A0A077ZC87_TRITR Loading...

Globin family protein

AlphaFold DB , UniProt , Accession A0A077ZC87, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 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
1M82.2Confident87Confident49 Ų4972.4 Ų72.424%0.24140%0.395CS..  0132.40178.2-173.181.300109.3V3 L12 E13 L14 L88 W97M1-V3 HydrophobicContact CE-CG2 3.98Å; M1-V3 HydrophobicContact CG-CG2 4.01Å; M1-V3 HydrophobicContact SD-CG2 4.03Å; M1-L12 HydrophobicContact CE-CD2 4.28Å; M1-E13 WeakPolarHBondContact O-CA 3.36Å; M1-L14 WeakPolarHBondContact CA-O 3.34Å; M1-L14 WeakPolarHBondContact CB-O 3.37Å; M1-L14 HydrophobicContact CE-CB 4.2Å; M1-L14 HydrophobicContact CE-CD1 3.95Å; M1-L14 HydrophobicContact CE-CG 4.35Å; M1-L14 PolarHBondContact N-O 3.42Å; M1-L14 PolarHBondContact O-N 2.89Å; M1-L14 VanDerWaalsContact O-O 3.11Å; M1-L88 HydrophobicContact CE-CD2 4.38Å; M1-W97 HydrophobicContact CB-CH2 4.45Å; M1-W97 HydrophobicContact CB-CZ2 4.35Å; M1-W97 HydrophobicContact CG-CD2 4.08Å; M1-W97 HydrophobicContact CG-CE3 4.17Å; M1-W97 HydrophobicContact CG-CH2 3.65Å; M1-W97 HydrophobicContact CG-CZ2 3.53Å; M1-W97 HydrophobicContact CG-CZ3 3.97Å; M1-W97 HydrophobicContact SD-CD2 3.81Å; M1-W97 HydrophobicContact SD-CE3 4.48Å; M1-W97 HydrophobicContact SD-CG 4.19Å; M1-W97 HydrophobicContact SD-CH2 4.35Å; M1-W97 HydrophobicContact SD-CZ2 3.65Å; M1-W97 PolarHBondContact SD-NE1 3.45Å; M1-W97 VanDerWaalsContact SD-NE1 3.41Å
2R85Confident87.6Confident143 Ų14366.5 Ų66.554%0.5436%0.363SS..EExtended strand (participates in β ladder)trans-126.8119.3171.4177.4172.6171.6150.3-13.7108.2E4 A11 L12 E13R2-E4 HydrophobicContact CG-CG 4.26Å; R2-E4 IonicContact CZ-OE1 2.66Å; R2-E4 IonicContact NE-OE1 3.58Å; R2-E4 PolarHBondContact NE-OE1 3.28Å; R2-E4 IonicContact NH2-OE1 2.76Å; R2-E4 PolarHBondContact NH2-OE1 3.11Å; R2-A11 HydrophobicContact CG-CB 4.29Å; R2-L12 CarbonylContact C-O 3.56Å; R2-L12 VanDerWaalsContact CA-O 3.31Å; R2-L12 WeakPolarHBondContact CA-O 3.47Å; R2-E13 HydrophobicContact CB-CG 4.16Å; R2-E13 WeakPolarHBondContact CD-OE1 3.41Å; R2-E13 HydrophobicContact CG-CG 3.87Å; R2-E13 IonicContact CZ-OE1 3.41Å; R2-E13 IonicContact NE-OE1 2.86Å; R2-E13 IonicContact NH1-OE1 2.71Å; R2-E13 PolarHBondContact NH1-OE1 3.06Å
3V82.8Confident88Confident9 Ų969.2 Ų69.26%0.05537%0.372CS..EExtended strand (participates in β ladder)trans-111.8113.4176.2-178.50000107.9M1 A11 L12 W97 V101 F156M1-V3 HydrophobicContact CE-CG2 3.98Å; M1-V3 HydrophobicContact CG-CG2 4.01Å; M1-V3 HydrophobicContact SD-CG2 4.03Å; V3-A11 CarbonylContact O-C 3.51Å; V3-A11 VanDerWaalsContact O-CA 3.27Å; V3-A11 WeakPolarHBondContact O-CA 3.5Å; V3-L12 HydrophobicContact CB-CB 4.37Å; V3-L12 PolarHBondContact N-O 2.75Å; V3-L12 PolarHBondContact O-N 3.27Å; V3-W97 HydrophobicContact CG1-CB 4.36Å; V3-W97 HydrophobicContact CG2-CB 3.85Å; V3-W97 HydrophobicContact CG2-CD2 3.88Å; V3-W97 HydrophobicContact CG2-CE3 3.8Å; V3-W97 HydrophobicContact CG2-CG 3.92Å; V3-V101 HydrophobicContact CG1-CG2 3.96Å; V3-F156 HydrophobicContact CG1-CZ 4.41Å
4E86Confident88.4Confident125 Ų12564.4 Ų64.458%0.58435%0.346SS*.EExtended strand (participates in β ladder)trans-93.9130.6175.4-62.8-170.2174.200110.3R2 A11R2-E4 HydrophobicContact CG-CG 4.26Å; R2-E4 IonicContact CZ-OE1 2.66Å; R2-E4 IonicContact NE-OE1 3.58Å; R2-E4 PolarHBondContact NE-OE1 3.28Å; R2-E4 IonicContact NH2-OE1 2.76Å; R2-E4 PolarHBondContact NH2-OE1 3.11Å; E4-A11 HydrophobicContact CG-CB 4.09Å
5S85.7Confident88.8Confident4 Ų464.9 Ų64.93%0.02835%0.349CS..  trans-85.8118.8171.6172.30000110.5W7 T8 G9 K10 E160S5-W7 PolarHBondContact O-N 3.5Å; S5-W7 PolarHBondContact OG-N 2.91Å; S5-W7 VanDerWaalsContact OG-N 3.14Å; S5-T8 WeakPolarHBondContact CB-OG1 3.33Å; S5-T8 PolarHBondContact OG-N 3.25Å; S5-T8 VanDerWaalsContact OG-N 3.09Å; S5-T8 PolarHBondContact OG-OG1 3.35Å; S5-G9 WeakPolarHBondContact O-CA 3.18Å; S5-G9 PolarHBondContact O-N 3.32Å; S5-K10 PolarHBondContact N-O 3.16Å; S5-E160 WeakPolarHBondContact CB-OE1 3.44Å; S5-E160 PolarHBondContact OG-OE1 3.45Å; S5-E160 PolarHBondContact OG-OE2 3.22Å
6C87.3Confident89.1Confident105 Ų10567.1 Ų67.171%0.70936%0.356SS*.THydrogen-bonded Turntrans-65.9-15.7170.4640000113
7W87.3Confident89.5Confident106 Ų10668.8 Ų68.840%0.40236%0.361SS..THydrogen-bonded Turntrans-91.2-39.6-178.3-60-82000113.4S5 V101 R105 H163S5-W7 PolarHBondContact O-N 3.5Å; S5-W7 PolarHBondContact OG-N 2.91Å; S5-W7 VanDerWaalsContact OG-N 3.14Å; W7-V101 HydrophobicContact CE3-CG1 3.77Å; W7-V101 HydrophobicContact CH2-CG1 4.31Å; W7-V101 HydrophobicContact CZ3-CB 4.32Å; W7-V101 HydrophobicContact CZ3-CG1 3.37Å; W7-R105 VanDerWaalsContact CD2-CD 3.45Å; W7-H163 PolarHBondContact O-NE2 3.34Å
8T88.7Confident89.9Confident37 Ų3765.2 Ų65.223%0.22734%0.343CS..THydrogen-bonded Turntrans-106.5-12.1-176.665.70000113.7S5 K10 E160 H163S5-T8 WeakPolarHBondContact CB-OG1 3.33Å; S5-T8 PolarHBondContact OG-N 3.25Å; S5-T8 VanDerWaalsContact OG-N 3.09Å; S5-T8 PolarHBondContact OG-OG1 3.35Å; T8-K10 PolarHBondContact O-N 3.28Å; T8-K10 WeakPolarHBondContact OG1-CB 3.41Å; T8-K10 PolarHBondContact OG1-N 3.07Å; T8-E160 WeakPolarHBondContact CB-OE1 3.25Å; T8-E160 WeakPolarHBondContact CG2-OE1 3.44Å; T8-E160 PolarHBondContact OG1-OE1 3.3Å; T8-H163 HydrophobicContact CG2-CB 3.44Å; T8-H163 VanDerWaalsContact CG2-CB 3.44Å
9G89.1Confident90.2Very high74 Ų7462.8 Ų62.876%0.76333%0.328SS*.  trans67.28-170.700000113.4S5S5-G9 WeakPolarHBondContact O-CA 3.18Å; S5-G9 PolarHBondContact O-N 3.32Å
10K90.9Very high90.5Very high100 Ų10064.4 Ų64.444%0.43533%0.334SS..  trans-87.6147.9177.1-62.7-163.7-176.1-173.40110.9S5 T8 F156 A159S5-K10 PolarHBondContact N-O 3.16Å; T8-K10 PolarHBondContact O-N 3.28Å; T8-K10 WeakPolarHBondContact OG1-CB 3.41Å; T8-K10 PolarHBondContact OG1-N 3.07Å; K10-F156 HydrophobicContact CB-CD2 4.49Å; K10-A159 HydrophobicContact CD-CB 3.47Å; K10-A159 VanDerWaalsContact CD-CB 3.47Å; K10-A159 VanDerWaalsContact NZ-CB 3.29Å
11A91.6Very high90.8Very high44 Ų4463 Ų6336%0.36433%0.327SS..EExtended strand (participates in β ladder)trans-108.7137.9171.500000110.8R2 V3 E4R2-A11 HydrophobicContact CG-CB 4.29Å; V3-A11 CarbonylContact O-C 3.51Å; V3-A11 VanDerWaalsContact O-CA 3.27Å; V3-A11 WeakPolarHBondContact O-CA 3.5Å; E4-A11 HydrophobicContact CG-CB 4.09Å
12L94Very high91.5Very high2 Ų260.7 Ų60.71%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-95.6111.8161.3176.760.9000108.2M1 R2 V3 L14 L88 R152 L153 F156M1-L12 HydrophobicContact CE-CD2 4.28Å; R2-L12 CarbonylContact C-O 3.56Å; R2-L12 VanDerWaalsContact CA-O 3.31Å; R2-L12 WeakPolarHBondContact CA-O 3.47Å; V3-L12 HydrophobicContact CB-CB 4.37Å; V3-L12 PolarHBondContact N-O 2.75Å; V3-L12 PolarHBondContact O-N 3.27Å; L12-L14 HydrophobicContact CD1-CD1 4.08Å; L12-L14 HydrophobicContact CD1-CD2 4Å; L12-L14 HydrophobicContact CD1-CG 3.78Å; L12-L14 HydrophobicContact CD2-CD1 3.97Å; L12-L14 HydrophobicContact CD2-CG 4.39Å; L12-L14 HydrophobicContact CG-CD1 4.09Å; L12-L14 HydrophobicContact CG-CG 3.95Å; L12-L88 HydrophobicContact CD2-CD1 4.1Å; L12-R152 HydrophobicContact CD1-CB 4.37Å; L12-L153 HydrophobicContact CD2-CD1 3.96Å; L12-F156 HydrophobicContact CB-CB 4.13Å; L12-F156 HydrophobicContact CB-CD1 4.02Å; L12-F156 HydrophobicContact CB-CD2 3.64Å; L12-F156 HydrophobicContact CB-CE1 4.32Å; L12-F156 HydrophobicContact CB-CE2 3.97Å; L12-F156 HydrophobicContact CB-CG 3.66Å; L12-F156 HydrophobicContact CB-CZ 4.3Å; L12-F156 HydrophobicContact CD1-CB 4.04Å; L12-F156 HydrophobicContact CD1-CG 4.44Å; L12-F156 HydrophobicContact CD2-CD1 4.01Å; L12-F156 HydrophobicContact CD2-CE1 4.44Å; L12-F156 HydrophobicContact CD2-CG 4.33Å; L12-F156 HydrophobicContact CG-CB 4.48Å; L12-F156 HydrophobicContact CG-CG 4.36Å
13E93.2Very high92.1Very high102 Ų10254 Ų5448%0.47729%0.292SS..EExtended strand (participates in β ladder)trans-106114.2172.4-66.8-177.8173.700109M1 R2M1-E13 WeakPolarHBondContact O-CA 3.36Å; R2-E13 HydrophobicContact CB-CG 4.16Å; R2-E13 WeakPolarHBondContact CD-OE1 3.41Å; R2-E13 HydrophobicContact CG-CG 3.87Å; R2-E13 IonicContact CZ-OE1 3.41Å; R2-E13 IonicContact NE-OE1 2.86Å; R2-E13 IonicContact NH1-OE1 2.71Å; R2-E13 PolarHBondContact NH1-OE1 3.06Å
14L93.4Very high92.7Very high2 Ų257.4 Ų57.41%0.0131%0.307CS..  trans-127.7120.3172.3-59.9174.8000107.6M1 L12 D18 R19 I22 R152M1-L14 WeakPolarHBondContact CA-O 3.34Å; M1-L14 WeakPolarHBondContact CB-O 3.37Å; M1-L14 HydrophobicContact CE-CB 4.2Å; M1-L14 HydrophobicContact CE-CD1 3.95Å; M1-L14 HydrophobicContact CE-CG 4.35Å; M1-L14 PolarHBondContact N-O 3.42Å; M1-L14 PolarHBondContact O-N 2.89Å; M1-L14 VanDerWaalsContact O-O 3.11Å; L12-L14 HydrophobicContact CD1-CD1 4.08Å; L12-L14 HydrophobicContact CD1-CD2 4Å; L12-L14 HydrophobicContact CD1-CG 3.78Å; L12-L14 HydrophobicContact CD2-CD1 3.97Å; L12-L14 HydrophobicContact CD2-CG 4.39Å; L12-L14 HydrophobicContact CG-CD1 4.09Å; L12-L14 HydrophobicContact CG-CG 3.95Å; L14-D18 HydrophobicContact CB-CB 3.98Å; L14-D18 HydrophobicContact CD2-CB 3.95Å; L14-R19 HydrophobicContact CB-CG 4.15Å; L14-I22 HydrophobicContact CD1-CD1 4.02Å; L14-I22 HydrophobicContact CD2-CD1 4.07Å; L14-R152 HydrophobicContact CD2-CB 4.18Å
15D94.5Very high93.2Very high72 Ų7252 Ų5239%0.38528%0.283SS..  trans-73173.8168.468.627.3000110.9Q17 D18 R19 R145D15-Q17 PolarHBondContact O-N 3.21Å; D15-Q17 WeakPolarHBondContact OD1-CA 3.36Å; D15-Q17 WeakPolarHBondContact OD1-CB 3.43Å; D15-Q17 PolarHBondContact OD1-N 3.37Å; D15-D18 PolarHBondContact N-OD2 2.85Å; D15-D18 PolarHBondContact O-N 2.97Å; D15-D18 PolarHBondContact OD1-N 2.94Å; D15-R19 PolarHBondContact O-N 2.98Å; D15-R19 VanDerWaalsContact O-N 3.11Å; D15-R145 IonicContact OD1-NH2 3.57Å; D15-R145 PolarHBondContact OD1-NH2 3.18Å; D15-R145 IonicContact OD2-NH2 3.97Å; D15-R145 PolarHBondContact OD2-NH2 2.99Å
16E94.5Very high93.7Very high100 Ų10052.2 Ų52.247%0.46728%0.283SS..Hα-helixtrans-59.1-37.5-179.9178.853-151.500111.8R19 Q20E16-R19 PolarHBondContact O-N 3.06Å; E16-R19 IonicContact OE2-CZ 3.5Å; E16-R19 IonicContact OE2-NH1 3.84Å; E16-Q20 VanDerWaalsContact O-CG 3.31Å; E16-Q20 WeakPolarHBondContact O-CG 3.39Å; E16-Q20 PolarHBondContact O-N 3.16Å; E16-Q20 PolarHBondContact OE1-NE2 3.28Å
17Q95.8Very high94.1Very high95 Ų9555.1 Ų55.144%0.44428%0.279SS..Hα-helixtrans-71-37.6179.5-176.1168.910.500111.9D15 R19 Q20 L21 R145D15-Q17 PolarHBondContact O-N 3.21Å; D15-Q17 WeakPolarHBondContact OD1-CA 3.36Å; D15-Q17 WeakPolarHBondContact OD1-CB 3.43Å; D15-Q17 PolarHBondContact OD1-N 3.37Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 3.35Å; Q17-Q20 PolarHBondContact O-N 3.39Å; Q17-L21 HydrophobicContact CG-CD1 4.24Å; Q17-L21 HydrophobicContact CG-CG 4.42Å; Q17-L21 WeakPolarHBondContact O-CB 3.36Å; Q17-L21 WeakPolarHBondContact O-CG 3.46Å; Q17-L21 PolarHBondContact O-N 2.98Å; Q17-R145 VanDerWaalsContact NE2-NH1 3.19Å
18D95.9Very high94.6Very high5 Ų558 Ų583%0.02729%0.294CS..Hα-helixtrans-59.6-45.1173.2-74.2-31.8000110.8L14 D15 L21 I22 R145 S149 R152L14-D18 HydrophobicContact CB-CB 3.98Å; L14-D18 HydrophobicContact CD2-CB 3.95Å; D15-D18 PolarHBondContact N-OD2 2.85Å; D15-D18 PolarHBondContact O-N 2.97Å; D15-D18 PolarHBondContact OD1-N 2.94Å; D18-L21 PolarHBondContact O-N 3.33Å; D18-I22 WeakPolarHBondContact O-CD1 3.35Å; D18-I22 VanDerWaalsContact O-CG1 3.25Å; D18-I22 WeakPolarHBondContact O-CG1 3.49Å; D18-I22 PolarHBondContact O-N 3.14Å; D18-R145 IonicContact OD1-NE 3.98Å; D18-S149 PolarHBondContact OD1-OG 2.9Å; D18-R152 IonicContact OD1-NH1 3.15Å; D18-R152 PolarHBondContact OD1-NH1 3.31Å; D18-R152 IonicContact OD2-CZ 3.86Å; D18-R152 IonicContact OD2-NH1 3.34Å; D18-R152 PolarHBondContact OD2-NH1 3.28Å
19R96.1Very high94.9Very high19 Ų1958.2 Ų58.27%0.07229%0.294CS..Hα-helixtrans-61-47176.5-74.6175.649.5-176.6-4.1111.6L14 D15 E16 Q17 I22 G23 C89 D92L14-R19 HydrophobicContact CB-CG 4.15Å; D15-R19 PolarHBondContact O-N 2.98Å; D15-R19 VanDerWaalsContact O-N 3.11Å; E16-R19 PolarHBondContact O-N 3.06Å; E16-R19 IonicContact OE2-CZ 3.5Å; E16-R19 IonicContact OE2-NH1 3.84Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 3.35Å; R19-I22 PolarHBondContact O-N 3.16Å; R19-G23 PolarHBondContact O-N 3.5Å; R19-C89 HydrophobicContact CB-CB 4.29Å; R19-C89 VanDerWaalsContact CZ-O 3.3Å; R19-C89 PolarHBondContact NE-O 3.27Å; R19-C89 PolarHBondContact NH2-O 3.42Å; R19-D92 IonicContact CZ-OD1 3.92Å; R19-D92 IonicContact NH1-OD1 2.98Å; R19-D92 PolarHBondContact NH1-OD1 3.34Å; R19-D92 IonicContact NH2-OD1 2.67Å; R19-D92 PolarHBondContact NH2-OD1 2.9Å
20Q96.5Very high95.2Very high95 Ų9557.1 Ų57.144%0.44428%0.282SS..Hα-helixtrans-60.4-46.7177.3-72.6174.35.900111.8E16 Q17 I22 G23 E24E16-Q20 VanDerWaalsContact O-CG 3.31Å; E16-Q20 WeakPolarHBondContact O-CG 3.39Å; E16-Q20 PolarHBondContact O-N 3.16Å; E16-Q20 PolarHBondContact OE1-NE2 3.28Å; Q17-Q20 PolarHBondContact O-N 3.39Å; Q20-I22 PolarHBondContact O-N 3.42Å; Q20-G23 PolarHBondContact O-N 2.91Å; Q20-E24 WeakPolarHBondContact O-CB 3.21Å; Q20-E24 WeakPolarHBondContact O-CG 3.49Å; Q20-E24 PolarHBondContact O-N 3.1Å
21L96.4Very high95.5Very high35 Ų3556.8 Ų56.818%0.18329%0.285CS..Hα-helixtrans-62.3-42179.2-69.9175.5000112Q17 D18 S25 R145 V146Q17-L21 HydrophobicContact CG-CD1 4.24Å; Q17-L21 HydrophobicContact CG-CG 4.42Å; Q17-L21 WeakPolarHBondContact O-CB 3.36Å; Q17-L21 WeakPolarHBondContact O-CG 3.46Å; Q17-L21 PolarHBondContact O-N 2.98Å; D18-L21 PolarHBondContact O-N 3.33Å; L21-S25 VanDerWaalsContact O-CB 3.29Å; L21-S25 WeakPolarHBondContact O-CB 3.42Å; L21-S25 PolarHBondContact O-N 3.3Å; L21-S25 PolarHBondContact O-OG 3.03Å; L21-R145 HydrophobicContact CD1-CB 4.07Å; L21-R145 HydrophobicContact CD1-CG 3.6Å; L21-V146 HydrophobicContact CB-CG2 4.34Å; L21-V146 HydrophobicContact CD1-CG2 4.31Å; L21-V146 HydrophobicContact CD2-CG2 4.02Å; L21-V146 HydrophobicContact CG-CG2 4.44Å
22I97.2Very high95.8Very high0 Ų056.7 Ų56.70%028%0.277CS..Hα-helixtrans-63.3-51.1175.2-69.1165.1000110.1L14 D18 R19 Q20 E24 S25 W26 I85 W150 L153L14-I22 HydrophobicContact CD1-CD1 4.02Å; L14-I22 HydrophobicContact CD2-CD1 4.07Å; D18-I22 WeakPolarHBondContact O-CD1 3.35Å; D18-I22 VanDerWaalsContact O-CG1 3.25Å; D18-I22 WeakPolarHBondContact O-CG1 3.49Å; D18-I22 PolarHBondContact O-N 3.14Å; R19-I22 PolarHBondContact O-N 3.16Å; Q20-I22 PolarHBondContact O-N 3.42Å; I22-E24 PolarHBondContact O-N 3.36Å; I22-S25 PolarHBondContact O-N 3.41Å; I22-S25 PolarHBondContact O-OG 3.48Å; I22-S25 VanDerWaalsContact O-OG 3.1Å; I22-W26 VanDerWaalsContact O-CB 3.28Å; I22-W26 WeakPolarHBondContact O-CB 3.45Å; I22-W26 PolarHBondContact O-N 3.19Å; I22-I85 HydrophobicContact CG2-CG1 4.36Å; I22-W150 HydrophobicContact CG1-CD2 4.46Å; I22-W150 HydrophobicContact CG1-CG 4.48Å; I22-W150 HydrophobicContact CG2-CD2 4.45Å; I22-W150 HydrophobicContact CG2-CH2 4Å; I22-W150 HydrophobicContact CG2-CZ2 3.79Å; I22-W150 HydrophobicContact CG2-CZ3 4.4Å; I22-L153 HydrophobicContact CD1-CB 4.28Å; I22-L153 HydrophobicContact CD1-CD2 4.2Å; I22-L153 HydrophobicContact CG2-CD2 4.06Å
23G96.6Very high96Very high4 Ų457.2 Ų57.24%0.04128%0.282CS..Hα-helixtrans-62.6-41-178.500000113.3R19 Q20 R27R19-G23 PolarHBondContact O-N 3.5Å; Q20-G23 PolarHBondContact O-N 2.91Å; G23-R27 WeakPolarHBondContact O-CB 3.43Å; G23-R27 VanDerWaalsContact O-CG 3.3Å; G23-R27 WeakPolarHBondContact O-CG 3.47Å; G23-R27 PolarHBondContact O-N 3.3Å; G23-R27 VanDerWaalsContact O-N 3.07Å; G23-R27 PolarHBondContact O-NE 2.85Å
24E96.2Very high96.1Very high79 Ų7955 Ų5537%0.36927%0.273SS..Hα-helixtrans-67.7-48.3176.1-75.7-178.2-174.500112.7Q20 I22 W26 R27 K28Q20-E24 WeakPolarHBondContact O-CB 3.21Å; Q20-E24 WeakPolarHBondContact O-CG 3.49Å; Q20-E24 PolarHBondContact O-N 3.1Å; I22-E24 PolarHBondContact O-N 3.36Å; E24-W26 VanDerWaalsContact C-N 3.3Å; E24-W26 PolarHBondContact O-N 3.07Å; E24-R27 PolarHBondContact O-N 3.08Å; E24-K28 VanDerWaalsContact O-CG 3.29Å; E24-K28 WeakPolarHBondContact O-CG 3.44Å; E24-K28 PolarHBondContact O-N 3.44Å
25S96.4Very high96.3Very high11 Ų1155.9 Ų55.98%0.07728%0.276CS..Hα-helixtrans-65.7-34.5179.655.60000112L21 I22 K28 W150L21-S25 VanDerWaalsContact O-CB 3.29Å; L21-S25 WeakPolarHBondContact O-CB 3.42Å; L21-S25 PolarHBondContact O-N 3.3Å; L21-S25 PolarHBondContact O-OG 3.03Å; I22-S25 PolarHBondContact O-N 3.41Å; I22-S25 PolarHBondContact O-OG 3.48Å; I22-S25 VanDerWaalsContact O-OG 3.1Å; S25-K28 PolarHBondContact O-N 2.93Å; S25-W150 PolarHBondContact OG-NE1 3.4Å
