A0A077B742_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A077B742, Species HUMAN (Homo sapiens, Human), Gene HLA-DPB1, Length 87 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
1N85.8Confident96.8Very high213 Ų213105.2 Ų105.2100%1.13950%0.498SS*.  0136.10-71.5-4.8000109.3
2Y94.3Very high96.7Very high176 Ų176100.2 Ų100.269%0.6949%0.488SS*.  trans-111.1153169.568.4-86.8000108.9Y25 N26Y2-Y25 WeakPolarHBondContact CB-OH 3.45Å; Y2-Y25 HydrophobicContact CD2-CE2 4.05Å; Y2-Y25 HydrophobicContact CG-CE2 4.46Å; Y2-N26 WeakPolarHBondContact CA-OD1 3.49Å
3V98.1Very high96.5Very high76 Ų76103.5 Ų103.546%0.46150%0.499SS..  trans-130.6139.1176.5-178.60000108.5Q5 N26V3-Q5 HydrophobicContact CG1-CG 3.77Å; V3-N26 PolarHBondContact N-OD1 3.35Å; V3-N26 PolarHBondContact O-N 2.84Å
4H97.8Very high96.3Very high105 Ų105105.9 Ų105.949%0.48652%0.515SS..EExtended strand (participates in β ladder)trans-120.5135.9169.4-168.4-82.1000108.6I24 F30H4-I24 CarbonylContact C-O 3.53Å; H4-I24 WeakPolarHBondContact CA-O 3.43Å; H4-F30 AromaticContact NE2-CE1 3.58Å; H4-F30 AromaticContact NE2-CZ 3.64Å
5Q98.6Very high95.9Very high61 Ų61103 Ų10329%0.28552%0.524SS..EExtended strand (participates in β ladder)trans-132.8143.3-176.7-45.7175.9-104.600110V3 I24 N26V3-Q5 HydrophobicContact CG1-CG 3.77Å; Q5-I24 HydrophobicContact CB-CB 4.19Å; Q5-I24 PolarHBondContact N-O 3.32Å; Q5-I24 PolarHBondContact O-N 2.91Å; Q5-N26 PolarHBondContact OE1-O 3.3Å
6L98.3Very high96Very high82 Ų82101.9 Ų101.943%0.42952%0.524SS..EExtended strand (participates in β ladder)trans-114.7132.8168.2178.966.5000107.6Q8 E21 R22 Y23L6-Q8 HydrophobicContact CD2-CG 4.41Å; L6-Q8 HydrophobicContact CG-CG 4.35Å; L6-E21 HydrophobicContact CD1-CG 3.67Å; L6-R22 WeakPolarHBondContact CA-O 3.45Å; L6-Y23 HydrophobicContact CD1-CD1 4.08Å; L6-Y23 HydrophobicContact CD1-CD2 4.27Å; L6-Y23 HydrophobicContact CD1-CE1 3.81Å; L6-Y23 HydrophobicContact CD1-CE2 3.99Å; L6-Y23 HydrophobicContact CD1-CG 4.31Å
7R98.6Very high96.1Very high124 Ų12497.2 Ų97.247%0.46850%0.5SS..EExtended strand (participates in β ladder)trans-118.8125.1170.2-60.6-64.8-173.11762.4108.9E9 E21 R22 I24R7-E9 HydrophobicContact CB-CG 4.18Å; R7-E21 CarbonylContact O-C 3.6Å; R7-E21 VanDerWaalsContact O-CA 3.28Å; R7-E21 WeakPolarHBondContact O-CA 3.18Å; R7-R22 HydrophobicContact CB-CB 4.2Å; R7-R22 PolarHBondContact N-O 3.25Å; R7-R22 PolarHBondContact O-N 3.33Å; R7-I24 HydrophobicContact CG-CD1 3.9Å
8Q98.5Very high96.2Very high104 Ų10496.7 Ų96.749%0.48649%0.49SS..EExtended strand (participates in β ladder)trans-114.1103172.3-71.5179.6-45.500107.1L6 F19 E21L6-Q8 HydrophobicContact CD2-CG 4.41Å; L6-Q8 HydrophobicContact CG-CG 4.35Å; Q8-F19 HydrophobicContact CB-CE2 4.01Å; Q8-F19 HydrophobicContact CB-CZ 4.48Å; Q8-F19 HydrophobicContact CG-CE2 4.31Å; Q8-F19 HydrophobicContact CG-CZ 4.28Å; Q8-E21 HydrophobicContact CG-CG 4.13Å; Q8-E21 PolarHBondContact NE2-OE2 3.4Å
9E98.6Very high96.4Very high50 Ų5091.7 Ų91.723%0.23447%0.465CS..EExtended strand (participates in β ladder)trans-111.9130.9-170.2-60.4171.216100109.1R7 Y11 F19 L20 R22R7-E9 HydrophobicContact CB-CG 4.18Å; E9-Y11 HydrophobicContact CB-CD2 4.35Å; E9-Y11 HydrophobicContact CB-CE2 3.59Å; E9-Y11 PolarHBondContact OE2-OH 3.01Å; E9-Y11 VanDerWaalsContact OE2-OH 3.08Å; E9-F19 WeakPolarHBondContact O-CA 3.13Å; E9-F19 WeakPolarHBondContact O-CD2 3.45Å; E9-L20 HydrophobicContact CB-CB 4.13Å; E9-L20 PolarHBondContact N-O 2.82Å; E9-L20 PolarHBondContact O-N 2.64Å; E9-R22 IonicContact OE1-NE 3.06Å; E9-R22 IonicContact OE2-CZ 3.08Å; E9-R22 VanDerWaalsContact OE2-CZ 3.24Å; E9-R22 IonicContact OE2-NE 3.64Å; E9-R22 PolarHBondContact OE2-NE 2.82Å; E9-R22 IonicContact OE2-NH2 3.24Å; E9-R22 PolarHBondContact OE2-NH2 2.95Å
10C98.3Very high96.5Very high54 Ų5487.4 Ų87.437%0.36544%0.443SS..EExtended strand (participates in β ladder)trans-115122.6173.3-64.20000108.7R18 M71 C72C10-R18 CarbonylContact C-O 3.59Å; C10-R18 WeakPolarHBondContact CA-O 3.33Å; C10-M71 VanDerWaalsContact SG-CE 3.54Å; C10-C72 HydrophobicContact CB-CB 3.57Å; C10-C72 WeakPolarHBondContact CB-SG 3.17Å; C10-C72 WeakPolarHBondContact SG-CA 3.43Å; C10-C72 WeakPolarHBondContact SG-CB 3.22Å; C10-C72 CovalentContact SG-SG 2.04Å; C10-C72 PolarHBondContact SG-SG 2.81Å
11Y97.6Very high96.6Very high112 Ų11283.3 Ų83.344%0.43942%0.422SS..EExtended strand (participates in β ladder)trans-108.7109.8176.8-62.8-93000108.9E9 R18 L20E9-Y11 HydrophobicContact CB-CD2 4.35Å; E9-Y11 HydrophobicContact CB-CE2 3.59Å; E9-Y11 PolarHBondContact OE2-OH 3.01Å; E9-Y11 VanDerWaalsContact OE2-OH 3.08Å; Y11-R18 PolarHBondContact N-O 2.88Å; Y11-R18 PolarHBondContact O-N 2.76Å; Y11-L20 HydrophobicContact CD2-CD1 3.79Å; Y11-L20 HydrophobicContact CE2-CB 4.28Å; Y11-L20 HydrophobicContact CE2-CD1 3.31Å; Y11-L20 HydrophobicContact CE2-CG 4.36Å
12A96.1Very high97.2Very high45 Ų4575.4 Ų75.437%0.37238%0.376SS..EExtended strand (participates in β ladder)trans-91.9124.8175.200000110T16 Y76A12-T16 WeakPolarHBondContact CA-O 3.35Å; A12-Y76 HydrophobicContact CB-CD2 3.43Å; A12-Y76 VanDerWaalsContact CB-CD2 3.43Å; A12-Y76 HydrophobicContact CB-CE2 3.58Å; A12-Y76 HydrophobicContact CB-CG 4.14Å
13F94.3Very high97.4Very high143 Ų14368.9 Ų68.963%0.62735%0.351SS*.EExtended strand (participates in β ladder)trans-152.2129.3176.9-178.8-110.1000111.3G15 T16F13-G15 PolarHBondContact O-N 2.99Å; F13-G15 VanDerWaalsContact O-N 3.14Å; F13-T16 PolarHBondContact N-O 3.17Å; F13-T16 PolarHBondContact O-N 3.47Å; F13-T16 PolarHBondContact O-OG1 2.83Å
14N93.5Very high97.5Very high137 Ų13766.3 Ų66.373%0.73333%0.334SS*.THydrogen-bonded Turntrans46.744177.3-68.4-10.6000114T16N14-T16 VanDerWaalsContact C-N 3.26Å; N14-T16 PolarHBondContact O-N 2.76Å
15G90.8Very high97.5Very high63 Ų6365.8 Ų65.865%0.64933%0.329SS*.THydrogen-bonded Turntrans78.11.1179.500000115.6F13F13-G15 PolarHBondContact O-N 2.99Å; F13-G15 VanDerWaalsContact O-N 3.14Å
16T96.4Very high97.4Very high85 Ų8565.9 Ų65.952%0.52133%0.331SS..EExtended strand (participates in β ladder)trans-103.3157.9175.567.70000111.6A12 F13 N14A12-T16 WeakPolarHBondContact CA-O 3.35Å; F13-T16 PolarHBondContact N-O 3.17Å; F13-T16 PolarHBondContact O-N 3.47Å; F13-T16 PolarHBondContact O-OG1 2.83Å; N14-T16 VanDerWaalsContact C-N 3.26Å; N14-T16 PolarHBondContact O-N 2.76Å
