A0A077ZCF7_TRITR Loading...

Myosin type II heavy chain

AlphaFold DB , UniProt , Accession A0A077ZCF7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 95 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
1M34.9Very low52.5Low193 Ų193104.3 Ų104.395%0.95160%0.603SS**  0113.30-147.6166.7-152.800105.8
2T43.2Very low53Low59 Ų59100.2 Ų100.236%0.36260%0.6SS.*  trans-85.1118.9179.5-580000106.5V18 F20 E24T2-V18 HydrophobicContact CG2-CG1 3.44Å; T2-V18 VanDerWaalsContact CG2-CG1 3.44Å; T2-F20 HydrophobicContact CG2-CE1 4.49Å; T2-E24 PolarHBondContact OG1-OE1 3.43Å
3R41.7Very low53.3Low213 Ų21394.8 Ų94.880%0.80457%0.566SS**EExtended strand (participates in β ladder)trans-96.6110.2177.7-154.3174.8-179.5-172-0.5107.3V19R3-V19 PolarHBondContact O-N 3.41Å
4A55.2Low53.2Low79 Ų7993.1 Ų93.165%0.65356%0.556SS**EExtended strand (participates in β ladder)trans-88.1138.2170.400000108.7
5G60.7Low53.4Low43 Ų4386.9 Ų86.944%0.44352%0.519SS..EExtended strand (participates in β ladder)trans-143.4152.9170.900000109.8A17G5-A17 PolarHBondContact N-O 3.02Å; G5-A17 PolarHBondContact O-N 3.37Å
6S65.4Low53.9Low97 Ų9784.4 Ų84.468%0.67851%0.511SS*.EExtended strand (participates in β ladder)trans-112.3135.9170.653.30000108.9C15S6-C15 WeakPolarHBondContact CA-O 3.48Å
7F56.7Low54.3Low81 Ų8180.2 Ų80.236%0.35549%0.487SS..EExtended strand (participates in β ladder)trans-124.1140.8169.564.1-85.1000109.6F9 C15 A17 V40F7-F9 HydrophobicContact CD2-CE2 4.14Å; F7-F9 HydrophobicContact CD2-CZ 4.39Å; F7-F9 HydrophobicContact CE2-CD2 4.23Å; F7-F9 AromaticContact CE2-CE2 3.45Å; F7-F9 HydrophobicContact CE2-CE2 3.45Å; F7-F9 VanDerWaalsContact CE2-CE2 3.45Å; F7-F9 AromaticContact CE2-CZ 3.62Å; F7-F9 HydrophobicContact CE2-CZ 3.62Å; F7-F9 HydrophobicContact CZ-CE2 4.36Å; F7-C15 HydrophobicContact CD1-CB 4.19Å; F7-C15 WeakPolarHBondContact CD1-O 3.35Å; F7-C15 HydrophobicContact CD2-CB 4.28Å; F7-C15 HydrophobicContact CE1-CB 3.68Å; F7-C15 HydrophobicContact CE2-CB 3.8Å; F7-C15 HydrophobicContact CG-CB 4.48Å; F7-C15 HydrophobicContact CZ-CB 3.48Å; F7-C15 VanDerWaalsContact CZ-CB 3.48Å; F7-C15 PolarHBondContact N-O 3.21Å; F7-C15 PolarHBondContact O-N 3.24Å; F7-A17 HydrophobicContact CD1-CB 4.05Å; F7-A17 HydrophobicContact CE1-CB 3.81Å; F7-V40 HydrophobicContact CE1-CG1 3.8Å; F7-V40 HydrophobicContact CE1-CG2 4.36Å; F7-V40 HydrophobicContact CZ-CG1 3.66Å
8G60.9Low54.2Low59 Ų5977.6 Ų77.661%0.60847%0.471SS*.EExtended strand (participates in β ladder)trans-102.6134.4177.300000110.4
9F58.5Low54.4Low103 Ų10377.5 Ų77.545%0.45247%0.471SS..  trans-82150.9162.1-70.9-80.9000109.6F7 N11 G12 I13 C15F7-F9 HydrophobicContact CD2-CE2 4.14Å; F7-F9 HydrophobicContact CD2-CZ 4.39Å; F7-F9 HydrophobicContact CE2-CD2 4.23Å; F7-F9 AromaticContact CE2-CE2 3.45Å; F7-F9 HydrophobicContact CE2-CE2 3.45Å; F7-F9 VanDerWaalsContact CE2-CE2 3.45Å; F7-F9 AromaticContact CE2-CZ 3.62Å; F7-F9 HydrophobicContact CE2-CZ 3.62Å; F7-F9 HydrophobicContact CZ-CE2 4.36Å; F9-N11 PolarHBondContact O-N 3.49Å; F9-G12 PolarHBondContact O-N 2.87Å; F9-I13 HydrophobicContact CB-CB 4.27Å; F9-I13 HydrophobicContact CD2-CB 4.16Å; F9-I13 HydrophobicContact CD2-CG2 4.2Å; F9-I13 PolarHBondContact N-O 3.36Å; F9-C15 VanDerWaalsContact CE2-SG 3.51Å
10P55Low54.5Low130 Ų13074.4 Ų74.484%0.84445%0.45SS*.THydrogen-bonded Turntrans-58.4-19.2177.821.6-32000113.6G12P10-G12 PolarHBondContact O-N 3Å
11N45.8Very low54.7Low90 Ų9078.1 Ų78.148%0.48146%0.456SS..THydrogen-bonded Turntrans-79.915174.7-65-36.8000114.1F9 I13 N50F9-N11 PolarHBondContact O-N 3.49Å; N11-I13 PolarHBondContact O-N 3.11Å; N11-N50 PolarHBondContact O-ND2 2.86Å
12G57.8Low55.7Low55 Ų5573.2 Ų73.257%0.56744%0.439SS*.SBendtrans75.40.5-17900000115F9 P10 V14F9-G12 PolarHBondContact O-N 2.87Å; P10-G12 PolarHBondContact O-N 3Å; G12-V14 PolarHBondContact O-N 3.02Å
13I57.1Low56.7Low30 Ų3074.2 Ų74.215%0.15445%0.454CS..  trans-74.4115.3175.9-57.6174.6000109.1F9 N11 C42 A46 I47F9-I13 HydrophobicContact CB-CB 4.27Å; F9-I13 HydrophobicContact CD2-CB 4.16Å; F9-I13 HydrophobicContact CD2-CG2 4.2Å; F9-I13 PolarHBondContact N-O 3.36Å; N11-I13 PolarHBondContact O-N 3.11Å; I13-C42 HydrophobicContact CG2-CB 4.04Å; I13-A46 HydrophobicContact CB-CB 4.18Å; I13-A46 HydrophobicContact CG1-CB 3.97Å; I13-A46 HydrophobicContact CG2-CB 4.23Å; I13-I47 HydrophobicContact CD1-CG1 4.47Å