26W97Very high96.5Very high9 Ų952.5 Ų52.53%0.03426%0.258CS..Hα-helixtrans-62.7-46.8170.6-177.9-112.6000112.4I22 E24 K28 I29 H32 W35 W81 R82 I85 I135 W150I22-W26 VanDerWaalsContact O-CB 3.28Å; I22-W26 WeakPolarHBondContact O-CB 3.45Å; I22-W26 PolarHBondContact O-N 3.19Å; E24-W26 VanDerWaalsContact C-N 3.3Å; E24-W26 PolarHBondContact O-N 3.07Å; W26-K28 VanDerWaalsContact C-N 3.32Å; W26-K28 PolarHBondContact O-N 3.41Å; W26-I29 HydrophobicContact CD2-CD1 4.34Å; W26-I29 HydrophobicContact CE3-CD1 3.61Å; W26-I29 HydrophobicContact CZ3-CD1 3.94Å; W26-I29 WeakPolarHBondContact O-CB 3.44Å; W26-I29 PolarHBondContact O-N 3.46Å; W26-H32 AromaticContact CD1-NE2 3.78Å; W26-H32 AromaticContact CD2-CD2 3.84Å; W26-H32 AromaticContact CD2-NE2 3.7Å; W26-H32 AromaticContact CE2-CD2 3.44Å; W26-H32 VanDerWaalsContact CE2-CD2 3.44Å; W26-H32 AromaticContact CE2-CE1 3.92Å; W26-H32 AromaticContact CE2-CG 3.99Å; W26-H32 AromaticContact CE2-NE2 3.4Å; W26-H32 AromaticContact CG-NE2 3.94Å; W26-H32 HydrophobicContact CH2-CB 4.33Å; W26-H32 AromaticContact CH2-CD2 3.74Å; W26-H32 HydrophobicContact CZ2-CB 4.12Å; W26-H32 AromaticContact CZ2-CD2 3.41Å; W26-H32 VanDerWaalsContact CZ2-CD2 3.41Å; W26-H32 WeakPolarHBondContact CZ2-CD2 3.4Å; W26-H32 AromaticContact CZ2-CG 3.65Å; W26-H32 AromaticContact CZ2-NE2 3.86Å; W26-H32 AromaticContact NE1-CD2 3.94Å; W26-H32 AromaticContact NE1-CE1 3.61Å; W26-H32 AromaticContact NE1-NE2 3.43Å; W26-H32 PolarHBondContact NE1-NE2 3.01Å; W26-H32 PolarHBondContact O-NE2 2.95Å; W26-W35 HydrophobicContact CH2-CE3 4.1Å; W26-W35 HydrophobicContact CH2-CH2 4.21Å; W26-W35 AromaticContact CH2-CZ3 3.63Å; W26-W35 HydrophobicContact CH2-CZ3 3.63Å; W26-W35 HydrophobicContact CZ3-CE3 4.12Å; W26-W35 AromaticContact CZ3-CH2 3.77Å; W26-W35 HydrophobicContact CZ3-CH2 3.77Å; W26-W35 HydrophobicContact CZ3-CZ2 4.39Å; W26-W35 AromaticContact CZ3-CZ3 3.62Å; W26-W35 HydrophobicContact CZ3-CZ3 3.62Å; W26-W81 HydrophobicContact CH2-CB 3.37Å; W26-W81 HydrophobicContact CH2-CG 4.21Å; W26-W81 HydrophobicContact CZ2-CB 3.7Å; W26-W81 HydrophobicContact CZ3-CB 3.97Å; W26-W81 HydrophobicContact CZ3-CG 4.48Å; W26-R82 HydrophobicContact CZ2-CB 4.37Å; W26-I85 HydrophobicContact CB-CD1 3.79Å; W26-I85 HydrophobicContact CD2-CD1 3.26Å; W26-I85 HydrophobicContact CE3-CD1 3.72Å; W26-I85 HydrophobicContact CG-CD1 3.28Å; W26-I85 HydrophobicContact CZ2-CD1 4.39Å; W26-I85 HydrophobicContact CZ3-CD1 4.44Å; W26-I135 HydrophobicContact CE3-CD1 4.27Å; W26-I135 HydrophobicContact CZ3-CD1 4.35Å; W26-W150 HydrophobicContact CB-CH2 4.29Å; W26-W150 HydrophobicContact CB-CZ2 4.02Å; W26-W150 HydrophobicContact CD2-CH2 4.41Å; W26-W150 AromaticContact CE3-CH2 3.77Å; W26-W150 HydrophobicContact CE3-CH2 3.77Å; W26-W150 HydrophobicContact CE3-CZ2 4.31Å
27R95.9Very high96.6Very high167 Ų16748.8 Ų48.863%0.6324%0.241SC*.Hα-helixtrans-64.3-35.1178.9-76.4-178.7-68.8149.6-5.3112.7G23 E24 I29 G30G23-R27 WeakPolarHBondContact O-CB 3.43Å; G23-R27 VanDerWaalsContact O-CG 3.3Å; G23-R27 WeakPolarHBondContact O-CG 3.47Å; G23-R27 PolarHBondContact O-N 3.3Å; G23-R27 VanDerWaalsContact O-N 3.07Å; G23-R27 PolarHBondContact O-NE 2.85Å; E24-R27 PolarHBondContact O-N 3.08Å; R27-I29 PolarHBondContact O-N 3.23Å; R27-I29 VanDerWaalsContact O-N 3.16Å; R27-G30 PolarHBondContact O-N 3.49Å
28K95.9Very high96.6Very high166 Ų16652.4 Ų52.472%0.72225%0.251SS*.Hα-helixtrans-60.7-21.3178.9-78.2171-176169.30114.2E24 S25 W26 G30E24-K28 VanDerWaalsContact O-CG 3.29Å; E24-K28 WeakPolarHBondContact O-CG 3.44Å; E24-K28 PolarHBondContact O-N 3.44Å; S25-K28 PolarHBondContact O-N 2.93Å; W26-K28 VanDerWaalsContact C-N 3.32Å; W26-K28 PolarHBondContact O-N 3.41Å; K28-G30 VanDerWaalsContact C-N 3.29Å; K28-G30 PolarHBondContact O-N 3.08Å
29I96.1Very high96.7Very high41 Ų4152.5 Ų52.521%0.2125%0.251CS..THydrogen-bonded Turntrans-64.4-34.3179.1-62.1168.9000111.8W26 R27 D31 W35 I135W26-I29 HydrophobicContact CD2-CD1 4.34Å; W26-I29 HydrophobicContact CE3-CD1 3.61Å; W26-I29 HydrophobicContact CZ3-CD1 3.94Å; W26-I29 WeakPolarHBondContact O-CB 3.44Å; W26-I29 PolarHBondContact O-N 3.46Å; R27-I29 PolarHBondContact O-N 3.23Å; R27-I29 VanDerWaalsContact O-N 3.16Å; I29-D31 PolarHBondContact O-N 3.25Å; I29-W35 HydrophobicContact CD1-CD2 4.37Å; I29-W35 HydrophobicContact CD1-CG 4.43Å; I29-W35 HydrophobicContact CG2-CB 3.41Å; I29-W35 VanDerWaalsContact CG2-CB 3.41Å; I29-W35 HydrophobicContact CG2-CD2 4.48Å; I29-W35 HydrophobicContact CG2-CG 3.68Å; I29-I135 HydrophobicContact CD1-CB 4.47Å; I29-I135 HydrophobicContact CD1-CD1 4.38Å; I29-I135 HydrophobicContact CD1-CG1 3.85Å; I29-I135 HydrophobicContact CD1-CG2 4.24Å
30G95.2Very high96.7Very high51 Ų5151.7 Ų51.753%0.52625%0.248SC..  trans75.2-101.6-173.600000112R27 K28 H32R27-G30 PolarHBondContact O-N 3.49Å; K28-G30 VanDerWaalsContact C-N 3.29Å; K28-G30 PolarHBondContact O-N 3.08Å; G30-H32 PolarHBondContact O-N 3.16Å; G30-H32 VanDerWaalsContact O-N 3.08Å; G30-H32 PolarHBondContact O-ND1 3.41Å
31D97.2Very high96.7Very high94 Ų9448.2 Ų48.250%0.50324%0.236SC..  trans-77.994-179-174.4-17.5000111.3I29 A33 L34 W35I29-D31 PolarHBondContact O-N 3.25Å; D31-A33 VanDerWaalsContact C-N 3.31Å; D31-A33 PolarHBondContact O-N 2.93Å; D31-A33 PolarHBondContact OD1-N 3.26Å; D31-L34 HydrophobicContact CB-CB 3.94Å; D31-L34 PolarHBondContact O-N 2.93Å; D31-L34 PolarHBondContact OD1-N 3.42Å; D31-L34 WeakPolarHBondContact OD2-CB 3.32Å; D31-W35 WeakPolarHBondContact O-CB 3.28Å; D31-W35 PolarHBondContact O-N 3.4Å
32H97.9Very high96.6Very high41 Ų4150.8 Ų50.819%0.1925%0.245CC..Hα-helixtrans-65.4-30.4179.9-57.5113.6000113.3W26 G30 A36 A78W26-H32 AromaticContact CD1-NE2 3.78Å; W26-H32 AromaticContact CD2-CD2 3.84Å; W26-H32 AromaticContact CD2-NE2 3.7Å; W26-H32 AromaticContact CE2-CD2 3.44Å; W26-H32 VanDerWaalsContact CE2-CD2 3.44Å; W26-H32 AromaticContact CE2-CE1 3.92Å; W26-H32 AromaticContact CE2-CG 3.99Å; W26-H32 AromaticContact CE2-NE2 3.4Å; W26-H32 AromaticContact CG-NE2 3.94Å; W26-H32 HydrophobicContact CH2-CB 4.33Å; W26-H32 AromaticContact CH2-CD2 3.74Å; W26-H32 HydrophobicContact CZ2-CB 4.12Å; W26-H32 AromaticContact CZ2-CD2 3.41Å; W26-H32 VanDerWaalsContact CZ2-CD2 3.41Å; W26-H32 WeakPolarHBondContact CZ2-CD2 3.4Å; W26-H32 AromaticContact CZ2-CG 3.65Å; W26-H32 AromaticContact CZ2-NE2 3.86Å; W26-H32 AromaticContact NE1-CD2 3.94Å; W26-H32 AromaticContact NE1-CE1 3.61Å; W26-H32 AromaticContact NE1-NE2 3.43Å; W26-H32 PolarHBondContact NE1-NE2 3.01Å; W26-H32 PolarHBondContact O-NE2 2.95Å; G30-H32 PolarHBondContact O-N 3.16Å; G30-H32 VanDerWaalsContact O-N 3.08Å; G30-H32 PolarHBondContact O-ND1 3.41Å; H32-A36 WeakPolarHBondContact O-CB 3.46Å; H32-A36 PolarHBondContact O-N 2.87Å; H32-A78 HydrophobicContact CB-CB 3.78Å
33A97.4Very high96.5Very high13 Ų1350.9 Ų50.911%0.10725%0.246CC..Hα-helixtrans-72-41.217900000110.8D31 A36 Q37D31-A33 VanDerWaalsContact C-N 3.31Å; D31-A33 PolarHBondContact O-N 2.93Å; D31-A33 PolarHBondContact OD1-N 3.26Å; A33-A36 PolarHBondContact O-N 2.98Å; A33-Q37 WeakPolarHBondContact O-CG 3.42Å; A33-Q37 PolarHBondContact O-N 3.43Å; A33-Q37 PolarHBondContact O-NE2 3.38Å
34L96.8Very high96.4Very high57 Ų5751.5 Ų51.530%0.29825%0.247SC..Hα-helixtrans-67.1-38.9173.1-178.360.1000111.9D31 Q37 R38D31-L34 HydrophobicContact CB-CB 3.94Å; D31-L34 PolarHBondContact O-N 2.93Å; D31-L34 PolarHBondContact OD1-N 3.42Å; D31-L34 WeakPolarHBondContact OD2-CB 3.32Å; L34-Q37 PolarHBondContact O-N 3.38Å; L34-R38 WeakPolarHBondContact O-CG 3.45Å; L34-R38 PolarHBondContact O-N 2.87Å
35W97.6Very high96.2Very high20 Ų2054.3 Ų54.38%0.07626%0.263CS..Hα-helixtrans-56.9-49171.4163.580.5000111.6W26 I29 D31 Q37 R38 L39 F77 I131 S134 I135W26-W35 HydrophobicContact CH2-CE3 4.1Å; W26-W35 HydrophobicContact CH2-CH2 4.21Å; W26-W35 AromaticContact CH2-CZ3 3.63Å; W26-W35 HydrophobicContact CH2-CZ3 3.63Å; W26-W35 HydrophobicContact CZ3-CE3 4.12Å; W26-W35 AromaticContact CZ3-CH2 3.77Å; W26-W35 HydrophobicContact CZ3-CH2 3.77Å; W26-W35 HydrophobicContact CZ3-CZ2 4.39Å; W26-W35 AromaticContact CZ3-CZ3 3.62Å; W26-W35 HydrophobicContact CZ3-CZ3 3.62Å; I29-W35 HydrophobicContact CD1-CD2 4.37Å; I29-W35 HydrophobicContact CD1-CG 4.43Å; I29-W35 HydrophobicContact CG2-CB 3.41Å; I29-W35 VanDerWaalsContact CG2-CB 3.41Å; I29-W35 HydrophobicContact CG2-CD2 4.48Å; I29-W35 HydrophobicContact CG2-CG 3.68Å; D31-W35 WeakPolarHBondContact O-CB 3.28Å; D31-W35 PolarHBondContact O-N 3.4Å; W35-Q37 VanDerWaalsContact C-N 3.32Å; W35-Q37 PolarHBondContact O-N 3.15Å; W35-R38 PolarHBondContact O-N 2.98Å; W35-L39 HydrophobicContact CH2-CD2 4.08Å; W35-L39 HydrophobicContact CZ2-CD2 3.88Å; W35-L39 WeakPolarHBondContact O-CB 3.4Å; W35-L39 PolarHBondContact O-N 2.86Å; W35-F77 HydrophobicContact CH2-CD1 4.47Å; W35-F77 AromaticContact CH2-CE1 3.62Å; W35-F77 HydrophobicContact CH2-CE1 3.62Å; W35-F77 HydrophobicContact CH2-CZ 4.46Å; W35-F77 AromaticContact CZ3-CD1 3.99Å; W35-F77 HydrophobicContact CZ3-CD1 3.99Å; W35-F77 AromaticContact CZ3-CE1 3.58Å; W35-F77 HydrophobicContact CZ3-CE1 3.58Å; W35-I131 HydrophobicContact CZ2-CG2 4.31Å; W35-S134 PolarHBondContact NE1-OG 3.39Å; W35-I135 HydrophobicContact CH2-CD1 4.35Å; W35-I135 HydrophobicContact CZ2-CD1 3.82Å; W35-I135 HydrophobicContact CZ2-CG1 3.77Å
36A98.1Very high95.9Very high0 Ų056.7 Ų56.70%028%0.28CS..Hα-helixtrans-60.9-40.9177.400000111.7H32 A33 R38 L39 F40 C74 F77H32-A36 WeakPolarHBondContact O-CB 3.46Å; H32-A36 PolarHBondContact O-N 2.87Å; A33-A36 PolarHBondContact O-N 2.98Å; A36-R38 PolarHBondContact O-N 3.4Å; A36-L39 PolarHBondContact O-N 3.37Å; A36-F40 VanDerWaalsContact O-CD2 3.32Å; A36-F40 WeakPolarHBondContact O-CD2 3.44Å; A36-F40 PolarHBondContact O-N 3.25Å; A36-C74 HydrophobicContact CB-CB 3.81Å; A36-C74 WeakPolarHBondContact CB-O 3.38Å; A36-F77 HydrophobicContact CB-CD1 3.91Å
37Q97.3Very high95.6Very high23 Ų2357 Ų5711%0.10728%0.283CS..Hα-helixtrans-59.4-46.4174.7-731725900112A33 L34 W35 F40 A41 L65 F70 C74A33-Q37 WeakPolarHBondContact O-CG 3.42Å; A33-Q37 PolarHBondContact O-N 3.43Å; A33-Q37 PolarHBondContact O-NE2 3.38Å; L34-Q37 PolarHBondContact O-N 3.38Å; W35-Q37 VanDerWaalsContact C-N 3.32Å; W35-Q37 PolarHBondContact O-N 3.15Å; Q37-F40 PolarHBondContact O-N 3.29Å; Q37-A41 WeakPolarHBondContact O-CB 3.46Å; Q37-A41 PolarHBondContact O-N 3.37Å; Q37-L65 HydrophobicContact CB-CD2 4.4Å; Q37-F70 HydrophobicContact CB-CE1 4Å; Q37-F70 HydrophobicContact CB-CZ 4.46Å; Q37-F70 HydrophobicContact CG-CD1 4.47Å; Q37-F70 HydrophobicContact CG-CE1 3.92Å; Q37-C74 VanDerWaalsContact CA-SG 3.58Å; Q37-C74 HydrophobicContact CG-CB 3.68Å
38R95.8Very high95.3Very high171 Ų17152.9 Ų52.965%0.64528%0.278SS*.Hα-helixtrans-63.7-43.8177.7-69.8172.4178.3175.60.3111.9L34 W35 A36 K42L34-R38 WeakPolarHBondContact O-CG 3.45Å; L34-R38 PolarHBondContact O-N 2.87Å; W35-R38 PolarHBondContact O-N 2.98Å; A36-R38 PolarHBondContact O-N 3.4Å; R38-K42 PolarHBondContact O-N 3.43Å; R38-K42 VanDerWaalsContact O-N 3.09Å
39L96.7Very high94.9Very high6 Ų648.6 Ų48.63%0.03127%0.267CS..Hα-helixtrans-58.3-52.3176.8173.165.4000111.2W35 A36 K42 L43 F77 E130 I131W35-L39 HydrophobicContact CH2-CD2 4.08Å; W35-L39 HydrophobicContact CZ2-CD2 3.88Å; W35-L39 WeakPolarHBondContact O-CB 3.4Å; W35-L39 PolarHBondContact O-N 2.86Å; A36-L39 PolarHBondContact O-N 3.37Å; L39-K42 PolarHBondContact O-N 3.33Å; L39-L43 HydrophobicContact CD1-CD1 3.97Å; L39-L43 HydrophobicContact CD1-CG 4.32Å; L39-L43 HydrophobicContact CG-CD1 3.93Å; L39-L43 WeakPolarHBondContact O-CG 3.37Å; L39-L43 PolarHBondContact O-N 3.09Å; L39-F77 HydrophobicContact CD2-CE1 3.97Å; L39-F77 HydrophobicContact CD2-CZ 4.22Å; L39-E130 HydrophobicContact CD1-CB 3.7Å; L39-I131 HydrophobicContact CD1-CG1 4.4Å; L39-I131 HydrophobicContact CD2-CG1 3.69Å
40F96.7Very high94.7Very high2 Ų247.9 Ų47.91%0.00926%0.263CS..Hα-helixtrans-73.7-33.1-176.6-81.6-81.1000113.1A36 Q37 K42 L43 F44 L50 M54 F70 F73 F77 M127A36-F40 VanDerWaalsContact O-CD2 3.32Å; A36-F40 WeakPolarHBondContact O-CD2 3.44Å; A36-F40 PolarHBondContact O-N 3.25Å; Q37-F40 PolarHBondContact O-N 3.29Å; F40-K42 VanDerWaalsContact C-N 3.29Å; F40-K42 PolarHBondContact O-N 2.89Å; F40-L43 HydrophobicContact CD1-CD1 4.17Å; F40-L43 HydrophobicContact CE1-CD1 4.26Å; F40-L43 PolarHBondContact O-N 3.34Å; F40-F44 HydrophobicContact CD1-CE1 4.08Å; F40-F44 WeakPolarHBondContact O-CB 3.41Å; F40-F44 WeakPolarHBondContact O-CD1 3.46Å; F40-F44 VanDerWaalsContact O-CG 3.28Å; F40-F44 WeakPolarHBondContact O-CG 3.3Å; F40-F44 PolarHBondContact O-N 3.1Å; F40-L50 HydrophobicContact CD1-CD2 4.44Å; F40-L50 HydrophobicContact CE1-CD2 4.35Å; F40-M54 HydrophobicContact CE1-SD 4.5Å; F40-F70 HydrophobicContact CB-CE2 3.68Å; F40-F70 HydrophobicContact CB-CZ 3.91Å; F40-F73 AromaticContact CD1-CE1 3.74Å; F40-F73 HydrophobicContact CD1-CE1 3.74Å; F40-F73 HydrophobicContact CD1-CZ 4.26Å; F40-F73 AromaticContact CD2-CE1 3.65Å; F40-F73 HydrophobicContact CD2-CE1 3.65Å; F40-F73 HydrophobicContact CD2-CZ 4.48Å; F40-F73 AromaticContact CE1-CE1 3.59Å; F40-F73 HydrophobicContact CE1-CE1 3.59Å; F40-F73 AromaticContact CE1-CZ 3.66Å; F40-F73 HydrophobicContact CE1-CZ 3.66Å; F40-F73 AromaticContact CE2-CE1 3.51Å; F40-F73 HydrophobicContact CE2-CE1 3.51Å; F40-F73 AromaticContact CE2-CZ 3.93Å; F40-F73 HydrophobicContact CE2-CZ 3.93Å; F40-F73 AromaticContact CG-CE1 3.77Å; F40-F73 HydrophobicContact CG-CE1 3.77Å; F40-F73 AromaticContact CZ-CE1 3.49Å; F40-F73 HydrophobicContact CZ-CE1 3.49Å; F40-F73 VanDerWaalsContact CZ-CE1 3.49Å; F40-F73 AromaticContact CZ-CZ 3.49Å; F40-F73 HydrophobicContact CZ-CZ 3.49Å; F40-F73 VanDerWaalsContact CZ-CZ 3.49Å; F40-F77 HydrophobicContact CE2-CB 4.35Å; F40-F77 AromaticContact CE2-CD1 3.77Å; F40-F77 HydrophobicContact CE2-CD1 3.77Å; F40-F77 AromaticContact CE2-CD2 3.74Å; F40-F77 HydrophobicContact CE2-CD2 3.74Å; F40-F77 AromaticContact CE2-CE1 3.86Å; F40-F77 HydrophobicContact CE2-CE1 3.86Å; F40-F77 AromaticContact CE2-CE2 3.86Å; F40-F77 HydrophobicContact CE2-CE2 3.86Å; F40-F77 AromaticContact CE2-CG 3.68Å; F40-F77 HydrophobicContact CE2-CG 3.68Å; F40-F77 AromaticContact CE2-CZ 3.91Å; F40-F77 HydrophobicContact CE2-CZ 3.91Å; F40-F77 AromaticContact CZ-CD2 3.84Å; F40-F77 HydrophobicContact CZ-CD2 3.84Å; F40-F77 AromaticContact CZ-CE2 3.79Å; F40-F77 HydrophobicContact CZ-CE2 3.79Å; F40-F77 HydrophobicContact CZ-CG 4.26Å; F40-F77 HydrophobicContact CZ-CZ 4.16Å; F40-M127 HydrophobicContact CE1-CE 3.68Å; F40-M127 HydrophobicContact CZ-CE 4.04Å
41A95.6Very high94.5Very high23 Ų2345.7 Ų45.719%0.1924%0.24CC..Hα-helixtrans-58.4-43.6170.800000111.1Q37 I45 L64Q37-A41 WeakPolarHBondContact O-CB 3.46Å; Q37-A41 PolarHBondContact O-N 3.37Å; A41-I45 WeakPolarHBondContact O-CG1 3.41Å; A41-I45 PolarHBondContact O-N 3.48Å; A41-L64 HydrophobicContact CB-CD2 4.09Å
42K94.4Very high94.2Very high89 Ų8948.4 Ų48.439%0.38725%0.248SC..Hα-helixtrans-65-46.4173.7-174.3-177.3-177.6-170.80112R38 L39 F40 F44 I45 C46 E130R38-K42 PolarHBondContact O-N 3.43Å; R38-K42 VanDerWaalsContact O-N 3.09Å; L39-K42 PolarHBondContact O-N 3.33Å; F40-K42 VanDerWaalsContact C-N 3.29Å; F40-K42 PolarHBondContact O-N 2.89Å; K42-F44 VanDerWaalsContact C-N 3.3Å; K42-F44 PolarHBondContact O-N 3.45Å; K42-I45 PolarHBondContact O-N 3.21Å; K42-C46 PolarHBondContact O-N 2.93Å; K42-C46 VanDerWaalsContact O-N 3.1Å; K42-E130 WeakPolarHBondContact CD-OE2 3.43Å; K42-E130 WeakPolarHBondContact CE-OE2 3.35Å; K42-E130 IonicContact NZ-OE1 3.96Å; K42-E130 IonicContact NZ-OE2 2.68Å; K42-E130 PolarHBondContact NZ-OE2 3.5Å
43L94.8Very high93.8Very high1 Ų147.2 Ų47.21%0.00525%0.245CC..Hα-helixtrans-61.7-36.1179.9-77.8169.5000112.6L39 F40 I45 C46 C47 L50 R126 M127 E130L39-L43 HydrophobicContact CD1-CD1 3.97Å; L39-L43 HydrophobicContact CD1-CG 4.32Å; L39-L43 HydrophobicContact CG-CD1 3.93Å; L39-L43 WeakPolarHBondContact O-CG 3.37Å; L39-L43 PolarHBondContact O-N 3.09Å; F40-L43 HydrophobicContact CD1-CD1 4.17Å; F40-L43 HydrophobicContact CE1-CD1 4.26Å; F40-L43 PolarHBondContact O-N 3.34Å; L43-I45 VanDerWaalsContact C-N 3.3Å; L43-I45 PolarHBondContact O-N 3.4Å; L43-C46 PolarHBondContact O-N 3.45Å; L43-C47 WeakPolarHBondContact O-CA 3.45Å; L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 3.37Å; L43-L50 HydrophobicContact CB-CD2 4.1Å; L43-L50 HydrophobicContact CD1-CD2 4.46Å; L43-R126 HydrophobicContact CD2-CG 3.92Å; L43-M127 HydrophobicContact CD1-CB 4.46Å; L43-M127 HydrophobicContact CD1-CE 4.28Å; L43-M127 HydrophobicContact CD1-CG 4.09Å; L43-E130 HydrophobicContact CD2-CB 3.94Å; L43-E130 HydrophobicContact CD2-CG 3.63Å; L43-E130 HydrophobicContact CG-CB 4.34Å; L43-E130 HydrophobicContact CG-CG 4.35Å
