A0A077YZ67_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZ67, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 131 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
1M30.7Very low43.9Very low227 Ų227125.5 Ų125.5100%1.11865%0.651SS**  0127.20-72.3173.6171.300107.4K3M1-K3 PolarHBondContact O-N 3.43Å
2P40Very low44.9Very low130 Ų130120.5 Ų120.584%0.84463%0.626SS**PPolyproline II helixtrans-58.4128.516724.3-28.9000107.7
3K39.4Very low46.1Very low180 Ų180123 Ų12378%0.78363%0.633SS**PPolyproline II helixtrans-59.1145.8178.5-72.7177.1-179.1172.20108.7M1 L5M1-K3 PolarHBondContact O-N 3.43Å; K3-L5 PolarHBondContact O-N 3.07Å
4P43.3Very low47.8Very low72 Ų72121.6 Ų121.647%0.46863%0.627SS.*PPolyproline II helixtrans-58.1123.3171.9-14.426.6000109.3W6 C7P4-W6 HydrophobicContact CB-CG 4.34Å; P4-W6 PolarHBondContact O-N 3.47Å; P4-C7 PolarHBondContact O-N 3.16Å
5L47.2Very low49.3Very low68 Ų68113.7 Ų113.736%0.35659%0.587SS.*G310 helixtrans-53.9-12.4-172-84.2154.9000116.3K3 C7 W8 E119K3-L5 PolarHBondContact O-N 3.07Å; L5-C7 PolarHBondContact O-N 3.48Å; L5-W8 WeakPolarHBondContact O-CB 3.44Å; L5-E119 VanDerWaalsContact CD2-CD 3.44Å; L5-E119 WeakPolarHBondContact CD2-OE1 3.29Å; L5-E119 WeakPolarHBondContact CD2-OE2 3.37Å
6W44.7Very low50.8Low239 Ų239115.1 Ų115.191%0.90559%0.587SS**G310 helixtrans-81-6179.228.1-45.5000111.7P4 W8P4-W6 HydrophobicContact CB-CG 4.34Å; P4-W6 PolarHBondContact O-N 3.47Å; W6-W8 VanDerWaalsContact C-N 3.33Å
7C43Very low52.6Low87 Ų87111.4 Ų111.459%0.58857%0.574SS**G310 helixtrans-89.610.3171.4-57.40000113.8P4 L5P4-C7 PolarHBondContact O-N 3.16Å; L5-C7 PolarHBondContact O-N 3.48Å
8W44.1Very low54.2Low59 Ų59106.2 Ų106.222%0.22355%0.547CS..  trans-87.7125.4-172.4-168.274.7000112.2L5 W6 D12 V15 N115L5-W8 WeakPolarHBondContact O-CB 3.44Å; W6-W8 VanDerWaalsContact C-N 3.33Å; W8-D12 HydrophobicContact CZ2-CB 3.9Å; W8-D12 VanDerWaalsContact NE1-CB 3.33Å; W8-D12 VanDerWaalsContact NE1-CG 3.32Å; W8-D12 PolarHBondContact NE1-OD2 3.06Å; W8-V15 HydrophobicContact CH2-CG2 4.08Å; W8-V15 HydrophobicContact CZ2-CB 4.48Å; W8-V15 HydrophobicContact CZ2-CG2 3.48Å; W8-V15 VanDerWaalsContact CZ2-CG2 3.48Å; W8-N115 HydrophobicContact CE3-CB 4Å; W8-N115 HydrophobicContact CH2-CB 3.06Å; W8-N115 VanDerWaalsContact CH2-CG 3.41Å; W8-N115 WeakPolarHBondContact CH2-ND2 3.41Å; W8-N115 HydrophobicContact CZ2-CB 4.09Å; W8-N115 HydrophobicContact CZ3-CB 3.01Å; W8-N115 VanDerWaalsContact CZ3-ND2 3.29Å; W8-N115 WeakPolarHBondContact CZ3-ND2 3.48Å
9T51.7Low55.6Low107 Ų107102.4 Ų102.466%0.65653%0.528SS*.  trans-100.611.8-164.453.10000115.6E11T9-E11 VanDerWaalsContact C-N 3.29Å; T9-E11 PolarHBondContact O-N 3.45Å
10G48.1Very low56.9Low41 Ų41105.1 Ų105.142%0.42354%0.535SS..SBendtrans86.9-12.7174.200000116.1
11E50.7Low58.1Low170 Ų170105.2 Ų105.279%0.79453%0.532SS*.  trans-102.4-4.9-171.6-64.9-171.4155.600114.3T9 E13T9-E11 VanDerWaalsContact C-N 3.29Å; T9-E11 PolarHBondContact O-N 3.45Å; E11-E13 PolarHBondContact O-N 3.14Å; E11-E13 VanDerWaalsContact O-N 3.14Å
12D55.2Low60.7Low66 Ų6694.4 Ų94.435%0.35348%0.479SS..  trans-71.7116.9-169.7-70.1-21.7000112W8 D14 V15W8-D12 HydrophobicContact CZ2-CB 3.9Å; W8-D12 VanDerWaalsContact NE1-CB 3.33Å; W8-D12 VanDerWaalsContact NE1-CG 3.32Å; W8-D12 PolarHBondContact NE1-OD2 3.06Å; D12-D14 HydrophobicContact CB-CB 3.99Å; D12-D14 PolarHBondContact O-N 3.27Å; D12-V15 PolarHBondContact O-N 3.22Å
13E61.1Low62.9Low153 Ų15392.5 Ų92.572%0.71546%0.459SS*.Hα-helixtrans-44.8-21160.7-70-106.4128.900112.8E11 K16 S17E11-E13 PolarHBondContact O-N 3.14Å; E11-E13 VanDerWaalsContact O-N 3.14Å; E13-K16 PolarHBondContact O-N 2.81Å; E13-S17 WeakPolarHBondContact O-CB 3.48Å; E13-S17 PolarHBondContact O-N 3.4Å
14D69.9Low65Low103 Ų10384.9 Ų84.955%0.55143%0.427SS*.Hα-helixtrans-59-44.6178.9-67.8-18.5000113.2D12 K16 S17 D18D12-D14 HydrophobicContact CB-CB 3.99Å; D12-D14 PolarHBondContact O-N 3.27Å; D14-K16 PolarHBondContact O-N 2.86Å; D14-S17 CarbonylContact O-C 3.58Å; D14-S17 WeakPolarHBondContact O-CA 3.47Å; D14-S17 VanDerWaalsContact O-CB 3.27Å; D14-S17 WeakPolarHBondContact O-CB 3.36Å; D14-S17 PolarHBondContact O-N 3.42Å; D14-S17 VanDerWaalsContact O-N 3.15Å; D14-D18 WeakPolarHBondContact O-CB 3.37Å; D14-D18 PolarHBondContact O-N 2.82Å
15V70.6Confident67.2Low4 Ų484.8 Ų84.82%0.02443%0.425CS..Hα-helixtrans-70.2-36.3-179.6-174.30000111W8 D12 S17 D18 L19 L110 A118W8-V15 HydrophobicContact CH2-CG2 4.08Å; W8-V15 HydrophobicContact CZ2-CB 4.48Å; W8-V15 HydrophobicContact CZ2-CG2 3.48Å; W8-V15 VanDerWaalsContact CZ2-CG2 3.48Å; D12-V15 PolarHBondContact O-N 3.22Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-D18 PolarHBondContact O-N 2.92Å; V15-L19 WeakPolarHBondContact O-CB 3.27Å; V15-L19 PolarHBondContact O-N 3.11Å; V15-L110 HydrophobicContact CB-CD2 4.47Å; V15-L110 HydrophobicContact CG1-CD1 4.42Å; V15-L110 HydrophobicContact CG1-CD2 3.54Å; V15-L110 HydrophobicContact CG1-CG 4.31Å; V15-A118 HydrophobicContact CG1-CB 3.97Å
16K73.6Confident69.1Low135 Ų13587.5 Ų87.559%0.58744%0.44SS*.Hα-helixtrans-65.5-37.4172-71-178.5-177.2168.50111.2E13 D14 K20E13-K16 PolarHBondContact O-N 2.81Å; D14-K16 PolarHBondContact O-N 2.86Å; K16-K20 WeakPolarHBondContact O-CG 2.79Å; K16-K20 PolarHBondContact O-N 3.26Å; K16-K20 VanDerWaalsContact O-N 3.15Å
17S81.1Confident71.1Confident52 Ų5282.5 Ų82.536%0.36443%0.426SS..Hα-helixtrans-63.2-43.8173.3-173.80000111E13 D14 V15 K20 K21E13-S17 WeakPolarHBondContact O-CB 3.48Å; E13-S17 PolarHBondContact O-N 3.4Å; D14-S17 CarbonylContact O-C 3.58Å; D14-S17 WeakPolarHBondContact O-CA 3.47Å; D14-S17 VanDerWaalsContact O-CB 3.27Å; D14-S17 WeakPolarHBondContact O-CB 3.36Å; D14-S17 PolarHBondContact O-N 3.42Å; D14-S17 VanDerWaalsContact O-N 3.15Å; V15-S17 VanDerWaalsContact C-N 3.31Å; S17-K20 WeakPolarHBondContact O-CB 3.36Å; S17-K20 PolarHBondContact O-N 3.06Å; S17-K21 WeakPolarHBondContact O-CG 3.17Å; S17-K21 PolarHBondContact O-N 2.77Å; S17-K21 VanDerWaalsContact O-N 3.17Å
18D80.3Confident73.1Confident18 Ų1880.8 Ų80.810%0.09641%0.41CS..Hα-helixtrans-66.6-39.4177.2-74.1-14.7000112.4D14 V15 K20 K21 V22 M106 Y122D14-D18 WeakPolarHBondContact O-CB 3.37Å; D14-D18 PolarHBondContact O-N 2.82Å; V15-D18 PolarHBondContact O-N 2.92Å; D18-K20 VanDerWaalsContact C-N 3.31Å; D18-K20 PolarHBondContact O-N 3.22Å; D18-K21 WeakPolarHBondContact O-CB 3.29Å; D18-K21 PolarHBondContact O-N 2.82Å; D18-K21 IonicContact OD1-NZ 3.97Å; D18-K21 PolarHBondContact OD1-NZ 2.84Å; D18-V22 PolarHBondContact O-N 2.94Å; D18-M106 HydrophobicContact CB-CE 3.99Å; D18-Y122 HydrophobicContact CB-CD1 3.8Å; D18-Y122 HydrophobicContact CB-CD2 4.41Å; D18-Y122 HydrophobicContact CB-CE1 4.13Å; D18-Y122 HydrophobicContact CB-CG 3.96Å; D18-Y122 VanDerWaalsContact CG-CD1 3.45Å; D18-Y122 WeakPolarHBondContact OD1-CE1 3.47Å; D18-Y122 WeakPolarHBondContact OD2-CD1 3.27Å
19L82.1Confident75.2Confident34 Ų3482.2 Ų82.218%0.17842%0.417CS..Hα-helixtrans-57.2-46.5172.6-178.469.5000111V15 K21 V22 E23 M106 V107 L110V15-L19 WeakPolarHBondContact O-CB 3.27Å; V15-L19 PolarHBondContact O-N 3.11Å; L19-K21 PolarHBondContact O-N 3.18Å; L19-V22 VanDerWaalsContact O-CG2 3.3Å; L19-V22 WeakPolarHBondContact O-CG2 3.41Å; L19-V22 PolarHBondContact O-N 2.9Å; L19-V22 VanDerWaalsContact O-N 3.12Å; L19-E23 PolarHBondContact O-N 3.31Å; L19-M106 HydrophobicContact CB-CE 4.2Å; L19-M106 HydrophobicContact CD1-CB 3.8Å; L19-V107 HydrophobicContact CD1-CG2 3.76Å; L19-V107 HydrophobicContact CD2-CG2 4.46Å; L19-L110 HydrophobicContact CB-CD1 4.2Å; L19-L110 HydrophobicContact CD1-CD1 4.19Å; L19-L110 HydrophobicContact CD2-CD1 3.72Å; L19-L110 HydrophobicContact CG-CD1 4.25Å
20K82.1Confident77Confident157 Ų15784 Ų8468%0.68342%0.416SS*.Hα-helixtrans-61.7-28.4176.9-72.5174.5-179.21750112.9K16 S17 D18 V22K16-K20 WeakPolarHBondContact O-CG 2.79Å; K16-K20 PolarHBondContact O-N 3.26Å; K16-K20 VanDerWaalsContact O-N 3.15Å; S17-K20 WeakPolarHBondContact O-CB 3.36Å; S17-K20 PolarHBondContact O-N 3.06Å; D18-K20 VanDerWaalsContact C-N 3.31Å; D18-K20 PolarHBondContact O-N 3.22Å; K20-V22 VanDerWaalsContact C-N 3.34Å
21K81.9Confident78.8Confident107 Ų10787.1 Ų87.147%0.46542%0.418SS..Hα-helixtrans-70.7-29.6176.7-66.7170.1-163.3161.40112.4S17 D18 L19 K99 Y122S17-K21 WeakPolarHBondContact O-CG 3.17Å; S17-K21 PolarHBondContact O-N 2.77Å; S17-K21 VanDerWaalsContact O-N 3.17Å; D18-K21 WeakPolarHBondContact O-CB 3.29Å; D18-K21 PolarHBondContact O-N 2.82Å; D18-K21 IonicContact OD1-NZ 3.97Å; D18-K21 PolarHBondContact OD1-NZ 2.84Å; L19-K21 PolarHBondContact O-N 3.18Å; K21-K99 WeakPolarHBondContact O-CE 3.06Å; K21-Y122 HydrophobicContact CB-CE2 4.18Å; K21-Y122 HydrophobicContact CD-CE2 4.49Å; K21-Y122 VanDerWaalsContact CD-OH 3.31Å; K21-Y122 WeakPolarHBondContact CD-OH 3.48Å
22V83.9Confident80.5Confident0 Ų081.8 Ų81.80%039%0.391CS..Hα-helixtrans-100.4-12.3179.1-61.10000114.1D18 L19 K20 L24 K99 H103 M106 Y122 Y125D18-V22 PolarHBondContact O-N 2.94Å; L19-V22 VanDerWaalsContact O-CG2 3.3Å; L19-V22 WeakPolarHBondContact O-CG2 3.41Å; L19-V22 PolarHBondContact O-N 2.9Å; L19-V22 VanDerWaalsContact O-N 3.12Å; K20-V22 VanDerWaalsContact C-N 3.34Å; V22-L24 PolarHBondContact O-N 3.23Å; V22-K99 VanDerWaalsContact O-CE 3.23Å; V22-K99 WeakPolarHBondContact O-CE 3.43Å; V22-K99 VanDerWaalsContact O-CG 3.26Å; V22-K99 WeakPolarHBondContact O-CG 3.15Å; V22-H103 HydrophobicContact CB-CB 4.36Å; V22-H103 HydrophobicContact CG2-CB 3.91Å; V22-M106 HydrophobicContact CG1-SD 4.45Å; V22-M106 HydrophobicContact CG2-CE 4.49Å; V22-M106 HydrophobicContact CG2-SD 3.42Å; V22-M106 WeakPolarHBondContact CG2-SD 3.42Å; V22-Y122 HydrophobicContact CG1-CD2 3.52Å; V22-Y122 HydrophobicContact CG1-CE2 3.73Å; V22-Y125 HydrophobicContact CG1-CD1 3.68Å; V22-Y125 HydrophobicContact CG1-CE1 3.7Å
