A0A077ZDS1_TRITR Loading...

Actin-related protein 2/3 complex subunit 3

Functions as component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB , UniProt , Accession A0A077ZDS1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 155 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
1M59.9Low78.1Confident209 Ų209103.3 Ų103.3100%1.0355%0.546SS*.  0141.30-67.6-175.8-147.700107.9
2P76Confident78Confident117 Ų117105.5 Ų105.576%0.7657%0.571SS**PPolyproline II helixtrans-61.7159.5170.428.3-33.8000110.6
3A75.4Confident78.8Confident61 Ų61105.5 Ų105.550%0.50457%0.565SS.*PPolyproline II helixtrans-64.9144.5173.500000110.9H5A3-H5 PolarHBondContact O-CE1 3.36Å; A3-H5 PolarHBondContact O-ND1 3.45Å
4Y80.6Confident79.7Confident104 Ų104107.1 Ų107.141%0.40856%0.564SS.*PPolyproline II helixtrans-75.1135.9171.5-63.8-89.9000109.7Y46 A49Y4-Y46 AromaticContact CD1-CD1 3.73Å; Y4-Y46 HydrophobicContact CD1-CD1 3.73Å; Y4-Y46 AromaticContact CD1-CE1 3.44Å; Y4-Y46 HydrophobicContact CD1-CE1 3.44Å; Y4-Y46 VanDerWaalsContact CD1-CE1 3.44Å; Y4-Y46 HydrophobicContact CD2-CD1 4.13Å; Y4-Y46 HydrophobicContact CE1-CD1 4.48Å; Y4-Y46 HydrophobicContact CE1-CE1 4.23Å; Y4-Y46 AromaticContact CG-CD1 3.51Å; Y4-Y46 HydrophobicContact CG-CD1 3.51Å; Y4-Y46 AromaticContact CG-CE1 3.69Å; Y4-Y46 HydrophobicContact CG-CE1 3.69Å; Y4-Y46 HydrophobicContact CG-CG 4.05Å; Y4-A49 HydrophobicContact CD2-CB 3.93Å; Y4-A49 HydrophobicContact CE2-CB 3.53Å
5H82.8Confident80.4Confident153 Ų153100.7 Ų100.771%0.70853%0.53SS*.  trans-111.4150.9177.5-64.877.3000109.3A3A3-H5 PolarHBondContact O-CE1 3.36Å; A3-H5 PolarHBondContact O-ND1 3.45Å
6S86Confident81Confident42 Ų4296.2 Ų96.229%0.29452%0.516SS..  trans-67.1142-179.8-176.50000111.4Y8 V9 I39 E42S6-Y8 PolarHBondContact O-N 3.18Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.47Å; S6-Y8 PolarHBondContact OG-N 3.02Å; S6-V9 WeakPolarHBondContact O-CG2 3.45Å; S6-I39 WeakPolarHBondContact OG-CD1 3.35Å; S6-E42 WeakPolarHBondContact CA-OE2 3.46Å; S6-E42 WeakPolarHBondContact CB-OE2 3.46Å; S6-E42 PolarHBondContact OG-OE2 3.35Å
7K87.2Confident81.7Confident120 Ų12094.2 Ų94.252%0.52251%0.505SS..SBendtrans-70.5-17.3166.569.1-169176.4179.20113V9 E37 E42K7-V9 PolarHBondContact O-N 3.47Å; K7-E37 IonicContact NZ-OE2 3.74Å; K7-E37 PolarHBondContact NZ-OE2 2.83Å; K7-E42 WeakPolarHBondContact CG-OE1 3.4Å; K7-E42 PolarHBondContact N-OE1 2.91Å
8Y83.8Confident82.2Confident63 Ų6390.6 Ų90.625%0.24749%0.485CS..  trans-9061.2-176.4-54.5-70.8000112.8S6 L21 E37 I39 E42S6-Y8 PolarHBondContact O-N 3.18Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.47Å; S6-Y8 PolarHBondContact OG-N 3.02Å; Y8-L21 HydrophobicContact CG-CD1 4.35Å; Y8-E37 PolarHBondContact OH-O 3.21Å; Y8-I39 HydrophobicContact CD2-CB 4.2Å; Y8-I39 HydrophobicContact CD2-CD1 3.84Å; Y8-I39 HydrophobicContact CE2-CB 4.38Å; Y8-I39 HydrophobicContact CE2-CD1 4.48Å; Y8-E42 HydrophobicContact CE2-CB 4.34Å
9V74.1Confident82.8Confident106 Ų10687.2 Ų87.264%0.64247%0.471SS*.  trans-77.6-37.9-175.8-177.80000112.5S6 K7 A11S6-V9 WeakPolarHBondContact O-CG2 3.45Å; K7-V9 PolarHBondContact O-N 3.47Å; V9-A11 PolarHBondContact O-N 2.95Å
10D74.5Confident83.3Confident151 Ų15183.5 Ų83.581%0.80745%0.451SS*.  trans-10472.5-170.7-67.9-38.9000112.5
11A78.9Confident83.9Confident10 Ų1080.2 Ų80.28%0.08343%0.433CS..  trans-79.4129.9171.900000111.3V9 Q13 A19 L21V9-A11 PolarHBondContact O-N 2.95Å; A11-Q13 PolarHBondContact O-N 2.57Å; A11-A19 HydrophobicContact CB-CB 3.49Å; A11-A19 VanDerWaalsContact CB-CB 3.49Å; A11-L21 HydrophobicContact CB-CD2 3.7Å
12P76.4Confident85.5Confident130 Ų13072.7 Ų72.784%0.84440%0.4SS*.SBendtrans-69.1-25.3179.427.8-34.5000112.5
13Q88.8Confident86.5Confident106 Ų10667.1 Ų67.150%0.49536%0.364SS..  trans-117.6138.5179.6-68.4-177.6-15.900110.5A11 L20A11-Q13 PolarHBondContact O-N 2.57Å; Q13-L20 HydrophobicContact CB-CB 3.96Å; Q13-L20 HydrophobicContact CB-CD1 4.37Å; Q13-L20 WeakPolarHBondContact O-CB 3.19Å; Q13-L20 PolarHBondContact O-N 2.91Å
14K91.1Very high87.5Confident128 Ų12870 Ų7056%0.55736%0.362SS*.EExtended strand (participates in β ladder)trans-138.1147.6179.3-62.1179.8-177.8176.30109.6I18K14-I18 CarbonylContact C-O 3.54Å; K14-I18 WeakPolarHBondContact CA-O 3.32Å
15I91.1Very high88.2Confident10 Ų1066 Ų665%0.05135%0.348CS..EExtended strand (participates in β ladder)trans-119.7115.2170.4-47166.6000106.5N17 I18 L20 E101 T104 M105I15-N17 PolarHBondContact O-N 2.9Å; I15-N17 VanDerWaalsContact O-N 3.16Å; I15-I18 PolarHBondContact N-O 2.99Å; I15-I18 PolarHBondContact O-N 2.76Å; I15-L20 HydrophobicContact CD1-CD1 3.93Å; I15-L20 HydrophobicContact CD1-CG 4.25Å; I15-L20 HydrophobicContact CG1-CD1 4.15Å; I15-E101 HydrophobicContact CG2-CB 3.98Å; I15-E101 HydrophobicContact CG2-CG 4.23Å; I15-E101 WeakPolarHBondContact CG2-O 3.2Å; I15-T104 HydrophobicContact CD1-CG2 3.49Å; I15-T104 VanDerWaalsContact CD1-CG2 3.49Å; I15-T104 HydrophobicContact CG1-CG2 4.34Å; I15-M105 HydrophobicContact CB-CE 4.33Å; I15-M105 HydrophobicContact CG2-CB 3.91Å; I15-M105 HydrophobicContact CG2-CE 3.81Å
16G89.7Confident88.8Confident29 Ų2963.7 Ų63.730%0.29936%0.355SS..THydrogen-bonded Turntrans59.5-114.9-162.400000110.8
17N92Very high89.2Confident63 Ų6364.9 Ų64.934%0.33736%0.355SS..THydrogen-bonded Turntrans-116.617.6170.569.5-24.9000113.5I15 V92 F93 K94I15-N17 PolarHBondContact O-N 2.9Å; I15-N17 VanDerWaalsContact O-N 3.16Å; N17-V92 PolarHBondContact ND2-O 3.45Å; N17-F93 VanDerWaalsContact OD1-CA 3.32Å; N17-F93 WeakPolarHBondContact OD1-CA 3.42Å; N17-K94 HydrophobicContact CB-CB 4.33Å; N17-K94 HydrophobicContact CB-CD 4.13Å; N17-K94 HydrophobicContact CB-CG 4.06Å; N17-K94 PolarHBondContact OD1-N 3.14Å
18I91.9Very high89.6Confident28 Ų2870.4 Ų70.414%0.14437%0.373CS..EExtended strand (participates in β ladder)trans-92.6129.1174.1-63.5175.6000108.9K14 I15 P82 F93 M105 Y108K14-I18 CarbonylContact C-O 3.54Å; K14-I18 WeakPolarHBondContact CA-O 3.32Å; I15-I18 PolarHBondContact N-O 2.99Å; I15-I18 PolarHBondContact O-N 2.76Å; I18-P82 HydrophobicContact CD1-CG 3.83Å; I18-F93 HydrophobicContact CD1-CD1 3.89Å; I18-F93 HydrophobicContact CD1-CE1 4.22Å; I18-F93 HydrophobicContact CG1-CD1 3.52Å; I18-F93 HydrophobicContact CG1-CE1 3.78Å; I18-M105 HydrophobicContact CD1-SD 4.45Å; I18-Y108 HydrophobicContact CG2-CE1 4.13Å
19A93.3Very high90.1Very high26 Ų2669 Ų6922%0.21538%0.378CS..EExtended strand (participates in β ladder)trans-67.5128.217300000111.4A11 L21 Y108A11-A19 HydrophobicContact CB-CB 3.49Å; A11-A19 VanDerWaalsContact CB-CB 3.49Å; A19-L21 HydrophobicContact CB-CD1 4.38Å; A19-L21 HydrophobicContact CB-CD2 4.03Å; A19-L21 HydrophobicContact CB-CG 3.89Å; A19-L21 PolarHBondContact O-N 2.78Å; A19-Y108 WeakPolarHBondContact O-CE1 3.29Å; A19-Y108 PolarHBondContact O-OH 3.31Å
20L93Very high91.1Very high13 Ų1366 Ų667%0.06836%0.36CS..  trans-88.888.8172.6-156.7179.2000107.4Q13 I15 P32 Y108Q13-L20 HydrophobicContact CB-CB 3.96Å; Q13-L20 HydrophobicContact CB-CD1 4.37Å; Q13-L20 WeakPolarHBondContact O-CB 3.19Å; Q13-L20 PolarHBondContact O-N 2.91Å; I15-L20 HydrophobicContact CD1-CD1 3.93Å; I15-L20 HydrophobicContact CD1-CG 4.25Å; I15-L20 HydrophobicContact CG1-CD1 4.15Å; L20-P32 HydrophobicContact CD2-CG 4.19Å; L20-Y108 HydrophobicContact CD2-CD2 4.27Å; L20-Y108 HydrophobicContact CD2-CE2 4.09Å; L20-Y108 HydrophobicContact CG-CD2 4.35Å; L20-Y108 HydrophobicContact CG-CE2 4.37Å
21L94.6Very high92.1Very high16 Ų1659.2 Ų59.28%0.08433%0.325CS..  trans-90.1146.5-172.8-65.1175.7000111.1Y8 A11 A19 I39 Y108Y8-L21 HydrophobicContact CG-CD1 4.35Å; A11-L21 HydrophobicContact CB-CD2 3.7Å; A19-L21 HydrophobicContact CB-CD1 4.38Å; A19-L21 HydrophobicContact CB-CD2 4.03Å; A19-L21 HydrophobicContact CB-CG 3.89Å; A19-L21 PolarHBondContact O-N 2.78Å; L21-I39 HydrophobicContact CB-CG2 4.24Å; L21-I39 HydrophobicContact CD1-CB 3.71Å; L21-I39 HydrophobicContact CD1-CD1 4.01Å; L21-I39 HydrophobicContact CD1-CG1 3.75Å; L21-I39 HydrophobicContact CD1-CG2 4.09Å; L21-Y108 PolarHBondContact N-OH 3.16Å
22P94.8Very high92.8Very high51 Ų5161.1 Ų61.133%0.33134%0.337SS..  trans-60.6143.6172-21.332.7000112P32 T34P22-P32 CarbonylContact C-O 3.47Å; P22-P32 WeakPolarHBondContact CA-O 3.21Å; P22-P32 HydrophobicContact CB-CB 4.07Å; P22-P32 HydrophobicContact CG-CB 4.11Å; P22-P32 HydrophobicContact CG-CG 4.49Å; P22-T34 HydrophobicContact CB-CG2 3.85Å
23L96Very high93.6Very high0 Ų063.9 Ų63.90%034%0.335CS..BIsolated β-bridgetrans-128.9140.5178.5-64.4178.1000111.1T25 A31 P32 T34 D38 I39 I40 Y108 Q111 L112L23-T25 HydrophobicContact CB-CG2 3.81Å; L23-T25 PolarHBondContact O-N 3.01Å; L23-A31 HydrophobicContact CB-CB 4.01Å; L23-A31 HydrophobicContact CD1-CB 3.64Å; L23-A31 HydrophobicContact CG-CB 3.77Å; L23-P32 PolarHBondContact N-O 2.67Å; L23-T34 PolarHBondContact O-N 3.33Å; L23-D38 HydrophobicContact CD2-CB 4.4Å; L23-I39 HydrophobicContact CD2-CG2 3.63Å; L23-I40 HydrophobicContact CD1-CD1 4.44Å; L23-I40 HydrophobicContact CD2-CD1 3.85Å; L23-I40 HydrophobicContact CD2-CG1 3.94Å; L23-Y108 HydrophobicContact CD1-CE2 4.33Å; L23-Q111 HydrophobicContact CD1-CG 4.43Å; L23-L112 HydrophobicContact CD1-CD2 3.67Å; L23-L112 HydrophobicContact CD1-CG 4.14Å; L23-L112 HydrophobicContact CD2-CD2 3.88Å; L23-L112 HydrophobicContact CG-CD2 4.36Å
24R96.2Very high93.9Very high122 Ų12260.4 Ų60.446%0.4632%0.322SS..  trans-84.282.7167.3-178176.258.5139.3-3.3109T34 D38 D41 R119R24-T34 WeakPolarHBondContact CA-O 3.4Å; R24-T34 HydrophobicContact CB-CG2 4.48Å; R24-T34 WeakPolarHBondContact CB-O 3.24Å; R24-D38 PolarHBondContact N-OD2 3Å; R24-D41 IonicContact NH2-OD1 3.68Å; R24-D41 IonicContact NH2-OD2 2.8Å; R24-R119 PolarHBondContact O-NH2 2.79Å
25T95.9Very high93.9Very high20 Ų2063.2 Ų63.212%0.12334%0.337CS..  trans-139.8146.3-174-173.70000113L23 F27 Q111 E115L23-T25 HydrophobicContact CB-CG2 3.81Å; L23-T25 PolarHBondContact O-N 3.01Å; T25-F27 VanDerWaalsContact OG1-CD2 3.27Å; T25-F27 WeakPolarHBondContact OG1-CD2 3.38Å; T25-F27 PolarHBondContact OG1-N 2.94Å; T25-Q111 HydrophobicContact CG2-CG 4.12Å; T25-E115 WeakPolarHBondContact CA-OE2 3.39Å; T25-E115 WeakPolarHBondContact CB-OE2 3.43Å; T25-E115 PolarHBondContact OG1-OE2 2.84Å