44F94.5Very high93.4Very high17 Ų1748 Ų488%0.07525%0.247CC..Hα-helixtrans-67.3-32178.1-73.1-1.2000112.9F40 K42 L50 A51 M54 M56 L64 F70F40-F44 HydrophobicContact CD1-CE1 4.08Å; F40-F44 WeakPolarHBondContact O-CB 3.41Å; F40-F44 WeakPolarHBondContact O-CD1 3.46Å; F40-F44 VanDerWaalsContact O-CG 3.28Å; F40-F44 WeakPolarHBondContact O-CG 3.3Å; F40-F44 PolarHBondContact O-N 3.1Å; K42-F44 VanDerWaalsContact C-N 3.3Å; K42-F44 PolarHBondContact O-N 3.45Å; F44-L50 HydrophobicContact CD1-CD2 4.33Å; F44-L50 HydrophobicContact CD1-CG 4.28Å; F44-L50 HydrophobicContact CE1-CD2 4.24Å; F44-L50 HydrophobicContact CE1-CG 4.01Å; F44-A51 HydrophobicContact CB-CB 3.85Å; F44-A51 HydrophobicContact CD1-CB 3.84Å; F44-A51 HydrophobicContact CD2-CB 4.12Å; F44-A51 HydrophobicContact CE1-CB 4.42Å; F44-A51 HydrophobicContact CG-CB 3.67Å; F44-M54 HydrophobicContact CE1-CE 4.31Å; F44-M54 HydrophobicContact CE1-SD 3.5Å; F44-M54 WeakPolarHBondContact CE1-SD 3.33Å; F44-M54 HydrophobicContact CZ-CB 4.18Å; F44-M54 HydrophobicContact CZ-CE 3.74Å; F44-M54 HydrophobicContact CZ-CG 4.44Å; F44-M54 HydrophobicContact CZ-SD 3.49Å; F44-M54 WeakPolarHBondContact CZ-SD 3.14Å; F44-M56 HydrophobicContact CD2-CB 4.27Å; F44-M56 HydrophobicContact CE2-CB 3.63Å; F44-M56 HydrophobicContact CE2-CG 4.19Å; F44-M56 HydrophobicContact CE2-SD 3.51Å; F44-M56 VanDerWaalsContact CE2-SD 3.51Å; F44-M56 HydrophobicContact CZ-CB 4.24Å; F44-M56 HydrophobicContact CZ-SD 3.68Å; F44-L64 HydrophobicContact CD2-CD1 4.13Å; F44-L64 HydrophobicContact CD2-CD2 3.96Å; F44-L64 HydrophobicContact CE2-CD1 4.02Å; F44-F70 HydrophobicContact CE2-CD2 4.07Å; F44-F70 AromaticContact CE2-CE2 3.85Å; F44-F70 HydrophobicContact CE2-CE2 3.85Å; F44-F70 HydrophobicContact CZ-CE2 4.27Å
45I92.2Very high93.2Very high138 Ų13848 Ų4871%0.70825%0.252SS*.Hα-helixtrans-69-48.1172.9-63.4166.6000110.1A41 K42 L43A41-I45 WeakPolarHBondContact O-CG1 3.41Å; A41-I45 PolarHBondContact O-N 3.48Å; K42-I45 PolarHBondContact O-N 3.21Å; L43-I45 VanDerWaalsContact C-N 3.3Å; L43-I45 PolarHBondContact O-N 3.4Å
46C90.2Very high93Very high62 Ų6247.4 Ų47.442%0.41925%0.25SC..Hα-helixtrans-83.5-13.6-174.9-59.80000114.4K42 L43K42-C46 PolarHBondContact O-N 2.93Å; K42-C46 VanDerWaalsContact O-N 3.1Å; L43-C46 PolarHBondContact O-N 3.45Å
47C90.6Very high92.7Very high14 Ų1450.5 Ų50.510%0.09527%0.271CS..  trans-140.573.9-177.4-165.80000110.8L43 P49 L50 A51L43-C47 WeakPolarHBondContact O-CA 3.45Å; L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 3.37Å; C47-P49 VanDerWaalsContact C-N 3.3Å; C47-L50 HydrophobicContact CB-CB 4.23Å; C47-L50 WeakPolarHBondContact O-CB 3.38Å; C47-L50 PolarHBondContact O-N 3.49Å; C47-A51 PolarHBondContact O-N 3.31Å
48P89.9Confident92.4Very high81 Ų8157.8 Ų57.853%0.52631%0.305SS..Hα-helixtrans-53.4-35.1178.4-25.734.1000115.4L50 A51 K52P48-L50 VanDerWaalsContact C-N 3.26Å; P48-L50 PolarHBondContact O-N 3.2Å; P48-A51 PolarHBondContact O-N 3.41Å; P48-K52 PolarHBondContact O-N 2.94Å
49P88.8Confident92.2Very high77 Ų7752.1 Ų52.150%0.529%0.288SS..Hα-helixtrans-57.4-36.6174.3-27.836.8000113.6C47 K52 A53C47-P49 VanDerWaalsContact C-N 3.3Å; P49-K52 PolarHBondContact O-N 3.25Å; P49-A53 WeakPolarHBondContact O-CB 3.49Å; P49-A53 PolarHBondContact O-N 2.9Å
50L90.5Very high91.8Very high25 Ų2556 Ų5613%0.13132%0.315CS..Hα-helixtrans-66-45.5177-179.963.9000111.1F40 L43 F44 C47 P48 K52 A53 M54 V123 M127F40-L50 HydrophobicContact CD1-CD2 4.44Å; F40-L50 HydrophobicContact CE1-CD2 4.35Å; L43-L50 HydrophobicContact CB-CD2 4.1Å; L43-L50 HydrophobicContact CD1-CD2 4.46Å; F44-L50 HydrophobicContact CD1-CD2 4.33Å; F44-L50 HydrophobicContact CD1-CG 4.28Å; F44-L50 HydrophobicContact CE1-CD2 4.24Å; F44-L50 HydrophobicContact CE1-CG 4.01Å; C47-L50 HydrophobicContact CB-CB 4.23Å; C47-L50 WeakPolarHBondContact O-CB 3.38Å; C47-L50 PolarHBondContact O-N 3.49Å; P48-L50 VanDerWaalsContact C-N 3.26Å; P48-L50 PolarHBondContact O-N 3.2Å; L50-K52 VanDerWaalsContact C-N 3.28Å; L50-K52 PolarHBondContact O-N 3.42Å; L50-A53 PolarHBondContact O-N 3.32Å; L50-M54 HydrophobicContact CD1-SD 4.15Å; L50-M54 HydrophobicContact CG-SD 4.28Å; L50-M54 WeakPolarHBondContact O-CG 3.43Å; L50-M54 PolarHBondContact O-N 2.85Å; L50-V123 HydrophobicContact CB-CG1 4.39Å; L50-V123 HydrophobicContact CD1-CG1 4.44Å; L50-M127 HydrophobicContact CD1-CE 4.26Å; L50-M127 HydrophobicContact CD2-CE 3.75Å
51A92.4Very high91.5Very high5 Ų558.5 Ų58.54%0.04134%0.341CS..Hα-helixtrans-60.2-40176.100000111.6F44 C47 P48 M54 S55 M56 S57F44-A51 HydrophobicContact CB-CB 3.85Å; F44-A51 HydrophobicContact CD1-CB 3.84Å; F44-A51 HydrophobicContact CD2-CB 4.12Å; F44-A51 HydrophobicContact CE1-CB 4.42Å; F44-A51 HydrophobicContact CG-CB 3.67Å; C47-A51 PolarHBondContact O-N 3.31Å; P48-A51 PolarHBondContact O-N 3.41Å; A51-M54 PolarHBondContact O-N 2.99Å; A51-S55 PolarHBondContact O-N 3.49Å; A51-S55 VanDerWaalsContact O-N 3.15Å; A51-M56 PolarHBondContact O-N 3.07Å; A51-S57 PolarHBondContact O-N 3.24Å
52K90.5Very high91.5Very high152 Ų15265.5 Ų65.566%0.66137%0.367SS*.Hα-helixtrans-65-45.8175.4-173178.6-179.4179.60112P48 P49 L50 M54 S55P48-K52 PolarHBondContact O-N 2.94Å; P49-K52 PolarHBondContact O-N 3.25Å; L50-K52 VanDerWaalsContact C-N 3.28Å; L50-K52 PolarHBondContact O-N 3.42Å; K52-M54 PolarHBondContact O-N 2.92Å; K52-S55 PolarHBondContact O-N 2.96Å
53A88.3Confident91.5Very high16 Ų1666.4 Ų66.413%0.13238%0.376CS..Hα-helixtrans-59-36177.300000112P49 L50 S55 K116P49-A53 WeakPolarHBondContact O-CB 3.49Å; P49-A53 PolarHBondContact O-N 2.9Å; L50-A53 PolarHBondContact O-N 3.32Å; A53-S55 VanDerWaalsContact C-N 3.3Å; A53-S55 PolarHBondContact O-N 3.43Å; A53-K116 VanDerWaalsContact CB-O 3.29Å; A53-K116 WeakPolarHBondContact CB-O 3.5Å
54M90.1Very high91.5Very high29 Ų2966.7 Ų66.714%0.14338%0.377CS..THydrogen-bonded Turntrans-83.2-0.9176.9-66.6-177.763.800114.3F40 F44 L50 A51 K52 M56 F73F40-M54 HydrophobicContact CE1-SD 4.5Å; F44-M54 HydrophobicContact CE1-CE 4.31Å; F44-M54 HydrophobicContact CE1-SD 3.5Å; F44-M54 WeakPolarHBondContact CE1-SD 3.33Å; F44-M54 HydrophobicContact CZ-CB 4.18Å; F44-M54 HydrophobicContact CZ-CE 3.74Å; F44-M54 HydrophobicContact CZ-CG 4.44Å; F44-M54 HydrophobicContact CZ-SD 3.49Å; F44-M54 WeakPolarHBondContact CZ-SD 3.14Å; L50-M54 HydrophobicContact CD1-SD 4.15Å; L50-M54 HydrophobicContact CG-SD 4.28Å; L50-M54 WeakPolarHBondContact O-CG 3.43Å; L50-M54 PolarHBondContact O-N 2.85Å; A51-M54 PolarHBondContact O-N 2.99Å; K52-M54 PolarHBondContact O-N 2.92Å; M54-M56 VanDerWaalsContact C-N 3.27Å; M54-M56 HydrophobicContact CB-CG 4.37Å; M54-M56 HydrophobicContact CB-SD 4.17Å; M54-M56 HydrophobicContact CE-CE 4.37Å; M54-M56 HydrophobicContact CE-SD 4.02Å; M54-M56 PolarHBondContact O-N 3.43Å; M54-F73 HydrophobicContact CE-CD1 3.4Å; M54-F73 VanDerWaalsContact CE-CD1 3.4Å; M54-F73 HydrophobicContact CE-CD2 3.68Å; M54-F73 HydrophobicContact CE-CE1 3.3Å; M54-F73 HydrophobicContact CE-CE2 3.58Å; M54-F73 HydrophobicContact CE-CG 3.59Å; M54-F73 HydrophobicContact CE-CZ 3.38Å; M54-F73 HydrophobicContact SD-CE1 4.29Å; M54-F73 HydrophobicContact SD-CZ 4.09Å
55S91.8Very high91.5Very high58 Ų5869.1 Ų69.141%0.40639%0.391SS..THydrogen-bonded Turntrans57.438.1-176.2-49.40000113A51 K52 A53A51-S55 PolarHBondContact O-N 3.49Å; A51-S55 VanDerWaalsContact O-N 3.15Å; K52-S55 PolarHBondContact O-N 2.96Å; A53-S55 VanDerWaalsContact C-N 3.3Å; A53-S55 PolarHBondContact O-N 3.43Å
56M93.2Very high91.6Very high6 Ų668.1 Ų68.13%0.0339%0.387CS..  trans-121.78.7-178.7-68.3172.5179.600112.6F44 A51 M54 Q58 L59 L64 R69 F70F44-M56 HydrophobicContact CD2-CB 4.27Å; F44-M56 HydrophobicContact CE2-CB 3.63Å; F44-M56 HydrophobicContact CE2-CG 4.19Å; F44-M56 HydrophobicContact CE2-SD 3.51Å; F44-M56 VanDerWaalsContact CE2-SD 3.51Å; F44-M56 HydrophobicContact CZ-CB 4.24Å; F44-M56 HydrophobicContact CZ-SD 3.68Å; A51-M56 PolarHBondContact O-N 3.07Å; M54-M56 VanDerWaalsContact C-N 3.27Å; M54-M56 HydrophobicContact CB-CG 4.37Å; M54-M56 HydrophobicContact CB-SD 4.17Å; M54-M56 HydrophobicContact CE-CE 4.37Å; M54-M56 HydrophobicContact CE-SD 4.02Å; M54-M56 PolarHBondContact O-N 3.43Å; M56-Q58 PolarHBondContact O-N 3.35Å; M56-Q58 VanDerWaalsContact O-N 3.1Å; M56-L59 HydrophobicContact CG-CD1 4.39Å; M56-L59 PolarHBondContact O-N 3.45Å; M56-L59 VanDerWaalsContact O-N 3.07Å; M56-L64 HydrophobicContact CB-CD1 4.45Å; M56-R69 HydrophobicContact CE-CB 4.5Å; M56-R69 HydrophobicContact CE-CG 4.05Å; M56-F70 HydrophobicContact CE-CB 3.91Å; M56-F70 HydrophobicContact CE-CD2 4.22Å; M56-F70 HydrophobicContact SD-CB 4.17Å; M56-F70 HydrophobicContact SD-CD2 3.65Å; M56-F70 HydrophobicContact SD-CG 4.37Å
57S91.6Very high91.9Very high65 Ų6567.4 Ų67.446%0.45538%0.379SS..THydrogen-bonded Turntrans-64.2-16-176.660.80000114.8A51A51-S57 PolarHBondContact O-N 3.24Å
58Q91.9Very high92.2Very high176 Ų17671.2 Ų71.282%0.82240%0.402SS*.THydrogen-bonded Turntrans-94.7-5178-57-57.6-22.300113.1M56M56-Q58 PolarHBondContact O-N 3.35Å; M56-Q58 VanDerWaalsContact O-N 3.1Å
59L91.2Very high92.5Very high53 Ų5374.3 Ų74.328%0.27740%0.403SS..  trans-101.7135.8-178.9-59.3175.1000109.4M56 L64 N67M56-L59 HydrophobicContact CG-CD1 4.39Å; M56-L59 PolarHBondContact O-N 3.45Å; M56-L59 VanDerWaalsContact O-N 3.07Å; L59-L64 HydrophobicContact CB-CB 4.03Å; L59-L64 HydrophobicContact CB-CD1 3.92Å; L59-L64 HydrophobicContact CD1-CD1 4.31Å; L59-N67 HydrophobicContact CD1-CB 3.88Å; L59-N67 WeakPolarHBondContact CD1-ND2 3.25Å
60C89.8Confident92.9Very high88 Ų8870.7 Ų70.760%0.59538%0.379SS*.  trans-144.2166.8175.168.90000111.3K62 D63 L64C60-K62 PolarHBondContact O-N 2.98Å; C60-D63 PolarHBondContact O-N 3.07Å; C60-D63 VanDerWaalsContact O-N 3.07Å; C60-L64 PolarHBondContact O-N 3.45Å
61G90.3Very high93.2Very high54 Ų5474.9 Ų74.956%0.55739%0.393SS*.Hα-helixtrans49.5-127.5174.100000113.5D63 L65G61-D63 PolarHBondContact O-N 3.17Å; G61-L65 WeakPolarHBondContact O-CG 3.47Å; G61-L65 PolarHBondContact O-N 2.89Å
62K93.8Very high93.5Very high170 Ų17078.1 Ų78.174%0.73941%0.41SS*.Hα-helixtrans-66.8-33.2-178.9-67.9-177.4178.8178.90113C60 L64 L65 N66C60-K62 PolarHBondContact O-N 2.98Å; K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 PolarHBondContact O-N 3.48Å; K62-L65 PolarHBondContact O-N 3.07Å; K62-N66 WeakPolarHBondContact O-CB 3.29Å; K62-N66 PolarHBondContact O-N 3.4Å; K62-N66 PolarHBondContact O-ND2 3.17Å
63D94.9Very high93.7Very high108 Ų10872.8 Ų72.858%0.57839%0.386SS*.Hα-helixtrans-66.4-37.5-178.7-61.2-30.2000111.5C60 G61 N67C60-D63 PolarHBondContact O-N 3.07Å; C60-D63 VanDerWaalsContact O-N 3.07Å; G61-D63 PolarHBondContact O-N 3.17Å; D63-N67 WeakPolarHBondContact O-CB 3.36Å; D63-N67 PolarHBondContact O-N 2.9Å; D63-N67 VanDerWaalsContact O-N 3.16Å
64L95.3Very high94.2Very high7 Ų772 Ų724%0.03738%0.38CS..Hα-helixtrans-64-49.9172179.666.3000111.2A41 F44 M56 L59 C60 K62 N66 N67 F70A41-L64 HydrophobicContact CB-CD2 4.09Å; F44-L64 HydrophobicContact CD2-CD1 4.13Å; F44-L64 HydrophobicContact CD2-CD2 3.96Å; F44-L64 HydrophobicContact CE2-CD1 4.02Å; M56-L64 HydrophobicContact CB-CD1 4.45Å; L59-L64 HydrophobicContact CB-CB 4.03Å; L59-L64 HydrophobicContact CB-CD1 3.92Å; L59-L64 HydrophobicContact CD1-CD1 4.31Å; C60-L64 PolarHBondContact O-N 3.45Å; K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 PolarHBondContact O-N 3.48Å; L64-N66 VanDerWaalsContact C-N 3.25Å; L64-N66 PolarHBondContact O-N 2.8Å; L64-N67 WeakPolarHBondContact O-CB 3.39Å; L64-N67 PolarHBondContact O-N 2.9Å; L64-N67 VanDerWaalsContact O-N 3.11Å; L64-F70 HydrophobicContact CD1-CB 4.17Å; L64-F70 HydrophobicContact CD1-CD1 4.07Å; L64-F70 HydrophobicContact CD1-CD2 3.75Å; L64-F70 HydrophobicContact CD1-CE1 4.4Å; L64-F70 HydrophobicContact CD1-CE2 4.09Å; L64-F70 HydrophobicContact CD1-CG 3.72Å; L64-F70 HydrophobicContact CD1-CZ 4.4Å; L64-F70 HydrophobicContact CD2-CE1 4.41Å; L64-F70 HydrophobicContact CD2-CE2 4.43Å; L64-F70 HydrophobicContact CD2-CZ 4.19Å; L64-F70 HydrophobicContact CG-CD1 3.96Å; L64-F70 HydrophobicContact CG-CD2 4.34Å; L64-F70 HydrophobicContact CG-CE1 3.97Å; L64-F70 HydrophobicContact CG-CE2 4.33Å; L64-F70 HydrophobicContact CG-CG 4.15Å; L64-F70 HydrophobicContact CG-CZ 4.15Å; L64-F70 WeakPolarHBondContact O-CD1 3.43Å
65L94.5Very high94.5Very high68 Ų6874.2 Ų74.236%0.35639%0.39SS..Hα-helixtrans-64.5-30.2-176.8-63.9178.4000112.7Q37 G61 K62 F70 R71Q37-L65 HydrophobicContact CB-CD2 4.4Å; G61-L65 WeakPolarHBondContact O-CG 3.47Å; G61-L65 PolarHBondContact O-N 2.89Å; K62-L65 PolarHBondContact O-N 3.07Å; L65-F70 HydrophobicContact CD2-CE1 4.2Å; L65-R71 WeakPolarHBondContact O-CD 3.45Å; L65-R71 WeakPolarHBondContact O-CG 3.23Å
66N94.9Very high94.8Very high117 Ų11778.2 Ų78.263%0.62640%0.396SS*.Hα-helixtrans-87-9.3177.1-69.6-28.8000113.6K62 L64 V68K62-N66 WeakPolarHBondContact O-CB 3.29Å; K62-N66 PolarHBondContact O-N 3.4Å; K62-N66 PolarHBondContact O-ND2 3.17Å; L64-N66 VanDerWaalsContact C-N 3.25Å; L64-N66 PolarHBondContact O-N 2.8Å; N66-V68 PolarHBondContact O-N 3.33Å
67N96.5Very high95Very high46 Ų4679.4 Ų79.425%0.24640%0.401CS..  trans-69.5120-178.7-175.7-87.2000111.1L59 D63 L64 R69 F70 R71L59-N67 HydrophobicContact CD1-CB 3.88Å; L59-N67 WeakPolarHBondContact CD1-ND2 3.25Å; D63-N67 WeakPolarHBondContact O-CB 3.36Å; D63-N67 PolarHBondContact O-N 2.9Å; D63-N67 VanDerWaalsContact O-N 3.16Å; L64-N67 WeakPolarHBondContact O-CB 3.39Å; L64-N67 PolarHBondContact O-N 2.9Å; L64-N67 VanDerWaalsContact O-N 3.11Å; N67-R69 VanDerWaalsContact C-N 3.34Å; N67-R69 PolarHBondContact O-N 3.04Å; N67-R69 WeakPolarHBondContact OD1-CB 3.19Å; N67-R69 PolarHBondContact OD1-N 2.91Å; N67-R69 VanDerWaalsContact OD1-N 3.16Å; N67-F70 HydrophobicContact CB-CB 3.97Å; N67-F70 WeakPolarHBondContact O-CB 3.3Å; N67-F70 PolarHBondContact O-N 3.21Å; N67-F70 VanDerWaalsContact O-N 3.14Å; N67-F70 PolarHBondContact OD1-N 3.49Å; N67-R71 WeakPolarHBondContact O-CG 3.12Å; N67-R71 PolarHBondContact O-N 2.73Å
68V96.3Very high95.3Very high95 Ų9576.6 Ų76.658%0.57638%0.382SS*.Hα-helixtrans-57.2-45.9-177.71790000111.6N66 F70 R71 D72N66-V68 PolarHBondContact O-N 3.33Å; V68-F70 VanDerWaalsContact C-N 3.3Å; V68-F70 PolarHBondContact O-N 2.85Å; V68-R71 PolarHBondContact O-N 3.5Å; V68-D72 WeakPolarHBondContact O-CB 3.49Å; V68-D72 PolarHBondContact O-N 3.46Å
69R95.9Very high95.6Very high146 Ų14672.6 Ų72.655%0.55136%0.363SS*.Hα-helixtrans-62.6-37.2179.8-176.4-176.9178.1-177.21.4112.3M56 N67 F73M56-R69 HydrophobicContact CE-CB 4.5Å; M56-R69 HydrophobicContact CE-CG 4.05Å; N67-R69 VanDerWaalsContact C-N 3.34Å; N67-R69 PolarHBondContact O-N 3.04Å; N67-R69 WeakPolarHBondContact OD1-CB 3.19Å; N67-R69 PolarHBondContact OD1-N 2.91Å; N67-R69 VanDerWaalsContact OD1-N 3.16Å; R69-F73 WeakPolarHBondContact O-CB 3.33Å; R69-F73 PolarHBondContact O-N 3.26Å
70F96.8Very high95.9Very high0 Ų071.3 Ų71.30%036%0.356CS..Hα-helixtrans-66.3-49.1174.6178.2-111.7000111.4Q37 F40 F44 M56 L64 L65 N67 V68 D72 F73 C74Q37-F70 HydrophobicContact CB-CE1 4Å; Q37-F70 HydrophobicContact CB-CZ 4.46Å; Q37-F70 HydrophobicContact CG-CD1 4.47Å; Q37-F70 HydrophobicContact CG-CE1 3.92Å; F40-F70 HydrophobicContact CB-CE2 3.68Å; F40-F70 HydrophobicContact CB-CZ 3.91Å; F44-F70 HydrophobicContact CE2-CD2 4.07Å; F44-F70 AromaticContact CE2-CE2 3.85Å; F44-F70 HydrophobicContact CE2-CE2 3.85Å; F44-F70 HydrophobicContact CZ-CE2 4.27Å; M56-F70 HydrophobicContact CE-CB 3.91Å; M56-F70 HydrophobicContact CE-CD2 4.22Å; M56-F70 HydrophobicContact SD-CB 4.17Å; M56-F70 HydrophobicContact SD-CD2 3.65Å; M56-F70 HydrophobicContact SD-CG 4.37Å; L64-F70 HydrophobicContact CD1-CB 4.17Å; L64-F70 HydrophobicContact CD1-CD1 4.07Å; L64-F70 HydrophobicContact CD1-CD2 3.75Å; L64-F70 HydrophobicContact CD1-CE1 4.4Å; L64-F70 HydrophobicContact CD1-CE2 4.09Å; L64-F70 HydrophobicContact CD1-CG 3.72Å; L64-F70 HydrophobicContact CD1-CZ 4.4Å; L64-F70 HydrophobicContact CD2-CE1 4.41Å; L64-F70 HydrophobicContact CD2-CE2 4.43Å; L64-F70 HydrophobicContact CD2-CZ 4.19Å; L64-F70 HydrophobicContact CG-CD1 3.96Å; L64-F70 HydrophobicContact CG-CD2 4.34Å; L64-F70 HydrophobicContact CG-CE1 3.97Å; L64-F70 HydrophobicContact CG-CE2 4.33Å; L64-F70 HydrophobicContact CG-CG 4.15Å; L64-F70 HydrophobicContact CG-CZ 4.15Å; L64-F70 WeakPolarHBondContact O-CD1 3.43Å; L65-F70 HydrophobicContact CD2-CE1 4.2Å; N67-F70 HydrophobicContact CB-CB 3.97Å; N67-F70 WeakPolarHBondContact O-CB 3.3Å; N67-F70 PolarHBondContact O-N 3.21Å; N67-F70 VanDerWaalsContact O-N 3.14Å; N67-F70 PolarHBondContact OD1-N 3.49Å; V68-F70 VanDerWaalsContact C-N 3.3Å; V68-F70 PolarHBondContact O-N 2.85Å; F70-D72 VanDerWaalsContact C-N 3.35Å; F70-D72 PolarHBondContact O-N 3.03Å; F70-F73 WeakPolarHBondContact O-CB 3.24Å; F70-F73 PolarHBondContact O-N 2.65Å; F70-C74 PolarHBondContact O-N 3.3Å; F70-C74 PolarHBondContact O-SG 3.01Å; F70-C74 VanDerWaalsContact O-SG 3.37Å