14V52.4Low57.4Low71 Ų7167.3 Ų67.343%0.4343%0.43SS..EExtended strand (participates in β ladder)trans-97126.1173.1-175.10000109.3G12 S43G12-V14 PolarHBondContact O-N 3.02Å; V14-S43 PolarHBondContact O-N 2.75Å; V14-S43 PolarHBondContact O-OG 3.41Å
15C56.1Low57.5Low0 Ų064.3 Ų64.30%041%0.406CS..EExtended strand (participates in β ladder)trans-115.7125.2176.9-55.80000110.8S6 F7 F9 V40 N41 C42S6-C15 WeakPolarHBondContact CA-O 3.48Å; F7-C15 HydrophobicContact CD1-CB 4.19Å; F7-C15 WeakPolarHBondContact CD1-O 3.35Å; F7-C15 HydrophobicContact CD2-CB 4.28Å; F7-C15 HydrophobicContact CE1-CB 3.68Å; F7-C15 HydrophobicContact CE2-CB 3.8Å; F7-C15 HydrophobicContact CG-CB 4.48Å; F7-C15 HydrophobicContact CZ-CB 3.48Å; F7-C15 VanDerWaalsContact CZ-CB 3.48Å; F7-C15 PolarHBondContact N-O 3.21Å; F7-C15 PolarHBondContact O-N 3.24Å; F9-C15 VanDerWaalsContact CE2-SG 3.51Å; C15-V40 HydrophobicContact CB-CG1 3.66Å; C15-N41 CarbonylContact C-O 3.59Å; C15-N41 WeakPolarHBondContact CA-O 3.02Å; C15-C42 HydrophobicContact CB-CB 4.02Å; C15-C42 WeakPolarHBondContact CB-SG 3.44Å; C15-C42 WeakPolarHBondContact SG-CB 3.41Å; C15-C42 CovalentContact SG-SG 2.03Å; C15-C42 PolarHBondContact SG-SG 2.03Å
16A61.4Low57.4Low48 Ų4870 Ų7040%0.39742%0.418SS..EExtended strand (participates in β ladder)trans-82.8121.6168.700000108.8V40 N41A16-V40 CarbonylContact O-C 3.49Å; A16-V40 WeakPolarHBondContact O-CA 3.46Å; A16-N41 PolarHBondContact N-O 2.86Å; A16-N41 PolarHBondContact O-N 2.82Å
17A59.9Low57.1Low13 Ų1373 Ų7311%0.10742%0.421CS..EExtended strand (participates in β ladder)trans-104.7124.8174.500000108.7G5 F7 L38 A39 V40G5-A17 PolarHBondContact N-O 3.02Å; G5-A17 PolarHBondContact O-N 3.37Å; F7-A17 HydrophobicContact CD1-CB 4.05Å; F7-A17 HydrophobicContact CE1-CB 3.81Å; A17-L38 HydrophobicContact CB-CD1 3.65Å; A17-L38 HydrophobicContact CB-CD2 4.41Å; A17-L38 HydrophobicContact CB-CG 4.22Å; A17-A39 CarbonylContact C-O 3.59Å; A17-A39 WeakPolarHBondContact CA-O 3.36Å; A17-V40 HydrophobicContact CB-CG2 4.32Å
18V52.9Low56.9Low32 Ų3276.6 Ų76.619%0.19443%0.433CS..EExtended strand (participates in β ladder)trans-120.5114.1175.2-172.40000108.3T2 F20 A39T2-V18 HydrophobicContact CG2-CG1 3.44Å; T2-V18 VanDerWaalsContact CG2-CG1 3.44Å; V18-F20 HydrophobicContact CB-CD2 4.46Å; V18-F20 HydrophobicContact CB-CE2 3.81Å; V18-F20 HydrophobicContact CB-CZ 3.99Å; V18-F20 HydrophobicContact CG1-CD1 4.31Å; V18-F20 HydrophobicContact CG1-CD2 4.16Å; V18-F20 HydrophobicContact CG1-CE1 3.79Å; V18-F20 HydrophobicContact CG1-CE2 3.64Å; V18-F20 HydrophobicContact CG1-CG 4.47Å; V18-F20 HydrophobicContact CG1-CZ 3.42Å; V18-F20 VanDerWaalsContact CG1-CZ 3.42Å; V18-F20 PolarHBondContact O-N 3.44Å; V18-A39 PolarHBondContact N-O 2.96Å; V18-A39 PolarHBondContact O-N 3.13Å
19V57.5Low56.8Low77 Ų7776.4 Ų76.447%0.46742%0.415SS..EExtended strand (participates in β ladder)trans-84.3111.2172.6-177.40000108.1R3 L38R3-V19 PolarHBondContact O-N 3.41Å; V19-L38 HydrophobicContact CB-CD1 4.46Å; V19-L38 HydrophobicContact CG2-CD1 3.36Å
20F56.8Low56.8Low14 Ų1475.7 Ų75.76%0.06142%0.421CS..  trans-90.1144.7174-68.2-76.9000110.4T2 V18 A25 R28 F29 R37 A39T2-F20 HydrophobicContact CG2-CE1 4.49Å; V18-F20 HydrophobicContact CB-CD2 4.46Å; V18-F20 HydrophobicContact CB-CE2 3.81Å; V18-F20 HydrophobicContact CB-CZ 3.99Å; V18-F20 HydrophobicContact CG1-CD1 4.31Å; V18-F20 HydrophobicContact CG1-CD2 4.16Å; V18-F20 HydrophobicContact CG1-CE1 3.79Å; V18-F20 HydrophobicContact CG1-CE2 3.64Å; V18-F20 HydrophobicContact CG1-CG 4.47Å; V18-F20 HydrophobicContact CG1-CZ 3.42Å; V18-F20 VanDerWaalsContact CG1-CZ 3.42Å; V18-F20 PolarHBondContact O-N 3.44Å; F20-A25 HydrophobicContact CB-CB 3.79Å; F20-R28 VanDerWaalsContact CE1-NH1 3.26Å; F20-R28 VanDerWaalsContact CZ-NH1 3.33Å; F20-F29 AromaticContact CD2-CE2 3.91Å; F20-F29 HydrophobicContact CD2-CE2 3.91Å; F20-F29 AromaticContact CE2-CE2 3.59Å; F20-F29 HydrophobicContact CE2-CE2 3.59Å; F20-F29 HydrophobicContact CE2-CZ 4.19Å; F20-F29 HydrophobicContact CZ-CE2 4.12Å; F20-R37 PolarHBondContact N-O 2.98Å; F20-A39 HydrophobicContact CD2-CB 4.04Å; F20-A39 HydrophobicContact CE2-CB 3.71Å