26A94.6Very high94Very high104 Ų10470 Ų7086%0.8637%0.368SS*.SBendtrans-88.4-12168.700000112.6
27F95.6Very high94.1Very high67 Ų6773.4 Ų73.429%0.29438%0.376SS..SBendtrans-73.7140.3-178.8-62.9-68.8000111.1T25 Q111 Q114 E115 V118T25-F27 VanDerWaalsContact OG1-CD2 3.27Å; T25-F27 WeakPolarHBondContact OG1-CD2 3.38Å; T25-F27 PolarHBondContact OG1-N 2.94Å; F27-Q111 HydrophobicContact CB-CG 4.29Å; F27-Q111 PolarHBondContact O-NE2 3.11Å; F27-Q114 HydrophobicContact CB-CB 4.32Å; F27-Q114 HydrophobicContact CD1-CB 3.92Å; F27-Q114 HydrophobicContact CD1-CG 4.31Å; F27-Q114 HydrophobicContact CD2-CB 3.56Å; F27-Q114 HydrophobicContact CE1-CB 4.09Å; F27-Q114 HydrophobicContact CE2-CB 3.77Å; F27-Q114 HydrophobicContact CG-CB 3.66Å; F27-Q114 HydrophobicContact CG-CG 4.42Å; F27-Q114 HydrophobicContact CZ-CB 4.03Å; F27-E115 HydrophobicContact CD2-CB 4.17Å; F27-E115 WeakPolarHBondContact CD2-OE2 3.07Å; F27-V118 HydrophobicContact CE2-CG2 3.9Å; F27-V118 HydrophobicContact CZ-CG2 3.77Å
28R95Very high94.2Very high236 Ų23670.5 Ų70.589%0.89136%0.361SS*.  trans-68.2140.1174.8-65.2-175.4-177.7-168.50.8110.2
29G94.5Very high94.4Very high34 Ų3470.5 Ų70.535%0.35136%0.361SS..SBendtrans165-179.1174.900000111.2A31 Q111G29-A31 VanDerWaalsContact C-N 3.34Å; G29-A31 PolarHBondContact O-N 3.15Å; G29-Q111 VanDerWaalsContact CA-CD 3.43Å; G29-Q111 VanDerWaalsContact CA-OE1 3.25Å
30P95.8Very high94.4Very high41 Ų4169.5 Ų69.527%0.26635%0.352SS..SBendtrans-81.1-8.1-171.333.7-38.7000114.2T104 S107 Y108P30-T104 HydrophobicContact CB-CG2 3.82Å; P30-T104 HydrophobicContact CG-CG2 4.02Å; P30-S107 WeakPolarHBondContact CD-OG 3.44Å; P30-Y108 HydrophobicContact CG-CD2 4.24Å; P30-Y108 HydrophobicContact CG-CG 4.33Å
31A95.1Very high94.4Very high9 Ų970.5 Ų70.57%0.07436%0.357CS..SBendtrans-61130.5178.600000111.4L23 G29 Y108L23-A31 HydrophobicContact CB-CB 4.01Å; L23-A31 HydrophobicContact CD1-CB 3.64Å; L23-A31 HydrophobicContact CG-CB 3.77Å; G29-A31 VanDerWaalsContact C-N 3.34Å; G29-A31 PolarHBondContact O-N 3.15Å; A31-Y108 HydrophobicContact CB-CD2 4.04Å; A31-Y108 HydrophobicContact CB-CE2 3.82Å
32P94Very high94.3Very high50 Ų5070 Ų7033%0.32536%0.355SS..PPolyproline II helixtrans-53.9148.2166-24.630.7000110.5L20 P22 L23L20-P32 HydrophobicContact CD2-CG 4.19Å; P22-P32 CarbonylContact C-O 3.47Å; P22-P32 WeakPolarHBondContact CA-O 3.21Å; P22-P32 HydrophobicContact CB-CB 4.07Å; P22-P32 HydrophobicContact CG-CB 4.11Å; P22-P32 HydrophobicContact CG-CG 4.49Å; L23-P32 PolarHBondContact N-O 2.67Å
33K93.4Very high94.1Very high188 Ų18870.4 Ų70.482%0.81736%0.358SS*.BIsolated β-bridgetrans-81.9142.8175.7-66.6-173.6175.7-174.90110.2
34T93.7Very high93.8Very high34 Ų3471 Ų7121%0.20936%0.362CS..  trans-138.6154.7166.5-172.10000109.9P22 L23 R24 E36 D38P22-T34 HydrophobicContact CB-CG2 3.85Å; L23-T34 PolarHBondContact O-N 3.33Å; R24-T34 WeakPolarHBondContact CA-O 3.4Å; R24-T34 HydrophobicContact CB-CG2 4.48Å; R24-T34 WeakPolarHBondContact CB-O 3.24Å; T34-E36 PolarHBondContact OG1-N 3.31Å; T34-E36 VanDerWaalsContact OG1-N 3.15Å; T34-D38 HydrophobicContact CG2-CB 4.21Å
35E92.9Very high93.3Very high187 Ų18772.4 Ų72.487%0.87437%0.371SS*.SBendtrans-100.8-10.4169.3-62.6-173.3171.900112
36E92.2Very high92.7Very high151 Ų15174 Ų7471%0.70638%0.375SS*.SBendtrans-79.7174.9179.8-59.4-177.1177.700112.1T34T34-E36 PolarHBondContact OG1-N 3.31Å; T34-E36 VanDerWaalsContact OG1-N 3.15Å
37E92.7Very high92Very high102 Ų10273 Ų7348%0.47735%0.352SS..  trans-56.2140.9167.2-170.9-176.9-159.200109.7K7 Y8 D41K7-E37 IonicContact NZ-OE2 3.74Å; K7-E37 PolarHBondContact NZ-OE2 2.83Å; Y8-E37 PolarHBondContact OH-O 3.21Å; E37-D41 HydrophobicContact CG-CB 3.57Å
38D94Very high90.8Very high2 Ų273 Ų731%0.01135%0.351CS..  trans-124.8-175.5-177.366.927.3000112.9L23 R24 T34 I40 D41 E42 R119L23-D38 HydrophobicContact CD2-CB 4.4Å; R24-D38 PolarHBondContact N-OD2 3Å; T34-D38 HydrophobicContact CG2-CB 4.21Å; D38-I40 PolarHBondContact O-N 2.96Å; D38-I40 WeakPolarHBondContact OD1-CA 3.46Å; D38-I40 WeakPolarHBondContact OD1-CB 3.5Å; D38-I40 PolarHBondContact OD1-N 3.16Å; D38-D41 PolarHBondContact N-OD2 3.3Å; D38-D41 PolarHBondContact O-N 3.29Å; D38-D41 PolarHBondContact OD1-N 3.5Å; D38-D41 VanDerWaalsContact OD1-N 3.16Å; D38-E42 PolarHBondContact O-N 2.73Å; D38-R119 VanDerWaalsContact CG-NH1 3.33Å; D38-R119 IonicContact OD1-CZ 2.78Å; D38-R119 IonicContact OD1-NH1 3.46Å; D38-R119 PolarHBondContact OD1-NH1 3.29Å; D38-R119 IonicContact OD1-NH2 2.9Å; D38-R119 IonicContact OD2-CZ 3.27Å; D38-R119 IonicContact OD2-NH1 3.28Å; D38-R119 PolarHBondContact OD2-NH1 2.96Å; D38-R119 IonicContact OD2-NH2 3.42Å; D38-R119 PolarHBondContact OD2-NH2 3.42Å
39I94.3Very high89.2Confident27 Ų2763.2 Ų63.214%0.13832%0.322CS..Hα-helixtrans-64.4-25.1-179.3-172.362.4000113S6 Y8 L21 L23 E42 S43 L112S6-I39 WeakPolarHBondContact OG-CD1 3.35Å; Y8-I39 HydrophobicContact CD2-CB 4.2Å; Y8-I39 HydrophobicContact CD2-CD1 3.84Å; Y8-I39 HydrophobicContact CE2-CB 4.38Å; Y8-I39 HydrophobicContact CE2-CD1 4.48Å; L21-I39 HydrophobicContact CB-CG2 4.24Å; L21-I39 HydrophobicContact CD1-CB 3.71Å; L21-I39 HydrophobicContact CD1-CD1 4.01Å; L21-I39 HydrophobicContact CD1-CG1 3.75Å; L21-I39 HydrophobicContact CD1-CG2 4.09Å; L23-I39 HydrophobicContact CD2-CG2 3.63Å; I39-E42 WeakPolarHBondContact CD1-OE2 3.35Å; I39-S43 WeakPolarHBondContact O-CB 3.5Å; I39-S43 PolarHBondContact O-N 3.49Å; I39-S43 PolarHBondContact O-OG 2.78Å; I39-L112 HydrophobicContact CG2-CD2 4.32Å
40I94.4Very high87.5Confident5 Ų564.4 Ų64.43%0.02632%0.32CS..Hα-helixtrans-74.2-40.8179.2-63.5175.5000109.6L23 D38 S43 L44 L112 E115 L116L23-I40 HydrophobicContact CD1-CD1 4.44Å; L23-I40 HydrophobicContact CD2-CD1 3.85Å; L23-I40 HydrophobicContact CD2-CG1 3.94Å; D38-I40 PolarHBondContact O-N 2.96Å; D38-I40 WeakPolarHBondContact OD1-CA 3.46Å; D38-I40 WeakPolarHBondContact OD1-CB 3.5Å; D38-I40 PolarHBondContact OD1-N 3.16Å; I40-S43 PolarHBondContact O-N 3.22Å; I40-L44 HydrophobicContact CG2-CD1 4.07Å; I40-L44 HydrophobicContact CG2-CG 4.44Å; I40-L44 WeakPolarHBondContact O-CB 3.19Å; I40-L44 WeakPolarHBondContact O-CG 3.25Å; I40-L44 PolarHBondContact O-N 3.02Å; I40-L112 HydrophobicContact CD1-CD2 4.19Å; I40-L112 HydrophobicContact CG1-CD2 4.14Å; I40-E115 HydrophobicContact CD1-CB 3.52Å; I40-E115 HydrophobicContact CD1-CG 3.44Å; I40-E115 VanDerWaalsContact CD1-CG 3.44Å; I40-L116 HydrophobicContact CG2-CB 4.35Å; I40-L116 HydrophobicContact CG2-CD1 3.95Å
41D93.1Very high86Confident34 Ų3463.1 Ų63.118%0.18231%0.31CS..Hα-helixtrans-60.3-47.5174.4-64.4-42.2000110.8R24 E37 D38 S43 L44 F45 R119R24-D41 IonicContact NH2-OD1 3.68Å; R24-D41 IonicContact NH2-OD2 2.8Å; E37-D41 HydrophobicContact CG-CB 3.57Å; D38-D41 PolarHBondContact N-OD2 3.3Å; D38-D41 PolarHBondContact O-N 3.29Å; D38-D41 PolarHBondContact OD1-N 3.5Å; D38-D41 VanDerWaalsContact OD1-N 3.16Å; D41-S43 PolarHBondContact O-N 3.24Å; D41-L44 PolarHBondContact O-N 2.96Å; D41-F45 WeakPolarHBondContact O-CB 3.4Å; D41-F45 PolarHBondContact O-N 3.47Å; D41-R119 IonicContact OD1-CZ 2.91Å; D41-R119 IonicContact OD1-NH1 3.84Å; D41-R119 PolarHBondContact OD1-NH1 2.99Å; D41-R119 IonicContact OD2-NH1 3.55Å; D41-R119 PolarHBondContact OD2-NH1 3.48Å
42E91.4Very high83.5Confident7 Ų768.8 Ų68.83%0.03333%0.334CS..Hα-helixtrans-62.3-43.5176.1-174.4178.7-123.900112.1S6 K7 Y8 D38 I39 L44 F45 Y46S6-E42 WeakPolarHBondContact CA-OE2 3.46Å; S6-E42 WeakPolarHBondContact CB-OE2 3.46Å; S6-E42 PolarHBondContact OG-OE2 3.35Å; K7-E42 WeakPolarHBondContact CG-OE1 3.4Å; K7-E42 PolarHBondContact N-OE1 2.91Å; Y8-E42 HydrophobicContact CE2-CB 4.34Å; D38-E42 PolarHBondContact O-N 2.73Å; I39-E42 WeakPolarHBondContact CD1-OE2 3.35Å; E42-L44 PolarHBondContact O-N 2.82Å; E42-F45 WeakPolarHBondContact O-CB 3.42Å; E42-F45 PolarHBondContact O-N 3.1Å; E42-Y46 HydrophobicContact CG-CD2 3.65Å; E42-Y46 HydrophobicContact CG-CE2 3.24Å; E42-Y46 WeakPolarHBondContact O-CD2 3.36Å; E42-Y46 PolarHBondContact O-N 3.36Å
43S90.6Very high80.8Confident59 Ų5975.4 Ų75.441%0.41336%0.358SS..Hα-helixtrans-62-44.4178.2-650000111.7I39 I40 D41 F45 Y46 F47I39-S43 WeakPolarHBondContact O-CB 3.5Å; I39-S43 PolarHBondContact O-N 3.49Å; I39-S43 PolarHBondContact O-OG 2.78Å; I40-S43 PolarHBondContact O-N 3.22Å; D41-S43 PolarHBondContact O-N 3.24Å; S43-F45 VanDerWaalsContact C-N 3.32Å; S43-Y46 PolarHBondContact O-N 2.89Å; S43-F47 VanDerWaalsContact O-CB 3.29Å; S43-F47 WeakPolarHBondContact O-CB 3.15Å; S43-F47 PolarHBondContact O-N 3.05Å
44L89.6Confident78.3Confident13 Ų1377.2 Ų77.27%0.06836%0.359CS..Hα-helixtrans-66.7-34.2176.9-74.5173.4000112I40 D41 E42 L116 R119 L120 W136I40-L44 HydrophobicContact CG2-CD1 4.07Å; I40-L44 HydrophobicContact CG2-CG 4.44Å; I40-L44 WeakPolarHBondContact O-CB 3.19Å; I40-L44 WeakPolarHBondContact O-CG 3.25Å; I40-L44 PolarHBondContact O-N 3.02Å; D41-L44 PolarHBondContact O-N 2.96Å; E42-L44 PolarHBondContact O-N 2.82Å; L44-L116 HydrophobicContact CD1-CD1 4.39Å; L44-L116 HydrophobicContact CD2-CD1 3.71Å; L44-L116 HydrophobicContact CG-CD1 3.93Å; L44-R119 HydrophobicContact CD1-CB 3.71Å; L44-L120 HydrophobicContact CD2-CB 4.36Å; L44-L120 HydrophobicContact CD2-CD1 3.84Å; L44-W136 HydrophobicContact CD2-CH2 4.39Å; L44-W136 HydrophobicContact CD2-CZ3 4.48Å
45F86.6Confident75.5Confident151 Ų15179.5 Ų79.566%0.66238%0.377SS*.Hα-helixtrans-65.7-47.9175.2-176.9-102.7000111.6D41 E42 S43D41-F45 WeakPolarHBondContact O-CB 3.4Å; D41-F45 PolarHBondContact O-N 3.47Å; E42-F45 WeakPolarHBondContact O-CB 3.42Å; E42-F45 PolarHBondContact O-N 3.1Å; S43-F45 VanDerWaalsContact C-N 3.32Å