23E86.4Confident82.1Confident91 Ų9183.4 Ų83.443%0.42540%0.4SS..SBendtrans-58.4132.9171.3-170.1177.6178.600110.6L19 T25 K99 H103L19-E23 PolarHBondContact O-N 3.31Å; E23-T25 PolarHBondContact O-N 3.17Å; E23-K99 PolarHBondContact O-NZ 3.36Å; E23-H103 WeakPolarHBondContact CA-CD2 3.44Å
24L84.5Confident83.5Confident20 Ų2081 Ų8111%0.10539%0.392CS..PPolyproline II helixtrans-70.5119176.4-69-179.1000110V22 E28 K29 I96 K99 K100V22-L24 PolarHBondContact O-N 3.23Å; L24-E28 HydrophobicContact CD2-CB 4.11Å; L24-K29 HydrophobicContact CB-CD 4.44Å; L24-K29 HydrophobicContact CB-CG 3.84Å; L24-K29 HydrophobicContact CD1-CG 4.36Å; L24-K29 WeakPolarHBondContact O-CE 3.47Å; L24-K29 PolarHBondContact O-NZ 2.9Å; L24-I96 HydrophobicContact CD1-CG2 3.96Å; L24-I96 HydrophobicContact CD2-CG2 3.78Å; L24-K99 HydrophobicContact CD2-CB 4.17Å; L24-K99 HydrophobicContact CD2-CD 3.8Å; L24-K99 HydrophobicContact CD2-CG 3.91Å; L24-K100 HydrophobicContact CD1-CB 3.99Å; L24-K100 HydrophobicContact CD1-CG 4.18Å
25T88.1Confident84.4Confident70 Ų7076.4 Ų76.443%0.42937%0.368SS..PPolyproline II helixtrans-62.9158.1170.563.90000110.6E23 Q27 E28 K29E23-T25 PolarHBondContact O-N 3.17Å; T25-Q27 PolarHBondContact O-N 3.43Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.33Å; T25-E28 PolarHBondContact N-OE2 3.02Å; T25-E28 PolarHBondContact O-N 2.82Å; T25-E28 VanDerWaalsContact O-N 3.14Å; T25-E28 WeakPolarHBondContact OG1-CB 3.32Å; T25-E28 VanDerWaalsContact OG1-CG 3.25Å; T25-E28 WeakPolarHBondContact OG1-CG 3.39Å; T25-E28 PolarHBondContact OG1-N 2.76Å; T25-E28 VanDerWaalsContact OG1-N 3.12Å; T25-E28 PolarHBondContact OG1-OE2 3.32Å; T25-K29 WeakPolarHBondContact O-CG 3.31Å; T25-K29 PolarHBondContact O-N 3.03Å
26N87.6Confident85.2Confident125 Ų12578 Ų7867%0.66838%0.376SS*.Hα-helixtrans-57.6-31.2173.8-72.6-25.3000112.5K30N26-K30 WeakPolarHBondContact O-CG 3.36Å; N26-K30 PolarHBondContact O-N 3.01Å; N26-K30 VanDerWaalsContact O-N 3.11Å
27Q86.7Confident86Confident134 Ų13478.7 Ų78.763%0.62638%0.379SS*.Hα-helixtrans-70-45176.4-172.8177.3-3.200111.7T25 K30 K31T25-Q27 PolarHBondContact O-N 3.43Å; Q27-K30 PolarHBondContact O-N 3.4Å; Q27-K31 WeakPolarHBondContact O-CG 3.4Å; Q27-K31 PolarHBondContact O-N 3.34Å
28E85.3Confident86.2Confident50 Ų5079.1 Ų79.123%0.23438%0.379CS..Hα-helixtrans-63.9-41.6176.1-70.8164.6137.700111.7L24 T25 K30 K31 Y32 K99L24-E28 HydrophobicContact CD2-CB 4.11Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.33Å; T25-E28 PolarHBondContact N-OE2 3.02Å; T25-E28 PolarHBondContact O-N 2.82Å; T25-E28 VanDerWaalsContact O-N 3.14Å; T25-E28 WeakPolarHBondContact OG1-CB 3.32Å; T25-E28 VanDerWaalsContact OG1-CG 3.25Å; T25-E28 WeakPolarHBondContact OG1-CG 3.39Å; T25-E28 PolarHBondContact OG1-N 2.76Å; T25-E28 VanDerWaalsContact OG1-N 3.12Å; T25-E28 PolarHBondContact OG1-OE2 3.32Å; E28-K30 VanDerWaalsContact C-N 3.31Å; E28-K30 PolarHBondContact O-N 2.81Å; E28-K31 PolarHBondContact O-N 3.01Å; E28-Y32 WeakPolarHBondContact O-CB 3.49Å; E28-Y32 PolarHBondContact O-N 2.58Å; E28-K99 IonicContact OE1-NZ 2.69Å; E28-K99 PolarHBondContact OE1-NZ 3.5Å; E28-K99 IonicContact OE2-NZ 3.63Å; E28-K99 PolarHBondContact OE2-NZ 3.25Å
29K88.3Confident86.4Confident89 Ų8979.8 Ų79.839%0.38738%0.38SS..Hα-helixtrans-57.8-43.3173.6-69.7173.7-178162.30111.7L24 T25 N33L24-K29 HydrophobicContact CB-CD 4.44Å; L24-K29 HydrophobicContact CB-CG 3.84Å; L24-K29 HydrophobicContact CD1-CG 4.36Å; L24-K29 WeakPolarHBondContact O-CE 3.47Å; L24-K29 PolarHBondContact O-NZ 2.9Å; T25-K29 WeakPolarHBondContact O-CG 3.31Å; T25-K29 PolarHBondContact O-N 3.03Å; K29-N33 WeakPolarHBondContact O-CB 3.48Å; K29-N33 VanDerWaalsContact O-CG 3.26Å; K29-N33 PolarHBondContact O-N 3.24Å; K29-N33 PolarHBondContact O-ND2 2.93Å
30K89.4Confident86.6Confident146 Ų14684.8 Ų84.864%0.63540%0.401SS*.Hα-helixtrans-65-44.9175.7-76.9178.1-179.2-177.70112N26 Q27 E28 N33 N34N26-K30 WeakPolarHBondContact O-CG 3.36Å; N26-K30 PolarHBondContact O-N 3.01Å; N26-K30 VanDerWaalsContact O-N 3.11Å; Q27-K30 PolarHBondContact O-N 3.4Å; E28-K30 VanDerWaalsContact C-N 3.31Å; E28-K30 PolarHBondContact O-N 2.81Å; K30-N33 PolarHBondContact O-N 3.18Å; K30-N34 WeakPolarHBondContact O-CB 3.4Å; K30-N34 VanDerWaalsContact O-CG 3.29Å; K30-N34 PolarHBondContact O-N 2.78Å
31K85.6Confident86.9Confident105 Ų10580.1 Ų80.146%0.45739%0.386SS..Hα-helixtrans-57.7-49.5175.6-75.6-175.7175.6-172.50111.3Q27 E28 N33 N34 A35 I96Q27-K31 WeakPolarHBondContact O-CG 3.4Å; Q27-K31 PolarHBondContact O-N 3.34Å; E28-K31 PolarHBondContact O-N 3.01Å; K31-N33 PolarHBondContact O-N 2.85Å; K31-N34 WeakPolarHBondContact O-CB 3.45Å; K31-N34 PolarHBondContact O-N 3.31Å; K31-N34 VanDerWaalsContact O-N 3.13Å; K31-A35 WeakPolarHBondContact O-CB 3.32Å; K31-A35 PolarHBondContact O-N 3.07Å; K31-I96 HydrophobicContact CB-CD1 4.3Å
32Y87.1Confident87Confident58 Ų5879 Ų7923%0.22738%0.382CS..Hα-helixtrans-55.4-49.4175.7178.5-96.6000112.7E28 N34 A35 M36 I93 I96E28-Y32 WeakPolarHBondContact O-CB 3.49Å; E28-Y32 PolarHBondContact O-N 2.58Å; Y32-N34 VanDerWaalsContact C-N 3.26Å; Y32-N34 PolarHBondContact O-N 2.93Å; Y32-A35 PolarHBondContact O-N 3.24Å; Y32-M36 HydrophobicContact CE2-CE 4.2Å; Y32-M36 WeakPolarHBondContact O-CB 3.38Å; Y32-M36 PolarHBondContact O-N 2.95Å; Y32-M36 WeakPolarHBondContact OH-CE 3.32Å; Y32-I93 HydrophobicContact CE2-CG2 3.94Å; Y32-I96 HydrophobicContact CD2-CB 3.92Å; Y32-I96 HydrophobicContact CD2-CD1 4.37Å; Y32-I96 HydrophobicContact CD2-CG2 3.71Å; Y32-I96 HydrophobicContact CG-CG2 4.07Å
33N89.6Confident86.9Confident101 Ų10179.5 Ų79.554%0.5439%0.385SS..Hα-helixtrans-62.2-37179.7-73.4-21.6000111.9K29 K30 K31 K37K29-N33 WeakPolarHBondContact O-CB 3.48Å; K29-N33 VanDerWaalsContact O-CG 3.26Å; K29-N33 PolarHBondContact O-N 3.24Å; K29-N33 PolarHBondContact O-ND2 2.93Å; K30-N33 PolarHBondContact O-N 3.18Å; K31-N33 PolarHBondContact O-N 2.85Å; N33-K37 VanDerWaalsContact O-CB 3.3Å; N33-K37 WeakPolarHBondContact O-CB 3.32Å; N33-K37 PolarHBondContact O-N 2.84Å
34N90.1Very high86.7Confident103 Ų10381.3 Ų81.355%0.55139%0.391SS*.Hα-helixtrans-68.7-50.8175.2-71.6-15000111.6K30 K31 Y32 M36 K37 V38K30-N34 WeakPolarHBondContact O-CB 3.4Å; K30-N34 VanDerWaalsContact O-CG 3.29Å; K30-N34 PolarHBondContact O-N 2.78Å; K31-N34 WeakPolarHBondContact O-CB 3.45Å; K31-N34 PolarHBondContact O-N 3.31Å; K31-N34 VanDerWaalsContact O-N 3.13Å; Y32-N34 VanDerWaalsContact C-N 3.26Å; Y32-N34 PolarHBondContact O-N 2.93Å; N34-M36 VanDerWaalsContact C-N 3.31Å; N34-M36 PolarHBondContact O-N 3.46Å; N34-K37 WeakPolarHBondContact O-CB 3.31Å; N34-K37 PolarHBondContact O-N 3.33Å; N34-V38 WeakPolarHBondContact O-CG2 3.38Å; N34-V38 PolarHBondContact O-N 3.49Å
35A87.9Confident86.6Confident6 Ų685.7 Ų85.75%0.0541%0.41CS..Hα-helixtrans-56.5-46.117700000111.1K31 Y32 K37 V38 Y39 I89 E92 I93K31-A35 WeakPolarHBondContact O-CB 3.32Å; K31-A35 PolarHBondContact O-N 3.07Å; Y32-A35 PolarHBondContact O-N 3.24Å; A35-K37 VanDerWaalsContact C-N 3.32Å; A35-K37 PolarHBondContact O-N 2.03Å; A35-V38 PolarHBondContact O-N 3.28Å; A35-Y39 VanDerWaalsContact O-CB 3.31Å; A35-Y39 WeakPolarHBondContact O-CB 3.16Å; A35-Y39 PolarHBondContact O-N 3.17Å; A35-I89 HydrophobicContact CB-CG2 4.09Å; A35-I89 VanDerWaalsContact O-CG2 3.24Å; A35-I89 WeakPolarHBondContact O-CG2 3.23Å; A35-E92 HydrophobicContact CB-CG 4.38Å; A35-I93 HydrophobicContact CB-CG1 3.99Å
36M88Confident86.3Confident37 Ų3783.3 Ų83.318%0.18240%0.396CS..Hα-helixtrans-62.8-36.2176-173.757.663.800112.7Y32 N34 Y39 K40 I93Y32-M36 HydrophobicContact CE2-CE 4.2Å; Y32-M36 WeakPolarHBondContact O-CB 3.38Å; Y32-M36 PolarHBondContact O-N 2.95Å; Y32-M36 WeakPolarHBondContact OH-CE 3.32Å; N34-M36 VanDerWaalsContact C-N 3.31Å; N34-M36 PolarHBondContact O-N 3.46Å; M36-Y39 HydrophobicContact SD-CD1 4.06Å; M36-K40 HydrophobicContact CG-CD 4.35Å; M36-K40 WeakPolarHBondContact O-CB 3.43Å; M36-K40 VanDerWaalsContact O-CG 3.27Å; M36-K40 WeakPolarHBondContact O-CG 3.47Å; M36-K40 PolarHBondContact O-N 3.44Å; M36-K40 HydrophobicContact SD-CD 4.49Å; M36-K40 HydrophobicContact SD-CG 4.31Å; M36-I93 HydrophobicContact CE-CD1 3.77Å; M36-I93 HydrophobicContact CE-CG1 4.12Å; M36-I93 HydrophobicContact CE-CG2 3.63Å; M36-I93 HydrophobicContact SD-CD1 4.28Å
37K89.1Confident86Confident149 Ų14979.4 Ų79.465%0.64837%0.374SS*.Hα-helixtrans-67-44.4175-177.6-176.7176.6-174.60111.3N33 N34 A35 T41N33-K37 VanDerWaalsContact O-CB 3.3Å; N33-K37 WeakPolarHBondContact O-CB 3.32Å; N33-K37 PolarHBondContact O-N 2.84Å; N34-K37 WeakPolarHBondContact O-CB 3.31Å; N34-K37 PolarHBondContact O-N 3.33Å; A35-K37 VanDerWaalsContact C-N 3.32Å; A35-K37 PolarHBondContact O-N 2.03Å; K37-T41 WeakPolarHBondContact O-CB 3.45Å; K37-T41 PolarHBondContact O-N 3.34Å; K37-T41 VanDerWaalsContact O-N 3.12Å; K37-T41 PolarHBondContact O-OG1 2.75Å
38V85.7Confident85.6Confident61 Ų6177 Ų7737%0.3736%0.364SS..Hα-helixtrans-63-52.5176.2-179.50000109.4N34 A35 K40 T41 E42 I89N34-V38 WeakPolarHBondContact O-CG2 3.38Å; N34-V38 PolarHBondContact O-N 3.49Å; A35-V38 PolarHBondContact O-N 3.28Å; V38-K40 PolarHBondContact O-N 2.8Å; V38-T41 CarbonylContact O-C 3.56Å; V38-T41 WeakPolarHBondContact O-CA 3.1Å; V38-T41 WeakPolarHBondContact O-CB 3.06Å; V38-T41 PolarHBondContact O-N 3.44Å; V38-E42 HydrophobicContact CG1-CG 4Å; V38-E42 WeakPolarHBondContact CG1-OE1 2.98Å; V38-E42 PolarHBondContact O-N 3.15Å; V38-I89 HydrophobicContact CB-CD1 4.3Å; V38-I89 HydrophobicContact CG1-CD1 3.51Å; V38-I89 HydrophobicContact CG1-CG1 4.49Å