17Q98.1Very high97.3Very high23 Ų2373.4 Ų73.411%0.10735%0.354CS..EExtended strand (participates in β ladder)trans-123.3131.5175.8-63.7-66-29.600108.6P68 C72 R73Q17-P68 HydrophobicContact CB-CB 4.03Å; Q17-C72 HydrophobicContact CB-CB 4.11Å; Q17-C72 HydrophobicContact CG-CB 4.27Å; Q17-R73 HydrophobicContact CG-CB 4.12Å
18R98.4Very high97.3Very high88 Ų8872 Ų7233%0.33235%0.352SS..EExtended strand (participates in β ladder)trans-116.1132.8168.4177.4-176178.3179.5-2.3109.6C10 Y11 D34 S35 D36C10-R18 CarbonylContact C-O 3.59Å; C10-R18 WeakPolarHBondContact CA-O 3.33Å; Y11-R18 PolarHBondContact N-O 2.88Å; Y11-R18 PolarHBondContact O-N 2.76Å; R18-D34 IonicContact CZ-OD1 3.58Å; R18-D34 IonicContact CZ-OD2 3.52Å; R18-D34 IonicContact NE-OD1 2.94Å; R18-D34 PolarHBondContact NE-OD1 2.78Å; R18-D34 IonicContact NE-OD2 3.63Å; R18-D34 IonicContact NH2-OD1 3.47Å; R18-D34 PolarHBondContact NH2-OD1 3.14Å; R18-D34 IonicContact NH2-OD2 2.64Å; R18-D34 PolarHBondContact NH2-OD2 3.4Å; R18-S35 WeakPolarHBondContact CA-OG 3.33Å; R18-S35 WeakPolarHBondContact CG-OG 3.32Å; R18-D36 WeakPolarHBondContact CD-OD2 3.33Å; R18-D36 IonicContact CZ-OD2 3.36Å; R18-D36 IonicContact NE-OD2 3.2Å; R18-D36 PolarHBondContact NE-OD2 3.22Å; R18-D36 IonicContact NH1-OD2 3.45Å; R18-D36 PolarHBondContact NH1-OD2 3.39Å
19F98.8Very high97.3Very high1 Ų168.6 Ų68.60%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-109.1133.5179176.1-116.2000111.2Q8 E9 E21 F33 S35 K64 V67 P68 M71Q8-F19 HydrophobicContact CB-CE2 4.01Å; Q8-F19 HydrophobicContact CB-CZ 4.48Å; Q8-F19 HydrophobicContact CG-CE2 4.31Å; Q8-F19 HydrophobicContact CG-CZ 4.28Å; E9-F19 WeakPolarHBondContact O-CA 3.13Å; E9-F19 WeakPolarHBondContact O-CD2 3.45Å; F19-E21 HydrophobicContact CE1-CB 3.82Å; F19-E21 HydrophobicContact CZ-CB 3.68Å; F19-E21 HydrophobicContact CZ-CG 4.27Å; F19-F33 AromaticContact CD1-CD1 3.89Å; F19-F33 HydrophobicContact CD1-CD1 3.89Å; F19-F33 HydrophobicContact CD1-CE1 4.05Å; F19-F33 HydrophobicContact CE1-CD1 4.12Å; F19-S35 PolarHBondContact N-OG 3.21Å; F19-S35 PolarHBondContact O-N 3.38Å; F19-S35 PolarHBondContact O-OG 3.4Å; F19-K64 HydrophobicContact CE1-CD 4.23Å; F19-V67 HydrophobicContact CB-CB 4.35Å; F19-V67 HydrophobicContact CB-CG1 4.15Å; F19-V67 HydrophobicContact CD1-CB 3.63Å; F19-V67 HydrophobicContact CD1-CG1 3.66Å; F19-V67 HydrophobicContact CD1-CG2 4.14Å; F19-V67 HydrophobicContact CD2-CB 4.34Å; F19-V67 HydrophobicContact CD2-CG1 3.46Å; F19-V67 VanDerWaalsContact CD2-CG1 3.46Å; F19-V67 HydrophobicContact CE1-CB 3.93Å; F19-V67 HydrophobicContact CE1-CG1 3.83Å; F19-V67 HydrophobicContact CE1-CG2 3.96Å; F19-V67 HydrophobicContact CE2-CG1 3.65Å; F19-V67 HydrophobicContact CG-CB 3.85Å; F19-V67 HydrophobicContact CG-CG1 3.46Å; F19-V67 VanDerWaalsContact CG-CG1 3.46Å; F19-V67 HydrophobicContact CZ-CB 4.41Å; F19-V67 HydrophobicContact CZ-CG1 3.82Å; F19-V67 HydrophobicContact CZ-CG2 4.42Å; F19-P68 HydrophobicContact CB-CG 3.79Å; F19-M71 HydrophobicContact CD2-CE 4.34Å; F19-M71 HydrophobicContact CE2-CE 4.05Å
20L98.8Very high97.3Very high6 Ų667 Ų673%0.03133%0.329CS..EExtended strand (participates in β ladder)trans-127.1122.9175.3-85.8150.9000109E9 Y11 R32 F33 D34E9-L20 HydrophobicContact CB-CB 4.13Å; E9-L20 PolarHBondContact N-O 2.82Å; E9-L20 PolarHBondContact O-N 2.64Å; Y11-L20 HydrophobicContact CD2-CD1 3.79Å; Y11-L20 HydrophobicContact CE2-CB 4.28Å; Y11-L20 HydrophobicContact CE2-CD1 3.31Å; Y11-L20 HydrophobicContact CE2-CG 4.36Å; L20-R32 HydrophobicContact CD2-CG 3.9Å; L20-F33 WeakPolarHBondContact CA-O 3.47Å; L20-D34 HydrophobicContact CD2-CB 3.92Å
21E98.8Very high97.4Very high1 Ų164.5 Ų64.51%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-113.3116.8170.7-166.1166.372.100109.4L6 R7 Q8 F19 Y23 R32 F33 K64L6-E21 HydrophobicContact CD1-CG 3.67Å; R7-E21 CarbonylContact O-C 3.6Å; R7-E21 VanDerWaalsContact O-CA 3.28Å; R7-E21 WeakPolarHBondContact O-CA 3.18Å; Q8-E21 HydrophobicContact CG-CG 4.13Å; Q8-E21 PolarHBondContact NE2-OE2 3.4Å; F19-E21 HydrophobicContact CE1-CB 3.82Å; F19-E21 HydrophobicContact CZ-CB 3.68Å; F19-E21 HydrophobicContact CZ-CG 4.27Å; E21-Y23 HydrophobicContact CG-CE2 3.85Å; E21-Y23 PolarHBondContact OE1-OH 2.77Å; E21-R32 CarbonylContact O-C 3.59Å; E21-R32 WeakPolarHBondContact O-CA 3.46Å; E21-F33 HydrophobicContact CB-CB 4.2Å; E21-F33 PolarHBondContact N-O 2.85Å; E21-F33 PolarHBondContact O-N 3.16Å; E21-K64 WeakPolarHBondContact OE1-CE 3.43Å; E21-K64 IonicContact OE1-NZ 2.71Å; E21-K64 PolarHBondContact OE1-NZ 2.98Å; E21-K64 IonicContact OE2-NZ 2.73Å; E21-K64 PolarHBondContact OE2-NZ 3.1Å
22R98.8Very high97.4Very high47 Ų4762.4 Ų62.418%0.17730%0.303CS..EExtended strand (participates in β ladder)trans-118.4132.1-174.8-50.4176.3-170.1-1238.1111.2L6 R7 E9 I24 E29 R32L6-R22 WeakPolarHBondContact CA-O 3.45Å; R7-R22 HydrophobicContact CB-CB 4.2Å; R7-R22 PolarHBondContact N-O 3.25Å; R7-R22 PolarHBondContact O-N 3.33Å; E9-R22 IonicContact OE1-NE 3.06Å; E9-R22 IonicContact OE2-CZ 3.08Å; E9-R22 VanDerWaalsContact OE2-CZ 3.24Å; E9-R22 IonicContact OE2-NE 3.64Å; E9-R22 PolarHBondContact OE2-NE 2.82Å; E9-R22 IonicContact OE2-NH2 3.24Å; E9-R22 PolarHBondContact OE2-NH2 2.95Å; R22-I24 HydrophobicContact CB-CD1 4.42Å; R22-I24 HydrophobicContact CB-CG1 4.34Å; R22-E29 HydrophobicContact CB-CG 4.17Å; R22-E29 WeakPolarHBondContact CD-OE2 3.5Å; R22-E29 IonicContact NH1-OE2 2.88Å; R22-E29 PolarHBondContact NH1-OE2 2.62Å; R22-R32 HydrophobicContact CG-CG 4.42Å
23Y98.8Very high97.6Very high40 Ų4060.2 Ų60.216%0.15729%0.286CS..EExtended strand (participates in β ladder)trans-107.1124174.3-64.5-103.6000109L6 E21 E29 F30 V31 F40L6-Y23 HydrophobicContact CD1-CD1 4.08Å; L6-Y23 HydrophobicContact CD1-CD2 4.27Å; L6-Y23 HydrophobicContact CD1-CE1 3.81Å; L6-Y23 HydrophobicContact CD1-CE2 3.99Å; L6-Y23 HydrophobicContact CD1-CG 4.31Å; E21-Y23 HydrophobicContact CG-CE2 3.85Å; E21-Y23 PolarHBondContact OE1-OH 2.77Å; Y23-E29 WeakPolarHBondContact O-CA 3.36Å; Y23-F30 HydrophobicContact CG-CZ 4.46Å; Y23-F30 VanDerWaalsContact O-CD1 3.25Å; Y23-F30 WeakPolarHBondContact O-CD1 3.49Å; Y23-F30 PolarHBondContact O-N 2.64Å; Y23-V31 HydrophobicContact CD2-CG1 3.83Å; Y23-V31 HydrophobicContact CG-CG1 3.9Å; Y23-V31 PolarHBondContact N-O 3.45Å; Y23-F40 HydrophobicContact CE2-CE1 4.03Å
