52 Y57 G70Y29-C68 WeakPolarHBondContact CE1-O 3.37Å; Y29-C68 PolarHBondContact OH-O 3.28Å; I48-C68 HydrophobicContact CG2-CB 4.42Å; E52-C68 HydrophobicContact CB-CB 3.87Å; E52-C68 HydrophobicContact CG-CB 3.89Å; Y57-C68 WeakPolarHBondContact CE2-SG 3.37Å; C68-G70 VanDerWaalsContact C-N 3.31Å; C68-G70 PolarHBondContact O-N 2.95Å
69F98.6Very high97Very high0 Ų036 Ų360%018%0.179CC..EExtended strand (participates in β ladder)trans-94.256.8179.3-55.5-23.4000111.8Y29 A33 V41 F42 I43 G44 L67 R82 E87 I91Y29-F69 AromaticContact CD1-CD1 3.72Å; Y29-F69 HydrophobicContact CD1-CD1 3.72Å; Y29-F69 HydrophobicContact CD1-CE1 4.18Å; Y29-F69 HydrophobicContact CD2-CB 4Å; Y29-F69 AromaticContact CD2-CD1 3.99Å; Y29-F69 HydrophobicContact CD2-CD1 3.99Å; Y29-F69 HydrophobicContact CD2-CG 4.29Å; Y29-F69 HydrophobicContact CE1-CD1 4.41Å; Y29-F69 HydrophobicContact CE2-CB 4.34Å; Y29-F69 HydrophobicContact CG-CB 4.39Å; Y29-F69 AromaticContact CG-CD1 3.49Å; Y29-F69 HydrophobicContact CG-CD1 3.49Å; Y29-F69 VanDerWaalsContact CG-CD1 3.49Å; Y29-F69 HydrophobicContact CG-CE1 4.08Å; Y29-F69 HydrophobicContact CG-CG 4.19Å; A33-F69 HydrophobicContact CB-CZ 4.1Å; V41-F69 HydrophobicContact CG1-CD2 3.54Å; V41-F69 HydrophobicContact CG1-CE2 3.65Å; V41-F69 HydrophobicContact CG1-CG 4.31Å; F42-F69 WeakPolarHBondContact O-CA 3.45Å; F42-F69 PolarHBondContact O-N 3.45Å; I43-F69 HydrophobicContact CG1-CD2 4.5Å; G44-F69 PolarHBondContact N-O 3.35Å; L67-F69 HydrophobicContact CB-CD1 4.23Å; L67-F69 HydrophobicContact CB-CE1 3.6Å; L67-F69 HydrophobicContact CB-CE2 4.45Å; L67-F69 HydrophobicContact CB-CZ 3.73Å; L67-F69 HydrophobicContact CD1-CE1 3.84Å; L67-F69 HydrophobicContact CD1-CE2 4.4Å; L67-F69 HydrophobicContact CD1-CZ 3.41Å; L67-F69 VanDerWaalsContact CD1-CZ 3.41Å; L67-F69 HydrophobicContact CG-CE1 4.21Å; L67-F69 HydrophobicContact CG-CZ 4.16Å; F69-R82 PolarHBondContact O-NH1 2.9Å; F69-R82 PolarHBondContact O-NH2 3.45Å; F69-R82 VanDerWaalsContact O-NH2 3.17Å; F69-E87 HydrophobicContact CD2-CB 3.99Å; F69-E87 HydrophobicContact CD2-CG 4.35Å; F69-E87 HydrophobicContact CE2-CB 4.1Å; F69-E87 WeakPolarHBondContact CE2-O 3.29Å; F69-I91 HydrophobicContact CE2-CD1 4.08Å; F69-I91 HydrophobicContact CZ-CD1 4.48Å
70G98.5Very high97.1Very high0 Ų031.9 Ų31.90%016%0.157CC..EExtended strand (participates in β ladder)trans-96.2129.7175.500000112Y29 G44 C68Y29-G70 PolarHBondContact OH-O 3.2Å; G44-G70 WeakPolarHBondContact O-CA 3.42Å; C68-G70 VanDerWaalsContact C-N 3.31Å; C68-G70 PolarHBondContact O-N 2.95Å
71I98.5Very high97.2Very high6 Ų633.5 Ų33.53%0.03116%0.162CC..  trans-124.9131.9171.3-52.6-169.3000111W22 L25 H26 Y29 G44 D45 S46 G73 D74 R82W22-I71 HydrophobicContact CG-CG2 4.31Å; L25-I71 HydrophobicContact CB-CD1 4.25Å; L25-I71 HydrophobicContact CD2-CB 4.38Å; L25-I71 HydrophobicContact CD2-CD1 4.2Å; L25-I71 HydrophobicContact CD2-CG1 3.85Å; L25-I71 HydrophobicContact CD2-CG2 4.11Å; L25-I71 HydrophobicContact CG-CD1 4.13Å; L25-I71 HydrophobicContact CG-CG1 4.19Å; H26-I71 HydrophobicContact CB-CD1 4.26Å; Y29-I71 HydrophobicContact CD2-CD1 4.37Å; Y29-I71 HydrophobicContact CD2-CG1 4.36Å; Y29-I71 HydrophobicContact CE2-CD1 4.11Å; Y29-I71 HydrophobicContact CE2-CG1 3.67Å; G44-I71 PolarHBondContact O-N 2.81Å; D45-I71 CarbonylContact C-O 3.54Å; D45-I71 VanDerWaalsContact C-O 3.27Å; D45-I71 VanDerWaalsContact CA-O 3.3Å; D45-I71 WeakPolarHBondContact CA-O 3.44Å; S46-I71 PolarHBondContact N-O 2.73Å; I71-G73 PolarHBondContact O-N 2.74Å; I71-D74 WeakPolarHBondContact O-CB 3.39Å; I71-D74 PolarHBondContact O-N 2.81Å; I71-R82 VanDerWaalsContact CD1-CD 3.45Å
72R97.3Very high97.2Very high165 Ų16533.5 Ų33.562%0.62316%0.162SC*.THydrogen-bonded Turntrans-67.2131-177.1-66.1-178.7175.7179.40.1111Q13 A49 D74Q13-R72 PolarHBondContact OE1-O 2.81Å; A49-R72 HydrophobicContact CB-CG 4.18Å; R72-D74 VanDerWaalsContact C-N 3.32Å
73G96.3Very high97.5Very high35 Ų3528.4 Ų28.436%0.36114%0.138SC..THydrogen-bonded Turntrans91.5-11.5177.700000114.2I71 N75I71-G73 PolarHBondContact O-N 2.74Å; G73-N75 PolarHBondContact O-N 3.45Å
74D98Very high97.7Very high0 Ų025.4 Ų25.40%013%0.126CC..  trans-54.7132.7178.9-91.77.1000112.1W22 D45 I71 R72 N78 V79 R82 N103W22-D74 PolarHBondContact NE1-OD1 3.42Å; D45-D74 HydrophobicContact CB-CB 4.17Å; D45-D74 WeakPolarHBondContact CB-O 3.24Å; I71-D74 WeakPolarHBondContact O-CB 3.39Å; I71-D74 PolarHBondContact O-N 2.81Å; R72-D74 VanDerWaalsContact C-N 3.32Å; D74-N78 HydrophobicContact CB-CB 4.06Å; D74-N78 WeakPolarHBondContact OD1-CB 3.47Å; D74-V79 HydrophobicContact CB-CG2 3.97Å; D74-R82 IonicContact OD2-CZ 2.62Å; D74-R82 VanDerWaalsContact OD2-CZ 3.22Å; D74-R82 IonicContact OD2-NE 2.92Å; D74-R82 PolarHBondContact OD2-NE 3.31Å; D74-R82 IonicContact OD2-NH2 3.83Å; D74-R82 PolarHBondContact OD2-NH2 3.48Å; D74-N103 WeakPolarHBondContact O-CB 3.45Å; D74-N103 PolarHBondContact O-ND2 2.97Å
75N97.6Very high97.8Very high40 Ų4028 Ų2821%0.21414%0.14CC..  trans-101.6179.8161.767.842.3000109.9G73 S77 N78 V79 N103G73-N75 PolarHBondContact O-N 3.45Å; N75-S77 VanDerWaalsContact C-N 3.27Å; N75-S77 PolarHBondContact O-N 3.45Å; N75-S77 WeakPolarHBondContact OD1-CA 3.28Å; N75-S77 VanDerWaalsContact OD1-CB 3.22Å; N75-S77 WeakPolarHBondContact OD1-CB 3.27Å; N75-S77 PolarHBondContact OD1-N 3.36Å; N75-N78 PolarHBondContact N-OD1 3.01Å; N75-N78 PolarHBondContact ND2-OD1 3.17Å; N75-N78 PolarHBondContact O-N 3.17Å; N75-N78 VanDerWaalsContact O-N 3.1Å; N75-N78 PolarHBondContact OD1-N 3.02Å; N75-N78 PolarHBondContact OD1-OD1 3.27Å; N75-N78 VanDerWaalsContact OD1-OD1 3.11Å; N75-V79 PolarHBondContact O-N 3.45Å; N75-V79 VanDerWaalsContact O-N 3.14Å; N75-N103 HydrophobicContact CB-CB 4.41Å
76T98Very high97.9Very high3 Ų322.7 Ų22.72%0.01812%0.12CC..Hα-helixtrans-54.5-38.3178.855.50000113.9N78 L80 V100 N104 V112 I116 I119T76-N78 VanDerWaalsContact C-N 3.31Å; T76-N78 PolarHBondContact O-N 2.73Å; T76-L80 WeakPolarHBondContact O-CB 3.48Å; T76-L80 PolarHBondContact O-N 2.96Å; T76-V100 HydrophobicContact CG2-CG1 4.35Å; T76-V100 HydrophobicContact CG2-CG2 4.13Å; T76-N104 PolarHBondContact N-OD1 2.83Å; T76-N104 PolarHBondContact OG1-ND2 3.21Å; T76-V112 HydrophobicContact CG2-CG1 4.05Å; T76-I116 HydrophobicContact CG2-CG1 3.82Å; T76-I119 HydrophobicContact CG2-CD1 4.44Å; T76-I119 WeakPolarHBondContact O-CD1 3.3Å
77S97.3Very high97.9Very high22 Ų2222 Ų2215%0.15412%0.115CC..Hα-helixtrans-66.2-33.5179.2-68.20000112.9I9 S11 N75 W81I9-S77 VanDerWaalsContact O-CA 3.29Å; I9-S77 WeakPolarHBondContact O-CA 3.32Å; I9-S77 WeakPolarHBondContact O-CB 3.38Å; I9-S77 PolarHBondContact O-OG 3.22Å; S11-S77 PolarHBondContact N-O 2.95Å; S11-S77 VanDerWaalsContact N-O 3.1Å; N75-S77 VanDerWaalsContact C-N 3.27Å; N75-S77 PolarHBondContact O-N 3.45Å; N75-S77 WeakPolarHBondContact OD1-CA 3.28Å; N75-S77 VanDerWaalsContact OD1-CB 3.22Å; N75-S77 WeakPolarHBondContact OD1-CB 3.27Å; N75-S77 PolarHBondContact OD1-N 3.36Å; S77-W81 PolarHBondContact O-N 3.43Å; S77-W81 VanDerWaalsContact O-N 3.15Å
78N98.1Very high97.9Very high8 Ų822 Ų224%0.04312%0.115CC..Hα-helixtrans-72.4-48.6177.5-52.7127.8000111.2S11 P12 Q13 W22 D74 N75 T76 L80 W81 R82S11-N78 VanDerWaalsContact O-CA 3.31Å; S11-N78 WeakPolarHBondContact O-CA 3.44Å; S11-N78 PolarHBondContact O-ND2 2.75Å; P12-N78 VanDerWaalsContact C-ND2 3.34Å; P12-N78 PolarHBondContact O-ND2 2.92Å; Q13-N78 WeakPolarHBondContact CA-ND2 3.26Å; Q13-N78 PolarHBondContact N-ND2 3.03Å; W22-N78 HydrophobicContact CZ2-CB 4.15Å; D74-N78 HydrophobicContact CB-CB 4.06Å; D74-N78 WeakPolarHBondContact OD1-CB 3.47Å; N75-N78 PolarHBondContact N-OD1 3.01Å; N75-N78 PolarHBondContact ND2-OD1 3.17Å; N75-N78 PolarHBondContact O-N 3.17Å; N75-N78 VanDerWaalsContact O-N 3.1Å; N75-N78 PolarHBondContact OD1-N 3.02Å; N75-N78 PolarHBondContact OD1-OD1 3.27Å; N75-N78 VanDerWaalsContact OD1-OD1 3.11Å; T76-N78 VanDerWaalsContact C-N 3.31Å; T76-N78 PolarHBondContact O-N 2.73Å; N78-L80 VanDerWaalsContact C-N 3.32Å; N78-L80 PolarHBondContact O-N 3.12Å; N78-W81 WeakPolarHBondContact O-CB 3.46Å; N78-W81 PolarHBondContact O-N 3.37Å; N78-W81 VanDerWaalsContact O-N 3.14Å; N78-R82 WeakPolarHBondContact O-CG 3.33Å; N78-R82 PolarHBondContact O-N 3.24Å
79V98.6Very high97.8Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-60.3-44.2176.4178.70000111I43 D74 N75 W81 R82 V83 L98 V100 I119I43-V79 HydrophobicContact CG2-CG1 3.67Å; D74-V79 HydrophobicContact CB-CG2 3.97Å; N75-V79 PolarHBondContact O-N 3.45Å; N75-V79 VanDerWaalsContact O-N 3.14Å; V79-W81 VanDerWaalsContact C-N 3.27Å; V79-W81 PolarHBondContact O-N 3.28Å; V79-R82 PolarHBondContact O-N 3.35Å; V79-R82 VanDerWaalsContact O-N 3.11Å; V79-V83 HydrophobicContact CG1-CG2 4.29Å; V79-V83 WeakPolarHBondContact O-CG2 3.47Å; V79-V83 PolarHBondContact O-N 2.64Å; V79-L98 HydrophobicContact CG1-CD1 4.34Å; V79-V100 HydrophobicContact CB-CG2 4.19Å; V79-V100 HydrophobicContact CG2-CB 4.16Å; V79-V100 HydrophobicContact CG2-CG2 3.52Å; V79-I119 HydrophobicContact CB-CD1 3.92Å; V79-I119 HydrophobicContact CG1-CD1 3.94Å; V79-I119 HydrophobicContact CG1-CG1 4.46Å; V79-I119 HydrophobicContact CG1-CG2 4.17Å
80L98.3Very high97.6Very high1 Ų130.2 Ų30.21%0.00516%0.16CC..Hα-helixtrans-57.3-42.3176.3-177.961.1000111.8L4 A10 T76 N78 L84 A118 I119 I122L4-L80 HydrophobicContact CD1-CD1 3.85Å; L4-L80 HydrophobicContact CD1-CD2 3.65Å; L4-L80 HydrophobicContact CD1-CG 4.14Å; L4-L80 HydrophobicContact CG-CD2 4.33Å; A10-L80 HydrophobicContact CB-CB 4.33Å; A10-L80 HydrophobicContact CB-CD2 3.9Å; A10-L80 HydrophobicContact CB-CG 3.82Å; T76-L80 WeakPolarHBondContact O-CB 3.48Å; T76-L80 PolarHBondContact O-N 2.96Å; N78-L80 VanDerWaalsContact C-N 3.32Å; N78-L80 PolarHBondContact O-N 3.12Å; L80-L84 HydrophobicContact CD1-CD1 4.28Å; L80-L84 HydrophobicContact CG-CD1 4.13Å; L80-L84 WeakPolarHBondContact O-CB 3.39Å; L80-L84 WeakPolarHBondContact O-CD1 3.49Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.24Å; L80-L84 PolarHBondContact O-N 2.74Å; L80-L84 VanDerWaalsContact O-N 3.11Å; L80-A118 HydrophobicContact CD1-CB 4.27Å; L80-A118 HydrophobicContact CD2-CB 4.17Å; L80-I119 HydrophobicContact CB-CD1 4.49Å; L80-I119 HydrophobicContact CB-CG1 3.78Å; L80-I119 HydrophobicContact CD1-CG1 3.98Å; L80-I119 HydrophobicContact CG-CG1 4.46Å; L80-I122 HydrophobicContact CD1-CG1 3.97Å
81W98.4Very high97.6Very high46 Ų4630.3 Ų30.317%0.17416%0.16CC..Hα-helixtrans-61.8-47.8175.2-170.894.5000111.1A10 P12 W22 L23 H26 S77 N78 V79 V83 L84 N85A10-W81 HydrophobicContact CB-CB 4.17Å; P12-W81 HydrophobicContact CB-CD2 4.35Å; W22-W81 HydrophobicContact CH2-CD2 4.12Å; W22-W81 AromaticContact CH2-CE3 3.39Å; W22-W81 HydrophobicContact CH2-CE3 3.39Å; W22-W81 AromaticContact CH2-CZ3 3.68Å; W22-W81 HydrophobicContact CH2-CZ3 3.68Å; W22-W81 AromaticContact CZ3-CE3 3.87Å; W22-W81 HydrophobicContact CZ3-CE3 3.87Å; W22-W81 HydrophobicContact CZ3-CH2 4.32Å; W22-W81 AromaticContact CZ3-CZ3 3.69Å; W22-W81 HydrophobicContact CZ3-CZ3 3.69Å; L23-W81 HydrophobicContact CD1-CH2 4.01Å; L23-W81 HydrophobicContact CD1-CZ3 4.44Å; H26-W81 AromaticContact CD2-CZ3 3.58Å; H26-W81 AromaticContact NE2-CZ3 3.52Å; S77-W81 PolarHBondContact O-N 3.43Å; S77-W81 VanDerWaalsContact O-N 3.15Å; N78-W81 WeakPolarHBondContact O-CB 3.46Å; N78-W81 PolarHBondContact O-N 3.37Å; N78-W81 VanDerWaalsContact O-N 3.14Å; V79-W81 VanDerWaalsContact C-N 3.27Å; V79-W81 PolarHBondContact O-N 3.28Å; W81-V83 PolarHBondContact O-N 3.43Å; W81-L84 WeakPolarHBondContact O-CB 3.37Å; W81-L84 PolarHBondContact O-N 2.88Å; W81-L84 VanDerWaalsContact O-N 3.13Å; W81-N85 HydrophobicContact CD2-CB 4.25Å; W81-N85 VanDerWaalsContact CD2-ND2 3.33Å; W81-N85 VanDerWaalsContact CE2-ND2 3.32Å; W81-N85 HydrophobicContact CE3-CB 3.91Å; W81-N85 HydrophobicContact CH2-CB 3.91Å; W81-N85 HydrophobicContact CZ2-CB 4.2Å; W81-N85 HydrophobicContact CZ3-CB 3.75Å; W81-N85 PolarHBondContact NE1-ND2 3.3Å; W81-N85 WeakPolarHBondContact O-CB 3.4Å; W81-N85 PolarHBondContact O-N 3.1Å; W81-N85 PolarHBondContact O-ND2 2.94Å