71R97.5Very high96.3Very high114 Ų11467.5 Ų67.543%0.4333%0.329SS..Hα-helixtrans-58.1-47177-69.3177.763-158.2-3.2111.3L65 N67 V68 F73 C74 H75L65-R71 WeakPolarHBondContact O-CD 3.45Å; L65-R71 WeakPolarHBondContact O-CG 3.23Å; N67-R71 WeakPolarHBondContact O-CG 3.12Å; N67-R71 PolarHBondContact O-N 2.73Å; V68-R71 PolarHBondContact O-N 3.5Å; R71-F73 VanDerWaalsContact C-N 3.3Å; R71-F73 PolarHBondContact O-N 3.26Å; R71-C74 PolarHBondContact O-N 2.91Å; R71-C74 VanDerWaalsContact O-N 3.16Å; R71-H75 PolarHBondContact O-N 3.43Å; R71-H75 PolarHBondContact O-ND1 2.83Å
72D97.4Very high96.6Very high73 Ų7370.8 Ų70.839%0.3932%0.324SS..Hα-helixtrans-61.9-38.8178.3-67.3-12.4000112.1V68 F70 H75 R76V68-D72 WeakPolarHBondContact O-CB 3.49Å; V68-D72 PolarHBondContact O-N 3.46Å; F70-D72 VanDerWaalsContact C-N 3.35Å; F70-D72 PolarHBondContact O-N 3.03Å; D72-H75 PolarHBondContact O-N 3.38Å; D72-R76 WeakPolarHBondContact O-CG 3.22Å; D72-R76 PolarHBondContact O-N 3.41Å
73F95.7Very high96.8Very high39 Ų3966.3 Ų66.317%0.17131%0.309CS..Hα-helixtrans-61.9-46.9173.8167.3-93.5000111.5F40 M54 R69 F70 R71 H75 R76 F77F40-F73 AromaticContact CD1-CE1 3.74Å; F40-F73 HydrophobicContact CD1-CE1 3.74Å; F40-F73 HydrophobicContact CD1-CZ 4.26Å; F40-F73 AromaticContact CD2-CE1 3.65Å; F40-F73 HydrophobicContact CD2-CE1 3.65Å; F40-F73 HydrophobicContact CD2-CZ 4.48Å; F40-F73 AromaticContact CE1-CE1 3.59Å; F40-F73 HydrophobicContact CE1-CE1 3.59Å; F40-F73 AromaticContact CE1-CZ 3.66Å; F40-F73 HydrophobicContact CE1-CZ 3.66Å; F40-F73 AromaticContact CE2-CE1 3.51Å; F40-F73 HydrophobicContact CE2-CE1 3.51Å; F40-F73 AromaticContact CE2-CZ 3.93Å; F40-F73 HydrophobicContact CE2-CZ 3.93Å; F40-F73 AromaticContact CG-CE1 3.77Å; F40-F73 HydrophobicContact CG-CE1 3.77Å; F40-F73 AromaticContact CZ-CE1 3.49Å; F40-F73 HydrophobicContact CZ-CE1 3.49Å; F40-F73 VanDerWaalsContact CZ-CE1 3.49Å; F40-F73 AromaticContact CZ-CZ 3.49Å; F40-F73 HydrophobicContact CZ-CZ 3.49Å; F40-F73 VanDerWaalsContact CZ-CZ 3.49Å; M54-F73 HydrophobicContact CE-CD1 3.4Å; M54-F73 VanDerWaalsContact CE-CD1 3.4Å; M54-F73 HydrophobicContact CE-CD2 3.68Å; M54-F73 HydrophobicContact CE-CE1 3.3Å; M54-F73 HydrophobicContact CE-CE2 3.58Å; M54-F73 HydrophobicContact CE-CG 3.59Å; M54-F73 HydrophobicContact CE-CZ 3.38Å; M54-F73 HydrophobicContact SD-CE1 4.29Å; M54-F73 HydrophobicContact SD-CZ 4.09Å; R69-F73 WeakPolarHBondContact O-CB 3.33Å; R69-F73 PolarHBondContact O-N 3.26Å; F70-F73 WeakPolarHBondContact O-CB 3.24Å; F70-F73 PolarHBondContact O-N 2.65Å; R71-F73 VanDerWaalsContact C-N 3.3Å; R71-F73 PolarHBondContact O-N 3.26Å; F73-H75 VanDerWaalsContact C-N 3.32Å; F73-H75 PolarHBondContact O-N 3.47Å; F73-R76 PolarHBondContact O-N 2.89Å; F73-F77 WeakPolarHBondContact O-CB 3.48Å; F73-F77 PolarHBondContact O-N 3.31Å
74C97.9Very high96.9Very high0 Ų061.2 Ų61.20%028%0.281CS..Hα-helixtrans-62.9-37.7178.2-68.90000112.4A36 Q37 F70 R71 F77 A78A36-C74 HydrophobicContact CB-CB 3.81Å; A36-C74 WeakPolarHBondContact CB-O 3.38Å; Q37-C74 VanDerWaalsContact CA-SG 3.58Å; Q37-C74 HydrophobicContact CG-CB 3.68Å; F70-C74 PolarHBondContact O-N 3.3Å; F70-C74 PolarHBondContact O-SG 3.01Å; F70-C74 VanDerWaalsContact O-SG 3.37Å; R71-C74 PolarHBondContact O-N 2.91Å; R71-C74 VanDerWaalsContact O-N 3.16Å; C74-F77 PolarHBondContact O-N 3.1Å; C74-A78 WeakPolarHBondContact O-CB 3.4Å; C74-A78 PolarHBondContact O-N 2.9Å
75H98Very high97Very high75 Ų7561 Ų6135%0.34728%0.28SS..Hα-helixtrans-61.8-52.7172.9-74.986.2000111.1R71 D72 F73 F77 A78 E79R71-H75 PolarHBondContact O-N 3.43Å; R71-H75 PolarHBondContact O-ND1 2.83Å; D72-H75 PolarHBondContact O-N 3.38Å; F73-H75 VanDerWaalsContact C-N 3.32Å; F73-H75 PolarHBondContact O-N 3.47Å; H75-F77 PolarHBondContact O-N 2.99Å; H75-A78 WeakPolarHBondContact O-CB 3.29Å; H75-A78 PolarHBondContact O-N 2.89Å; H75-A78 VanDerWaalsContact O-N 3.08Å; H75-E79 WeakPolarHBondContact O-CG 3.33Å; H75-E79 PolarHBondContact O-N 3.45Å
76R97.4Very high97.1Very high143 Ų14359.9 Ų59.954%0.5428%0.28SS..Hα-helixtrans-58.4-36.6178.2-71.9-174.1-64.5-95.4-3.8112.7D72 F73 F80D72-R76 WeakPolarHBondContact O-CG 3.22Å; D72-R76 PolarHBondContact O-N 3.41Å; F73-R76 PolarHBondContact O-N 2.89Å; R76-F80 WeakPolarHBondContact O-CB 3.39Å; R76-F80 PolarHBondContact O-N 3.05Å
77F97.3Very high97.1Very high30 Ų3056 Ų5613%0.13226%0.259CS..Hα-helixtrans-65.8-45.7175.4-178.9-93.2000112W35 A36 L39 F40 F73 C74 H75 F80 W81 I131W35-F77 HydrophobicContact CH2-CD1 4.47Å; W35-F77 AromaticContact CH2-CE1 3.62Å; W35-F77 HydrophobicContact CH2-CE1 3.62Å; W35-F77 HydrophobicContact CH2-CZ 4.46Å; W35-F77 AromaticContact CZ3-CD1 3.99Å; W35-F77 HydrophobicContact CZ3-CD1 3.99Å; W35-F77 AromaticContact CZ3-CE1 3.58Å; W35-F77 HydrophobicContact CZ3-CE1 3.58Å; A36-F77 HydrophobicContact CB-CD1 3.91Å; L39-F77 HydrophobicContact CD2-CE1 3.97Å; L39-F77 HydrophobicContact CD2-CZ 4.22Å; F40-F77 HydrophobicContact CE2-CB 4.35Å; F40-F77 AromaticContact CE2-CD1 3.77Å; F40-F77 HydrophobicContact CE2-CD1 3.77Å; F40-F77 AromaticContact CE2-CD2 3.74Å; F40-F77 HydrophobicContact CE2-CD2 3.74Å; F40-F77 AromaticContact CE2-CE1 3.86Å; F40-F77 HydrophobicContact CE2-CE1 3.86Å; F40-F77 AromaticContact CE2-CE2 3.86Å; F40-F77 HydrophobicContact CE2-CE2 3.86Å; F40-F77 AromaticContact CE2-CG 3.68Å; F40-F77 HydrophobicContact CE2-CG 3.68Å; F40-F77 AromaticContact CE2-CZ 3.91Å; F40-F77 HydrophobicContact CE2-CZ 3.91Å; F40-F77 AromaticContact CZ-CD2 3.84Å; F40-F77 HydrophobicContact CZ-CD2 3.84Å; F40-F77 AromaticContact CZ-CE2 3.79Å; F40-F77 HydrophobicContact CZ-CE2 3.79Å; F40-F77 HydrophobicContact CZ-CG 4.26Å; F40-F77 HydrophobicContact CZ-CZ 4.16Å; F73-F77 WeakPolarHBondContact O-CB 3.48Å; F73-F77 PolarHBondContact O-N 3.31Å; C74-F77 PolarHBondContact O-N 3.1Å; H75-F77 PolarHBondContact O-N 2.99Å; F77-F80 PolarHBondContact O-N 3.48Å; F77-W81 AromaticContact CD1-CD1 3.95Å; F77-W81 AromaticContact CE1-CD1 3.55Å; F77-W81 AromaticContact CE1-NE1 3.66Å; F77-W81 AromaticContact CE2-NE1 3.57Å; F77-W81 AromaticContact CZ-CD1 3.6Å; F77-W81 AromaticContact CZ-NE1 3.2Å; F77-W81 PolarHBondContact O-N 3.44Å; F77-I131 HydrophobicContact CZ-CD1 4.1Å
78A98Very high97Very high6 Ų653.8 Ų53.85%0.0525%0.248CC..Hα-helixtrans-62.5-42.7175.900000112H32 C74 H75 W81 R82H32-A78 HydrophobicContact CB-CB 3.78Å; C74-A78 WeakPolarHBondContact O-CB 3.4Å; C74-A78 PolarHBondContact O-N 2.9Å; H75-A78 WeakPolarHBondContact O-CB 3.29Å; H75-A78 PolarHBondContact O-N 2.89Å; H75-A78 VanDerWaalsContact O-N 3.08Å; A78-W81 PolarHBondContact O-N 3.44Å; A78-R82 WeakPolarHBondContact O-CB 3.29Å; A78-R82 PolarHBondContact O-N 3.37Å
79E97.7Very high96.8Very high92 Ų9249.6 Ų49.643%0.4322%0.223SC..Hα-helixtrans-64.1-40.3177.2-70.5-169.2130.100112.6H75 W81 R82 N83H75-E79 WeakPolarHBondContact O-CG 3.33Å; H75-E79 PolarHBondContact O-N 3.45Å; E79-W81 VanDerWaalsContact C-N 3.34Å; E79-W81 PolarHBondContact O-N 3.4Å; E79-R82 PolarHBondContact O-N 3.16Å; E79-R82 IonicContact OE1-NH2 3.78Å; E79-R82 PolarHBondContact OE1-NH2 3.2Å; E79-N83 WeakPolarHBondContact O-CB 3.28Å; E79-N83 PolarHBondContact O-N 2.94Å; E79-N83 PolarHBondContact O-ND2 3.42Å; E79-N83 PolarHBondContact O-OD1 3.1Å
80F97.9Very high96.7Very high27 Ų2748 Ų4812%0.11823%0.225CC..Hα-helixtrans-55.9-49.9174.1168.5-98.6000111.1R76 F77 N83 L84 I104 L107 T157R76-F80 WeakPolarHBondContact O-CB 3.39Å; R76-F80 PolarHBondContact O-N 3.05Å; F77-F80 PolarHBondContact O-N 3.48Å; F80-N83 PolarHBondContact O-N 2.81Å; F80-L84 HydrophobicContact CE1-CD2 4.05Å; F80-L84 HydrophobicContact CZ-CD2 3.99Å; F80-L84 VanDerWaalsContact O-CB 3.29Å; F80-L84 WeakPolarHBondContact O-CB 3.45Å; F80-L84 PolarHBondContact O-N 3.48Å; F80-I104 HydrophobicContact CE2-CG1 4.45Å; F80-I104 HydrophobicContact CZ-CG1 4.03Å; F80-L107 HydrophobicContact CD1-CD2 4.24Å; F80-L107 HydrophobicContact CD2-CD2 4.03Å; F80-L107 HydrophobicContact CE1-CD2 3.99Å; F80-L107 HydrophobicContact CE2-CB 4.37Å; F80-L107 HydrophobicContact CE2-CD2 3.76Å; F80-L107 HydrophobicContact CG-CD2 4.25Å; F80-L107 HydrophobicContact CZ-CD2 3.73Å; F80-T157 HydrophobicContact CE1-CG2 4.48Å; F80-T157 HydrophobicContact CZ-CG2 4.38Å
81W97.9Very high96.4Very high8 Ų848.7 Ų48.73%0.0323%0.23CC..Hα-helixtrans-67.3-41.4179.3-81.1106.4000112.9W26 F77 A78 E79 N83 L84 I85 W150 L153 L154 T157W26-W81 HydrophobicContact CH2-CB 3.37Å; W26-W81 HydrophobicContact CH2-CG 4.21Å; W26-W81 HydrophobicContact CZ2-CB 3.7Å; W26-W81 HydrophobicContact CZ3-CB 3.97Å; W26-W81 HydrophobicContact CZ3-CG 4.48Å; F77-W81 AromaticContact CD1-CD1 3.95Å; F77-W81 AromaticContact CE1-CD1 3.55Å; F77-W81 AromaticContact CE1-NE1 3.66Å; F77-W81 AromaticContact CE2-NE1 3.57Å; F77-W81 AromaticContact CZ-CD1 3.6Å; F77-W81 AromaticContact CZ-NE1 3.2Å; F77-W81 PolarHBondContact O-N 3.44Å; A78-W81 PolarHBondContact O-N 3.44Å; E79-W81 VanDerWaalsContact C-N 3.34Å; E79-W81 PolarHBondContact O-N 3.4Å; W81-N83 VanDerWaalsContact C-N 3.32Å; W81-N83 PolarHBondContact O-N 2.78Å; W81-L84 HydrophobicContact CE3-CD2 4.03Å; W81-L84 HydrophobicContact CH2-CD2 4.33Å; W81-L84 HydrophobicContact CZ3-CD2 3.78Å; W81-L84 PolarHBondContact O-N 3.04Å; W81-I85 WeakPolarHBondContact O-CB 3.34Å; W81-I85 WeakPolarHBondContact O-CD1 3.47Å; W81-I85 VanDerWaalsContact O-CG1 3.22Å; W81-I85 WeakPolarHBondContact O-CG1 3.4Å; W81-I85 PolarHBondContact O-N 3.17Å; W81-W150 HydrophobicContact CE3-CZ3 4.16Å; W81-W150 HydrophobicContact CZ3-CZ3 4.11Å; W81-L153 HydrophobicContact CZ3-CD2 4.01Å; W81-L153 HydrophobicContact CZ3-CG 4.18Å; W81-L154 HydrophobicContact CH2-CD2 3.33Å; W81-L154 HydrophobicContact CH2-CG 4.14Å; W81-L154 HydrophobicContact CZ2-CD2 3.45Å; W81-L154 VanDerWaalsContact CZ2-CD2 3.45Å; W81-L154 HydrophobicContact CZ3-CD2 4.41Å; W81-T157 HydrophobicContact CH2-CG2 4.29Å
82R97.4Very high96Very high122 Ų12249 Ų4946%0.4624%0.24SC..Hα-helixtrans-55.4-49.3174.5-178.9-174.565.9-171.4-7.8111.1W26 A78 E79 I85 A86W26-R82 HydrophobicContact CZ2-CB 4.37Å; A78-R82 WeakPolarHBondContact O-CB 3.29Å; A78-R82 PolarHBondContact O-N 3.37Å; E79-R82 PolarHBondContact O-N 3.16Å; E79-R82 IonicContact OE1-NH2 3.78Å; E79-R82 PolarHBondContact OE1-NH2 3.2Å; R82-I85 PolarHBondContact O-N 3.01Å; R82-A86 WeakPolarHBondContact O-CB 3.48Å; R82-A86 PolarHBondContact O-N 3.32Å
83N97.4Very high95.7Very high77 Ų7752 Ų5241%0.41225%0.246SC..Hα-helixtrans-66.7-41.2-179.7-65.3-7000111E79 F80 W81 I85 A86 L87E79-N83 WeakPolarHBondContact O-CB 3.28Å; E79-N83 PolarHBondContact O-N 2.94Å; E79-N83 PolarHBondContact O-ND2 3.42Å; E79-N83 PolarHBondContact O-OD1 3.1Å; F80-N83 PolarHBondContact O-N 2.81Å; W81-N83 VanDerWaalsContact C-N 3.32Å; W81-N83 PolarHBondContact O-N 2.78Å; N83-I85 VanDerWaalsContact C-N 3.34Å; N83-I85 PolarHBondContact O-N 2.63Å; N83-A86 PolarHBondContact O-N 3.02Å; N83-L87 VanDerWaalsContact O-CG 3.24Å; N83-L87 WeakPolarHBondContact O-CG 3.28Å; N83-L87 PolarHBondContact O-N 3.14Å
84L96.9Very high95.4Very high1 Ų156.8 Ų56.81%0.00527%0.269CS..Hα-helixtrans-62.8-41.6179.1-172.761.9000112F80 W81 L87 L88 A100 I104 T157F80-L84 HydrophobicContact CE1-CD2 4.05Å; F80-L84 HydrophobicContact CZ-CD2 3.99Å; F80-L84 VanDerWaalsContact O-CB 3.29Å; F80-L84 WeakPolarHBondContact O-CB 3.45Å; F80-L84 PolarHBondContact O-N 3.48Å; W81-L84 HydrophobicContact CE3-CD2 4.03Å; W81-L84 HydrophobicContact CH2-CD2 4.33Å; W81-L84 HydrophobicContact CZ3-CD2 3.78Å; W81-L84 PolarHBondContact O-N 3.04Å; L84-L87 PolarHBondContact O-N 2.99Å; L84-L88 HydrophobicContact CD1-CD1 3.64Å; L84-L88 HydrophobicContact CD1-CG 4.19Å; L84-L88 HydrophobicContact CG-CD1 3.87Å; L84-L88 WeakPolarHBondContact O-CB 3.5Å; L84-L88 WeakPolarHBondContact O-CG 3.18Å; L84-L88 PolarHBondContact O-N 3.17Å; L84-A100 HydrophobicContact CD1-CB 3.66Å; L84-I104 HydrophobicContact CD1-CD1 3.83Å; L84-I104 HydrophobicContact CD1-CG1 3.94Å; L84-I104 HydrophobicContact CD2-CD1 4.23Å; L84-I104 HydrophobicContact CD2-CG1 4.2Å; L84-T157 HydrophobicContact CD2-CG2 4.46Å
85I97Very high95.1Very high3 Ų360.7 Ų60.72%0.01529%0.287CS..Hα-helixtrans-69.6-41.8178.2-68.3163.1000110.7I22 W26 W81 R82 N83 L87 L88 C89 D90 W150I22-I85 HydrophobicContact CG2-CG1 4.36Å; W26-I85 HydrophobicContact CB-CD1 3.79Å; W26-I85 HydrophobicContact CD2-CD1 3.26Å; W26-I85 HydrophobicContact CE3-CD1 3.72Å; W26-I85 HydrophobicContact CG-CD1 3.28Å; W26-I85 HydrophobicContact CZ2-CD1 4.39Å; W26-I85 HydrophobicContact CZ3-CD1 4.44Å; W81-I85 WeakPolarHBondContact O-CB 3.34Å; W81-I85 WeakPolarHBondContact O-CD1 3.47Å; W81-I85 VanDerWaalsContact O-CG1 3.22Å; W81-I85 WeakPolarHBondContact O-CG1 3.4Å; W81-I85 PolarHBondContact O-N 3.17Å; R82-I85 PolarHBondContact O-N 3.01Å; N83-I85 VanDerWaalsContact C-N 3.34Å; N83-I85 PolarHBondContact O-N 2.63Å; I85-L87 VanDerWaalsContact C-N 3.27Å; I85-L87 PolarHBondContact O-N 2.93Å; I85-L88 PolarHBondContact O-N 3.25Å; I85-C89 HydrophobicContact CG2-CB 4.02Å; I85-C89 WeakPolarHBondContact O-CA 3.41Å; I85-C89 VanDerWaalsContact O-CB 3.27Å; I85-C89 WeakPolarHBondContact O-CB 3.41Å; I85-C89 PolarHBondContact O-N 2.78Å; I85-D90 PolarHBondContact O-N 3.3Å; I85-W150 HydrophobicContact CD1-CH2 3.64Å; I85-W150 HydrophobicContact CD1-CZ3 4.36Å
86A96.5Very high94.9Very high43 Ų4358.1 Ų58.136%0.35528%0.276SS..Hα-helixtrans-57.9-42.5174.900000111.7R82 N83 D90 S91R82-A86 WeakPolarHBondContact O-CB 3.48Å; R82-A86 PolarHBondContact O-N 3.32Å; N83-A86 PolarHBondContact O-N 3.02Å; A86-D90 WeakPolarHBondContact O-CB 3.48Å; A86-D90 PolarHBondContact O-N 3.04Å; A86-S91 PolarHBondContact O-N 3.49Å
87L95.6Very high94.6Very high35 Ų3553.4 Ų53.418%0.18326%0.258CS..Hα-helixtrans-72.3-35.7179.6-67.6169.9000113.5N83 L84 I85 D96 K99 A100N83-L87 VanDerWaalsContact O-CG 3.24Å; N83-L87 WeakPolarHBondContact O-CG 3.28Å; N83-L87 PolarHBondContact O-N 3.14Å; L84-L87 PolarHBondContact O-N 2.99Å; I85-L87 VanDerWaalsContact C-N 3.27Å; I85-L87 PolarHBondContact O-N 2.93Å; L87-D96 HydrophobicContact CB-CB 4.44Å; L87-D96 HydrophobicContact CD2-CB 3.65Å; L87-K99 HydrophobicContact CD1-CB 4.18Å; L87-K99 HydrophobicContact CD2-CB 4.38Å; L87-A100 HydrophobicContact CB-CB 3.91Å; L87-A100 HydrophobicContact CD1-CB 4.11Å
88L93.8Very high94.3Very high1 Ų156.9 Ų56.91%0.00528%0.277CS..Hα-helixtrans-100.3-24.6-172.4-68179.1000115M1 L12 L84 I85 W97 A100 L153M1-L88 HydrophobicContact CE-CD2 4.38Å; L12-L88 HydrophobicContact CD2-CD1 4.1Å; L84-L88 HydrophobicContact CD1-CD1 3.64Å; L84-L88 HydrophobicContact CD1-CG 4.19Å; L84-L88 HydrophobicContact CG-CD1 3.87Å; L84-L88 WeakPolarHBondContact O-CB 3.5Å; L84-L88 WeakPolarHBondContact O-CG 3.18Å; L84-L88 PolarHBondContact O-N 3.17Å; I85-L88 PolarHBondContact O-N 3.25Å; L88-W97 HydrophobicContact CD2-CB 4.4Å; L88-W97 HydrophobicContact CD2-CG 4.49Å; L88-A100 HydrophobicContact CD1-CB 4.24Å; L88-A100 HydrophobicContact CD2-CB 3.58Å; L88-A100 HydrophobicContact CG-CB 3.7Å; L88-L153 HydrophobicContact CD1-CD1 3.55Å
89C93.4Very high94.1Very high7 Ų760.8 Ų60.85%0.04729%0.293CS..THydrogen-bonded Turntrans-114.2-32.2-173.1-57.40000112.2R19 I85R19-C89 HydrophobicContact CB-CB 4.29Å; R19-C89 VanDerWaalsContact CZ-O 3.3Å; R19-C89 PolarHBondContact NE-O 3.27Å; R19-C89 PolarHBondContact NH2-O 3.42Å; I85-C89 HydrophobicContact CG2-CB 4.02Å; I85-C89 WeakPolarHBondContact O-CA 3.41Å; I85-C89 VanDerWaalsContact O-CB 3.27Å; I85-C89 WeakPolarHBondContact O-CB 3.41Å; I85-C89 PolarHBondContact O-N 2.78Å
90D92.4Very high94Very high111 Ų11156.4 Ų56.459%0.59427%0.273SS*.SBendtrans-101.9-10.8-176.3-54.1-27.4000113.1I85 A86I85-D90 PolarHBondContact O-N 3.3Å; A86-D90 WeakPolarHBondContact O-CB 3.48Å; A86-D90 PolarHBondContact O-N 3.04Å
91S91.6Very high93.8Very high16 Ų1655.2 Ų55.211%0.11227%0.268CS..  trans-113.8137.4178.3-174.20000112.8A86 R93 D96 W97A86-S91 PolarHBondContact O-N 3.49Å; S91-R93 PolarHBondContact OG-N 3.25Å; S91-D96 WeakPolarHBondContact CB-OD2 3.32Å; S91-D96 PolarHBondContact OG-OD2 2.89Å; S91-W97 PolarHBondContact O-NE1 3.47Å
92D89.2Confident93.7Very high119 Ų11960.3 Ų60.364%0.63629%0.292SS*.  trans-97.23.7172.5-62.1-37.3000112.9R19R19-D92 IonicContact CZ-OD1 3.92Å; R19-D92 IonicContact NH1-OD1 2.98Å; R19-D92 PolarHBondContact NH1-OD1 3.34Å; R19-D92 IonicContact NH2-OD1 2.67Å; R19-D92 PolarHBondContact NH2-OD1 2.9Å