24I98.8Very high97.8Very high22 Ų2254 Ų5411%0.11326%0.259CS..EExtended strand (participates in β ladder)trans-130.6122.1-168-52.2170.2000109.2H4 Q5 R7 R22 E28 E29H4-I24 CarbonylContact C-O 3.53Å; H4-I24 WeakPolarHBondContact CA-O 3.43Å; Q5-I24 HydrophobicContact CB-CB 4.19Å; Q5-I24 PolarHBondContact N-O 3.32Å; Q5-I24 PolarHBondContact O-N 2.91Å; R7-I24 HydrophobicContact CG-CD1 3.9Å; R22-I24 HydrophobicContact CB-CD1 4.42Å; R22-I24 HydrophobicContact CB-CG1 4.34Å; I24-E28 CarbonylContact C-O 3.51Å; I24-E28 WeakPolarHBondContact CA-O 3.45Å; I24-E29 HydrophobicContact CG1-CB 4.11Å; I24-E29 HydrophobicContact CG1-CG 4.17Å
25Y98.3Very high98Very high94 Ų9448.9 Ų48.937%0.36923%0.234SC..EExtended strand (participates in β ladder)trans-103.9118.4172.6-173.5-106.3000109.6Y2 R27 E28Y2-Y25 WeakPolarHBondContact CB-OH 3.45Å; Y2-Y25 HydrophobicContact CD2-CE2 4.05Å; Y2-Y25 HydrophobicContact CG-CE2 4.46Å; Y25-R27 VanDerWaalsContact C-N 3.35Å; Y25-R27 PolarHBondContact O-N 3.15Å; Y25-E28 PolarHBondContact N-O 3.11Å; Y25-E28 PolarHBondContact O-N 3.01Å
26N97.1Very high98.4Very high63 Ų6351.1 Ų51.134%0.33723%0.231SC..THydrogen-bonded Turntrans55.8-86.3-167.3-59.3-49.6000112.7Y2 V3 Q5Y2-N26 WeakPolarHBondContact CA-OD1 3.49Å; V3-N26 PolarHBondContact N-OD1 3.35Å; V3-N26 PolarHBondContact O-N 2.84Å; Q5-N26 PolarHBondContact OE1-O 3.3Å
27R96.9Very high98.5Very high239 Ų23950.8 Ų50.890%0.90223%0.229SC*.THydrogen-bonded Turntrans-134.64.4175.8-62.5-177.367-178.60.4112.1Y25Y25-R27 VanDerWaalsContact C-N 3.35Å; Y25-R27 PolarHBondContact O-N 3.15Å
28E98.3Very high98.5Very high94 Ų9450.2 Ų50.244%0.43923%0.228SC..EExtended strand (participates in β ladder)trans-98.2109-179.4-172.2179.7153.400108.4I24 Y25 F30 T44I24-E28 CarbonylContact C-O 3.51Å; I24-E28 WeakPolarHBondContact CA-O 3.45Å; Y25-E28 PolarHBondContact N-O 3.11Å; Y25-E28 PolarHBondContact O-N 3.01Å; E28-F30 PolarHBondContact O-N 3.47Å; E28-T44 HydrophobicContact CG-CG2 3.75Å; E28-T44 WeakPolarHBondContact OE1-CB 3.28Å; E28-T44 VanDerWaalsContact OE1-CG2 3.28Å; E28-T44 WeakPolarHBondContact OE1-CG2 3.16Å; E28-T44 PolarHBondContact OE1-OG1 3.35Å
29E98.8Very high98.5Very high33 Ų3348.5 Ų48.515%0.15422%0.224CC..EExtended strand (participates in β ladder)trans-69.6118.9167.1-172.3-172.1141.200108R22 Y23 I24 R32 V43R22-E29 HydrophobicContact CB-CG 4.17Å; R22-E29 WeakPolarHBondContact CD-OE2 3.5Å; R22-E29 IonicContact NH1-OE2 2.88Å; R22-E29 PolarHBondContact NH1-OE2 2.62Å; Y23-E29 WeakPolarHBondContact O-CA 3.36Å; I24-E29 HydrophobicContact CG1-CB 4.11Å; I24-E29 HydrophobicContact CG1-CG 4.17Å; E29-R32 WeakPolarHBondContact OE1-CB 3.5Å; E29-R32 IonicContact OE1-CZ 3.09Å; E29-R32 IonicContact OE1-NE 2.62Å; E29-R32 PolarHBondContact OE1-NE 3.2Å; E29-R32 IonicContact OE1-NH2 2.82Å; E29-R32 PolarHBondContact OE1-NH2 2.94Å; E29-R32 IonicContact OE2-NH2 3.74Å; E29-V43 HydrophobicContact CB-CG1 4.43Å; E29-V43 HydrophobicContact CG-CG2 4.21Å; E29-V43 WeakPolarHBondContact O-CB 3.41Å; E29-V43 WeakPolarHBondContact O-CG1 3.36Å; E29-V43 WeakPolarHBondContact OE1-CG2 3.47Å
30F98.8Very high98.5Very high17 Ų1748.5 Ų48.58%0.07522%0.224CC..EExtended strand (participates in β ladder)trans-108.1-30.9-172.565.5-89.6000113.3H4 Y23 E28 A42 V43 T44 L46 G47 D50H4-F30 AromaticContact NE2-CE1 3.58Å; H4-F30 AromaticContact NE2-CZ 3.64Å; Y23-F30 HydrophobicContact CG-CZ 4.46Å; Y23-F30 VanDerWaalsContact O-CD1 3.25Å; Y23-F30 WeakPolarHBondContact O-CD1 3.49Å; Y23-F30 PolarHBondContact O-N 2.64Å; E28-F30 PolarHBondContact O-N 3.47Å; F30-A42 WeakPolarHBondContact O-CA 3.25Å; F30-V43 PolarHBondContact O-N 3.24Å; F30-T44 PolarHBondContact O-N 2.93Å; F30-L46 HydrophobicContact CB-CB 4.02Å; F30-L46 HydrophobicContact CB-CD2 3.98Å; F30-L46 HydrophobicContact CB-CG 4.18Å; F30-L46 HydrophobicContact CD1-CD2 4.39Å; F30-L46 HydrophobicContact CD2-CG 4.46Å; F30-L46 HydrophobicContact CG-CD2 4.1Å; F30-L46 HydrophobicContact CG-CG 4.37Å; F30-G47 WeakPolarHBondContact O-CA 3.26Å; F30-D50 WeakPolarHBondContact CE2-OD2 3.49Å
31V98.9Very high98.5Very high2 Ų253.9 Ų53.91%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-145.4147.8173.468.30000110.6Y23 F40 R41 D50Y23-V31 HydrophobicContact CD2-CG1 3.83Å; Y23-V31 HydrophobicContact CG-CG1 3.9Å; Y23-V31 PolarHBondContact N-O 3.45Å; V31-F40 HydrophobicContact CG2-CB 4.18Å; V31-F40 HydrophobicContact CG2-CD1 4.3Å; V31-R41 WeakPolarHBondContact CA-O 3.13Å; V31-D50 HydrophobicContact CB-CB 4.31Å; V31-D50 HydrophobicContact CG1-CB 4.06Å; V31-D50 HydrophobicContact CG2-CB 4.2Å
32R98.9Very high98.5Very high67 Ų6755.1 Ų55.125%0.25326%0.255SS..EExtended strand (participates in β ladder)trans-143.2140.5-179.5162.2175.515.3159.6-11.6112.2L20 E21 R22 E29 F40 R41 V43L20-R32 HydrophobicContact CD2-CG 3.9Å; E21-R32 CarbonylContact O-C 3.59Å; E21-R32 WeakPolarHBondContact O-CA 3.46Å; R22-R32 HydrophobicContact CG-CG 4.42Å; E29-R32 WeakPolarHBondContact OE1-CB 3.5Å; E29-R32 IonicContact OE1-CZ 3.09Å; E29-R32 IonicContact OE1-NE 2.62Å; E29-R32 PolarHBondContact OE1-NE 3.2Å; E29-R32 IonicContact OE1-NH2 2.82Å; E29-R32 PolarHBondContact OE1-NH2 2.94Å; E29-R32 IonicContact OE2-NH2 3.74Å; R32-F40 CarbonylContact O-C 3.56Å; R32-F40 VanDerWaalsContact O-CA 3.26Å; R32-F40 WeakPolarHBondContact O-CA 3.41Å; R32-R41 PolarHBondContact N-O 2.89Å; R32-R41 PolarHBondContact O-N 3.45Å; R32-V43 HydrophobicContact CB-CG2 4.07Å
33F98.9Very high98.5Very high0 Ų056 Ų560%027%0.265CS..EExtended strand (participates in β ladder)trans-95.2136.7157.8-179.3-88000109.9F19 L20 E21 F40 L61 K64 R65F19-F33 AromaticContact CD1-CD1 3.89Å; F19-F33 HydrophobicContact CD1-CD1 3.89Å; F19-F33 HydrophobicContact CD1-CE1 4.05Å; F19-F33 HydrophobicContact CE1-CD1 4.12Å; L20-F33 WeakPolarHBondContact CA-O 3.47Å; E21-F33 HydrophobicContact CB-CB 4.2Å; E21-F33 PolarHBondContact N-O 2.85Å; E21-F33 PolarHBondContact O-N 3.16Å; F33-F40 HydrophobicContact CB-CD1 3.8Å; F33-F40 HydrophobicContact CB-CD2 4.45Å; F33-F40 HydrophobicContact CB-CE1 3.68Å; F33-F40 HydrophobicContact CB-CE2 4.34Å; F33-F40 HydrophobicContact CB-CG 4.19Å; F33-F40 HydrophobicContact CB-CZ 3.97Å; F33-F40 AromaticContact CD2-CD2 3.97Å; F33-F40 HydrophobicContact CD2-CD2 3.97Å; F33-F40 AromaticContact CD2-CE2 3.93Å; F33-F40 HydrophobicContact CD2-CE2 3.93Å; F33-F40 HydrophobicContact CD2-CG 4.4Å; F33-F40 HydrophobicContact CD2-CZ 4.34Å; F33-F40 HydrophobicContact CG-CZ 4.48Å; F33-L61 HydrophobicContact CE2-CD2 4.21Å; F33-K64 HydrophobicContact CD1-CB 3.93Å; F33-K64 HydrophobicContact CD2-CB 3.8Å; F33-K64 HydrophobicContact CD2-CG 4.38Å; F33-K64 HydrophobicContact CE1-CB 3.7Å; F33-K64 WeakPolarHBondContact CE1-O 3.5Å; F33-K64 HydrophobicContact CE2-CB 3.55Å; F33-K64 HydrophobicContact CG-CB 3.99Å; F33-K64 HydrophobicContact CG-CG 4.47Å; F33-K64 HydrophobicContact CZ-CB 3.51Å; F33-R65 HydrophobicContact CE2-CG 4.45Å; F33-R65 HydrophobicContact CZ-CG 3.99Å