21R58.5Low56.6Low153 Ų15378.5 Ų78.558%0.57742%0.415SS*.  trans-62.1145.9162.5-72.5179.6174.4166.8-5.2108.6A23 E24 A25R21-A23 PolarHBondContact O-N 3.37Å; R21-A23 VanDerWaalsContact O-N 3.11Å; R21-E24 HydrophobicContact CB-CB 4.44Å; R21-E24 PolarHBondContact O-N 3.47Å; R21-A25 PolarHBondContact O-N 2.87Å
22P56.1Low57Low91 Ų9177.1 Ų77.159%0.59141%0.407SS*.Hα-helixtrans-53.1-37.9-177.7-25.832.4000113.7K26P22-K26 PolarHBondContact O-N 2.81Å
23A64.7Low56.7Low80 Ų8079 Ų7966%0.66142%0.417SS*.Hα-helixtrans-64.8-45.9176.700000112.7R21 K26 Q27R21-A23 PolarHBondContact O-N 3.37Å; R21-A23 VanDerWaalsContact O-N 3.11Å; A23-K26 PolarHBondContact O-N 2.97Å; A23-Q27 PolarHBondContact O-N 2.93Å
24E56.5Low56.3Low68 Ų6881.3 Ų81.332%0.31843%0.429SS..Hα-helixtrans-68.5-37178.1-126.6171.6110.900111.4T2 R21 Q27 R28T2-E24 PolarHBondContact OG1-OE1 3.43Å; R21-E24 HydrophobicContact CB-CB 4.44Å; R21-E24 PolarHBondContact O-N 3.47Å; E24-Q27 PolarHBondContact O-N 3.21Å; E24-R28 PolarHBondContact O-N 2.78Å
25A57.3Low56.3Low16 Ų1688.2 Ų88.213%0.13245%0.453CS..Hα-helixtrans-63.1-41.5174.800000111.3F20 R21 Q27 R28 F29F20-A25 HydrophobicContact CB-CB 3.79Å; R21-A25 PolarHBondContact O-N 2.87Å; A25-Q27 VanDerWaalsContact C-N 3.27Å; A25-Q27 PolarHBondContact O-N 2.92Å; A25-R28 PolarHBondContact O-N 3.35Å; A25-F29 CarbonylContact O-C 3.56Å; A25-F29 WeakPolarHBondContact O-CA 3.34Å; A25-F29 WeakPolarHBondContact O-CB 3.45Å; A25-F29 PolarHBondContact O-N 3.39Å
26K58.2Low56.1Low161 Ų16190.8 Ų90.870%0.748%0.48SS*.Hα-helixtrans-64.3-33.3176.1-168.7176.3-178.7-177.30112.1P22 A23 P30P22-K26 PolarHBondContact O-N 2.81Å; A23-K26 PolarHBondContact O-N 2.97Å; K26-P30 WeakPolarHBondContact O-CA 3.37Å; K26-P30 WeakPolarHBondContact O-CB 3.45Å
27Q60.2Low55.6Low161 Ų16194 Ų9475%0.75248%0.482SS*.Hα-helixtrans-72.4-40.9176.8-169.518012.800112.5A23 E24 A25A23-Q27 PolarHBondContact O-N 2.93Å; E24-Q27 PolarHBondContact O-N 3.21Å; A25-Q27 VanDerWaalsContact C-N 3.27Å; A25-Q27 PolarHBondContact O-N 2.92Å
28R51.8Low55Low157 Ų15797.9 Ų97.959%0.59250%0.5SS*.Hα-helixtrans-85.9-31.9-178.4-81.8-178149.2-164-5.1114.4F20 E24 A25 P30F20-R28 VanDerWaalsContact CE1-NH1 3.26Å; F20-R28 VanDerWaalsContact CZ-NH1 3.33Å; E24-R28 PolarHBondContact O-N 2.78Å; A25-R28 PolarHBondContact O-N 3.35Å; R28-P30 VanDerWaalsContact C-CD 3.48Å
29F58.4Low55.1Low54 Ų5497.5 Ų97.524%0.23750%0.501CS..  trans-132.262.2-175.1-50.7-78.4000110.5F20 A25 W31 I32 A39F20-F29 AromaticContact CD2-CE2 3.91Å; F20-F29 HydrophobicContact CD2-CE2 3.91Å; F20-F29 AromaticContact CE2-CE2 3.59Å; F20-F29 HydrophobicContact CE2-CE2 3.59Å; F20-F29 HydrophobicContact CE2-CZ 4.19Å; F20-F29 HydrophobicContact CZ-CE2 4.12Å; A25-F29 CarbonylContact O-C 3.56Å; A25-F29 WeakPolarHBondContact O-CA 3.34Å; A25-F29 WeakPolarHBondContact O-CB 3.45Å; A25-F29 PolarHBondContact O-N 3.39Å; F29-W31 HydrophobicContact CD1-CH2 4.05Å; F29-W31 AromaticContact CD1-CZ2 3.7Å; F29-W31 HydrophobicContact CD1-CZ2 3.7Å; F29-W31 PolarHBondContact O-N 2.91Å; F29-W31 VanDerWaalsContact O-N 3.13Å; F29-I32 HydrophobicContact CB-CB 3.88Å; F29-I32 HydrophobicContact CB-CD1 3.91Å; F29-I32 HydrophobicContact CB-CG1 3.91Å; F29-I32 HydrophobicContact CD1-CD1 4.23Å; F29-I32 HydrophobicContact CG-CD1 4.26Å; F29-I32 WeakPolarHBondContact O-CB 3.09Å; F29-I32 PolarHBondContact O-N 3.41Å; F29-A39 HydrophobicContact CE2-CB 4.5Å
30P58.5Low54.9Low88 Ų8896.8 Ų96.857%0.57150%0.496SS*.THydrogen-bonded Turntrans-62.1-23.2-176.424.3-34.4000113.4K26 R28 I32K26-P30 WeakPolarHBondContact O-CA 3.37Å; K26-P30 WeakPolarHBondContact O-CB 3.45Å; R28-P30 VanDerWaalsContact C-CD 3.48Å; P30-I32 PolarHBondContact O-N 3.48Å
31W51.2Low54.7Low190 Ų190101.5 Ų101.572%0.7252%0.522SS*.THydrogen-bonded Turntrans-76.1-11175.861.992.9000113.6F29F29-W31 HydrophobicContact CD1-CH2 4.05Å; F29-W31 AromaticContact CD1-CZ2 3.7Å; F29-W31 HydrophobicContact CD1-CZ2 3.7Å; F29-W31 PolarHBondContact O-N 2.91Å; F29-W31 VanDerWaalsContact O-N 3.13Å