93R91.5Very high93.7Very high138 Ų13856.1 Ų56.152%0.52128%0.281SS..  trans-87.3124.9-176.5-58.1177.669.8-167.3-1110.6S91 E95 D96S91-R93 PolarHBondContact OG-N 3.25Å; R93-E95 HydrophobicContact CB-CG 3.97Å; R93-E95 IonicContact CZ-OE1 3.19Å; R93-E95 IonicContact CZ-OE2 3.41Å; R93-E95 IonicContact NE-OE1 2.94Å; R93-E95 IonicContact NH1-OE1 3.66Å; R93-E95 PolarHBondContact NH1-OE1 3.31Å; R93-E95 IonicContact NH2-OE1 3.97Å; R93-E95 PolarHBondContact NH2-OE1 3.17Å; R93-E95 IonicContact NH2-OE2 2.8Å; R93-E95 PolarHBondContact NH2-OE2 3.03Å; R93-E95 PolarHBondContact O-N 3.35Å; R93-D96 HydrophobicContact CB-CB 4.47Å; R93-D96 WeakPolarHBondContact O-CB 3.38Å; R93-D96 PolarHBondContact O-N 3.38Å
94E88.7Confident93.7Very high139 Ų13952.5 Ų52.565%0.6526%0.262SS*.Hα-helixtrans-56.6-36.8178.3-172.7179.3172.800113.1D96 W97 L98E94-D96 PolarHBondContact O-N 3.47Å; E94-W97 HydrophobicContact CB-CE3 4.32Å; E94-W97 HydrophobicContact CB-CZ3 4.45Å; E94-W97 HydrophobicContact CG-CE3 4.18Å; E94-W97 HydrophobicContact CG-CZ3 4.44Å; E94-W97 WeakPolarHBondContact O-CB 3.32Å; E94-W97 PolarHBondContact O-N 2.92Å; E94-W97 VanDerWaalsContact O-N 3.11Å; E94-L98 PolarHBondContact O-N 3.5Å
95E92Very high93.7Very high81 Ų8153.1 Ų53.138%0.37926%0.264SS..Hα-helixtrans-60.3-31.7176.458.7168.5-115.800113.4R93 W97 L98 K99R93-E95 HydrophobicContact CB-CG 3.97Å; R93-E95 IonicContact CZ-OE1 3.19Å; R93-E95 IonicContact CZ-OE2 3.41Å; R93-E95 IonicContact NE-OE1 2.94Å; R93-E95 IonicContact NH1-OE1 3.66Å; R93-E95 PolarHBondContact NH1-OE1 3.31Å; R93-E95 IonicContact NH2-OE1 3.97Å; R93-E95 PolarHBondContact NH2-OE1 3.17Å; R93-E95 IonicContact NH2-OE2 2.8Å; R93-E95 PolarHBondContact NH2-OE2 3.03Å; R93-E95 PolarHBondContact O-N 3.35Å; E95-W97 VanDerWaalsContact C-N 3.31Å; E95-L98 PolarHBondContact O-N 2.93Å; E95-K99 WeakPolarHBondContact O-CG 3.36Å; E95-K99 PolarHBondContact O-N 3.43Å; E95-K99 VanDerWaalsContact O-N 3.08Å; E95-K99 IonicContact OE1-NZ 3.5Å; E95-K99 PolarHBondContact OE1-NZ 3.41Å
96D93.9Very high93.6Very high22 Ų2256.7 Ų56.712%0.11828%0.283CS..Hα-helixtrans-73.8-30.4179.8-71.4-23000110.5L87 S91 R93 E94 K99 A100L87-D96 HydrophobicContact CB-CB 4.44Å; L87-D96 HydrophobicContact CD2-CB 3.65Å; S91-D96 WeakPolarHBondContact CB-OD2 3.32Å; S91-D96 PolarHBondContact OG-OD2 2.89Å; R93-D96 HydrophobicContact CB-CB 4.47Å; R93-D96 WeakPolarHBondContact O-CB 3.38Å; R93-D96 PolarHBondContact O-N 3.38Å; E94-D96 PolarHBondContact O-N 3.47Å; D96-K99 PolarHBondContact O-N 3.48Å; D96-K99 IonicContact OD1-NZ 3.31Å; D96-K99 PolarHBondContact OD1-NZ 3Å; D96-A100 WeakPolarHBondContact O-CB 3.5Å; D96-A100 PolarHBondContact O-N 3.35Å
97W90.4Very high93.6Very high44 Ų4456.1 Ų56.117%0.16727%0.274CS..Hα-helixtrans-68.7-39.4173.2-51.2-17.5000111.5M1 V3 L88 S91 E94 E95 A100 V101M1-W97 HydrophobicContact CB-CH2 4.45Å; M1-W97 HydrophobicContact CB-CZ2 4.35Å; M1-W97 HydrophobicContact CG-CD2 4.08Å; M1-W97 HydrophobicContact CG-CE3 4.17Å; M1-W97 HydrophobicContact CG-CH2 3.65Å; M1-W97 HydrophobicContact CG-CZ2 3.53Å; M1-W97 HydrophobicContact CG-CZ3 3.97Å; M1-W97 HydrophobicContact SD-CD2 3.81Å; M1-W97 HydrophobicContact SD-CE3 4.48Å; M1-W97 HydrophobicContact SD-CG 4.19Å; M1-W97 HydrophobicContact SD-CH2 4.35Å; M1-W97 HydrophobicContact SD-CZ2 3.65Å; M1-W97 PolarHBondContact SD-NE1 3.45Å; M1-W97 VanDerWaalsContact SD-NE1 3.41Å; V3-W97 HydrophobicContact CG1-CB 4.36Å; V3-W97 HydrophobicContact CG2-CB 3.85Å; V3-W97 HydrophobicContact CG2-CD2 3.88Å; V3-W97 HydrophobicContact CG2-CE3 3.8Å; V3-W97 HydrophobicContact CG2-CG 3.92Å; L88-W97 HydrophobicContact CD2-CB 4.4Å; L88-W97 HydrophobicContact CD2-CG 4.49Å; S91-W97 PolarHBondContact O-NE1 3.47Å; E94-W97 HydrophobicContact CB-CE3 4.32Å; E94-W97 HydrophobicContact CB-CZ3 4.45Å; E94-W97 HydrophobicContact CG-CE3 4.18Å; E94-W97 HydrophobicContact CG-CZ3 4.44Å; E94-W97 WeakPolarHBondContact O-CB 3.32Å; E94-W97 PolarHBondContact O-N 2.92Å; E94-W97 VanDerWaalsContact O-N 3.11Å; E95-W97 VanDerWaalsContact C-N 3.31Å; W97-A100 WeakPolarHBondContact O-CB 3.37Å; W97-A100 PolarHBondContact O-N 3.07Å; W97-V101 WeakPolarHBondContact O-CG2 3.49Å; W97-V101 PolarHBondContact O-N 2.88Å
98L91.6Very high93.6Very high103 Ų10354.4 Ų54.454%0.53927%0.265SS..Hα-helixtrans-61.8-44.3173-67.1176.1000111.1E94 E95 A100 V101 E102E94-L98 PolarHBondContact O-N 3.5Å; E95-L98 PolarHBondContact O-N 2.93Å; L98-A100 VanDerWaalsContact C-N 3.29Å; L98-A100 PolarHBondContact O-N 2.78Å; L98-V101 PolarHBondContact O-N 2.81Å; L98-E102 WeakPolarHBondContact O-CB 3.34Å; L98-E102 PolarHBondContact O-N 3.34Å
99K94.3Very high93.7Very high87 Ų8757.5 Ų57.538%0.37828%0.279SS..Hα-helixtrans-59.9-38.2173.7-67.4169.6-157.3157.60112L87 E95 D96 E102 S103L87-K99 HydrophobicContact CD1-CB 4.18Å; L87-K99 HydrophobicContact CD2-CB 4.38Å; E95-K99 WeakPolarHBondContact O-CG 3.36Å; E95-K99 PolarHBondContact O-N 3.43Å; E95-K99 VanDerWaalsContact O-N 3.08Å; E95-K99 IonicContact OE1-NZ 3.5Å; E95-K99 PolarHBondContact OE1-NZ 3.41Å; D96-K99 PolarHBondContact O-N 3.48Å; D96-K99 IonicContact OD1-NZ 3.31Å; D96-K99 PolarHBondContact OD1-NZ 3Å; K99-E102 PolarHBondContact O-N 2.95Å; K99-S103 WeakPolarHBondContact O-CB 3.27Å; K99-S103 PolarHBondContact O-N 3.18Å
100A95Very high93.7Very high0 Ų063.5 Ų63.50%030%0.301CS..Hα-helixtrans-62.4-48.2175.700000111.6L84 L87 L88 D96 W97 L98 S103 I104L84-A100 HydrophobicContact CD1-CB 3.66Å; L87-A100 HydrophobicContact CB-CB 3.91Å; L87-A100 HydrophobicContact CD1-CB 4.11Å; L88-A100 HydrophobicContact CD1-CB 4.24Å; L88-A100 HydrophobicContact CD2-CB 3.58Å; L88-A100 HydrophobicContact CG-CB 3.7Å; D96-A100 WeakPolarHBondContact O-CB 3.5Å; D96-A100 PolarHBondContact O-N 3.35Å; W97-A100 WeakPolarHBondContact O-CB 3.37Å; W97-A100 PolarHBondContact O-N 3.07Å; L98-A100 VanDerWaalsContact C-N 3.29Å; L98-A100 PolarHBondContact O-N 2.78Å; A100-S103 WeakPolarHBondContact O-CB 3.4Å; A100-S103 PolarHBondContact O-N 3.28Å; A100-I104 VanDerWaalsContact O-CG1 3.31Å; A100-I104 WeakPolarHBondContact O-CG1 3.38Å; A100-I104 PolarHBondContact O-N 3.42Å; A100-I104 VanDerWaalsContact O-N 3.08Å
101V94.5Very high93.7Very high2 Ų260.8 Ų60.81%0.01229%0.285CS..Hα-helixtrans-62.8-44.3177-179.70000111V3 W7 W97 L98 S103 I104 R105 F156 E160V3-V101 HydrophobicContact CG1-CG2 3.96Å; W7-V101 HydrophobicContact CE3-CG1 3.77Å; W7-V101 HydrophobicContact CH2-CG1 4.31Å; W7-V101 HydrophobicContact CZ3-CB 4.32Å; W7-V101 HydrophobicContact CZ3-CG1 3.37Å; W97-V101 WeakPolarHBondContact O-CG2 3.49Å; W97-V101 PolarHBondContact O-N 2.88Å; L98-V101 PolarHBondContact O-N 2.81Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 2.9Å; V101-I104 PolarHBondContact O-N 3.33Å; V101-R105 HydrophobicContact CG1-CG 4.31Å; V101-R105 WeakPolarHBondContact O-CG 3.31Å; V101-R105 PolarHBondContact O-N 2.99Å; V101-F156 HydrophobicContact CG2-CE1 4.01Å; V101-F156 HydrophobicContact CG2-CZ 3.91Å; V101-E160 HydrophobicContact CG1-CG 4.27Å
102E94.8Very high93.8Very high115 Ų11560.3 Ų60.354%0.53728%0.281SS..Hα-helixtrans-58-45.4176-175.6177.2-160.100111.9L98 K99 I104 R105 L106L98-E102 WeakPolarHBondContact O-CB 3.34Å; L98-E102 PolarHBondContact O-N 3.34Å; K99-E102 PolarHBondContact O-N 2.95Å; E102-I104 PolarHBondContact O-N 2.6Å; E102-R105 PolarHBondContact O-N 3.44Å; E102-L106 WeakPolarHBondContact O-CB 3.48Å; E102-L106 PolarHBondContact O-N 3.39Å
103S96.5Very high93.9Very high35 Ų3561.3 Ų61.325%0.24528%0.282CS..Hα-helixtrans-58.2-44.6176.2-177.40000112.2K99 A100 V101 L107K99-S103 WeakPolarHBondContact O-CB 3.27Å; K99-S103 PolarHBondContact O-N 3.18Å; A100-S103 WeakPolarHBondContact O-CB 3.4Å; A100-S103 PolarHBondContact O-N 3.28Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 2.9Å; S103-L107 PolarHBondContact O-N 2.95Å; S103-L107 VanDerWaalsContact O-N 3.08Å
104I97.3Very high93.7Very high0 Ų057.8 Ų57.80%027%0.273CS..Hα-helixtrans-62.6-44.8176.2-62.7161.8000110.9F80 L84 A100 V101 E102 L107 G108 F156 T157 E160 M161F80-I104 HydrophobicContact CE2-CG1 4.45Å; F80-I104 HydrophobicContact CZ-CG1 4.03Å; L84-I104 HydrophobicContact CD1-CD1 3.83Å; L84-I104 HydrophobicContact CD1-CG1 3.94Å; L84-I104 HydrophobicContact CD2-CD1 4.23Å; L84-I104 HydrophobicContact CD2-CG1 4.2Å; A100-I104 VanDerWaalsContact O-CG1 3.31Å; A100-I104 WeakPolarHBondContact O-CG1 3.38Å; A100-I104 PolarHBondContact O-N 3.42Å; A100-I104 VanDerWaalsContact O-N 3.08Å; V101-I104 PolarHBondContact O-N 3.33Å; E102-I104 PolarHBondContact O-N 2.6Å; I104-L107 WeakPolarHBondContact O-CB 3.25Å; I104-L107 PolarHBondContact O-N 2.85Å; I104-G108 PolarHBondContact O-N 3.47Å; I104-G108 VanDerWaalsContact O-N 3.08Å; I104-F156 HydrophobicContact CD1-CD1 4.38Å; I104-F156 HydrophobicContact CD1-CE1 4.25Å; I104-T157 HydrophobicContact CD1-CG2 4.34Å; I104-T157 HydrophobicContact CG1-CG2 4.16Å; I104-T157 HydrophobicContact CG2-CG2 3.99Å; I104-T157 WeakPolarHBondContact CG2-O 3.43Å; I104-E160 HydrophobicContact CB-CB 4.29Å; I104-E160 HydrophobicContact CG2-CB 3.52Å; I104-M161 HydrophobicContact CG2-CB 3.94Å
105R96.9Very high93.7Very high14 Ų1456 Ų565%0.05328%0.276CS..Hα-helixtrans-66.1-42.6-179-70.6-176.760.673.92.5111.9W7 V101 E102 L107 G108 Q109 E160 H163 A164 E167W7-R105 VanDerWaalsContact CD2-CD 3.45Å; V101-R105 HydrophobicContact CG1-CG 4.31Å; V101-R105 WeakPolarHBondContact O-CG 3.31Å; V101-R105 PolarHBondContact O-N 2.99Å; E102-R105 PolarHBondContact O-N 3.44Å; R105-L107 VanDerWaalsContact C-N 3.26Å; R105-L107 PolarHBondContact O-N 2.92Å; R105-G108 WeakPolarHBondContact O-CA 3.28Å; R105-G108 PolarHBondContact O-N 2.77Å; R105-G108 VanDerWaalsContact O-N 3.08Å; R105-Q109 WeakPolarHBondContact O-CG 3.5Å; R105-Q109 PolarHBondContact O-N 3.3Å; R105-E160 IonicContact NH1-OE2 3.09Å; R105-H163 PolarHBondContact NH1-ND1 3.34Å; R105-A164 HydrophobicContact CB-CB 3.99Å; R105-A164 HydrophobicContact CG-CB 4.25Å; R105-A164 VanDerWaalsContact O-CB 3.28Å; R105-A164 WeakPolarHBondContact O-CB 3.45Å; R105-E167 IonicContact NH2-OE2 2.78Å; R105-E167 PolarHBondContact NH2-OE2 3.41Å
106L96.1Very high93.5Very high79 Ų7958 Ų5841%0.41428%0.284SS..Hα-helixtrans-60.9-37.3175.7-17763.2000111.3E102 Q109 R110E102-L106 WeakPolarHBondContact O-CB 3.48Å; E102-L106 PolarHBondContact O-N 3.39Å; L106-Q109 PolarHBondContact O-N 2.85Å; L106-R110 VanDerWaalsContact CD2-NH2 3.26Å; L106-R110 WeakPolarHBondContact O-CB 3.43Å; L106-R110 PolarHBondContact O-N 3.39Å
107L95.8Very high93.2Very high30 Ų3058.1 Ų58.116%0.15729%0.285CS..Hα-helixtrans-62.2-44.3173-170.465000111.5F80 S103 I104 R105 R110 H111 M161F80-L107 HydrophobicContact CD1-CD2 4.24Å; F80-L107 HydrophobicContact CD2-CD2 4.03Å; F80-L107 HydrophobicContact CE1-CD2 3.99Å; F80-L107 HydrophobicContact CE2-CB 4.37Å; F80-L107 HydrophobicContact CE2-CD2 3.76Å; F80-L107 HydrophobicContact CG-CD2 4.25Å; F80-L107 HydrophobicContact CZ-CD2 3.73Å; S103-L107 PolarHBondContact O-N 2.95Å; S103-L107 VanDerWaalsContact O-N 3.08Å; I104-L107 WeakPolarHBondContact O-CB 3.25Å; I104-L107 PolarHBondContact O-N 2.85Å; R105-L107 VanDerWaalsContact C-N 3.26Å; R105-L107 PolarHBondContact O-N 2.92Å; L107-R110 PolarHBondContact O-N 3.43Å; L107-H111 VanDerWaalsContact CD1-CE1 3.47Å; L107-H111 WeakPolarHBondContact CD1-CE1 3.39Å; L107-H111 PolarHBondContact O-N 3.29Å; L107-H111 PolarHBondContact O-ND1 3.08Å; L107-M161 HydrophobicContact CD2-SD 3.82Å; L107-M161 HydrophobicContact CG-SD 4.05Å
108G96.3Very high93.1Very high0 Ų059.1 Ų59.10%030%0.296CS..Hα-helixtrans-61.6-44.4175.900000112.7I104 R105 H111 S112 M161 F165I104-G108 PolarHBondContact O-N 3.47Å; I104-G108 VanDerWaalsContact O-N 3.08Å; R105-G108 WeakPolarHBondContact O-CA 3.28Å; R105-G108 PolarHBondContact O-N 2.77Å; R105-G108 VanDerWaalsContact O-N 3.08Å; G108-H111 PolarHBondContact O-N 3.08Å; G108-S112 PolarHBondContact O-N 2.9Å; G108-M161 VanDerWaalsContact CA-CG 3.46Å; G108-M161 WeakPolarHBondContact CA-O 3.31Å; G108-F165 WeakPolarHBondContact O-CA 3.2Å
109Q95.3Very high92.9Very high66 Ų6655.3 Ų55.331%0.30828%0.276SS..Hα-helixtrans-62.1-44.6175.5-70.5173.2-1.700112.1R105 L106 H111 S112 Q113 A164R105-Q109 WeakPolarHBondContact O-CG 3.5Å; R105-Q109 PolarHBondContact O-N 3.3Å; L106-Q109 PolarHBondContact O-N 2.85Å; Q109-H111 PolarHBondContact O-N 2.84Å; Q109-S112 VanDerWaalsContact O-CB 3.28Å; Q109-S112 WeakPolarHBondContact O-CB 3.28Å; Q109-S112 PolarHBondContact O-N 3.19Å; Q109-S112 VanDerWaalsContact O-N 3.12Å; Q109-S112 PolarHBondContact O-OG 2.94Å; Q109-Q113 PolarHBondContact O-N 3.08Å; Q109-A164 HydrophobicContact CG-CB 4.23Å
110R93.4Very high92.7Very high132 Ų13255.8 Ų55.850%0.49828%0.279SS..Hα-helixtrans-59.6-46.8175.5-99.8-177.6-89.8143.9-9.6112L106 L107 S112 Q113L106-R110 VanDerWaalsContact CD2-NH2 3.26Å; L106-R110 WeakPolarHBondContact O-CB 3.43Å; L106-R110 PolarHBondContact O-N 3.39Å; L107-R110 PolarHBondContact O-N 3.43Å; R110-S112 PolarHBondContact O-N 3.37Å; R110-Q113 WeakPolarHBondContact O-CB 3.22Å; R110-Q113 PolarHBondContact O-N 3.42Å
111H92.8Very high92.5Very high55 Ų5559.1 Ų59.126%0.25531%0.306SS..Hα-helixtrans-63.5-31.8176.7-76.387.8000112.1L107 G108 Q109 Q113 N114 V117 F165L107-H111 VanDerWaalsContact CD1-CE1 3.47Å; L107-H111 WeakPolarHBondContact CD1-CE1 3.39Å; L107-H111 PolarHBondContact O-N 3.29Å; L107-H111 PolarHBondContact O-ND1 3.08Å; G108-H111 PolarHBondContact O-N 3.08Å; Q109-H111 PolarHBondContact O-N 2.84Å; H111-Q113 PolarHBondContact O-N 3.08Å; H111-N114 PolarHBondContact O-N 3.38Å; H111-N114 VanDerWaalsContact O-N 3.16Å; H111-V117 HydrophobicContact CB-CG1 4.27Å; H111-F165 HydrophobicContact CB-CD2 3.98Å; H111-F165 HydrophobicContact CB-CE2 4.32Å; H111-F165 WeakPolarHBondContact O-CE2 3.46Å
112S93.4Very high92.3Very high5 Ų563.7 Ų63.74%0.03534%0.336CS..Hα-helixtrans-59.7-27.6174.887.20000112.1G108 Q109 R110 N114 F165 G168 R172G108-S112 PolarHBondContact O-N 2.9Å; Q109-S112 VanDerWaalsContact O-CB 3.28Å; Q109-S112 WeakPolarHBondContact O-CB 3.28Å; Q109-S112 PolarHBondContact O-N 3.19Å; Q109-S112 VanDerWaalsContact O-N 3.12Å; Q109-S112 PolarHBondContact O-OG 2.94Å; R110-S112 PolarHBondContact O-N 3.37Å; S112-N114 VanDerWaalsContact C-N 3.29Å; S112-N114 PolarHBondContact O-N 3.11Å; S112-F165 VanDerWaalsContact CA-CD2 3.5Å; S112-F165 VanDerWaalsContact CB-O 3.31Å; S112-F165 WeakPolarHBondContact CB-O 3.31Å; S112-G168 WeakPolarHBondContact OG-CA 3.41Å; S112-R172 PolarHBondContact O-NE 2.98Å; S112-R172 VanDerWaalsContact O-NE 3.16Å; S112-R172 PolarHBondContact O-NH1 3.36Å; S112-R172 PolarHBondContact O-NH2 3.22Å
113Q91.4Very high92Very high141 Ų14159 Ų5966%0.65932%0.315SS*.Hα-helixtrans-73-20.4-178.9-63.4170.2-12.300113Q109 R110 H111 R172Q109-Q113 PolarHBondContact O-N 3.08Å; R110-Q113 WeakPolarHBondContact O-CB 3.22Å; R110-Q113 PolarHBondContact O-N 3.42Å; H111-Q113 PolarHBondContact O-N 3.08Å; Q113-R172 PolarHBondContact O-NH1 3.22Å
114N87.9Confident91.8Very high63 Ų6358.7 Ų58.734%0.33731%0.309SS..  trans-89.9109.6178-174.8-11.4000110.6H111 S112 K116 V117H111-N114 PolarHBondContact O-N 3.38Å; H111-N114 VanDerWaalsContact O-N 3.16Å; S112-N114 VanDerWaalsContact C-N 3.29Å; S112-N114 PolarHBondContact O-N 3.11Å; N114-K116 PolarHBondContact O-N 3.38Å; N114-K116 VanDerWaalsContact O-N 3.14Å; N114-K116 WeakPolarHBondContact OD1-CB 3.49Å; N114-K116 PolarHBondContact OD1-N 3Å; N114-V117 HydrophobicContact CB-CB 4.37Å; N114-V117 HydrophobicContact CB-CG2 3.89Å; N114-V117 PolarHBondContact O-N 3.49Å; N114-V117 VanDerWaalsContact O-N 3.1Å
115S88Confident91.5Very high102 Ų10263.2 Ų63.271%0.71333%0.332SS*.THydrogen-bonded Turntrans-62.4-17.9179.556.20000114.4
116K87.8Confident91.3Very high123 Ų12367.9 Ų67.954%0.53535%0.35SS..THydrogen-bonded Turntrans-83.4-15.3177.2-57.5-178.7-179.5178.80113.3A53 N114A53-K116 VanDerWaalsContact CB-O 3.29Å; A53-K116 WeakPolarHBondContact CB-O 3.5Å; N114-K116 PolarHBondContact O-N 3.38Å; N114-K116 VanDerWaalsContact O-N 3.14Å; N114-K116 WeakPolarHBondContact OD1-CB 3.49Å; N114-K116 PolarHBondContact OD1-N 3Å
117V87.7Confident91.2Very high25 Ų2564.9 Ų64.915%0.15233%0.334CS..  trans-88.2129179.8175.20000109H111 N114 F165H111-V117 HydrophobicContact CB-CG1 4.27Å; N114-V117 HydrophobicContact CB-CB 4.37Å; N114-V117 HydrophobicContact CB-CG2 3.89Å; N114-V117 PolarHBondContact O-N 3.49Å; N114-V117 VanDerWaalsContact O-N 3.1Å; V117-F165 HydrophobicContact CB-CE2 4.44Å; V117-F165 HydrophobicContact CG1-CE2 3.97Å; V117-F165 WeakPolarHBondContact O-CZ 3.31Å
118T88Confident91.1Very high65 Ų6564 Ų6440%0.39933%0.329SS..  trans-117.6153173.7650000110.5E120 W124T118-E120 VanDerWaalsContact C-N 3.3Å; T118-E120 WeakPolarHBondContact CB-OE1 3.34Å; T118-E120 PolarHBondContact O-N 3.42Å; T118-E120 VanDerWaalsContact OG1-CD 3.25Å; T118-E120 WeakPolarHBondContact OG1-CG 3.42Å; T118-E120 PolarHBondContact OG1-OE1 3.36Å; T118-W124 PolarHBondContact O-NE1 2.9Å