34D98.8Very high98.5Very high13 Ų1356 Ų567%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-130.2123174.5-169.7-23.9000108.8R18 L20 D36 V37 G38R18-D34 IonicContact CZ-OD1 3.58Å; R18-D34 IonicContact CZ-OD2 3.52Å; R18-D34 IonicContact NE-OD1 2.94Å; R18-D34 PolarHBondContact NE-OD1 2.78Å; R18-D34 IonicContact NE-OD2 3.63Å; R18-D34 IonicContact NH2-OD1 3.47Å; R18-D34 PolarHBondContact NH2-OD1 3.14Å; R18-D34 IonicContact NH2-OD2 2.64Å; R18-D34 PolarHBondContact NH2-OD2 3.4Å; L20-D34 HydrophobicContact CD2-CB 3.92Å; D34-D36 PolarHBondContact O-N 2.65Å; D34-D36 PolarHBondContact OD1-N 3.05Å; D34-D36 VanDerWaalsContact OD1-N 3.16Å; D34-V37 HydrophobicContact CB-CB 4.26Å; D34-V37 HydrophobicContact CB-CG2 3.94Å; D34-V37 CarbonylContact O-C 3.59Å; D34-V37 PolarHBondContact O-N 3.11Å; D34-G38 PolarHBondContact O-N 3.47Å
35S98.6Very high98.5Very high28 Ų2862 Ų6220%0.19630%0.297CS..THydrogen-bonded Turntrans-62.5-26.2-177.362.30000113.5R18 F19 V37R18-S35 WeakPolarHBondContact CA-OG 3.33Å; R18-S35 WeakPolarHBondContact CG-OG 3.32Å; F19-S35 PolarHBondContact N-OG 3.21Å; F19-S35 PolarHBondContact O-N 3.38Å; F19-S35 PolarHBondContact O-OG 3.4Å; S35-V37 VanDerWaalsContact C-N 3.25Å; S35-V37 PolarHBondContact O-N 3.27Å
36D98.2Very high98.5Very high110 Ų11062 Ų6259%0.58830%0.303SS*.THydrogen-bonded Turntrans-71.1-25.4176.4-70.4-3.5000111.7R18 D34R18-D36 WeakPolarHBondContact CD-OD2 3.33Å; R18-D36 IonicContact CZ-OD2 3.36Å; R18-D36 IonicContact NE-OD2 3.2Å; R18-D36 PolarHBondContact NE-OD2 3.22Å; R18-D36 IonicContact NH1-OD2 3.45Å; R18-D36 PolarHBondContact NH1-OD2 3.39Å; D34-D36 PolarHBondContact O-N 2.65Å; D34-D36 PolarHBondContact OD1-N 3.05Å; D34-D36 VanDerWaalsContact OD1-N 3.16Å
37V98.6Very high98.5Very high79 Ų7959 Ų5948%0.47929%0.287SS..THydrogen-bonded Turntrans-92.7-36.7176.1-172.40000110.6D34 S35 E39 R41D34-V37 HydrophobicContact CB-CB 4.26Å; D34-V37 HydrophobicContact CB-CG2 3.94Å; D34-V37 CarbonylContact O-C 3.59Å; D34-V37 PolarHBondContact O-N 3.11Å; S35-V37 VanDerWaalsContact C-N 3.25Å; S35-V37 PolarHBondContact O-N 3.27Å; V37-E39 HydrophobicContact CG1-CG 3.98Å; V37-R41 HydrophobicContact CG1-CG 4.41Å
38G98.5Very high98.6Very high10 Ų1054.6 Ų54.610%0.10327%0.27CS..THydrogen-bonded Turntrans82.314.5176.700000114.9D34 R65D34-G38 PolarHBondContact O-N 3.47Å; G38-R65 VanDerWaalsContact O-CZ 3.25Å; G38-R65 PolarHBondContact O-NE 3.34Å; G38-R65 PolarHBondContact O-NH2 2.92Å
39E98.8Very high98.7Very high52 Ų5254.2 Ų54.224%0.24328%0.276CS..EExtended strand (participates in β ladder)trans-155.6168.2179.263.4-173-174.200111.5V37 R41 N55 L61V37-E39 HydrophobicContact CG1-CG 3.98Å; E39-R41 IonicContact OE1-CZ 3.06Å; E39-R41 IonicContact OE1-NE 3.01Å; E39-R41 PolarHBondContact OE1-NE 2.89Å; E39-R41 IonicContact OE1-NH2 2.64Å; E39-R41 PolarHBondContact OE1-NH2 3.13Å; E39-N55 WeakPolarHBondContact CB-OD1 3.42Å; E39-L61 HydrophobicContact CB-CD2 4.09Å
40F98.8Very high98.6Very high1 Ų155.1 Ų55.10%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-75.8143.5172.7-68.5-95.9000109.9Y23 V31 R32 F33 E51 W54 N55 I60 L61 K64Y23-F40 HydrophobicContact CE2-CE1 4.03Å; V31-F40 HydrophobicContact CG2-CB 4.18Å; V31-F40 HydrophobicContact CG2-CD1 4.3Å; R32-F40 CarbonylContact O-C 3.56Å; R32-F40 VanDerWaalsContact O-CA 3.26Å; R32-F40 WeakPolarHBondContact O-CA 3.41Å; F33-F40 HydrophobicContact CB-CD1 3.8Å; F33-F40 HydrophobicContact CB-CD2 4.45Å; F33-F40 HydrophobicContact CB-CE1 3.68Å; F33-F40 HydrophobicContact CB-CE2 4.34Å; F33-F40 HydrophobicContact CB-CG 4.19Å; F33-F40 HydrophobicContact CB-CZ 3.97Å; F33-F40 AromaticContact CD2-CD2 3.97Å; F33-F40 HydrophobicContact CD2-CD2 3.97Å; F33-F40 AromaticContact CD2-CE2 3.93Å; F33-F40 HydrophobicContact CD2-CE2 3.93Å; F33-F40 HydrophobicContact CD2-CG 4.4Å; F33-F40 HydrophobicContact CD2-CZ 4.34Å; F33-F40 HydrophobicContact CG-CZ 4.48Å; F40-E51 WeakPolarHBondContact O-CG 3.2Å; F40-W54 HydrophobicContact CB-CB 4.44Å; F40-W54 HydrophobicContact CD1-CB 4.47Å; F40-W54 HydrophobicContact CD2-CB 3.61Å; F40-W54 HydrophobicContact CE2-CB 3.9Å; F40-W54 HydrophobicContact CE2-CE3 4.39Å; F40-W54 HydrophobicContact CG-CB 3.93Å; F40-W54 HydrophobicContact CZ-CB 4.44Å; F40-W54 HydrophobicContact CZ-CE3 4.24Å; F40-N55 WeakPolarHBondContact CB-OD1 3.42Å; F40-N55 PolarHBondContact N-OD1 3.21Å; F40-N55 PolarHBondContact O-ND2 2.68Å; F40-I60 HydrophobicContact CE2-CG2 4.33Å; F40-L61 HydrophobicContact CD2-CD2 4.06Å; F40-L61 HydrophobicContact CE2-CD2 4.35Å; F40-K64 HydrophobicContact CE2-CG 4.13Å; F40-K64 HydrophobicContact CZ-CD 4.45Å; F40-K64 HydrophobicContact CZ-CG 3.97Å
41R98.8Very high98.7Very high119 Ų11955.9 Ų55.945%0.44929%0.285SS..EExtended strand (participates in β ladder)trans-134.3130.4174.3-69.9-60.1-171.2166.7-0.3110V31 R32 V37 E39 V43 E51V31-R41 WeakPolarHBondContact CA-O 3.13Å; R32-R41 PolarHBondContact N-O 2.89Å; R32-R41 PolarHBondContact O-N 3.45Å; V37-R41 HydrophobicContact CG1-CG 4.41Å; E39-R41 IonicContact OE1-CZ 3.06Å; E39-R41 IonicContact OE1-NE 3.01Å; E39-R41 PolarHBondContact OE1-NE 2.89Å; E39-R41 IonicContact OE1-NH2 2.64Å; E39-R41 PolarHBondContact OE1-NH2 3.13Å; R41-V43 PolarHBondContact O-N 3.42Å; R41-E51 WeakPolarHBondContact CD-OE1 3.35Å; R41-E51 IonicContact CZ-OE1 3.6Å; R41-E51 IonicContact NE-OE1 3.73Å; R41-E51 IonicContact NH1-OE1 2.81Å; R41-E51 PolarHBondContact NH1-OE1 3.36Å
42A98.8Very high98.6Very high28 Ų2861.5 Ų61.523%0.23132%0.315CS..EExtended strand (participates in β ladder)trans-64.4127.1169.400000108.8F30 R48 E51F30-A42 WeakPolarHBondContact O-CA 3.25Å; A42-R48 HydrophobicContact CB-CG 4.05Å; A42-E51 HydrophobicContact CB-CB 4.19Å; A42-E51 WeakPolarHBondContact CB-OE2 3.47Å; A42-E51 PolarHBondContact N-OE2 3.45Å