46Y83.3Confident72.9Confident52 Ų5274 Ų7420%0.20435%0.349CS..Hα-helixtrans-78.1-17.9179-62.8-35.1000114.3Y4 E42 S43 K48 A49 N50Y4-Y46 AromaticContact CD1-CD1 3.73Å; Y4-Y46 HydrophobicContact CD1-CD1 3.73Å; Y4-Y46 AromaticContact CD1-CE1 3.44Å; Y4-Y46 HydrophobicContact CD1-CE1 3.44Å; Y4-Y46 VanDerWaalsContact CD1-CE1 3.44Å; Y4-Y46 HydrophobicContact CD2-CD1 4.13Å; Y4-Y46 HydrophobicContact CE1-CD1 4.48Å; Y4-Y46 HydrophobicContact CE1-CE1 4.23Å; Y4-Y46 AromaticContact CG-CD1 3.51Å; Y4-Y46 HydrophobicContact CG-CD1 3.51Å; Y4-Y46 AromaticContact CG-CE1 3.69Å; Y4-Y46 HydrophobicContact CG-CE1 3.69Å; Y4-Y46 HydrophobicContact CG-CG 4.05Å; E42-Y46 HydrophobicContact CG-CD2 3.65Å; E42-Y46 HydrophobicContact CG-CE2 3.24Å; E42-Y46 WeakPolarHBondContact O-CD2 3.36Å; E42-Y46 PolarHBondContact O-N 3.36Å; S43-Y46 PolarHBondContact O-N 2.89Å; Y46-K48 PolarHBondContact O-N 2.85Å; Y46-A49 WeakPolarHBondContact O-CA 3.37Å; Y46-A49 WeakPolarHBondContact O-CB 3.42Å; Y46-A49 PolarHBondContact O-N 3.19Å; Y46-N50 PolarHBondContact O-N 3.32Å
47F80.9Confident70.7Confident85 Ų8573.4 Ų73.437%0.37335%0.346SS..Hα-helixtrans-53.9-48.7-177.8-176.6-95.7000112.4S43 A49 N50 I51 W136 F139S43-F47 VanDerWaalsContact O-CB 3.29Å; S43-F47 WeakPolarHBondContact O-CB 3.15Å; S43-F47 PolarHBondContact O-N 3.05Å; F47-A49 VanDerWaalsContact C-N 3.3Å; F47-A49 PolarHBondContact O-N 3.48Å; F47-N50 PolarHBondContact O-N 2.83Å; F47-I51 HydrophobicContact CD1-CD1 3.88Å; F47-I51 HydrophobicContact CD2-CD1 3.27Å; F47-I51 HydrophobicContact CE1-CD1 3.67Å; F47-I51 HydrophobicContact CE2-CD1 3.03Å; F47-I51 HydrophobicContact CG-CD1 3.7Å; F47-I51 HydrophobicContact CZ-CD1 3.24Å; F47-I51 WeakPolarHBondContact O-CB 3.35Å; F47-I51 WeakPolarHBondContact O-CD1 3.18Å; F47-I51 VanDerWaalsContact O-CG1 3.25Å; F47-I51 WeakPolarHBondContact O-CG1 3.47Å; F47-I51 PolarHBondContact O-N 3.31Å; F47-W136 HydrophobicContact CD1-CE3 4.37Å; F47-W136 AromaticContact CD1-CZ3 3.88Å; F47-W136 HydrophobicContact CD1-CZ3 3.88Å; F47-W136 HydrophobicContact CE1-CZ3 4.41Å; F47-F139 HydrophobicContact CE1-CB 4.32Å
48K70.2Confident69.1Low65 Ų6570.8 Ų70.828%0.28334%0.337SS..Hα-helixtrans-63.4-38.9177.9-70.4-169.8176.9-177.10111.9Y46 I51 F52 W136 F139Y46-K48 PolarHBondContact O-N 2.85Å; K48-I51 PolarHBondContact O-N 2.83Å; K48-F52 VanDerWaalsContact O-CD2 3.29Å; K48-F52 WeakPolarHBondContact O-CD2 3.37Å; K48-F52 VanDerWaalsContact O-CE2 3.3Å; K48-F52 WeakPolarHBondContact O-CE2 3.49Å; K48-W136 HydrophobicContact CD-CZ2 4.46Å; K48-W136 VanDerWaalsContact CE-CD2 3.47Å; K48-W136 HydrophobicContact CG-CH2 4.48Å; K48-W136 VanDerWaalsContact NZ-NE1 3.19Å; K48-F139 HydrophobicContact CD-CE2 4.45Å; K48-F139 HydrophobicContact CG-CE2 4.03Å
49A60Low67.7Low32 Ų3277.8 Ų77.826%0.26437%0.367SS..Hα-helixtrans-67.4-40.1-178.800000112.6Y4 Y46 F47 I51 F52Y4-A49 HydrophobicContact CD2-CB 3.93Å; Y4-A49 HydrophobicContact CE2-CB 3.53Å; Y46-A49 WeakPolarHBondContact O-CA 3.37Å; Y46-A49 WeakPolarHBondContact O-CB 3.42Å; Y46-A49 PolarHBondContact O-N 3.19Å; F47-A49 VanDerWaalsContact C-N 3.3Å; F47-A49 PolarHBondContact O-N 3.48Å; A49-I51 VanDerWaalsContact C-N 3.33Å; A49-I51 PolarHBondContact O-N 3.05Å; A49-F52 VanDerWaalsContact O-CD2 3.25Å; A49-F52 WeakPolarHBondContact O-CD2 3.47Å
50N59.8Low66.5Low59 Ų5977.7 Ų77.732%0.31637%0.368SS..Hα-helixtrans-81.3-10.9-177.9-70.9-27.2000113.5Y46 F47 F144Y46-N50 PolarHBondContact O-N 3.32Å; F47-N50 PolarHBondContact O-N 2.83Å; N50-F144 HydrophobicContact CB-CD2 4.45Å; N50-F144 HydrophobicContact CB-CE2 4.39Å
51I63.2Low65.8Low13 Ų1381.9 Ų81.97%0.06740%0.396CS..THydrogen-bonded Turntrans-118.926.5-171.5-56.2171000111.7F47 K48 A49 F139 R142F47-I51 HydrophobicContact CD1-CD1 3.88Å; F47-I51 HydrophobicContact CD2-CD1 3.27Å; F47-I51 HydrophobicContact CE1-CD1 3.67Å; F47-I51 HydrophobicContact CE2-CD1 3.03Å; F47-I51 HydrophobicContact CG-CD1 3.7Å; F47-I51 HydrophobicContact CZ-CD1 3.24Å; F47-I51 WeakPolarHBondContact O-CB 3.35Å; F47-I51 WeakPolarHBondContact O-CD1 3.18Å; F47-I51 VanDerWaalsContact O-CG1 3.25Å; F47-I51 WeakPolarHBondContact O-CG1 3.47Å; F47-I51 PolarHBondContact O-N 3.31Å; K48-I51 PolarHBondContact O-N 2.83Å; A49-I51 VanDerWaalsContact C-N 3.33Å; A49-I51 PolarHBondContact O-N 3.05Å; I51-F139 HydrophobicContact CB-CD1 4.22Å; I51-F139 HydrophobicContact CG2-CB 3.94Å; I51-F139 HydrophobicContact CG2-CD1 3.77Å; I51-F139 HydrophobicContact CG2-CG 4.17Å; I51-F139 WeakPolarHBondContact O-CD1 3.35Å; I51-F139 WeakPolarHBondContact O-CE1 3.42Å; I51-R142 HydrophobicContact CG2-CB 3.54Å; I51-R142 HydrophobicContact CG2-CG 4.28Å; I51-R142 PolarHBondContact O-NH1 2.71Å; I51-R142 PolarHBondContact O-NH2 3.2Å
52F44.3Very low65.6Low128 Ų12881.4 Ų81.456%0.56140%0.396SS*.  trans-65.7148.8174.3-78.4-66.7000113.5K48 A49 F139 R142K48-F52 VanDerWaalsContact O-CD2 3.29Å; K48-F52 WeakPolarHBondContact O-CD2 3.37Å; K48-F52 VanDerWaalsContact O-CE2 3.3Å; K48-F52 WeakPolarHBondContact O-CE2 3.49Å; A49-F52 VanDerWaalsContact O-CD2 3.25Å; A49-F52 WeakPolarHBondContact O-CD2 3.47Å; F52-F139 HydrophobicContact CD1-CE1 4.43Å; F52-F139 HydrophobicContact CE1-CZ 4.45Å; F52-R142 VanDerWaalsContact C-CZ 3.43Å; F52-R142 PolarHBondContact O-NH1 2.8Å
53F35.6Very low65.5Low189 Ų18984.4 Ų84.483%0.82941%0.408SS*.SBendtrans10568.4-169.3-51.6-61.2000126.5R142F53-R142 PolarHBondContact O-NE 3.16Å; F53-R142 PolarHBondContact O-NH1 2.9Å; F53-R142 PolarHBondContact O-NH2 3.36Å
54R42.1Very low65.5Low226 Ų22684.9 Ų84.985%0.85342%0.416SS*.  trans58.7158.7162.7-77.9-176177.7-168-0.4125.2R142R54-R142 WeakPolarHBondContact O-CD 3.03Å; R54-R142 PolarHBondContact O-NE 3.2Å
55S34.5Very low65.4Low83 Ų8386.7 Ų86.758%0.5843%0.427SS*.  trans-85.7157.2-134.849.20000121.7C138S55-C138 VanDerWaalsContact CA-O 3.24Å; S55-C138 WeakPolarHBondContact CA-O 3.46Å
56Y38.1Very low65.4Low70 Ų7079.6 Ų79.628%0.27540%0.397SS..  trans-151170.9154.3-166-138.5000114.3T137 A140 K141Y56-T137 CarbonylContact O-C 3.4Å; Y56-A140 HydrophobicContact CD1-CB 4.3Å; Y56-K141 VanDerWaalsContact CB-CD 3.47Å; Y56-K141 HydrophobicContact CD1-CB 4.47Å; Y56-K141 HydrophobicContact CD1-CD 4.07Å; Y56-K141 HydrophobicContact CD1-CG 3.59Å; Y56-K141 HydrophobicContact CD2-CD 3.55Å; Y56-K141 HydrophobicContact CD2-CG 4.05Å; Y56-K141 HydrophobicContact CE1-CG 4.33Å; Y56-K141 HydrophobicContact CE2-CD 4.24Å; Y56-K141 HydrophobicContact CG-CB 4.18Å; Y56-K141 HydrophobicContact CG-CD 3.4Å; Y56-K141 VanDerWaalsContact CG-CD 3.4Å; Y56-K141 HydrophobicContact CG-CG 3.37Å
57E46.7Very low65.7Low140 Ų14080 Ų8065%0.65440%0.402SS*.  trans-92.3132.2-167.3-169.5172.7-157.200111.9
58V58Low66.1Low47 Ų4783.5 Ų83.529%0.28542%0.417SS..  trans-94.6132.5172.3160.60000109.3C60 P132 T137 A140V58-C60 HydrophobicContact CG1-CB 4.22Å; V58-P132 HydrophobicContact CB-CB 4.48Å; V58-P132 HydrophobicContact CG1-CB 3.92Å; V58-P132 HydrophobicContact CG1-CG 4.05Å; V58-T137 HydrophobicContact CB-CG2 3.49Å; V58-T137 VanDerWaalsContact CB-CG2 3.49Å; V58-T137 HydrophobicContact CG1-CG2 4.19Å; V58-T137 VanDerWaalsContact CG2-CB 3.4Å; V58-T137 HydrophobicContact CG2-CG2 3.31Å; V58-A140 HydrophobicContact CG2-CB 4.45Å
59K64.5Low66.9Low149 Ų14985.2 Ų85.265%0.64843%0.426SS*.  trans-93.5-7.1-174.6-63.8176.7-179.7167.90114.1P61K59-P61 WeakPolarHBondContact O-CD 3.38Å
60C69.6Low68.1Low24 Ų2486.2 Ų86.216%0.16243%0.426CS..  trans-84.4120.5-178.4-43.60000110.5V58 E69 F125V58-C60 HydrophobicContact CG1-CB 4.22Å; C60-E69 PolarHBondContact SG-OE2 2.97Å; C60-F125 HydrophobicContact CB-CZ 4.03Å
61P80.6Confident69.5Low94 Ų9485.8 Ų85.861%0.6143%0.431SS*.  trans-79.3-18.8-173.731-36.4000114.6K59 V65K59-P61 WeakPolarHBondContact O-CD 3.38Å; P61-V65 HydrophobicContact CG-CB 4.42Å; P61-V65 HydrophobicContact CG-CG2 4.18Å
62S88Confident70.6Confident24 Ų2489.7 Ų89.717%0.16846%0.455CS..SBendtrans-152.3160.8-175.359.50000112.3A64 V65 G66 F125 D130S62-A64 VanDerWaalsContact C-N 3.27Å; S62-A64 PolarHBondContact O-N 3.35Å; S62-V65 PolarHBondContact O-N 2.9Å; S62-V65 WeakPolarHBondContact OG-CG2 3.29Å; S62-V65 PolarHBondContact OG-N 2.67Å; S62-G66 PolarHBondContact O-N 2.93Å; S62-F125 WeakPolarHBondContact O-CE1 3.09Å; S62-F125 VanDerWaalsContact O-CZ 3.31Å; S62-F125 WeakPolarHBondContact O-CZ 3.39Å; S62-D130 WeakPolarHBondContact CB-OD2 3.22Å
63K88.9Confident72.6Confident69 Ų6987.2 Ų87.230%0.345%0.448SS..Hα-helixtrans-59-39.3175.9-175178.7179.8177.90112V65 G66 L67 C121 D122 F125 D130K63-V65 PolarHBondContact O-N 3.38Å; K63-G66 PolarHBondContact O-N 3.49Å; K63-L67 HydrophobicContact CG-CD1 4.13Å; K63-L67 HydrophobicContact CG-CG 4.35Å; K63-L67 WeakPolarHBondContact O-CB 3.41Å; K63-L67 WeakPolarHBondContact O-CG 3.34Å; K63-L67 PolarHBondContact O-N 3.17Å; K63-C121 HydrophobicContact CG-CB 4.45Å; K63-D122 WeakPolarHBondContact CE-OD1 3.44Å; K63-D122 IonicContact NZ-OD1 2.63Å; K63-D122 PolarHBondContact NZ-OD1 2.9Å; K63-F125 HydrophobicContact CB-CB 3.81Å; K63-F125 HydrophobicContact CB-CD1 4.11Å; K63-F125 HydrophobicContact CB-CD2 3.94Å; K63-F125 HydrophobicContact CB-CG 3.67Å; K63-F125 HydrophobicContact CD-CB 4.36Å; K63-F125 HydrophobicContact CG-CB 4.14Å; K63-F125 HydrophobicContact CG-CD2 4.05Å; K63-F125 HydrophobicContact CG-CG 4.17Å; K63-D130 WeakPolarHBondContact CB-OD1 3.31Å; K63-D130 PolarHBondContact N-OD1 3.48Å
64A90.5Very high75Confident70 Ų7078.3 Ų78.358%0.57941%0.409SS*.Hα-helixtrans-61.7-42.4179.500000112.3S62 K68S62-A64 VanDerWaalsContact C-N 3.27Å; S62-A64 PolarHBondContact O-N 3.35Å; A64-K68 PolarHBondContact O-N 2.85Å
65V88.9Confident77.2Confident50 Ų5071.8 Ų71.830%0.30339%0.391SS..Hα-helixtrans-68.3-43.8175.3176.30000110.4P61 S62 K63 L67 K68 E69P61-V65 HydrophobicContact CG-CB 4.42Å; P61-V65 HydrophobicContact CG-CG2 4.18Å; S62-V65 PolarHBondContact O-N 2.9Å; S62-V65 WeakPolarHBondContact OG-CG2 3.29Å; S62-V65 PolarHBondContact OG-N 2.67Å; K63-V65 PolarHBondContact O-N 3.38Å; V65-L67 PolarHBondContact O-N 3.39Å; V65-K68 PolarHBondContact O-N 2.83Å; V65-E69 HydrophobicContact CG1-CG 4.41Å; V65-E69 PolarHBondContact O-N 3.49Å
66G86.3Confident79.6Confident2 Ų269.5 Ų69.52%0.02138%0.375CS..Hα-helixtrans-55.3-47.6175.500000112.6S62 K63 K68 E69 M70S62-G66 PolarHBondContact O-N 2.93Å; K63-G66 PolarHBondContact O-N 3.49Å; G66-K68 PolarHBondContact O-N 3.45Å; G66-E69 PolarHBondContact O-N 2.91Å; G66-M70 WeakPolarHBondContact O-CB 3.44Å; G66-M70 WeakPolarHBondContact O-CG 3.29Å; G66-M70 PolarHBondContact O-N 3.41Å