119F88Confident91Very high23 Ų2366.8 Ų66.810%0.10134%0.344CS..  trans-97.147.1174.6-136.1-67.4000112.3A121 W124 I158 M161 K162 F165F119-A121 PolarHBondContact O-N 3Å; F119-W124 AromaticContact CD1-CD1 3.28Å; F119-W124 HydrophobicContact CD1-CD2 4.14Å; F119-W124 AromaticContact CD1-CE2 3.88Å; F119-W124 AromaticContact CD1-CG 3.77Å; F119-W124 HydrophobicContact CD1-CG 3.77Å; F119-W124 AromaticContact CD1-NE1 3.39Å; F119-W124 AromaticContact CD2-CE2 3.86Å; F119-W124 AromaticContact CD2-CZ2 3.95Å; F119-W124 HydrophobicContact CD2-CZ2 3.95Å; F119-W124 AromaticContact CD2-NE1 3.79Å; F119-W124 HydrophobicContact CE1-CB 4.13Å; F119-W124 AromaticContact CE1-CD1 3.44Å; F119-W124 VanDerWaalsContact CE1-CD1 3.44Å; F119-W124 AromaticContact CE1-CD2 3.56Å; F119-W124 HydrophobicContact CE1-CD2 3.56Å; F119-W124 AromaticContact CE1-CE2 3.64Å; F119-W124 HydrophobicContact CE1-CE3 4.35Å; F119-W124 AromaticContact CE1-CG 3.42Å; F119-W124 HydrophobicContact CE1-CG 3.42Å; F119-W124 VanDerWaalsContact CE1-CG 3.42Å; F119-W124 HydrophobicContact CE1-CZ2 4.42Å; F119-W124 AromaticContact CE1-NE1 3.61Å; F119-W124 HydrophobicContact CE2-CD2 4.21Å; F119-W124 AromaticContact CE2-CE2 3.63Å; F119-W124 HydrophobicContact CE2-CH2 4.2Å; F119-W124 AromaticContact CE2-CZ2 3.6Å; F119-W124 HydrophobicContact CE2-CZ2 3.6Å; F119-W124 AromaticContact CG-CD1 3.87Å; F119-W124 AromaticContact CG-CE2 3.99Å; F119-W124 AromaticContact CG-NE1 3.49Å; F119-W124 AromaticContact CZ-CD2 3.61Å; F119-W124 HydrophobicContact CZ-CD2 3.61Å; F119-W124 AromaticContact CZ-CE2 3.53Å; F119-W124 HydrophobicContact CZ-CE3 4.07Å; F119-W124 HydrophobicContact CZ-CG 4.01Å; F119-W124 HydrophobicContact CZ-CH2 4.3Å; F119-W124 AromaticContact CZ-CZ2 3.87Å; F119-W124 HydrophobicContact CZ-CZ2 3.87Å; F119-W124 HydrophobicContact CZ-CZ3 4.42Å; F119-W124 AromaticContact CZ-NE1 3.93Å; F119-I158 HydrophobicContact CE1-CG2 3.87Å; F119-I158 HydrophobicContact CZ-CG2 4.18Å; F119-M161 HydrophobicContact CE2-CB 4.35Å; F119-M161 HydrophobicContact CE2-CE 3.9Å; F119-M161 HydrophobicContact CE2-CG 4.03Å; F119-M161 HydrophobicContact CZ-CB 4.45Å; F119-M161 HydrophobicContact CZ-CE 3.73Å; F119-K162 HydrophobicContact CB-CG 4.41Å; F119-K162 HydrophobicContact CD1-CB 3.82Å; F119-K162 HydrophobicContact CD1-CD 3.79Å; F119-K162 HydrophobicContact CD1-CG 3.66Å; F119-K162 HydrophobicContact CD2-CB 4.15Å; F119-K162 HydrophobicContact CD2-CG 4.31Å; F119-K162 HydrophobicContact CE1-CB 3.6Å; F119-K162 HydrophobicContact CE1-CD 4.11Å; F119-K162 HydrophobicContact CE1-CG 3.97Å; F119-K162 HydrophobicContact CE2-CB 3.93Å; F119-K162 HydrophobicContact CG-CB 4.09Å; F119-K162 HydrophobicContact CG-CD 4.4Å; F119-K162 HydrophobicContact CG-CG 3.84Å; F119-K162 HydrophobicContact CZ-CB 3.64Å; F119-K162 HydrophobicContact CZ-CG 4.4Å; F119-F165 HydrophobicContact CB-CD1 3.97Å; F119-F165 HydrophobicContact CB-CE1 4.06Å; F119-F165 HydrophobicContact CD2-CB 3.98Å; F119-F165 HydrophobicContact CD2-CD1 4.11Å; F119-F165 HydrophobicContact CD2-CD2 4.34Å; F119-F165 AromaticContact CD2-CG 3.89Å; F119-F165 HydrophobicContact CD2-CG 3.89Å; F119-F165 HydrophobicContact CE2-CB 4.46Å; F119-F165 HydrophobicContact CG-CD1 4.49Å
120E89.7Confident90.9Very high97 Ų9764.3 Ų64.345%0.45333%0.332SS..  trans-70.2124.2-177.7-78.4170.5-13900111.8T118 P122 V123 W124T118-E120 VanDerWaalsContact C-N 3.3Å; T118-E120 WeakPolarHBondContact CB-OE1 3.34Å; T118-E120 PolarHBondContact O-N 3.42Å; T118-E120 VanDerWaalsContact OG1-CD 3.25Å; T118-E120 WeakPolarHBondContact OG1-CG 3.42Å; T118-E120 PolarHBondContact OG1-OE1 3.36Å; E120-P122 VanDerWaalsContact C-CD 3.44Å; E120-P122 VanDerWaalsContact C-N 3.33Å; E120-V123 HydrophobicContact CB-CG2 4.09Å; E120-V123 PolarHBondContact O-N 3.23Å; E120-W124 VanDerWaalsContact O-CD1 3.29Å; E120-W124 PolarHBondContact O-N 3.41Å
121A90.1Very high91.1Very high69 Ų6958.2 Ų58.257%0.5731%0.31SS*.Hα-helixtrans-52.9-41.6-175.700000113.9F119 V123 W124 L125F119-A121 PolarHBondContact O-N 3Å; A121-V123 PolarHBondContact O-N 3.12Å; A121-W124 PolarHBondContact O-N 2.95Å; A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 PolarHBondContact O-N 2.82Å
122P90.4Very high91.2Very high98 Ų9855.6 Ų55.664%0.63630%0.297SS*.Hα-helixtrans-61.1-39.1177.7-25.335.9000114E120 R126E120-P122 VanDerWaalsContact C-CD 3.44Å; E120-P122 VanDerWaalsContact C-N 3.33Å; P122-R126 VanDerWaalsContact O-CB 3.32Å; P122-R126 WeakPolarHBondContact O-CB 3.2Å; P122-R126 PolarHBondContact O-N 2.59Å
123V90.3Very high91.2Very high16 Ų1658 Ų5810%0.09731%0.309CS..Hα-helixtrans-66.7-49.5-179.2178.30000110.3L50 E120 A121 R126 M127L50-V123 HydrophobicContact CB-CG1 4.39Å; L50-V123 HydrophobicContact CD1-CG1 4.44Å; E120-V123 HydrophobicContact CB-CG2 4.09Å; E120-V123 PolarHBondContact O-N 3.23Å; A121-V123 PolarHBondContact O-N 3.12Å; V123-R126 PolarHBondContact O-N 2.92Å; V123-M127 WeakPolarHBondContact O-CB 3.32Å; V123-M127 PolarHBondContact O-N 3.47Å
124W91.3Very high91.3Very high30 Ų3053.6 Ų53.611%0.11429%0.294CS..Hα-helixtrans-71.1-34.6-178.3-70.496.8000112.8T118 F119 E120 A121 M127 K128 M161T118-W124 PolarHBondContact O-NE1 2.9Å; F119-W124 AromaticContact CD1-CD1 3.28Å; F119-W124 HydrophobicContact CD1-CD2 4.14Å; F119-W124 AromaticContact CD1-CE2 3.88Å; F119-W124 AromaticContact CD1-CG 3.77Å; F119-W124 HydrophobicContact CD1-CG 3.77Å; F119-W124 AromaticContact CD1-NE1 3.39Å; F119-W124 AromaticContact CD2-CE2 3.86Å; F119-W124 AromaticContact CD2-CZ2 3.95Å; F119-W124 HydrophobicContact CD2-CZ2 3.95Å; F119-W124 AromaticContact CD2-NE1 3.79Å; F119-W124 HydrophobicContact CE1-CB 4.13Å; F119-W124 AromaticContact CE1-CD1 3.44Å; F119-W124 VanDerWaalsContact CE1-CD1 3.44Å; F119-W124 AromaticContact CE1-CD2 3.56Å; F119-W124 HydrophobicContact CE1-CD2 3.56Å; F119-W124 AromaticContact CE1-CE2 3.64Å; F119-W124 HydrophobicContact CE1-CE3 4.35Å; F119-W124 AromaticContact CE1-CG 3.42Å; F119-W124 HydrophobicContact CE1-CG 3.42Å; F119-W124 VanDerWaalsContact CE1-CG 3.42Å; F119-W124 HydrophobicContact CE1-CZ2 4.42Å; F119-W124 AromaticContact CE1-NE1 3.61Å; F119-W124 HydrophobicContact CE2-CD2 4.21Å; F119-W124 AromaticContact CE2-CE2 3.63Å; F119-W124 HydrophobicContact CE2-CH2 4.2Å; F119-W124 AromaticContact CE2-CZ2 3.6Å; F119-W124 HydrophobicContact CE2-CZ2 3.6Å; F119-W124 AromaticContact CG-CD1 3.87Å; F119-W124 AromaticContact CG-CE2 3.99Å; F119-W124 AromaticContact CG-NE1 3.49Å; F119-W124 AromaticContact CZ-CD2 3.61Å; F119-W124 HydrophobicContact CZ-CD2 3.61Å; F119-W124 AromaticContact CZ-CE2 3.53Å; F119-W124 HydrophobicContact CZ-CE3 4.07Å; F119-W124 HydrophobicContact CZ-CG 4.01Å; F119-W124 HydrophobicContact CZ-CH2 4.3Å; F119-W124 AromaticContact CZ-CZ2 3.87Å; F119-W124 HydrophobicContact CZ-CZ2 3.87Å; F119-W124 HydrophobicContact CZ-CZ3 4.42Å; F119-W124 AromaticContact CZ-NE1 3.93Å; E120-W124 VanDerWaalsContact O-CD1 3.29Å; E120-W124 PolarHBondContact O-N 3.41Å; A121-W124 PolarHBondContact O-N 2.95Å; W124-M127 HydrophobicContact CE3-SD 3.94Å; W124-M127 HydrophobicContact CZ3-SD 3.66Å; W124-M127 PolarHBondContact O-N 2.93Å; W124-K128 WeakPolarHBondContact O-CB 3.36Å; W124-K128 PolarHBondContact O-N 3.41Å; W124-M161 HydrophobicContact CE3-CE 3.81Å; W124-M161 HydrophobicContact CH2-CE 3.21Å; W124-M161 HydrophobicContact CH2-SD 4.02Å; W124-M161 HydrophobicContact CZ2-CE 4.06Å; W124-M161 HydrophobicContact CZ3-CE 3.1Å; W124-M161 HydrophobicContact CZ3-SD 4.37Å
125L92Very high91.6Very high94 Ų9451.5 Ų51.549%0.49228%0.283SS..Hα-helixtrans-64.6-43172.8-178.959.4000111.3A121 K128 N129A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 PolarHBondContact O-N 2.82Å; L125-K128 PolarHBondContact O-N 3.17Å; L125-N129 PolarHBondContact O-N 3.41Å; L125-N129 PolarHBondContact O-ND2 3.47Å; L125-N129 PolarHBondContact O-OD1 2.87Å
126R92.5Very high91.8Very high113 Ų11347.7 Ų47.743%0.42626%0.255SS..Hα-helixtrans-60.8-51173.8176.563.771.6159.35110.8L43 P122 V123 K128 N129 E130L43-R126 HydrophobicContact CD2-CG 3.92Å; P122-R126 VanDerWaalsContact O-CB 3.32Å; P122-R126 WeakPolarHBondContact O-CB 3.2Å; P122-R126 PolarHBondContact O-N 2.59Å; V123-R126 PolarHBondContact O-N 2.92Å; R126-K128 VanDerWaalsContact C-N 3.32Å; R126-K128 PolarHBondContact O-N 3.28Å; R126-N129 PolarHBondContact O-N 2.64Å; R126-N129 VanDerWaalsContact O-N 3.17Å; R126-E130 HydrophobicContact CG-CG 4.35Å; R126-E130 IonicContact NH1-OE1 3.95Å; R126-E130 PolarHBondContact NH1-OE1 2.84Å; R126-E130 WeakPolarHBondContact O-CG 3.32Å; R126-E130 PolarHBondContact O-N 2.79Å
127M93.6Very high91.9Very high15 Ų1544.6 Ų44.67%0.07426%0.259CS..Hα-helixtrans-55.5-47.3178.2-177.5177.3-75.700111.6F40 L43 L50 V123 W124 N129 E130 I131F40-M127 HydrophobicContact CE1-CE 3.68Å; F40-M127 HydrophobicContact CZ-CE 4.04Å; L43-M127 HydrophobicContact CD1-CB 4.46Å; L43-M127 HydrophobicContact CD1-CE 4.28Å; L43-M127 HydrophobicContact CD1-CG 4.09Å; L50-M127 HydrophobicContact CD1-CE 4.26Å; L50-M127 HydrophobicContact CD2-CE 3.75Å; V123-M127 WeakPolarHBondContact O-CB 3.32Å; V123-M127 PolarHBondContact O-N 3.47Å; W124-M127 HydrophobicContact CE3-SD 3.94Å; W124-M127 HydrophobicContact CZ3-SD 3.66Å; W124-M127 PolarHBondContact O-N 2.93Å; M127-N129 PolarHBondContact O-N 2.91Å; M127-E130 PolarHBondContact O-N 2.84Å; M127-I131 HydrophobicContact CG-CD1 3.9Å; M127-I131 VanDerWaalsContact O-CG1 3.28Å; M127-I131 WeakPolarHBondContact O-CG1 3.46Å; M127-I131 PolarHBondContact O-N 3.23Å
128K93.7Very high91.7Very high11 Ų1148.5 Ų48.55%0.04827%0.274CS..Hα-helixtrans-55.1-50.7175.6-176.2-176.370.6680111.9W124 L125 R126 E130 I131 V132 N151 L154 M155 I158W124-K128 WeakPolarHBondContact O-CB 3.36Å; W124-K128 PolarHBondContact O-N 3.41Å; L125-K128 PolarHBondContact O-N 3.17Å; R126-K128 VanDerWaalsContact C-N 3.32Å; R126-K128 PolarHBondContact O-N 3.28Å; K128-E130 PolarHBondContact O-N 3.16Å; K128-I131 PolarHBondContact O-N 2.89Å; K128-V132 WeakPolarHBondContact O-CG2 3.15Å; K128-V132 PolarHBondContact O-N 3.37Å; K128-N151 PolarHBondContact NZ-OD1 3.33Å; K128-L154 HydrophobicContact CD-CB 4.27Å; K128-L154 HydrophobicContact CG-CB 3.89Å; K128-L154 HydrophobicContact CG-CD1 4Å; K128-L154 HydrophobicContact CG-CG 4.47Å; K128-M155 HydrophobicContact CD-CG 4.08Å; K128-M155 HydrophobicContact CD-SD 3.65Å; K128-I158 HydrophobicContact CB-CD1 3.89Å; K128-I158 HydrophobicContact CD-CD1 4.11Å; K128-I158 HydrophobicContact CG-CD1 4.18Å
129N93.3Very high91Very high59 Ų5950.4 Ų50.432%0.31629%0.29SS..Hα-helixtrans-66-39.1-176.4-67.8-9.7000111.7L125 R126 M127 V132 L133 I141L125-N129 PolarHBondContact O-N 3.41Å; L125-N129 PolarHBondContact O-ND2 3.47Å; L125-N129 PolarHBondContact O-OD1 2.87Å; R126-N129 PolarHBondContact O-N 2.64Å; R126-N129 VanDerWaalsContact O-N 3.17Å; M127-N129 PolarHBondContact O-N 2.91Å; N129-V132 PolarHBondContact O-N 2.94Å; N129-L133 VanDerWaalsContact O-CB 3.3Å; N129-L133 WeakPolarHBondContact O-CB 3.44Å; N129-L133 PolarHBondContact O-N 3.15Å; N129-I141 WeakPolarHBondContact OD1-CD1 3.32Å
130E94.8Very high90.5Very high14 Ų1452.3 Ų52.37%0.06530%0.301CS..Hα-helixtrans-68-36.6175.6-65.6-58.2157.500112.3L39 K42 L43 R126 M127 K128 S134L39-E130 HydrophobicContact CD1-CB 3.7Å; K42-E130 WeakPolarHBondContact CD-OE2 3.43Å; K42-E130 WeakPolarHBondContact CE-OE2 3.35Å; K42-E130 IonicContact NZ-OE1 3.96Å; K42-E130 IonicContact NZ-OE2 2.68Å; K42-E130 PolarHBondContact NZ-OE2 3.5Å; L43-E130 HydrophobicContact CD2-CB 3.94Å; L43-E130 HydrophobicContact CD2-CG 3.63Å; L43-E130 HydrophobicContact CG-CB 4.34Å; L43-E130 HydrophobicContact CG-CG 4.35Å; R126-E130 HydrophobicContact CG-CG 4.35Å; R126-E130 IonicContact NH1-OE1 3.95Å; R126-E130 PolarHBondContact NH1-OE1 2.84Å; R126-E130 WeakPolarHBondContact O-CG 3.32Å; R126-E130 PolarHBondContact O-N 2.79Å; M127-E130 PolarHBondContact O-N 2.84Å; K128-E130 PolarHBondContact O-N 3.16Å; E130-S134 WeakPolarHBondContact O-CB 3.47Å; E130-S134 PolarHBondContact O-N 3.02Å; E130-S134 PolarHBondContact O-OG 3.23Å; E130-S134 VanDerWaalsContact O-OG 3.07Å
131I95.9Very high89.6Confident5 Ų549.2 Ų49.23%0.02629%0.287CS..Hα-helixtrans-59.8-54.8172.9-70.6165.4000109.6W35 L39 F77 M127 K128 L133 S134 I135 L154W35-I131 HydrophobicContact CZ2-CG2 4.31Å; L39-I131 HydrophobicContact CD1-CG1 4.4Å; L39-I131 HydrophobicContact CD2-CG1 3.69Å; F77-I131 HydrophobicContact CZ-CD1 4.1Å; M127-I131 HydrophobicContact CG-CD1 3.9Å; M127-I131 VanDerWaalsContact O-CG1 3.28Å; M127-I131 WeakPolarHBondContact O-CG1 3.46Å; M127-I131 PolarHBondContact O-N 3.23Å; K128-I131 PolarHBondContact O-N 2.89Å; I131-L133 PolarHBondContact O-N 3.46Å; I131-S134 PolarHBondContact O-N 3.01Å; I131-S134 PolarHBondContact O-OG 3.43Å; I131-I135 HydrophobicContact CG2-CD1 3.7Å; I131-I135 HydrophobicContact CG2-CG1 4.46Å; I131-I135 WeakPolarHBondContact O-CG1 3.35Å; I131-I135 PolarHBondContact O-N 3.07Å; I131-L154 HydrophobicContact CB-CD1 4.27Å; I131-L154 HydrophobicContact CB-CD2 4.45Å; I131-L154 HydrophobicContact CD1-CD2 3.94Å; I131-L154 HydrophobicContact CG2-CD1 3.88Å; I131-L154 HydrophobicContact CG2-CD2 4.02Å
132V94.6Very high88.9Confident0 Ų056.3 Ų56.30%030%0.299CS..Hα-helixtrans-55.9-52.5-180177.10000110.5K128 N129 S134 I135 T136 I141 C147 W150 L154K128-V132 WeakPolarHBondContact O-CG2 3.15Å; K128-V132 PolarHBondContact O-N 3.37Å; N129-V132 PolarHBondContact O-N 2.94Å; V132-S134 VanDerWaalsContact C-N 3.29Å; V132-S134 PolarHBondContact O-N 3.47Å; V132-I135 PolarHBondContact O-N 3.44Å; V132-T136 HydrophobicContact CG1-CG2 4.23Å; V132-T136 WeakPolarHBondContact O-CG2 3.46Å; V132-T136 PolarHBondContact O-N 2.77Å; V132-T136 PolarHBondContact O-OG1 2.93Å; V132-I141 HydrophobicContact CG1-CG1 4.18Å; V132-C147 HydrophobicContact CG1-CB 3.97Å; V132-W150 HydrophobicContact CG2-CB 4.23Å; V132-L154 HydrophobicContact CG2-CD1 3.47Å; V132-L154 VanDerWaalsContact CG2-CD1 3.47Å
133L93.6Very high88.2Confident54 Ų5462 Ų6228%0.28331%0.308SS..Hα-helixtrans-57.9-41.4179.9178.162.9000112.4N129 I131 I135 G137N129-L133 VanDerWaalsContact O-CB 3.3Å; N129-L133 WeakPolarHBondContact O-CB 3.44Å; N129-L133 PolarHBondContact O-N 3.15Å; I131-L133 PolarHBondContact O-N 3.46Å; L133-I135 VanDerWaalsContact C-N 3.31Å; L133-I135 PolarHBondContact O-N 2.91Å; L133-G137 VanDerWaalsContact O-CA 3.25Å; L133-G137 WeakPolarHBondContact O-CA 3.17Å; L133-G137 PolarHBondContact O-N 3.15Å
134S94.6Very high88.1Confident49 Ų4963.2 Ų63.234%0.34331%0.314SS..Hα-helixtrans-70.8-25.4-178.272.10000113.9W35 E130 I131 V132W35-S134 PolarHBondContact NE1-OG 3.39Å; E130-S134 WeakPolarHBondContact O-CB 3.47Å; E130-S134 PolarHBondContact O-N 3.02Å; E130-S134 PolarHBondContact O-OG 3.23Å; E130-S134 VanDerWaalsContact O-OG 3.07Å; I131-S134 PolarHBondContact O-N 3.01Å; I131-S134 PolarHBondContact O-OG 3.43Å; V132-S134 VanDerWaalsContact C-N 3.29Å; V132-S134 PolarHBondContact O-N 3.47Å
135I94.8Very high88.1Confident19 Ų1966.2 Ų66.210%0.09733%0.325CS..Hα-helixtrans-91.1-43.9-179.7-63.8178000110.6W26 I29 W35 I131 V132 L133 W150W26-I135 HydrophobicContact CE3-CD1 4.27Å; W26-I135 HydrophobicContact CZ3-CD1 4.35Å; I29-I135 HydrophobicContact CD1-CB 4.47Å; I29-I135 HydrophobicContact CD1-CD1 4.38Å; I29-I135 HydrophobicContact CD1-CG1 3.85Å; I29-I135 HydrophobicContact CD1-CG2 4.24Å; W35-I135 HydrophobicContact CH2-CD1 4.35Å; W35-I135 HydrophobicContact CZ2-CD1 3.82Å; W35-I135 HydrophobicContact CZ2-CG1 3.77Å; I131-I135 HydrophobicContact CG2-CD1 3.7Å; I131-I135 HydrophobicContact CG2-CG1 4.46Å; I131-I135 WeakPolarHBondContact O-CG1 3.35Å; I131-I135 PolarHBondContact O-N 3.07Å; V132-I135 PolarHBondContact O-N 3.44Å; L133-I135 VanDerWaalsContact C-N 3.31Å; L133-I135 PolarHBondContact O-N 2.91Å; I135-W150 HydrophobicContact CD1-CD2 4.16Å; I135-W150 HydrophobicContact CD1-CE3 4.05Å; I135-W150 HydrophobicContact CD1-CH2 3.6Å; I135-W150 HydrophobicContact CD1-CZ2 3.74Å; I135-W150 HydrophobicContact CD1-CZ3 3.77Å; I135-W150 HydrophobicContact CG2-CZ2 3.81Å
136T91.9Very high88.2Confident22 Ų2263 Ų6314%0.13531%0.31CS..Hα-helixtrans-95.6-21.8-171.971.20000113.2V132 F138 V146 C147V132-T136 HydrophobicContact CG1-CG2 4.23Å; V132-T136 WeakPolarHBondContact O-CG2 3.46Å; V132-T136 PolarHBondContact O-N 2.77Å; V132-T136 PolarHBondContact O-OG1 2.93Å; T136-F138 VanDerWaalsContact O-CD2 3.23Å; T136-F138 WeakPolarHBondContact O-CD2 3.4Å; T136-F138 WeakPolarHBondContact O-CE2 3.27Å; T136-F138 PolarHBondContact O-N 3.09Å; T136-F138 PolarHBondContact OG1-N 3.22Å; T136-F138 VanDerWaalsContact OG1-N 3.17Å; T136-V146 HydrophobicContact CG2-CB 4.32Å; T136-V146 HydrophobicContact CG2-CG1 3.83Å; T136-C147 PolarHBondContact OG1-SG 3.44Å