43V98.6Very high98.6Very high64 Ų6464.5 Ų64.539%0.38833%0.327SS..SBendtrans-92-31.8176.6179.10000109.9E29 F30 R32 R41E29-V43 HydrophobicContact CB-CG1 4.43Å; E29-V43 HydrophobicContact CG-CG2 4.21Å; E29-V43 WeakPolarHBondContact O-CB 3.41Å; E29-V43 WeakPolarHBondContact O-CG1 3.36Å; E29-V43 WeakPolarHBondContact OE1-CG2 3.47Å; F30-V43 PolarHBondContact O-N 3.24Å; R32-V43 HydrophobicContact CB-CG2 4.07Å; R41-V43 PolarHBondContact O-N 3.42Å
44T98.6Very high98.6Very high40 Ų4067.7 Ų67.725%0.24534%0.34CS..SBendtrans-131.2171.9171.171.60000110.5E28 F30 L46 G47E28-T44 HydrophobicContact CG-CG2 3.75Å; E28-T44 WeakPolarHBondContact OE1-CB 3.28Å; E28-T44 VanDerWaalsContact OE1-CG2 3.28Å; E28-T44 WeakPolarHBondContact OE1-CG2 3.16Å; E28-T44 PolarHBondContact OE1-OG1 3.35Å; F30-T44 PolarHBondContact O-N 2.93Å; T44-L46 PolarHBondContact O-N 2.7Å; T44-L46 VanDerWaalsContact O-N 3.17Å; T44-G47 PolarHBondContact O-N 3.39Å; T44-G47 VanDerWaalsContact O-N 3.14Å
45E98.2Very high98.6Very high150 Ų15068.2 Ų68.270%0.70134%0.343SS*.G310 helixtrans-58.9-29.2-179.2-62.7-168.3146.700113.2G47 R48E45-G47 PolarHBondContact O-N 3.34Å; E45-R48 PolarHBondContact O-N 2.9Å; E45-R48 IonicContact OE1-NH2 3.59Å
46L98.2Very high98.6Very high93 Ų9370.3 Ų70.349%0.48736%0.357SS..G310 helixtrans-58.8-32.9178.5-177.765.5000112.5F30 T44 P49F30-L46 HydrophobicContact CB-CB 4.02Å; F30-L46 HydrophobicContact CB-CD2 3.98Å; F30-L46 HydrophobicContact CB-CG 4.18Å; F30-L46 HydrophobicContact CD1-CD2 4.39Å; F30-L46 HydrophobicContact CD2-CG 4.46Å; F30-L46 HydrophobicContact CG-CD2 4.1Å; F30-L46 HydrophobicContact CG-CG 4.37Å; T44-L46 PolarHBondContact O-N 2.7Å; T44-L46 VanDerWaalsContact O-N 3.17Å; L46-P49 WeakPolarHBondContact O-CD 3.42Å
47G98.8Very high98.6Very high0 Ų068 Ų680%034%0.343CS..G310 helixtrans-89.9-0.8-175.800000116.1F30 T44 E45 P49 D50 E51F30-G47 WeakPolarHBondContact O-CA 3.26Å; T44-G47 PolarHBondContact O-N 3.39Å; T44-G47 VanDerWaalsContact O-N 3.14Å; E45-G47 PolarHBondContact O-N 3.34Å; G47-P49 VanDerWaalsContact C-CD 3.49Å; G47-D50 WeakPolarHBondContact O-CB 3.48Å; G47-D50 PolarHBondContact O-N 3.03Å; G47-D50 VanDerWaalsContact O-N 3.15Å; G47-E51 PolarHBondContact O-N 3.46Å
48R98.8Very high98.6Very high147 Ų14770.5 Ų70.556%0.55535%0.347SS*.Hα-helixtrans-57.4-43.7179.6-67.4-173.1-170.6-172.810.7113.5A42 E45 D50 E51 D52A42-R48 HydrophobicContact CB-CG 4.05Å; E45-R48 PolarHBondContact O-N 2.9Å; E45-R48 IonicContact OE1-NH2 3.59Å; R48-D50 VanDerWaalsContact C-N 3.25Å; R48-D50 PolarHBondContact O-N 3.14Å; R48-E51 PolarHBondContact O-N 2.94Å; R48-D52 PolarHBondContact O-N 3.2Å; R48-D52 VanDerWaalsContact O-N 3.11Å
49P98.7Very high98.6Very high86 Ų8675.1 Ų75.156%0.55837%0.37SS*.Hα-helixtrans-62.1-35.7177.4-21.634.4000112.4L46 G47 Y53L46-P49 WeakPolarHBondContact O-CD 3.42Å; G47-P49 VanDerWaalsContact C-CD 3.49Å; P49-Y53 VanDerWaalsContact O-CB 3.25Å; P49-Y53 WeakPolarHBondContact O-CB 3.4Å; P49-Y53 PolarHBondContact O-N 3.41Å
50D98.7Very high98.6Very high52 Ų5274 Ų7428%0.27837%0.365SS..Hα-helixtrans-69.9-46.2176.9-65.9-65.3000111.2F30 V31 G47 R48 D52 Y53 W54F30-D50 WeakPolarHBondContact CE2-OD2 3.49Å; V31-D50 HydrophobicContact CB-CB 4.31Å; V31-D50 HydrophobicContact CG1-CB 4.06Å; V31-D50 HydrophobicContact CG2-CB 4.2Å; G47-D50 WeakPolarHBondContact O-CB 3.48Å; G47-D50 PolarHBondContact O-N 3.03Å; G47-D50 VanDerWaalsContact O-N 3.15Å; R48-D50 VanDerWaalsContact C-N 3.25Å; R48-D50 PolarHBondContact O-N 3.14Å; D50-D52 VanDerWaalsContact C-N 3.32Å; D50-D52 PolarHBondContact O-N 3.33Å; D50-Y53 PolarHBondContact O-N 3.14Å; D50-W54 WeakPolarHBondContact O-CB 3.39Å; D50-W54 PolarHBondContact O-N 3.09Å
51E98.8Very high98.5Very high32 Ų3274 Ų7415%0.1537%0.365CS..Hα-helixtrans-51.6-52.1174.5174.1172.1-177.300111.4F40 R41 A42 G47 R48 N55F40-E51 WeakPolarHBondContact O-CG 3.2Å; R41-E51 WeakPolarHBondContact CD-OE1 3.35Å; R41-E51 IonicContact CZ-OE1 3.6Å; R41-E51 IonicContact NE-OE1 3.73Å; R41-E51 IonicContact NH1-OE1 2.81Å; R41-E51 PolarHBondContact NH1-OE1 3.36Å; A42-E51 HydrophobicContact CB-CB 4.19Å; A42-E51 WeakPolarHBondContact CB-OE2 3.47Å; A42-E51 PolarHBondContact N-OE2 3.45Å; G47-E51 PolarHBondContact O-N 3.46Å; R48-E51 PolarHBondContact O-N 2.94Å; E51-N55 WeakPolarHBondContact CG-ND2 3.41Å; E51-N55 WeakPolarHBondContact O-CB 3.28Å; E51-N55 PolarHBondContact O-N 2.77Å; E51-N55 PolarHBondContact O-ND2 3.17Å; E51-N55 VanDerWaalsContact O-ND2 3.17Å
52D98.6Very high98.5Very high120 Ų12074.8 Ų74.864%0.64237%0.374SS*.Hα-helixtrans-63.1-46.7-178.8-70.5-21.5000111.8R48 D50 S56R48-D52 PolarHBondContact O-N 3.2Å; R48-D52 VanDerWaalsContact O-N 3.11Å; D50-D52 VanDerWaalsContact C-N 3.32Å; D50-D52 PolarHBondContact O-N 3.33Å; D52-S56 PolarHBondContact O-N 3.39Å
53Y98.6Very high98.5Very high130 Ų13079 Ų7951%0.5139%0.389SS..Hα-helixtrans-65.3-55.3-178.6178.7-104.1000111.7P49 D50 N55 S56 Q57P49-Y53 VanDerWaalsContact O-CB 3.25Å; P49-Y53 WeakPolarHBondContact O-CB 3.4Å; P49-Y53 PolarHBondContact O-N 3.41Å; D50-Y53 PolarHBondContact O-N 3.14Å; Y53-N55 VanDerWaalsContact C-N 3.33Å; Y53-N55 PolarHBondContact O-N 3.08Å; Y53-S56 WeakPolarHBondContact O-CB 3.42Å; Y53-S56 PolarHBondContact O-N 2.97Å; Y53-S56 VanDerWaalsContact O-N 3.11Å; Y53-S56 PolarHBondContact O-OG 3.06Å; Y53-Q57 HydrophobicContact CE1-CG 4.37Å; Y53-Q57 VanDerWaalsContact CZ-NE2 3.32Å; Y53-Q57 WeakPolarHBondContact O-CG 3.42Å; Y53-Q57 PolarHBondContact O-N 2.97Å; Y53-Q57 PolarHBondContact OH-NE2 3.46Å
54W98.7Very high98.5Very high68 Ų6877 Ų7726%0.25838%0.375SS..Hα-helixtrans-67.1-33.2-174.8-70.493.2000112F40 D50 S56 Q57 I60F40-W54 HydrophobicContact CB-CB 4.44Å; F40-W54 HydrophobicContact CD1-CB 4.47Å; F40-W54 HydrophobicContact CD2-CB 3.61Å; F40-W54 HydrophobicContact CE2-CB 3.9Å; F40-W54 HydrophobicContact CE2-CE3 4.39Å; F40-W54 HydrophobicContact CG-CB 3.93Å; F40-W54 HydrophobicContact CZ-CB 4.44Å; F40-W54 HydrophobicContact CZ-CE3 4.24Å; D50-W54 WeakPolarHBondContact O-CB 3.39Å; D50-W54 PolarHBondContact O-N 3.09Å; W54-S56 VanDerWaalsContact C-N 3.27Å; W54-S56 PolarHBondContact O-N 2.95Å; W54-Q57 PolarHBondContact O-N 3.45Å; W54-I60 HydrophobicContact CE3-CB 4.32Å; W54-I60 HydrophobicContact CE3-CD1 3.52Å; W54-I60 HydrophobicContact CE3-CG1 4.43Å; W54-I60 HydrophobicContact CE3-CG2 3.57Å; W54-I60 HydrophobicContact CH2-CD1 4.47Å; W54-I60 HydrophobicContact CZ3-CD1 3.45Å; W54-I60 VanDerWaalsContact CZ3-CD1 3.45Å; W54-I60 HydrophobicContact CZ3-CG1 4.34Å; W54-I60 HydrophobicContact CZ3-CG2 3.72Å