32I54Low54.8Low60 Ų6096.1 Ų96.131%0.30851%0.507SS..  trans-101.586.6-176.9-61.8-165.8000107.5F29 P30 L34F29-I32 HydrophobicContact CB-CB 3.88Å; F29-I32 HydrophobicContact CB-CD1 3.91Å; F29-I32 HydrophobicContact CB-CG1 3.91Å; F29-I32 HydrophobicContact CD1-CD1 4.23Å; F29-I32 HydrophobicContact CG-CD1 4.26Å; F29-I32 WeakPolarHBondContact O-CB 3.09Å; F29-I32 PolarHBondContact O-N 3.41Å; P30-I32 PolarHBondContact O-N 3.48Å; I32-L34 HydrophobicContact CB-CD1 4.01Å; I32-L34 HydrophobicContact CG2-CB 4.14Å; I32-L34 HydrophobicContact CG2-CD1 3.12Å; I32-L34 HydrophobicContact CG2-CG 4.16Å; I32-L34 PolarHBondContact O-N 2.79Å
33A51.5Low54.7Low96 Ų9694.9 Ų94.979%0.79350%0.501SS*.  trans-74.965.3-173.200000114.6
34L49Very low54Low77 Ų7796.3 Ų96.340%0.40350%0.497SS..  trans-134.8130.8-154.3-74.8141.5000118.3I32 G36 R37I32-L34 HydrophobicContact CB-CD1 4.01Å; I32-L34 HydrophobicContact CG2-CB 4.14Å; I32-L34 HydrophobicContact CG2-CD1 3.12Å; I32-L34 HydrophobicContact CG2-CG 4.16Å; I32-L34 PolarHBondContact O-N 2.79Å; L34-G36 PolarHBondContact O-N 3.17Å; L34-R37 HydrophobicContact CB-CG 3.63Å; L34-R37 VanDerWaalsContact CD2-NE 3.3Å
35K52.8Low53.6Low216 Ų21696.8 Ų96.894%0.93951%0.512SS*.SBendtrans-66.385.8176.7-81.1-178.4173.2176.20111.1
36G50.6Low53.2Low54 Ų5497.1 Ų97.156%0.55752%0.515SS*.SBendtrans75.8101.5171.300000113.5L34L34-G36 PolarHBondContact O-N 3.17Å
37R50.6Low52.6Low117 Ų11793 Ų9344%0.44250%0.5SS..  trans-129.3130.8-173.7-73.1-153.1163.6-164.23.2116F20 L34F20-R37 PolarHBondContact N-O 2.98Å; L34-R37 HydrophobicContact CB-CG 3.63Å; L34-R37 VanDerWaalsContact CD2-NE 3.3Å
38L49Very low51.8Low94 Ų9491.5 Ų91.549%0.49249%0.491SS..EExtended strand (participates in β ladder)trans-77.9119.3157.8-175.974.7000107.9A17 V19 V40A17-L38 HydrophobicContact CB-CD1 3.65Å; A17-L38 HydrophobicContact CB-CD2 4.41Å; A17-L38 HydrophobicContact CB-CG 4.22Å; V19-L38 HydrophobicContact CB-CD1 4.46Å; V19-L38 HydrophobicContact CG2-CD1 3.36Å; L38-V40 HydrophobicContact CD2-CG2 3.6Å; L38-V40 HydrophobicContact CG-CG2 3.73Å
39A54.9Low51.6Low24 Ų2487.5 Ų87.520%0.19849%0.491CS..EExtended strand (participates in β ladder)trans-89.2124.7164.500000107.8A17 V18 F20 F29A17-A39 CarbonylContact C-O 3.59Å; A17-A39 WeakPolarHBondContact CA-O 3.36Å; V18-A39 PolarHBondContact N-O 2.96Å; V18-A39 PolarHBondContact O-N 3.13Å; F20-A39 HydrophobicContact CD2-CB 4.04Å; F20-A39 HydrophobicContact CE2-CB 3.71Å; F29-A39 HydrophobicContact CE2-CB 4.5Å
40V52.4Low50.7Low62 Ų6287 Ų8738%0.37649%0.492SS..EExtended strand (participates in β ladder)trans-112.4115.5176.9-1770000108.1F7 C15 A16 A17 L38F7-V40 HydrophobicContact CE1-CG1 3.8Å; F7-V40 HydrophobicContact CE1-CG2 4.36Å; F7-V40 HydrophobicContact CZ-CG1 3.66Å; C15-V40 HydrophobicContact CB-CG1 3.66Å; A16-V40 CarbonylContact O-C 3.49Å; A16-V40 WeakPolarHBondContact O-CA 3.46Å; A17-V40 HydrophobicContact CB-CG2 4.32Å; L38-V40 HydrophobicContact CD2-CG2 3.6Å; L38-V40 HydrophobicContact CG-CG2 3.73Å
41N52.8Low49.9Very low112 Ų11284.9 Ų84.960%0.59948%0.481SS*.EExtended strand (participates in β ladder)trans-103.2107.7167.5-79.1-71000108.2C15 A16C15-N41 CarbonylContact C-O 3.59Å; C15-N41 WeakPolarHBondContact CA-O 3.02Å; A16-N41 PolarHBondContact N-O 2.86Å; A16-N41 PolarHBondContact O-N 2.82Å
42C59.8Low49.4Very low40 Ų4083.7 Ų83.727%0.2748%0.484SS..EExtended strand (participates in β ladder)trans-84.1133.3165.9-58.60000108.5I13 C15 L44 I47I13-C42 HydrophobicContact CG2-CB 4.04Å; C15-C42 HydrophobicContact CB-CB 4.02Å; C15-C42 WeakPolarHBondContact CB-SG 3.44Å; C15-C42 WeakPolarHBondContact SG-CB 3.41Å; C15-C42 CovalentContact SG-SG 2.03Å; C15-C42 PolarHBondContact SG-SG 2.03Å; C42-L44 PolarHBondContact O-N 2.87Å; C42-I47 HydrophobicContact CB-CD1 4.27Å
43S54.7Low48.7Very low65 Ų6586 Ų8646%0.45550%0.497SS..  trans-55110.1174.4-520000108.5V14 A45 A46 I47V14-S43 PolarHBondContact O-N 2.75Å; V14-S43 PolarHBondContact O-OG 3.41Å; S43-A45 PolarHBondContact O-N 3.29Å; S43-A45 VanDerWaalsContact O-N 3.13Å; S43-A46 WeakPolarHBondContact O-CB 3.47Å; S43-A46 PolarHBondContact O-N 3.13Å; S43-I47 PolarHBondContact O-N 2.91Å