82R98.5Very high97.5Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-62.1-43.3-177.6-69.8-170.2-60.5111.2-10.6113.2W22 G44 F69 I71 D74 N78 V79 L84 N85 E87W22-R82 HydrophobicContact CH2-CG 3.66Å; W22-R82 HydrophobicContact CZ2-CG 3.54Å; G44-R82 PolarHBondContact O-NH2 2.91Å; F69-R82 PolarHBondContact O-NH1 2.9Å; F69-R82 PolarHBondContact O-NH2 3.45Å; F69-R82 VanDerWaalsContact O-NH2 3.17Å; I71-R82 VanDerWaalsContact CD1-CD 3.45Å; D74-R82 IonicContact OD2-CZ 2.62Å; D74-R82 VanDerWaalsContact OD2-CZ 3.22Å; D74-R82 IonicContact OD2-NE 2.92Å; D74-R82 PolarHBondContact OD2-NE 3.31Å; D74-R82 IonicContact OD2-NH2 3.83Å; D74-R82 PolarHBondContact OD2-NH2 3.48Å; N78-R82 WeakPolarHBondContact O-CG 3.33Å; N78-R82 PolarHBondContact O-N 3.24Å; V79-R82 PolarHBondContact O-N 3.35Å; V79-R82 VanDerWaalsContact O-N 3.11Å; R82-L84 VanDerWaalsContact C-N 3.29Å; R82-L84 PolarHBondContact O-N 3.48Å; R82-N85 CarbonylContact O-C 3.58Å; R82-N85 PolarHBondContact O-N 3.2Å; R82-E87 WeakPolarHBondContact CB-OE1 3.46Å; R82-E87 WeakPolarHBondContact CD-OE1 3.37Å; R82-E87 IonicContact CZ-OE1 2.75Å; R82-E87 IonicContact CZ-OE2 3.32Å; R82-E87 IonicContact NE-OE1 3.79Å; R82-E87 IonicContact NH1-OE1 3Å; R82-E87 PolarHBondContact NH1-OE1 2.86Å; R82-E87 IonicContact NH1-OE2 3.75Å; R82-E87 PolarHBondContact NH1-OE2 2.92Å
83V98Very high97.6Very high0 Ų029.1 Ų29.10%016%0.161CC..Hα-helixtrans-61.7-38.4175.7175.20000111.2I43 V79 W81 N85 L88 I119 I122 I123 K126I43-V83 HydrophobicContact CD1-CG2 4.33Å; I43-V83 HydrophobicContact CG2-CG2 4.28Å; V79-V83 HydrophobicContact CG1-CG2 4.29Å; V79-V83 WeakPolarHBondContact O-CG2 3.47Å; V79-V83 PolarHBondContact O-N 2.64Å; W81-V83 PolarHBondContact O-N 3.43Å; V83-N85 VanDerWaalsContact C-N 3.28Å; V83-N85 PolarHBondContact O-N 3.15Å; V83-L88 HydrophobicContact CG1-CD1 3.82Å; V83-L88 HydrophobicContact CG1-CG 4.43Å; V83-I119 HydrophobicContact CG2-CG2 4.46Å; V83-I122 HydrophobicContact CG1-CB 4.3Å; V83-I122 HydrophobicContact CG1-CG2 3.63Å; V83-I123 HydrophobicContact CG1-CG1 4.06Å; V83-K126 HydrophobicContact CG1-CD 4.36Å; V83-K126 VanDerWaalsContact O-CE 3.24Å; V83-K126 WeakPolarHBondContact O-CE 3.48Å
84L97.1Very high97.6Very high49 Ų4930 Ų3026%0.25716%0.155SC..Hα-helixtrans-71.3-19.8175-74.8168.8000113.8L4 A10 L80 W81 R82 I122L4-L84 HydrophobicContact CD2-CD1 4.3Å; A10-L84 HydrophobicContact CB-CD1 3.79Å; L80-L84 HydrophobicContact CD1-CD1 4.28Å; L80-L84 HydrophobicContact CG-CD1 4.13Å; L80-L84 WeakPolarHBondContact O-CB 3.39Å; L80-L84 WeakPolarHBondContact O-CD1 3.49Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.24Å; L80-L84 PolarHBondContact O-N 2.74Å; L80-L84 VanDerWaalsContact O-N 3.11Å; W81-L84 WeakPolarHBondContact O-CB 3.37Å; W81-L84 PolarHBondContact O-N 2.88Å; W81-L84 VanDerWaalsContact O-N 3.13Å; R82-L84 VanDerWaalsContact C-N 3.29Å; R82-L84 PolarHBondContact O-N 3.48Å; L84-I122 HydrophobicContact CD2-CD1 3.94Å; L84-I122 HydrophobicContact CD2-CG1 4.04Å; L84-I122 HydrophobicContact CD2-CG2 3.77Å; L84-I122 HydrophobicContact CG-CG1 4.49Å; L84-I122 HydrophobicContact CG-CG2 4.24Å
85N97.5Very high97.7Very high72 Ų7230 Ų3039%0.38516%0.155SC..THydrogen-bonded Turntrans-114.632.4-169.6-72.3-88.7000113.6H26 W81 R82 V83H26-N85 PolarHBondContact CE1-O 3.04Å; H26-N85 PolarHBondContact NE2-O 3.43Å; H26-N85 VanDerWaalsContact NE2-O 3.17Å; W81-N85 HydrophobicContact CD2-CB 4.25Å; W81-N85 VanDerWaalsContact CD2-ND2 3.33Å; W81-N85 VanDerWaalsContact CE2-ND2 3.32Å; W81-N85 HydrophobicContact CE3-CB 3.91Å; W81-N85 HydrophobicContact CH2-CB 3.91Å; W81-N85 HydrophobicContact CZ2-CB 4.2Å; W81-N85 HydrophobicContact CZ3-CB 3.75Å; W81-N85 PolarHBondContact NE1-ND2 3.3Å; W81-N85 WeakPolarHBondContact O-CB 3.4Å; W81-N85 PolarHBondContact O-N 3.1Å; W81-N85 PolarHBondContact O-ND2 2.94Å; R82-N85 CarbonylContact O-C 3.58Å; R82-N85 PolarHBondContact O-N 3.2Å; V83-N85 VanDerWaalsContact C-N 3.28Å; V83-N85 PolarHBondContact O-N 3.15Å
86G96.6Very high97.7Very high13 Ų1328.1 Ų28.113%0.13415%0.145CC..THydrogen-bonded Turntrans121.4-15.5157.700000116.6L88 E89G86-L88 PolarHBondContact O-N 2.95Å; G86-L88 VanDerWaalsContact O-N 3.1Å; G86-E89 PolarHBondContact O-N 2.93Å
87E98.1Very high97.8Very high0 Ų028 Ų280%014%0.144CC..THydrogen-bonded Turntrans-62.3-23.5-173-77179.3-173.800113.4H26 V30 A33 F69 R82 I91H26-E87 IonicContact CE1-OE1 3.66Å; H26-E87 IonicContact CG-OE1 3.62Å; H26-E87 IonicContact ND1-OE1 2.77Å; H26-E87 PolarHBondContact ND1-OE1 2.85Å; V30-E87 HydrophobicContact CG2-CG 4.09Å; A33-E87 WeakPolarHBondContact CB-O 3.38Å; F69-E87 HydrophobicContact CD2-CB 3.99Å; F69-E87 HydrophobicContact CD2-CG 4.35Å; F69-E87 HydrophobicContact CE2-CB 4.1Å; F69-E87 WeakPolarHBondContact CE2-O 3.29Å; R82-E87 WeakPolarHBondContact CB-OE1 3.46Å; R82-E87 WeakPolarHBondContact CD-OE1 3.37Å; R82-E87 IonicContact CZ-OE1 2.75Å; R82-E87 IonicContact CZ-OE2 3.32Å; R82-E87 IonicContact NE-OE1 3.79Å; R82-E87 IonicContact NH1-OE1 3Å; R82-E87 PolarHBondContact NH1-OE1 2.86Å; R82-E87 IonicContact NH1-OE2 3.75Å; R82-E87 PolarHBondContact NH1-OE2 2.92Å; E87-I91 WeakPolarHBondContact O-CD1 3.47Å
88L98.1Very high97.9Very high2 Ų226.9 Ų26.91%0.0114%0.137CC..THydrogen-bonded Turntrans-115.120.5-178.7-56.7-173.3000113.8V41 I43 V83 G86 I91 I123 K126 Q127V41-L88 HydrophobicContact CG1-CD2 4.4Å; I43-L88 HydrophobicContact CD1-CD1 4.1Å; I43-L88 HydrophobicContact CD1-CD2 3.97Å; I43-L88 HydrophobicContact CD1-CG 4.41Å; V83-L88 HydrophobicContact CG1-CD1 3.82Å; V83-L88 HydrophobicContact CG1-CG 4.43Å; G86-L88 PolarHBondContact O-N 2.95Å; G86-L88 VanDerWaalsContact O-N 3.1Å; L88-I91 HydrophobicContact CD2-CD1 3.87Å; L88-I91 HydrophobicContact CD2-CG1 4.48Å; L88-I123 HydrophobicContact CD1-CB 4.48Å; L88-I123 HydrophobicContact CD1-CG1 3.94Å; L88-I123 HydrophobicContact CD1-CG2 4.35Å; L88-K126 HydrophobicContact CB-CB 4.46Å; L88-K126 HydrophobicContact CB-CD 4.3Å; L88-Q127 HydrophobicContact CB-CG 4.16Å; L88-Q127 HydrophobicContact CD1-CG 4.07Å; L88-Q127 PolarHBondContact O-NE2 3.05Å
89E95.7Very high97.9Very high106 Ų10626.5 Ų26.550%0.49514%0.135SC..SBendtrans-89.4-25.2-174.3-62.9-62.214700114.6G86 K126G86-E89 PolarHBondContact O-N 2.93Å; E89-K126 IonicContact OE1-NZ 2.77Å; E89-K126 PolarHBondContact OE1-NZ 2.8Å
90C95.4Very high97.9Very high66 Ų6626.6 Ų26.645%0.44614%0.135SC..SBendtrans-120.911.9-170.3-59.70000113.8A33 K34A33-C90 CarbonylContact O-C 3.52Å; A33-C90 WeakPolarHBondContact O-CB 3.44Å; K34-C90 HydrophobicContact CG-CB 3.93Å
91I97.8Very high97.9Very high3 Ų326.7 Ų26.72%0.01514%0.136CC..  trans-125.6158.7-179.357.8-177.9000110.5A33 P38 V41 L67 F69 E87 L88 Q127A33-I91 HydrophobicContact CB-CD1 4.4Å; A33-I91 HydrophobicContact CB-CG2 3.89Å; A33-I91 WeakPolarHBondContact O-CG2 3.37Å; P38-I91 HydrophobicContact CG-CB 4.09Å; P38-I91 HydrophobicContact CG-CD1 4.23Å; P38-I91 HydrophobicContact CG-CG2 3.94Å; V41-I91 HydrophobicContact CG2-CD1 3.64Å; L67-I91 HydrophobicContact CD1-CG2 4.48Å; F69-I91 HydrophobicContact CE2-CD1 4.08Å; F69-I91 HydrophobicContact CZ-CD1 4.48Å; E87-I91 WeakPolarHBondContact O-CD1 3.47Å; L88-I91 HydrophobicContact CD2-CD1 3.87Å; L88-I91 HydrophobicContact CD2-CG1 4.48Å; I91-Q127 PolarHBondContact O-NE2 2.93Å; I91-Q127 PolarHBondContact O-OE1 3.45Å
92H97.5Very high97.8Very high145 Ų14524.7 Ų24.767%0.67113%0.129SC*.  trans-134.961.6177.3-58.689.8000110.4
93P98.1Very high97.8Very high0 Ų025.9 Ų25.90%014%0.136CC..  trans-60.5150.4-179.428.2-37.4000111.6P38 V41 V96 Q129 A130P38-P93 WeakPolarHBondContact O-CA 3.33Å; V41-P93 HydrophobicContact CB-CB 4.45Å; V41-P93 HydrophobicContact CB-CG 4.45Å; V41-P93 HydrophobicContact CG2-CB 3.77Å; V41-P93 HydrophobicContact CG2-CG 3.85Å; P93-V96 HydrophobicContact CG-CG2 3.87Å; P93-Q129 PolarHBondContact O-NE2 3.19Å; P93-A130 WeakPolarHBondContact O-CB 3.39Å
94K98.1Very high97.7Very high54 Ų5426 Ų2624%0.23514%0.137CC..SBendtrans-76.1-36.6168.5-58.6-175.7-172-167.60110.4D39 A130 K131 V215 E218D39-K94 PolarHBondContact O-N 3.46Å; D39-K94 VanDerWaalsContact OD1-CE 3.31Å; D39-K94 WeakPolarHBondContact OD1-CE 3.5Å; K94-A130 CarbonylContact O-C 3.55Å; K94-A130 WeakPolarHBondContact O-CA 3.17Å; K94-K131 PolarHBondContact O-N 3.06Å; K94-V215 HydrophobicContact CD-CG1 4.35Å; K94-E218 WeakPolarHBondContact CE-OE2 3.44Å; K94-E218 IonicContact NZ-OE2 2.69Å; K94-E218 PolarHBondContact NZ-OE2 2.89Å
95V98.6Very high97.3Very high0 Ų031 Ų310%015%0.152CC..EExtended strand (participates in β ladder)trans-130.6134.2-177.6-171.90000111.3D39 V40 V41 V97 K131 L133 V211 L214 V215D39-V95 PolarHBondContact O-N 3.4Å; V40-V95 CarbonylContact C-O 3.56Å; V40-V95 VanDerWaalsContact CA-O 3.32Å; V40-V95 WeakPolarHBondContact CA-O 3.25Å; V40-V95 HydrophobicContact CG2-CB 4.19Å; V41-V95 PolarHBondContact N-O 2.91Å; V95-V97 HydrophobicContact CG1-CG2 4.1Å; V95-K131 CarbonylContact C-O 3.53Å; V95-K131 VanDerWaalsContact CA-O 3.29Å; V95-K131 WeakPolarHBondContact CA-O 3.3Å; V95-L133 HydrophobicContact CG1-CD1 3.91Å; V95-L133 HydrophobicContact CG1-CG 4Å; V95-V211 HydrophobicContact CG1-CG2 4.34Å; V95-L214 HydrophobicContact CG1-CD1 4.23Å; V95-L214 HydrophobicContact CG2-CB 3.59Å; V95-L214 HydrophobicContact CG2-CD1 4.02Å; V95-L214 HydrophobicContact CG2-CG 4.48Å; V95-V215 HydrophobicContact CG2-CG2 4.04Å
96V98.8Very high96.9Very high0 Ų035.3 Ų35.30%018%0.175CC..EExtended strand (participates in β ladder)trans-113.1120.8167178.50000108.7V41 I43 P93 I123 A130 K131 I132 L133V41-V96 CarbonylContact O-C 3.58Å; V41-V96 VanDerWaalsContact O-CA 3.32Å; V41-V96 WeakPolarHBondContact O-CA 3.49Å; I43-V96 HydrophobicContact CD1-CG1 3.64Å; I43-V96 HydrophobicContact CG1-CG1 4.11Å; P93-V96 HydrophobicContact CG-CG2 3.87Å; V96-I123 HydrophobicContact CB-CG2 4.21Å; V96-I123 HydrophobicContact CG1-CD1 4.11Å; V96-I123 HydrophobicContact CG1-CG2 4.11Å; V96-I123 HydrophobicContact CG2-CG2 4.12Å; V96-A130 HydrophobicContact CG2-CB 4.06Å; V96-K131 PolarHBondContact N-O 2.86Å; V96-I132 CarbonylContact O-C 3.59Å; V96-I132 VanDerWaalsContact O-CA 3.27Å; V96-I132 WeakPolarHBondContact O-CA 3.22Å; V96-L133 PolarHBondContact O-N 2.9Å
97V98.9Very high96.8Very high0 Ų037.4 Ų37.40%018%0.181CC..EExtended strand (participates in β ladder)trans-101.1117176.1-174.50000108.8V40 V41 F42 I43 V95 L133 L135 V207 V211V40-V97 HydrophobicContact CG1-CG2 4.18Å; V41-V97 PolarHBondContact O-N 2.85Å; F42-V97 CarbonylContact C-O 3.51Å; F42-V97 WeakPolarHBondContact CA-O 3.49Å; F42-V97 HydrophobicContact CD1-CB 3.51Å; F42-V97 HydrophobicContact CD1-CG1 3.68Å; F42-V97 HydrophobicContact CD1-CG2 4.02Å; F42-V97 HydrophobicContact CE1-CB 3.74Å; F42-V97 HydrophobicContact CE1-CG1 3.76Å; F42-V97 HydrophobicContact CE1-CG2 3.77Å; F42-V97 HydrophobicContact CG-CB 4.19Å; F42-V97 HydrophobicContact CZ-CG2 4.21Å; I43-V97 PolarHBondContact N-O 3.43Å; V95-V97 HydrophobicContact CG1-CG2 4.1Å; V97-L133 CarbonylContact C-O 3.59Å; V97-L133 WeakPolarHBondContact CA-O 3.44Å; V97-L133 HydrophobicContact CG1-CB 4.47Å; V97-L133 HydrophobicContact CG2-CB 4.32Å; V97-L133 HydrophobicContact CG2-CD1 4.28Å; V97-L135 HydrophobicContact CG1-CD1 3.6Å; V97-L135 HydrophobicContact CG1-CD2 3.95Å; V97-L135 HydrophobicContact CG1-CG 3.74Å; V97-V207 HydrophobicContact CG1-CG1 4.13Å; V97-V207 HydrophobicContact CG2-CG1 4.38Å; V97-V211 HydrophobicContact CG2-CG2 4.28Å
98L98.9Very high96.7Very high0 Ų041.1 Ų41.10%020%0.204CC..EExtended strand (participates in β ladder)trans-110.7123.4-175.5178.461000110.9I43 V79 V100 I119 V120 I123 L133 L134 L135I43-L98 HydrophobicContact CB-CD1 4.22Å; I43-L98 HydrophobicContact CG2-CD1 4.27Å; I43-L98 WeakPolarHBondContact O-CA 3.46Å; V79-L98 HydrophobicContact CG1-CD1 4.34Å; L98-V100 HydrophobicContact CD1-CB 4.48Å; L98-V100 HydrophobicContact CD1-CG1 3.88Å; L98-V100 HydrophobicContact CG-CG1 4.24Å; L98-I119 HydrophobicContact CD1-CG2 4.05Å; L98-I119 HydrophobicContact CD2-CB 4.32Å; L98-I119 HydrophobicContact CD2-CG2 3.71Å; L98-V120 HydrophobicContact CD2-CG2 3.82Å; L98-I123 HydrophobicContact CD2-CD1 4.13Å; L98-L133 PolarHBondContact N-O 3.48Å; L98-L134 HydrophobicContact CB-CD1 4.3Å; L98-L134 HydrophobicContact CD2-CD1 4.05Å; L98-L134 HydrophobicContact CG-CD1 4.05Å; L98-L135 PolarHBondContact O-N 3.15Å