55N98.7Very high98.5Very high24 Ų2481 Ų8113%0.12839%0.385CS..Hα-helixtrans-73.6-18.2175.7-68.8-21.9000114E39 F40 E51 Y53 Q57 K58 L61E39-N55 WeakPolarHBondContact CB-OD1 3.42Å; F40-N55 WeakPolarHBondContact CB-OD1 3.42Å; F40-N55 PolarHBondContact N-OD1 3.21Å; F40-N55 PolarHBondContact O-ND2 2.68Å; E51-N55 WeakPolarHBondContact CG-ND2 3.41Å; E51-N55 WeakPolarHBondContact O-CB 3.28Å; E51-N55 PolarHBondContact O-N 2.77Å; E51-N55 PolarHBondContact O-ND2 3.17Å; E51-N55 VanDerWaalsContact O-ND2 3.17Å; Y53-N55 VanDerWaalsContact C-N 3.33Å; Y53-N55 PolarHBondContact O-N 3.08Å; N55-Q57 VanDerWaalsContact C-N 3.34Å; N55-K58 PolarHBondContact O-NZ 2.98Å; N55-L61 HydrophobicContact CB-CD1 4.47Å; N55-L61 WeakPolarHBondContact O-CD1 3.07Å
56S98.4Very high98.5Very high72 Ų7275.5 Ų75.550%0.50337%0.366SS..Hα-helixtrans-75.9-23.5171.380.90000112.7D52 Y53 W54 K58D52-S56 PolarHBondContact O-N 3.39Å; Y53-S56 WeakPolarHBondContact O-CB 3.42Å; Y53-S56 PolarHBondContact O-N 2.97Å; Y53-S56 VanDerWaalsContact O-N 3.11Å; Y53-S56 PolarHBondContact O-OG 3.06Å; W54-S56 VanDerWaalsContact C-N 3.27Å; W54-S56 PolarHBondContact O-N 2.95Å; S56-K58 PolarHBondContact O-N 2.88Å
57Q98.6Very high98.5Very high60 Ų6071.9 Ų71.928%0.2835%0.347SS..  trans-87.399.5-179-55.3-69.33800111Y53 W54 N55 I60 L61Y53-Q57 HydrophobicContact CE1-CG 4.37Å; Y53-Q57 VanDerWaalsContact CZ-NE2 3.32Å; Y53-Q57 WeakPolarHBondContact O-CG 3.42Å; Y53-Q57 PolarHBondContact O-N 2.97Å; Y53-Q57 PolarHBondContact OH-NE2 3.46Å; W54-Q57 PolarHBondContact O-N 3.45Å; N55-Q57 VanDerWaalsContact C-N 3.34Å; Q57-I60 HydrophobicContact CB-CB 4.09Å; Q57-I60 HydrophobicContact CB-CD1 3.59Å; Q57-I60 HydrophobicContact CB-CG1 3.9Å; Q57-I60 HydrophobicContact CG-CD1 3.88Å; Q57-I60 PolarHBondContact O-N 2.71Å; Q57-L61 PolarHBondContact O-N 2.87Å; Q57-L61 VanDerWaalsContact O-N 3.13Å
58K98.1Very high98.5Very high132 Ų13272.4 Ų72.457%0.57435%0.351SS*.Hα-helixtrans-69.3-38.4-172.5-61.7-54.3177.1-158.90113.9N55 S56 I60 L61 E62N55-K58 PolarHBondContact O-NZ 2.98Å; S56-K58 PolarHBondContact O-N 2.88Å; K58-I60 VanDerWaalsContact C-N 3.3Å; K58-I60 PolarHBondContact O-N 3.08Å; K58-L61 PolarHBondContact O-N 3.04Å; K58-E62 WeakPolarHBondContact O-CB 3.41Å; K58-E62 WeakPolarHBondContact O-CG 3.45Å; K58-E62 PolarHBondContact O-N 2.9Å
59D98.4Very high98.5Very high108 Ų10870.4 Ų70.458%0.57835%0.351SS*.Hα-helixtrans-57.4-43.9174.157.6-30000111.7E62 E63D59-E62 PolarHBondContact O-N 2.73Å; D59-E63 PolarHBondContact O-N 2.82Å
60I98.1Very high98.5Very high28 Ų2875.1 Ų75.114%0.14436%0.358CS..Hα-helixtrans-69.3-43.9179.5-56.6174.4000111.3F40 W54 Q57 K58 E62 E63 K64F40-I60 HydrophobicContact CE2-CG2 4.33Å; W54-I60 HydrophobicContact CE3-CB 4.32Å; W54-I60 HydrophobicContact CE3-CD1 3.52Å; W54-I60 HydrophobicContact CE3-CG1 4.43Å; W54-I60 HydrophobicContact CE3-CG2 3.57Å; W54-I60 HydrophobicContact CH2-CD1 4.47Å; W54-I60 HydrophobicContact CZ3-CD1 3.45Å; W54-I60 VanDerWaalsContact CZ3-CD1 3.45Å; W54-I60 HydrophobicContact CZ3-CG1 4.34Å; W54-I60 HydrophobicContact CZ3-CG2 3.72Å; Q57-I60 HydrophobicContact CB-CB 4.09Å; Q57-I60 HydrophobicContact CB-CD1 3.59Å; Q57-I60 HydrophobicContact CB-CG1 3.9Å; Q57-I60 HydrophobicContact CG-CD1 3.88Å; Q57-I60 PolarHBondContact O-N 2.71Å; K58-I60 VanDerWaalsContact C-N 3.3Å; K58-I60 PolarHBondContact O-N 3.08Å; I60-E62 VanDerWaalsContact C-N 3.31Å; I60-E62 PolarHBondContact O-N 2.94Å; I60-E63 PolarHBondContact O-N 2.84Å; I60-K64 HydrophobicContact CG2-CG 4.21Å; I60-K64 WeakPolarHBondContact O-CG 3.42Å; I60-K64 PolarHBondContact O-N 2.82Å
61L98.3Very high98.5Very high2 Ų275.8 Ų75.81%0.0136%0.36CS..Hα-helixtrans-59.9-43.2176.4-80179.5000112F33 E39 F40 N55 Q57 K58 K64 R65F33-L61 HydrophobicContact CE2-CD2 4.21Å; E39-L61 HydrophobicContact CB-CD2 4.09Å; F40-L61 HydrophobicContact CD2-CD2 4.06Å; F40-L61 HydrophobicContact CE2-CD2 4.35Å; N55-L61 HydrophobicContact CB-CD1 4.47Å; N55-L61 WeakPolarHBondContact O-CD1 3.07Å; Q57-L61 PolarHBondContact O-N 2.87Å; Q57-L61 VanDerWaalsContact O-N 3.13Å; K58-L61 PolarHBondContact O-N 3.04Å; L61-K64 PolarHBondContact O-N 2.84Å; L61-R65 WeakPolarHBondContact O-CB 3.31Å; L61-R65 WeakPolarHBondContact O-CD 3.36Å; L61-R65 WeakPolarHBondContact O-CG 3.25Å; L61-R65 PolarHBondContact O-N 3.02Å
62E98.4Very high98.4Very high134 Ų13474.3 Ų74.363%0.62635%0.353SS*.Hα-helixtrans-62.4-42.8176.1-75.2178.6-175.800111.7K58 D59 I60 R65 A66K58-E62 WeakPolarHBondContact O-CB 3.41Å; K58-E62 WeakPolarHBondContact O-CG 3.45Å; K58-E62 PolarHBondContact O-N 2.9Å; D59-E62 PolarHBondContact O-N 2.73Å; I60-E62 VanDerWaalsContact C-N 3.31Å; I60-E62 PolarHBondContact O-N 2.94Å; E62-R65 PolarHBondContact O-N 3.32Å; E62-A66 PolarHBondContact O-N 3.01Å; E62-A66 VanDerWaalsContact O-N 3.14Å
63E98.4Very high98.4Very high118 Ų11872.4 Ų72.455%0.55134%0.337SS*.Hα-helixtrans-58.6-50.9174.9-170.9-168.6152.500111.3D59 I60 R65 A66 V67D59-E63 PolarHBondContact O-N 2.82Å; I60-E63 PolarHBondContact O-N 2.84Å; E63-R65 PolarHBondContact O-N 3.38Å; E63-A66 WeakPolarHBondContact O-CB 3.47Å; E63-A66 PolarHBondContact O-N 3.32Å; E63-A66 VanDerWaalsContact O-N 3.09Å; E63-V67 WeakPolarHBondContact O-CG2 3.42Å; E63-V67 PolarHBondContact O-N 2.85Å
64K98.5Very high98.3Very high22 Ų2271.1 Ų71.110%0.09634%0.336CS..Hα-helixtrans-64.6-38.5-178.2-63.3-62.1173.6-178.30112.6F19 E21 F33 F40 I60 L61 A66 V67F19-K64 HydrophobicContact CE1-CD 4.23Å; E21-K64 WeakPolarHBondContact OE1-CE 3.43Å; E21-K64 IonicContact OE1-NZ 2.71Å; E21-K64 PolarHBondContact OE1-NZ 2.98Å; E21-K64 IonicContact OE2-NZ 2.73Å; E21-K64 PolarHBondContact OE2-NZ 3.1Å; F33-K64 HydrophobicContact CD1-CB 3.93Å; F33-K64 HydrophobicContact CD2-CB 3.8Å; F33-K64 HydrophobicContact CD2-CG 4.38Å; F33-K64 HydrophobicContact CE1-CB 3.7Å; F33-K64 WeakPolarHBondContact CE1-O 3.5Å; F33-K64 HydrophobicContact CE2-CB 3.55Å; F33-K64 HydrophobicContact CG-CB 3.99Å; F33-K64 HydrophobicContact CG-CG 4.47Å; F33-K64 HydrophobicContact CZ-CB 3.51Å; F40-K64 HydrophobicContact CE2-CG 4.13Å; F40-K64 HydrophobicContact CZ-CD 4.45Å; F40-K64 HydrophobicContact CZ-CG 3.97Å; I60-K64 HydrophobicContact CG2-CG 4.21Å; I60-K64 WeakPolarHBondContact O-CG 3.42Å; I60-K64 PolarHBondContact O-N 2.82Å; L61-K64 PolarHBondContact O-N 2.84Å; K64-A66 PolarHBondContact O-N 2.89Å; K64-V67 WeakPolarHBondContact O-CB 3.48Å; K64-V67 WeakPolarHBondContact O-CG2 3.26Å; K64-V67 PolarHBondContact O-N 3.12Å