39Y85.8Confident85.3Confident33 Ų3381 Ų8113%0.12939%0.386CS..Hα-helixtrans-50.3-53.1176.2174.4-104.1000112.7A35 M36 T41 E42 V43 E83 N86 L90 I93A35-Y39 VanDerWaalsContact O-CB 3.31Å; A35-Y39 WeakPolarHBondContact O-CB 3.16Å; A35-Y39 PolarHBondContact O-N 3.17Å; M36-Y39 HydrophobicContact SD-CD1 4.06Å; Y39-T41 PolarHBondContact O-N 3.36Å; Y39-E42 PolarHBondContact O-N 3.5Å; Y39-V43 HydrophobicContact CD2-CG2 3.64Å; Y39-V43 HydrophobicContact CE1-CG2 4.32Å; Y39-V43 HydrophobicContact CE2-CB 4.44Å; Y39-V43 HydrophobicContact CE2-CG2 3.26Å; Y39-V43 HydrophobicContact CG-CG2 4.31Å; Y39-V43 VanDerWaalsContact O-CB 3.28Å; Y39-V43 WeakPolarHBondContact O-CB 3.26Å; Y39-V43 WeakPolarHBondContact O-CG2 3.3Å; Y39-V43 PolarHBondContact O-N 2.04Å; Y39-E83 WeakPolarHBondContact OH-CG 3.34Å; Y39-E83 PolarHBondContact OH-OE1 3.41Å; Y39-E83 VanDerWaalsContact OH-OE1 3.07Å; Y39-N86 HydrophobicContact CD2-CB 4.34Å; Y39-L90 HydrophobicContact CD2-CD2 3.8Å; Y39-L90 HydrophobicContact CD2-CG 3.92Å; Y39-L90 HydrophobicContact CE1-CD2 4.43Å; Y39-L90 HydrophobicContact CE2-CD1 3.94Å; Y39-L90 HydrophobicContact CE2-CD2 3.28Å; Y39-L90 HydrophobicContact CE2-CG 3.51Å; Y39-I93 HydrophobicContact CD1-CD1 4.34Å; Y39-I93 HydrophobicContact CD2-CD1 4.48Å; Y39-I93 HydrophobicContact CG-CD1 3.93Å
40K86.2Confident84.5Confident138 Ų13882.2 Ų82.260%0.640%0.395SS*.Hα-helixtrans-60.2-32.5178.6-77.5178.5179.3-179.10112.5M36 V38 K44M36-K40 HydrophobicContact CG-CD 4.35Å; M36-K40 WeakPolarHBondContact O-CB 3.43Å; M36-K40 VanDerWaalsContact O-CG 3.27Å; M36-K40 WeakPolarHBondContact O-CG 3.47Å; M36-K40 PolarHBondContact O-N 3.44Å; M36-K40 HydrophobicContact SD-CD 4.49Å; M36-K40 HydrophobicContact SD-CG 4.31Å; V38-K40 PolarHBondContact O-N 2.8Å; K40-K44 WeakPolarHBondContact O-CB 3.33Å; K40-K44 PolarHBondContact O-N 2.84Å
41T87.4Confident84Confident60 Ų6075.2 Ų75.237%0.36837%0.365SS..Hα-helixtrans-76-51.1-180-57.90000110.5K37 V38 Y39 K44 F45K37-T41 WeakPolarHBondContact O-CB 3.45Å; K37-T41 PolarHBondContact O-N 3.34Å; K37-T41 VanDerWaalsContact O-N 3.12Å; K37-T41 PolarHBondContact O-OG1 2.75Å; V38-T41 CarbonylContact O-C 3.56Å; V38-T41 WeakPolarHBondContact O-CA 3.1Å; V38-T41 WeakPolarHBondContact O-CB 3.06Å; V38-T41 PolarHBondContact O-N 3.44Å; Y39-T41 PolarHBondContact O-N 3.36Å; T41-K44 WeakPolarHBondContact O-CB 3.27Å; T41-K44 PolarHBondContact O-N 3.34Å; T41-F45 HydrophobicContact CG2-CD2 3.67Å; T41-F45 HydrophobicContact CG2-CE2 3.36Å; T41-F45 WeakPolarHBondContact O-CD2 3.04Å; T41-F45 PolarHBondContact O-N 3.38Å
42E84Confident83.7Confident83 Ų8372.4 Ų72.439%0.38836%0.356SS..Hα-helixtrans-69.3-42.8-177.6-66.4-174167.700112.3V38 Y39 K44 F45 C46 N86 I89V38-E42 HydrophobicContact CG1-CG 4Å; V38-E42 WeakPolarHBondContact CG1-OE1 2.98Å; V38-E42 PolarHBondContact O-N 3.15Å; Y39-E42 PolarHBondContact O-N 3.5Å; E42-K44 VanDerWaalsContact C-N 3.31Å; E42-K44 PolarHBondContact O-N 3.46Å; E42-F45 PolarHBondContact O-N 3.48Å; E42-C46 VanDerWaalsContact O-CB 3.26Å; E42-C46 WeakPolarHBondContact O-CB 3.49Å; E42-C46 PolarHBondContact O-N 2.81Å; E42-N86 WeakPolarHBondContact CB-OD1 3.31Å; E42-N86 PolarHBondContact OE2-OD1 3.3Å; E42-I89 WeakPolarHBondContact OE2-CD1 3.29Å
43V83.1Confident83.3Confident10 Ų1071.7 Ų71.76%0.06137%0.366CS..Hα-helixtrans-63-40.1172.6172.60000110.7Y39 C46 M47 N86Y39-V43 HydrophobicContact CD2-CG2 3.64Å; Y39-V43 HydrophobicContact CE1-CG2 4.32Å; Y39-V43 HydrophobicContact CE2-CB 4.44Å; Y39-V43 HydrophobicContact CE2-CG2 3.26Å; Y39-V43 HydrophobicContact CG-CG2 4.31Å; Y39-V43 VanDerWaalsContact O-CB 3.28Å; Y39-V43 WeakPolarHBondContact O-CB 3.26Å; Y39-V43 WeakPolarHBondContact O-CG2 3.3Å; Y39-V43 PolarHBondContact O-N 2.04Å; V43-C46 PolarHBondContact O-N 2.95Å; V43-M47 HydrophobicContact CG1-CG 4.11Å; V43-M47 HydrophobicContact CG1-SD 3.81Å; V43-M47 VanDerWaalsContact O-CB 3.28Å; V43-M47 WeakPolarHBondContact O-CB 3.42Å; V43-M47 WeakPolarHBondContact O-CG 3.44Å; V43-M47 PolarHBondContact O-N 3.29Å; V43-N86 HydrophobicContact CG2-CB 4.21Å
44K81.2Confident82.7Confident129 Ų12967.9 Ų67.956%0.56135%0.346SS*.Hα-helixtrans-61.5-46.1175.7176.6-175.9174.9-171.50111.6K40 T41 E42 M47 M48K40-K44 WeakPolarHBondContact O-CB 3.33Å; K40-K44 PolarHBondContact O-N 2.84Å; T41-K44 WeakPolarHBondContact O-CB 3.27Å; T41-K44 PolarHBondContact O-N 3.34Å; E42-K44 VanDerWaalsContact C-N 3.31Å; E42-K44 PolarHBondContact O-N 3.46Å; K44-M47 PolarHBondContact O-N 2.92Å; K44-M48 HydrophobicContact CG-SD 4.29Å; K44-M48 WeakPolarHBondContact O-CB 3.37Å; K44-M48 VanDerWaalsContact O-CG 3.3Å; K44-M48 WeakPolarHBondContact O-CG 3.38Å; K44-M48 PolarHBondContact O-N 2.8Å
45F82.8Confident81.9Confident113 Ų11367.7 Ų67.750%0.49634%0.34SS..Hα-helixtrans-66.1-45.9178.3-75.9-58.1000111.6T41 E42 M47 M48 D49T41-F45 HydrophobicContact CG2-CD2 3.67Å; T41-F45 HydrophobicContact CG2-CE2 3.36Å; T41-F45 WeakPolarHBondContact O-CD2 3.04Å; T41-F45 PolarHBondContact O-N 3.38Å; E42-F45 PolarHBondContact O-N 3.48Å; F45-M47 VanDerWaalsContact C-N 3.31Å; F45-M47 PolarHBondContact O-N 3.23Å; F45-M48 CarbonylContact O-C 3.56Å; F45-M48 WeakPolarHBondContact O-CA 3.28Å; F45-M48 WeakPolarHBondContact O-CB 3.46Å; F45-M48 PolarHBondContact O-N 3.36Å; F45-D49 PolarHBondContact O-N 2.88Å
46C81.1Confident81.4Confident20 Ų2075.2 Ų75.214%0.13537%0.367CS..Hα-helixtrans-56.9-45174.5-179.70000112E42 V43 M48 D49 M50 C82E42-C46 VanDerWaalsContact O-CB 3.26Å; E42-C46 WeakPolarHBondContact O-CB 3.49Å; E42-C46 PolarHBondContact O-N 2.81Å; V43-C46 PolarHBondContact O-N 2.95Å; C46-M48 VanDerWaalsContact C-N 3.28Å; C46-M48 PolarHBondContact O-N 3Å; C46-D49 PolarHBondContact O-N 3.48Å; C46-M50 WeakPolarHBondContact O-CB 3.48Å; C46-M50 PolarHBondContact O-N 2.87Å; C46-C82 HydrophobicContact CB-CB 3.72Å; C46-C82 WeakPolarHBondContact CB-SG 3.48Å; C46-C82 WeakPolarHBondContact SG-CA 3.25Å; C46-C82 WeakPolarHBondContact SG-CB 3.49Å; C46-C82 CovalentContact SG-SG 2.04Å; C46-C82 PolarHBondContact SG-SG 3.09Å
47M80.8Confident80.9Confident42 Ų4279.2 Ų79.221%0.20738%0.38CS..Hα-helixtrans-66-31.3176.2-72.6-178.778.700112.8V43 K44 F45 C51 V52 F75 K79 C82V43-M47 HydrophobicContact CG1-CG 4.11Å; V43-M47 HydrophobicContact CG1-SD 3.81Å; V43-M47 VanDerWaalsContact O-CB 3.28Å; V43-M47 WeakPolarHBondContact O-CB 3.42Å; V43-M47 WeakPolarHBondContact O-CG 3.44Å; V43-M47 PolarHBondContact O-N 3.29Å; K44-M47 PolarHBondContact O-N 2.92Å; F45-M47 VanDerWaalsContact C-N 3.31Å; F45-M47 PolarHBondContact O-N 3.23Å; M47-C51 CarbonylContact O-C 3.33Å; M47-C51 VanDerWaalsContact O-CA 3.29Å; M47-C51 WeakPolarHBondContact O-CA 2.95Å; M47-C51 WeakPolarHBondContact O-CB 3.44Å; M47-C51 PolarHBondContact O-N 3.28Å; M47-V52 PolarHBondContact O-N 3.15Å; M47-F75 HydrophobicContact CE-CE1 3.64Å; M47-F75 HydrophobicContact CE-CE2 3.7Å; M47-F75 HydrophobicContact CE-CZ 3.07Å; M47-K79 HydrophobicContact CE-CB 4.38Å; M47-K79 HydrophobicContact CE-CG 4.41Å; M47-K79 HydrophobicContact SD-CG 4.39Å; M47-C82 HydrophobicContact CG-CB 4.46Å; M47-C82 PolarHBondContact N-SG 2.98Å
48M80Confident80.3Confident84 Ų8473.9 Ų73.941%0.41436%0.358SS..Hα-helixtrans-70.5-42.5172.6-75.9-179.157.700111.1K44 F45 C46 V52K44-M48 HydrophobicContact CG-SD 4.29Å; K44-M48 WeakPolarHBondContact O-CB 3.37Å; K44-M48 VanDerWaalsContact O-CG 3.3Å; K44-M48 WeakPolarHBondContact O-CG 3.38Å; K44-M48 PolarHBondContact O-N 2.8Å; F45-M48 CarbonylContact O-C 3.56Å; F45-M48 WeakPolarHBondContact O-CA 3.28Å; F45-M48 WeakPolarHBondContact O-CB 3.46Å; F45-M48 PolarHBondContact O-N 3.36Å; C46-M48 VanDerWaalsContact C-N 3.28Å; C46-M48 PolarHBondContact O-N 3Å; M48-V52 HydrophobicContact CB-CG2 4.46Å; M48-V52 WeakPolarHBondContact O-CB 3.36Å; M48-V52 WeakPolarHBondContact O-CG2 3.39Å; M48-V52 PolarHBondContact O-N 3.34Å
49D77.6Confident79.7Confident133 Ų13377.3 Ų77.371%0.71137%0.371SS*.Hα-helixtrans-77.2-45.3-175.1-64.1-22.7000111.7F45 C46F45-D49 PolarHBondContact O-N 2.88Å; C46-D49 PolarHBondContact O-N 3.48Å
50M72.1Confident79.1Confident115 Ų11583 Ų8357%0.56740%0.396SS*.Hα-helixtrans-87.4-37-175.6-59.8-173.975.800112.6C46C46-M50 WeakPolarHBondContact O-CB 3.48Å; C46-M50 PolarHBondContact O-N 2.87Å
51C78.8Confident78.2Confident0 Ų080.4 Ų80.40%038%0.382CS..Hα-helixtrans-105.12.9-170.3-34.40000114.1M47 G53 I54 K55 F75 C78M47-C51 CarbonylContact O-C 3.33Å; M47-C51 VanDerWaalsContact O-CA 3.29Å; M47-C51 WeakPolarHBondContact O-CA 2.95Å; M47-C51 WeakPolarHBondContact O-CB 3.44Å; M47-C51 PolarHBondContact O-N 3.28Å; C51-G53 VanDerWaalsContact C-N 3.28Å; C51-G53 PolarHBondContact O-N 3.21Å; C51-I54 PolarHBondContact O-N 3.29Å; C51-I54 VanDerWaalsContact O-N 3.14Å; C51-K55 WeakPolarHBondContact O-CB 3.39Å; C51-K55 PolarHBondContact O-N 2.83Å; C51-F75 HydrophobicContact CB-CD2 4.22Å; C51-F75 HydrophobicContact CB-CE2 4.21Å; C51-C78 VanDerWaalsContact CA-SG 3.52Å; C51-C78 HydrophobicContact CB-CB 4.04Å; C51-C78 WeakPolarHBondContact CB-SG 3.4Å; C51-C78 WeakPolarHBondContact SG-CB 3.48Å; C51-C78 CovalentContact SG-SG 2.03Å; C51-C78 PolarHBondContact SG-SG 3.22Å