67L89.7Confident81.4Confident60 Ų6075.5 Ų75.531%0.31440%0.402SS..Hα-helixtrans-61.4-41.9177.8-75170.9000112.4K63 V65 M70 A71 V118 C121K63-L67 HydrophobicContact CG-CD1 4.13Å; K63-L67 HydrophobicContact CG-CG 4.35Å; K63-L67 WeakPolarHBondContact O-CB 3.41Å; K63-L67 WeakPolarHBondContact O-CG 3.34Å; K63-L67 PolarHBondContact O-N 3.17Å; V65-L67 PolarHBondContact O-N 3.39Å; L67-M70 PolarHBondContact O-N 3.37Å; L67-A71 VanDerWaalsContact O-CB 3.29Å; L67-A71 WeakPolarHBondContact O-CB 3.49Å; L67-A71 PolarHBondContact O-N 2.87Å; L67-V118 HydrophobicContact CD2-CG2 4.34Å; L67-C121 HydrophobicContact CD2-CB 3.64Å; L67-C121 HydrophobicContact CG-CB 4.05Å
68K88.8Confident83Confident159 Ų15973.5 Ų73.569%0.69140%0.404SS*.Hα-helixtrans-64-44.1177.7-175.7-178.7177.6-177.10111.7A64 V65 G66 T72A64-K68 PolarHBondContact O-N 2.85Å; V65-K68 PolarHBondContact O-N 2.83Å; G66-K68 PolarHBondContact O-N 3.45Å; K68-T72 PolarHBondContact O-N 3.31Å; K68-T72 PolarHBondContact O-OG1 2.97Å
69E85.8Confident84.4Confident101 Ų10172 Ų7247%0.47239%0.394SS..Hα-helixtrans-67.2-43.3177.5-72.3-177.7-173.100111.5C60 V65 G66 A71 T72 L73C60-E69 PolarHBondContact SG-OE2 2.97Å; V65-E69 HydrophobicContact CG1-CG 4.41Å; V65-E69 PolarHBondContact O-N 3.49Å; G66-E69 PolarHBondContact O-N 2.91Å; E69-A71 PolarHBondContact O-N 3.46Å; E69-T72 WeakPolarHBondContact O-CB 3.39Å; E69-T72 PolarHBondContact O-N 2.88Å; E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 PolarHBondContact O-N 3.26Å
70M86.4Confident85.6Confident53 Ų5365.7 Ų65.726%0.26137%0.368SS..Hα-helixtrans-63.1-40.5176.2-71-55.4-7300112.1G66 L67 L73 A74 G117 L120G66-M70 WeakPolarHBondContact O-CB 3.44Å; G66-M70 WeakPolarHBondContact O-CG 3.29Å; G66-M70 PolarHBondContact O-N 3.41Å; L67-M70 PolarHBondContact O-N 3.37Å; M70-L73 PolarHBondContact O-N 2.95Å; M70-A74 VanDerWaalsContact O-CB 3.23Å; M70-A74 WeakPolarHBondContact O-CB 3.49Å; M70-A74 PolarHBondContact O-N 2.91Å; M70-G117 VanDerWaalsContact CE-CA 3.45Å; M70-L120 HydrophobicContact CE-CD2 4.15Å
71A88.6Confident86.8Confident50 Ų5064.7 Ų64.741%0.41336%0.361SS..Hα-helixtrans-62.8-42.9174.300000111.7L67 E69 A74 L75L67-A71 VanDerWaalsContact O-CB 3.29Å; L67-A71 WeakPolarHBondContact O-CB 3.49Å; L67-A71 PolarHBondContact O-N 2.87Å; E69-A71 PolarHBondContact O-N 3.46Å; A71-A74 PolarHBondContact O-N 2.94Å; A71-L75 WeakPolarHBondContact O-CG 3.29Å; A71-L75 PolarHBondContact O-N 3.23Å
72T87.3Confident87.5Confident95 Ų9560.3 Ų60.358%0.58333%0.333SS*.Hα-helixtrans-62-45.6176.7-55.80000111K68 E69 S76K68-T72 PolarHBondContact O-N 3.31Å; K68-T72 PolarHBondContact O-OG1 2.97Å; E69-T72 WeakPolarHBondContact O-CB 3.39Å; E69-T72 PolarHBondContact O-N 2.88Å; T72-S76 PolarHBondContact O-N 3.28Å
73L85.3Confident87.7Confident76 Ų7661.4 Ų61.440%0.39835%0.347SS..Hα-helixtrans-65.3-42.8178.2-17863000112E69 M70 L75 S76E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 PolarHBondContact O-N 3.26Å; M70-L73 PolarHBondContact O-N 2.95Å; L73-L75 VanDerWaalsContact C-N 3.29Å; L73-L75 PolarHBondContact O-N 3.42Å; L73-S76 VanDerWaalsContact O-CB 3.24Å; L73-S76 WeakPolarHBondContact O-CB 3.3Å; L73-S76 PolarHBondContact O-N 3.48Å; L73-S76 VanDerWaalsContact O-N 3.12Å
74A87.6Confident87.9Confident2 Ų260.4 Ų60.42%0.01735%0.346CS..Hα-helixtrans-62.2-37.5-178.500000112.6M70 A71 S76 R113 Q114M70-A74 VanDerWaalsContact O-CB 3.23Å; M70-A74 WeakPolarHBondContact O-CB 3.49Å; M70-A74 PolarHBondContact O-N 2.91Å; A71-A74 PolarHBondContact O-N 2.94Å; A74-S76 VanDerWaalsContact C-N 3.31Å; A74-R113 HydrophobicContact CB-CB 3.7Å; A74-R113 PolarHBondContact O-NE 3.19Å; A74-R113 VanDerWaalsContact O-NE 3.09Å; A74-Q114 HydrophobicContact CB-CB 4.39Å; A74-Q114 HydrophobicContact CB-CG 3.74Å
75L87.9Confident87.9Confident90 Ų9066.7 Ų66.747%0.47136%0.363SS..THydrogen-bonded Turntrans-81-8.1178.3-65.4176.4000113.8A71 L73 K77 Q110A71-L75 WeakPolarHBondContact O-CG 3.29Å; A71-L75 PolarHBondContact O-N 3.23Å; L73-L75 VanDerWaalsContact C-N 3.29Å; L73-L75 PolarHBondContact O-N 3.42Å; L75-K77 PolarHBondContact O-N 2.9Å; L75-Q110 HydrophobicContact CD2-CG 4.37Å
76S83.3Confident87.8Confident35 Ų3566.7 Ų66.725%0.24537%0.373CS..  trans-59.5121.7179.7-174.60000111.5T72 L73 A74 S78T72-S76 PolarHBondContact O-N 3.28Å; L73-S76 VanDerWaalsContact O-CB 3.24Å; L73-S76 WeakPolarHBondContact O-CB 3.3Å; L73-S76 PolarHBondContact O-N 3.48Å; L73-S76 VanDerWaalsContact O-N 3.12Å; A74-S76 VanDerWaalsContact C-N 3.31Å; S76-S78 VanDerWaalsContact C-N 3.26Å; S76-S78 PolarHBondContact O-N 2.78Å; S76-S78 PolarHBondContact OG-N 3.4Å; S76-S78 PolarHBondContact OG-OG 3.03Å
77K76.8Confident88.1Confident196 Ų19667.8 Ų67.885%0.85238%0.377SS*.THydrogen-bonded Turntrans-77.4-10.2175.7-66.4-174.8178.5-177.90113.2L75 L79L75-K77 PolarHBondContact O-N 2.9Å; K77-L79 VanDerWaalsContact C-N 3.28Å; K77-L79 PolarHBondContact O-N 3.49Å
78S80.5Confident88Confident98 Ų9866.8 Ų66.869%0.68538%0.375SS*.THydrogen-bonded Turntrans-80.8-6.8-178.864.50000113.9S76S76-S78 VanDerWaalsContact C-N 3.26Å; S76-S78 PolarHBondContact O-N 2.78Å; S76-S78 PolarHBondContact OG-N 3.4Å; S76-S78 PolarHBondContact OG-OG 3.03Å
79L86.5Confident88.1Confident15 Ų1561.1 Ų61.18%0.07935%0.351CS..SBendtrans-73.1124179.1-72.1172.4000110.5K77 L149 L150K77-L79 VanDerWaalsContact C-N 3.28Å; K77-L79 PolarHBondContact O-N 3.49Å; L79-L149 HydrophobicContact CD2-CB 4.47Å; L79-L150 HydrophobicContact CD2-CD2 3.7Å
80P91.4Very high88.4Confident17 Ų1759.5 Ų59.511%0.1135%0.346CS..  trans-72.3149.1-174.731.3-36.2000111.3D84 G86 F87 L149P80-D84 WeakPolarHBondContact CA-OD2 3.32Å; P80-D84 HydrophobicContact CB-CB 3.8Å; P80-G86 WeakPolarHBondContact CG-O 3.37Å; P80-F87 HydrophobicContact CB-CB 4.06Å; P80-F87 HydrophobicContact CG-CB 4.49Å; P80-L149 WeakPolarHBondContact CD-O 3.45Å
81I93.3Very high88.6Confident3 Ų362.1 Ų62.12%0.01538%0.376CS..  trans-110.5164.917065.6166.7000110.2G83 D84 F87 P96 E102 M105 R106 L109I81-G83 PolarHBondContact O-N 3.32Å; I81-D84 WeakPolarHBondContact CG1-OD2 3.27Å; I81-D84 PolarHBondContact N-OD2 3.42Å; I81-D84 WeakPolarHBondContact O-CB 3.25Å; I81-D84 PolarHBondContact O-N 2.88Å; I81-F87 VanDerWaalsContact O-CB 3.27Å; I81-F87 WeakPolarHBondContact O-CB 3.34Å; I81-P96 HydrophobicContact CD1-CG 4.17Å; I81-E102 HydrophobicContact CD1-CG 3.69Å; I81-M105 HydrophobicContact CB-SD 4.16Å; I81-M105 HydrophobicContact CD1-SD 4.19Å; I81-R106 HydrophobicContact CD1-CG 3.87Å; I81-R106 HydrophobicContact CG2-CG 3.94Å; I81-L109 HydrophobicContact CB-CD1 4.17Å; I81-L109 HydrophobicContact CG2-CD1 3.59Å
82P95.2Very high88.8Confident2 Ų263.9 Ų63.91%0.01338%0.381CS..THydrogen-bonded Turntrans-45.6126.7168.9-29.333.4000112.5I18 F87 F93 K94 P96 M105I18-P82 HydrophobicContact CD1-CG 3.83Å; P82-F87 HydrophobicContact CB-CD1 4.44Å; P82-F87 HydrophobicContact CB-CE1 4.31Å; P82-F87 HydrophobicContact CG-CD1 4.35Å; P82-F87 HydrophobicContact CG-CE1 3.86Å; P82-F87 HydrophobicContact CG-CE2 4.23Å; P82-F87 HydrophobicContact CG-CZ 3.8Å; P82-F93 HydrophobicContact CB-CB 3.78Å; P82-F93 HydrophobicContact CG-CB 3.61Å; P82-F93 HydrophobicContact CG-CG 4.22Å; P82-K94 WeakPolarHBondContact CB-O 3.46Å; P82-P96 WeakPolarHBondContact O-CD 3.39Å; P82-M105 HydrophobicContact CB-SD 4.25Å; P82-M105 HydrophobicContact CG-SD 3.94Å
83G93.2Very high89.1Confident46 Ų4662.3 Ų62.347%0.47437%0.366SS..THydrogen-bonded Turntrans102.1-29.1-17300000114.2I81 N90I81-G83 PolarHBondContact O-N 3.32Å; G83-N90 PolarHBondContact N-OD1 3.23Å
84D93Very high89.6Confident49 Ų4965.2 Ų65.226%0.26238%0.376SS..SBendtrans-70.4142.3175.8-67.6-21.1000110P80 I81 G86 F87 N90 R106P80-D84 WeakPolarHBondContact CA-OD2 3.32Å; P80-D84 HydrophobicContact CB-CB 3.8Å; I81-D84 WeakPolarHBondContact CG1-OD2 3.27Å; I81-D84 PolarHBondContact N-OD2 3.42Å; I81-D84 WeakPolarHBondContact O-CB 3.25Å; I81-D84 PolarHBondContact O-N 2.88Å; D84-G86 PolarHBondContact O-N 2.92Å; D84-G86 VanDerWaalsContact O-N 3.12Å; D84-F87 WeakPolarHBondContact O-CB 3.07Å; D84-F87 PolarHBondContact O-N 2.91Å; D84-N90 PolarHBondContact O-ND2 3.37Å; D84-R106 IonicContact OD1-NH2 3.74Å; D84-R106 PolarHBondContact OD1-NH2 3.48Å; D84-R106 IonicContact OD2-CZ 2.67Å; D84-R106 IonicContact OD2-NH1 3.7Å; D84-R106 PolarHBondContact OD2-NH1 3.32Å; D84-R106 IonicContact OD2-NH2 3.05Å; D84-R106 PolarHBondContact OD2-NH2 3.45Å
85Q90.4Very high89.9Confident201 Ų20167.6 Ų67.694%0.93940%0.395SS*.THydrogen-bonded Turntrans-56.7-32-179.9-172.5-175.89.200112.8F87Q85-F87 VanDerWaalsContact C-N 3.29Å; Q85-F87 PolarHBondContact O-N 2.72Å
86G87.7Confident90.3Very high51 Ų5164.4 Ų64.453%0.52638%0.38SS..THydrogen-bonded Turntrans-78.1-7179.100000114.8P80 D84 P88P80-G86 WeakPolarHBondContact CG-O 3.37Å; D84-G86 PolarHBondContact O-N 2.92Å; D84-G86 VanDerWaalsContact O-N 3.12Å; G86-P88 WeakPolarHBondContact O-CD 3.46Å
87F91.4Very high90.8Very high24 Ų2466.9 Ų66.911%0.10540%0.397CS..  trans-79.8118.7-175.8-171.1-100.9000111.4P80 I81 P82 D84 Q85 M89 N90 F93 L149P80-F87 HydrophobicContact CB-CB 4.06Å; P80-F87 HydrophobicContact CG-CB 4.49Å; I81-F87 VanDerWaalsContact O-CB 3.27Å; I81-F87 WeakPolarHBondContact O-CB 3.34Å; P82-F87 HydrophobicContact CB-CD1 4.44Å; P82-F87 HydrophobicContact CB-CE1 4.31Å; P82-F87 HydrophobicContact CG-CD1 4.35Å; P82-F87 HydrophobicContact CG-CE1 3.86Å; P82-F87 HydrophobicContact CG-CE2 4.23Å; P82-F87 HydrophobicContact CG-CZ 3.8Å; D84-F87 WeakPolarHBondContact O-CB 3.07Å; D84-F87 PolarHBondContact O-N 2.91Å; Q85-F87 VanDerWaalsContact C-N 3.29Å; Q85-F87 PolarHBondContact O-N 2.72Å; F87-M89 HydrophobicContact CD1-CB 4.33Å; F87-M89 HydrophobicContact CE1-CB 3.7Å; F87-M89 HydrophobicContact CZ-CB 4.3Å; F87-M89 PolarHBondContact O-N 2.8Å; F87-M89 VanDerWaalsContact O-N 3.1Å; F87-N90 WeakPolarHBondContact CD1-OD1 3.15Å; F87-N90 PolarHBondContact O-ND2 3.37Å; F87-F93 HydrophobicContact CE1-CB 3.9Å; F87-F93 AromaticContact CE1-CD2 3.57Å; F87-F93 HydrophobicContact CE1-CD2 3.57Å; F87-F93 HydrophobicContact CE1-CE2 4.41Å; F87-F93 HydrophobicContact CE1-CG 4.04Å; F87-F93 HydrophobicContact CZ-CB 4.42Å; F87-F93 AromaticContact CZ-CD2 3.69Å; F87-F93 HydrophobicContact CZ-CD2 3.69Å; F87-F93 HydrophobicContact CZ-CE2 4.16Å; F87-F93 HydrophobicContact CZ-CG 4.19Å; F87-L149 HydrophobicContact CD2-CD2 4.1Å; F87-L149 HydrophobicContact CE2-CD2 3.96Å