137G89.3Confident88.3Confident59 Ų5957.7 Ų57.761%0.60829%0.289SS*.SBendtrans75.2-2.6-171.300000114.2L133L133-G137 VanDerWaalsContact O-CA 3.25Å; L133-G137 WeakPolarHBondContact O-CA 3.17Å; L133-G137 PolarHBondContact O-N 3.15Å
138F82.6Confident88.3Confident107 Ų10759.8 Ų59.847%0.46930%0.301SS..  trans-104.7136-178.1-57.4-69.2000111.6T136 D144T136-F138 VanDerWaalsContact O-CD2 3.23Å; T136-F138 WeakPolarHBondContact O-CD2 3.4Å; T136-F138 WeakPolarHBondContact O-CE2 3.27Å; T136-F138 PolarHBondContact O-N 3.09Å; T136-F138 PolarHBondContact OG1-N 3.22Å; T136-F138 VanDerWaalsContact OG1-N 3.17Å; F138-D144 HydrophobicContact CD2-CB 4.22Å
139S74.6Confident88.4Confident105 Ų10559.2 Ų59.273%0.73430%0.298SS*.SBendtrans-86.5-26.3174.555.20000112.9I141S139-I141 PolarHBondContact O-N 2.84Å
140D76.1Confident88.5Confident62 Ų6256.4 Ų56.433%0.33228%0.283SS..  trans-86.892.4-179.3-167.1-14.6000111.4R142 R143D140-R142 PolarHBondContact O-N 2.78Å; D140-R142 VanDerWaalsContact O-N 3.09Å; D140-R142 WeakPolarHBondContact OD1-CB 3.45Å; D140-R142 PolarHBondContact OD1-N 2.86Å; D140-R143 PolarHBondContact O-N 2.99Å; D140-R143 WeakPolarHBondContact OD2-CD 3.45Å; D140-R143 WeakPolarHBondContact OD2-CG 3.45Å; D140-R143 IonicContact OD2-CZ 3.46Å; D140-R143 IonicContact OD2-NE 2.65Å; D140-R143 PolarHBondContact OD2-NE 2.85Å; D140-R143 VanDerWaalsContact OD2-NE 3.15Å
141I72.4Confident88.5Confident32 Ų3257.6 Ų57.616%0.16429%0.29CS..THydrogen-bonded Turntrans-59.1-22.2178.5-62.1169.4000112.3N129 V132 S139 L148 N151N129-I141 WeakPolarHBondContact OD1-CD1 3.32Å; V132-I141 HydrophobicContact CG1-CG1 4.18Å; S139-I141 PolarHBondContact O-N 2.84Å; I141-L148 VanDerWaalsContact O-CD2 3.27Å; I141-L148 WeakPolarHBondContact O-CD2 3.2Å; I141-L148 WeakPolarHBondContact O-CG 3.04Å; I141-N151 HydrophobicContact CG2-CB 3.71Å
142R74Confident88.4Confident218 Ų21862.6 Ų62.682%0.82331%0.308SS*.THydrogen-bonded Turntrans-91.2-18.1-170.8-61.3-172.2-179.3-161.51114.2D140D140-R142 PolarHBondContact O-N 2.78Å; D140-R142 VanDerWaalsContact O-N 3.09Å; D140-R142 WeakPolarHBondContact OD1-CB 3.45Å; D140-R142 PolarHBondContact OD1-N 2.86Å
143R75.5Confident88.5Confident219 Ų21962.6 Ų62.683%0.82631%0.308SS*.THydrogen-bonded Turntrans-102.4-24.6-172-71.3-173.7-174.9-167.9-2.8114.3D140D140-R143 PolarHBondContact O-N 2.99Å; D140-R143 WeakPolarHBondContact OD2-CD 3.45Å; D140-R143 WeakPolarHBondContact OD2-CG 3.45Å; D140-R143 IonicContact OD2-CZ 3.46Å; D140-R143 IonicContact OD2-NE 2.65Å; D140-R143 PolarHBondContact OD2-NE 2.85Å; D140-R143 VanDerWaalsContact OD2-NE 3.15Å
144D88.3Confident88.6Confident40 Ų4060.1 Ų60.121%0.21430%0.296CS..  trans-105.9131.2-175176.8-97.5000111.1F138 V146 C147 L148F138-D144 HydrophobicContact CD2-CB 4.22Å; D144-V146 VanDerWaalsContact C-N 3.33Å; D144-V146 PolarHBondContact O-N 3.39Å; D144-V146 WeakPolarHBondContact OD1-CA 3.33Å; D144-V146 WeakPolarHBondContact OD1-CB 3.42Å; D144-V146 PolarHBondContact OD1-N 2.89Å; D144-C147 HydrophobicContact CB-CB 4.14Å; D144-C147 WeakPolarHBondContact O-CB 3.45Å; D144-C147 PolarHBondContact O-N 3.08Å; D144-C147 PolarHBondContact OD1-N 2.94Å; D144-C147 PolarHBondContact OD1-SG 3.27Å; D144-L148 PolarHBondContact O-N 2.86Å
145R92.1Very high88.6Confident93 Ų9362 Ų6235%0.35130%0.3SS..Hα-helixtrans-64.2-39.3-176.2-171.3173.9-178.9162.9-1.4111.7D15 Q17 D18 L21 C147 L148 S149D15-R145 IonicContact OD1-NH2 3.57Å; D15-R145 PolarHBondContact OD1-NH2 3.18Å; D15-R145 IonicContact OD2-NH2 3.97Å; D15-R145 PolarHBondContact OD2-NH2 2.99Å; Q17-R145 VanDerWaalsContact NE2-NH1 3.19Å; D18-R145 IonicContact OD1-NE 3.98Å; L21-R145 HydrophobicContact CD1-CB 4.07Å; L21-R145 HydrophobicContact CD1-CG 3.6Å; R145-C147 VanDerWaalsContact C-N 3.28Å; R145-C147 PolarHBondContact O-N 3.22Å; R145-L148 PolarHBondContact O-N 2.68Å; R145-L148 VanDerWaalsContact O-N 3.15Å; R145-S149 PolarHBondContact O-N 2.89Å; R145-S149 PolarHBondContact O-OG 3.37Å
146V94.1Very high88.7Confident28 Ų2861.4 Ų61.417%0.1730%0.297CS..Hα-helixtrans-60.4-43.7177.8-169.30000109.7L21 T136 D144 L148 S149 W150L21-V146 HydrophobicContact CB-CG2 4.34Å; L21-V146 HydrophobicContact CD1-CG2 4.31Å; L21-V146 HydrophobicContact CD2-CG2 4.02Å; L21-V146 HydrophobicContact CG-CG2 4.44Å; T136-V146 HydrophobicContact CG2-CB 4.32Å; T136-V146 HydrophobicContact CG2-CG1 3.83Å; D144-V146 VanDerWaalsContact C-N 3.33Å; D144-V146 PolarHBondContact O-N 3.39Å; D144-V146 WeakPolarHBondContact OD1-CA 3.33Å; D144-V146 WeakPolarHBondContact OD1-CB 3.42Å; D144-V146 PolarHBondContact OD1-N 2.89Å; V146-L148 PolarHBondContact O-N 2.86Å; V146-S149 PolarHBondContact O-N 3.25Å; V146-W150 VanDerWaalsContact O-CD1 3.27Å; V146-W150 PolarHBondContact O-N 3.28Å
147C94.5Very high88.9Confident0 Ų060.6 Ų60.60%029%0.292CS..Hα-helixtrans-62.8-40.4176.2-61.20000113V132 T136 D144 R145 N151V132-C147 HydrophobicContact CG1-CB 3.97Å; T136-C147 PolarHBondContact OG1-SG 3.44Å; D144-C147 HydrophobicContact CB-CB 4.14Å; D144-C147 WeakPolarHBondContact O-CB 3.45Å; D144-C147 PolarHBondContact O-N 3.08Å; D144-C147 PolarHBondContact OD1-N 2.94Å; D144-C147 PolarHBondContact OD1-SG 3.27Å; R145-C147 VanDerWaalsContact C-N 3.28Å; R145-C147 PolarHBondContact O-N 3.22Å; C147-N151 WeakPolarHBondContact O-CB 3.45Å; C147-N151 PolarHBondContact O-N 3.25Å
148L93.6Very high89.2Confident59 Ų5959.2 Ų59.231%0.30927%0.27SS..Hα-helixtrans-63.7-46176.1-71.9172.3000111.6I141 D144 R145 V146 N151 R152I141-L148 VanDerWaalsContact O-CD2 3.27Å; I141-L148 WeakPolarHBondContact O-CD2 3.2Å; I141-L148 WeakPolarHBondContact O-CG 3.04Å; D144-L148 PolarHBondContact O-N 2.86Å; R145-L148 PolarHBondContact O-N 2.68Å; R145-L148 VanDerWaalsContact O-N 3.15Å; V146-L148 PolarHBondContact O-N 2.86Å; L148-N151 PolarHBondContact O-N 3.32Å; L148-R152 WeakPolarHBondContact O-CG 3.37Å; L148-R152 PolarHBondContact O-N 2.7Å
149S95.1Very high89.8Confident0 Ų054.6 Ų54.60%025%0.252CS..Hα-helixtrans-60.9-48.6178.6-45.30000111D18 R145 V146 N151 R152 L153D18-S149 PolarHBondContact OD1-OG 2.9Å; R145-S149 PolarHBondContact O-N 2.89Å; R145-S149 PolarHBondContact O-OG 3.37Å; V146-S149 PolarHBondContact O-N 3.25Å; S149-N151 VanDerWaalsContact C-N 3.33Å; S149-N151 PolarHBondContact O-N 3Å; S149-R152 PolarHBondContact O-N 3.39Å; S149-L153 PolarHBondContact O-N 3.21Å; S149-L153 VanDerWaalsContact O-N 3.17Å
150W96Very high90.8Very high0 Ų049.6 Ų49.60%022%0.217CC..Hα-helixtrans-60.5-41.2174-85.5104.1000112.9I22 S25 W26 W81 I85 V132 I135 V146 R152 L153 L154I22-W150 HydrophobicContact CG1-CD2 4.46Å; I22-W150 HydrophobicContact CG1-CG 4.48Å; I22-W150 HydrophobicContact CG2-CD2 4.45Å; I22-W150 HydrophobicContact CG2-CH2 4Å; I22-W150 HydrophobicContact CG2-CZ2 3.79Å; I22-W150 HydrophobicContact CG2-CZ3 4.4Å; S25-W150 PolarHBondContact OG-NE1 3.4Å; W26-W150 HydrophobicContact CB-CH2 4.29Å; W26-W150 HydrophobicContact CB-CZ2 4.02Å; W26-W150 HydrophobicContact CD2-CH2 4.41Å; W26-W150 AromaticContact CE3-CH2 3.77Å; W26-W150 HydrophobicContact CE3-CH2 3.77Å; W26-W150 HydrophobicContact CE3-CZ2 4.31Å; W81-W150 HydrophobicContact CE3-CZ3 4.16Å; W81-W150 HydrophobicContact CZ3-CZ3 4.11Å; I85-W150 HydrophobicContact CD1-CH2 3.64Å; I85-W150 HydrophobicContact CD1-CZ3 4.36Å; V132-W150 HydrophobicContact CG2-CB 4.23Å; I135-W150 HydrophobicContact CD1-CD2 4.16Å; I135-W150 HydrophobicContact CD1-CE3 4.05Å; I135-W150 HydrophobicContact CD1-CH2 3.6Å; I135-W150 HydrophobicContact CD1-CZ2 3.74Å; I135-W150 HydrophobicContact CD1-CZ3 3.77Å; I135-W150 HydrophobicContact CG2-CZ2 3.81Å; V146-W150 VanDerWaalsContact O-CD1 3.27Å; V146-W150 PolarHBondContact O-N 3.28Å; W150-R152 VanDerWaalsContact C-N 3.34Å; W150-R152 PolarHBondContact O-N 3.41Å; W150-L153 HydrophobicContact CE3-CD2 4.34Å; W150-L153 HydrophobicContact CZ3-CD2 4.24Å; W150-L153 PolarHBondContact O-N 3.49Å; W150-L154 HydrophobicContact CB-CD1 4.48Å; W150-L154 WeakPolarHBondContact O-CB 3.48Å; W150-L154 WeakPolarHBondContact O-CD1 3.18Å; W150-L154 WeakPolarHBondContact O-CG 3.43Å; W150-L154 PolarHBondContact O-N 3.38Å
151N94.3Very high91.8Very high38 Ų3847.2 Ų47.220%0.20320%0.204CC..Hα-helixtrans-63.8-39.3179.4-178.373.1000111.7K128 I141 C147 L148 S149 M155K128-N151 PolarHBondContact NZ-OD1 3.33Å; I141-N151 HydrophobicContact CG2-CB 3.71Å; C147-N151 WeakPolarHBondContact O-CB 3.45Å; C147-N151 PolarHBondContact O-N 3.25Å; L148-N151 PolarHBondContact O-N 3.32Å; S149-N151 VanDerWaalsContact C-N 3.33Å; S149-N151 PolarHBondContact O-N 3Å; N151-M155 VanDerWaalsContact O-CB 3.25Å; N151-M155 WeakPolarHBondContact O-CB 3.43Å; N151-M155 WeakPolarHBondContact O-CG 3.39Å; N151-M155 PolarHBondContact O-N 3.14Å
152R94.8Very high92.9Very high110 Ų11049.9 Ų49.942%0.41521%0.214SC..Hα-helixtrans-59.8-51.3173.4-70.5178.3-169.9130.84.3111.1L12 L14 D18 L148 S149 W150 L154 M155 F156L12-R152 HydrophobicContact CD1-CB 4.37Å; L14-R152 HydrophobicContact CD2-CB 4.18Å; D18-R152 IonicContact OD1-NH1 3.15Å; D18-R152 PolarHBondContact OD1-NH1 3.31Å; D18-R152 IonicContact OD2-CZ 3.86Å; D18-R152 IonicContact OD2-NH1 3.34Å; D18-R152 PolarHBondContact OD2-NH1 3.28Å; L148-R152 WeakPolarHBondContact O-CG 3.37Å; L148-R152 PolarHBondContact O-N 2.7Å; S149-R152 PolarHBondContact O-N 3.39Å; W150-R152 VanDerWaalsContact C-N 3.34Å; W150-R152 PolarHBondContact O-N 3.41Å; R152-L154 PolarHBondContact O-N 3.04Å; R152-M155 PolarHBondContact O-N 3.05Å; R152-F156 PolarHBondContact O-N 3.41Å
153L96Very high94Very high0 Ų042.2 Ų42.20%019%0.188CC..Hα-helixtrans-59.4-47.3179.2175.758.6000112.4L12 I22 W81 L88 S149 W150 F156 T157L12-L153 HydrophobicContact CD2-CD1 3.96Å; I22-L153 HydrophobicContact CD1-CB 4.28Å; I22-L153 HydrophobicContact CD1-CD2 4.2Å; I22-L153 HydrophobicContact CG2-CD2 4.06Å; W81-L153 HydrophobicContact CZ3-CD2 4.01Å; W81-L153 HydrophobicContact CZ3-CG 4.18Å; L88-L153 HydrophobicContact CD1-CD1 3.55Å; S149-L153 PolarHBondContact O-N 3.21Å; S149-L153 VanDerWaalsContact O-N 3.17Å; W150-L153 HydrophobicContact CE3-CD2 4.34Å; W150-L153 HydrophobicContact CZ3-CD2 4.24Å; W150-L153 PolarHBondContact O-N 3.49Å; L153-F156 PolarHBondContact O-N 3.17Å; L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 PolarHBondContact O-N 3.17Å; L153-T157 PolarHBondContact O-OG1 3.42Å
154L96.2Very high95Very high3 Ų331.8 Ų31.82%0.01615%0.148CC..Hα-helixtrans-65.4-41.1179.7-75.3160.9000112W81 K128 I131 V132 W150 R152 F156 T157 I158W81-L154 HydrophobicContact CH2-CD2 3.33Å; W81-L154 HydrophobicContact CH2-CG 4.14Å; W81-L154 HydrophobicContact CZ2-CD2 3.45Å; W81-L154 VanDerWaalsContact CZ2-CD2 3.45Å; W81-L154 HydrophobicContact CZ3-CD2 4.41Å; K128-L154 HydrophobicContact CD-CB 4.27Å; K128-L154 HydrophobicContact CG-CB 3.89Å; K128-L154 HydrophobicContact CG-CD1 4Å; K128-L154 HydrophobicContact CG-CG 4.47Å; I131-L154 HydrophobicContact CB-CD1 4.27Å; I131-L154 HydrophobicContact CB-CD2 4.45Å; I131-L154 HydrophobicContact CD1-CD2 3.94Å; I131-L154 HydrophobicContact CG2-CD1 3.88Å; I131-L154 HydrophobicContact CG2-CD2 4.02Å; V132-L154 HydrophobicContact CG2-CD1 3.47Å; V132-L154 VanDerWaalsContact CG2-CD1 3.47Å; W150-L154 HydrophobicContact CB-CD1 4.48Å; W150-L154 WeakPolarHBondContact O-CB 3.48Å; W150-L154 WeakPolarHBondContact O-CD1 3.18Å; W150-L154 WeakPolarHBondContact O-CG 3.43Å; W150-L154 PolarHBondContact O-N 3.38Å; R152-L154 PolarHBondContact O-N 3.04Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 3.36Å; L154-T157 PolarHBondContact O-N 3.49Å; L154-I158 WeakPolarHBondContact O-CB 3.11Å; L154-I158 WeakPolarHBondContact O-CG1 3.37Å; L154-I158 PolarHBondContact O-N 3.39Å
155M94.5Very high95.3Very high87 Ų8730.5 Ų30.543%0.42914%0.141SC..Hα-helixtrans-64.8-39.2178.4-75.5-63.9-63.500112.1K128 N151 R152 A159K128-M155 HydrophobicContact CD-CG 4.08Å; K128-M155 HydrophobicContact CD-SD 3.65Å; N151-M155 VanDerWaalsContact O-CB 3.25Å; N151-M155 WeakPolarHBondContact O-CB 3.43Å; N151-M155 WeakPolarHBondContact O-CG 3.39Å; N151-M155 PolarHBondContact O-N 3.14Å; R152-M155 PolarHBondContact O-N 3.05Å; M155-A159 WeakPolarHBondContact O-CB 3.11Å; M155-A159 PolarHBondContact O-N 2.82Å; M155-A159 VanDerWaalsContact O-N 3.1Å
156F95.9Very high95.5Very high7 Ų729.2 Ų29.23%0.03114%0.141CC..Hα-helixtrans-63-50.8172.2179.6-99.3000111.2V3 K10 L12 V101 I104 R152 L153 L154 I158 A159 E160V3-F156 HydrophobicContact CG1-CZ 4.41Å; K10-F156 HydrophobicContact CB-CD2 4.49Å; L12-F156 HydrophobicContact CB-CB 4.13Å; L12-F156 HydrophobicContact CB-CD1 4.02Å; L12-F156 HydrophobicContact CB-CD2 3.64Å; L12-F156 HydrophobicContact CB-CE1 4.32Å; L12-F156 HydrophobicContact CB-CE2 3.97Å; L12-F156 HydrophobicContact CB-CG 3.66Å; L12-F156 HydrophobicContact CB-CZ 4.3Å; L12-F156 HydrophobicContact CD1-CB 4.04Å; L12-F156 HydrophobicContact CD1-CG 4.44Å; L12-F156 HydrophobicContact CD2-CD1 4.01Å; L12-F156 HydrophobicContact CD2-CE1 4.44Å; L12-F156 HydrophobicContact CD2-CG 4.33Å; L12-F156 HydrophobicContact CG-CB 4.48Å; L12-F156 HydrophobicContact CG-CG 4.36Å; V101-F156 HydrophobicContact CG2-CE1 4.01Å; V101-F156 HydrophobicContact CG2-CZ 3.91Å; I104-F156 HydrophobicContact CD1-CD1 4.38Å; I104-F156 HydrophobicContact CD1-CE1 4.25Å; R152-F156 PolarHBondContact O-N 3.41Å; L153-F156 PolarHBondContact O-N 3.17Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 3.36Å; F156-I158 VanDerWaalsContact C-N 3.35Å; F156-I158 PolarHBondContact O-N 3.01Å; F156-A159 WeakPolarHBondContact O-CB 3.34Å; F156-A159 PolarHBondContact O-N 3.31Å; F156-E160 HydrophobicContact CD1-CG 4.44Å; F156-E160 HydrophobicContact CE1-CG 3.98Å; F156-E160 HydrophobicContact CE2-CG 4.34Å; F156-E160 HydrophobicContact CZ-CG 3.92Å; F156-E160 PolarHBondContact O-N 3.27Å
157T96.3Very high95.5Very high5 Ų529.7 Ų29.73%0.03114%0.141CC..Hα-helixtrans-56.1-47.4179-58.60000112.1F80 W81 L84 I104 L153 L154 A159 E160 M161F80-T157 HydrophobicContact CE1-CG2 4.48Å; F80-T157 HydrophobicContact CZ-CG2 4.38Å; W81-T157 HydrophobicContact CH2-CG2 4.29Å; L84-T157 HydrophobicContact CD2-CG2 4.46Å; I104-T157 HydrophobicContact CD1-CG2 4.34Å; I104-T157 HydrophobicContact CG1-CG2 4.16Å; I104-T157 HydrophobicContact CG2-CG2 3.99Å; I104-T157 WeakPolarHBondContact CG2-O 3.43Å; L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 PolarHBondContact O-N 3.17Å; L153-T157 PolarHBondContact O-OG1 3.42Å; L154-T157 PolarHBondContact O-N 3.49Å; T157-A159 VanDerWaalsContact C-N 3.3Å; T157-A159 PolarHBondContact O-N 3.46Å; T157-E160 PolarHBondContact O-N 2.97Å; T157-M161 WeakPolarHBondContact O-CB 3.39Å; T157-M161 PolarHBondContact O-N 3.38Å
158I95.8Very high95.5Very high31 Ų3130.1 Ų30.116%0.15915%0.146CC..Hα-helixtrans-62.1-39.6178.1-73.4167.9000111F119 K128 L154 F156 K162F119-I158 HydrophobicContact CE1-CG2 3.87Å; F119-I158 HydrophobicContact CZ-CG2 4.18Å; K128-I158 HydrophobicContact CB-CD1 3.89Å; K128-I158 HydrophobicContact CD-CD1 4.11Å; K128-I158 HydrophobicContact CG-CD1 4.18Å; L154-I158 WeakPolarHBondContact O-CB 3.11Å; L154-I158 WeakPolarHBondContact O-CG1 3.37Å; L154-I158 PolarHBondContact O-N 3.39Å; F156-I158 VanDerWaalsContact C-N 3.35Å; F156-I158 PolarHBondContact O-N 3.01Å; I158-K162 WeakPolarHBondContact O-CB 2.91Å; I158-K162 PolarHBondContact O-N 3.44Å
159A95.4Very high95.4Very high10 Ų1029.3 Ų29.38%0.08314%0.143CC..Hα-helixtrans-66.8-47.5-179.900000112.4K10 M155 F156 T157 K162 H163K10-A159 HydrophobicContact CD-CB 3.47Å; K10-A159 VanDerWaalsContact CD-CB 3.47Å; K10-A159 VanDerWaalsContact NZ-CB 3.29Å; M155-A159 WeakPolarHBondContact O-CB 3.11Å; M155-A159 PolarHBondContact O-N 2.82Å; M155-A159 VanDerWaalsContact O-N 3.1Å; F156-A159 WeakPolarHBondContact O-CB 3.34Å; F156-A159 PolarHBondContact O-N 3.31Å; T157-A159 VanDerWaalsContact C-N 3.3Å; T157-A159 PolarHBondContact O-N 3.46Å; A159-K162 PolarHBondContact O-N 3Å; A159-H163 WeakPolarHBondContact O-CB 3.41Å; A159-H163 PolarHBondContact O-N 3.06Å
160E96.4Very high95.3Very high0 Ų036.4 Ų36.40%017%0.17CC..Hα-helixtrans-61.1-48.8176.5-77.8-49.2121.700111.7S5 T8 V101 I104 R105 F156 T157 K162 H163 A164S5-E160 WeakPolarHBondContact CB-OE1 3.44Å; S5-E160 PolarHBondContact OG-OE1 3.45Å; S5-E160 PolarHBondContact OG-OE2 3.22Å; T8-E160 WeakPolarHBondContact CB-OE1 3.25Å; T8-E160 WeakPolarHBondContact CG2-OE1 3.44Å; T8-E160 PolarHBondContact OG1-OE1 3.3Å; V101-E160 HydrophobicContact CG1-CG 4.27Å; I104-E160 HydrophobicContact CB-CB 4.29Å; I104-E160 HydrophobicContact CG2-CB 3.52Å; R105-E160 IonicContact NH1-OE2 3.09Å; F156-E160 HydrophobicContact CD1-CG 4.44Å; F156-E160 HydrophobicContact CE1-CG 3.98Å; F156-E160 HydrophobicContact CE2-CG 4.34Å; F156-E160 HydrophobicContact CZ-CG 3.92Å; F156-E160 PolarHBondContact O-N 3.27Å; T157-E160 PolarHBondContact O-N 2.97Å; E160-K162 PolarHBondContact O-N 3.48Å; E160-H163 PolarHBondContact O-N 2.98Å; E160-A164 WeakPolarHBondContact O-CB 3.27Å; E160-A164 PolarHBondContact O-N 3.33Å