52V78.7Confident76.9Confident45 Ų4580.7 Ų80.727%0.27340%0.397SS..Hα-helixtrans-57.7-39-179.8147.40000112.6M47 M48 K55 R56M47-V52 PolarHBondContact O-N 3.15Å; M48-V52 HydrophobicContact CB-CG2 4.46Å; M48-V52 WeakPolarHBondContact O-CB 3.36Å; M48-V52 WeakPolarHBondContact O-CG2 3.39Å; M48-V52 PolarHBondContact O-N 3.34Å; V52-K55 PolarHBondContact O-N 3.19Å; V52-R56 HydrophobicContact CG1-CG 4.36Å; V52-R56 WeakPolarHBondContact O-CB 3.16Å; V52-R56 VanDerWaalsContact O-CG 3.27Å; V52-R56 WeakPolarHBondContact O-CG 3.28Å; V52-R56 PolarHBondContact O-N 3.13Å
53G79.6Confident75.8Confident43 Ų4382.8 Ų82.844%0.44342%0.416SS..Hα-helixtrans-62.5-42.9177.100000112.6C51 R57C51-G53 VanDerWaalsContact C-N 3.28Å; C51-G53 PolarHBondContact O-N 3.21Å; G53-R57 WeakPolarHBondContact O-CG 3.11Å; G53-R57 PolarHBondContact O-N 2.88Å; G53-R57 VanDerWaalsContact O-N 3.16Å; G53-R57 PolarHBondContact O-NE 2.92Å
54I76.7Confident74.5Confident21 Ų2185.2 Ų85.211%0.10843%0.433CS..Hα-helixtrans-69-45.4176.2-60.3159.8000110.2C51 R56 R57 L58 Q74 F75 C78C51-I54 PolarHBondContact O-N 3.29Å; C51-I54 VanDerWaalsContact O-N 3.14Å; I54-R56 VanDerWaalsContact C-N 3.35Å; I54-R56 PolarHBondContact O-N 3.24Å; I54-R57 VanDerWaalsContact CG1-NH2 3.33Å; I54-R57 CarbonylContact O-C 3.45Å; I54-R57 WeakPolarHBondContact O-CA 3.36Å; I54-R57 WeakPolarHBondContact O-CB 3.41Å; I54-R57 PolarHBondContact O-N 3.32Å; I54-L58 HydrophobicContact CG2-CD1 4.12Å; I54-L58 HydrophobicContact CG2-CG 4.47Å; I54-L58 PolarHBondContact O-N 3.44Å; I54-Q74 HydrophobicContact CD1-CB 4.1Å; I54-Q74 HydrophobicContact CG1-CB 4.44Å; I54-Q74 HydrophobicContact CG2-CB 4.29Å; I54-F75 HydrophobicContact CG2-CB 3.89Å; I54-F75 HydrophobicContact CG2-CD2 4.25Å; I54-C78 HydrophobicContact CD1-CB 4.06Å
55K73.4Confident73.5Confident100 Ų10087.7 Ų87.744%0.43545%0.453SS..Hα-helixtrans-58.9-43.6177.4-175.4179.5178.6179.70112.1C51 V52 R57 L58 Q59C51-K55 WeakPolarHBondContact O-CB 3.39Å; C51-K55 PolarHBondContact O-N 2.83Å; V52-K55 PolarHBondContact O-N 3.19Å; K55-R57 VanDerWaalsContact C-N 3.31Å; K55-R57 PolarHBondContact O-N 2.81Å; K55-L58 PolarHBondContact O-N 2.84Å; K55-Q59 WeakPolarHBondContact O-CB 2.94Å; K55-Q59 WeakPolarHBondContact O-CG 3.2Å; K55-Q59 PolarHBondContact O-N 3.38Å
56R77.8Confident72.5Confident164 Ų16484.2 Ų84.262%0.61945%0.448SS*.Hα-helixtrans-62.5-39.1174.8-76.3176179.5178.83.4111.5V52 I54 K60V52-R56 HydrophobicContact CG1-CG 4.36Å; V52-R56 WeakPolarHBondContact O-CB 3.16Å; V52-R56 VanDerWaalsContact O-CG 3.27Å; V52-R56 WeakPolarHBondContact O-CG 3.28Å; V52-R56 PolarHBondContact O-N 3.13Å; I54-R56 VanDerWaalsContact C-N 3.35Å; I54-R56 PolarHBondContact O-N 3.24Å; R56-K60 WeakPolarHBondContact O-CB 3.49Å; R56-K60 WeakPolarHBondContact O-CG 3.02Å; R56-K60 PolarHBondContact O-N 3.22Å
57R77.5Confident71.9Confident121 Ų12188.9 Ų88.946%0.45747%0.472SS..Hα-helixtrans-66.4-43.1174.5-73.4-176.8-69.8165.55.8111.8G53 I54 K55 K60 W61 L71G53-R57 WeakPolarHBondContact O-CG 3.11Å; G53-R57 PolarHBondContact O-N 2.88Å; G53-R57 VanDerWaalsContact O-N 3.16Å; G53-R57 PolarHBondContact O-NE 2.92Å; I54-R57 VanDerWaalsContact CG1-NH2 3.33Å; I54-R57 CarbonylContact O-C 3.45Å; I54-R57 WeakPolarHBondContact O-CA 3.36Å; I54-R57 WeakPolarHBondContact O-CB 3.41Å; I54-R57 PolarHBondContact O-N 3.32Å; K55-R57 VanDerWaalsContact C-N 3.31Å; K55-R57 PolarHBondContact O-N 2.81Å; R57-K60 CarbonylContact O-C 3.54Å; R57-K60 PolarHBondContact O-N 3.12Å; R57-W61 WeakPolarHBondContact O-CB 3.49Å; R57-W61 PolarHBondContact O-N 2.73Å; R57-L71 HydrophobicContact CB-CD1 4.44Å; R57-L71 HydrophobicContact CB-CD2 4.03Å
58L75.3Confident71.3Confident36 Ų3688.8 Ų88.819%0.18848%0.475CS..Hα-helixtrans-62.4-41.9174-79.3169.3000112.7I54 K55 W61 L71 L72 F75I54-L58 HydrophobicContact CG2-CD1 4.12Å; I54-L58 HydrophobicContact CG2-CG 4.47Å; I54-L58 PolarHBondContact O-N 3.44Å; K55-L58 PolarHBondContact O-N 2.84Å; L58-W61 WeakPolarHBondContact O-CB 3.38Å; L58-W61 PolarHBondContact O-N 3.07Å; L58-L71 HydrophobicContact CD2-CB 3.51Å; L58-L71 HydrophobicContact CD2-CD1 4.31Å; L58-L71 HydrophobicContact CG-CB 4.02Å; L58-L72 HydrophobicContact CD2-CD2 4.1Å; L58-L72 HydrophobicContact CD2-CG 4.33Å; L58-F75 HydrophobicContact CD1-CB 3.84Å; L58-F75 HydrophobicContact CD1-CD2 4.08Å; L58-F75 HydrophobicContact CD1-CG 3.95Å
59Q74Confident71.1Confident134 Ų13493 Ų9363%0.62649%0.486SS*.Hα-helixtrans-65.1-39.9176.2-75.9177.7-32.100112.1K55 W61K55-Q59 WeakPolarHBondContact O-CB 2.94Å; K55-Q59 WeakPolarHBondContact O-CG 3.2Å; K55-Q59 PolarHBondContact O-N 3.38Å; Q59-W61 VanDerWaalsContact C-N 3.33Å
60K73.2Confident71.1Confident151 Ų15189.3 Ų89.366%0.65747%0.474SS*.Hα-helixtrans-71.4-28.1172.4-71.2-177.4-179.8-171.10112.1R56 R57 G62 T63R56-K60 WeakPolarHBondContact O-CB 3.49Å; R56-K60 WeakPolarHBondContact O-CG 3.02Å; R56-K60 PolarHBondContact O-N 3.22Å; R57-K60 CarbonylContact O-C 3.54Å; R57-K60 PolarHBondContact O-N 3.12Å; K60-G62 PolarHBondContact O-N 2.97Å; K60-T63 WeakPolarHBondContact O-CB 3.2Å; K60-T63 PolarHBondContact O-N 3.23Å; K60-T63 PolarHBondContact O-OG1 3.46Å
61W66.7Low71.4Confident84 Ų8485.2 Ų85.232%0.31845%0.454SS..Hα-helixtrans-60.9-30.6-177.817782.9000113.5R57 L58 Q59 T63 S64 G66 P68 L71R57-W61 WeakPolarHBondContact O-CB 3.49Å; R57-W61 PolarHBondContact O-N 2.73Å; L58-W61 WeakPolarHBondContact O-CB 3.38Å; L58-W61 PolarHBondContact O-N 3.07Å; Q59-W61 VanDerWaalsContact C-N 3.33Å; W61-T63 PolarHBondContact O-N 3.22Å; W61-S64 WeakPolarHBondContact CA-OG 3.24Å; W61-S64 PolarHBondContact NE1-O 3.33Å; W61-S64 PolarHBondContact O-N 3.5Å; W61-S64 VanDerWaalsContact O-O 3.13Å; W61-S64 PolarHBondContact O-OG 3.48Å; W61-G66 WeakPolarHBondContact CZ2-O 3.29Å; W61-G66 PolarHBondContact NE1-O 3.35Å; W61-P68 HydrophobicContact CD2-CB 4.17Å; W61-P68 HydrophobicContact CE3-CB 4.29Å; W61-P68 HydrophobicContact CH2-CB 3.7Å; W61-P68 HydrophobicContact CH2-CG 3.77Å; W61-P68 HydrophobicContact CZ2-CB 3.56Å; W61-P68 HydrophobicContact CZ2-CG 3.63Å; W61-P68 HydrophobicContact CZ3-CB 4.06Å; W61-L71 HydrophobicContact CB-CD1 4.11Å; W61-L71 HydrophobicContact CG-CD1 4.3Å
62G60.5Low71.5Confident66 Ų6689.6 Ų89.668%0.6848%0.477SS*.THydrogen-bonded Turntrans-55.5-5.2170.400000114.6K60K60-G62 PolarHBondContact O-N 2.97Å
63T60.4Low71.8Confident128 Ų12891.2 Ų91.279%0.78548%0.484SS*.THydrogen-bonded Turntrans-114.72.4174.469.90000114.7K60 W61K60-T63 WeakPolarHBondContact O-CB 3.2Å; K60-T63 PolarHBondContact O-N 3.23Å; K60-T63 PolarHBondContact O-OG1 3.46Å; W61-T63 PolarHBondContact O-N 3.22Å
64S56Low71.9Confident60 Ų6092.6 Ų92.642%0.4248%0.479SS..SBendtrans-135.7135.4-174.466.90000114W61 G66W61-S64 WeakPolarHBondContact CA-OG 3.24Å; W61-S64 PolarHBondContact NE1-O 3.33Å; W61-S64 PolarHBondContact O-N 3.5Å; W61-S64 VanDerWaalsContact O-O 3.13Å; W61-S64 PolarHBondContact O-OG 3.48Å; S64-G66 PolarHBondContact O-N 2.82Å
65N60.4Low72.1Confident182 Ų18294.2 Ų94.297%0.97349%0.486SS*.  trans-74.836.6-175-68.5-16000116.2
66G62.1Low72.6Confident39 Ų3992.1 Ų92.140%0.40249%0.486SS..SBendtrans-86.6166.3176.800000113.7W61 S64 P68W61-G66 WeakPolarHBondContact CZ2-O 3.29Å; W61-G66 PolarHBondContact NE1-O 3.35Å; S64-G66 PolarHBondContact O-N 2.82Å; G66-P68 WeakPolarHBondContact O-CD 3.45Å
67D68.4Low73.1Confident118 Ų11890.3 Ų90.363%0.63149%0.485SS*.  trans-71.3113.1170.5-176-7.5000110R69D67-R69 PolarHBondContact O-N 2.8Å; D67-R69 WeakPolarHBondContact OD1-CB 3.31Å; D67-R69 PolarHBondContact OD1-N 3.37Å
68P68.2Low73.4Confident40 Ų4085.1 Ų85.126%0.2647%0.467SS..Hα-helixtrans-66.8-19.8-177.526.7-32.5000112.5W61 G66 A70 L71 L72W61-P68 HydrophobicContact CD2-CB 4.17Å; W61-P68 HydrophobicContact CE3-CB 4.29Å; W61-P68 HydrophobicContact CH2-CB 3.7Å; W61-P68 HydrophobicContact CH2-CG 3.77Å; W61-P68 HydrophobicContact CZ2-CB 3.56Å; W61-P68 HydrophobicContact CZ2-CG 3.63Å; W61-P68 HydrophobicContact CZ3-CB 4.06Å; G66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-A70 PolarHBondContact O-N 3.05Å; P68-L71 PolarHBondContact O-N 2.96Å; P68-L71 VanDerWaalsContact O-N 3.17Å; P68-L72 HydrophobicContact CB-CD1 4.22Å; P68-L72 WeakPolarHBondContact O-CB 3.27Å; P68-L72 VanDerWaalsContact O-CG 3.31Å; P68-L72 WeakPolarHBondContact O-CG 3.35Å; P68-L72 PolarHBondContact O-N 3.23Å
69R75.3Confident73.9Confident174 Ų17487.7 Ų87.766%0.65748%0.477SS*.Hα-helixtrans-61.9-44-171.1-165.2151.3-173.9170.4-0111.7D67 L71 L72 D73D67-R69 PolarHBondContact O-N 2.8Å; D67-R69 WeakPolarHBondContact OD1-CB 3.31Å; D67-R69 PolarHBondContact OD1-N 3.37Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 3.01Å; R69-L72 PolarHBondContact O-N 2.91Å; R69-D73 WeakPolarHBondContact O-CB 3.3Å; R69-D73 PolarHBondContact O-N 2.94Å
70A79Confident74.5Confident55 Ų5583.7 Ų83.746%0.45547%0.467SS..Hα-helixtrans-61.3-37.2177.500000113.4P68 Q74P68-A70 PolarHBondContact O-N 3.05Å; A70-Q74 WeakPolarHBondContact O-CB 3.4Å; A70-Q74 VanDerWaalsContact O-CG 3.29Å; A70-Q74 WeakPolarHBondContact O-CG 3.46Å; A70-Q74 PolarHBondContact O-N 2.86Å
71L77.4Confident75.1Confident28 Ų2880.6 Ų80.615%0.14746%0.457CS..Hα-helixtrans-75.6-35.4177-73.9174.3000112.2R57 L58 W61 P68 R69 F75R57-L71 HydrophobicContact CB-CD1 4.44Å; R57-L71 HydrophobicContact CB-CD2 4.03Å; L58-L71 HydrophobicContact CD2-CB 3.51Å; L58-L71 HydrophobicContact CD2-CD1 4.31Å; L58-L71 HydrophobicContact CG-CB 4.02Å; W61-L71 HydrophobicContact CB-CD1 4.11Å; W61-L71 HydrophobicContact CG-CD1 4.3Å; P68-L71 PolarHBondContact O-N 2.96Å; P68-L71 VanDerWaalsContact O-N 3.17Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 3.01Å; L71-F75 WeakPolarHBondContact O-CB 3.47Å; L71-F75 PolarHBondContact O-N 3.31Å