88P88.5Confident91.7Very high39 Ų3961.1 Ų61.125%0.25338%0.376SS..THydrogen-bonded Turntrans-72-9.9-167.228.4-37.4000115.1G86 K147 S148 L149G86-P88 WeakPolarHBondContact O-CD 3.46Å; P88-K147 HydrophobicContact CB-CB 3.89Å; P88-K147 HydrophobicContact CB-CD 4.03Å; P88-K147 HydrophobicContact CB-CG 4.12Å; P88-K147 HydrophobicContact CG-CB 4.19Å; P88-S148 WeakPolarHBondContact CG-O 3.4Å; P88-L149 HydrophobicContact CG-CD2 4.19Å
89M89.9Confident92.4Very high40 Ų4065.1 Ų65.120%0.19738%0.376CS..THydrogen-bonded Turntrans-128.233.3-171.4-67.9-178.160.900113.3F87 A91 V92 F93 M145 K147F87-M89 HydrophobicContact CD1-CB 4.33Å; F87-M89 HydrophobicContact CE1-CB 3.7Å; F87-M89 HydrophobicContact CZ-CB 4.3Å; F87-M89 PolarHBondContact O-N 2.8Å; F87-M89 VanDerWaalsContact O-N 3.1Å; M89-A91 PolarHBondContact O-N 3.03Å; M89-A91 VanDerWaalsContact O-N 3.11Å; M89-V92 HydrophobicContact CE-CB 4.09Å; M89-V92 HydrophobicContact CE-CG1 4.16Å; M89-V92 HydrophobicContact CE-CG2 4.21Å; M89-V92 PolarHBondContact O-N 3.11Å; M89-F93 HydrophobicContact CB-CD2 3.72Å; M89-F93 HydrophobicContact CB-CE2 4.03Å; M89-F93 HydrophobicContact CE-CD2 4.11Å; M89-F93 HydrophobicContact CE-CE2 3.48Å; M89-F93 VanDerWaalsContact CE-CE2 3.48Å; M89-F93 HydrophobicContact CE-CZ 4.39Å; M89-F93 PolarHBondContact O-N 2.97Å; M89-F93 HydrophobicContact SD-CE2 3.95Å; M89-M145 HydrophobicContact CE-SD 4.43Å; M89-K147 HydrophobicContact CG-CG 4.49Å
90N91.6Very high92.8Very high68 Ų6869.8 Ų69.836%0.36440%0.401SS..THydrogen-bonded Turntrans-59.9-19.4176.6-80-29.4000114.1G83 D84 F87 V92G83-N90 PolarHBondContact N-OD1 3.23Å; D84-N90 PolarHBondContact O-ND2 3.37Å; F87-N90 WeakPolarHBondContact CD1-OD1 3.15Å; F87-N90 PolarHBondContact O-ND2 3.37Å; N90-V92 VanDerWaalsContact C-N 3.29Å
91A92.4Very high93Very high107 Ų10771.7 Ų71.788%0.88441%0.408SS*.THydrogen-bonded Turntrans-74.2-18.5173.300000113.6M89M89-A91 PolarHBondContact O-N 3.03Å; M89-A91 VanDerWaalsContact O-N 3.11Å
92V92Very high93.1Very high88 Ų8874.9 Ų74.953%0.53342%0.423SS..THydrogen-bonded Turntrans-111.1-37.6-175.2-179.40000111.2N17 M89 N90N17-V92 PolarHBondContact ND2-O 3.45Å; M89-V92 HydrophobicContact CE-CB 4.09Å; M89-V92 HydrophobicContact CE-CG1 4.16Å; M89-V92 HydrophobicContact CE-CG2 4.21Å; M89-V92 PolarHBondContact O-N 3.11Å; N90-V92 VanDerWaalsContact C-N 3.29Å
93F94.4Very high93.1Very high62 Ų6279.6 Ų79.627%0.27245%0.445SS..SBendtrans-99.1137.9-179.1-67.5-81000112N17 I18 P82 F87 M89N17-F93 VanDerWaalsContact OD1-CA 3.32Å; N17-F93 WeakPolarHBondContact OD1-CA 3.42Å; I18-F93 HydrophobicContact CD1-CD1 3.89Å; I18-F93 HydrophobicContact CD1-CE1 4.22Å; I18-F93 HydrophobicContact CG1-CD1 3.52Å; I18-F93 HydrophobicContact CG1-CE1 3.78Å; P82-F93 HydrophobicContact CB-CB 3.78Å; P82-F93 HydrophobicContact CG-CB 3.61Å; P82-F93 HydrophobicContact CG-CG 4.22Å; F87-F93 HydrophobicContact CE1-CB 3.9Å; F87-F93 AromaticContact CE1-CD2 3.57Å; F87-F93 HydrophobicContact CE1-CD2 3.57Å; F87-F93 HydrophobicContact CE1-CE2 4.41Å; F87-F93 HydrophobicContact CE1-CG 4.04Å; F87-F93 HydrophobicContact CZ-CB 4.42Å; F87-F93 AromaticContact CZ-CD2 3.69Å; F87-F93 HydrophobicContact CZ-CD2 3.69Å; F87-F93 HydrophobicContact CZ-CE2 4.16Å; F87-F93 HydrophobicContact CZ-CG 4.19Å; M89-F93 HydrophobicContact CB-CD2 3.72Å; M89-F93 HydrophobicContact CB-CE2 4.03Å; M89-F93 HydrophobicContact CE-CD2 4.11Å; M89-F93 HydrophobicContact CE-CE2 3.48Å; M89-F93 VanDerWaalsContact CE-CE2 3.48Å; M89-F93 HydrophobicContact CE-CZ 4.39Å; M89-F93 PolarHBondContact O-N 2.97Å; M89-F93 HydrophobicContact SD-CE2 3.95Å
94K94.7Very high93.2Very high137 Ų13780 Ų8060%0.59644%0.438SS*.PPolyproline II helixtrans-82.3132.5175.7-65.7-172.4-179.9-177.30109.7N17 P82N17-K94 HydrophobicContact CB-CB 4.33Å; N17-K94 HydrophobicContact CB-CD 4.13Å; N17-K94 HydrophobicContact CB-CG 4.06Å; N17-K94 PolarHBondContact OD1-N 3.14Å; P82-K94 WeakPolarHBondContact CB-O 3.46Å
95A94.8Very high93.3Very high51 Ų5177.7 Ų77.742%0.42143%0.426SS..PPolyproline II helixtrans-59.5151169.100000110.9
96P95.2Very high93.5Very high24 Ų2471.7 Ų71.716%0.15640%0.395CS..PPolyproline II helixtrans-58.1139.7170.325.1-32.4000110.3I81 P82 N98 E101 E102 M105I81-P96 HydrophobicContact CD1-CG 4.17Å; P82-P96 WeakPolarHBondContact O-CD 3.39Å; P96-N98 VanDerWaalsContact C-N 3.32Å; P96-N98 PolarHBondContact O-N 3.12Å; P96-E101 HydrophobicContact CB-CB 3.71Å; P96-E102 HydrophobicContact CB-CB 3.98Å; P96-E102 HydrophobicContact CG-CB 3.73Å; P96-E102 HydrophobicContact CG-CG 3.88Å; P96-M105 HydrophobicContact CB-CE 4.21Å; P96-M105 HydrophobicContact CG-CE 4.49Å
97S94.8Very high93.8Very high86 Ų8671.2 Ų71.260%0.60138%0.383SS*.SBendtrans-76.5-21.6-173.870.80000113.5E101S97-E101 PolarHBondContact N-OE2 3.34Å; S97-E101 PolarHBondContact OG-OE1 3.31Å; S97-E101 PolarHBondContact OG-OE2 2.88Å
98N96Very high94Very high75 Ų7570.4 Ų70.440%0.40138%0.38SS..SBendtrans-156.8172.2-175.861.871.3000110.7P96 N100 E101 E102P96-N98 VanDerWaalsContact C-N 3.32Å; P96-N98 PolarHBondContact O-N 3.12Å; N98-N100 VanDerWaalsContact C-N 3.31Å; N98-N100 PolarHBondContact O-N 2.71Å; N98-N100 WeakPolarHBondContact OD1-CA 3.4Å; N98-N100 WeakPolarHBondContact OD1-CB 3.49Å; N98-N100 PolarHBondContact OD1-N 2.68Å; N98-E101 PolarHBondContact O-N 3.27Å; N98-E101 PolarHBondContact OD1-N 2.79Å; N98-E102 PolarHBondContact O-N 3.12Å
99R94.7Very high94.3Very high182 Ų18270.1 Ų70.169%0.68738%0.376SS*.Hα-helixtrans-58-37.5-178.2-177.1176.8172168.71.2113.7E102 E103R99-E102 WeakPolarHBondContact O-CB 3.49Å; R99-E102 PolarHBondContact O-N 3.48Å; R99-E103 IonicContact CZ-OE1 2.79Å; R99-E103 IonicContact NE-OE1 3.32Å; R99-E103 PolarHBondContact NE-OE1 3.44Å; R99-E103 IonicContact NH2-OE1 3.27Å; R99-E103 WeakPolarHBondContact O-CG 3.38Å; R99-E103 PolarHBondContact O-N 3.05Å
100N95Very high94.5Very high113 Ų11370.9 Ų70.960%0.60438%0.379SS*.Hα-helixtrans-69.2-41.7-179.5-65.1-4.2000111N98 E102 E103 T104N98-N100 VanDerWaalsContact C-N 3.31Å; N98-N100 PolarHBondContact O-N 2.71Å; N98-N100 WeakPolarHBondContact OD1-CA 3.4Å; N98-N100 WeakPolarHBondContact OD1-CB 3.49Å; N98-N100 PolarHBondContact OD1-N 2.68Å; N100-E102 VanDerWaalsContact C-N 3.3Å; N100-E102 PolarHBondContact O-N 3.33Å; N100-E103 PolarHBondContact O-N 2.92Å; N100-T104 WeakPolarHBondContact O-CB 3.27Å; N100-T104 PolarHBondContact O-N 3.06Å; N100-T104 PolarHBondContact O-OG1 3.03Å
101E95.3Very high94.7Very high58 Ų5867.9 Ų67.927%0.27136%0.362SS..Hα-helixtrans-63.6-37.4172.4-79.6-173.9-154.400111.8I15 P96 S97 N98 T104 M105I15-E101 HydrophobicContact CG2-CB 3.98Å; I15-E101 HydrophobicContact CG2-CG 4.23Å; I15-E101 WeakPolarHBondContact CG2-O 3.2Å; P96-E101 HydrophobicContact CB-CB 3.71Å; S97-E101 PolarHBondContact N-OE2 3.34Å; S97-E101 PolarHBondContact OG-OE1 3.31Å; S97-E101 PolarHBondContact OG-OE2 2.88Å; N98-E101 PolarHBondContact O-N 3.27Å; N98-E101 PolarHBondContact OD1-N 2.79Å; E101-T104 PolarHBondContact O-N 2.59Å; E101-M105 VanDerWaalsContact O-CB 3.24Å; E101-M105 WeakPolarHBondContact O-CB 3.47Å; E101-M105 PolarHBondContact O-N 3.06Å
102E95.3Very high94.9Very high69 Ų6964.5 Ų64.532%0.32233%0.329SS..Hα-helixtrans-62.1-50.6176.5-168.4-169.9157.500111.2I81 P96 N98 R99 N100 T104 M105 R106I81-E102 HydrophobicContact CD1-CG 3.69Å; P96-E102 HydrophobicContact CB-CB 3.98Å; P96-E102 HydrophobicContact CG-CB 3.73Å; P96-E102 HydrophobicContact CG-CG 3.88Å; N98-E102 PolarHBondContact O-N 3.12Å; R99-E102 WeakPolarHBondContact O-CB 3.49Å; R99-E102 PolarHBondContact O-N 3.48Å; N100-E102 VanDerWaalsContact C-N 3.3Å; N100-E102 PolarHBondContact O-N 3.33Å; E102-T104 VanDerWaalsContact C-N 3.31Å; E102-T104 PolarHBondContact O-N 3.33Å; E102-M105 PolarHBondContact O-N 2.88Å; E102-R106 WeakPolarHBondContact O-CB 3.11Å; E102-R106 WeakPolarHBondContact O-CG 3.15Å; E102-R106 PolarHBondContact O-N 3.3Å; E102-R106 IonicContact OE1-CZ 3.53Å; E102-R106 VanDerWaalsContact OE1-CZ 3.27Å; E102-R106 IonicContact OE1-NE 2.83Å; E102-R106 PolarHBondContact OE1-NE 3.09Å; E102-R106 IonicContact OE1-NH2 3.85Å; E102-R106 PolarHBondContact OE1-NH2 3.13Å
103E94.6Very high95Very high102 Ų10263 Ų6348%0.47731%0.314SS..Hα-helixtrans-59.9-42.5177.6-72176.5-168.400111.2R99 N100 R106 S107R99-E103 IonicContact CZ-OE1 2.79Å; R99-E103 IonicContact NE-OE1 3.32Å; R99-E103 PolarHBondContact NE-OE1 3.44Å; R99-E103 IonicContact NH2-OE1 3.27Å; R99-E103 WeakPolarHBondContact O-CG 3.38Å; R99-E103 PolarHBondContact O-N 3.05Å; N100-E103 PolarHBondContact O-N 2.92Å; E103-R106 PolarHBondContact O-N 2.95Å; E103-S107 WeakPolarHBondContact O-CB 3.38Å; E103-S107 PolarHBondContact O-N 2.97Å
104T95.1Very high94.9Very high53 Ų5361.6 Ų61.633%0.32531%0.309SS..Hα-helixtrans-65.2-44.5176.7-51.20000111.4I15 P30 N100 E101 E102 S107 Y108I15-T104 HydrophobicContact CD1-CG2 3.49Å; I15-T104 VanDerWaalsContact CD1-CG2 3.49Å; I15-T104 HydrophobicContact CG1-CG2 4.34Å; P30-T104 HydrophobicContact CB-CG2 3.82Å; P30-T104 HydrophobicContact CG-CG2 4.02Å; N100-T104 WeakPolarHBondContact O-CB 3.27Å; N100-T104 PolarHBondContact O-N 3.06Å; N100-T104 PolarHBondContact O-OG1 3.03Å; E101-T104 PolarHBondContact O-N 2.59Å; E102-T104 VanDerWaalsContact C-N 3.31Å; E102-T104 PolarHBondContact O-N 3.33Å; T104-S107 PolarHBondContact O-N 2.74Å; T104-Y108 WeakPolarHBondContact O-CB 3.28Å; T104-Y108 PolarHBondContact O-N 2.9Å