44L49.9Very low48.3Very low111 Ų11187.1 Ų87.158%0.58148%0.481SS*.Hα-helixtrans-52.9-36.9178.5-125.491.1000110.3C42 A46 I47 F48C42-L44 PolarHBondContact O-N 2.87Å; L44-A46 PolarHBondContact O-N 2.83Å; L44-A46 VanDerWaalsContact O-N 3.14Å; L44-I47 CarbonylContact O-C 3.52Å; L44-I47 WeakPolarHBondContact O-CA 3.42Å; L44-I47 WeakPolarHBondContact O-CB 3.28Å; L44-I47 PolarHBondContact O-N 3.47Å; L44-F48 HydrophobicContact CB-CD2 4.31Å; L44-F48 HydrophobicContact CD2-CD2 3.84Å; L44-F48 HydrophobicContact CD2-CE2 3.3Å; L44-F48 HydrophobicContact CD2-CZ 4.28Å; L44-F48 HydrophobicContact CG-CD2 3.97Å; L44-F48 HydrophobicContact CG-CE2 3.76Å; L44-F48 WeakPolarHBondContact O-CD2 3.04Å; L44-F48 PolarHBondContact O-N 2.82Å
45A48.5Very low47.7Very low78 Ų7886.5 Ų86.565%0.64549%0.488SS*.Hα-helixtrans-51.1-37.3174.800000113.1S43 A49S43-A45 PolarHBondContact O-N 3.29Å; S43-A45 VanDerWaalsContact O-N 3.13Å; A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 3Å
46A47.6Very low47.3Very low23 Ų2380.2 Ų80.219%0.1947%0.471CS..Hα-helixtrans-77.4-31.2176.500000112.7I13 S43 L44 N50I13-A46 HydrophobicContact CB-CB 4.18Å; I13-A46 HydrophobicContact CG1-CB 3.97Å; I13-A46 HydrophobicContact CG2-CB 4.23Å; S43-A46 WeakPolarHBondContact O-CB 3.47Å; S43-A46 PolarHBondContact O-N 3.13Å; L44-A46 PolarHBondContact O-N 2.83Å; L44-A46 VanDerWaalsContact O-N 3.14Å; A46-N50 PolarHBondContact O-N 3.22Å
47I47.4Very low46.8Very low75 Ų7580.5 Ų80.539%0.38547%0.468SS..Hα-helixtrans-64.5-46.4171.1-57175.7000109.6I13 C42 S43 L44 A51I13-I47 HydrophobicContact CD1-CG1 4.47Å; C42-I47 HydrophobicContact CB-CD1 4.27Å; S43-I47 PolarHBondContact O-N 2.91Å; L44-I47 CarbonylContact O-C 3.52Å; L44-I47 WeakPolarHBondContact O-CA 3.42Å; L44-I47 WeakPolarHBondContact O-CB 3.28Å; L44-I47 PolarHBondContact O-N 3.47Å; I47-A51 VanDerWaalsContact O-CB 3.26Å; I47-A51 WeakPolarHBondContact O-CB 3.49Å; I47-A51 PolarHBondContact O-N 3.22Å
48F43Very low46Very low129 Ų12977.2 Ų77.257%0.56646%0.46SS*.Hα-helixtrans-76.5-38-176.3-82.7-90.8000113.6L44 N50 A51 Q52L44-F48 HydrophobicContact CB-CD2 4.31Å; L44-F48 HydrophobicContact CD2-CD2 3.84Å; L44-F48 HydrophobicContact CD2-CE2 3.3Å; L44-F48 HydrophobicContact CD2-CZ 4.28Å; L44-F48 HydrophobicContact CG-CD2 3.97Å; L44-F48 HydrophobicContact CG-CE2 3.76Å; L44-F48 WeakPolarHBondContact O-CD2 3.04Å; L44-F48 PolarHBondContact O-N 2.82Å; F48-N50 PolarHBondContact O-N 2.85Å; F48-A51 PolarHBondContact O-N 2.91Å; F48-Q52 PolarHBondContact O-N 3.14Å; F48-Q52 VanDerWaalsContact O-N 3.09Å
49A47Very low45.4Very low72 Ų7277.5 Ų77.560%0.59547%0.47SS*.Hα-helixtrans-58.4-39.7175.200000110.9A45A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 3Å
50N38.8Very low44.9Very low45 Ų4583.5 Ų83.524%0.24150%0.498CS..Hα-helixtrans-79.7-31.2173.3-120.7-40.3000112.3N11 A46 F48 Q52 D53 Y54N11-N50 PolarHBondContact O-ND2 2.86Å; A46-N50 PolarHBondContact O-N 3.22Å; F48-N50 PolarHBondContact O-N 2.85Å; N50-Q52 VanDerWaalsContact C-N 3.29Å; N50-Q52 PolarHBondContact O-N 3Å; N50-D53 PolarHBondContact O-N 3.4Å; N50-D53 VanDerWaalsContact O-N 3.13Å; N50-Y54 HydrophobicContact CB-CD2 4.2Å; N50-Y54 HydrophobicContact CB-CE2 4.32Å; N50-Y54 WeakPolarHBondContact O-CB 3.15Å; N50-Y54 WeakPolarHBondContact O-CD2 3.4Å; N50-Y54 PolarHBondContact O-N 2.82Å
51A43.2Very low44.7Very low43 Ų4387.6 Ų87.636%0.35551%0.51SS..Hα-helixtrans-63.1-30.1178.200000113.5I47 F48 Y54 A55I47-A51 VanDerWaalsContact O-CB 3.26Å; I47-A51 WeakPolarHBondContact O-CB 3.49Å; I47-A51 PolarHBondContact O-N 3.22Å; F48-A51 PolarHBondContact O-N 2.91Å; A51-Y54 CarbonylContact O-C 3.54Å; A51-A55 VanDerWaalsContact O-CB 3.29Å; A51-A55 WeakPolarHBondContact O-CB 3.08Å; A51-A55 PolarHBondContact O-N 3.43Å
52Q40.6Very low44.2Very low164 Ų16485 Ų8577%0.76650%0.498SS*.Hα-helixtrans-70.3-38.5172.3-80.5-169.2-24.700112.2F48 N50 A55 S56F48-Q52 PolarHBondContact O-N 3.14Å; F48-Q52 VanDerWaalsContact O-N 3.09Å; N50-Q52 VanDerWaalsContact C-N 3.29Å; N50-Q52 PolarHBondContact O-N 3Å; Q52-A55 PolarHBondContact O-N 3.23Å; Q52-S56 PolarHBondContact O-N 3Å