72L81.3Confident76Confident92 Ų9276.6 Ų76.648%0.48244%0.442SS..Hα-helixtrans-67.7-40.6174.5-71.5171.6000111.2L58 P68 R69 F75 A76L58-L72 HydrophobicContact CD2-CD2 4.1Å; L58-L72 HydrophobicContact CD2-CG 4.33Å; P68-L72 HydrophobicContact CB-CD1 4.22Å; P68-L72 WeakPolarHBondContact O-CB 3.27Å; P68-L72 VanDerWaalsContact O-CG 3.31Å; P68-L72 WeakPolarHBondContact O-CG 3.35Å; P68-L72 PolarHBondContact O-N 3.23Å; R69-L72 PolarHBondContact O-N 2.91Å; L72-F75 PolarHBondContact O-N 2.81Å; L72-A76 WeakPolarHBondContact O-CB 3.39Å; L72-A76 PolarHBondContact O-N 3.43Å
73D84.8Confident77.2Confident80 Ų8076.1 Ų76.143%0.42842%0.422SS..Hα-helixtrans-64.4-47.5176.1-66.1-20.8000110R69 F75 A76 E77R69-D73 WeakPolarHBondContact O-CB 3.3Å; R69-D73 PolarHBondContact O-N 2.94Å; D73-F75 VanDerWaalsContact C-N 3.25Å; D73-F75 PolarHBondContact O-N 3.16Å; D73-A76 PolarHBondContact O-N 3.32Å; D73-A76 VanDerWaalsContact O-N 3.11Å; D73-E77 WeakPolarHBondContact O-CG 3.48Å; D73-E77 PolarHBondContact O-N 3.4Å
74Q81.4Confident78.5Confident71 Ų7177.5 Ų77.533%0.33242%0.417SS..Hα-helixtrans-57.1-38.5172.6-77.4175.728.200112.6I54 A70 C78I54-Q74 HydrophobicContact CD1-CB 4.1Å; I54-Q74 HydrophobicContact CG1-CB 4.44Å; I54-Q74 HydrophobicContact CG2-CB 4.29Å; A70-Q74 WeakPolarHBondContact O-CB 3.4Å; A70-Q74 VanDerWaalsContact O-CG 3.29Å; A70-Q74 WeakPolarHBondContact O-CG 3.46Å; A70-Q74 PolarHBondContact O-N 2.86Å; Q74-C78 WeakPolarHBondContact O-CB 3.34Å; Q74-C78 PolarHBondContact O-N 2.85Å
75F82.2Confident79.7Confident56 Ų5678.3 Ų78.325%0.24643%0.428CS..Hα-helixtrans-71.9-37.7177.6-174.2-101.1000112.2M47 C51 I54 L58 L71 L72 D73 C78 K79M47-F75 HydrophobicContact CE-CE1 3.64Å; M47-F75 HydrophobicContact CE-CE2 3.7Å; M47-F75 HydrophobicContact CE-CZ 3.07Å; C51-F75 HydrophobicContact CB-CD2 4.22Å; C51-F75 HydrophobicContact CB-CE2 4.21Å; I54-F75 HydrophobicContact CG2-CB 3.89Å; I54-F75 HydrophobicContact CG2-CD2 4.25Å; L58-F75 HydrophobicContact CD1-CB 3.84Å; L58-F75 HydrophobicContact CD1-CD2 4.08Å; L58-F75 HydrophobicContact CD1-CG 3.95Å; L71-F75 WeakPolarHBondContact O-CB 3.47Å; L71-F75 PolarHBondContact O-N 3.31Å; L72-F75 PolarHBondContact O-N 2.81Å; D73-F75 VanDerWaalsContact C-N 3.25Å; D73-F75 PolarHBondContact O-N 3.16Å; F75-C78 PolarHBondContact O-N 3.13Å; F75-K79 VanDerWaalsContact O-CB 3.31Å; F75-K79 WeakPolarHBondContact O-CB 3.19Å; F75-K79 PolarHBondContact O-N 2.89Å
76A83.9Confident80.8Confident55 Ų5570.3 Ų70.346%0.45539%0.385SS..Hα-helixtrans-65.6-42.3175.200000111.4L72 D73 K79 A80L72-A76 WeakPolarHBondContact O-CB 3.39Å; L72-A76 PolarHBondContact O-N 3.43Å; D73-A76 PolarHBondContact O-N 3.32Å; D73-A76 VanDerWaalsContact O-N 3.11Å; A76-K79 PolarHBondContact O-N 2.94Å; A76-A80 WeakPolarHBondContact O-CB 3.44Å; A76-A80 PolarHBondContact O-N 2.82Å
77E86.7Confident82Confident126 Ų12674.3 Ų74.359%0.58939%0.391SS*.Hα-helixtrans-60.9-49.7173.1-73.4174.4178.900111.2D73 K79 A80 D81D73-E77 WeakPolarHBondContact O-CG 3.48Å; D73-E77 PolarHBondContact O-N 3.4Å; E77-K79 VanDerWaalsContact C-N 3.28Å; E77-K79 PolarHBondContact O-N 3.38Å; E77-A80 WeakPolarHBondContact O-CA 3.47Å; E77-A80 WeakPolarHBondContact O-CB 3.49Å; E77-A80 PolarHBondContact O-N 3.35Å; E77-D81 PolarHBondContact O-N 3.34Å
78C85.1Confident82.8Confident13 Ų1373 Ų739%0.08839%0.391CS..Hα-helixtrans-60.7-38.5177.5-171.40000112.2C51 I54 Q74 F75 D81 C82C51-C78 VanDerWaalsContact CA-SG 3.52Å; C51-C78 HydrophobicContact CB-CB 4.04Å; C51-C78 WeakPolarHBondContact CB-SG 3.4Å; C51-C78 WeakPolarHBondContact SG-CB 3.48Å; C51-C78 CovalentContact SG-SG 2.03Å; C51-C78 PolarHBondContact SG-SG 3.22Å; I54-C78 HydrophobicContact CD1-CB 4.06Å; Q74-C78 WeakPolarHBondContact O-CB 3.34Å; Q74-C78 PolarHBondContact O-N 2.85Å; F75-C78 PolarHBondContact O-N 3.13Å; C78-D81 PolarHBondContact O-N 3.33Å; C78-C82 PolarHBondContact O-N 3.31Å; C78-C82 VanDerWaalsContact O-N 3.07Å; C78-C82 PolarHBondContact O-SG 3.4Å
79K84.2Confident83.6Confident90 Ų9072 Ų7239%0.39138%0.384SS..Hα-helixtrans-63-43.8172.5-179-176.4166.8-166.80111.3M47 F75 A76 E77 D81 C82 E83M47-K79 HydrophobicContact CE-CB 4.38Å; M47-K79 HydrophobicContact CE-CG 4.41Å; M47-K79 HydrophobicContact SD-CG 4.39Å; F75-K79 VanDerWaalsContact O-CB 3.31Å; F75-K79 WeakPolarHBondContact O-CB 3.19Å; F75-K79 PolarHBondContact O-N 2.89Å; A76-K79 PolarHBondContact O-N 2.94Å; E77-K79 VanDerWaalsContact C-N 3.28Å; E77-K79 PolarHBondContact O-N 3.38Å; K79-D81 VanDerWaalsContact C-N 3.32Å; K79-D81 PolarHBondContact O-N 3.02Å; K79-C82 WeakPolarHBondContact O-CB 3.45Å; K79-C82 PolarHBondContact O-N 3.5Å; K79-E83 WeakPolarHBondContact CE-OE1 3.44Å; K79-E83 IonicContact NZ-OE1 2.81Å; K79-E83 WeakPolarHBondContact O-CG 3.32Å; K79-E83 PolarHBondContact O-N 3.35Å
80A87.3Confident84.1Confident49 Ų4966 Ų6641%0.40536%0.364SS..Hα-helixtrans-62.8-38.3178.100000112.1A76 E77 E83 K84A76-A80 WeakPolarHBondContact O-CB 3.44Å; A76-A80 PolarHBondContact O-N 2.82Å; E77-A80 WeakPolarHBondContact O-CA 3.47Å; E77-A80 WeakPolarHBondContact O-CB 3.49Å; E77-A80 PolarHBondContact O-N 3.35Å; A80-E83 PolarHBondContact O-N 2.91Å; A80-K84 WeakPolarHBondContact O-CB 3.49Å; A80-K84 PolarHBondContact O-N 2.97Å
81D86Confident84.6Confident87 Ų8766.7 Ų66.747%0.46536%0.36SS..Hα-helixtrans-64.9-41.4174.2-75.5-26.1000112E77 C78 K79 K84 A85E77-D81 PolarHBondContact O-N 3.34Å; C78-D81 PolarHBondContact O-N 3.33Å; K79-D81 VanDerWaalsContact C-N 3.32Å; K79-D81 PolarHBondContact O-N 3.02Å; D81-K84 WeakPolarHBondContact O-CB 3.47Å; D81-K84 PolarHBondContact O-N 3.08Å; D81-A85 PolarHBondContact O-N 3.28Å
82C86Confident84.9Confident0 Ų069.4 Ų69.40%037%0.372CS..Hα-helixtrans-63.4-42.4172.7-74.70000112.5C46 M47 C78 K79 K84 A85 N86C46-C82 HydrophobicContact CB-CB 3.72Å; C46-C82 WeakPolarHBondContact CB-SG 3.48Å; C46-C82 WeakPolarHBondContact SG-CA 3.25Å; C46-C82 WeakPolarHBondContact SG-CB 3.49Å; C46-C82 CovalentContact SG-SG 2.04Å; C46-C82 PolarHBondContact SG-SG 3.09Å; M47-C82 HydrophobicContact CG-CB 4.46Å; M47-C82 PolarHBondContact N-SG 2.98Å; C78-C82 PolarHBondContact O-N 3.31Å; C78-C82 VanDerWaalsContact O-N 3.07Å; C78-C82 PolarHBondContact O-SG 3.4Å; K79-C82 WeakPolarHBondContact O-CB 3.45Å; K79-C82 PolarHBondContact O-N 3.5Å; C82-K84 VanDerWaalsContact C-N 3.3Å; C82-K84 PolarHBondContact O-N 2.66Å; C82-A85 PolarHBondContact O-N 3.39Å; C82-N86 PolarHBondContact O-N 3.2Å; C82-N86 PolarHBondContact O-ND2 3Å
83E86.2Confident85.2Confident55 Ų5565.8 Ų65.826%0.25735%0.353SS..Hα-helixtrans-62.8-39.1174.7-73.8-179.1168.900111.2Y39 K79 A80 N86 K87 L90Y39-E83 WeakPolarHBondContact OH-CG 3.34Å; Y39-E83 PolarHBondContact OH-OE1 3.41Å; Y39-E83 VanDerWaalsContact OH-OE1 3.07Å; K79-E83 WeakPolarHBondContact CE-OE1 3.44Å; K79-E83 IonicContact NZ-OE1 2.81Å; K79-E83 WeakPolarHBondContact O-CG 3.32Å; K79-E83 PolarHBondContact O-N 3.35Å; A80-E83 PolarHBondContact O-N 2.91Å; E83-N86 CarbonylContact O-C 3.54Å; E83-N86 PolarHBondContact O-N 3.43Å; E83-N86 VanDerWaalsContact O-N 3.15Å; E83-K87 PolarHBondContact O-N 2.92Å; E83-L90 HydrophobicContact CB-CD1 3.91Å; E83-L90 HydrophobicContact CG-CD1 4.42Å; E83-L90 WeakPolarHBondContact O-CD1 3.26Å
84K86.7Confident85.4Confident158 Ų15867.6 Ų67.669%0.68736%0.357SS*.Hα-helixtrans-64.7-38.5175.7-174.3-179.7178.5-176.80112.8A80 D81 C82 N86 K87A80-K84 WeakPolarHBondContact O-CB 3.49Å; A80-K84 PolarHBondContact O-N 2.97Å; D81-K84 WeakPolarHBondContact O-CB 3.47Å; D81-K84 PolarHBondContact O-N 3.08Å; C82-K84 VanDerWaalsContact C-N 3.3Å; C82-K84 PolarHBondContact O-N 2.66Å; K84-N86 PolarHBondContact O-N 3.34Å; K84-K87 VanDerWaalsContact O-CB 3.27Å; K84-K87 WeakPolarHBondContact O-CB 3.47Å; K84-K87 PolarHBondContact O-N 3Å
85A80.9Confident85.6Confident77 Ų7768.4 Ų68.464%0.63636%0.364SS*.Hα-helixtrans-65.5-30.6174.100000112.2D81 C82D81-A85 PolarHBondContact O-N 3.28Å; C82-A85 PolarHBondContact O-N 3.39Å
86N84.3Confident85.8Confident14 Ų1466.6 Ų66.68%0.07536%0.356CS..THydrogen-bonded Turntrans-97.522.4179.4-64.6-67.1000113.1Y39 E42 V43 C82 E83 K84 S88 I89 L90Y39-N86 HydrophobicContact CD2-CB 4.34Å; E42-N86 WeakPolarHBondContact CB-OD1 3.31Å; E42-N86 PolarHBondContact OE2-OD1 3.3Å; V43-N86 HydrophobicContact CG2-CB 4.21Å; C82-N86 PolarHBondContact O-N 3.2Å; C82-N86 PolarHBondContact O-ND2 3Å; E83-N86 CarbonylContact O-C 3.54Å; E83-N86 PolarHBondContact O-N 3.43Å; E83-N86 VanDerWaalsContact O-N 3.15Å; K84-N86 PolarHBondContact O-N 3.34Å; N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact O-N 3.38Å; N86-I89 PolarHBondContact O-N 3.45Å; N86-L90 PolarHBondContact O-N 2.81Å; N86-L90 VanDerWaalsContact O-N 3.13Å
87K86Confident86Confident123 Ų12367.5 Ų67.554%0.53535%0.354SS..Hα-helixtrans-57.5-39.8-173.2-178.1179.8176.9-1720113.2E83 K84 I89 L90 D91E83-K87 PolarHBondContact O-N 2.92Å; K84-K87 VanDerWaalsContact O-CB 3.27Å; K84-K87 WeakPolarHBondContact O-CB 3.47Å; K84-K87 PolarHBondContact O-N 3Å; K87-I89 VanDerWaalsContact C-N 3.3Å; K87-I89 PolarHBondContact O-N 2.67Å; K87-L90 WeakPolarHBondContact O-CB 3.49Å; K87-L90 PolarHBondContact O-N 3.12Å; K87-L90 VanDerWaalsContact O-N 3.15Å; K87-D91 VanDerWaalsContact O-CG 3.31Å; K87-D91 PolarHBondContact O-N 3.14Å
88S85.3Confident86Confident90 Ų9064.4 Ų64.463%0.62934%0.338SS*.Hα-helixtrans-58.8-41.5-179.653.50000112.7N86 D91 E92N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact O-N 3.38Å; S88-D91 PolarHBondContact O-N 3.33Å; S88-E92 PolarHBondContact O-N 3.47Å