65R98.7Very high98.2Very high123 Ų12371.4 Ų71.446%0.46434%0.342SS..Hα-helixtrans-63.4-27.5174.1-73165.6-175.2175-0.8112.8F33 G38 L61 E62 E63 P68F33-R65 HydrophobicContact CE2-CG 4.45Å; F33-R65 HydrophobicContact CZ-CG 3.99Å; G38-R65 VanDerWaalsContact O-CZ 3.25Å; G38-R65 PolarHBondContact O-NE 3.34Å; G38-R65 PolarHBondContact O-NH2 2.92Å; L61-R65 WeakPolarHBondContact O-CB 3.31Å; L61-R65 WeakPolarHBondContact O-CD 3.36Å; L61-R65 WeakPolarHBondContact O-CG 3.25Å; L61-R65 PolarHBondContact O-N 3.02Å; E62-R65 PolarHBondContact O-N 3.32Å; E63-R65 PolarHBondContact O-N 3.38Å; R65-P68 WeakPolarHBondContact O-CD 3.02Å
66A98.7Very high98Very high35 Ų3574 Ų7429%0.28935%0.35SS..Hα-helixtrans-84-13.8177.900000113.7E62 E63 K64 P68 D69 R70E62-A66 PolarHBondContact O-N 3.01Å; E62-A66 VanDerWaalsContact O-N 3.14Å; E63-A66 WeakPolarHBondContact O-CB 3.47Å; E63-A66 PolarHBondContact O-N 3.32Å; E63-A66 VanDerWaalsContact O-N 3.09Å; K64-A66 PolarHBondContact O-N 2.89Å; A66-P68 VanDerWaalsContact C-CD 3.47Å; A66-D69 PolarHBondContact O-N 2.82Å; A66-R70 HydrophobicContact CB-CG 4.37Å; A66-R70 WeakPolarHBondContact O-CB 3.07Å; A66-R70 VanDerWaalsContact O-CG 3.31Å; A66-R70 WeakPolarHBondContact O-CG 3.45Å; A66-R70 PolarHBondContact O-N 3.46Å
67V98.7Very high97.8Very high16 Ų1675.5 Ų75.510%0.09735%0.35CS..THydrogen-bonded Turntrans-57.3-41.3-176.2178.90000114F19 E63 K64 D69 R70 M71 C72F19-V67 HydrophobicContact CB-CB 4.35Å; F19-V67 HydrophobicContact CB-CG1 4.15Å; F19-V67 HydrophobicContact CD1-CB 3.63Å; F19-V67 HydrophobicContact CD1-CG1 3.66Å; F19-V67 HydrophobicContact CD1-CG2 4.14Å; F19-V67 HydrophobicContact CD2-CB 4.34Å; F19-V67 HydrophobicContact CD2-CG1 3.46Å; F19-V67 VanDerWaalsContact CD2-CG1 3.46Å; F19-V67 HydrophobicContact CE1-CB 3.93Å; F19-V67 HydrophobicContact CE1-CG1 3.83Å; F19-V67 HydrophobicContact CE1-CG2 3.96Å; F19-V67 HydrophobicContact CE2-CG1 3.65Å; F19-V67 HydrophobicContact CG-CB 3.85Å; F19-V67 HydrophobicContact CG-CG1 3.46Å; F19-V67 VanDerWaalsContact CG-CG1 3.46Å; F19-V67 HydrophobicContact CZ-CB 4.41Å; F19-V67 HydrophobicContact CZ-CG1 3.82Å; F19-V67 HydrophobicContact CZ-CG2 4.42Å; E63-V67 WeakPolarHBondContact O-CG2 3.42Å; E63-V67 PolarHBondContact O-N 2.85Å; K64-V67 WeakPolarHBondContact O-CB 3.48Å; K64-V67 WeakPolarHBondContact O-CG2 3.26Å; K64-V67 PolarHBondContact O-N 3.12Å; V67-D69 PolarHBondContact O-N 2.84Å; V67-R70 CarbonylContact O-C 3.45Å; V67-R70 PolarHBondContact O-N 2.94Å; V67-M71 HydrophobicContact CG1-CB 4.07Å; V67-M71 HydrophobicContact CG1-CE 3.77Å; V67-M71 HydrophobicContact CG1-SD 4.5Å; V67-M71 PolarHBondContact O-N 2.94Å; V67-C72 PolarHBondContact O-N 3.2Å; V67-C72 VanDerWaalsContact O-N 3.1Å
68P98.7Very high97.5Very high12 Ų1277 Ų778%0.07836%0.359CS..Iπ-helixtrans-53.4-48.6177-27.634.8000113.8Q17 F19 R65 A66 C72 R73Q17-P68 HydrophobicContact CB-CB 4.03Å; F19-P68 HydrophobicContact CB-CG 3.79Å; R65-P68 WeakPolarHBondContact O-CD 3.02Å; A66-P68 VanDerWaalsContact C-CD 3.47Å; P68-C72 WeakPolarHBondContact O-CB 3.35Å; P68-R73 WeakPolarHBondContact O-CB 3.41Å; P68-R73 PolarHBondContact O-N 2.04Å
69D98.3Very high97.2Very high105 Ų10574.8 Ų74.856%0.56135%0.353SS*.Iπ-helixtrans-85.4-17.3-177-75.2-39.5000113.7A66 V67 R73A66-D69 PolarHBondContact O-N 2.82Å; V67-D69 PolarHBondContact O-N 2.84Å; D69-R73 IonicContact OD1-CZ 3.36Å; D69-R73 IonicContact OD1-NE 2.82Å; D69-R73 PolarHBondContact OD1-NE 2.95Å; D69-R73 VanDerWaalsContact OD1-NE 3.08Å; D69-R73 IonicContact OD1-NH2 2.77Å; D69-R73 PolarHBondContact OD1-NH2 3.13Å
70R97.9Very high96.7Very high184 Ų18472.8 Ų72.869%0.69434%0.341SS*.Iπ-helixtrans-91.1-90.3173.9-61.1-175.691.2-171.27.1110A66 V67 H74A66-R70 HydrophobicContact CB-CG 4.37Å; A66-R70 WeakPolarHBondContact O-CB 3.07Å; A66-R70 VanDerWaalsContact O-CG 3.31Å; A66-R70 WeakPolarHBondContact O-CG 3.45Å; A66-R70 PolarHBondContact O-N 3.46Å; V67-R70 CarbonylContact O-C 3.45Å; V67-R70 PolarHBondContact O-N 2.94Å; R70-H74 WeakPolarHBondContact O-CB 3.1Å; R70-H74 PolarHBondContact O-N 3.19Å
71M98.1Very high96.1Very high66 Ų6675 Ų7533%0.32536%0.364SS..Iπ-helixtrans-65.2-48-170-174.6-163.674.900112.6C10 F19 V67 N75C10-M71 VanDerWaalsContact SG-CE 3.54Å; F19-M71 HydrophobicContact CD2-CE 4.34Å; F19-M71 HydrophobicContact CE2-CE 4.05Å; V67-M71 HydrophobicContact CG1-CB 4.07Å; V67-M71 HydrophobicContact CG1-CE 3.77Å; V67-M71 HydrophobicContact CG1-SD 4.5Å; V67-M71 PolarHBondContact O-N 2.94Å; M71-N75 WeakPolarHBondContact O-CB 3.38Å; M71-N75 VanDerWaalsContact O-CG 3.26Å; M71-N75 PolarHBondContact O-N 2.99Å
72C98.2Very high95.5Very high1 Ų178.2 Ų78.21%0.00738%0.383CS..Iπ-helixtrans-65.3-50.6-174.1-670000111.5C10 Q17 V67 P68 N75 Y76C10-C72 HydrophobicContact CB-CB 3.57Å; C10-C72 WeakPolarHBondContact CB-SG 3.17Å; C10-C72 WeakPolarHBondContact SG-CA 3.43Å; C10-C72 WeakPolarHBondContact SG-CB 3.22Å; C10-C72 CovalentContact SG-SG 2.04Å; C10-C72 PolarHBondContact SG-SG 2.81Å; Q17-C72 HydrophobicContact CB-CB 4.11Å; Q17-C72 HydrophobicContact CG-CB 4.27Å; V67-C72 PolarHBondContact O-N 3.2Å; V67-C72 VanDerWaalsContact O-N 3.1Å; P68-C72 WeakPolarHBondContact O-CB 3.35Å; C72-N75 PolarHBondContact O-N 3.46Å; C72-Y76 WeakPolarHBondContact O-CB 3.4Å; C72-Y76 PolarHBondContact O-N 3.39Å
73R97.9Very high94.6Very high80 Ų8074.7 Ų74.730%0.30237%0.371SS..Hα-helixtrans-59.4-48.4176.3-173.7178.1-60.8-81.9-0.9112Q17 P68 D69 N75 Y76 E77Q17-R73 HydrophobicContact CG-CB 4.12Å; P68-R73 WeakPolarHBondContact O-CB 3.41Å; P68-R73 PolarHBondContact O-N 2.04Å; D69-R73 IonicContact OD1-CZ 3.36Å; D69-R73 IonicContact OD1-NE 2.82Å; D69-R73 PolarHBondContact OD1-NE 2.95Å; D69-R73 VanDerWaalsContact OD1-NE 3.08Å; D69-R73 IonicContact OD1-NH2 2.77Å; D69-R73 PolarHBondContact OD1-NH2 3.13Å; R73-N75 PolarHBondContact O-N 3.45Å; R73-Y76 PolarHBondContact O-N 2.74Å; R73-E77 HydrophobicContact CG-CG 4.4Å; R73-E77 VanDerWaalsContact CG-OE1 3.26Å; R73-E77 WeakPolarHBondContact CG-OE1 3.39Å; R73-E77 WeakPolarHBondContact O-CG 3.07Å; R73-E77 PolarHBondContact O-N 3.4Å