105M95.6Very high95Very high2 Ų256 Ų561%0.0129%0.285CS..Hα-helixtrans-62.6-45.7178.2-172.1179.9-69.200111.1I15 I18 I81 P82 P96 E101 E102 S107 Y108 L109I15-M105 HydrophobicContact CB-CE 4.33Å; I15-M105 HydrophobicContact CG2-CB 3.91Å; I15-M105 HydrophobicContact CG2-CE 3.81Å; I18-M105 HydrophobicContact CD1-SD 4.45Å; I81-M105 HydrophobicContact CB-SD 4.16Å; I81-M105 HydrophobicContact CD1-SD 4.19Å; P82-M105 HydrophobicContact CB-SD 4.25Å; P82-M105 HydrophobicContact CG-SD 3.94Å; P96-M105 HydrophobicContact CB-CE 4.21Å; P96-M105 HydrophobicContact CG-CE 4.49Å; E101-M105 VanDerWaalsContact O-CB 3.24Å; E101-M105 WeakPolarHBondContact O-CB 3.47Å; E101-M105 PolarHBondContact O-N 3.06Å; E102-M105 PolarHBondContact O-N 2.88Å; M105-S107 VanDerWaalsContact C-N 3.32Å; M105-S107 PolarHBondContact O-N 3.09Å; M105-Y108 PolarHBondContact O-N 2.88Å; M105-L109 HydrophobicContact CG-CD1 3.92Å; M105-L109 HydrophobicContact CG-CG 4.41Å; M105-L109 WeakPolarHBondContact O-CB 3.44Å; M105-L109 VanDerWaalsContact O-CG 3.29Å; M105-L109 WeakPolarHBondContact O-CG 3.41Å; M105-L109 PolarHBondContact O-N 3.05Å
106R94.5Very high94.9Very high75 Ų7556.8 Ų56.828%0.28328%0.281SS..Hα-helixtrans-60.6-43.7176.7-70.7-175.2-173.2-71.5-2.6111I81 D84 E102 E103 Q110I81-R106 HydrophobicContact CD1-CG 3.87Å; I81-R106 HydrophobicContact CG2-CG 3.94Å; D84-R106 IonicContact OD1-NH2 3.74Å; D84-R106 PolarHBondContact OD1-NH2 3.48Å; D84-R106 IonicContact OD2-CZ 2.67Å; D84-R106 IonicContact OD2-NH1 3.7Å; D84-R106 PolarHBondContact OD2-NH1 3.32Å; D84-R106 IonicContact OD2-NH2 3.05Å; D84-R106 PolarHBondContact OD2-NH2 3.45Å; E102-R106 WeakPolarHBondContact O-CB 3.11Å; E102-R106 WeakPolarHBondContact O-CG 3.15Å; E102-R106 PolarHBondContact O-N 3.3Å; E102-R106 IonicContact OE1-CZ 3.53Å; E102-R106 VanDerWaalsContact OE1-CZ 3.27Å; E102-R106 IonicContact OE1-NE 2.83Å; E102-R106 PolarHBondContact OE1-NE 3.09Å; E102-R106 IonicContact OE1-NH2 3.85Å; E102-R106 PolarHBondContact OE1-NH2 3.13Å; E103-R106 PolarHBondContact O-N 2.95Å; R106-Q110 VanDerWaalsContact O-CB 3.29Å; R106-Q110 WeakPolarHBondContact O-CB 3.48Å; R106-Q110 PolarHBondContact O-N 3.39Å
107S94.8Very high94.7Very high41 Ų4155.7 Ų55.729%0.28727%0.274SS..Hα-helixtrans-66.1-43.3178.1-170.80000112.3P30 E103 T104 M105 Q110 Q111P30-S107 WeakPolarHBondContact CD-OG 3.44Å; E103-S107 WeakPolarHBondContact O-CB 3.38Å; E103-S107 PolarHBondContact O-N 2.97Å; T104-S107 PolarHBondContact O-N 2.74Å; M105-S107 VanDerWaalsContact C-N 3.32Å; M105-S107 PolarHBondContact O-N 3.09Å; S107-Q110 PolarHBondContact O-N 3.37Å; S107-Q111 WeakPolarHBondContact O-CB 3.43Å; S107-Q111 PolarHBondContact O-N 3.09Å
108Y95.7Very high94.7Very high7 Ų754 Ų543%0.02726%0.26CS..Hα-helixtrans-62.1-48.3176.8-176.7-125.1000112I18 A19 L20 L21 L23 P30 A31 T104 M105 Q110 Q111 L112I18-Y108 HydrophobicContact CG2-CE1 4.13Å; A19-Y108 WeakPolarHBondContact O-CE1 3.29Å; A19-Y108 PolarHBondContact O-OH 3.31Å; L20-Y108 HydrophobicContact CD2-CD2 4.27Å; L20-Y108 HydrophobicContact CD2-CE2 4.09Å; L20-Y108 HydrophobicContact CG-CD2 4.35Å; L20-Y108 HydrophobicContact CG-CE2 4.37Å; L21-Y108 PolarHBondContact N-OH 3.16Å; L23-Y108 HydrophobicContact CD1-CE2 4.33Å; P30-Y108 HydrophobicContact CG-CD2 4.24Å; P30-Y108 HydrophobicContact CG-CG 4.33Å; A31-Y108 HydrophobicContact CB-CD2 4.04Å; A31-Y108 HydrophobicContact CB-CE2 3.82Å; T104-Y108 WeakPolarHBondContact O-CB 3.28Å; T104-Y108 PolarHBondContact O-N 2.9Å; M105-Y108 PolarHBondContact O-N 2.88Å; Y108-Q110 VanDerWaalsContact C-N 3.29Å; Y108-Q110 PolarHBondContact O-N 2.69Å; Y108-Q111 WeakPolarHBondContact O-CB 3.45Å; Y108-Q111 PolarHBondContact O-N 3.23Å; Y108-L112 HydrophobicContact CD1-CD1 3.97Å; Y108-L112 HydrophobicContact CE1-CD1 3.62Å; Y108-L112 HydrophobicContact CE1-CG 4.46Å; Y108-L112 HydrophobicContact CE2-CD1 4.3Å; Y108-L112 HydrophobicContact CE2-CG 4.28Å; Y108-L112 HydrophobicContact CG-CD1 4.46Å; Y108-L112 WeakPolarHBondContact O-CG 3.41Å; Y108-L112 PolarHBondContact O-N 3.2Å
109L94.8Very high94.6Very high33 Ų3351.3 Ų51.317%0.17324%0.244CC..Hα-helixtrans-64.5-34.4177.5-67.6172.8000111.9I81 M105 L112 R113I81-L109 HydrophobicContact CB-CD1 4.17Å; I81-L109 HydrophobicContact CG2-CD1 3.59Å; M105-L109 HydrophobicContact CG-CD1 3.92Å; M105-L109 HydrophobicContact CG-CG 4.41Å; M105-L109 WeakPolarHBondContact O-CB 3.44Å; M105-L109 VanDerWaalsContact O-CG 3.29Å; M105-L109 WeakPolarHBondContact O-CG 3.41Å; M105-L109 PolarHBondContact O-N 3.05Å; L109-L112 HydrophobicContact CD2-CD1 4.2Å; L109-R113 VanDerWaalsContact O-CG 3.28Å; L109-R113 WeakPolarHBondContact O-CG 3.22Å; L109-R113 PolarHBondContact O-N 3.08Å
110Q93.9Very high94.4Very high55 Ų5544.7 Ų44.726%0.25722%0.222SC..Hα-helixtrans-66.7-41.7172.9-170.8-171.658.600111.9L75 R106 S107 Y108 R113 Q114L75-Q110 HydrophobicContact CD2-CG 4.37Å; R106-Q110 VanDerWaalsContact O-CB 3.29Å; R106-Q110 WeakPolarHBondContact O-CB 3.48Å; R106-Q110 PolarHBondContact O-N 3.39Å; S107-Q110 PolarHBondContact O-N 3.37Å; Y108-Q110 VanDerWaalsContact C-N 3.29Å; Y108-Q110 PolarHBondContact O-N 2.69Å; Q110-R113 PolarHBondContact O-N 3.33Å; Q110-Q114 WeakPolarHBondContact O-CG 3.41Å; Q110-Q114 PolarHBondContact O-N 3.37Å; Q110-Q114 PolarHBondContact O-NE2 2.95Å
111Q95.6Very high94.1Very high5 Ų539.5 Ų39.52%0.02320%0.195CC..Hα-helixtrans-63-45.1176.8-167.8-179.418.500111L23 T25 F27 G29 S107 Y108 R113 Q114 E115L23-Q111 HydrophobicContact CD1-CG 4.43Å; T25-Q111 HydrophobicContact CG2-CG 4.12Å; F27-Q111 HydrophobicContact CB-CG 4.29Å; F27-Q111 PolarHBondContact O-NE2 3.11Å; G29-Q111 VanDerWaalsContact CA-CD 3.43Å; G29-Q111 VanDerWaalsContact CA-OE1 3.25Å; S107-Q111 WeakPolarHBondContact O-CB 3.43Å; S107-Q111 PolarHBondContact O-N 3.09Å; Y108-Q111 WeakPolarHBondContact O-CB 3.45Å; Y108-Q111 PolarHBondContact O-N 3.23Å; Q111-R113 PolarHBondContact O-N 2.83Å; Q111-Q114 PolarHBondContact O-N 3.26Å; Q111-E115 PolarHBondContact O-N 2.88Å; Q111-E115 VanDerWaalsContact O-N 3.12Å
112L95.4Very high94Very high36 Ų3640.9 Ų40.919%0.18820%0.204CC..Hα-helixtrans-56.4-46.7172.9-77.2168.7000112L23 I39 I40 Y108 L109 Q114 L116L23-L112 HydrophobicContact CD1-CD2 3.67Å; L23-L112 HydrophobicContact CD1-CG 4.14Å; L23-L112 HydrophobicContact CD2-CD2 3.88Å; L23-L112 HydrophobicContact CG-CD2 4.36Å; I39-L112 HydrophobicContact CG2-CD2 4.32Å; I40-L112 HydrophobicContact CD1-CD2 4.19Å; I40-L112 HydrophobicContact CG1-CD2 4.14Å; Y108-L112 HydrophobicContact CD1-CD1 3.97Å; Y108-L112 HydrophobicContact CE1-CD1 3.62Å; Y108-L112 HydrophobicContact CE1-CG 4.46Å; Y108-L112 HydrophobicContact CE2-CD1 4.3Å; Y108-L112 HydrophobicContact CE2-CG 4.28Å; Y108-L112 HydrophobicContact CG-CD1 4.46Å; Y108-L112 WeakPolarHBondContact O-CG 3.41Å; Y108-L112 PolarHBondContact O-N 3.2Å; L109-L112 HydrophobicContact CD2-CD1 4.2Å; L112-Q114 PolarHBondContact O-N 3.11Å; L112-L116 WeakPolarHBondContact O-CB 3.23Å; L112-L116 PolarHBondContact O-N 3.37Å
113R93.7Very high93.7Very high56 Ų5643.7 Ų43.721%0.21122%0.215CC..Hα-helixtrans-63.4-40.6-179.9-75.2-175-61.9-101.47.4113A74 L109 Q110 Q111 G117A74-R113 HydrophobicContact CB-CB 3.7Å; A74-R113 PolarHBondContact O-NE 3.19Å; A74-R113 VanDerWaalsContact O-NE 3.09Å; L109-R113 VanDerWaalsContact O-CG 3.28Å; L109-R113 WeakPolarHBondContact O-CG 3.22Å; L109-R113 PolarHBondContact O-N 3.08Å; Q110-R113 PolarHBondContact O-N 3.33Å; Q111-R113 PolarHBondContact O-N 2.83Å; R113-G117 PolarHBondContact O-N 3.12Å
114Q93.6Very high93.4Very high34 Ų3439.7 Ų39.716%0.15920%0.198CC..Hα-helixtrans-63.8-51.5179.3-74.3172.487.400110.6F27 A74 Q110 Q111 L112 G117 V118F27-Q114 HydrophobicContact CB-CB 4.32Å; F27-Q114 HydrophobicContact CD1-CB 3.92Å; F27-Q114 HydrophobicContact CD1-CG 4.31Å; F27-Q114 HydrophobicContact CD2-CB 3.56Å; F27-Q114 HydrophobicContact CE1-CB 4.09Å; F27-Q114 HydrophobicContact CE2-CB 3.77Å; F27-Q114 HydrophobicContact CG-CB 3.66Å; F27-Q114 HydrophobicContact CG-CG 4.42Å; F27-Q114 HydrophobicContact CZ-CB 4.03Å; A74-Q114 HydrophobicContact CB-CB 4.39Å; A74-Q114 HydrophobicContact CB-CG 3.74Å; Q110-Q114 WeakPolarHBondContact O-CG 3.41Å; Q110-Q114 PolarHBondContact O-N 3.37Å; Q110-Q114 PolarHBondContact O-NE2 2.95Å; Q111-Q114 PolarHBondContact O-N 3.26Å; L112-Q114 PolarHBondContact O-N 3.11Å; Q114-G117 PolarHBondContact O-N 3.19Å; Q114-V118 PolarHBondContact O-N 3.3Å
115E95.7Very high93.2Very high20 Ų2037.9 Ų37.99%0.09319%0.185CC..Hα-helixtrans-66.5-43.9-178.6-17262.2-146.900111.9T25 F27 I40 Q111 G117 V118 R119T25-E115 WeakPolarHBondContact CA-OE2 3.39Å; T25-E115 WeakPolarHBondContact CB-OE2 3.43Å; T25-E115 PolarHBondContact OG1-OE2 2.84Å; F27-E115 HydrophobicContact CD2-CB 4.17Å; F27-E115 WeakPolarHBondContact CD2-OE2 3.07Å; I40-E115 HydrophobicContact CD1-CB 3.52Å; I40-E115 HydrophobicContact CD1-CG 3.44Å; I40-E115 VanDerWaalsContact CD1-CG 3.44Å; Q111-E115 PolarHBondContact O-N 2.88Å; Q111-E115 VanDerWaalsContact O-N 3.12Å; E115-G117 VanDerWaalsContact C-N 3.27Å; E115-G117 PolarHBondContact O-N 3.47Å; E115-V118 PolarHBondContact O-N 2.82Å; E115-R119 WeakPolarHBondContact O-CG 3.39Å; E115-R119 PolarHBondContact O-N 3.39Å; E115-R119 IonicContact OE1-CZ 3.41Å; E115-R119 IonicContact OE1-NE 3.2Å; E115-R119 PolarHBondContact OE1-NE 3.46Å; E115-R119 IonicContact OE1-NH2 2.71Å; E115-R119 PolarHBondContact OE1-NH2 2.85Å
116L94.2Very high92.9Very high66 Ų6640.7 Ų40.735%0.34620%0.2SC..Hα-helixtrans-58.3-41.4174.5177.765.2000111.2I40 L44 L112 L120I40-L116 HydrophobicContact CG2-CB 4.35Å; I40-L116 HydrophobicContact CG2-CD1 3.95Å; L44-L116 HydrophobicContact CD1-CD1 4.39Å; L44-L116 HydrophobicContact CD2-CD1 3.71Å; L44-L116 HydrophobicContact CG-CD1 3.93Å; L112-L116 WeakPolarHBondContact O-CB 3.23Å; L112-L116 PolarHBondContact O-N 3.37Å; L116-L120 WeakPolarHBondContact O-CB 3.34Å; L116-L120 PolarHBondContact O-N 2.95Å
117G91.2Very high92.8Very high1 Ų143.2 Ų43.21%0.0123%0.227CC..Hα-helixtrans-61.8-44.3-179.900000113.2M70 R113 Q114 E115 C121M70-G117 VanDerWaalsContact CE-CA 3.45Å; R113-G117 PolarHBondContact O-N 3.12Å; Q114-G117 PolarHBondContact O-N 3.19Å; E115-G117 VanDerWaalsContact C-N 3.27Å; E115-G117 PolarHBondContact O-N 3.47Å; G117-C121 PolarHBondContact O-N 3.31Å; G117-C121 VanDerWaalsContact O-N 3.08Å; G117-C121 PolarHBondContact O-SG 3.48Å; G117-C121 VanDerWaalsContact O-SG 3.37Å