89I85.5Confident86.1Confident20 Ų2065 Ų6510%0.10334%0.339CS..Hα-helixtrans-73.7-36.8178.1-59159.4000110.4A35 V38 E42 N86 K87 D91 E92 I93A35-I89 HydrophobicContact CB-CG2 4.09Å; A35-I89 VanDerWaalsContact O-CG2 3.24Å; A35-I89 WeakPolarHBondContact O-CG2 3.23Å; V38-I89 HydrophobicContact CB-CD1 4.3Å; V38-I89 HydrophobicContact CG1-CD1 3.51Å; V38-I89 HydrophobicContact CG1-CG1 4.49Å; E42-I89 WeakPolarHBondContact OE2-CD1 3.29Å; N86-I89 PolarHBondContact O-N 3.45Å; K87-I89 VanDerWaalsContact C-N 3.3Å; K87-I89 PolarHBondContact O-N 2.67Å; I89-D91 VanDerWaalsContact C-N 3.31Å; I89-D91 PolarHBondContact O-N 2.95Å; I89-E92 PolarHBondContact O-N 3.3Å; I89-I93 HydrophobicContact CG2-CD1 3.93Å; I89-I93 HydrophobicContact CG2-CG1 4.47Å; I89-I93 VanDerWaalsContact O-CG1 3.29Å; I89-I93 WeakPolarHBondContact O-CG1 3.44Å; I89-I93 PolarHBondContact O-N 3.24Å
90L86.7Confident86.4Confident48 Ų4864.9 Ų64.925%0.25134%0.339SS..Hα-helixtrans-62.3-39.3173.8-80.5176.2000112.2Y39 E83 N86 K87 I93 K94Y39-L90 HydrophobicContact CD2-CD2 3.8Å; Y39-L90 HydrophobicContact CD2-CG 3.92Å; Y39-L90 HydrophobicContact CE1-CD2 4.43Å; Y39-L90 HydrophobicContact CE2-CD1 3.94Å; Y39-L90 HydrophobicContact CE2-CD2 3.28Å; Y39-L90 HydrophobicContact CE2-CG 3.51Å; E83-L90 HydrophobicContact CB-CD1 3.91Å; E83-L90 HydrophobicContact CG-CD1 4.42Å; E83-L90 WeakPolarHBondContact O-CD1 3.26Å; N86-L90 PolarHBondContact O-N 2.81Å; N86-L90 VanDerWaalsContact O-N 3.13Å; K87-L90 WeakPolarHBondContact O-CB 3.49Å; K87-L90 PolarHBondContact O-N 3.12Å; K87-L90 VanDerWaalsContact O-N 3.15Å; L90-I93 PolarHBondContact O-N 3.26Å; L90-K94 WeakPolarHBondContact O-CB 3.31Å; L90-K94 PolarHBondContact O-N 3.11Å
91D88Confident86.4Confident69 Ų6968.9 Ų68.937%0.36935%0.347SS..Hα-helixtrans-63.8-43.4176.3-70-23.9000110.2K87 S88 I89 I93 K94 D95K87-D91 VanDerWaalsContact O-CG 3.31Å; K87-D91 PolarHBondContact O-N 3.14Å; S88-D91 PolarHBondContact O-N 3.33Å; I89-D91 VanDerWaalsContact C-N 3.31Å; I89-D91 PolarHBondContact O-N 2.95Å; D91-I93 PolarHBondContact O-N 3.2Å; D91-K94 PolarHBondContact O-N 2.9Å; D91-D95 PolarHBondContact O-N 3.48Å
92E84.7Confident86.5Confident84 Ų8465.1 Ų65.139%0.39333%0.327SS..Hα-helixtrans-62.1-42.3174.3-173.4178-176.100112.6A35 S88 I89 K94 I96A35-E92 HydrophobicContact CB-CG 4.38Å; S88-E92 PolarHBondContact O-N 3.47Å; I89-E92 PolarHBondContact O-N 3.3Å; E92-K94 VanDerWaalsContact C-N 3.35Å; E92-I96 HydrophobicContact CG-CD1 4.49Å; E92-I96 WeakPolarHBondContact O-CG1 3.23Å; E92-I96 PolarHBondContact O-N 3.28Å
93I88Confident86.7Confident16 Ų1666.7 Ų66.78%0.08234%0.335CS..Hα-helixtrans-62.8-43.8175.4-72.1164.9000110.4Y32 A35 M36 Y39 I89 L90 D91 I96 D97Y32-I93 HydrophobicContact CE2-CG2 3.94Å; A35-I93 HydrophobicContact CB-CG1 3.99Å; M36-I93 HydrophobicContact CE-CD1 3.77Å; M36-I93 HydrophobicContact CE-CG1 4.12Å; M36-I93 HydrophobicContact CE-CG2 3.63Å; M36-I93 HydrophobicContact SD-CD1 4.28Å; Y39-I93 HydrophobicContact CD1-CD1 4.34Å; Y39-I93 HydrophobicContact CD2-CD1 4.48Å; Y39-I93 HydrophobicContact CG-CD1 3.93Å; I89-I93 HydrophobicContact CG2-CD1 3.93Å; I89-I93 HydrophobicContact CG2-CG1 4.47Å; I89-I93 VanDerWaalsContact O-CG1 3.29Å; I89-I93 WeakPolarHBondContact O-CG1 3.44Å; I89-I93 PolarHBondContact O-N 3.24Å; L90-I93 PolarHBondContact O-N 3.26Å; D91-I93 PolarHBondContact O-N 3.2Å; I93-I96 PolarHBondContact O-N 2.98Å; I93-D97 WeakPolarHBondContact O-CB 3.43Å; I93-D97 PolarHBondContact O-N 3.48Å
94K88Confident86.9Confident118 Ų11867.3 Ų67.351%0.51334%0.34SS..Hα-helixtrans-65-40.2-177.5-175-178-179.7-1740111.7L90 D91 E92 D97 K98L90-K94 WeakPolarHBondContact O-CB 3.31Å; L90-K94 PolarHBondContact O-N 3.11Å; D91-K94 PolarHBondContact O-N 2.9Å; E92-K94 VanDerWaalsContact C-N 3.35Å; K94-D97 PolarHBondContact O-N 2.93Å; K94-K98 WeakPolarHBondContact O-CG 3.47Å; K94-K98 PolarHBondContact O-N 3.5Å
95D86.9Confident87Confident88 Ų8862.3 Ų62.347%0.47132%0.32SS..Hα-helixtrans-64.8-43177.8-76.7-13.6000111.8D91 D97 K98 K99D91-D95 PolarHBondContact O-N 3.48Å; D95-D97 VanDerWaalsContact C-N 3.34Å; D95-K98 PolarHBondContact O-N 3.47Å; D95-K99 PolarHBondContact O-N 2.84Å
96I85.4Confident87.3Confident18 Ų1858.7 Ų58.79%0.09229%0.29CS..Hα-helixtrans-68.2-36.5175.8-61.1171000111L24 K31 Y32 E92 I93 K99 K100L24-I96 HydrophobicContact CD1-CG2 3.96Å; L24-I96 HydrophobicContact CD2-CG2 3.78Å; K31-I96 HydrophobicContact CB-CD1 4.3Å; Y32-I96 HydrophobicContact CD2-CB 3.92Å; Y32-I96 HydrophobicContact CD2-CD1 4.37Å; Y32-I96 HydrophobicContact CD2-CG2 3.71Å; Y32-I96 HydrophobicContact CG-CG2 4.07Å; E92-I96 HydrophobicContact CG-CD1 4.49Å; E92-I96 WeakPolarHBondContact O-CG1 3.23Å; E92-I96 PolarHBondContact O-N 3.28Å; I93-I96 PolarHBondContact O-N 2.98Å; I96-K99 PolarHBondContact O-N 2.81Å; I96-K100 WeakPolarHBondContact O-CB 3.39Å; I96-K100 PolarHBondContact O-N 3.36Å
97D87.3Confident87.5Confident74 Ų7460.9 Ų60.940%0.39630%0.304SS..Hα-helixtrans-66.7-39.9176.6-167.662.5000112.3I93 K94 D95 K99 K100 K101I93-D97 WeakPolarHBondContact O-CB 3.43Å; I93-D97 PolarHBondContact O-N 3.48Å; K94-D97 PolarHBondContact O-N 2.93Å; D95-D97 VanDerWaalsContact C-N 3.34Å; D97-K99 VanDerWaalsContact C-N 3.33Å; D97-K99 PolarHBondContact O-N 3.37Å; D97-K100 PolarHBondContact O-N 3.43Å; D97-K101 VanDerWaalsContact O-CB 3.29Å; D97-K101 WeakPolarHBondContact O-CB 3.42Å; D97-K101 PolarHBondContact O-N 3.03Å
98K87.7Confident87.6Confident62 Ų6260.9 Ų60.927%0.2731%0.306SS..Hα-helixtrans-55.6-48.7171.3-77.8180176.8-175.80111K94 D95 K101 C102 Y125 S128K94-K98 WeakPolarHBondContact O-CG 3.47Å; K94-K98 PolarHBondContact O-N 3.5Å; D95-K98 PolarHBondContact O-N 3.47Å; K98-K101 PolarHBondContact O-N 3Å; K98-C102 PolarHBondContact O-N 3.15Å; K98-Y125 HydrophobicContact CB-CE2 4.26Å; K98-S128 PolarHBondContact NZ-O 3.04Å; K98-S128 VanDerWaalsContact NZ-O 3.16Å
99K88.1Confident87.8Confident24 Ų2460.4 Ų60.410%0.10429%0.291CS..Hα-helixtrans-61.8-46.3178.9-175170.7-178.9-167.40111.4K21 V22 E23 L24 E28 D95 I96 D97 C102 H103 Y125K21-K99 WeakPolarHBondContact O-CE 3.06Å; V22-K99 VanDerWaalsContact O-CE 3.23Å; V22-K99 WeakPolarHBondContact O-CE 3.43Å; V22-K99 VanDerWaalsContact O-CG 3.26Å; V22-K99 WeakPolarHBondContact O-CG 3.15Å; E23-K99 PolarHBondContact O-NZ 3.36Å; L24-K99 HydrophobicContact CD2-CB 4.17Å; L24-K99 HydrophobicContact CD2-CD 3.8Å; L24-K99 HydrophobicContact CD2-CG 3.91Å; E28-K99 IonicContact OE1-NZ 2.69Å; E28-K99 PolarHBondContact OE1-NZ 3.5Å; E28-K99 IonicContact OE2-NZ 3.63Å; E28-K99 PolarHBondContact OE2-NZ 3.25Å; D95-K99 PolarHBondContact O-N 2.84Å; I96-K99 PolarHBondContact O-N 2.81Å; D97-K99 VanDerWaalsContact C-N 3.33Å; D97-K99 PolarHBondContact O-N 3.37Å; K99-C102 WeakPolarHBondContact O-CB 3.39Å; K99-C102 PolarHBondContact O-N 3.18Å; K99-H103 PolarHBondContact O-N 3.41Å; K99-Y125 HydrophobicContact CB-CE2 4.01Å; K99-Y125 WeakPolarHBondContact CB-OH 3.29Å
100K88.6Confident87.8Confident89 Ų8961.4 Ų61.439%0.38730%0.296SS..Hα-helixtrans-60.1-47.3176.5-170.8-173.2168.8-168.80112.1L24 I96 D97 C102 H103 D104L24-K100 HydrophobicContact CD1-CB 3.99Å; L24-K100 HydrophobicContact CD1-CG 4.18Å; I96-K100 WeakPolarHBondContact O-CB 3.39Å; I96-K100 PolarHBondContact O-N 3.36Å; D97-K100 PolarHBondContact O-N 3.43Å; K100-C102 VanDerWaalsContact C-N 3.32Å; K100-C102 PolarHBondContact O-N 2.89Å; K100-H103 WeakPolarHBondContact O-CB 3.3Å; K100-H103 PolarHBondContact O-N 3.43Å; K100-H103 VanDerWaalsContact O-N 3.15Å; K100-D104 PolarHBondContact O-N 2.91Å
101K88.2Confident87.9Confident133 Ų13363.2 Ų63.258%0.57832%0.318SS*.Hα-helixtrans-61.1-41.9179.5-174.8177.9-179.3-179.30111.4D97 K98 D104 I105D97-K101 VanDerWaalsContact O-CB 3.29Å; D97-K101 WeakPolarHBondContact O-CB 3.42Å; D97-K101 PolarHBondContact O-N 3.03Å; K98-K101 PolarHBondContact O-N 3Å; K101-D104 PolarHBondContact O-N 2.84Å; K101-I105 HydrophobicContact CG-CD1 3.97Å; K101-I105 WeakPolarHBondContact O-CB 3.42Å; K101-I105 WeakPolarHBondContact O-CD1 3.25Å; K101-I105 VanDerWaalsContact O-CG1 3.23Å; K101-I105 WeakPolarHBondContact O-CG1 3.38Å; K101-I105 PolarHBondContact O-N 3.33Å
102C88.8Confident87.9Confident7 Ų765.5 Ų65.55%0.04733%0.329CS..Hα-helixtrans-58.7-50.5172.7-177.10000111.2K98 K99 K100 D104 I105 M106 Y125K98-C102 PolarHBondContact O-N 3.15Å; K99-C102 WeakPolarHBondContact O-CB 3.39Å; K99-C102 PolarHBondContact O-N 3.18Å; K100-C102 VanDerWaalsContact C-N 3.32Å; K100-C102 PolarHBondContact O-N 2.89Å; C102-D104 PolarHBondContact O-N 3.22Å; C102-I105 PolarHBondContact O-N 3.33Å; C102-M106 WeakPolarHBondContact O-CB 3.43Å; C102-M106 VanDerWaalsContact O-CG 3.31Å; C102-M106 WeakPolarHBondContact O-CG 3.5Å; C102-M106 PolarHBondContact O-N 3.18Å; C102-Y125 HydrophobicContact CB-CD1 4.36Å; C102-Y125 HydrophobicContact CB-CD2 3.82Å; C102-Y125 HydrophobicContact CB-CG 3.68Å; C102-Y125 WeakPolarHBondContact SG-CB 3.35Å
103H89.1Confident87.9Confident34 Ų3463.9 Ų63.916%0.15734%0.335CS..Hα-helixtrans-57.2-48.8178.2174.7-87.3000112V22 E23 K99 K100 I105 M106 V107V22-H103 HydrophobicContact CB-CB 4.36Å; V22-H103 HydrophobicContact CG2-CB 3.91Å; E23-H103 WeakPolarHBondContact CA-CD2 3.44Å; K99-H103 PolarHBondContact O-N 3.41Å; K100-H103 WeakPolarHBondContact O-CB 3.3Å; K100-H103 PolarHBondContact O-N 3.43Å; K100-H103 VanDerWaalsContact O-N 3.15Å; H103-I105 VanDerWaalsContact C-N 3.32Å; H103-I105 PolarHBondContact O-N 2.88Å; H103-M106 PolarHBondContact O-N 2.95Å; H103-V107 VanDerWaalsContact CE1-CG2 3.47Å; H103-V107 WeakPolarHBondContact CE1-CG2 3.31Å; H103-V107 WeakPolarHBondContact O-CG2 3.42Å; H103-V107 PolarHBondContact O-N 3.24Å