99L98.9Very high96.7Very high0 Ų041.7 Ų41.70%021%0.209CC..EExtended strand (participates in β ladder)trans-135.5103.8171.9176.254.9000110.9I43 G44 D45 H47 I48 L135 I137 I173 F204I43-L99 PolarHBondContact O-N 2.87Å; G44-L99 WeakPolarHBondContact CA-O 3.38Å; D45-L99 PolarHBondContact N-O 3.41Å; H47-L99 HydrophobicContact CB-CD2 3.53Å; H47-L99 HydrophobicContact CB-CG 4.25Å; I48-L99 HydrophobicContact CD1-CB 3.97Å; I48-L99 HydrophobicContact CD1-CD2 4.38Å; I48-L99 HydrophobicContact CG1-CB 4.11Å; L99-L135 HydrophobicContact CB-CB 4.15Å; L99-L135 HydrophobicContact CB-CD1 4.2Å; L99-L135 HydrophobicContact CB-CG 4.43Å; L99-L135 HydrophobicContact CD1-CB 4.1Å; L99-L135 HydrophobicContact CD2-CD1 4.36Å; L99-I137 HydrophobicContact CD1-CG1 4.5Å; L99-I173 HydrophobicContact CD2-CD1 4.19Å; L99-F204 HydrophobicContact CD2-CZ 4.45Å
100V98.6Very high96.8Very high1 Ų142.8 Ų42.81%0.00622%0.218CC..  trans-150.8154.1-179.464.70000110.5T76 V79 L98 I116 I119T76-V100 HydrophobicContact CG2-CG1 4.35Å; T76-V100 HydrophobicContact CG2-CG2 4.13Å; V79-V100 HydrophobicContact CB-CG2 4.19Å; V79-V100 HydrophobicContact CG2-CB 4.16Å; V79-V100 HydrophobicContact CG2-CG2 3.52Å; L98-V100 HydrophobicContact CD1-CB 4.48Å; L98-V100 HydrophobicContact CD1-CG1 3.88Å; L98-V100 HydrophobicContact CG-CG1 4.24Å; V100-I116 HydrophobicContact CG1-CG1 4.16Å; V100-I119 HydrophobicContact CG1-CD1 3.83Å
101G98Very high96.8Very high3 Ų344.3 Ų44.33%0.03122%0.219CC..  trans129.9-15.8175.600000113N103 N104G101-N103 PolarHBondContact O-N 3.1Å; G101-N104 VanDerWaalsContact CA-OD1 3.28Å; G101-N104 WeakPolarHBondContact CA-OD1 3.43Å; G101-N104 PolarHBondContact O-N 3.15Å; G101-N104 PolarHBondContact O-OD1 3.11Å
102S97.3Very high96.8Very high4 Ų444.1 Ų44.13%0.02822%0.218CC..THydrogen-bonded Turntrans-60-33.4-176-38.20000112.2D45 I137 R147D45-S102 WeakPolarHBondContact OD2-CB 3.43Å; D45-S102 PolarHBondContact OD2-OG 3.28Å; S102-I137 WeakPolarHBondContact OG-CG2 3.22Å; S102-R147 PolarHBondContact O-NE 3.27Å; S102-R147 PolarHBondContact O-NH2 2.98Å
103N97Very high96.8Very high26 Ų2638.1 Ų38.114%0.13919%0.191CC..THydrogen-bonded Turntrans-93.71.2-174.9-62.4-54.6000114.9D74 N75 G101 R105D74-N103 WeakPolarHBondContact O-CB 3.45Å; D74-N103 PolarHBondContact O-ND2 2.97Å; N75-N103 HydrophobicContact CB-CB 4.41Å; G101-N103 PolarHBondContact O-N 3.1Å; N103-R105 PolarHBondContact O-N 3.13Å
104N95.9Very high96.8Very high3 Ų340.1 Ų40.12%0.01621%0.205CC..  trans-78.653.8179.7-64.872.5000112.9T76 G101 N106 Q107 V112T76-N104 PolarHBondContact N-OD1 2.83Å; T76-N104 PolarHBondContact OG1-ND2 3.21Å; G101-N104 VanDerWaalsContact CA-OD1 3.28Å; G101-N104 WeakPolarHBondContact CA-OD1 3.43Å; G101-N104 PolarHBondContact O-N 3.15Å; G101-N104 PolarHBondContact O-OD1 3.11Å; N104-N106 VanDerWaalsContact C-N 3.3Å; N104-N106 PolarHBondContact O-N 3.39Å; N104-Q107 HydrophobicContact CB-CB 4.4Å; N104-Q107 PolarHBondContact ND2-OE1 2.99Å; N104-Q107 PolarHBondContact O-N 3.07Å; N104-V112 HydrophobicContact CB-CB 4.45Å; N104-V112 HydrophobicContact CB-CG1 4.22Å; N104-V112 HydrophobicContact CB-CG2 3.4Å; N104-V112 VanDerWaalsContact CB-CG2 3.4Å
105R89Confident96.7Very high152 Ų15237.8 Ų37.857%0.57420%0.196SC*.THydrogen-bonded Turntrans-65.8-25.3-165.6-60.1179.3-172.6-154.43.1115.4N103N103-R105 PolarHBondContact O-N 3.13Å
106N90.5Very high96.7Very high164 Ų16437.8 Ų37.888%0.87720%0.196SC*.THydrogen-bonded Turntrans-109.417.7-174.2-59.8-34.4000112.3N104N104-N106 VanDerWaalsContact C-N 3.3Å; N104-N106 PolarHBondContact O-N 3.39Å
107Q94.4Very high96.6Very high57 Ų5738.7 Ų38.727%0.26620%0.203SC..SBendtrans-115.8154.3-177.5-72170-89.700110.9N104 Q111 V112N104-Q107 HydrophobicContact CB-CB 4.4Å; N104-Q107 PolarHBondContact ND2-OE1 2.99Å; N104-Q107 PolarHBondContact O-N 3.07Å; Q107-Q111 VanDerWaalsContact CA-OE1 3.31Å; Q107-Q111 HydrophobicContact CB-CB 4.05Å; Q107-Q111 HydrophobicContact CG-CB 4.43Å; Q107-V112 HydrophobicContact CB-CG2 3.89Å
108T96.5Very high96.6Very high77 Ų7738.7 Ų38.747%0.47220%0.203SC..  trans-75.1160170.668.20000110.6D110 Q111 V112T108-D110 VanDerWaalsContact C-N 3.25Å; T108-D110 PolarHBondContact O-N 2.82Å; T108-Q111 PolarHBondContact O-N 3.25Å; T108-Q111 VanDerWaalsContact O-N 3.11Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.38Å; T108-Q111 PolarHBondContact OG1-N 3.19Å; T108-V112 WeakPolarHBondContact O-CG2 3.44Å; T108-V112 PolarHBondContact O-N 3.47Å; T108-V112 VanDerWaalsContact O-N 3.11Å
109A97.3Very high96.6Very high15 Ų1538.7 Ų38.712%0.12420%0.203CC..Hα-helixtrans-54.7-42.8175.500000111.9Q111 V112 L113 L150 L153 I154A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 PolarHBondContact O-N 2.97Å; A109-V112 PolarHBondContact O-N 3.05Å; A109-L113 WeakPolarHBondContact O-CB 3.5Å; A109-L113 VanDerWaalsContact O-CG 3.23Å; A109-L113 WeakPolarHBondContact O-CG 3.28Å; A109-L113 PolarHBondContact O-N 3.17Å; A109-L150 HydrophobicContact CB-CD1 4.24Å; A109-L153 HydrophobicContact CB-CB 3.84Å; A109-I154 HydrophobicContact CB-CG1 3.93Å
110D96.7Very high96.6Very high128 Ų12838.7 Ų38.768%0.68420%0.203SC*.Hα-helixtrans-61.6-38.5178-66.1-23.1000112.9T108 L113 S114T108-D110 VanDerWaalsContact C-N 3.25Å; T108-D110 PolarHBondContact O-N 2.82Å; D110-L113 PolarHBondContact O-N 2.95Å; D110-S114 WeakPolarHBondContact O-CB 3.34Å; D110-S114 PolarHBondContact O-N 2.92Å
111Q96.3Very high96.5Very high98 Ų9842.4 Ų42.446%0.45822%0.223SC..Hα-helixtrans-66.7-40.3176.3-74.4173.8-38.500111.8Q107 T108 A109 G115Q107-Q111 VanDerWaalsContact CA-OE1 3.31Å; Q107-Q111 HydrophobicContact CB-CB 4.05Å; Q107-Q111 HydrophobicContact CG-CB 4.43Å; T108-Q111 PolarHBondContact O-N 3.25Å; T108-Q111 VanDerWaalsContact O-N 3.11Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.38Å; T108-Q111 PolarHBondContact OG1-N 3.19Å; A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 PolarHBondContact O-N 2.97Å; Q111-G115 PolarHBondContact O-N 3.11Å; Q111-G115 VanDerWaalsContact O-N 3.07Å
112V97.6Very high96.4Very high0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-68.5-43.6177-174.80000110.6T76 N104 Q107 T108 A109 S114 G115 I116 I154T76-V112 HydrophobicContact CG2-CG1 4.05Å; N104-V112 HydrophobicContact CB-CB 4.45Å; N104-V112 HydrophobicContact CB-CG1 4.22Å; N104-V112 HydrophobicContact CB-CG2 3.4Å; N104-V112 VanDerWaalsContact CB-CG2 3.4Å; Q107-V112 HydrophobicContact CB-CG2 3.89Å; T108-V112 WeakPolarHBondContact O-CG2 3.44Å; T108-V112 PolarHBondContact O-N 3.47Å; T108-V112 VanDerWaalsContact O-N 3.11Å; A109-V112 PolarHBondContact O-N 3.05Å; V112-S114 VanDerWaalsContact C-N 3.35Å; V112-S114 PolarHBondContact O-N 3.42Å; V112-G115 PolarHBondContact O-N 3.33Å; V112-I116 HydrophobicContact CG1-CD1 3.96Å; V112-I116 HydrophobicContact CG1-CG1 4.42Å; V112-I116 WeakPolarHBondContact O-CG1 3.41Å; V112-I116 PolarHBondContact O-N 3.42Å; V112-I154 HydrophobicContact CB-CD1 3.96Å; V112-I154 HydrophobicContact CB-CG1 4.11Å; V112-I154 HydrophobicContact CG1-CD1 3.91Å; V112-I154 HydrophobicContact CG1-CG1 4.33Å; V112-I154 HydrophobicContact CG1-CG2 4.21Å; V112-I154 HydrophobicContact CG2-CD1 3.99Å
113L97.9Very high96.5Very high18 Ų1843.2 Ų43.29%0.09423%0.226CC..Hα-helixtrans-61.2-41.9177-72.8168000112.3A109 D110 I116 A117 I154 L158 A161A109-L113 WeakPolarHBondContact O-CB 3.5Å; A109-L113 VanDerWaalsContact O-CG 3.23Å; A109-L113 WeakPolarHBondContact O-CG 3.28Å; A109-L113 PolarHBondContact O-N 3.17Å; D110-L113 PolarHBondContact O-N 2.95Å; L113-I116 PolarHBondContact O-N 2.84Å; L113-A117 WeakPolarHBondContact O-CB 3.25Å; L113-A117 PolarHBondContact O-N 3.01Å; L113-I154 HydrophobicContact CD2-CG2 4.13Å; L113-I154 WeakPolarHBondContact CD2-O 3.35Å; L113-I154 HydrophobicContact CG-CG2 4.43Å; L113-L158 HydrophobicContact CD2-CD2 3.85Å; L113-L158 HydrophobicContact CD2-CG 4.22Å; L113-A161 HydrophobicContact CB-CB 4.13Å; L113-A161 HydrophobicContact CD2-CB 3.88Å
114S96.9Very high96.5Very high42 Ų4243.3 Ų43.329%0.29423%0.228SC..Hα-helixtrans-60.5-46.3172.8177.60000111.3D110 V112 I116 A117 A118D110-S114 WeakPolarHBondContact O-CB 3.34Å; D110-S114 PolarHBondContact O-N 2.92Å; V112-S114 VanDerWaalsContact C-N 3.35Å; V112-S114 PolarHBondContact O-N 3.42Å; S114-I116 VanDerWaalsContact C-N 3.35Å; S114-I116 PolarHBondContact O-N 2.99Å; S114-A117 PolarHBondContact O-N 2.72Å; S114-A118 WeakPolarHBondContact O-CB 3.4Å; S114-A118 PolarHBondContact O-N 3.14Å
115G97.2Very high96.6Very high5 Ų546.6 Ų46.65%0.05226%0.256CS..Hα-helixtrans-61.3-38.6175.500000113.8Q111 V112 I119Q111-G115 PolarHBondContact O-N 3.11Å; Q111-G115 VanDerWaalsContact O-N 3.07Å; V112-G115 PolarHBondContact O-N 3.33Å; G115-I119 WeakPolarHBondContact O-CD1 3.44Å; G115-I119 VanDerWaalsContact O-CG1 3.29Å; G115-I119 WeakPolarHBondContact O-CG1 3.49Å; G115-I119 PolarHBondContact O-N 3.47Å
116I98.3Very high97Very high1 Ų142.2 Ų42.21%0.00524%0.242CC..Hα-helixtrans-66.8-45.9175-69.1169.8000110.6T76 V100 V112 L113 S114 A118 I119 V120 L134 I154 L158T76-I116 HydrophobicContact CG2-CG1 3.82Å; V100-I116 HydrophobicContact CG1-CG1 4.16Å; V112-I116 HydrophobicContact CG1-CD1 3.96Å; V112-I116 HydrophobicContact CG1-CG1 4.42Å; V112-I116 WeakPolarHBondContact O-CG1 3.41Å; V112-I116 PolarHBondContact O-N 3.42Å; L113-I116 PolarHBondContact O-N 2.84Å; S114-I116 VanDerWaalsContact C-N 3.35Å; S114-I116 PolarHBondContact O-N 2.99Å; I116-A118 VanDerWaalsContact C-N 3.29Å; I116-A118 PolarHBondContact O-N 3.15Å; I116-I119 PolarHBondContact O-N 2.56Å; I116-I119 VanDerWaalsContact O-N 3.15Å; I116-V120 HydrophobicContact CG2-CG2 4.48Å; I116-V120 WeakPolarHBondContact O-CG2 3.49Å; I116-V120 PolarHBondContact O-N 2.83Å; I116-L134 HydrophobicContact CG2-CD1 3.85Å; I116-L134 HydrophobicContact CG2-CD2 3.68Å; I116-L134 HydrophobicContact CG2-CG 4.44Å; I116-I154 HydrophobicContact CD1-CG2 4.24Å; I116-L158 HydrophobicContact CD1-CD2 3.71Å; I116-L158 HydrophobicContact CG2-CD2 4.22Å
117A97.9Very high97.3Very high18 Ų1834.7 Ų34.715%0.14920%0.201CC..Hα-helixtrans-60.2-40177.800000111.6L113 S114 I119 V120 D121L113-A117 WeakPolarHBondContact O-CB 3.25Å; L113-A117 PolarHBondContact O-N 3.01Å; S114-A117 PolarHBondContact O-N 2.72Å; A117-I119 PolarHBondContact O-N 3.37Å; A117-V120 PolarHBondContact O-N 3.22Å; A117-D121 WeakPolarHBondContact O-CB 3.33Å; A117-D121 PolarHBondContact O-N 3.34Å
118A97.8Very high97.4Very high0 Ų036 Ų360%022%0.215CC..Hα-helixtrans-59.9-43.8174.100000112.4L4 D6 S8 L80 S114 I116 D121 I122L4-A118 HydrophobicContact CD1-CB 4.25Å; D6-A118 WeakPolarHBondContact OD2-CB 3.23Å; S8-A118 VanDerWaalsContact OG-CB 3.28Å; S8-A118 WeakPolarHBondContact OG-CB 3.44Å; L80-A118 HydrophobicContact CD1-CB 4.27Å; L80-A118 HydrophobicContact CD2-CB 4.17Å; S114-A118 WeakPolarHBondContact O-CB 3.4Å; S114-A118 PolarHBondContact O-N 3.14Å; I116-A118 VanDerWaalsContact C-N 3.29Å; I116-A118 PolarHBondContact O-N 3.15Å; A118-D121 PolarHBondContact O-N 3.46Å; A118-I122 WeakPolarHBondContact O-CG1 3.47Å; A118-I122 PolarHBondContact O-N 3.44Å; A118-I122 VanDerWaalsContact O-N 3.1Å
119I98.4Very high97.5Very high0 Ų036.6 Ų36.60%021%0.212CC..Hα-helixtrans-62.8-46.6176.4-64.4161.3000110.1T76 V79 L80 V83 L98 V100 G115 I116 A117 D121 I122 I123T76-I119 HydrophobicContact CG2-CD1 4.44Å; T76-I119 WeakPolarHBondContact O-CD1 3.3Å; V79-I119 HydrophobicContact CB-CD1 3.92Å; V79-I119 HydrophobicContact CG1-CD1 3.94Å; V79-I119 HydrophobicContact CG1-CG1 4.46Å; V79-I119 HydrophobicContact CG1-CG2 4.17Å; L80-I119 HydrophobicContact CB-CD1 4.49Å; L80-I119 HydrophobicContact CB-CG1 3.78Å; L80-I119 HydrophobicContact CD1-CG1 3.98Å; L80-I119 HydrophobicContact CG-CG1 4.46Å; V83-I119 HydrophobicContact CG2-CG2 4.46Å; L98-I119 HydrophobicContact CD1-CG2 4.05Å; L98-I119 HydrophobicContact CD2-CB 4.32Å; L98-I119 HydrophobicContact CD2-CG2 3.71Å; V100-I119 HydrophobicContact CG1-CD1 3.83Å; G115-I119 WeakPolarHBondContact O-CD1 3.44Å; G115-I119 VanDerWaalsContact O-CG1 3.29Å; G115-I119 WeakPolarHBondContact O-CG1 3.49Å; G115-I119 PolarHBondContact O-N 3.47Å; I116-I119 PolarHBondContact O-N 2.56Å; I116-I119 VanDerWaalsContact O-N 3.15Å; A117-I119 PolarHBondContact O-N 3.37Å; I119-D121 VanDerWaalsContact C-N 3.32Å; I119-D121 PolarHBondContact O-N 3.4Å; I119-I122 PolarHBondContact O-N 2.89Å; I119-I123 HydrophobicContact CG2-CD1 3.68Å; I119-I123 HydrophobicContact CG2-CG1 4.28Å; I119-I123 VanDerWaalsContact O-CG1 3.28Å; I119-I123 WeakPolarHBondContact O-CG1 3.02Å; I119-I123 PolarHBondContact O-N 2.76Å