161M96.5Very high94.8Very high11 Ų1141.4 Ų41.45%0.05419%0.189CC..Hα-helixtrans-62.9-42.6179.9-170.4174.649.200111.4I104 L107 G108 F119 W124 T157 A164 F165I104-M161 HydrophobicContact CG2-CB 3.94Å; L107-M161 HydrophobicContact CD2-SD 3.82Å; L107-M161 HydrophobicContact CG-SD 4.05Å; G108-M161 VanDerWaalsContact CA-CG 3.46Å; G108-M161 WeakPolarHBondContact CA-O 3.31Å; F119-M161 HydrophobicContact CE2-CB 4.35Å; F119-M161 HydrophobicContact CE2-CE 3.9Å; F119-M161 HydrophobicContact CE2-CG 4.03Å; F119-M161 HydrophobicContact CZ-CB 4.45Å; F119-M161 HydrophobicContact CZ-CE 3.73Å; W124-M161 HydrophobicContact CE3-CE 3.81Å; W124-M161 HydrophobicContact CH2-CE 3.21Å; W124-M161 HydrophobicContact CH2-SD 4.02Å; W124-M161 HydrophobicContact CZ2-CE 4.06Å; W124-M161 HydrophobicContact CZ3-CE 3.1Å; W124-M161 HydrophobicContact CZ3-SD 4.37Å; T157-M161 WeakPolarHBondContact O-CB 3.39Å; T157-M161 PolarHBondContact O-N 3.38Å; M161-A164 PolarHBondContact O-N 3.04Å; M161-F165 WeakPolarHBondContact O-CB 3.42Å; M161-F165 PolarHBondContact O-N 3.34Å
162K96.3Very high94.3Very high89 Ų8943.9 Ų43.939%0.38720%0.195SC..Hα-helixtrans-62.4-44.4176.9-177.2175.2179.7179.50111.6F119 I158 A159 E160 F165 N166F119-K162 HydrophobicContact CB-CG 4.41Å; F119-K162 HydrophobicContact CD1-CB 3.82Å; F119-K162 HydrophobicContact CD1-CD 3.79Å; F119-K162 HydrophobicContact CD1-CG 3.66Å; F119-K162 HydrophobicContact CD2-CB 4.15Å; F119-K162 HydrophobicContact CD2-CG 4.31Å; F119-K162 HydrophobicContact CE1-CB 3.6Å; F119-K162 HydrophobicContact CE1-CD 4.11Å; F119-K162 HydrophobicContact CE1-CG 3.97Å; F119-K162 HydrophobicContact CE2-CB 3.93Å; F119-K162 HydrophobicContact CG-CB 4.09Å; F119-K162 HydrophobicContact CG-CD 4.4Å; F119-K162 HydrophobicContact CG-CG 3.84Å; F119-K162 HydrophobicContact CZ-CB 3.64Å; F119-K162 HydrophobicContact CZ-CG 4.4Å; I158-K162 WeakPolarHBondContact O-CB 2.91Å; I158-K162 PolarHBondContact O-N 3.44Å; A159-K162 PolarHBondContact O-N 3Å; E160-K162 PolarHBondContact O-N 3.48Å; K162-F165 PolarHBondContact O-N 2.8Å; K162-N166 WeakPolarHBondContact O-CB 3.45Å; K162-N166 VanDerWaalsContact O-CG 3.3Å; K162-N166 PolarHBondContact O-N 2.94Å
163H96.3Very high93.6Very high57 Ų5743 Ų4326%0.26421%0.206SC..Hα-helixtrans-61.5-50.8179-179.5-75000110.8W7 T8 R105 A159 E160 F165 N166 E167W7-H163 PolarHBondContact O-NE2 3.34Å; T8-H163 HydrophobicContact CG2-CB 3.44Å; T8-H163 VanDerWaalsContact CG2-CB 3.44Å; R105-H163 PolarHBondContact NH1-ND1 3.34Å; A159-H163 WeakPolarHBondContact O-CB 3.41Å; A159-H163 PolarHBondContact O-N 3.06Å; E160-H163 PolarHBondContact O-N 2.98Å; H163-F165 VanDerWaalsContact C-N 3.31Å; H163-F165 PolarHBondContact O-N 3.19Å; H163-N166 PolarHBondContact O-N 3.35Å; H163-E167 IonicContact CE1-OE2 3.99Å; H163-E167 IonicContact ND1-OE2 3.11Å; H163-E167 WeakPolarHBondContact O-CB 3.42Å; H163-E167 PolarHBondContact O-N 3.2Å
164A96.3Very high92.6Very high0 Ų044.4 Ų44.40%022%0.216CC..Hα-helixtrans-62.1-37.8177.600000112.5R105 Q109 E160 M161 E167 G168R105-A164 HydrophobicContact CB-CB 3.99Å; R105-A164 HydrophobicContact CG-CB 4.25Å; R105-A164 VanDerWaalsContact O-CB 3.28Å; R105-A164 WeakPolarHBondContact O-CB 3.45Å; Q109-A164 HydrophobicContact CG-CB 4.23Å; E160-A164 WeakPolarHBondContact O-CB 3.27Å; E160-A164 PolarHBondContact O-N 3.33Å; M161-A164 PolarHBondContact O-N 3.04Å; A164-E167 PolarHBondContact O-N 3.4Å; A164-G168 PolarHBondContact O-N 3.48Å
165F96.2Very high90.9Very high12 Ų1249 Ų495%0.05325%0.246CC..Hα-helixtrans-60.2-51.3173.4176.3-85.4000111.6G108 H111 S112 V117 F119 M161 K162 H163 E167 G168 V169G108-F165 WeakPolarHBondContact O-CA 3.2Å; H111-F165 HydrophobicContact CB-CD2 3.98Å; H111-F165 HydrophobicContact CB-CE2 4.32Å; H111-F165 WeakPolarHBondContact O-CE2 3.46Å; S112-F165 VanDerWaalsContact CA-CD2 3.5Å; S112-F165 VanDerWaalsContact CB-O 3.31Å; S112-F165 WeakPolarHBondContact CB-O 3.31Å; V117-F165 HydrophobicContact CB-CE2 4.44Å; V117-F165 HydrophobicContact CG1-CE2 3.97Å; V117-F165 WeakPolarHBondContact O-CZ 3.31Å; F119-F165 HydrophobicContact CB-CD1 3.97Å; F119-F165 HydrophobicContact CB-CE1 4.06Å; F119-F165 HydrophobicContact CD2-CB 3.98Å; F119-F165 HydrophobicContact CD2-CD1 4.11Å; F119-F165 HydrophobicContact CD2-CD2 4.34Å; F119-F165 AromaticContact CD2-CG 3.89Å; F119-F165 HydrophobicContact CD2-CG 3.89Å; F119-F165 HydrophobicContact CE2-CB 4.46Å; F119-F165 HydrophobicContact CG-CD1 4.49Å; M161-F165 WeakPolarHBondContact O-CB 3.42Å; M161-F165 PolarHBondContact O-N 3.34Å; K162-F165 PolarHBondContact O-N 2.8Å; H163-F165 VanDerWaalsContact C-N 3.31Å; H163-F165 PolarHBondContact O-N 3.19Å; F165-E167 VanDerWaalsContact C-N 3.29Å; F165-E167 PolarHBondContact O-N 3.09Å; F165-G168 PolarHBondContact O-N 2.92Å; F165-G168 VanDerWaalsContact O-N 3.14Å; F165-V169 HydrophobicContact CD1-CG2 3.96Å; F165-V169 HydrophobicContact CE1-CG2 3.51Å; F165-V169 HydrophobicContact CZ-CG2 3.82Å; F165-V169 WeakPolarHBondContact O-CG2 3.02Å; F165-V169 PolarHBondContact O-N 2.97Å
166N95.1Very high89.2Confident67 Ų6753.5 Ų53.536%0.35826%0.263SS..Hα-helixtrans-64-35.3-179.6-74.6-13.8000112.3K162 H163 R170K162-N166 WeakPolarHBondContact O-CB 3.45Å; K162-N166 VanDerWaalsContact O-CG 3.3Å; K162-N166 PolarHBondContact O-N 2.94Å; H163-N166 PolarHBondContact O-N 3.35Å; N166-R170 WeakPolarHBondContact O-CB 3.43Å; N166-R170 WeakPolarHBondContact O-CG 3.46Å; N166-R170 PolarHBondContact O-N 3.44Å; N166-R170 PolarHBondContact O-NE 3.07Å
167E94.7Very high87.2Confident37 Ų3757.3 Ų57.317%0.17328%0.284CS..Hα-helixtrans-61.9-47172-165.9-175.6156.200111.4R105 H163 A164 F165 V169 R170 R171R105-E167 IonicContact NH2-OE2 2.78Å; R105-E167 PolarHBondContact NH2-OE2 3.41Å; H163-E167 IonicContact CE1-OE2 3.99Å; H163-E167 IonicContact ND1-OE2 3.11Å; H163-E167 WeakPolarHBondContact O-CB 3.42Å; H163-E167 PolarHBondContact O-N 3.2Å; A164-E167 PolarHBondContact O-N 3.4Å; F165-E167 VanDerWaalsContact C-N 3.29Å; F165-E167 PolarHBondContact O-N 3.09Å; E167-V169 PolarHBondContact O-N 2.98Å; E167-R170 PolarHBondContact O-N 2.88Å; E167-R171 WeakPolarHBondContact O-CG 3.32Å; E167-R171 PolarHBondContact O-N 2.89Å; E167-R171 IonicContact OE1-CZ 2.88Å; E167-R171 IonicContact OE1-NE 2.81Å; E167-R171 IonicContact OE1-NH2 3.59Å; E167-R171 PolarHBondContact OE1-NH2 2.95Å
168G93.2Very high85Confident9 Ų966 Ų669%0.09332%0.316CS..Hα-helixtrans-63-39.8175.500000113.4S112 A164 F165 R171 R172S112-G168 WeakPolarHBondContact OG-CA 3.41Å; A164-G168 PolarHBondContact O-N 3.48Å; F165-G168 PolarHBondContact O-N 2.92Å; F165-G168 VanDerWaalsContact O-N 3.14Å; G168-R171 PolarHBondContact O-N 3.1Å; G168-R172 WeakPolarHBondContact O-CG 3.42Å; G168-R172 PolarHBondContact O-N 3.18Å; G168-R172 VanDerWaalsContact O-N 3.17Å
169V92.4Very high82.6Confident42 Ų4269.2 Ų69.226%0.25534%0.341SS..Hα-helixtrans-61.2-48.3173.3173.60000111.1F165 E167 R171 R172 S173F165-V169 HydrophobicContact CD1-CG2 3.96Å; F165-V169 HydrophobicContact CE1-CG2 3.51Å; F165-V169 HydrophobicContact CZ-CG2 3.82Å; F165-V169 WeakPolarHBondContact O-CG2 3.02Å; F165-V169 PolarHBondContact O-N 2.97Å; E167-V169 PolarHBondContact O-N 2.98Å; V169-R171 VanDerWaalsContact C-N 3.3Å; V169-R171 PolarHBondContact O-N 2.94Å; V169-R172 PolarHBondContact O-N 3.11Å; V169-R172 VanDerWaalsContact O-N 3.17Å; V169-S173 PolarHBondContact O-N 2.54Å; V169-S173 VanDerWaalsContact O-N 3.09Å; V169-S173 PolarHBondContact O-OG 3.14Å
170R92.3Very high79.8Confident149 Ų14974 Ų7456%0.56237%0.365SS*.Hα-helixtrans-57.6-41.8177.6-77.6-176.5-69.3155.3-3.8112.4N166 E167 R172 S173 S174N166-R170 WeakPolarHBondContact O-CB 3.43Å; N166-R170 WeakPolarHBondContact O-CG 3.46Å; N166-R170 PolarHBondContact O-N 3.44Å; N166-R170 PolarHBondContact O-NE 3.07Å; E167-R170 PolarHBondContact O-N 2.88Å; R170-R172 PolarHBondContact O-N 2.67Å; R170-S173 PolarHBondContact O-N 3.33Å; R170-S174 WeakPolarHBondContact O-CB 3.38Å; R170-S174 PolarHBondContact O-N 3.09Å; R170-S174 VanDerWaalsContact O-N 3.07Å
171R87.2Confident77Confident106 Ų10680 Ų8040%0.440%0.402SS..Hα-helixtrans-62.6-39.7177.5-70.7176-173.4-153.82.5112.4E167 G168 V169 L177E167-R171 WeakPolarHBondContact O-CG 3.32Å; E167-R171 PolarHBondContact O-N 2.89Å; E167-R171 IonicContact OE1-CZ 2.88Å; E167-R171 IonicContact OE1-NE 2.81Å; E167-R171 IonicContact OE1-NH2 3.59Å; E167-R171 PolarHBondContact OE1-NH2 2.95Å; G168-R171 PolarHBondContact O-N 3.1Å; V169-R171 VanDerWaalsContact C-N 3.3Å; V169-R171 PolarHBondContact O-N 2.94Å; R171-L177 HydrophobicContact CG-CD1 4.24Å
172R82.7Confident74.4Confident89 Ų8987.6 Ų87.634%0.33643%0.431SS..Hα-helixtrans-71-34.9178.3-67.5-173-51167.62.9113.6S112 Q113 G168 V169 R170 R178S112-R172 PolarHBondContact O-NE 2.98Å; S112-R172 VanDerWaalsContact O-NE 3.16Å; S112-R172 PolarHBondContact O-NH1 3.36Å; S112-R172 PolarHBondContact O-NH2 3.22Å; Q113-R172 PolarHBondContact O-NH1 3.22Å; G168-R172 WeakPolarHBondContact O-CG 3.42Å; G168-R172 PolarHBondContact O-N 3.18Å; G168-R172 VanDerWaalsContact O-N 3.17Å; V169-R172 PolarHBondContact O-N 3.11Å; V169-R172 VanDerWaalsContact O-N 3.17Å; R170-R172 PolarHBondContact O-N 2.67Å; R172-R178 PolarHBondContact O-NH2 2.98Å
173S80.1Confident71.5Confident91 Ų9190.1 Ų90.164%0.63644%0.444SS*.Hα-helixtrans-82.3-18.6-177.6-58.50000113.7V169 R170 P175V169-S173 PolarHBondContact O-N 2.54Å; V169-S173 VanDerWaalsContact O-N 3.09Å; V169-S173 PolarHBondContact O-OG 3.14Å; R170-S173 PolarHBondContact O-N 3.33Å; S173-P175 WeakPolarHBondContact O-CD 3.35Å
174S74.4Confident68.7Low31 Ų3196 Ų9622%0.21747%0.469CS..  trans-88.6117.3177.5179.60000110.8R170 F176 L177R170-S174 WeakPolarHBondContact O-CB 3.38Å; R170-S174 PolarHBondContact O-N 3.09Å; R170-S174 VanDerWaalsContact O-N 3.07Å; S174-F176 PolarHBondContact O-N 2.85Å; S174-F176 PolarHBondContact OG-N 2.87Å; S174-L177 PolarHBondContact O-N 2.81Å; S174-L177 PolarHBondContact OG-N 2.75Å
175P61.8Low65.6Low99 Ų99102.7 Ų102.764%0.64350%0.5SS*.G310 helixtrans-58.5-33.3172.7-20.331.7000112S173S173-P175 WeakPolarHBondContact O-CD 3.35Å
176F58Low62.6Low182 Ų182106.9 Ų106.980%0.79852%0.52SS*.G310 helixtrans-78.3-20.7-176.4-66.8-81.5000114S174S174-F176 PolarHBondContact O-N 2.85Å; S174-F176 PolarHBondContact OG-N 2.87Å
177L54.5Low59.7Low87 Ų87107.7 Ų107.746%0.45554%0.536SS..G310 helixtrans-89.8-8.2177.1-67.2174.2000113.4R171 S174 S179R171-L177 HydrophobicContact CG-CD1 4.24Å; S174-L177 PolarHBondContact O-N 2.81Å; S174-L177 PolarHBondContact OG-N 2.75Å; L177-S179 PolarHBondContact O-N 3.42Å
178R50.1Low57Low187 Ų187113.2 Ų113.271%0.70657%0.565SS**THydrogen-bonded Turntrans-70.8-18174.2-70.6-171.8179.7-169.10.2113R172R172-R178 PolarHBondContact O-NH2 2.98Å
179S44.4Very low54.3Low98 Ų98120.9 Ų120.969%0.68560%0.598SS**THydrogen-bonded Turntrans-90.1-4.9-177-160.20000114.9L177L177-S179 PolarHBondContact O-N 3.42Å
180N37.2Very low51.4Low112 Ų112122 Ų12260%0.59962%0.618SS**  trans-104.478.2169.1-77.1-6.4000108.7Y182N180-Y182 PolarHBondContact O-N 3.43Å
181T38.5Very low48.7Very low125 Ų125122.4 Ų122.477%0.76763%0.626SS**  trans-5597.4158-35.70000106.2H183T181-H183 PolarHBondContact O-N 3.35Å
182Y41.6Very low46.1Very low170 Ų170121.5 Ų121.567%0.66764%0.636SS**  trans-64.598.2164.9-88.4-93.3000105.8N180 F184N180-Y182 PolarHBondContact O-N 3.43Å; Y182-F184 PolarHBondContact O-N 2.58Å
183H34Very low43.8Very low143 Ų143126.4 Ų126.466%0.66266%0.66SS**  trans-41.998.4131.6-96.9-95.4000106.4T181 E185T181-H183 PolarHBondContact O-N 3.35Å; H183-E185 HydrophobicContact CB-CG 4.06Å; H183-E185 IonicContact ND1-OE1 3.59Å; H183-E185 PolarHBondContact O-N 3.3Å
184F37.3Very low41.6Very low180 Ų180126.6 Ų126.679%0.78967%0.667SS**  trans-72.869153.1-159.6-94.2000105Y182 Q186Y182-F184 PolarHBondContact O-N 2.58Å; F184-Q186 VanDerWaalsContact C-N 3.34Å; F184-Q186 PolarHBondContact O-N 2.95Å
185E33.1Very low39.7Very low140 Ų140130.6 Ų130.665%0.65469%0.694SS**  trans-57.8104.8163-94.4173.8174.200105.7H183 A187H183-E185 HydrophobicContact CB-CG 4.06Å; H183-E185 IonicContact ND1-OE1 3.59Å; H183-E185 PolarHBondContact O-N 3.3Å; E185-A187 PolarHBondContact O-N 3.23Å
186Q32.5Very low38.2Very low101 Ų101134.3 Ų134.347%0.47270%0.702SS.*  26.366.1114.9-74.5172.8-5.200115.3F184 H191 S192F184-Q186 VanDerWaalsContact C-N 3.34Å; F184-Q186 PolarHBondContact O-N 2.95Å; Q186-H191 PolarHBondContact NE2-O 2.76Å; Q186-S192 VanDerWaalsContact NE2-N 3.17Å; Q186-S192 PolarHBondContact NE2-OG 3.23Å
187A34Very low37.5Very low83 Ų83131.4 Ų131.469%0.68670%0.7SS**  trans-141.171.814800000103.9E185E185-A187 PolarHBondContact O-N 3.23Å
188I37.5Very low36.6Very low153 Ų153134.1 Ų134.179%0.78572%0.715SS**SBend-165.7110.3113.4-78.6142.6000104.4
189H37.2Very low35.9Very low170 Ų170131 Ų13179%0.78772%0.722SS**SBendtrans82.170.3174.2-56.451.4000118.2H191H189-H191 PolarHBondContact O-N 2.66Å; H189-H191 VanDerWaalsContact O-N 3.07Å
190G30.8Very low35.9Very low65 Ų65132.3 Ų132.367%0.6773%0.728SS**  73.96.7112.600000122.2
191H36.5Very low36Very low159 Ų159131.7 Ų131.774%0.73674%0.739SS**  trans-137.3122.3173.6-77.1-64.4000114.6Q186 H189Q186-H191 PolarHBondContact NE2-O 2.76Å; H189-H191 PolarHBondContact O-N 2.66Å; H189-H191 VanDerWaalsContact O-N 3.07Å
192S31Very low35.8Very low86 Ų86130.5 Ų130.560%0.60174%0.741SS**  trans-101.4118.5179.6-160.10000113Q186Q186-S192 VanDerWaalsContact NE2-N 3.17Å; Q186-S192 PolarHBondContact NE2-OG 3.23Å
193F35.2Very low36Very low193 Ų193128.2 Ų128.285%0.84675%0.747SS**  trans-119.1103162.8-81-83.9000107.6
194A34.1Very low36.1Very low95 Ų95128.9 Ų128.979%0.78575%0.75SS**  trans-72.8129.9164.300000108.5
195C34Very low36.6Very low115 Ų115129.2 Ų129.278%0.77776%0.756SS**  trans-121.7102.4163.1-159.50000107.5
196Q31.2Very low36.9Very low176 Ų176128.1 Ų128.182%0.82276%0.755SS**  trans-73.6130.4163.8-71.3175.3-1500107.7
197T42.1Very low37.4Very low122 Ų122130.5 Ų130.575%0.74877%0.771SS**  trans-136.689.9160.755.10000109
198D36.3Very low37.9Very low143 Ų143132.7 Ų132.777%0.76578%0.776SS**  trans21.5123141.4-56.8-31.6000119.9
199S35.3Very low38.3Very low123 Ų123132.6 Ų132.686%0.8678%0.777SS**  trans-72.9146.2147.5-78.60000110.2
200P43.8Very low38.7Very low125 Ų125133.1 Ų133.181%0.81278%0.78SS**  trans-118.9142.114920-1.8000112.6
201A40Very low39.5Very low99 Ų99134.7 Ų134.782%0.81878%0.78SS**  trans-54.7159.6-179.400000115.8
202A35.3Very low40.2Very low99 Ų99134 Ų13482%0.81878%0.782SS**  trans-64.7159.5167.800000112.7
203P44.9Very low41.2Very low123 Ų123137 Ų13780%0.79979%0.791SS**  trans-114.7125.4152.126.8-10.9000111.9
204H35.7Very low42Very low156 Ų156132.6 Ų132.672%0.72279%0.79SS**  trans-69.8133.4158.7-154.8-71.9000107.9D206H204-D206 IonicContact CE1-OD1 3.3Å; H204-D206 PolarHBondContact CE1-OD1 2.71Å; H204-D206 VanDerWaalsContact CE1-OD1 3.31Å; H204-D206 IonicContact CE1-OD2 3.22Å; H204-D206 IonicContact ND1-OD1 3.55Å; H204-D206 IonicContact ND1-OD2 2.86Å
205M48.6Very low43Very low187 Ų187141.1 Ų141.192%0.92181%0.814SS**  trans-137.3115.3162.2-88.6-159.6161.500109.6
206D39.6Very low43.5Very low117 Ų117142.5 Ų142.563%0.62682%0.816SS**  trans-81155.6171.2-69.7-52.3000111.7H204H204-D206 IonicContact CE1-OD1 3.3Å; H204-D206 PolarHBondContact CE1-OD1 2.71Å; H204-D206 VanDerWaalsContact CE1-OD1 3.31Å; H204-D206 IonicContact CE1-OD2 3.22Å; H204-D206 IonicContact ND1-OD1 3.55Å; H204-D206 IonicContact ND1-OD2 2.86Å
207N41.8Very low44.2Very low151 Ų151140.7 Ų140.781%0.80782%0.816SS**  trans66.2128.2153.8-65.7-26.5000118.8
208V45.6Very low44.3Very low130 Ų130141.7 Ų141.779%0.78882%0.82SS**  -173.5122.595.61620000108.7
209D45.3Very low44.7Very low151 Ų151141.6 Ų141.681%0.80782%0.823SS**  trans-55.9141.9164.4-84-48000112
210Q46.9Very low45.3Very low181 Ų181142.8 Ų142.885%0.84682%0.82SS**  trans-153.798.7148-110.7170.939.900110.4
211S46Very low45.4Very low97 Ų97144 Ų14468%0.67882%0.821SS**  trans-67140.1153.750.10000110.8
212N51.1Low45.8Very low146 Ų146147.2 Ų147.278%0.78182%0.821SS**  trans-159.996.6150.9-90.9-19.5000104.4
213D52Low46.6Very low148 Ų148150.9 Ų150.979%0.79182%0.821SS**  69.9119.385.2-78.4-19.7000114.9
214A53.3Low46.8Very low100 Ų100153.3 Ų153.383%0.82682%0.823SS**  trans61.2102.2143.900000120.1
215E55.4Low47.8Very low275 Ų275153 Ų153100%1.28583%0.833SS**  -165.7089.8-120.2-179.5156.700110.5

Retrieved 215 of 215 residues in 605.6 ms (Link to these results)

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