104D89.7Confident87.8Confident67 Ų6769 Ų6936%0.35835%0.354SS..Hα-helixtrans-61.9-40.2-179-68.6-12.2000111.7K100 K101 C102 Q108K100-D104 PolarHBondContact O-N 2.91Å; K101-D104 PolarHBondContact O-N 2.84Å; C102-D104 PolarHBondContact O-N 3.22Å; D104-Q108 VanDerWaalsContact O-CG 3.25Å; D104-Q108 WeakPolarHBondContact O-CG 3.5Å; D104-Q108 PolarHBondContact O-N 2.93Å
105I89.3Confident87.6Confident54 Ų5465 Ų6528%0.27734%0.338SS..Hα-helixtrans-64.9-45.4174.3-70.3168.8000111K101 C102 H103 V107 Q108 Y109 A121K101-I105 HydrophobicContact CG-CD1 3.97Å; K101-I105 WeakPolarHBondContact O-CB 3.42Å; K101-I105 WeakPolarHBondContact O-CD1 3.25Å; K101-I105 VanDerWaalsContact O-CG1 3.23Å; K101-I105 WeakPolarHBondContact O-CG1 3.38Å; K101-I105 PolarHBondContact O-N 3.33Å; C102-I105 PolarHBondContact O-N 3.33Å; H103-I105 VanDerWaalsContact C-N 3.32Å; H103-I105 PolarHBondContact O-N 2.88Å; I105-V107 PolarHBondContact O-N 3.11Å; I105-Q108 PolarHBondContact O-N 3.04Å; I105-Y109 HydrophobicContact CG2-CD2 3.55Å; I105-Y109 HydrophobicContact CG2-CE2 3.26Å; I105-Y109 WeakPolarHBondContact O-CD2 3.39Å; I105-Y109 PolarHBondContact O-N 2.89Å; I105-A121 HydrophobicContact CG2-CB 3.68Å
106M87.8Confident87.5Confident0 Ų063.4 Ų63.40%033%0.33CS..Hα-helixtrans-61.7-44.5178.1-73.7-178.37200111.7D18 L19 V22 C102 H103 Q108 Y109 L110 A118 A121 Y122D18-M106 HydrophobicContact CB-CE 3.99Å; L19-M106 HydrophobicContact CB-CE 4.2Å; L19-M106 HydrophobicContact CD1-CB 3.8Å; V22-M106 HydrophobicContact CG1-SD 4.45Å; V22-M106 HydrophobicContact CG2-CE 4.49Å; V22-M106 HydrophobicContact CG2-SD 3.42Å; V22-M106 WeakPolarHBondContact CG2-SD 3.42Å; C102-M106 WeakPolarHBondContact O-CB 3.43Å; C102-M106 VanDerWaalsContact O-CG 3.31Å; C102-M106 WeakPolarHBondContact O-CG 3.5Å; C102-M106 PolarHBondContact O-N 3.18Å; H103-M106 PolarHBondContact O-N 2.95Å; M106-Q108 VanDerWaalsContact C-N 3.3Å; M106-Q108 PolarHBondContact O-N 3.49Å; M106-Y109 PolarHBondContact O-N 3.05Å; M106-L110 WeakPolarHBondContact O-CB 3.36Å; M106-L110 VanDerWaalsContact O-CG 3.25Å; M106-L110 WeakPolarHBondContact O-CG 3.36Å; M106-L110 PolarHBondContact O-N 2.86Å; M106-A118 HydrophobicContact CB-CB 4.42Å; M106-A118 HydrophobicContact CG-CB 4.46Å; M106-A118 WeakPolarHBondContact CG-O 3.45Å; M106-A121 HydrophobicContact CG-CB 3.94Å; M106-Y122 HydrophobicContact SD-CD2 4.4Å; M106-Y122 HydrophobicContact SD-CG 4.46Å
107V88Confident87.6Confident61 Ų6165 Ų6537%0.3734%0.338SS..Hα-helixtrans-59.2-43.3175.7171.30000110.8L19 H103 I105 L110 A111L19-V107 HydrophobicContact CD1-CG2 3.76Å; L19-V107 HydrophobicContact CD2-CG2 4.46Å; H103-V107 VanDerWaalsContact CE1-CG2 3.47Å; H103-V107 WeakPolarHBondContact CE1-CG2 3.31Å; H103-V107 WeakPolarHBondContact O-CG2 3.42Å; H103-V107 PolarHBondContact O-N 3.24Å; I105-V107 PolarHBondContact O-N 3.11Å; V107-L110 PolarHBondContact O-N 3.33Å; V107-A111 VanDerWaalsContact O-CB 3.25Å; V107-A111 WeakPolarHBondContact O-CB 3.38Å; V107-A111 PolarHBondContact O-N 3.46Å
108Q89Confident87.5Confident123 Ų12361.4 Ų61.458%0.57532%0.319SS*.Hα-helixtrans-61.8-46.9177.1-73.9171.719.500111.8D104 I105 M106 A111 L112D104-Q108 VanDerWaalsContact O-CG 3.25Å; D104-Q108 WeakPolarHBondContact O-CG 3.5Å; D104-Q108 PolarHBondContact O-N 2.93Å; I105-Q108 PolarHBondContact O-N 3.04Å; M106-Q108 VanDerWaalsContact C-N 3.3Å; M106-Q108 PolarHBondContact O-N 3.49Å; Q108-A111 PolarHBondContact O-N 3.32Å; Q108-L112 VanDerWaalsContact O-CG 3.32Å; Q108-L112 WeakPolarHBondContact O-CG 3.3Å; Q108-L112 PolarHBondContact O-N 3.38Å; Q108-L112 VanDerWaalsContact O-N 3.15Å
109Y88.9Confident87.3Confident80 Ų8060.4 Ų60.431%0.31432%0.315SS..Hα-helixtrans-65.3-41.7178.6-75.5-42.5000112.8I105 M106 L112 G113 Y114 L117 A121I105-Y109 HydrophobicContact CG2-CD2 3.55Å; I105-Y109 HydrophobicContact CG2-CE2 3.26Å; I105-Y109 WeakPolarHBondContact O-CD2 3.39Å; I105-Y109 PolarHBondContact O-N 2.89Å; M106-Y109 PolarHBondContact O-N 3.05Å; Y109-L112 CarbonylContact O-C 3.53Å; Y109-L112 PolarHBondContact O-N 2.69Å; Y109-G113 PolarHBondContact O-N 3.41Å; Y109-G113 VanDerWaalsContact O-N 3.08Å; Y109-Y114 WeakPolarHBondContact CB-O 3.47Å; Y109-Y114 HydrophobicContact CD1-CD2 4.28Å; Y109-Y114 PolarHBondContact O-N 3.26Å; Y109-L117 HydrophobicContact CD1-CB 3.67Å; Y109-L117 HydrophobicContact CD1-CD1 3.86Å; Y109-L117 HydrophobicContact CD1-CG 4.43Å; Y109-L117 VanDerWaalsContact CD2-C 3.49Å; Y109-L117 HydrophobicContact CD2-CB 3.71Å; Y109-L117 WeakPolarHBondContact CD2-O 3.5Å; Y109-L117 HydrophobicContact CE1-CB 3.85Å; Y109-L117 HydrophobicContact CE1-CD1 3.58Å; Y109-L117 HydrophobicContact CE1-CG 4.36Å; Y109-L117 HydrophobicContact CE2-CB 3.85Å; Y109-L117 HydrophobicContact CG-CB 3.63Å; Y109-A121 HydrophobicContact CD2-CB 4.34Å; Y109-A121 HydrophobicContact CE2-CB 4.35Å
110L86Confident87.2Confident41 Ų4165.3 Ų65.322%0.21533%0.333CS..Hα-helixtrans-61.9-43174.6-75.8173.9000111.9V15 L19 M106 V107 L112 G113 N115 A118V15-L110 HydrophobicContact CB-CD2 4.47Å; V15-L110 HydrophobicContact CG1-CD1 4.42Å; V15-L110 HydrophobicContact CG1-CD2 3.54Å; V15-L110 HydrophobicContact CG1-CG 4.31Å; L19-L110 HydrophobicContact CB-CD1 4.2Å; L19-L110 HydrophobicContact CD1-CD1 4.19Å; L19-L110 HydrophobicContact CD2-CD1 3.72Å; L19-L110 HydrophobicContact CG-CD1 4.25Å; M106-L110 WeakPolarHBondContact O-CB 3.36Å; M106-L110 VanDerWaalsContact O-CG 3.25Å; M106-L110 WeakPolarHBondContact O-CG 3.36Å; M106-L110 PolarHBondContact O-N 2.86Å; V107-L110 PolarHBondContact O-N 3.33Å; L110-L112 PolarHBondContact O-N 3.06Å; L110-G113 PolarHBondContact O-N 3.12Å; L110-N115 WeakPolarHBondContact CD2-OD1 3.05Å; L110-A118 HydrophobicContact CD2-CB 4.15Å; L110-A118 HydrophobicContact CG-CB 3.93Å
111A87.2Confident87.2Confident85 Ų8561.8 Ų61.870%0.70232%0.32SS*.Hα-helixtrans-62.8-28.2177.200000112.6V107 Q108V107-A111 VanDerWaalsContact O-CB 3.25Å; V107-A111 WeakPolarHBondContact O-CB 3.38Å; V107-A111 PolarHBondContact O-N 3.46Å; Q108-A111 PolarHBondContact O-N 3.32Å
112L89.1Confident87Confident118 Ų11857 Ų5762%0.61830%0.299SS*.THydrogen-bonded Turntrans-90.7-2.2176-64.8171.4000113.5Q108 Y109 L110 Y114Q108-L112 VanDerWaalsContact O-CG 3.32Å; Q108-L112 WeakPolarHBondContact O-CG 3.3Å; Q108-L112 PolarHBondContact O-N 3.38Å; Q108-L112 VanDerWaalsContact O-N 3.15Å; Y109-L112 CarbonylContact O-C 3.53Å; Y109-L112 PolarHBondContact O-N 2.69Å; L110-L112 PolarHBondContact O-N 3.06Å; L112-Y114 VanDerWaalsContact C-N 3.29Å; L112-Y114 HydrophobicContact CB-CD2 3.48Å; L112-Y114 VanDerWaalsContact CB-CD2 3.48Å; L112-Y114 HydrophobicContact CB-CE2 3.71Å; L112-Y114 HydrophobicContact CB-CG 4.41Å; L112-Y114 HydrophobicContact CD1-CD2 4.11Å; L112-Y114 HydrophobicContact CD1-CE2 4.08Å; L112-Y114 HydrophobicContact CG-CD2 4.45Å; L112-Y114 HydrophobicContact CG-CE2 4.47Å; L112-Y114 PolarHBondContact O-N 3.27Å
113G85.2Confident86.9Confident49 Ų4959.8 Ų59.851%0.50531%0.313SS..THydrogen-bonded Turntrans76.97.8-176.600000115Y109 L110 N115Y109-G113 PolarHBondContact O-N 3.41Å; Y109-G113 VanDerWaalsContact O-N 3.08Å; L110-G113 PolarHBondContact O-N 3.12Å; G113-N115 VanDerWaalsContact C-N 3.27Å; G113-N115 PolarHBondContact O-N 3.17Å; G113-N115 VanDerWaalsContact O-N 3.09Å
114Y85.9Confident86.7Confident124 Ų12463.6 Ų63.649%0.48633%0.334SS..  trans-85.863.8176.9-59.4-54.7000111.7Y109 L112 D116 L117 A118Y109-Y114 WeakPolarHBondContact CB-O 3.47Å; Y109-Y114 HydrophobicContact CD1-CD2 4.28Å; Y109-Y114 PolarHBondContact O-N 3.26Å; L112-Y114 VanDerWaalsContact C-N 3.29Å; L112-Y114 HydrophobicContact CB-CD2 3.48Å; L112-Y114 VanDerWaalsContact CB-CD2 3.48Å; L112-Y114 HydrophobicContact CB-CE2 3.71Å; L112-Y114 HydrophobicContact CB-CG 4.41Å; L112-Y114 HydrophobicContact CD1-CD2 4.11Å; L112-Y114 HydrophobicContact CD1-CE2 4.08Å; L112-Y114 HydrophobicContact CG-CD2 4.45Å; L112-Y114 HydrophobicContact CG-CE2 4.47Å; L112-Y114 PolarHBondContact O-N 3.27Å; Y114-D116 VanDerWaalsContact C-N 3.28Å; Y114-D116 PolarHBondContact O-N 3.15Å; Y114-L117 HydrophobicContact CD2-CD1 4.37Å; Y114-L117 HydrophobicContact CG-CD1 4.03Å; Y114-L117 WeakPolarHBondContact O-CB 3.46Å; Y114-L117 PolarHBondContact O-N 3.3Å; Y114-L117 VanDerWaalsContact O-N 3.1Å; Y114-A118 PolarHBondContact O-N 2.92Å
115N83.5Confident86.6Confident34 Ų3462.1 Ų62.118%0.18232%0.324CS..Hα-helixtrans-65.1-30.7-174-62.5-33.5000113.3W8 L110 G113 L117 A118 E119W8-N115 HydrophobicContact CE3-CB 4Å; W8-N115 HydrophobicContact CH2-CB 3.06Å; W8-N115 VanDerWaalsContact CH2-CG 3.41Å; W8-N115 WeakPolarHBondContact CH2-ND2 3.41Å; W8-N115 HydrophobicContact CZ2-CB 4.09Å; W8-N115 HydrophobicContact CZ3-CB 3.01Å; W8-N115 VanDerWaalsContact CZ3-ND2 3.29Å; W8-N115 WeakPolarHBondContact CZ3-ND2 3.48Å; L110-N115 WeakPolarHBondContact CD2-OD1 3.05Å; G113-N115 VanDerWaalsContact C-N 3.27Å; G113-N115 PolarHBondContact O-N 3.17Å; G113-N115 VanDerWaalsContact O-N 3.09Å; N115-L117 VanDerWaalsContact C-N 3.33Å; N115-A118 WeakPolarHBondContact O-CB 3.39Å; N115-A118 PolarHBondContact O-N 3.1Å; N115-E119 PolarHBondContact O-N 3.46Å
116D84.7Confident86.3Confident55 Ų5565.8 Ų65.829%0.29434%0.335SS..Hα-helixtrans-65.3-37.2173.469.8-50.2000111.6Y114 E119 R120Y114-D116 VanDerWaalsContact C-N 3.28Å; Y114-D116 PolarHBondContact O-N 3.15Å; D116-E119 PolarHBondContact O-N 3.19Å; D116-R120 VanDerWaalsContact O-CG 3.3Å; D116-R120 WeakPolarHBondContact O-CG 3.25Å; D116-R120 PolarHBondContact O-N 3.01Å; D116-R120 IonicContact OD2-NH2 2.67Å