120V98.5Very high97.5Very high0 Ų036 Ų360%021%0.207CC..Hα-helixtrans-61.1-40.7178.9172.40000111.5L98 I116 A117 I123 C124 I132 L134 V162 F165 C168L98-V120 HydrophobicContact CD2-CG2 3.82Å; I116-V120 HydrophobicContact CG2-CG2 4.48Å; I116-V120 WeakPolarHBondContact O-CG2 3.49Å; I116-V120 PolarHBondContact O-N 2.83Å; A117-V120 PolarHBondContact O-N 3.22Å; V120-I123 PolarHBondContact O-N 2.73Å; V120-C124 WeakPolarHBondContact O-CB 3.49Å; V120-C124 PolarHBondContact O-N 3.12Å; V120-C124 PolarHBondContact O-SG 3.14Å; V120-I132 HydrophobicContact CG1-CD1 4.09Å; V120-L134 HydrophobicContact CG2-CD2 4.45Å; V120-V162 HydrophobicContact CB-CG1 4.42Å; V120-V162 HydrophobicContact CG1-CG1 4.37Å; V120-V162 HydrophobicContact CG2-CG1 4.07Å; V120-F165 HydrophobicContact CB-CD2 4.41Å; V120-F165 HydrophobicContact CG1-CB 3.98Å; V120-F165 HydrophobicContact CG1-CD1 4.25Å; V120-F165 HydrophobicContact CG1-CD2 3.61Å; V120-F165 HydrophobicContact CG1-CE2 4.14Å; V120-F165 HydrophobicContact CG1-CG 3.68Å; V120-C168 HydrophobicContact CG1-CB 3.95Å
121D97.3Very high97.6Very high80 Ų8034 Ų3443%0.42819%0.192SC..Hα-helixtrans-58.8-49.6175.4-174.142.7000111.5A117 A118 I119 I123 C124 A125 F165A117-D121 WeakPolarHBondContact O-CB 3.33Å; A117-D121 PolarHBondContact O-N 3.34Å; A118-D121 PolarHBondContact O-N 3.46Å; I119-D121 VanDerWaalsContact C-N 3.32Å; I119-D121 PolarHBondContact O-N 3.4Å; D121-I123 PolarHBondContact O-N 3.13Å; D121-C124 PolarHBondContact O-N 3.04Å; D121-A125 WeakPolarHBondContact O-CB 3.42Å; D121-A125 PolarHBondContact O-N 2.67Å; D121-F165 HydrophobicContact CB-CE1 3.76Å; D121-F165 HydrophobicContact CB-CZ 3.72Å; D121-F165 WeakPolarHBondContact OD1-CE1 3.47Å
122I97.1Very high97.7Very high24 Ų2429.4 Ų29.412%0.12317%0.171CC..Hα-helixtrans-65.3-39.3178.5-60.4-55.8000111.6L4 L80 V83 L84 A118 I119 A125 K126L4-I122 HydrophobicContact CD1-CD1 4.49Å; L4-I122 HydrophobicContact CD1-CG1 4.36Å; L80-I122 HydrophobicContact CD1-CG1 3.97Å; V83-I122 HydrophobicContact CG1-CB 4.3Å; V83-I122 HydrophobicContact CG1-CG2 3.63Å; L84-I122 HydrophobicContact CD2-CD1 3.94Å; L84-I122 HydrophobicContact CD2-CG1 4.04Å; L84-I122 HydrophobicContact CD2-CG2 3.77Å; L84-I122 HydrophobicContact CG-CG1 4.49Å; L84-I122 HydrophobicContact CG-CG2 4.24Å; A118-I122 WeakPolarHBondContact O-CG1 3.47Å; A118-I122 PolarHBondContact O-N 3.44Å; A118-I122 VanDerWaalsContact O-N 3.1Å; I119-I122 PolarHBondContact O-N 2.89Å; I122-A125 PolarHBondContact O-N 3.01Å; I122-K126 HydrophobicContact CG2-CD 3.89Å; I122-K126 HydrophobicContact CG2-CG 4.28Å; I122-K126 WeakPolarHBondContact O-CB 3.42Å; I122-K126 WeakPolarHBondContact O-CG 3.5Å; I122-K126 PolarHBondContact O-N 2.88Å
123I98.4Very high97.8Very high0 Ų029.5 Ų29.50%017%0.171CC..Hα-helixtrans-62.1-46.4174.7-65.1167.2000109.8I43 V83 L88 V96 L98 I119 V120 D121 A125 K126 Q127 I132I43-I123 HydrophobicContact CD1-CD1 4.22Å; V83-I123 HydrophobicContact CG1-CG1 4.06Å; L88-I123 HydrophobicContact CD1-CB 4.48Å; L88-I123 HydrophobicContact CD1-CG1 3.94Å; L88-I123 HydrophobicContact CD1-CG2 4.35Å; V96-I123 HydrophobicContact CB-CG2 4.21Å; V96-I123 HydrophobicContact CG1-CD1 4.11Å; V96-I123 HydrophobicContact CG1-CG2 4.11Å; V96-I123 HydrophobicContact CG2-CG2 4.12Å; L98-I123 HydrophobicContact CD2-CD1 4.13Å; I119-I123 HydrophobicContact CG2-CD1 3.68Å; I119-I123 HydrophobicContact CG2-CG1 4.28Å; I119-I123 VanDerWaalsContact O-CG1 3.28Å; I119-I123 WeakPolarHBondContact O-CG1 3.02Å; I119-I123 PolarHBondContact O-N 2.76Å; V120-I123 PolarHBondContact O-N 2.73Å; D121-I123 PolarHBondContact O-N 3.13Å; I123-A125 VanDerWaalsContact C-N 3.29Å; I123-A125 PolarHBondContact O-N 3.08Å; I123-K126 PolarHBondContact O-N 3.04Å; I123-Q127 WeakPolarHBondContact O-CA 3.41Å; I123-Q127 WeakPolarHBondContact O-CB 3.18Å; I123-Q127 PolarHBondContact O-N 3.22Å; I123-I132 HydrophobicContact CB-CD1 3.91Å; I123-I132 HydrophobicContact CG2-CD1 3.51Å; I123-I132 HydrophobicContact CG2-CG1 3.88Å
124C97.7Very high97.8Very high27 Ų2728.7 Ų28.718%0.18217%0.167CC..Hα-helixtrans-59.4-39.7176.9-70.30000112.1V120 D121 P128 I132 F165V120-C124 WeakPolarHBondContact O-CB 3.49Å; V120-C124 PolarHBondContact O-N 3.12Å; V120-C124 PolarHBondContact O-SG 3.14Å; D121-C124 PolarHBondContact O-N 3.04Å; C124-P128 VanDerWaalsContact O-CA 3.31Å; C124-P128 WeakPolarHBondContact O-CA 3.3Å; C124-I132 WeakPolarHBondContact SG-CD1 3.37Å; C124-F165 HydrophobicContact CB-CD1 4.46Å
125A96.6Very high97.9Very high73 Ų7326.7 Ų26.760%0.60315%0.153SC*.Hα-helixtrans-69.7-38.6179.300000112.8D121 I122 I123D121-A125 WeakPolarHBondContact O-CB 3.42Å; D121-A125 PolarHBondContact O-N 2.67Å; I122-A125 PolarHBondContact O-N 3.01Å; I123-A125 VanDerWaalsContact C-N 3.29Å; I123-A125 PolarHBondContact O-N 3.08Å
126K97.2Very high98Very high60 Ų6028.7 Ų28.726%0.26116%0.16SC..Hα-helixtrans-83.1-31.5-178.9-70.2-176.6-180-65.90113.3V83 L88 E89 I122 I123 P128V83-K126 HydrophobicContact CG1-CD 4.36Å; V83-K126 VanDerWaalsContact O-CE 3.24Å; V83-K126 WeakPolarHBondContact O-CE 3.48Å; L88-K126 HydrophobicContact CB-CB 4.46Å; L88-K126 HydrophobicContact CB-CD 4.3Å; E89-K126 IonicContact OE1-NZ 2.77Å; E89-K126 PolarHBondContact OE1-NZ 2.8Å; I122-K126 HydrophobicContact CG2-CD 3.89Å; I122-K126 HydrophobicContact CG2-CG 4.28Å; I122-K126 WeakPolarHBondContact O-CB 3.42Å; I122-K126 WeakPolarHBondContact O-CG 3.5Å; I122-K126 PolarHBondContact O-N 2.88Å; I123-K126 PolarHBondContact O-N 3.04Å; K126-P128 VanDerWaalsContact C-CD 3.44Å
127Q97.8Very high98Very high5 Ų528.7 Ų28.72%0.02316%0.16CC..  trans-13061.1-172.3-60.8-63.9-25.400109.9L88 I91 I123 Q129 A130L88-Q127 HydrophobicContact CB-CG 4.16Å; L88-Q127 HydrophobicContact CD1-CG 4.07Å; L88-Q127 PolarHBondContact O-NE2 3.05Å; I91-Q127 PolarHBondContact O-NE2 2.93Å; I91-Q127 PolarHBondContact O-OE1 3.45Å; I123-Q127 WeakPolarHBondContact O-CA 3.41Å; I123-Q127 WeakPolarHBondContact O-CB 3.18Å; I123-Q127 PolarHBondContact O-N 3.22Å; Q127-Q129 PolarHBondContact O-N 2.72Å; Q127-Q129 VanDerWaalsContact O-N 3.14Å; Q127-A130 HydrophobicContact CB-CB 3.92Å; Q127-A130 WeakPolarHBondContact O-CB 3.43Å; Q127-A130 PolarHBondContact O-N 3.1Å
128P97.3Very high98Very high85 Ų8528 Ų2855%0.55215%0.154SC*.THydrogen-bonded Turntrans-63.5-21.9-17327-36.4000113.8C124 K126 N167C124-P128 VanDerWaalsContact O-CA 3.31Å; C124-P128 WeakPolarHBondContact O-CA 3.3Å; K126-P128 VanDerWaalsContact C-CD 3.44Å; P128-N167 PolarHBondContact O-ND2 3.4Å; P128-N167 VanDerWaalsContact O-ND2 3.1Å
129Q96.7Very high98.1Very high90 Ų9028.5 Ų28.542%0.42116%0.157SC..THydrogen-bonded Turntrans-80.2-23175.480-66.5-18.400113.4P93 Q127P93-Q129 PolarHBondContact O-NE2 3.19Å; Q127-Q129 PolarHBondContact O-N 2.72Å; Q127-Q129 VanDerWaalsContact O-N 3.14Å
130A98.3Very high98Very high1 Ų128.8 Ų28.81%0.00816%0.159CC..  trans-76.2143.8-173.100000111.8P93 K94 V96 Q127P93-A130 WeakPolarHBondContact O-CB 3.39Å; K94-A130 CarbonylContact O-C 3.55Å; K94-A130 WeakPolarHBondContact O-CA 3.17Å; V96-A130 HydrophobicContact CG2-CB 4.06Å; Q127-A130 HydrophobicContact CB-CB 3.92Å; Q127-A130 WeakPolarHBondContact O-CB 3.43Å; Q127-A130 PolarHBondContact O-N 3.1Å
131K98.5Very high98Very high87 Ų8729.8 Ų29.838%0.37817%0.169SC..EExtended strand (participates in β ladder)trans-85.2137.2162-65.2-62.6-175.1-175.60109.5K94 V95 V96 N167 L214K94-K131 PolarHBondContact O-N 3.06Å; V95-K131 CarbonylContact C-O 3.53Å; V95-K131 VanDerWaalsContact CA-O 3.29Å; V95-K131 WeakPolarHBondContact CA-O 3.3Å; V96-K131 PolarHBondContact N-O 2.86Å; K131-N167 HydrophobicContact CD-CB 4.42Å; K131-N167 PolarHBondContact NZ-OD1 3.3Å; K131-L214 HydrophobicContact CB-CD1 3.94Å; K131-L214 HydrophobicContact CB-CD2 4.3Å; K131-L214 HydrophobicContact CG-CD2 4.03Å
132I98.8Very high98.1Very high2 Ų229.4 Ų29.41%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-107.7122.6-178.9-53.7172.9000108.7V96 V120 I123 C124 N167 C168 E169V96-I132 CarbonylContact O-C 3.59Å; V96-I132 VanDerWaalsContact O-CA 3.27Å; V96-I132 WeakPolarHBondContact O-CA 3.22Å; V120-I132 HydrophobicContact CG1-CD1 4.09Å; I123-I132 HydrophobicContact CB-CD1 3.91Å; I123-I132 HydrophobicContact CG2-CD1 3.51Å; I123-I132 HydrophobicContact CG2-CG1 3.88Å; C124-I132 WeakPolarHBondContact SG-CD1 3.37Å; I132-N167 PolarHBondContact N-O 3.4Å; I132-C168 HydrophobicContact CB-CB 4.1Å; I132-C168 CarbonylContact O-C 3.58Å; I132-C168 WeakPolarHBondContact O-CA 3.3Å; I132-E169 PolarHBondContact O-N 2.61Å
133L98.8Very high98.1Very high1 Ų134.7 Ų34.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-101.3100.1169.5-61.5-179.5000108.6V95 V96 V97 L98 L135 E169 L171 A210 V211 L214V95-L133 HydrophobicContact CG1-CD1 3.91Å; V95-L133 HydrophobicContact CG1-CG 4Å; V96-L133 PolarHBondContact O-N 2.9Å; V97-L133 CarbonylContact C-O 3.59Å; V97-L133 WeakPolarHBondContact CA-O 3.44Å; V97-L133 HydrophobicContact CG1-CB 4.47Å; V97-L133 HydrophobicContact CG2-CB 4.32Å; V97-L133 HydrophobicContact CG2-CD1 4.28Å; L98-L133 PolarHBondContact N-O 3.48Å; L133-L135 HydrophobicContact CB-CD2 4.48Å; L133-E169 HydrophobicContact CD2-CB 4.37Å; L133-L171 HydrophobicContact CB-CD1 4.05Å; L133-L171 HydrophobicContact CD1-CD1 3.81Å; L133-L171 HydrophobicContact CD2-CD1 3.8Å; L133-L171 HydrophobicContact CD2-CG 4.11Å; L133-L171 HydrophobicContact CG-CD1 4.09Å; L133-A210 HydrophobicContact CD1-CB 3.79Å; L133-A210 HydrophobicContact CD2-CB 4.42Å; L133-V211 HydrophobicContact CD1-CG2 4.04Å; L133-L214 HydrophobicContact CD1-CD1 4.14Å; L133-L214 HydrophobicContact CD2-CD1 3.89Å; L133-L214 HydrophobicContact CG-CD1 4.1Å
134L98.9Very high98.1Very high1 Ų139 Ų391%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-85.5110175.6174.456.6000109.8L98 I116 V120 L158 V162 E169 V170 L171L98-L134 HydrophobicContact CB-CD1 4.3Å; L98-L134 HydrophobicContact CD2-CD1 4.05Å; L98-L134 HydrophobicContact CG-CD1 4.05Å; I116-L134 HydrophobicContact CG2-CD1 3.85Å; I116-L134 HydrophobicContact CG2-CD2 3.68Å; I116-L134 HydrophobicContact CG2-CG 4.44Å; V120-L134 HydrophobicContact CG2-CD2 4.45Å; L134-L158 HydrophobicContact CD2-CD2 4.02Å; L134-L158 HydrophobicContact CG-CD2 4.45Å; L134-V162 HydrophobicContact CD2-CG1 3.59Å; L134-V162 HydrophobicContact CD2-CG2 4.25Å; L134-E169 PolarHBondContact N-O 3.4Å; L134-V170 HydrophobicContact CB-CG2 4.45Å; L134-V170 HydrophobicContact CD2-CG2 4.23Å; L134-V170 HydrophobicContact CG-CG2 4.49Å; L134-V170 CarbonylContact O-C 3.57Å; L134-V170 VanDerWaalsContact O-CA 3.25Å; L134-V170 WeakPolarHBondContact O-CA 3.29Å; L134-L171 PolarHBondContact O-N 3.36Å
135L98.9Very high98.1Very high1 Ų140.1 Ų40.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-81.9135.4-177-51.5-170.3000110.8V97 L98 L99 L133 L171 I173 F204 V207V97-L135 HydrophobicContact CG1-CD1 3.6Å; V97-L135 HydrophobicContact CG1-CD2 3.95Å; V97-L135 HydrophobicContact CG1-CG 3.74Å; L98-L135 PolarHBondContact O-N 3.15Å; L99-L135 HydrophobicContact CB-CB 4.15Å; L99-L135 HydrophobicContact CB-CD1 4.2Å; L99-L135 HydrophobicContact CB-CG 4.43Å; L99-L135 HydrophobicContact CD1-CB 4.1Å; L99-L135 HydrophobicContact CD2-CD1 4.36Å; L133-L135 HydrophobicContact CB-CD2 4.48Å; L135-L171 HydrophobicContact CD2-CB 3.87Å; L135-L171 HydrophobicContact CD2-CD1 4.19Å; L135-I173 HydrophobicContact CB-CD1 4.14Å; L135-I173 HydrophobicContact CB-CG1 4.35Å; L135-I173 HydrophobicContact CB-CG2 4.44Å; L135-I173 HydrophobicContact CD1-CD1 4.14Å; L135-I173 HydrophobicContact CD1-CG2 4.33Å; L135-I173 HydrophobicContact CD2-CG2 4.08Å; L135-F204 HydrophobicContact CD1-CE1 4Å; L135-F204 HydrophobicContact CD1-CZ 3.87Å; L135-V207 HydrophobicContact CD1-CG2 4.03Å; L135-V207 HydrophobicContact CD2-CG2 3.8Å
136K98.8Very high98.1Very high47 Ų4745.1 Ų45.120%0.20423%0.227CC..PPolyproline II helixtrans-59.7142.9165.9-69.2-162.6-174.6167.80110.3N155 L158 V170 L171 D172 I173 T174K136-N155 HydrophobicContact CD-CB 4.14Å; K136-L158 HydrophobicContact CB-CD1 4.34Å; K136-L158 HydrophobicContact CG-CD1 3.92Å; K136-V170 HydrophobicContact CG-CG1 3.94Å; K136-L171 PolarHBondContact N-O 3.21Å; K136-D172 HydrophobicContact CD-CB 3.98Å; K136-D172 WeakPolarHBondContact CD-OD2 3.22Å; K136-D172 HydrophobicContact CG-CB 4.49Å; K136-D172 IonicContact NZ-OD2 3.83Å; K136-D172 PolarHBondContact NZ-OD2 3.18Å; K136-I173 VanDerWaalsContact O-CG1 3.23Å; K136-I173 WeakPolarHBondContact O-CG1 3.2Å; K136-T174 HydrophobicContact CB-CG2 3.78Å