53D39.5Very low43.3Very low110 Ų11090.9 Ų90.959%0.58852%0.522SS*.Hα-helixtrans-66.4-44.8173.3-131.6-56.7000110.6N50 A55 S56 A57N50-D53 PolarHBondContact O-N 3.4Å; N50-D53 VanDerWaalsContact O-N 3.13Å; D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 PolarHBondContact O-N 3.07Å; D53-S56 PolarHBondContact O-N 3.34Å; D53-S56 PolarHBondContact O-OG 3.32Å; D53-A57 PolarHBondContact O-N 3.14Å
54Y42.4Very low42.6Very low118 Ų11895.3 Ų95.346%0.46354%0.535SS..Hα-helixtrans-60.8-36.9171.1-83.8-75.5000112N50 A51 S56 A57 V58N50-Y54 HydrophobicContact CB-CD2 4.2Å; N50-Y54 HydrophobicContact CB-CE2 4.32Å; N50-Y54 WeakPolarHBondContact O-CB 3.15Å; N50-Y54 WeakPolarHBondContact O-CD2 3.4Å; N50-Y54 PolarHBondContact O-N 2.82Å; A51-Y54 CarbonylContact O-C 3.54Å; Y54-S56 PolarHBondContact O-N 2.77Å; Y54-A57 CarbonylContact O-C 3.58Å; Y54-A57 PolarHBondContact O-N 3.09Å; Y54-V58 HydrophobicContact CD1-CG2 4.14Å; Y54-V58 WeakPolarHBondContact O-CA 3.14Å; Y54-V58 WeakPolarHBondContact O-CB 3.26Å; Y54-V58 WeakPolarHBondContact O-CG2 3.36Å; Y54-V58 PolarHBondContact O-N 3.32Å
55A37.4Very low42Very low65 Ų6594.4 Ų94.454%0.53753%0.531SS..Hα-helixtrans-58.3-36179.400000111.4A51 Q52 D53 S59A51-A55 VanDerWaalsContact O-CB 3.29Å; A51-A55 WeakPolarHBondContact O-CB 3.08Å; A51-A55 PolarHBondContact O-N 3.43Å; Q52-A55 PolarHBondContact O-N 3.23Å; D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 PolarHBondContact O-N 3.07Å; A55-S59 PolarHBondContact O-N 3.4Å
56S42.7Very low41.9Very low84 Ų8497 Ų9759%0.58753%0.527SS*.Hα-helixtrans-71.9-41174.177.50000112.7Q52 D53 Y54 V58Q52-S56 PolarHBondContact O-N 3Å; D53-S56 PolarHBondContact O-N 3.34Å; D53-S56 PolarHBondContact O-OG 3.32Å; Y54-S56 PolarHBondContact O-N 2.77Å; S56-V58 VanDerWaalsContact C-N 3.35Å; S56-V58 PolarHBondContact O-N 3.34Å
57A40.3Very low41.4Very low60 Ų60103.6 Ų103.650%0.49656%0.556SS.*Hα-helixtrans-74-24.3177.300000113.7D53 Y54D53-A57 PolarHBondContact O-N 3.14Å; Y54-A57 CarbonylContact O-C 3.58Å; Y54-A57 PolarHBondContact O-N 3.09Å
58V33.9Very low40.8Very low47 Ų47102.4 Ų102.429%0.28556%0.558SS.*Hα-helixtrans-88.2-17.9-173174.40000110.7Y54 S56 I60 K61 V62Y54-V58 HydrophobicContact CD1-CG2 4.14Å; Y54-V58 WeakPolarHBondContact O-CA 3.14Å; Y54-V58 WeakPolarHBondContact O-CB 3.26Å; Y54-V58 WeakPolarHBondContact O-CG2 3.36Å; Y54-V58 PolarHBondContact O-N 3.32Å; S56-V58 VanDerWaalsContact C-N 3.35Å; S56-V58 PolarHBondContact O-N 3.34Å; V58-I60 PolarHBondContact O-N 2.81Å; V58-K61 PolarHBondContact O-N 2.54Å; V58-V62 HydrophobicContact CB-CG2 4.48Å; V58-V62 HydrophobicContact CG1-CG2 3.39Å; V58-V62 WeakPolarHBondContact O-CG2 3.48Å; V58-V62 PolarHBondContact O-N 3.43Å
59S37.7Very low40.6Very low100 Ų10099.4 Ų99.470%0.69955%0.55SS**THydrogen-bonded Turntrans-58.8-19.6174.6-153.90000113.8A55A55-S59 PolarHBondContact O-N 3.4Å
60I44.5Very low40.1Very low151 Ų151103.6 Ų103.677%0.77456%0.555SS**THydrogen-bonded Turntrans-90.9-22.5174.8-59.6176.6000112.3V58V58-I60 PolarHBondContact O-N 2.81Å
61K47.2Very low39.9Very low147 Ų147104.3 Ų104.364%0.63957%0.567SS**THydrogen-bonded Turntrans-102-11.7-178-71.3-176.1178.7178.10114.3V58 E63 Q64 L65V58-K61 PolarHBondContact O-N 2.54Å; K61-E63 VanDerWaalsContact C-N 3.3Å; K61-E63 PolarHBondContact O-N 3.41Å; K61-Q64 PolarHBondContact O-N 2.96Å; K61-Q64 VanDerWaalsContact O-N 3.16Å; K61-L65 WeakPolarHBondContact O-CB 3.43Å; K61-L65 PolarHBondContact O-N 3.29Å
62V43.4Very low39.7Very low57 Ų57106.5 Ų106.535%0.34558%0.58SS.*Hα-helixtrans-62.1-33.7-177169.90000112.6V58 Q64 K66V58-V62 HydrophobicContact CB-CG2 4.48Å; V58-V62 HydrophobicContact CG1-CG2 3.39Å; V58-V62 WeakPolarHBondContact O-CG2 3.48Å; V58-V62 PolarHBondContact O-N 3.43Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 3.31Å; V62-K66 HydrophobicContact CG1-CD 4.27Å; V62-K66 HydrophobicContact CG1-CG 4.32Å; V62-K66 WeakPolarHBondContact O-CB 3.32Å; V62-K66 WeakPolarHBondContact O-CG 3.21Å; V62-K66 PolarHBondContact O-N 3.19Å
63E38.8Very low39.4Very low165 Ų165107.4 Ų107.477%0.77158%0.577SS**Hα-helixtrans-65.7-37.4176.3-103.2-167101.900112.7K61K61-E63 VanDerWaalsContact C-N 3.3Å; K61-E63 PolarHBondContact O-N 3.41Å