118V93.3Very high92.6Very high50 Ų5049.9 Ų49.930%0.30325%0.253SS..Hα-helixtrans-63.5-54176.8175.40000110.8F27 L67 Q114 E115 L120 C121 D122F27-V118 HydrophobicContact CE2-CG2 3.9Å; F27-V118 HydrophobicContact CZ-CG2 3.77Å; L67-V118 HydrophobicContact CD2-CG2 4.34Å; Q114-V118 PolarHBondContact O-N 3.3Å; E115-V118 PolarHBondContact O-N 2.82Å; V118-L120 VanDerWaalsContact C-N 3.28Å; V118-L120 PolarHBondContact O-N 3.35Å; V118-C121 WeakPolarHBondContact O-CB 3.2Å; V118-C121 PolarHBondContact O-N 3.05Å; V118-C121 VanDerWaalsContact O-N 3.11Å; V118-D122 PolarHBondContact O-N 2.86Å; V118-D122 VanDerWaalsContact O-N 3.09Å
119R94.4Very high92.5Very high19 Ų1953.2 Ų53.27%0.07228%0.275CS..Hα-helixtrans-65.3-32.6-177.4-63.6-167.3-162.9167.115.7112.5R24 D38 D41 L44 E115 D122 K123R24-R119 PolarHBondContact O-NH2 2.79Å; D38-R119 VanDerWaalsContact CG-NH1 3.33Å; D38-R119 IonicContact OD1-CZ 2.78Å; D38-R119 IonicContact OD1-NH1 3.46Å; D38-R119 PolarHBondContact OD1-NH1 3.29Å; D38-R119 IonicContact OD1-NH2 2.9Å; D38-R119 IonicContact OD2-CZ 3.27Å; D38-R119 IonicContact OD2-NH1 3.28Å; D38-R119 PolarHBondContact OD2-NH1 2.96Å; D38-R119 IonicContact OD2-NH2 3.42Å; D38-R119 PolarHBondContact OD2-NH2 3.42Å; D41-R119 IonicContact OD1-CZ 2.91Å; D41-R119 IonicContact OD1-NH1 3.84Å; D41-R119 PolarHBondContact OD1-NH1 2.99Å; D41-R119 IonicContact OD2-NH1 3.55Å; D41-R119 PolarHBondContact OD2-NH1 3.48Å; L44-R119 HydrophobicContact CD1-CB 3.71Å; E115-R119 WeakPolarHBondContact O-CG 3.39Å; E115-R119 PolarHBondContact O-N 3.39Å; E115-R119 IonicContact OE1-CZ 3.41Å; E115-R119 IonicContact OE1-NE 3.2Å; E115-R119 PolarHBondContact OE1-NE 3.46Å; E115-R119 IonicContact OE1-NH2 2.71Å; E115-R119 PolarHBondContact OE1-NH2 2.85Å; R119-D122 PolarHBondContact O-N 3.39Å; R119-K123 WeakPolarHBondContact O-CG 3.27Å; R119-K123 PolarHBondContact O-N 3.37Å
120L90.8Very high92.3Very high43 Ų4355 Ų5523%0.22528%0.284CS..Hα-helixtrans-65.5-44.4173.8-177.364.2000110.7L44 M70 L116 V118 D122 K123 V124 W136L44-L120 HydrophobicContact CD2-CB 4.36Å; L44-L120 HydrophobicContact CD2-CD1 3.84Å; M70-L120 HydrophobicContact CE-CD2 4.15Å; L116-L120 WeakPolarHBondContact O-CB 3.34Å; L116-L120 PolarHBondContact O-N 2.95Å; V118-L120 VanDerWaalsContact C-N 3.28Å; V118-L120 PolarHBondContact O-N 3.35Å; L120-D122 VanDerWaalsContact C-N 3.28Å; L120-D122 PolarHBondContact O-N 2.93Å; L120-K123 PolarHBondContact O-N 3.29Å; L120-V124 HydrophobicContact CD1-CG2 3.74Å; L120-V124 HydrophobicContact CG-CG2 3.85Å; L120-V124 WeakPolarHBondContact O-CB 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.24Å; L120-V124 PolarHBondContact O-N 3.04Å; L120-W136 HydrophobicContact CD1-CE3 3.89Å; L120-W136 HydrophobicContact CD1-CH2 4.46Å; L120-W136 HydrophobicContact CD1-CZ3 3.7Å
121C89.1Confident92.1Very high5 Ų561.1 Ų61.13%0.03431%0.305CS..Hα-helixtrans-58.5-40.3175-75.50000112K63 L67 G117 V118 K123 V124 F125K63-C121 HydrophobicContact CG-CB 4.45Å; L67-C121 HydrophobicContact CD2-CB 3.64Å; L67-C121 HydrophobicContact CG-CB 4.05Å; G117-C121 PolarHBondContact O-N 3.31Å; G117-C121 VanDerWaalsContact O-N 3.08Å; G117-C121 PolarHBondContact O-SG 3.48Å; G117-C121 VanDerWaalsContact O-SG 3.37Å; V118-C121 WeakPolarHBondContact O-CB 3.2Å; V118-C121 PolarHBondContact O-N 3.05Å; V118-C121 VanDerWaalsContact O-N 3.11Å; C121-K123 PolarHBondContact O-N 2.63Å; C121-V124 PolarHBondContact O-N 3.14Å; C121-F125 HydrophobicContact CB-CD2 4.24Å; C121-F125 WeakPolarHBondContact O-CD2 3.24Å; C121-F125 PolarHBondContact O-N 3.25Å
122D91.7Very high91.6Very high86 Ų8662.6 Ų62.646%0.4632%0.315SS..Hα-helixtrans-62.5-29.5175.3-68.9-26.1000113.5K63 V118 R119 L120K63-D122 WeakPolarHBondContact CE-OD1 3.44Å; K63-D122 IonicContact NZ-OD1 2.63Å; K63-D122 PolarHBondContact NZ-OD1 2.9Å; V118-D122 PolarHBondContact O-N 2.86Å; V118-D122 VanDerWaalsContact O-N 3.09Å; R119-D122 PolarHBondContact O-N 3.39Å; L120-D122 VanDerWaalsContact C-N 3.28Å; L120-D122 PolarHBondContact O-N 2.93Å
123K89.8Confident91.3Very high129 Ų12962.4 Ų62.456%0.56132%0.317SS*.Hα-helixtrans-86.9-33.5177.1-66-65.9-175.4-175.40113.4R119 L120 C121 W136R119-K123 WeakPolarHBondContact O-CG 3.27Å; R119-K123 PolarHBondContact O-N 3.37Å; L120-K123 PolarHBondContact O-N 3.29Å; C121-K123 PolarHBondContact O-N 2.63Å; K123-W136 HydrophobicContact CB-CH2 4.06Å; K123-W136 HydrophobicContact CB-CZ2 3.43Å; K123-W136 VanDerWaalsContact CB-CZ2 3.43Å; K123-W136 HydrophobicContact CD-CZ2 4.39Å; K123-W136 HydrophobicContact CG-CH2 4.43Å; K123-W136 HydrophobicContact CG-CZ2 3.98Å; K123-W136 PolarHBondContact O-NE1 2.84Å
124V89.3Confident90.8Very high18 Ų1866.3 Ų66.311%0.10934%0.335CS..Hα-helixtrans-78.7-43.4-174.6170.70000110.9L120 C121 P132 S133 W136L120-V124 HydrophobicContact CD1-CG2 3.74Å; L120-V124 HydrophobicContact CG-CG2 3.85Å; L120-V124 WeakPolarHBondContact O-CB 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.24Å; L120-V124 PolarHBondContact O-N 3.04Å; C121-V124 PolarHBondContact O-N 3.14Å; V124-P132 HydrophobicContact CG1-CB 4.05Å; V124-S133 WeakPolarHBondContact O-CB 3.36Å; V124-S133 PolarHBondContact O-N 2.73Å; V124-W136 HydrophobicContact CB-CB 4.44Å; V124-W136 HydrophobicContact CG1-CB 4.45Å; V124-W136 HydrophobicContact CG2-CB 3.86Å; V124-W136 HydrophobicContact CG2-CD2 4.13Å; V124-W136 HydrophobicContact CG2-CE3 4.27Å; V124-W136 HydrophobicContact CG2-CG 3.98Å
125F89.7Confident90.3Very high14 Ų1472.8 Ų72.86%0.06136%0.358CS..BIsolated β-bridgetrans-89.9131.7-174.9-69-85.5000111.4C60 S62 K63 C121 D130 P132C60-F125 HydrophobicContact CB-CZ 4.03Å; S62-F125 WeakPolarHBondContact O-CE1 3.09Å; S62-F125 VanDerWaalsContact O-CZ 3.31Å; S62-F125 WeakPolarHBondContact O-CZ 3.39Å; K63-F125 HydrophobicContact CB-CB 3.81Å; K63-F125 HydrophobicContact CB-CD1 4.11Å; K63-F125 HydrophobicContact CB-CD2 3.94Å; K63-F125 HydrophobicContact CB-CG 3.67Å; K63-F125 HydrophobicContact CD-CB 4.36Å; K63-F125 HydrophobicContact CG-CB 4.14Å; K63-F125 HydrophobicContact CG-CD2 4.05Å; K63-F125 HydrophobicContact CG-CG 4.17Å; C121-F125 HydrophobicContact CB-CD2 4.24Å; C121-F125 WeakPolarHBondContact O-CD2 3.24Å; C121-F125 PolarHBondContact O-N 3.25Å; F125-D130 WeakPolarHBondContact CD1-O 3.3Å; F125-P132 HydrophobicContact CD1-CB 4.31Å; F125-P132 HydrophobicContact CE1-CB 3.98Å; F125-P132 HydrophobicContact CE1-CG 4.43Å; F125-P132 HydrophobicContact CZ-CB 4.5Å
126D89.9Confident89.7Confident61 Ų6173.2 Ų73.233%0.32636%0.359SS..  trans-72.1128176.2179.4-79.3000110.1E128 T129 D130 R131D126-E128 VanDerWaalsContact C-N 3.25Å; D126-E128 PolarHBondContact O-N 2.83Å; D126-E128 WeakPolarHBondContact OD1-CA 3.49Å; D126-E128 WeakPolarHBondContact OD1-CB 3.29Å; D126-E128 PolarHBondContact OD1-N 3.4Å; D126-T129 VanDerWaalsContact CB-OG1 3.3Å; D126-T129 WeakPolarHBondContact CB-OG1 3.36Å; D126-T129 PolarHBondContact OD1-N 2.88Å; D126-T129 PolarHBondContact OD1-OG1 3.36Å; D126-D130 VanDerWaalsContact O-CA 3.27Å; D126-D130 WeakPolarHBondContact O-CA 3.13Å; D126-D130 PolarHBondContact O-N 3.47Å; D126-R131 PolarHBondContact N-O 3.39Å
127P91.2Very high89.1Confident128 Ų12871 Ų7183%0.83135%0.349SS*.THydrogen-bonded Turntrans-69.9-19.4-173.527.8-34.9000113.9
128E91.9Very high88.5Confident181 Ų18172.5 Ų72.585%0.84636%0.358SS*.THydrogen-bonded Turntrans-90.4-39.8179.8-61.1-178.5178.700111.5D126D126-E128 VanDerWaalsContact C-N 3.25Å; D126-E128 PolarHBondContact O-N 2.83Å; D126-E128 WeakPolarHBondContact OD1-CA 3.49Å; D126-E128 WeakPolarHBondContact OD1-CB 3.29Å; D126-E128 PolarHBondContact OD1-N 3.4Å
129T92.3Very high87.8Confident78 Ų7870.9 Ų70.948%0.47935%0.347SS..THydrogen-bonded Turntrans-103.5-13.8-172.363.40000114.4D126 R131D126-T129 VanDerWaalsContact CB-OG1 3.3Å; D126-T129 WeakPolarHBondContact CB-OG1 3.36Å; D126-T129 PolarHBondContact OD1-N 2.88Å; D126-T129 PolarHBondContact OD1-OG1 3.36Å; T129-R131 PolarHBondContact O-N 3.17Å; T129-R131 PolarHBondContact OG1-N 3.41Å
130D91.8Very high87Confident70 Ų7072.7 Ų72.737%0.37437%0.366SS..  trans56.615.6-172.4-162.128.1000113.9S62 K63 F125 D126S62-D130 WeakPolarHBondContact CB-OD2 3.22Å; K63-D130 WeakPolarHBondContact CB-OD1 3.31Å; K63-D130 PolarHBondContact N-OD1 3.48Å; F125-D130 WeakPolarHBondContact CD1-O 3.3Å; D126-D130 VanDerWaalsContact O-CA 3.27Å; D126-D130 WeakPolarHBondContact O-CA 3.13Å; D126-D130 PolarHBondContact O-N 3.47Å
131R88.9Confident86.2Confident183 Ų18376.9 Ų76.969%0.69138%0.383SS*.PPolyproline II helixtrans-93.5148.1179.7-68.7-175-177.9-171.60.8111D126 T129 S133D126-R131 PolarHBondContact N-O 3.39Å; T129-R131 PolarHBondContact O-N 3.17Å; T129-R131 PolarHBondContact OG1-N 3.41Å; R131-S133 PolarHBondContact O-N 3Å
132P86.6Confident85.6Confident37 Ų3779 Ų7924%0.2439%0.39CS..BIsolated β-bridgetrans-69.9128.3176.330.3-35.5000110.7V58 V124 F125 K134 T137V58-P132 HydrophobicContact CB-CB 4.48Å; V58-P132 HydrophobicContact CG1-CB 3.92Å; V58-P132 HydrophobicContact CG1-CG 4.05Å; V124-P132 HydrophobicContact CG1-CB 4.05Å; F125-P132 HydrophobicContact CD1-CB 4.31Å; F125-P132 HydrophobicContact CE1-CB 3.98Å; F125-P132 HydrophobicContact CE1-CG 4.43Å; F125-P132 HydrophobicContact CZ-CB 4.5Å; P132-K134 PolarHBondContact O-N 2.87Å; P132-T137 HydrophobicContact CB-CG2 3.71Å; P132-T137 HydrophobicContact CG-CG2 4.38Å
133S87.1Confident84.8Confident32 Ų3281.1 Ų81.122%0.22439%0.391CS..PPolyproline II helixtrans-66120.8-178.3178.40000111.3V124 R131 W135 W136 T137V124-S133 WeakPolarHBondContact O-CB 3.36Å; V124-S133 PolarHBondContact O-N 2.73Å; R131-S133 PolarHBondContact O-N 3Å; S133-W135 PolarHBondContact O-N 3.04Å; S133-W135 PolarHBondContact OG-N 2.84Å; S133-W136 PolarHBondContact O-N 3.32Å; S133-T137 WeakPolarHBondContact O-CG2 3.46Å; S133-T137 PolarHBondContact O-N 2.96Å
134K83.7Confident84.2Confident138 Ų13880.4 Ų80.460%0.639%0.389SS*.Hα-helixtrans-53.8-23.817671.4178.7-178.3-176.60113.9P132 W136 T137 C138P132-K134 PolarHBondContact O-N 2.87Å; K134-W136 PolarHBondContact O-N 3.33Å; K134-T137 WeakPolarHBondContact CA-OG1 3.39Å; K134-C138 VanDerWaalsContact O-CB 3.27Å; K134-C138 WeakPolarHBondContact O-CB 3.37Å; K134-C138 PolarHBondContact O-N 3.21Å; K134-C138 PolarHBondContact O-SG 2.8Å; K134-C138 VanDerWaalsContact O-SG 3.35Å