137I98.8Very high98.1Very high1 Ų144.7 Ų44.71%0.00522%0.224CC..PPolyproline II helixtrans-73.1127.7-177.2-58.2165000109.3L99 S102 V151 I154 N155 T174L99-I137 HydrophobicContact CD1-CG1 4.5Å; S102-I137 WeakPolarHBondContact OG-CG2 3.22Å; I137-V151 HydrophobicContact CB-CG1 3.98Å; I137-V151 HydrophobicContact CG2-CG1 3.95Å; I137-V151 HydrophobicContact CG2-CG2 3.99Å; I137-V151 WeakPolarHBondContact O-CG1 3.28Å; I137-I154 HydrophobicContact CD1-CB 4.37Å; I137-I154 HydrophobicContact CD1-CD1 4.38Å; I137-I154 HydrophobicContact CD1-CG2 3.71Å; I137-N155 PolarHBondContact N-OD1 3.39Å; I137-N155 PolarHBondContact O-ND2 3.22Å; I137-T174 WeakPolarHBondContact O-CG2 3.39Å
138P98.5Very high98Very high2 Ų245.2 Ų45.21%0.01323%0.226CC..PPolyproline II helixtrans-56.1146.5175.3-27.235.6000113I173 L177 M189P138-I173 HydrophobicContact CG-CD1 4Å; P138-L177 HydrophobicContact CB-CD1 4.19Å; P138-M189 HydrophobicContact CB-CE 3.92Å
139P98.1Very high98Very high12 Ų1246.4 Ų46.48%0.07822%0.224CC..PPolyproline II helixtrans-66.2163.5174.432-36.6000110.8R148 L177 V178 I184 M189P139-R148 HydrophobicContact CB-CG 4.19Å; P139-L177 HydrophobicContact CG-CB 3.86Å; P139-L177 HydrophobicContact CG-CD1 4.45Å; P139-V178 HydrophobicContact CB-CG2 3.8Å; P139-V178 HydrophobicContact CG-CG2 3.58Å; P139-I184 HydrophobicContact CB-CD1 3.94Å; P139-I184 HydrophobicContact CG-CD1 3.96Å; P139-M189 HydrophobicContact CG-CE 4.07Å; P139-M189 VanDerWaalsContact O-CE 3.22Å; P139-M189 WeakPolarHBondContact O-CE 3.16Å; P139-M189 VanDerWaalsContact O-SD 3.33Å
140C97.7Very high98.1Very high5 Ų543.6 Ų43.63%0.03421%0.212CC..  trans-142.5162.6178.873.40000113.9N145 R147 R148 Y192 F193C140-N145 PolarHBondContact O-ND2 2.91Å; C140-R147 VanDerWaalsContact SG-CD 3.56Å; C140-R147 VanDerWaalsContact SG-CG 3.57Å; C140-R148 PolarHBondContact O-NE 2.9Å; C140-Y192 CarbonylContact C-O 3.54Å; C140-Y192 WeakPolarHBondContact CA-O 3.22Å; C140-F193 HydrophobicContact CB-CD2 3.74Å
141G97.9Very high98.1Very high21 Ų2144 Ų4422%0.21621%0.214CC..SBendtrans77.1150-175.900000112.4K143 R148 I184 Y192G141-K143 PolarHBondContact O-N 3.26Å; G141-R148 PolarHBondContact O-NH2 2.77Å; G141-I184 VanDerWaalsContact O-CD1 3.28Å; G141-I184 WeakPolarHBondContact O-CD1 3.44Å; G141-Y192 PolarHBondContact N-O 2.84Å
142H98.5Very high98.1Very high72 Ų7245.7 Ų45.733%0.33323%0.225SC..SBendtrans-60.1-47.4178.6175.2-156.5000111.3R148 T183 I184 Y192H142-R148 PolarHBondContact O-NH2 2.77Å; H142-T183 CarbonylContact O-C 3.52Å; H142-T183 WeakPolarHBondContact O-CA 3.23Å; H142-I184 PolarHBondContact CD2-O 2.91Å; H142-I184 PolarHBondContact O-N 3.39Å; H142-Y192 HydrophobicContact CB-CD1 3.78Å; H142-Y192 HydrophobicContact CB-CD2 3.91Å; H142-Y192 HydrophobicContact CB-CE1 3.74Å; H142-Y192 HydrophobicContact CB-CE2 3.86Å; H142-Y192 HydrophobicContact CB-CG 3.85Å; H142-Y192 AromaticContact CG-CE1 3.91Å; H142-Y192 AromaticContact CG-CZ 3.93Å
143K98.4Very high98Very high136 Ų13651 Ų5159%0.59125%0.253SS*.SBendtrans-109.5163.5177.6-67.3-175178.3-175.20110.9G141 N145 R148G141-K143 PolarHBondContact O-N 3.26Å; K143-N145 PolarHBondContact O-N 2.88Å; K143-N145 PolarHBondContact O-ND2 3.21Å; K143-R148 VanDerWaalsContact C-NH2 3.33Å; K143-R148 PolarHBondContact O-NH2 3.19Å
144P98.1Very high98Very high90 Ų9051 Ų5158%0.58425%0.253SS*.  trans-48.4139.3171-2836000111.9
145N97.7Very high98Very high50 Ų5051.8 Ų51.827%0.26726%0.257SS..  trans-157.3165.2-177.161.776.3000109.8C140 K143 R147 R148 E149C140-N145 PolarHBondContact O-ND2 2.91Å; K143-N145 PolarHBondContact O-N 2.88Å; K143-N145 PolarHBondContact O-ND2 3.21Å; N145-R147 PolarHBondContact O-N 2.91Å; N145-R147 VanDerWaalsContact O-N 3.15Å; N145-R147 WeakPolarHBondContact OD1-CA 3.3Å; N145-R147 WeakPolarHBondContact OD1-CB 3.44Å; N145-R147 PolarHBondContact OD1-N 3.3Å; N145-R148 WeakPolarHBondContact O-CB 3.28Å; N145-R148 PolarHBondContact O-N 3.46Å; N145-R148 PolarHBondContact OD1-N 2.85Å; N145-E149 PolarHBondContact O-N 2.84Å
146K96.5Very high98Very high179 Ų17955.9 Ų55.978%0.77829%0.29SS*.Hα-helixtrans-54.9-34.8-178.3-66.4-173.7176.7-175.70114.1E149 L150K146-E149 PolarHBondContact O-N 3.32Å; K146-L150 PolarHBondContact O-N 2.9Å
147R96.1Very high98Very high51 Ų5154.4 Ų54.419%0.19229%0.289CS..Hα-helixtrans-71.2-40.6179.1-171.5179.2-179.7-1633.3110.9S102 C140 N145 E149 L150 V151 F193S102-R147 PolarHBondContact O-NE 3.27Å; S102-R147 PolarHBondContact O-NH2 2.98Å; C140-R147 VanDerWaalsContact SG-CD 3.56Å; C140-R147 VanDerWaalsContact SG-CG 3.57Å; N145-R147 PolarHBondContact O-N 2.91Å; N145-R147 VanDerWaalsContact O-N 3.15Å; N145-R147 WeakPolarHBondContact OD1-CA 3.3Å; N145-R147 WeakPolarHBondContact OD1-CB 3.44Å; N145-R147 PolarHBondContact OD1-N 3.3Å; R147-E149 VanDerWaalsContact C-N 3.32Å; R147-L150 PolarHBondContact O-N 3.14Å; R147-V151 WeakPolarHBondContact O-CG2 3.45Å; R147-V151 PolarHBondContact O-N 3.43Å; R147-F193 VanDerWaalsContact CZ-CE2 3.44Å
148R97.4Very high98Very high15 Ų1554.4 Ų54.46%0.05729%0.289CS..Hα-helixtrans-62.1-41173.2-163.4-169.9-67.4-177.3-3.5111.5P139 C140 G141 H142 K143 N145 V151 M152 G182P139-R148 HydrophobicContact CB-CG 4.19Å; C140-R148 PolarHBondContact O-NE 2.9Å; G141-R148 PolarHBondContact O-NH2 2.77Å; H142-R148 PolarHBondContact O-NH2 2.77Å; K143-R148 VanDerWaalsContact C-NH2 3.33Å; K143-R148 PolarHBondContact O-NH2 3.19Å; N145-R148 WeakPolarHBondContact O-CB 3.28Å; N145-R148 PolarHBondContact O-N 3.46Å; N145-R148 PolarHBondContact OD1-N 2.85Å; R148-V151 PolarHBondContact O-N 2.86Å; R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 3.1Å; R148-G182 PolarHBondContact NH1-O 3.5Å
149E97.5Very high98Very high110 Ų11058.8 Ų58.851%0.51432%0.315SS..Hα-helixtrans-60.4-44.9174.8-68.5164.4-167.200111.7N145 K146 R147 M152 L153N145-E149 PolarHBondContact O-N 2.84Å; K146-E149 PolarHBondContact O-N 3.32Å; R147-E149 VanDerWaalsContact C-N 3.32Å; E149-M152 WeakPolarHBondContact O-CB 3.47Å; E149-M152 PolarHBondContact O-N 3.19Å; E149-L153 WeakPolarHBondContact O-CG 3.48Å; E149-L153 PolarHBondContact O-N 2.83Å
150L97.8Very high98Very high32 Ų3265.7 Ų65.717%0.16834%0.344CS..Hα-helixtrans-59.7-46.6174.3176.261.5000111.8A109 K146 R147 M152 L153 I154A109-L150 HydrophobicContact CB-CD1 4.24Å; K146-L150 PolarHBondContact O-N 2.9Å; R147-L150 PolarHBondContact O-N 3.14Å; L150-M152 VanDerWaalsContact C-N 3.3Å; L150-M152 PolarHBondContact O-N 3.23Å; L150-L153 PolarHBondContact O-N 3.29Å; L150-L153 VanDerWaalsContact O-N 3.15Å; L150-I154 HydrophobicContact CD1-CD1 4.06Å; L150-I154 HydrophobicContact CD1-CG1 4.28Å; L150-I154 HydrophobicContact CG-CD1 3.83Å; L150-I154 WeakPolarHBondContact O-CG1 3.39Å; L150-I154 PolarHBondContact O-N 3.17Å
151V98.2Very high98Very high8 Ų866.7 Ų66.75%0.04835%0.352CS..Hα-helixtrans-58.4-41.6176.5164.40000111.5I137 R147 R148 L153 I154 N155I137-V151 HydrophobicContact CB-CG1 3.98Å; I137-V151 HydrophobicContact CG2-CG1 3.95Å; I137-V151 HydrophobicContact CG2-CG2 3.99Å; I137-V151 WeakPolarHBondContact O-CG1 3.28Å; R147-V151 WeakPolarHBondContact O-CG2 3.45Å; R147-V151 PolarHBondContact O-N 3.43Å; R148-V151 PolarHBondContact O-N 2.86Å; V151-L153 PolarHBondContact O-N 3.1Å; V151-I154 PolarHBondContact O-N 3.01Å; V151-N155 WeakPolarHBondContact O-CB 3.2Å; V151-N155 PolarHBondContact O-N 3.43Å
152M98.1Very high98Very high123 Ų12365.9 Ų65.961%0.60634%0.344SS*.Hα-helixtrans-61.5-42.5175.8-71.5173.263.900112.2R148 E149 L150 N155 A156R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 3.1Å; E149-M152 WeakPolarHBondContact O-CB 3.47Å; E149-M152 PolarHBondContact O-N 3.19Å; L150-M152 VanDerWaalsContact C-N 3.3Å; L150-M152 PolarHBondContact O-N 3.23Å; M152-N155 PolarHBondContact O-N 3.02Å; M152-A156 WeakPolarHBondContact O-CB 3.28Å; M152-A156 PolarHBondContact O-N 3.26Å
153L98.4Very high98Very high114 Ų11468.2 Ų68.260%0.59735%0.354SS*.Hα-helixtrans-65.3-41.4177-67.9171.8000112.1A109 E149 L150 V151 A156 G157A109-L153 HydrophobicContact CB-CB 3.84Å; E149-L153 WeakPolarHBondContact O-CG 3.48Å; E149-L153 PolarHBondContact O-N 2.83Å; L150-L153 PolarHBondContact O-N 3.29Å; L150-L153 VanDerWaalsContact O-N 3.15Å; V151-L153 PolarHBondContact O-N 3.1Å; L153-A156 PolarHBondContact O-N 3.05Å; L153-G157 PolarHBondContact O-N 2.74Å
154I98.6Very high97.9Very high1 Ų168.8 Ų68.81%0.00536%0.359CS..Hα-helixtrans-61.8-52.7174.8-63.8159.5000109.4A109 V112 L113 I116 I137 L150 V151 A156 G157 L158A109-I154 HydrophobicContact CB-CG1 3.93Å; V112-I154 HydrophobicContact CB-CD1 3.96Å; V112-I154 HydrophobicContact CB-CG1 4.11Å; V112-I154 HydrophobicContact CG1-CD1 3.91Å; V112-I154 HydrophobicContact CG1-CG1 4.33Å; V112-I154 HydrophobicContact CG1-CG2 4.21Å; V112-I154 HydrophobicContact CG2-CD1 3.99Å; L113-I154 HydrophobicContact CD2-CG2 4.13Å; L113-I154 WeakPolarHBondContact CD2-O 3.35Å; L113-I154 HydrophobicContact CG-CG2 4.43Å; I116-I154 HydrophobicContact CD1-CG2 4.24Å; I137-I154 HydrophobicContact CD1-CB 4.37Å; I137-I154 HydrophobicContact CD1-CD1 4.38Å; I137-I154 HydrophobicContact CD1-CG2 3.71Å; L150-I154 HydrophobicContact CD1-CD1 4.06Å; L150-I154 HydrophobicContact CD1-CG1 4.28Å; L150-I154 HydrophobicContact CG-CD1 3.83Å; L150-I154 WeakPolarHBondContact O-CG1 3.39Å; L150-I154 PolarHBondContact O-N 3.17Å; V151-I154 PolarHBondContact O-N 3.01Å; I154-A156 PolarHBondContact O-N 3.23Å; I154-G157 WeakPolarHBondContact O-CA 3.47Å; I154-G157 PolarHBondContact O-N 3.06Å; I154-L158 HydrophobicContact CG2-CD2 4.33Å; I154-L158 PolarHBondContact O-N 3.38Å
155N98.7Very high97.9Very high18 Ų1866.3 Ų66.310%0.09634%0.339CS..Hα-helixtrans-58.3-34.9-178.7-78.2-9.6000113.2K136 I137 V151 M152 G157K136-N155 HydrophobicContact CD-CB 4.14Å; I137-N155 PolarHBondContact N-OD1 3.39Å; I137-N155 PolarHBondContact O-ND2 3.22Å; V151-N155 WeakPolarHBondContact O-CB 3.2Å; V151-N155 PolarHBondContact O-N 3.43Å; M152-N155 PolarHBondContact O-N 3.02Å; N155-G157 VanDerWaalsContact C-N 3.26Å; N155-G157 PolarHBondContact O-N 2.88Å
156A98.6Very high97.7Very high86 Ų8669.8 Ų69.871%0.71136%0.364SS*.Hα-helixtrans-67.7-24.3175.300000113.3M152 L153 I154M152-A156 WeakPolarHBondContact O-CB 3.28Å; M152-A156 PolarHBondContact O-N 3.26Å; L153-A156 PolarHBondContact O-N 3.05Å; I154-A156 PolarHBondContact O-N 3.23Å
157G98.6Very high97.7Very high16 Ų1663.5 Ų63.517%0.16534%0.339CS..Hα-helixtrans-95.5-13.4-179.100000115.4L153 I154 N155 V159 K160 A161L153-G157 PolarHBondContact O-N 2.74Å; I154-G157 WeakPolarHBondContact O-CA 3.47Å; I154-G157 PolarHBondContact O-N 3.06Å; N155-G157 VanDerWaalsContact C-N 3.26Å; N155-G157 PolarHBondContact O-N 2.88Å; G157-V159 PolarHBondContact O-N 3.27Å; G157-K160 PolarHBondContact O-N 2.94Å; G157-K160 VanDerWaalsContact O-N 3.16Å; G157-A161 PolarHBondContact O-N 2.77Å
158L98.8Very high97.8Very high1 Ų162 Ų621%0.00534%0.336CS..Hα-helixtrans-56.3-49.8-171.1-73170.3000113L113 I116 L134 K136 I154 K160 A161 V162 V170L113-L158 HydrophobicContact CD2-CD2 3.85Å; L113-L158 HydrophobicContact CD2-CG 4.22Å; I116-L158 HydrophobicContact CD1-CD2 3.71Å; I116-L158 HydrophobicContact CG2-CD2 4.22Å; L134-L158 HydrophobicContact CD2-CD2 4.02Å; L134-L158 HydrophobicContact CG-CD2 4.45Å; K136-L158 HydrophobicContact CB-CD1 4.34Å; K136-L158 HydrophobicContact CG-CD1 3.92Å; I154-L158 HydrophobicContact CG2-CD2 4.33Å; I154-L158 PolarHBondContact O-N 3.38Å; L158-K160 VanDerWaalsContact C-N 3.28Å; L158-K160 PolarHBondContact O-N 3Å; L158-A161 WeakPolarHBondContact O-CB 3.46Å; L158-A161 PolarHBondContact O-N 3.26Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 3.33Å; L158-V162 VanDerWaalsContact O-N 3.1Å; L158-V170 HydrophobicContact CB-CG1 4.01Å; L158-V170 HydrophobicContact CB-CG2 4.11Å; L158-V170 HydrophobicContact CD1-CG1 4.29Å
159V98.6Very high97.8Very high95 Ų9566.7 Ų66.758%0.57636%0.359SS*.Hα-helixtrans-57.1-44.3-179.6175.10000111G157 V162 Q163 V170G157-V159 PolarHBondContact O-N 3.27Å; V159-V162 PolarHBondContact O-N 3.37Å; V159-Q163 WeakPolarHBondContact O-CB 3.5Å; V159-Q163 PolarHBondContact O-N 3.12Å; V159-V170 HydrophobicContact CG2-CB 3.98Å; V159-V170 HydrophobicContact CG2-CG1 4.33Å; V159-V170 HydrophobicContact CG2-CG2 4.01Å