64Q41Very low39.6Very low157 Ų157105.9 Ų105.973%0.73458%0.575SS**Hα-helixtrans-83.1-32.9178.4-66.1-171.2-17.200112.6K61 V62 K66 M67 A68K61-Q64 PolarHBondContact O-N 2.96Å; K61-Q64 VanDerWaalsContact O-N 3.16Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 3.31Å; Q64-K66 VanDerWaalsContact C-N 3.29Å; Q64-K66 PolarHBondContact O-N 3.2Å; Q64-M67 PolarHBondContact O-N 3.01Å; Q64-M67 VanDerWaalsContact O-N 3.11Å; Q64-A68 PolarHBondContact O-N 3.13Å
65L37.1Very low39.1Very low92 Ų92107.3 Ų107.348%0.48259%0.59SS.*Hα-helixtrans-72.8-23.7174.3-157.780.1000111.7K61 M67 A68 T69K61-L65 WeakPolarHBondContact O-CB 3.43Å; K61-L65 PolarHBondContact O-N 3.29Å; L65-M67 PolarHBondContact O-N 3.44Å; L65-A68 HydrophobicContact CD1-CB 4.29Å; L65-A68 PolarHBondContact O-N 3.27Å; L65-T69 WeakPolarHBondContact CG-OG1 3.44Å; L65-T69 WeakPolarHBondContact O-CB 3.5Å; L65-T69 PolarHBondContact O-N 2.73Å; L65-T69 PolarHBondContact O-OG1 2.87Å
66K47.5Very low39Very low133 Ų133108 Ų10858%0.57859%0.592SS**Hα-helixtrans-56-43165.6-81.9169.4-178.41770110V62 Q64 F70V62-K66 HydrophobicContact CG1-CD 4.27Å; V62-K66 HydrophobicContact CG1-CG 4.32Å; V62-K66 WeakPolarHBondContact O-CB 3.32Å; V62-K66 WeakPolarHBondContact O-CG 3.21Å; V62-K66 PolarHBondContact O-N 3.19Å; Q64-K66 VanDerWaalsContact C-N 3.29Å; Q64-K66 PolarHBondContact O-N 3.2Å; K66-F70 WeakPolarHBondContact O-CB 3.18Å; K66-F70 PolarHBondContact O-N 3.49Å
67M35.3Very low38.6Very low161 Ų161110 Ų11079%0.79359%0.592SS**Hα-helixtrans-67.2-39175.7-71.4-164.7171.600113.1Q64 L65 A71Q64-M67 PolarHBondContact O-N 3.01Å; Q64-M67 VanDerWaalsContact O-N 3.11Å; L65-M67 PolarHBondContact O-N 3.44Å; M67-A71 WeakPolarHBondContact O-CB 2.95Å; M67-A71 PolarHBondContact O-N 3.37Å
68A36.1Very low38.4Very low50 Ų50118.3 Ų118.341%0.41361%0.61SS.*Hα-helixtrans-76.5-42.1-178.700000113.8Q64 L65 A71 S72Q64-A68 PolarHBondContact O-N 3.13Å; L65-A68 HydrophobicContact CD1-CB 4.29Å; L65-A68 PolarHBondContact O-N 3.27Å; A68-A71 PolarHBondContact O-N 3.06Å; A68-S72 PolarHBondContact O-N 2.68Å; A68-S72 PolarHBondContact O-OG 2.73Å
69T39.2Very low38.5Very low67 Ų67121.9 Ų121.941%0.41163%0.626SS.*Hα-helixtrans-81.3-30.2179.7-55.30000112.1L65 A71 S72 Y73L65-T69 WeakPolarHBondContact CG-OG1 3.44Å; L65-T69 WeakPolarHBondContact O-CB 3.5Å; L65-T69 PolarHBondContact O-N 2.73Å; L65-T69 PolarHBondContact O-OG1 2.87Å; T69-A71 PolarHBondContact O-N 3.22Å; T69-S72 PolarHBondContact O-N 2.75Å; T69-Y73 WeakPolarHBondContact O-CA 3.35Å; T69-Y73 WeakPolarHBondContact O-CB 3.01Å; T69-Y73 PolarHBondContact O-N 2.9Å
70F35.3Very low38.2Very low160 Ų160121.2 Ų121.270%0.70262%0.618SS**Hα-helixtrans-61.3-40.9167.7-141.1-89.6000109K66 S74K66-F70 WeakPolarHBondContact O-CB 3.18Å; K66-F70 PolarHBondContact O-N 3.49Å; F70-S74 WeakPolarHBondContact O-CB 3.29Å; F70-S74 PolarHBondContact O-N 3.39Å; F70-S74 PolarHBondContact O-OG 3.26Å
71A35.6Very low37.7Very low60 Ų60124.7 Ų124.750%0.49662%0.621SS.*Hα-helixtrans-64.8-43.8175.600000113.9M67 A68 T69M67-A71 WeakPolarHBondContact O-CB 2.95Å; M67-A71 PolarHBondContact O-N 3.37Å; A68-A71 PolarHBondContact O-N 3.06Å; T69-A71 PolarHBondContact O-N 3.22Å
72S37.4Very low37.1Very low88 Ų88125.6 Ų125.662%0.61563%0.628SS**Hα-helixtrans-80.2-31.3-178.4-56.10000114.3A68 T69A68-S72 PolarHBondContact O-N 2.68Å; A68-S72 PolarHBondContact O-OG 2.73Å; T69-S72 PolarHBondContact O-N 2.75Å
73Y35.8Very low36.9Very low183 Ų183129.1 Ų129.172%0.71865%0.652SS**Hα-helixtrans-89.4-24.1-178.1-145.9-98.3000112.6T69 L75 S76T69-Y73 WeakPolarHBondContact O-CA 3.35Å; T69-Y73 WeakPolarHBondContact O-CB 3.01Å; T69-Y73 PolarHBondContact O-N 2.9Å; Y73-L75 PolarHBondContact O-N 3.2Å; Y73-S76 PolarHBondContact O-N 3.11Å
74S43.8Very low37.2Very low78 Ų78126.7 Ų126.755%0.54565%0.651SS.*THydrogen-bonded Turntrans-70.4-13.617561.20000114.1F70F70-S74 WeakPolarHBondContact O-CB 3.29Å; F70-S74 PolarHBondContact O-N 3.39Å; F70-S74 PolarHBondContact O-OG 3.26Å
75L31Very low36.8Very low148 Ų148124.2 Ų124.278%0.77565%0.65SS**THydrogen-bonded Turntrans-102.6-8.3174.4-103.6145.6000114.3Y73 H77Y73-L75 PolarHBondContact O-N 3.2Å; L75-H77 VanDerWaalsContact C-N 3.25Å; L75-H77 PolarHBondContact O-N 3.3Å; L75-H77 VanDerWaalsContact O-N 3.14Å