117L86.6Confident86.1Confident50 Ų5069.4 Ų69.426%0.26236%0.357SS..Hα-helixtrans-70.6-35.3173.6-63.2-175.8000111.7Y109 Y114 N115 R120 A121Y109-L117 HydrophobicContact CD1-CB 3.67Å; Y109-L117 HydrophobicContact CD1-CD1 3.86Å; Y109-L117 HydrophobicContact CD1-CG 4.43Å; Y109-L117 VanDerWaalsContact CD2-C 3.49Å; Y109-L117 HydrophobicContact CD2-CB 3.71Å; Y109-L117 WeakPolarHBondContact CD2-O 3.5Å; Y109-L117 HydrophobicContact CE1-CB 3.85Å; Y109-L117 HydrophobicContact CE1-CD1 3.58Å; Y109-L117 HydrophobicContact CE1-CG 4.36Å; Y109-L117 HydrophobicContact CE2-CB 3.85Å; Y109-L117 HydrophobicContact CG-CB 3.63Å; Y114-L117 HydrophobicContact CD2-CD1 4.37Å; Y114-L117 HydrophobicContact CG-CD1 4.03Å; Y114-L117 WeakPolarHBondContact O-CB 3.46Å; Y114-L117 PolarHBondContact O-N 3.3Å; Y114-L117 VanDerWaalsContact O-N 3.1Å; N115-L117 VanDerWaalsContact C-N 3.33Å; L117-R120 PolarHBondContact O-N 2.93Å; L117-A121 WeakPolarHBondContact O-CB 3.48Å; L117-A121 PolarHBondContact O-N 2.87Å
118A85.9Confident85.9Confident0 Ų068.1 Ų68.10%035%0.35CS..Hα-helixtrans-62.3-45.1171.700000111.5V15 M106 L110 Y114 N115 A121 Y122V15-A118 HydrophobicContact CG1-CB 3.97Å; M106-A118 HydrophobicContact CB-CB 4.42Å; M106-A118 HydrophobicContact CG-CB 4.46Å; M106-A118 WeakPolarHBondContact CG-O 3.45Å; L110-A118 HydrophobicContact CD2-CB 4.15Å; L110-A118 HydrophobicContact CG-CB 3.93Å; Y114-A118 PolarHBondContact O-N 2.92Å; N115-A118 WeakPolarHBondContact O-CB 3.39Å; N115-A118 PolarHBondContact O-N 3.1Å; A118-A121 WeakPolarHBondContact O-CB 3.25Å; A118-A121 PolarHBondContact O-N 3.48Å; A118-Y122 PolarHBondContact O-N 2.86Å
119E84.2Confident85.4Confident40 Ų4066.4 Ų66.419%0.18735%0.345CS..Hα-helixtrans-62.8-44.5175.3-170.4-176.8168.300111.5L5 N115 D116 A121 Y122 L123L5-E119 VanDerWaalsContact CD2-CD 3.44Å; L5-E119 WeakPolarHBondContact CD2-OE1 3.29Å; L5-E119 WeakPolarHBondContact CD2-OE2 3.37Å; N115-E119 PolarHBondContact O-N 3.46Å; D116-E119 PolarHBondContact O-N 3.19Å; E119-A121 VanDerWaalsContact C-N 3.27Å; E119-A121 PolarHBondContact O-N 3.29Å; E119-Y122 WeakPolarHBondContact O-CB 3.33Å; E119-Y122 PolarHBondContact O-N 3.32Å; E119-Y122 VanDerWaalsContact O-N 3.11Å; E119-L123 HydrophobicContact CG-CD1 4.27Å; E119-L123 HydrophobicContact CG-CG 4.47Å; E119-L123 WeakPolarHBondContact O-CG 3.34Å; E119-L123 PolarHBondContact O-N 3.42Å
120R86.3Confident84.7Confident128 Ų12869.3 Ų69.348%0.48336%0.363SS..Hα-helixtrans-59.4-38.1174.1-74.1176.9-167.3-179.68.4112.4D116 L117 Y122 L123 N124D116-R120 VanDerWaalsContact O-CG 3.3Å; D116-R120 WeakPolarHBondContact O-CG 3.25Å; D116-R120 PolarHBondContact O-N 3.01Å; D116-R120 IonicContact OD2-NH2 2.67Å; L117-R120 PolarHBondContact O-N 2.93Å; R120-Y122 VanDerWaalsContact C-N 3.35Å; R120-L123 PolarHBondContact O-N 3.26Å; R120-N124 VanDerWaalsContact O-CB 3.32Å; R120-N124 WeakPolarHBondContact O-CB 3.42Å; R120-N124 PolarHBondContact O-N 3.37Å; R120-N124 PolarHBondContact O-ND2 3.15Å
121A86.9Confident83.3Confident14 Ų1477 Ų7712%0.11640%0.398CS..Hα-helixtrans-62.3-43.7175.100000111.3I105 M106 Y109 L117 A118 E119 N124 Y125I105-A121 HydrophobicContact CG2-CB 3.68Å; M106-A121 HydrophobicContact CG-CB 3.94Å; Y109-A121 HydrophobicContact CD2-CB 4.34Å; Y109-A121 HydrophobicContact CE2-CB 4.35Å; L117-A121 WeakPolarHBondContact O-CB 3.48Å; L117-A121 PolarHBondContact O-N 2.87Å; A118-A121 WeakPolarHBondContact O-CB 3.25Å; A118-A121 PolarHBondContact O-N 3.48Å; E119-A121 VanDerWaalsContact C-N 3.27Å; E119-A121 PolarHBondContact O-N 3.29Å; A121-N124 PolarHBondContact O-N 2.89Å; A121-Y125 WeakPolarHBondContact O-CB 3.32Å; A121-Y125 PolarHBondContact O-N 2.78Å
122Y85Confident83.1Confident33 Ų3376.7 Ų76.713%0.12938%0.383CS..Hα-helixtrans-61.2-47.3174.3177.5-118.5000112.7D18 K21 V22 M106 A118 E119 R120 N124 Y125 R126D18-Y122 HydrophobicContact CB-CD1 3.8Å; D18-Y122 HydrophobicContact CB-CD2 4.41Å; D18-Y122 HydrophobicContact CB-CE1 4.13Å; D18-Y122 HydrophobicContact CB-CG 3.96Å; D18-Y122 VanDerWaalsContact CG-CD1 3.45Å; D18-Y122 WeakPolarHBondContact OD1-CE1 3.47Å; D18-Y122 WeakPolarHBondContact OD2-CD1 3.27Å; K21-Y122 HydrophobicContact CB-CE2 4.18Å; K21-Y122 HydrophobicContact CD-CE2 4.49Å; K21-Y122 VanDerWaalsContact CD-OH 3.31Å; K21-Y122 WeakPolarHBondContact CD-OH 3.48Å; V22-Y122 HydrophobicContact CG1-CD2 3.52Å; V22-Y122 HydrophobicContact CG1-CE2 3.73Å; M106-Y122 HydrophobicContact SD-CD2 4.4Å; M106-Y122 HydrophobicContact SD-CG 4.46Å; A118-Y122 PolarHBondContact O-N 2.86Å; E119-Y122 WeakPolarHBondContact O-CB 3.33Å; E119-Y122 PolarHBondContact O-N 3.32Å; E119-Y122 VanDerWaalsContact O-N 3.11Å; R120-Y122 VanDerWaalsContact C-N 3.35Å; Y122-N124 PolarHBondContact O-N 3.26Å; Y122-Y125 HydrophobicContact CD2-CD1 4.44Å; Y122-Y125 WeakPolarHBondContact O-CB 3.1Å; Y122-Y125 PolarHBondContact O-N 3.47Å; Y122-R126 PolarHBondContact O-N 3.32Å
123L85.8Confident82.8Confident65 Ų6574.5 Ų74.534%0.3437%0.37SS..Hα-helixtrans-61.9-43.7178.9-68.7173.6000111.6E119 R120 Y125 R126 T127E119-L123 HydrophobicContact CG-CD1 4.27Å; E119-L123 HydrophobicContact CG-CG 4.47Å; E119-L123 WeakPolarHBondContact O-CG 3.34Å; E119-L123 PolarHBondContact O-N 3.42Å; R120-L123 PolarHBondContact O-N 3.26Å; L123-Y125 PolarHBondContact O-N 3.15Å; L123-R126 PolarHBondContact O-N 3.35Å; L123-T127 PolarHBondContact O-N 3Å; L123-T127 PolarHBondContact O-OG1 3.47Å
124N86.3Confident82.6Confident114 Ų11475.9 Ų75.961%0.6136%0.363SS*.Hα-helixtrans-61.9-43.8176-73.6-18000111.8R120 A121 Y122 R126 T127 S128R120-N124 VanDerWaalsContact O-CB 3.32Å; R120-N124 WeakPolarHBondContact O-CB 3.42Å; R120-N124 PolarHBondContact O-N 3.37Å; R120-N124 PolarHBondContact O-ND2 3.15Å; A121-N124 PolarHBondContact O-N 2.89Å; Y122-N124 PolarHBondContact O-N 3.26Å; N124-R126 VanDerWaalsContact C-N 3.34Å; N124-R126 PolarHBondContact O-N 2.83Å; N124-T127 PolarHBondContact O-N 3.45Å; N124-S128 PolarHBondContact O-N 2.85Å
125Y86.1Confident82.4Confident36 Ų3673.1 Ų73.114%0.14136%0.355CS..Hα-helixtrans-58.3-46.9174.1164-106000111.4V22 K98 K99 C102 A121 Y122 L123 T127 S128 L129V22-Y125 HydrophobicContact CG1-CD1 3.68Å; V22-Y125 HydrophobicContact CG1-CE1 3.7Å; K98-Y125 HydrophobicContact CB-CE2 4.26Å; K99-Y125 HydrophobicContact CB-CE2 4.01Å; K99-Y125 WeakPolarHBondContact CB-OH 3.29Å; C102-Y125 HydrophobicContact CB-CD1 4.36Å; C102-Y125 HydrophobicContact CB-CD2 3.82Å; C102-Y125 HydrophobicContact CB-CG 3.68Å; C102-Y125 WeakPolarHBondContact SG-CB 3.35Å; A121-Y125 WeakPolarHBondContact O-CB 3.32Å; A121-Y125 PolarHBondContact O-N 2.78Å; Y122-Y125 HydrophobicContact CD2-CD1 4.44Å; Y122-Y125 WeakPolarHBondContact O-CB 3.1Å; Y122-Y125 PolarHBondContact O-N 3.47Å; L123-Y125 PolarHBondContact O-N 3.15Å; Y125-T127 VanDerWaalsContact C-N 3.34Å; Y125-T127 PolarHBondContact O-N 2.85Å; Y125-S128 WeakPolarHBondContact O-CB 3.17Å; Y125-S128 PolarHBondContact O-N 3.09Å; Y125-S128 VanDerWaalsContact O-N 3.09Å; Y125-S128 PolarHBondContact O-OG 3.08Å; Y125-L129 HydrophobicContact CD1-CD1 4.5Å; Y125-L129 HydrophobicContact CE1-CD1 3.81Å; Y125-L129 HydrophobicContact CE2-CD1 4.23Å; Y125-L129 HydrophobicContact CE2-CD2 4.01Å; Y125-L129 HydrophobicContact CE2-CG 4.2Å; Y125-L129 PolarHBondContact O-N 3.28Å
126R83.5Confident82.4Confident132 Ų13275.5 Ų75.550%0.49837%0.366SS..Hα-helixtrans-60.6-42179-174.2-177.7173.4-170-2.4112.2Y122 L123 N124 S128 L129 M130Y122-R126 PolarHBondContact O-N 3.32Å; L123-R126 PolarHBondContact O-N 3.35Å; N124-R126 VanDerWaalsContact C-N 3.34Å; N124-R126 PolarHBondContact O-N 2.83Å; R126-S128 VanDerWaalsContact C-N 3.32Å; R126-S128 PolarHBondContact O-N 2.68Å; R126-L129 PolarHBondContact O-N 3.19Å; R126-M130 HydrophobicContact CG-CE 4.1Å
127T84.6Confident82.2Confident76 Ų7676.9 Ų76.947%0.46637%0.371SS..Hα-helixtrans-62.3-40.6174.5-58.90000111.2L123 N124 Y125 L129 M130 E131L123-T127 PolarHBondContact O-N 3Å; L123-T127 PolarHBondContact O-OG1 3.47Å; N124-T127 PolarHBondContact O-N 3.45Å; Y125-T127 VanDerWaalsContact C-N 3.34Å; Y125-T127 PolarHBondContact O-N 2.85Å; T127-L129 PolarHBondContact O-N 2.93Å; T127-L129 VanDerWaalsContact O-N 3.08Å; T127-M130 PolarHBondContact O-N 3.14Å; T127-E131 PolarHBondContact O-N 3.34Å
128S83Confident81.9Confident33 Ų3378.8 Ų78.823%0.23138%0.379CS..THydrogen-bonded Turntrans-68.1-6.1178.6810000115.8K98 N124 Y125 R126K98-S128 PolarHBondContact NZ-O 3.04Å; K98-S128 VanDerWaalsContact NZ-O 3.16Å; N124-S128 PolarHBondContact O-N 2.85Å; Y125-S128 WeakPolarHBondContact O-CB 3.17Å; Y125-S128 PolarHBondContact O-N 3.09Å; Y125-S128 VanDerWaalsContact O-N 3.09Å; Y125-S128 PolarHBondContact O-OG 3.08Å; R126-S128 VanDerWaalsContact C-N 3.32Å; R126-S128 PolarHBondContact O-N 2.68Å
129L79.1Confident81.6Confident87 Ų8784.8 Ų84.846%0.45541%0.408SS..THydrogen-bonded Turntrans-94.2-17.2171-63179.2000112.6Y125 R126 T127Y125-L129 HydrophobicContact CD1-CD1 4.5Å; Y125-L129 HydrophobicContact CE1-CD1 3.81Å; Y125-L129 HydrophobicContact CE2-CD1 4.23Å; Y125-L129 HydrophobicContact CE2-CD2 4.01Å; Y125-L129 HydrophobicContact CE2-CG 4.2Å; Y125-L129 PolarHBondContact O-N 3.28Å; R126-L129 PolarHBondContact O-N 3.19Å; T127-L129 PolarHBondContact O-N 2.93Å; T127-L129 VanDerWaalsContact O-N 3.08Å
130M73.9Confident81.4Confident141 Ų14188.6 Ų88.670%0.69543%0.426SS*.THydrogen-bonded Turntrans-93.1-14.1178.7-58.7-168.7-170.400112.8R126 T127R126-M130 HydrophobicContact CG-CE 4.1Å; T127-M130 PolarHBondContact O-N 3.14Å
131E56.1Low80.9Confident204 Ų20485 Ų8595%0.95342%0.421SS*.  trans-86.20172.7-64178.116100111.7T127T127-E131 PolarHBondContact O-N 3.34Å

Retrieved 131 of 131 residues in 252.1 ms (Link to these results)

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