160K98.3Very high97.9Very high157 Ų15762.7 Ų62.768%0.68334%0.342SS*.Hα-helixtrans-67.2-38.3178-175.8-179.4176.3-174.40111.7G157 L158 V162 Q163G157-K160 PolarHBondContact O-N 2.94Å; G157-K160 VanDerWaalsContact O-N 3.16Å; L158-K160 VanDerWaalsContact C-N 3.28Å; L158-K160 PolarHBondContact O-N 3Å; K160-V162 VanDerWaalsContact C-N 3.27Å; K160-V162 PolarHBondContact O-N 2.76Å; K160-Q163 VanDerWaalsContact O-CG 3.28Å; K160-Q163 WeakPolarHBondContact O-CG 3.38Å
161A97.8Very high97.9Very high25 Ų2561.8 Ų61.821%0.20734%0.337CS..Hα-helixtrans-65.4-31.2-179.200000112.6L113 G157 L158L113-A161 HydrophobicContact CB-CB 4.13Å; L113-A161 HydrophobicContact CD2-CB 3.88Å; G157-A161 PolarHBondContact O-N 2.77Å; L158-A161 WeakPolarHBondContact O-CB 3.46Å; L158-A161 PolarHBondContact O-N 3.26Å
162V98Very high97.9Very high5 Ų564 Ų643%0.0335%0.349CS..Hα-helixtrans-109.27.1-178.2-54.40000114.9V120 L134 L158 V159 K160 H164 F165 V170V120-V162 HydrophobicContact CB-CG1 4.42Å; V120-V162 HydrophobicContact CG1-CG1 4.37Å; V120-V162 HydrophobicContact CG2-CG1 4.07Å; L134-V162 HydrophobicContact CD2-CG1 3.59Å; L134-V162 HydrophobicContact CD2-CG2 4.25Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 3.33Å; L158-V162 VanDerWaalsContact O-N 3.1Å; V159-V162 PolarHBondContact O-N 3.37Å; K160-V162 VanDerWaalsContact C-N 3.27Å; K160-V162 PolarHBondContact O-N 2.76Å; V162-H164 PolarHBondContact O-N 3.45Å; V162-F165 HydrophobicContact CB-CD2 4Å; V162-F165 HydrophobicContact CG1-CD2 4.44Å; V162-F165 PolarHBondContact O-N 3.32Å; V162-V170 HydrophobicContact CG2-CG2 3.73Å
163Q97.5Very high98Very high120 Ų12058.3 Ų58.356%0.56132%0.321SS*.THydrogen-bonded Turntrans-57.7-17.8-175.171.8-173.9-5.100115.2V159 K160V159-Q163 WeakPolarHBondContact O-CB 3.5Å; V159-Q163 PolarHBondContact O-N 3.12Å; K160-Q163 VanDerWaalsContact O-CG 3.28Å; K160-Q163 WeakPolarHBondContact O-CG 3.38Å
164H96.7Very high98Very high148 Ų14854.4 Ų54.469%0.68530%0.302SS*.THydrogen-bonded Turntrans-92.9-2.8179.3-61.4-58.2000113.5V162 P166V162-H164 PolarHBondContact O-N 3.45Å; H164-P166 VanDerWaalsContact O-CD 3.3Å; H164-P166 WeakPolarHBondContact O-CD 3.48Å
165F97.4Very high97.8Very high38 Ų3862.1 Ų62.117%0.16734%0.338CS..  trans-105.794.4178.2-55.9-73.6000109.8V120 D121 C124 V162 N167 C168V120-F165 HydrophobicContact CB-CD2 4.41Å; V120-F165 HydrophobicContact CG1-CB 3.98Å; V120-F165 HydrophobicContact CG1-CD1 4.25Å; V120-F165 HydrophobicContact CG1-CD2 3.61Å; V120-F165 HydrophobicContact CG1-CE2 4.14Å; V120-F165 HydrophobicContact CG1-CG 3.68Å; D121-F165 HydrophobicContact CB-CE1 3.76Å; D121-F165 HydrophobicContact CB-CZ 3.72Å; D121-F165 WeakPolarHBondContact OD1-CE1 3.47Å; C124-F165 HydrophobicContact CB-CD1 4.46Å; V162-F165 HydrophobicContact CB-CD2 4Å; V162-F165 HydrophobicContact CG1-CD2 4.44Å; V162-F165 PolarHBondContact O-N 3.32Å; F165-N167 PolarHBondContact O-N 3.22Å; F165-N167 VanDerWaalsContact O-N 3.09Å; F165-C168 HydrophobicContact CB-CB 3.85Å; F165-C168 WeakPolarHBondContact O-CB 3.36Å; F165-C168 PolarHBondContact O-N 2.87Å
166P95Very high97.7Very high123 Ų12363.4 Ų63.480%0.79936%0.355SS*.THydrogen-bonded Turntrans-67-14.3-172.927.6-36.5000114.4H164H164-P166 VanDerWaalsContact O-CD 3.3Å; H164-P166 WeakPolarHBondContact O-CD 3.48Å
167N95.4Very high97.6Very high47 Ų4759.4 Ų59.425%0.25132%0.322SS..THydrogen-bonded Turntrans-90.50.1173.9-74.8-17.4000113.2P128 K131 I132 F165P128-N167 PolarHBondContact O-ND2 3.4Å; P128-N167 VanDerWaalsContact O-ND2 3.1Å; K131-N167 HydrophobicContact CD-CB 4.42Å; K131-N167 PolarHBondContact NZ-OD1 3.3Å; I132-N167 PolarHBondContact N-O 3.4Å; F165-N167 PolarHBondContact O-N 3.22Å; F165-N167 VanDerWaalsContact O-N 3.09Å
168C98.6Very high97.6Very high19 Ų1961.3 Ų61.313%0.12833%0.33CS..EExtended strand (participates in β ladder)trans-109.4127.3-178.4-171.40000111.5V120 I132 F165V120-C168 HydrophobicContact CG1-CB 3.95Å; I132-C168 HydrophobicContact CB-CB 4.1Å; I132-C168 CarbonylContact O-C 3.58Å; I132-C168 WeakPolarHBondContact O-CA 3.3Å; F165-C168 HydrophobicContact CB-CB 3.85Å; F165-C168 WeakPolarHBondContact O-CB 3.36Å; F165-C168 PolarHBondContact O-N 2.87Å
169E98.2Very high97.5Very high114 Ų11462.9 Ų62.953%0.53335%0.347SS..EExtended strand (participates in β ladder)trans-119.2141.5174.2-179.1175.4179.800110.3I132 L133 L134 L171I132-E169 PolarHBondContact O-N 2.61Å; L133-E169 HydrophobicContact CD2-CB 4.37Å; L134-E169 PolarHBondContact N-O 3.4Å; E169-L171 HydrophobicContact CG-CD2 4.35Å
170V98.8Very high97.4Very high27 Ų2765 Ų6516%0.16437%0.366CS..EExtended strand (participates in β ladder)trans-94.7120.4175.7-178.90000110L134 K136 L158 V159 V162L134-V170 HydrophobicContact CB-CG2 4.45Å; L134-V170 HydrophobicContact CD2-CG2 4.23Å; L134-V170 HydrophobicContact CG-CG2 4.49Å; L134-V170 CarbonylContact O-C 3.57Å; L134-V170 VanDerWaalsContact O-CA 3.25Å; L134-V170 WeakPolarHBondContact O-CA 3.29Å; K136-V170 HydrophobicContact CG-CG1 3.94Å; L158-V170 HydrophobicContact CB-CG1 4.01Å; L158-V170 HydrophobicContact CB-CG2 4.11Å; L158-V170 HydrophobicContact CD1-CG1 4.29Å; V159-V170 HydrophobicContact CG2-CB 3.98Å; V159-V170 HydrophobicContact CG2-CG1 4.33Å; V159-V170 HydrophobicContact CG2-CG2 4.01Å; V162-V170 HydrophobicContact CG2-CG2 3.73Å
171L98.3Very high97.3Very high12 Ų1262.9 Ų62.96%0.06336%0.362CS..EExtended strand (participates in β ladder)trans-103.5133.3175.9-65.3-175.6000111.9L133 L134 L135 K136 E169 I173 A210L133-L171 HydrophobicContact CB-CD1 4.05Å; L133-L171 HydrophobicContact CD1-CD1 3.81Å; L133-L171 HydrophobicContact CD2-CD1 3.8Å; L133-L171 HydrophobicContact CD2-CG 4.11Å; L133-L171 HydrophobicContact CG-CD1 4.09Å; L134-L171 PolarHBondContact O-N 3.36Å; L135-L171 HydrophobicContact CD2-CB 3.87Å; L135-L171 HydrophobicContact CD2-CD1 4.19Å; K136-L171 PolarHBondContact N-O 3.21Å; E169-L171 HydrophobicContact CG-CD2 4.35Å; L171-I173 PolarHBondContact O-N 3.43Å; L171-A210 HydrophobicContact CD1-CB 3.75Å
172D98.6Very high97.3Very high55 Ų5562.7 Ų62.729%0.29436%0.362SS..  trans-89.5102.7175.6-161.8-21.5000111.2K136 T174K136-D172 HydrophobicContact CD-CB 3.98Å; K136-D172 WeakPolarHBondContact CD-OD2 3.22Å; K136-D172 HydrophobicContact CG-CB 4.49Å; K136-D172 IonicContact NZ-OD2 3.83Å; K136-D172 PolarHBondContact NZ-OD2 3.18Å; D172-T174 WeakPolarHBondContact OD1-CB 3.21Å; D172-T174 PolarHBondContact OD1-N 3.37Å; D172-T174 PolarHBondContact OD1-OG1 2.88Å
173I98.6Very high97.3Very high3 Ų363 Ų632%0.01536%0.364CS..  trans-97.28.7174.966.1159.9000112.6L99 L135 K136 P138 L171 A203 F204 I206 V207L99-I173 HydrophobicContact CD2-CD1 4.19Å; L135-I173 HydrophobicContact CB-CD1 4.14Å; L135-I173 HydrophobicContact CB-CG1 4.35Å; L135-I173 HydrophobicContact CB-CG2 4.44Å; L135-I173 HydrophobicContact CD1-CD1 4.14Å; L135-I173 HydrophobicContact CD1-CG2 4.33Å; L135-I173 HydrophobicContact CD2-CG2 4.08Å; K136-I173 VanDerWaalsContact O-CG1 3.23Å; K136-I173 WeakPolarHBondContact O-CG1 3.2Å; P138-I173 HydrophobicContact CG-CD1 4Å; L171-I173 PolarHBondContact O-N 3.43Å; I173-A203 HydrophobicContact CB-CB 4.17Å; I173-A203 WeakPolarHBondContact CB-O 2.96Å; I173-A203 VanDerWaalsContact CG2-O 3.28Å; I173-A203 WeakPolarHBondContact CG2-O 3.33Å; I173-A203 WeakPolarHBondContact O-CB 3.28Å; I173-F204 HydrophobicContact CD1-CE2 4Å; I173-F204 HydrophobicContact CD1-CZ 4.46Å; I173-I206 HydrophobicContact CG2-CG2 3.99Å; I173-V207 HydrophobicContact CG2-CG2 3.54Å
174T98.2Very high97.4Very high32 Ų3257.3 Ų57.320%0.19634%0.338CS..  trans-95.8-13.2-16972.40000113.6K136 I137 D172 G176 L177K136-T174 HydrophobicContact CB-CG2 3.78Å; I137-T174 WeakPolarHBondContact O-CG2 3.39Å; D172-T174 WeakPolarHBondContact OD1-CB 3.21Å; D172-T174 PolarHBondContact OD1-N 3.37Å; D172-T174 PolarHBondContact OD1-OG1 2.88Å; T174-G176 PolarHBondContact O-N 2.92Å; T174-L177 WeakPolarHBondContact O-CB 3.31Å; T174-L177 PolarHBondContact O-N 3.2Å
175E95.6Very high97.4Very high164 Ų16455.4 Ų55.477%0.76633%0.329SS*.THydrogen-bonded Turntrans-60133.7-179.2-169.6171.4176.900111.4L177E175-L177 PolarHBondContact O-N 3.48Å
176G95.4Very high97.5Very high45 Ų4560.1 Ų60.146%0.46435%0.346SS..THydrogen-bonded Turntrans73.23.1178.400000116.1T174 K202T174-G176 PolarHBondContact O-N 2.92Å; G176-K202 WeakPolarHBondContact O-CD 3.41Å; G176-K202 PolarHBondContact O-NZ 3.16Å
177L98Very high97.6Very high1 Ų157.4 Ų57.41%0.00533%0.333CS..SBendtrans-83.5-18.2173.2-65.5179.1000113.5P138 P139 T174 E175 D188 M189 L195 K202P138-L177 HydrophobicContact CB-CD1 4.19Å; P139-L177 HydrophobicContact CG-CB 3.86Å; P139-L177 HydrophobicContact CG-CD1 4.45Å; T174-L177 WeakPolarHBondContact O-CB 3.31Å; T174-L177 PolarHBondContact O-N 3.2Å; E175-L177 PolarHBondContact O-N 3.48Å; L177-D188 HydrophobicContact CD2-CB 4.19Å; L177-M189 HydrophobicContact CB-CE 4.26Å; L177-M189 HydrophobicContact CD1-CE 3.84Å; L177-M189 HydrophobicContact CD2-CE 4.4Å; L177-M189 HydrophobicContact CG-CE 4.42Å; L177-L195 HydrophobicContact CD1-CD2 4.12Å; L177-L195 HydrophobicContact CD2-CD2 3.82Å; L177-K202 HydrophobicContact CD2-CD 4.14Å
178V98Very high97.7Very high56 Ų5655.8 Ų55.834%0.33933%0.325SS..SBendtrans-113.4123.9173.3-171.40000108.6P139 I184P139-V178 HydrophobicContact CB-CG2 3.8Å; P139-V178 HydrophobicContact CG-CG2 3.58Å; V178-I184 HydrophobicContact CG2-CG1 4.26Å
179G96.7Very high97.7Very high35 Ų3554.9 Ų54.936%0.36132%0.319SS..  trans-66164.2175.100000112.6D181 G182 T183G179-D181 PolarHBondContact O-N 2.86Å; G179-D181 VanDerWaalsContact O-N 3.15Å; G179-G182 WeakPolarHBondContact O-CA 3.29Å; G179-G182 PolarHBondContact O-N 2.85Å; G179-T183 PolarHBondContact N-O 2.99Å
180S95.9Very high97.7Very high140 Ų14055 Ų5598%0.97932%0.315SS*.THydrogen-bonded Turntrans-62.7-20.6179.8550000114G182S180-G182 VanDerWaalsContact C-N 3.26Å
181D97Very high97.7Very high112 Ų11256.9 Ų56.960%0.59932%0.324SS*.THydrogen-bonded Turntrans-86.43.617472.3-16.6000113.1G179 T183G179-D181 PolarHBondContact O-N 2.86Å; G179-D181 VanDerWaalsContact O-N 3.15Å; D181-T183 VanDerWaalsContact C-N 3.32Å; D181-T183 VanDerWaalsContact CG-OG1 3.24Å; D181-T183 WeakPolarHBondContact OD1-CB 3.39Å; D181-T183 PolarHBondContact OD1-N 3.46Å; D181-T183 PolarHBondContact OD1-OG1 3.07Å; D181-T183 WeakPolarHBondContact OD2-CG2 3.49Å; D181-T183 PolarHBondContact OD2-OG1 3.18Å; D181-T183 VanDerWaalsContact OD2-OG1 3.11Å
182G97.3Very high97.7Very high20 Ų2058.6 Ų58.621%0.20633%0.33CS..SBendtrans80.48.2-178.500000114.2R148 G179 S180R148-G182 PolarHBondContact NH1-O 3.5Å; G179-G182 WeakPolarHBondContact O-CA 3.29Å; G179-G182 PolarHBondContact O-N 2.85Å; S180-G182 VanDerWaalsContact C-N 3.26Å
183T98.4Very high97.7Very high12 Ų1257 Ų577%0.07432%0.321CS..  trans-94157.8179.369.40000113H142 G179 D181H142-T183 CarbonylContact O-C 3.52Å; H142-T183 WeakPolarHBondContact O-CA 3.23Å; G179-T183 PolarHBondContact N-O 2.99Å; D181-T183 VanDerWaalsContact C-N 3.32Å; D181-T183 VanDerWaalsContact CG-OG1 3.24Å; D181-T183 WeakPolarHBondContact OD1-CB 3.39Å; D181-T183 PolarHBondContact OD1-N 3.46Å; D181-T183 PolarHBondContact OD1-OG1 3.07Å; D181-T183 WeakPolarHBondContact OD2-CG2 3.49Å; D181-T183 PolarHBondContact OD2-OG1 3.18Å; D181-T183 VanDerWaalsContact OD2-OG1 3.11Å
184I98.6Very high97.7Very high0 Ų058.3 Ų58.30%033%0.327CS..  trans-108.3128.7169.9-62.4178.5000108P139 G141 H142 V178 M189 Y192P139-I184 HydrophobicContact CB-CD1 3.94Å; P139-I184 HydrophobicContact CG-CD1 3.96Å; G141-I184 VanDerWaalsContact O-CD1 3.28Å; G141-I184 WeakPolarHBondContact O-CD1 3.44Å; H142-I184 PolarHBondContact CD2-O 2.91Å; H142-I184 PolarHBondContact O-N 3.39Å; V178-I184 HydrophobicContact CG2-CG1 4.26Å; I184-M189 HydrophobicContact CD1-CE 4.5Å; I184-M189 HydrophobicContact CD1-SD 3.99Å; I184-M189 HydrophobicContact CG2-CB 3.95Å; I184-M189 HydrophobicContact CG2-CG 3.98Å; I184-M189 HydrophobicContact CG2-SD 3.73Å; I184-Y192 WeakPolarHBondContact O-CD1 3.44Å; I184-Y192 WeakPolarHBondContact O-CE1 3.47Å
185E98.2Very high97.7Very high108 Ų10857.1 Ų57.151%0.50532%0.319SS..  trans-82.3146.2180-70.6-60.8158.300112.3A187 D188 M189E185-A187 PolarHBondContact O-N 3.47Å; E185-D188 PolarHBondContact O-N 3.33Å; E185-M189 PolarHBondContact O-N 2.88Å