76S35.2Very low37Very low81 Ų81126.6 Ų126.657%0.56667%0.672SS**SBendtrans-94.259.4176.7-65.80000111.5Y73 R78Y73-S76 PolarHBondContact O-N 3.11Å; S76-R78 PolarHBondContact O-N 2.89Å
77H35.4Very low36.6Very low126 Ų126123.8 Ų123.858%0.58368%0.68SS**  trans49.974.7131.6-176.9-73.1000114.8L75 I79L75-H77 VanDerWaalsContact C-N 3.25Å; L75-H77 PolarHBondContact O-N 3.3Å; L75-H77 VanDerWaalsContact O-N 3.14Å; H77-I79 HydrophobicContact CB-CG1 4.32Å; H77-I79 VanDerWaalsContact CD2-CB 3.49Å; H77-I79 WeakPolarHBondContact CD2-CB 3.12Å; H77-I79 WeakPolarHBondContact CD2-CD1 3.02Å; H77-I79 WeakPolarHBondContact CD2-CG1 3.43Å; H77-I79 VanDerWaalsContact CE1-CB 3.42Å; H77-I79 WeakPolarHBondContact CE1-CB 3.4Å; H77-I79 PolarHBondContact ND1-N 3.4Å; H77-I79 VanDerWaalsContact NE2-CB 3.28Å; H77-I79 WeakPolarHBondContact NE2-CB 3.2Å; H77-I79 WeakPolarHBondContact NE2-CD1 3.06Å; H77-I79 PolarHBondContact O-N 3.49Å
78R34.5Very low36.7Very low233 Ų233119.7 Ų119.788%0.87968%0.679SS**  trans-74.245.4139.7-155.9-172.5-157.5-141.58.8109.9S76 T80S76-R78 PolarHBondContact O-N 2.89Å; R78-T80 PolarHBondContact O-N 2.99Å
79I37.7Very low37.1Very low123 Ų123122 Ų12263%0.63170%0.698SS**  trans-76.276.4159.1-47.4-177.7000105.3H77H77-I79 HydrophobicContact CB-CG1 4.32Å; H77-I79 VanDerWaalsContact CD2-CB 3.49Å; H77-I79 WeakPolarHBondContact CD2-CB 3.12Å; H77-I79 WeakPolarHBondContact CD2-CD1 3.02Å; H77-I79 WeakPolarHBondContact CD2-CG1 3.43Å; H77-I79 VanDerWaalsContact CE1-CB 3.42Å; H77-I79 WeakPolarHBondContact CE1-CB 3.4Å; H77-I79 PolarHBondContact ND1-N 3.4Å; H77-I79 VanDerWaalsContact NE2-CB 3.28Å; H77-I79 WeakPolarHBondContact NE2-CB 3.2Å; H77-I79 WeakPolarHBondContact NE2-CD1 3.06Å; H77-I79 PolarHBondContact O-N 3.49Å
80T31.3Very low37.4Very low86 Ų86125.5 Ų125.553%0.52871%0.714SS.*  trans-70.2122.2161.5-60.20000105.1R78R78-T80 PolarHBondContact O-N 2.99Å
81R33.5Very low37.6Very low224 Ų224121.8 Ų121.885%0.84572%0.721SS**SBendtrans50.4106.1156.2-56177.6-176.1-146.21.4113.6
82E33.4Very low37.6Very low166 Ų166123.3 Ų123.378%0.77672%0.724SS**  -149.7148.869.5-54.5-162.389.200109.4P84E82-P84 WeakPolarHBondContact O-CD 3.39Å
83P40.7Very low37.8Very low130 Ų130124.8 Ų124.884%0.84473%0.726SS**  trans-73106.2165.328.5-29.9000109.5S85P83-S85 PolarHBondContact O-N 2.92Å
84P45Very low38.4Very low115 Ų115124.2 Ų124.275%0.74773%0.729SS**  trans-89106.9169.58.415.9000106.9E82E82-P84 WeakPolarHBondContact O-CD 3.39Å
85S32.1Very low38Very low104 Ų104133.3 Ų133.373%0.72777%0.766SS**  trans57.9114.5139-57.90000119.8P83 G87P83-S85 PolarHBondContact O-N 2.92Å; S85-G87 PolarHBondContact O-N 3.32Å
86P41.9Very low38.4Very low143 Ų143132.6 Ų132.693%0.92977%0.766SS**SBendtrans-70.9108165.930.1-30.1000109.6
87G37.5Very low38.6Very low74 Ų74135.3 Ų135.376%0.76378%0.776SS**  trans179.1132.8173.600000112.6S85S85-G87 PolarHBondContact O-N 3.32Å
88G38.7Very low38.7Very low74 Ų74135.8 Ų135.876%0.76379%0.787SS**  trans98.396.3158.900000114.4N90G88-N90 PolarHBondContact O-N 3.46Å
89A45.1Very low39Very low99 Ų99130.1 Ų130.182%0.81878%0.782SS**  trans-46.6129.1150.500000109.7
90N44.5Very low39.1Very low141 Ų141130.5 Ų130.575%0.75479%0.791SS**  trans-140.373.2161.6-122.8-11.4000108.1G88 T92G88-N90 PolarHBondContact O-N 3.46Å; N90-T92 VanDerWaalsContact C-N 3.33Å; N90-T92 PolarHBondContact OD1-O 3.16Å; N90-T92 PolarHBondContact OD1-OG1 2.82Å
91G39.5Very low39.6Very low82 Ų82133.5 Ų133.585%0.84581%0.809SS**  trans-10263.6155.600000107.2
92T35.9Very low40Very low91 Ų91127 Ų12756%0.55881%0.806SS**  trans-162.1132.1178.924.50000102.3N90N90-T92 VanDerWaalsContact C-N 3.33Å; N90-T92 PolarHBondContact OD1-O 3.16Å; N90-T92 PolarHBondContact OD1-OG1 2.82Å
93D42Very low40.5Very low120 Ų120124 Ų12464%0.64281%0.808SS**  cis-164.5151.510.9-143.4-53.7000103.9
94E46.8Very low40.5Very low170 Ų170123.5 Ų123.579%0.79481%0.805SS**  trans44.5106.2152.4-74.8169.9141.700121.5
95M37.3Very low40.1Very low269 Ų269124.3 Ų124.3100%1.32581%0.811SS**  169.40117.9-91.8-175-177.300111.9

Retrieved 95 of 95 residues in 33.3 ms (Link to these results)