74H96.4Very high93.7Very high104 Ų10472 Ų7248%0.48136%0.36SS..Hα-helixtrans-56.4-49179.4176.967.1000112.3R70 E77 L78R70-H74 WeakPolarHBondContact O-CB 3.1Å; R70-H74 PolarHBondContact O-N 3.19Å; H74-E77 PolarHBondContact O-N 3.02Å; H74-L78 WeakPolarHBondContact NE2-CD1 3.42Å; H74-L78 WeakPolarHBondContact O-CG 3.27Å; H74-L78 PolarHBondContact O-N 2.93Å; H74-L78 VanDerWaalsContact O-N 3.13Å
75N96.1Very high92.5Very high73 Ų7377.7 Ų77.739%0.3939%0.387SS..Hα-helixtrans-67.7-40.1-179.5-69.3-10.1000111.6M71 C72 R73 L78 D79M71-N75 WeakPolarHBondContact O-CB 3.38Å; M71-N75 VanDerWaalsContact O-CG 3.26Å; M71-N75 PolarHBondContact O-N 2.99Å; C72-N75 PolarHBondContact O-N 3.46Å; R73-N75 PolarHBondContact O-N 3.45Å; N75-L78 PolarHBondContact O-N 3.17Å; N75-D79 WeakPolarHBondContact O-CB 3.31Å; N75-D79 PolarHBondContact O-N 2.93Å
76Y95.1Very high91Very high78 Ų7881.5 Ų81.531%0.30640%0.401SS..Hα-helixtrans-60.6-46176.1177.7-90000111.9A12 C72 R73 L78 D79 E80 L84A12-Y76 HydrophobicContact CB-CD2 3.43Å; A12-Y76 VanDerWaalsContact CB-CD2 3.43Å; A12-Y76 HydrophobicContact CB-CE2 3.58Å; A12-Y76 HydrophobicContact CB-CG 4.14Å; C72-Y76 WeakPolarHBondContact O-CB 3.4Å; C72-Y76 PolarHBondContact O-N 3.39Å; R73-Y76 PolarHBondContact O-N 2.74Å; Y76-L78 VanDerWaalsContact C-N 3.34Å; Y76-L78 PolarHBondContact O-N 2.75Å; Y76-D79 CarbonylContact O-C 3.6Å; Y76-D79 PolarHBondContact O-N 3.27Å; Y76-E80 HydrophobicContact CE1-CB 4.2Å; Y76-E80 HydrophobicContact CE1-CG 4.5Å; Y76-E80 VanDerWaalsContact O-CB 3.27Å; Y76-E80 WeakPolarHBondContact O-CB 3.43Å; Y76-E80 PolarHBondContact O-N 3.26Å; Y76-E80 PolarHBondContact OH-OE1 2.92Å; Y76-E80 VanDerWaalsContact OH-OE1 3.12Å; Y76-L84 HydrophobicContact CD2-CD1 4.18Å; Y76-L84 HydrophobicContact CE2-CD1 3.61Å
77E93.8Very high89.1Confident104 Ų10492.1 Ų92.149%0.48643%0.433SS..Hα-helixtrans-64.6-37.8179.8-72.3172.2-177.900112.1R73 H74 A81R73-E77 HydrophobicContact CG-CG 4.4Å; R73-E77 VanDerWaalsContact CG-OE1 3.26Å; R73-E77 WeakPolarHBondContact CG-OE1 3.39Å; R73-E77 WeakPolarHBondContact O-CG 3.07Å; R73-E77 PolarHBondContact O-N 3.4Å; H74-E77 PolarHBondContact O-N 3.02Å; E77-A81 PolarHBondContact O-N 2.84Å
78L93.1Very high88.6Confident93 Ų9395.9 Ų95.949%0.48745%0.45SS..Hα-helixtrans-63.1-49172.2-72.5176.4000111.5H74 N75 Y76 E80 A81 V82H74-L78 WeakPolarHBondContact NE2-CD1 3.42Å; H74-L78 WeakPolarHBondContact O-CG 3.27Å; H74-L78 PolarHBondContact O-N 2.93Å; H74-L78 VanDerWaalsContact O-N 3.13Å; N75-L78 PolarHBondContact O-N 3.17Å; Y76-L78 VanDerWaalsContact C-N 3.34Å; Y76-L78 PolarHBondContact O-N 2.75Å; L78-E80 VanDerWaalsContact C-N 3.33Å; L78-E80 PolarHBondContact O-N 3.26Å; L78-A81 PolarHBondContact O-N 3.15Å; L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.35Å; L78-V82 PolarHBondContact O-N 2.9Å
79D91.1Very high88.1Confident84 Ų84100.3 Ų100.345%0.44947%0.47SS..Hα-helixtrans-67.2-32.3179.3-82.8-20.9000112.7N75 Y76 V82 T83 L84N75-D79 WeakPolarHBondContact O-CB 3.31Å; N75-D79 PolarHBondContact O-N 2.93Å; Y76-D79 CarbonylContact O-C 3.6Å; Y76-D79 PolarHBondContact O-N 3.27Å; D79-V82 PolarHBondContact O-N 3.39Å; D79-T83 CarbonylContact O-C 3.55Å; D79-T83 VanDerWaalsContact O-CA 3.3Å; D79-T83 WeakPolarHBondContact O-CA 3.44Å; D79-T83 VanDerWaalsContact O-CB 3.31Å; D79-T83 WeakPolarHBondContact O-CB 3.3Å; D79-T83 PolarHBondContact O-N 2.73Å; D79-L84 PolarHBondContact O-N 3.42Å
80E87.9Confident87.5Confident67 Ų67100.1 Ų100.131%0.31347%0.465SS..Hα-helixtrans-62.7-47.7175.1-175.8168.4-124.600110.3Y76 L78 V82 L84 Q85Y76-E80 HydrophobicContact CE1-CB 4.2Å; Y76-E80 HydrophobicContact CE1-CG 4.5Å; Y76-E80 VanDerWaalsContact O-CB 3.27Å; Y76-E80 WeakPolarHBondContact O-CB 3.43Å; Y76-E80 PolarHBondContact O-N 3.26Å; Y76-E80 PolarHBondContact OH-OE1 2.92Å; Y76-E80 VanDerWaalsContact OH-OE1 3.12Å; L78-E80 VanDerWaalsContact C-N 3.33Å; L78-E80 PolarHBondContact O-N 3.26Å; E80-V82 VanDerWaalsContact C-N 3.27Å; E80-V82 PolarHBondContact O-N 3.33Å; E80-L84 HydrophobicContact CB-CD1 4.5Å; E80-Q85 HydrophobicContact CG-CG 4.1Å; E80-Q85 WeakPolarHBondContact O-CB 3.29Å; E80-Q85 WeakPolarHBondContact O-CG 3.41Å; E80-Q85 PolarHBondContact O-N 3.36Å
81A85.9Confident86.9Confident75 Ų7595.1 Ų95.162%0.6245%0.451SS*.Hα-helixtrans-63.7-29179.800000113.7E77 L78E77-A81 PolarHBondContact O-N 2.84Å; L78-A81 PolarHBondContact O-N 3.15Å
82V84.9Confident86.2Confident68 Ų6896.9 Ų96.941%0.41246%0.459SS..Hα-helixtrans-117.8-27.5-170.5-54.20000115.7L78 D79 E80 R86L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.35Å; L78-V82 PolarHBondContact O-N 2.9Å; D79-V82 PolarHBondContact O-N 3.39Å; E80-V82 VanDerWaalsContact C-N 3.27Å; E80-V82 PolarHBondContact O-N 3.33Å; V82-R86 WeakPolarHBondContact O-CD 3.1Å; V82-R86 PolarHBondContact O-NE 3.48Å; V82-R86 PolarHBondContact O-NH1 3.29Å
83T80.6Confident85.4Confident61 Ų61103.3 Ų103.337%0.37449%0.489SS..THydrogen-bonded Turntrans-119.3-51.7-170.3-56.30000112.1D79 R86D79-T83 CarbonylContact O-C 3.55Å; D79-T83 VanDerWaalsContact O-CA 3.3Å; D79-T83 WeakPolarHBondContact O-CA 3.44Å; D79-T83 VanDerWaalsContact O-CB 3.31Å; D79-T83 WeakPolarHBondContact O-CB 3.3Å; D79-T83 PolarHBondContact O-N 2.73Å; T83-R86 PolarHBondContact O-N 3.29Å
84L79.5Confident84.5Confident62 Ų62105 Ų10533%0.32550%0.503SS..G310 helixtrans-75.8-37.9-170.2-58.1173.9000112.8Y76 D79 E80 R86 R87Y76-L84 HydrophobicContact CD2-CD1 4.18Å; Y76-L84 HydrophobicContact CE2-CD1 3.61Å; D79-L84 PolarHBondContact O-N 3.42Å; E80-L84 HydrophobicContact CB-CD1 4.5Å; L84-R86 PolarHBondContact O-N 3.3Å; L84-R86 VanDerWaalsContact O-N 3.15Å; L84-R87 PolarHBondContact O-N 2.99Å
85Q73.8Confident83.6Confident141 Ų141105.1 Ų105.166%0.65950%0.504SS*.G310 helixtrans-70.5-4.9176-66.8-71.2-28.100113.6E80E80-Q85 HydrophobicContact CG-CG 4.1Å; E80-Q85 WeakPolarHBondContact O-CB 3.29Å; E80-Q85 WeakPolarHBondContact O-CG 3.41Å; E80-Q85 PolarHBondContact O-N 3.36Å
86R66.6Low82.5Confident202 Ų202107.8 Ų107.876%0.76251%0.514SS*.G310 helixtrans-98.2-1176.8-60.4-172.5-176.8163.42.8113.5V82 T83 L84V82-R86 WeakPolarHBondContact O-CD 3.1Å; V82-R86 PolarHBondContact O-NE 3.48Å; V82-R86 PolarHBondContact O-NH1 3.29Å; T83-R86 PolarHBondContact O-N 3.29Å; L84-R86 PolarHBondContact O-N 3.3Å; L84-R86 VanDerWaalsContact O-N 3.15Å
87R58.1Low81.4Confident258 Ų258110.5 Ų110.597%0.97453%0.533SS*.  trans-97.30176.3-71.4-177.7172.6179.8-0.5110.5L84L84-R87 PolarHBondContact O-N 2.99Å

Retrieved 87 of 87 residues in 89.1 ms (Link to these results)

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