186R98.1Very high97.8Very high138 Ų13850.7 Ų50.752%0.52129%0.291SS..THydrogen-bonded Turntrans-63.5-24174.8-72.5-168.8-177.7-79.53.3113.2D188 M189 Y190 Y192 T196R186-D188 PolarHBondContact O-N 2.62Å; R186-M189 WeakPolarHBondContact CA-O 3.45Å; R186-M189 CarbonylContact O-C 3.6Å; R186-Y190 PolarHBondContact NH1-O 2.8Å; R186-Y192 HydrophobicContact CG-CE1 3.65Å; R186-Y192 VanDerWaalsContact CZ-OH 3.28Å; R186-Y192 PolarHBondContact NE-OH 2.87Å; R186-Y192 VanDerWaalsContact NE-OH 3.14Å; R186-Y192 PolarHBondContact NH2-OH 2.88Å; R186-T196 WeakPolarHBondContact O-CG2 3.23Å
187A97.8Very high97.9Very high65 Ų6551.6 Ų51.654%0.53729%0.285SS..THydrogen-bonded Turntrans-62.6-31.6174.100000111.6E185 T196E185-A187 PolarHBondContact O-N 3.47Å; A187-T196 WeakPolarHBondContact O-CG2 3.39Å; A187-T196 PolarHBondContact O-OG1 3.11Å
188D98Very high97.9Very high13 Ų1354.7 Ų54.77%0.0731%0.307CS..THydrogen-bonded Turntrans-92-39.8176.7-67.4-40.3000112.1L177 E185 R186 L195 T196 K202L177-D188 HydrophobicContact CD2-CB 4.19Å; E185-D188 PolarHBondContact O-N 3.33Å; R186-D188 PolarHBondContact O-N 2.62Å; D188-L195 CarbonylContact O-C 3.54Å; D188-L195 VanDerWaalsContact O-CA 3.3Å; D188-L195 WeakPolarHBondContact O-CA 3.33Å; D188-T196 PolarHBondContact O-N 2.72Å; D188-T196 PolarHBondContact O-OG1 2.69Å; D188-K202 WeakPolarHBondContact OD1-CE 3.44Å; D188-K202 IonicContact OD1-NZ 2.76Å; D188-K202 PolarHBondContact OD1-NZ 3.15Å; D188-K202 IonicContact OD2-NZ 2.84Å; D188-K202 PolarHBondContact OD2-NZ 3.27Å
189M98.6Very high97.9Very high0 Ų052 Ų520%029%0.291CS..BIsolated β-bridgetrans-137.2109.4-179.5-63.8179-171.300112.1P138 P139 L177 I184 E185 R186 D191 Y192 H194 L195P138-M189 HydrophobicContact CB-CE 3.92Å; P139-M189 HydrophobicContact CG-CE 4.07Å; P139-M189 VanDerWaalsContact O-CE 3.22Å; P139-M189 WeakPolarHBondContact O-CE 3.16Å; P139-M189 VanDerWaalsContact O-SD 3.33Å; L177-M189 HydrophobicContact CB-CE 4.26Å; L177-M189 HydrophobicContact CD1-CE 3.84Å; L177-M189 HydrophobicContact CD2-CE 4.4Å; L177-M189 HydrophobicContact CG-CE 4.42Å; I184-M189 HydrophobicContact CD1-CE 4.5Å; I184-M189 HydrophobicContact CD1-SD 3.99Å; I184-M189 HydrophobicContact CG2-CB 3.95Å; I184-M189 HydrophobicContact CG2-CG 3.98Å; I184-M189 HydrophobicContact CG2-SD 3.73Å; E185-M189 PolarHBondContact O-N 2.88Å; R186-M189 WeakPolarHBondContact CA-O 3.45Å; R186-M189 CarbonylContact O-C 3.6Å; M189-D191 VanDerWaalsContact C-N 3.31Å; M189-D191 PolarHBondContact O-N 2.92Å; M189-Y192 PolarHBondContact O-N 3.07Å; M189-H194 CarbonylContact C-O 3.52Å; M189-H194 WeakPolarHBondContact CA-O 3.42Å; M189-H194 WeakPolarHBondContact CB-O 3.48Å; M189-L195 HydrophobicContact CE-CD2 3.71Å; M189-L195 HydrophobicContact CG-CD2 3.91Å
190Y98Very high98Very high118 Ų11850.4 Ų50.446%0.46327%0.274SS..THydrogen-bonded Turntrans-63.9-33.9-168.865-95.5000113.5R186 H194 T196R186-Y190 PolarHBondContact NH1-O 2.8Å; Y190-H194 HydrophobicContact CD1-CB 4.25Å; Y190-H194 HydrophobicContact CE1-CB 3.38Å; Y190-H194 PolarHBondContact N-O 3.34Å; Y190-H194 WeakPolarHBondContact OH-CB 3.45Å; Y190-H194 PolarHBondContact OH-ND1 3.26Å; Y190-T196 HydrophobicContact CD1-CG2 4.45Å
191D98.2Very high98.1Very high65 Ų6548.8 Ų48.835%0.34825%0.246SC..THydrogen-bonded Turntrans-111.415.6176.264.72.3000112.5M189 F193 H194M189-D191 VanDerWaalsContact C-N 3.31Å; M189-D191 PolarHBondContact O-N 2.92Å; D191-F193 PolarHBondContact O-N 2.97Å; D191-F193 WeakPolarHBondContact OD1-CA 3.36Å; D191-F193 PolarHBondContact OD1-N 2.69Å; D191-H194 PolarHBondContact OD1-N 3.3Å; D191-H194 IonicContact OD1-ND1 2.72Å; D191-H194 IonicContact OD2-CE1 3.14Å; D191-H194 IonicContact OD2-CG 3.04Å; D191-H194 IonicContact OD2-ND1 2.67Å; D191-H194 PolarHBondContact OD2-ND1 3.2Å
192Y98.4Very high98.1Very high48 Ų4847.8 Ų47.819%0.18824%0.236CC..SBendtrans59.622.2-171.7-45.8-69.4000114.3C140 G141 H142 I184 R186 M189C140-Y192 CarbonylContact C-O 3.54Å; C140-Y192 WeakPolarHBondContact CA-O 3.22Å; G141-Y192 PolarHBondContact N-O 2.84Å; H142-Y192 HydrophobicContact CB-CD1 3.78Å; H142-Y192 HydrophobicContact CB-CD2 3.91Å; H142-Y192 HydrophobicContact CB-CE1 3.74Å; H142-Y192 HydrophobicContact CB-CE2 3.86Å; H142-Y192 HydrophobicContact CB-CG 3.85Å; H142-Y192 AromaticContact CG-CE1 3.91Å; H142-Y192 AromaticContact CG-CZ 3.93Å; I184-Y192 WeakPolarHBondContact O-CD1 3.44Å; I184-Y192 WeakPolarHBondContact O-CE1 3.47Å; R186-Y192 HydrophobicContact CG-CE1 3.65Å; R186-Y192 VanDerWaalsContact CZ-OH 3.28Å; R186-Y192 PolarHBondContact NE-OH 2.87Å; R186-Y192 VanDerWaalsContact NE-OH 3.14Å; R186-Y192 PolarHBondContact NH2-OH 2.88Å; M189-Y192 PolarHBondContact O-N 3.07Å
193F98.1Very high98.2Very high23 Ų2346.9 Ų46.910%0.10123%0.227CC..SBendtrans-137.5-56.7174.2179.6-116.9000111.3H47 C140 R147 D191H47-F193 PolarHBondContact CE1-O 3.02Å; H47-F193 AromaticContact NE2-CE2 3.96Å; H47-F193 AromaticContact NE2-CZ 3.94Å; C140-F193 HydrophobicContact CB-CD2 3.74Å; R147-F193 VanDerWaalsContact CZ-CE2 3.44Å; D191-F193 PolarHBondContact O-N 2.97Å; D191-F193 WeakPolarHBondContact OD1-CA 3.36Å; D191-F193 PolarHBondContact OD1-N 2.69Å
194H98.5Very high98.2Very high30 Ų3046.3 Ų46.314%0.13922%0.224CC..SBendtrans-84.2134.5177.3-59.7103.7000110.7S46 M189 Y190 D191S46-H194 WeakPolarHBondContact CB-NE2 3.45Å; S46-H194 PolarHBondContact OG-NE2 2.78Å; M189-H194 CarbonylContact C-O 3.52Å; M189-H194 WeakPolarHBondContact CA-O 3.42Å; M189-H194 WeakPolarHBondContact CB-O 3.48Å; Y190-H194 HydrophobicContact CD1-CB 4.25Å; Y190-H194 HydrophobicContact CE1-CB 3.38Å; Y190-H194 PolarHBondContact N-O 3.34Å; Y190-H194 WeakPolarHBondContact OH-CB 3.45Å; Y190-H194 PolarHBondContact OH-ND1 3.26Å; D191-H194 PolarHBondContact OD1-N 3.3Å; D191-H194 IonicContact OD1-ND1 2.72Å; D191-H194 IonicContact OD2-CE1 3.14Å; D191-H194 IonicContact OD2-CG 3.04Å; D191-H194 IonicContact OD2-ND1 2.67Å; D191-H194 PolarHBondContact OD2-ND1 3.2Å
195L98.5Very high98.1Very high6 Ų649.8 Ų49.83%0.03124%0.242CC..BIsolated β-bridgetrans-65.4143.3177.3-65166.3000110.7L177 D188 M189 Y200 A203 F204L177-L195 HydrophobicContact CD1-CD2 4.12Å; L177-L195 HydrophobicContact CD2-CD2 3.82Å; D188-L195 CarbonylContact O-C 3.54Å; D188-L195 VanDerWaalsContact O-CA 3.3Å; D188-L195 WeakPolarHBondContact O-CA 3.33Å; M189-L195 HydrophobicContact CE-CD2 3.71Å; M189-L195 HydrophobicContact CG-CD2 3.91Å; L195-Y200 HydrophobicContact CB-CD1 4.31Å; L195-Y200 HydrophobicContact CB-CD2 3.7Å; L195-Y200 HydrophobicContact CB-CE1 4.18Å; L195-Y200 HydrophobicContact CB-CE2 3.56Å; L195-Y200 HydrophobicContact CB-CG 4.06Å; L195-Y200 HydrophobicContact CD1-CD1 3.8Å; L195-Y200 HydrophobicContact CD1-CE1 3.71Å; L195-Y200 HydrophobicContact CD1-CG 4.27Å; L195-Y200 WeakPolarHBondContact O-CE2 3.48Å; L195-A203 HydrophobicContact CD1-CB 4.28Å; L195-F204 HydrophobicContact CD1-CE2 4.38Å
196T98.5Very high98.1Very high29 Ų2948.3 Ų48.318%0.17824%0.237CC..PPolyproline II helixtrans-77.2173.3161.566.30000109.6R186 A187 D188 Y190 S198 G199 Y200R186-T196 WeakPolarHBondContact O-CG2 3.23Å; A187-T196 WeakPolarHBondContact O-CG2 3.39Å; A187-T196 PolarHBondContact O-OG1 3.11Å; D188-T196 PolarHBondContact O-N 2.72Å; D188-T196 PolarHBondContact O-OG1 2.69Å; Y190-T196 HydrophobicContact CD1-CG2 4.45Å; T196-S198 VanDerWaalsContact C-N 3.26Å; T196-S198 PolarHBondContact O-N 3.37Å; T196-S198 PolarHBondContact OG1-N 3.14Å; T196-G199 CarbonylContact O-C 3.27Å; T196-G199 WeakPolarHBondContact O-CA 3.2Å; T196-G199 PolarHBondContact O-N 2.94Å; T196-G199 PolarHBondContact OG1-N 3.34Å; T196-Y200 WeakPolarHBondContact O-CD2 3.4Å; T196-Y200 PolarHBondContact O-N 3.15Å
197D98.2Very high98.1Very high64 Ų6441.7 Ų41.734%0.34221%0.212SC..Hα-helixtrans-55.9-40.6169.6-174.571000112.3T54 L55 T56 G199 Y200 R201T54-D197 WeakPolarHBondContact CB-OD1 3.35Å; L55-D197 PolarHBondContact N-OD1 3.06Å; T56-D197 PolarHBondContact N-OD1 3.46Å; T56-D197 PolarHBondContact OG1-O 3.44Å; T56-D197 PolarHBondContact OG1-OD1 2.92Å; D197-G199 VanDerWaalsContact C-N 3.33Å; D197-G199 PolarHBondContact O-N 3.32Å; D197-Y200 PolarHBondContact O-N 2.89Å; D197-R201 WeakPolarHBondContact O-CB 3.42Å; D197-R201 PolarHBondContact O-N 2.75Å
198S97.5Very high98.1Very high66 Ų6640.8 Ų40.846%0.46220%0.195SC..Hα-helixtrans-62.4-39.4173.1-178.50000112.5T196 R201 K202T196-S198 VanDerWaalsContact C-N 3.26Å; T196-S198 PolarHBondContact O-N 3.37Å; T196-S198 PolarHBondContact OG1-N 3.14Å; S198-R201 PolarHBondContact O-N 3.29Å; S198-K202 WeakPolarHBondContact O-CB 3.28Å; S198-K202 PolarHBondContact O-N 3.11Å
199G98.3Very high98.1Very high0 Ų042.6 Ų42.60%021%0.212CC..Hα-helixtrans-65.5-42.7175.200000112.1T196 D197 K202 A203T196-G199 CarbonylContact O-C 3.27Å; T196-G199 WeakPolarHBondContact O-CA 3.2Å; T196-G199 PolarHBondContact O-N 2.94Å; T196-G199 PolarHBondContact OG1-N 3.34Å; D197-G199 VanDerWaalsContact C-N 3.33Å; D197-G199 PolarHBondContact O-N 3.32Å; G199-K202 PolarHBondContact O-N 2.9Å; G199-A203 VanDerWaalsContact O-CB 3.25Å; G199-A203 WeakPolarHBondContact O-CB 3.22Å; G199-A203 PolarHBondContact O-N 2.93Å
200Y98.6Very high98.1Very high1 Ų143.4 Ų43.40%0.00422%0.218CC..Hα-helixtrans-61.6-46.6172.9-80.9-68.8000111H47 C50 L51 T54 L195 T196 D197 K202 A203 F204H47-Y200 PolarHBondContact O-OH 3.06Å; C50-Y200 HydrophobicContact CB-CE2 4.19Å; C50-Y200 WeakPolarHBondContact CB-OH 3.46Å; L51-Y200 HydrophobicContact CB-CD1 4.21Å; L51-Y200 HydrophobicContact CB-CE1 3.77Å; L51-Y200 HydrophobicContact CD1-CD1 3.64Å; L51-Y200 HydrophobicContact CD1-CE1 4.1Å; L51-Y200 HydrophobicContact CD1-CG 4.23Å; T54-Y200 HydrophobicContact CG2-CD2 3.33Å; T54-Y200 HydrophobicContact CG2-CE2 3.69Å; T54-Y200 HydrophobicContact CG2-CG 4.06Å; L195-Y200 HydrophobicContact CB-CD1 4.31Å; L195-Y200 HydrophobicContact CB-CD2 3.7Å; L195-Y200 HydrophobicContact CB-CE1 4.18Å; L195-Y200 HydrophobicContact CB-CE2 3.56Å; L195-Y200 HydrophobicContact CB-CG 4.06Å; L195-Y200 HydrophobicContact CD1-CD1 3.8Å; L195-Y200 HydrophobicContact CD1-CE1 3.71Å; L195-Y200 HydrophobicContact CD1-CG 4.27Å; L195-Y200 WeakPolarHBondContact O-CE2 3.48Å; T196-Y200 WeakPolarHBondContact O-CD2 3.4Å; T196-Y200 PolarHBondContact O-N 3.15Å; D197-Y200 PolarHBondContact O-N 2.89Å; Y200-K202 VanDerWaalsContact C-N 3.32Å; Y200-K202 PolarHBondContact O-N 3.47Å; Y200-A203 PolarHBondContact O-N 3.39Å; Y200-A203 VanDerWaalsContact O-N 3.15Å; Y200-F204 AromaticContact CD1-CD2 3.75Å; Y200-F204 HydrophobicContact CD1-CD2 3.75Å; Y200-F204 AromaticContact CD1-CE2 3.66Å; Y200-F204 HydrophobicContact CD1-CE2 3.66Å; Y200-F204 HydrophobicContact CD1-CG 4.43Å; Y200-F204 HydrophobicContact CD1-CZ 4.29Å; Y200-F204 HydrophobicContact CE1-CD2 4.48Å; Y200-F204 AromaticContact CE1-CE2 3.94Å; Y200-F204 HydrophobicContact CE1-CE2 3.94Å; Y200-F204 HydrophobicContact CE1-CZ 4.3Å; Y200-F204 WeakPolarHBondContact O-CA 3.42Å; Y200-F204 VanDerWaalsContact O-CB 3.26Å; Y200-F204 WeakPolarHBondContact O-CB 3.43Å; Y200-F204 PolarHBondContact O-N 3.02Å
201R97.7Very high98.1Very high107 Ų10737.8 Ų37.840%0.40420%0.196SC..Hα-helixtrans-56.3-48.7178.8-17259.1178.5-107.42.8111.8T56 D197 S198 A203 D205T56-R201 HydrophobicContact CG2-CB 4.43Å; D197-R201 WeakPolarHBondContact O-CB 3.42Å; D197-R201 PolarHBondContact O-N 2.75Å; S198-R201 PolarHBondContact O-N 3.29Å; R201-A203 PolarHBondContact O-N 3.2Å; R201-D205 WeakPolarHBondContact CD-OD1 3.4Å; R201-D205 IonicContact NE-OD1 3.77Å; R201-D205 PolarHBondContact NE-OD1 3.29Å; R201-D205 IonicContact NE-OD2 3.63Å; R201-D205 VanDerWaalsContact O-CG 3.22Å; R201-D205 PolarHBondContact O-N 3.39Å
202K97.2Very high98Very high90 Ų9038.8 Ų38.839%0.39120%0.199SC..Hα-helixtrans-58.9-45.5176.4-174-173-67.3176.30112.4G176 L177 D188 S198 G199 Y200G176-K202 WeakPolarHBondContact O-CD 3.41Å; G176-K202 PolarHBondContact O-NZ 3.16Å; L177-K202 HydrophobicContact CD2-CD 4.14Å; D188-K202 WeakPolarHBondContact OD1-CE 3.44Å; D188-K202 IonicContact OD1-NZ 2.76Å; D188-K202 PolarHBondContact OD1-NZ 3.15Å; D188-K202 IonicContact OD2-NZ 2.84Å; D188-K202 PolarHBondContact OD2-NZ 3.27Å; S198-K202 WeakPolarHBondContact O-CB 3.28Å; S198-K202 PolarHBondContact O-N 3.11Å; G199-K202 PolarHBondContact O-N 2.9Å; Y200-K202 VanDerWaalsContact C-N 3.32Å; Y200-K202 PolarHBondContact O-N 3.47Å