135W83Confident83.7Confident169 Ų16984.8 Ų84.864%0.6441%0.409SS*.Hα-helixtrans-78.7-5.5178-53.2119.7000114S133 F139S133-W135 PolarHBondContact O-N 3.04Å; S133-W135 PolarHBondContact OG-N 2.84Å; W135-F139 VanDerWaalsContact O-CE2 3.22Å; W135-F139 WeakPolarHBondContact O-CE2 3.27Å
136W84Confident83.2Confident29 Ų2992.6 Ų92.611%0.1145%0.446CS..Hα-helixtrans-113.1-44.1170.3-76.696.1000111.2L44 F47 K48 L120 K123 V124 S133 K134 C138 F139L44-W136 HydrophobicContact CD2-CH2 4.39Å; L44-W136 HydrophobicContact CD2-CZ3 4.48Å; F47-W136 HydrophobicContact CD1-CE3 4.37Å; F47-W136 AromaticContact CD1-CZ3 3.88Å; F47-W136 HydrophobicContact CD1-CZ3 3.88Å; F47-W136 HydrophobicContact CE1-CZ3 4.41Å; K48-W136 HydrophobicContact CD-CZ2 4.46Å; K48-W136 VanDerWaalsContact CE-CD2 3.47Å; K48-W136 HydrophobicContact CG-CH2 4.48Å; K48-W136 VanDerWaalsContact NZ-NE1 3.19Å; L120-W136 HydrophobicContact CD1-CE3 3.89Å; L120-W136 HydrophobicContact CD1-CH2 4.46Å; L120-W136 HydrophobicContact CD1-CZ3 3.7Å; K123-W136 HydrophobicContact CB-CH2 4.06Å; K123-W136 HydrophobicContact CB-CZ2 3.43Å; K123-W136 VanDerWaalsContact CB-CZ2 3.43Å; K123-W136 HydrophobicContact CD-CZ2 4.39Å; K123-W136 HydrophobicContact CG-CH2 4.43Å; K123-W136 HydrophobicContact CG-CZ2 3.98Å; K123-W136 PolarHBondContact O-NE1 2.84Å; V124-W136 HydrophobicContact CB-CB 4.44Å; V124-W136 HydrophobicContact CG1-CB 4.45Å; V124-W136 HydrophobicContact CG2-CB 3.86Å; V124-W136 HydrophobicContact CG2-CD2 4.13Å; V124-W136 HydrophobicContact CG2-CE3 4.27Å; V124-W136 HydrophobicContact CG2-CG 3.98Å; S133-W136 PolarHBondContact O-N 3.32Å; K134-W136 PolarHBondContact O-N 3.33Å; W136-C138 PolarHBondContact O-N 3.13Å; W136-F139 WeakPolarHBondContact O-CD2 3.49Å; W136-F139 PolarHBondContact O-N 3.48Å; W136-F139 VanDerWaalsContact O-N 3.14Å
137T81.2Confident82.7Confident20 Ų2094.6 Ų94.612%0.12345%0.452CS..Hα-helixtrans-62.8-31-177.366.20000112.7Y56 V58 P132 S133 K134 F139 A140Y56-T137 CarbonylContact O-C 3.4Å; V58-T137 HydrophobicContact CB-CG2 3.49Å; V58-T137 VanDerWaalsContact CB-CG2 3.49Å; V58-T137 HydrophobicContact CG1-CG2 4.19Å; V58-T137 VanDerWaalsContact CG2-CB 3.4Å; V58-T137 HydrophobicContact CG2-CG2 3.31Å; P132-T137 HydrophobicContact CB-CG2 3.71Å; P132-T137 HydrophobicContact CG-CG2 4.38Å; S133-T137 WeakPolarHBondContact O-CG2 3.46Å; S133-T137 PolarHBondContact O-N 2.96Å; K134-T137 WeakPolarHBondContact CA-OG1 3.39Å; T137-F139 PolarHBondContact O-N 3.3Å; T137-A140 VanDerWaalsContact O-CB 3.25Å; T137-A140 WeakPolarHBondContact O-CB 3.11Å; T137-A140 PolarHBondContact O-N 2.86Å
138C78.8Confident82.3Confident32 Ų3290.4 Ų90.422%0.21643%0.425CS..THydrogen-bonded Turntrans-59.7-10.5177.269.90000114.3S55 K134 W136S55-C138 VanDerWaalsContact CA-O 3.24Å; S55-C138 WeakPolarHBondContact CA-O 3.46Å; K134-C138 VanDerWaalsContact O-CB 3.27Å; K134-C138 WeakPolarHBondContact O-CB 3.37Å; K134-C138 PolarHBondContact O-N 3.21Å; K134-C138 PolarHBondContact O-SG 2.8Å; K134-C138 VanDerWaalsContact O-SG 3.35Å; W136-C138 PolarHBondContact O-N 3.13Å
139F79.3Confident81.8Confident17 Ų1786 Ų868%0.07541%0.407CS..THydrogen-bonded Turntrans-94.5-7.2176.1-59.8-63.8000114.1F47 K48 I51 F52 W135 W136 T137 K141 R142F47-F139 HydrophobicContact CE1-CB 4.32Å; K48-F139 HydrophobicContact CD-CE2 4.45Å; K48-F139 HydrophobicContact CG-CE2 4.03Å; I51-F139 HydrophobicContact CB-CD1 4.22Å; I51-F139 HydrophobicContact CG2-CB 3.94Å; I51-F139 HydrophobicContact CG2-CD1 3.77Å; I51-F139 HydrophobicContact CG2-CG 4.17Å; I51-F139 WeakPolarHBondContact O-CD1 3.35Å; I51-F139 WeakPolarHBondContact O-CE1 3.42Å; F52-F139 HydrophobicContact CD1-CE1 4.43Å; F52-F139 HydrophobicContact CE1-CZ 4.45Å; W135-F139 VanDerWaalsContact O-CE2 3.22Å; W135-F139 WeakPolarHBondContact O-CE2 3.27Å; W136-F139 WeakPolarHBondContact O-CD2 3.49Å; W136-F139 PolarHBondContact O-N 3.48Å; W136-F139 VanDerWaalsContact O-N 3.14Å; T137-F139 PolarHBondContact O-N 3.3Å; F139-K141 VanDerWaalsContact C-N 3.3Å; F139-K141 PolarHBondContact O-N 3.01Å; F139-K141 VanDerWaalsContact O-N 3.13Å; F139-R142 VanDerWaalsContact CD1-NH2 3.29Å; F139-R142 VanDerWaalsContact CE1-NH2 3.32Å; F139-R142 WeakPolarHBondContact O-CD 3.41Å; F139-R142 PolarHBondContact O-N 2.86Å
140A77.1Confident81.2Confident57 Ų5785 Ų8547%0.47140%0.399SS..THydrogen-bonded Turntrans-61.2-27.5-168.600000115.3Y56 V58 T137Y56-A140 HydrophobicContact CD1-CB 4.3Å; V58-A140 HydrophobicContact CG2-CB 4.45Å; T137-A140 VanDerWaalsContact O-CB 3.25Å; T137-A140 WeakPolarHBondContact O-CB 3.11Å; T137-A140 PolarHBondContact O-N 2.86Å
141K73.2Confident80.2Confident130 Ų13085.6 Ų85.657%0.56541%0.406SS*.THydrogen-bonded Turntrans-82.7-7175.8-101.6171.5-173.8163.70114.8Y56 F139Y56-K141 VanDerWaalsContact CB-CD 3.47Å; Y56-K141 HydrophobicContact CD1-CB 4.47Å; Y56-K141 HydrophobicContact CD1-CD 4.07Å; Y56-K141 HydrophobicContact CD1-CG 3.59Å; Y56-K141 HydrophobicContact CD2-CD 3.55Å; Y56-K141 HydrophobicContact CD2-CG 4.05Å; Y56-K141 HydrophobicContact CE1-CG 4.33Å; Y56-K141 HydrophobicContact CE2-CD 4.24Å; Y56-K141 HydrophobicContact CG-CB 4.18Å; Y56-K141 HydrophobicContact CG-CD 3.4Å; Y56-K141 VanDerWaalsContact CG-CD 3.4Å; Y56-K141 HydrophobicContact CG-CG 3.37Å; F139-K141 VanDerWaalsContact C-N 3.3Å; F139-K141 PolarHBondContact O-N 3.01Å; F139-K141 VanDerWaalsContact O-N 3.13Å
142R76.3Confident79.2Confident51 Ų5182.6 Ų82.619%0.19241%0.41CS..  trans-98.4148.4-171.6-64123.9150.9-87.258.2112.1I51 F52 F53 R54 F139I51-R142 HydrophobicContact CG2-CB 3.54Å; I51-R142 HydrophobicContact CG2-CG 4.28Å; I51-R142 PolarHBondContact O-NH1 2.71Å; I51-R142 PolarHBondContact O-NH2 3.2Å; F52-R142 VanDerWaalsContact C-CZ 3.43Å; F52-R142 PolarHBondContact O-NH1 2.8Å; F53-R142 PolarHBondContact O-NE 3.16Å; F53-R142 PolarHBondContact O-NH1 2.9Å; F53-R142 PolarHBondContact O-NH2 3.36Å; R54-R142 WeakPolarHBondContact O-CD 3.03Å; R54-R142 PolarHBondContact O-NE 3.2Å; F139-R142 VanDerWaalsContact CD1-NH2 3.29Å; F139-R142 VanDerWaalsContact CE1-NH2 3.32Å; F139-R142 WeakPolarHBondContact O-CD 3.41Å; F139-R142 PolarHBondContact O-N 2.86Å
143R76.2Confident78Confident129 Ų12984.6 Ų84.649%0.48744%0.438SS..  trans-119.6128.5-179.1-69.2179.7-177.2-179.6-0.1108.7M145 E146 K147R143-M145 PolarHBondContact O-N 3.43Å; R143-E146 PolarHBondContact O-N 3.25Å; R143-K147 WeakPolarHBondContact CB-O 3.36Å
144F77.3Confident76.8Confident115 Ų11587.2 Ų87.250%0.50445%0.452SS..G310 helixtrans-63.2127.6168.2179.9-110.2000108.9N50 E146 K147N50-F144 HydrophobicContact CB-CD2 4.45Å; N50-F144 HydrophobicContact CB-CE2 4.39Å; F144-E146 PolarHBondContact O-N 3.46Å; F144-E146 VanDerWaalsContact O-N 3.11Å; F144-K147 PolarHBondContact O-N 3.2Å
145M79.1Confident75.4Confident110 Ų11086 Ų8654%0.54247%0.468SS..G310 helixtrans54.625.8-177.4-57176.367.500114.9M89 R143 K147M89-M145 HydrophobicContact CE-SD 4.43Å; R143-M145 PolarHBondContact O-N 3.43Å; M145-K147 HydrophobicContact CB-CG 4.24Å; M145-K147 WeakPolarHBondContact O-CG 3.49Å; M145-K147 PolarHBondContact O-N 3.5Å
146E79.4Confident75Confident177 Ų17781.9 Ų81.983%0.82746%0.46SS*.G310 helixtrans57.516.8-173.5-56.6-116.9148.300114R143 F144R143-E146 PolarHBondContact O-N 3.25Å; F144-E146 PolarHBondContact O-N 3.46Å; F144-E146 VanDerWaalsContact O-N 3.11Å
147K79.4Confident74.6Confident104 Ų10484.6 Ų84.645%0.45248%0.478SS..  trans-100.9151.5-179.1-61.7-48.8-175.6169.80111.6P88 M89 R143 F144 M145P88-K147 HydrophobicContact CB-CB 3.89Å; P88-K147 HydrophobicContact CB-CD 4.03Å; P88-K147 HydrophobicContact CB-CG 4.12Å; P88-K147 HydrophobicContact CG-CB 4.19Å; M89-K147 HydrophobicContact CG-CG 4.49Å; R143-K147 WeakPolarHBondContact CB-O 3.36Å; F144-K147 PolarHBondContact O-N 3.2Å; M145-K147 HydrophobicContact CB-CG 4.24Å; M145-K147 WeakPolarHBondContact O-CG 3.49Å; M145-K147 PolarHBondContact O-N 3.5Å
148S81.6Confident74.2Confident39 Ų3988.2 Ų88.227%0.27350%0.498SS..  trans-134.6138.3176.3179.50000109.6P88 L150P88-S148 WeakPolarHBondContact CG-O 3.4Å; S148-L150 VanDerWaalsContact C-N 3.31Å; S148-L150 WeakPolarHBondContact CB-O 3.37Å; S148-L150 PolarHBondContact OG-N 3.06Å; S148-L150 VanDerWaalsContact OG-N 3.09Å; S148-L150 PolarHBondContact OG-O 2.97Å
149L82.2Confident73.9Confident90 Ų9091.5 Ų91.547%0.47151%0.514SS..SBendtrans-79.3-19.8168.5-68.8175000112.1L79 P80 F87 P88L79-L149 HydrophobicContact CD2-CB 4.47Å; P80-L149 WeakPolarHBondContact CD-O 3.45Å; F87-L149 HydrophobicContact CD2-CD2 4.1Å; F87-L149 HydrophobicContact CE2-CD2 3.96Å; P88-L149 HydrophobicContact CG-CD2 4.19Å
150L79.3Confident73.6Confident56 Ų5696.2 Ų96.229%0.29354%0.542SS..SBendtrans-93.6143.8175.9-64.2175.7000110.2L79 S148 V154L79-L150 HydrophobicContact CD2-CD2 3.7Å; S148-L150 VanDerWaalsContact C-N 3.31Å; S148-L150 WeakPolarHBondContact CB-O 3.37Å; S148-L150 PolarHBondContact OG-N 3.06Å; S148-L150 VanDerWaalsContact OG-N 3.09Å; S148-L150 PolarHBondContact OG-O 2.97Å; L150-V154 HydrophobicContact CB-CB 4.32Å; L150-V154 HydrophobicContact CD1-CG1 4.48Å
151P70Confident73.4Confident82 Ų8298.8 Ų98.853%0.53255%0.547SS..PPolyproline II helixtrans-54.8154.7172.2-23.132.4000112.3G153 V154P151-G153 PolarHBondContact O-N 3.26Å; P151-V154 HydrophobicContact CB-CG2 4.24Å; P151-V154 HydrophobicContact CG-CG2 4.45Å; P151-V154 PolarHBondContact O-N 3.45Å
152P67.9Low73.4Confident120 Ų12096.6 Ų96.678%0.77955%0.545SS*.THydrogen-bonded Turntrans-51.8130.1168.9-23.333.5000111.1
153G62.6Low73.1Confident80 Ų80100.1 Ų100.183%0.82557%0.572SS**THydrogen-bonded Turntrans98.4-4.4177.200000116.5P151 A155P151-G153 PolarHBondContact O-N 3.26Å; G153-A155 PolarHBondContact O-N 2.97Å
154V62Low72.9Confident86 Ų8697.7 Ų97.752%0.52158%0.58SS.*  trans-99.544.3-179.1-168.50000111.8L150 P151L150-V154 HydrophobicContact CB-CB 4.32Å; L150-V154 HydrophobicContact CD1-CG1 4.48Å; P151-V154 HydrophobicContact CB-CG2 4.24Å; P151-V154 HydrophobicContact CG-CG2 4.45Å; P151-V154 PolarHBondContact O-N 3.45Å
155A54Low72.5Confident113 Ų11396.1 Ų96.193%0.93459%0.586SS**  trans-131.40-178.100000113.7G153G153-A155 PolarHBondContact O-N 2.97Å

Retrieved 155 of 155 residues in 170.2 ms (Link to these results)

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