203A98.2Very high97.9Very high2 Ų242.6 Ų42.62%0.01722%0.218CC..Hα-helixtrans-82.2-27.9-173.300000114I173 L195 G199 Y200 R201 I206I173-A203 HydrophobicContact CB-CB 4.17Å; I173-A203 WeakPolarHBondContact CB-O 2.96Å; I173-A203 VanDerWaalsContact CG2-O 3.28Å; I173-A203 WeakPolarHBondContact CG2-O 3.33Å; I173-A203 WeakPolarHBondContact O-CB 3.28Å; L195-A203 HydrophobicContact CD1-CB 4.28Å; G199-A203 VanDerWaalsContact O-CB 3.25Å; G199-A203 WeakPolarHBondContact O-CB 3.22Å; G199-A203 PolarHBondContact O-N 2.93Å; Y200-A203 PolarHBondContact O-N 3.39Å; Y200-A203 VanDerWaalsContact O-N 3.15Å; R201-A203 PolarHBondContact O-N 3.2Å; A203-I206 WeakPolarHBondContact O-CG2 3.47Å
204F98.3Very high97.8Very high0 Ų043.8 Ų43.80%023%0.226CC..Hα-helixtrans-107.1-4.9-170.9-79-114.3000113.9F42 L51 F61 L99 L135 I173 L195 Y200 I206 V207 Y208F42-F204 HydrophobicContact CE1-CE1 4.19Å; L51-F204 HydrophobicContact CD1-CD1 3.92Å; L51-F204 HydrophobicContact CD1-CE1 4.08Å; L51-F204 HydrophobicContact CD1-CG 4.27Å; L51-F204 HydrophobicContact CD2-CD1 3.93Å; L51-F204 HydrophobicContact CD2-CE1 3.48Å; L51-F204 VanDerWaalsContact CD2-CE1 3.48Å; L51-F204 HydrophobicContact CD2-CZ 4.22Å; L51-F204 HydrophobicContact CG-CE1 4.34Å; F61-F204 HydrophobicContact CE2-CB 4.04Å; F61-F204 HydrophobicContact CE2-CD1 4.07Å; F61-F204 HydrophobicContact CZ-CB 4.2Å; F61-F204 HydrophobicContact CZ-CD1 4.12Å; L99-F204 HydrophobicContact CD2-CZ 4.45Å; L135-F204 HydrophobicContact CD1-CE1 4Å; L135-F204 HydrophobicContact CD1-CZ 3.87Å; I173-F204 HydrophobicContact CD1-CE2 4Å; I173-F204 HydrophobicContact CD1-CZ 4.46Å; L195-F204 HydrophobicContact CD1-CE2 4.38Å; Y200-F204 AromaticContact CD1-CD2 3.75Å; Y200-F204 HydrophobicContact CD1-CD2 3.75Å; Y200-F204 AromaticContact CD1-CE2 3.66Å; Y200-F204 HydrophobicContact CD1-CE2 3.66Å; Y200-F204 HydrophobicContact CD1-CG 4.43Å; Y200-F204 HydrophobicContact CD1-CZ 4.29Å; Y200-F204 HydrophobicContact CE1-CD2 4.48Å; Y200-F204 AromaticContact CE1-CE2 3.94Å; Y200-F204 HydrophobicContact CE1-CE2 3.94Å; Y200-F204 HydrophobicContact CE1-CZ 4.3Å; Y200-F204 WeakPolarHBondContact O-CA 3.42Å; Y200-F204 VanDerWaalsContact O-CB 3.26Å; Y200-F204 WeakPolarHBondContact O-CB 3.43Å; Y200-F204 PolarHBondContact O-N 3.02Å; F204-I206 PolarHBondContact O-N 3.29Å; F204-V207 HydrophobicContact CB-CB 4.39Å; F204-V207 HydrophobicContact CB-CG2 4.49Å; F204-V207 HydrophobicContact CD1-CB 4.03Å; F204-V207 HydrophobicContact CD1-CG1 4.2Å; F204-V207 HydrophobicContact CD1-CG2 4.01Å; F204-V207 HydrophobicContact CE1-CG2 4.41Å; F204-V207 HydrophobicContact CG-CB 4.41Å; F204-V207 HydrophobicContact CG-CG2 4.2Å; F204-V207 PolarHBondContact O-N 2.96Å; F204-V207 VanDerWaalsContact O-N 3.11Å; F204-Y208 WeakPolarHBondContact O-CB 3.32Å; F204-Y208 PolarHBondContact O-N 3.03Å
205D97.2Very high97.6Very high72 Ų7243.4 Ų43.439%0.38523%0.226SC..Hα-helixtrans-57.2-37.5168.5-85.9-9.3000111.2R201 Y208 A209R201-D205 WeakPolarHBondContact CD-OD1 3.4Å; R201-D205 IonicContact NE-OD1 3.77Å; R201-D205 PolarHBondContact NE-OD1 3.29Å; R201-D205 IonicContact NE-OD2 3.63Å; R201-D205 VanDerWaalsContact O-CG 3.22Å; R201-D205 PolarHBondContact O-N 3.39Å; D205-Y208 PolarHBondContact O-N 3.46Å; D205-A209 PolarHBondContact O-N 3.11Å
206I97.5Very high96.8Very high77 Ų7745.8 Ų45.840%0.39525%0.252SS..Hα-helixtrans-69.7-37.6174.3-169.7173000112.4I173 A203 F204 Y208 A209 A210I173-I206 HydrophobicContact CG2-CG2 3.99Å; A203-I206 WeakPolarHBondContact O-CG2 3.47Å; F204-I206 PolarHBondContact O-N 3.29Å; I206-Y208 VanDerWaalsContact C-N 3.32Å; I206-A209 PolarHBondContact O-N 3.11Å; I206-A210 PolarHBondContact O-N 2.77Å
207V98.5Very high95.1Very high0 Ų050.5 Ų50.50%028%0.275CS..Hα-helixtrans-66-41.3176.7-177.40000109.7F42 F61 V97 L135 I173 F204 A210 V211F42-V207 HydrophobicContact CE1-CG1 4.28Å; F61-V207 HydrophobicContact CE1-CG1 4.17Å; F61-V207 HydrophobicContact CZ-CB 4.14Å; F61-V207 HydrophobicContact CZ-CG1 4.08Å; V97-V207 HydrophobicContact CG1-CG1 4.13Å; V97-V207 HydrophobicContact CG2-CG1 4.38Å; L135-V207 HydrophobicContact CD1-CG2 4.03Å; L135-V207 HydrophobicContact CD2-CG2 3.8Å; I173-V207 HydrophobicContact CG2-CG2 3.54Å; F204-V207 HydrophobicContact CB-CB 4.39Å; F204-V207 HydrophobicContact CB-CG2 4.49Å; F204-V207 HydrophobicContact CD1-CB 4.03Å; F204-V207 HydrophobicContact CD1-CG1 4.2Å; F204-V207 HydrophobicContact CD1-CG2 4.01Å; F204-V207 HydrophobicContact CE1-CG2 4.41Å; F204-V207 HydrophobicContact CG-CB 4.41Å; F204-V207 HydrophobicContact CG-CG2 4.2Å; F204-V207 PolarHBondContact O-N 2.96Å; F204-V207 VanDerWaalsContact O-N 3.11Å; V207-A210 PolarHBondContact O-N 3.35Å; V207-V211 HydrophobicContact CG1-CG2 4.4Å; V207-V211 WeakPolarHBondContact O-CB 3.37Å; V207-V211 VanDerWaalsContact O-CG2 3.3Å; V207-V211 WeakPolarHBondContact O-CG2 3.38Å; V207-V211 PolarHBondContact O-N 3.17Å
208Y98.1Very high92.7Very high45 Ų4557 Ų5718%0.17630%0.304CS..Hα-helixtrans-60.1-48.8175.4174.4-116.1000111.8L60 F61 Q63 F64 F204 D205 I206 A210 V211 Q212L60-Y208 HydrophobicContact CB-CD2 3.79Å; L60-Y208 HydrophobicContact CB-CE2 4.25Å; L60-Y208 HydrophobicContact CB-CG 4.05Å; L60-Y208 HydrophobicContact CD1-CG 4.32Å; L60-Y208 HydrophobicContact CD2-CD1 4.08Å; L60-Y208 HydrophobicContact CD2-CD2 4.49Å; L60-Y208 HydrophobicContact CD2-CE1 4.17Å; L60-Y208 HydrophobicContact CD2-CG 4.22Å; L60-Y208 HydrophobicContact CG-CG 4.43Å; L60-Y208 WeakPolarHBondContact O-CD2 3.29Å; L60-Y208 WeakPolarHBondContact O-CE2 3.49Å; F61-Y208 HydrophobicContact CE1-CD2 4.32Å; Q63-Y208 VanDerWaalsContact NE2-CE2 3.29Å; Q63-Y208 PolarHBondContact NE2-OH 3.31Å; F64-Y208 AromaticContact CE2-CD2 3.75Å; F64-Y208 HydrophobicContact CE2-CD2 3.75Å; F64-Y208 AromaticContact CE2-CE2 3.57Å; F64-Y208 HydrophobicContact CE2-CE2 3.57Å; F64-Y208 HydrophobicContact CZ-CD2 4.16Å; F64-Y208 AromaticContact CZ-CE2 3.65Å; F64-Y208 HydrophobicContact CZ-CE2 3.65Å; F204-Y208 WeakPolarHBondContact O-CB 3.32Å; F204-Y208 PolarHBondContact O-N 3.03Å; D205-Y208 PolarHBondContact O-N 3.46Å; I206-Y208 VanDerWaalsContact C-N 3.32Å; Y208-A210 VanDerWaalsContact C-N 3.33Å; Y208-A210 PolarHBondContact O-N 2.61Å; Y208-V211 PolarHBondContact O-N 2.96Å; Y208-Q212 HydrophobicContact CD2-CG 4.16Å; Y208-Q212 VanDerWaalsContact CE1-CD 3.41Å; Y208-Q212 HydrophobicContact CE1-CG 4.22Å; Y208-Q212 HydrophobicContact CE2-CG 3.71Å; Y208-Q212 VanDerWaalsContact CZ-NE2 3.35Å; Y208-Q212 WeakPolarHBondContact O-CG 3.39Å; Y208-Q212 PolarHBondContact O-N 3.46Å; Y208-Q212 PolarHBondContact OH-NE2 2.94Å
209A97.7Very high92.5Very high52 Ų5256.6 Ų56.643%0.4330%0.296SS..Hα-helixtrans-58.3-44.4177.100000112.2D205 I206 Q212 E213D205-A209 PolarHBondContact O-N 3.11Å; I206-A209 PolarHBondContact O-N 3.11Å; A209-Q212 PolarHBondContact O-N 2.68Å; A209-E213 PolarHBondContact O-N 2.94Å; A209-E213 VanDerWaalsContact O-N 3.13Å
210A98.1Very high92.2Very high16 Ų1659.6 Ų59.613%0.13231%0.312CS..Hα-helixtrans-64.6-43.3176.900000112.2L133 L171 I206 V207 Y208 E213 L214L133-A210 HydrophobicContact CD1-CB 3.79Å; L133-A210 HydrophobicContact CD2-CB 4.42Å; L171-A210 HydrophobicContact CD1-CB 3.75Å; I206-A210 PolarHBondContact O-N 2.77Å; V207-A210 PolarHBondContact O-N 3.35Å; Y208-A210 VanDerWaalsContact C-N 3.33Å; Y208-A210 PolarHBondContact O-N 2.61Å; A210-E213 PolarHBondContact O-N 2.9Å; A210-L214 WeakPolarHBondContact O-CB 3.33Å; A210-L214 VanDerWaalsContact O-CG 3.24Å; A210-L214 WeakPolarHBondContact O-CG 3.44Å; A210-L214 PolarHBondContact O-N 3.03Å
211V98.1Very high91.8Very high0 Ų062.8 Ų62.80%033%0.329CS..Hα-helixtrans-62.6-42.8176.3167.50000111.3V40 F61 F64 V95 V97 L133 V207 Y208 E213 L214 V215V40-V211 HydrophobicContact CG2-CG1 3.56Å; F61-V211 HydrophobicContact CE1-CG2 4.31Å; F64-V211 HydrophobicContact CD1-CG1 4.22Å; F64-V211 HydrophobicContact CD2-CG1 3.61Å; F64-V211 HydrophobicContact CE1-CG1 4.29Å; F64-V211 HydrophobicContact CE2-CG1 3.7Å; F64-V211 HydrophobicContact CG-CG1 3.9Å; F64-V211 HydrophobicContact CZ-CG1 4.06Å; V95-V211 HydrophobicContact CG1-CG2 4.34Å; V97-V211 HydrophobicContact CG2-CG2 4.28Å; L133-V211 HydrophobicContact CD1-CG2 4.04Å; V207-V211 HydrophobicContact CG1-CG2 4.4Å; V207-V211 WeakPolarHBondContact O-CB 3.37Å; V207-V211 VanDerWaalsContact O-CG2 3.3Å; V207-V211 WeakPolarHBondContact O-CG2 3.38Å; V207-V211 PolarHBondContact O-N 3.17Å; Y208-V211 PolarHBondContact O-N 2.96Å; V211-E213 VanDerWaalsContact C-N 3.35Å; V211-E213 PolarHBondContact O-N 2.94Å; V211-L214 PolarHBondContact O-N 3.02Å; V211-V215 HydrophobicContact CG1-CG2 4.01Å; V211-V215 WeakPolarHBondContact O-CB 3.18Å; V211-V215 WeakPolarHBondContact O-CG2 3.44Å; V211-V215 PolarHBondContact O-N 3.35Å
212Q96.8Very high91.5Very high86 Ų8660.2 Ų60.240%0.40232%0.324SS..Hα-helixtrans-57.8-46.6176.5-78.7-172.2-63.600112.3F64 Y208 A209 G216F64-Q212 HydrophobicContact CE1-CG 4.32Å; F64-Q212 HydrophobicContact CZ-CG 3.62Å; Y208-Q212 HydrophobicContact CD2-CG 4.16Å; Y208-Q212 VanDerWaalsContact CE1-CD 3.41Å; Y208-Q212 HydrophobicContact CE1-CG 4.22Å; Y208-Q212 HydrophobicContact CE2-CG 3.71Å; Y208-Q212 VanDerWaalsContact CZ-NE2 3.35Å; Y208-Q212 WeakPolarHBondContact O-CG 3.39Å; Y208-Q212 PolarHBondContact O-N 3.46Å; Y208-Q212 PolarHBondContact OH-NE2 2.94Å; A209-Q212 PolarHBondContact O-N 2.68Å; Q212-G216 PolarHBondContact O-N 3.22Å
213E96.7Very high91.2Very high128 Ų12858.4 Ų58.460%0.59832%0.32SS*.Hα-helixtrans-62.6-44.9177.9-178.3177.3176.200111.4A209 A210 V211 N217A209-E213 PolarHBondContact O-N 2.94Å; A209-E213 VanDerWaalsContact O-N 3.13Å; A210-E213 PolarHBondContact O-N 2.9Å; V211-E213 VanDerWaalsContact C-N 3.35Å; V211-E213 PolarHBondContact O-N 2.94Å; E213-N217 WeakPolarHBondContact CG-ND2 3.45Å; E213-N217 WeakPolarHBondContact O-CB 3.33Å; E213-N217 PolarHBondContact O-N 2.85Å; E213-N217 PolarHBondContact O-ND2 3.47Å
214L96.3Very high90.7Very high49 Ų4962.1 Ų62.126%0.25734%0.341SS..Hα-helixtrans-73.1-34.9-176-68.7176.3000113.4V95 K131 L133 A210 V211V95-L214 HydrophobicContact CG1-CD1 4.23Å; V95-L214 HydrophobicContact CG2-CB 3.59Å; V95-L214 HydrophobicContact CG2-CD1 4.02Å; V95-L214 HydrophobicContact CG2-CG 4.48Å; K131-L214 HydrophobicContact CB-CD1 3.94Å; K131-L214 HydrophobicContact CB-CD2 4.3Å; K131-L214 HydrophobicContact CG-CD2 4.03Å; L133-L214 HydrophobicContact CD1-CD1 4.14Å; L133-L214 HydrophobicContact CD2-CD1 3.89Å; L133-L214 HydrophobicContact CG-CD1 4.1Å; A210-L214 WeakPolarHBondContact O-CB 3.33Å; A210-L214 VanDerWaalsContact O-CG 3.24Å; A210-L214 WeakPolarHBondContact O-CG 3.44Å; A210-L214 PolarHBondContact O-N 3.03Å; V211-L214 PolarHBondContact O-N 3.02Å
215V94.1Very high90.1Very high22 Ų2266.6 Ų66.613%0.13337%0.365CS..Hα-helixtrans-81.9-32.2178.7175.70000111.7D39 V40 F64 K94 V95 V211D39-V215 HydrophobicContact CB-CG1 4.44Å; V40-V215 HydrophobicContact CG2-CG2 3.89Å; F64-V215 HydrophobicContact CD1-CB 4.32Å; F64-V215 HydrophobicContact CD1-CG1 4.09Å; F64-V215 HydrophobicContact CD1-CG2 4.38Å; K94-V215 HydrophobicContact CD-CG1 4.35Å; V95-V215 HydrophobicContact CG2-CG2 4.04Å; V211-V215 HydrophobicContact CG1-CG2 4.01Å; V211-V215 WeakPolarHBondContact O-CB 3.18Å; V211-V215 WeakPolarHBondContact O-CG2 3.44Å; V211-V215 PolarHBondContact O-N 3.35Å
216G82.3Confident89.6Confident56 Ų5666.2 Ų66.258%0.57736%0.363SS*.Hα-helixtrans-86.2-9.2-174.600000116.3Q212 E218Q212-G216 PolarHBondContact O-N 3.22Å; G216-E218 VanDerWaalsContact C-N 3.27Å; G216-E218 PolarHBondContact O-N 3.15Å
217N61Low88.9Confident127 Ų12765.3 Ų65.368%0.67936%0.361SS*.  trans-86.428.3-178.5-82.6-29.6000114.6E213E213-N217 WeakPolarHBondContact CG-ND2 3.45Å; E213-N217 WeakPolarHBondContact O-CB 3.33Å; E213-N217 PolarHBondContact O-N 2.85Å; E213-N217 PolarHBondContact O-ND2 3.47Å
218E49.6Very low88.1Confident202 Ų20271.2 Ų71.294%0.94439%0.394SS*.  trans-117.20171.7-70.5-175164.900111.7K94 G216K94-E218 WeakPolarHBondContact CE-OE2 3.44Å; K94-E218 IonicContact NZ-OE2 2.69Å; K94-E218 PolarHBondContact NZ-OE2 2.89Å; G216-E218 VanDerWaalsContact C-N 3.27Å; G216-E218 PolarHBondContact O-N 3.15Å

Retrieved 218 of 218 residues in 186.8 ms (Link to these results)

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