A0A077Z979_TRITR Loading...

Translin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z979, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 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
1M44.8Very low46.7Very low241 Ų241152.5 Ų152.5100%1.18786%0.861SS**  080.70-74.3178.916900107.8
2I44.8Very low47Very low169 Ų169148.8 Ų148.887%0.86785%0.852SS**  trans-139.191.5175.2-58.5178.1000104.5
3S49.9Very low47.8Very low102 Ų102146.4 Ų146.471%0.71385%0.85SS**  trans-110.6126.217646.40000108.4
4D52.9Low49.6Very low150 Ų150142.6 Ų142.680%0.80282%0.821SS**  trans67.574.4151.3-61.6-34.6000118.7
5I49.8Very low52.1Low182 Ų182138.1 Ų138.193%0.93380%0.796SS**  trans-88.887143.4-58.2169.5000105.4
6G47.7Very low54.4Low65 Ų65137.4 Ų137.467%0.6779%0.787SS**  trans-155.829.1-166.100000116.6
7S42.9Very low56.6Low114 Ų114138.5 Ų138.580%0.79778%0.784SS**  trans-145.743.1-172.162.50000116.1
8D44.3Very low58.6Low170 Ų170135.5 Ų135.591%0.90977%0.765SS**  trans-137.929.8179.2-121.1-0.6000116.1
9S45.3Very low60.4Low116 Ų116130.6 Ų130.681%0.81174%0.744SS**  trans-128.331.4-177.664.20000115.4
10R41.7Very low62.1Low247 Ų247131.3 Ų131.393%0.93274%0.738SS**  trans-11526.8-175-87.5-174.3173.8176.9-0.6116.3S12R10-S12 PolarHBondContact O-N 3.27Å
11S49.1Very low63.6Low121 Ų121131 Ų13185%0.84673%0.731SS**SBendtrans-91.186.3165.5-163.40000110
12S50.7Low65.9Low108 Ų108127.4 Ų127.476%0.75570%0.704SS**  trans3194154.7-40.10000118.3R10 E14R10-S12 PolarHBondContact O-N 3.27Å; S12-E14 PolarHBondContact O-N 3.06Å
13S57.2Low68.3Low118 Ų118127 Ų12783%0.82569%0.692SS**  trans-67.298.7161.2-178.90000108.3T15S13-T15 PolarHBondContact O-N 3.3Å
14E73.1Confident70.4Confident94 Ų94127.3 Ų127.344%0.43968%0.683SS.*  trans-53.9121.2168.8-176.2170.2-160.300108.6S12 D18 A19 R22S12-E14 PolarHBondContact O-N 3.06Å; E14-D18 HydrophobicContact CG-CB 3.89Å; E14-A19 HydrophobicContact CG-CB 4.31Å; E14-R22 VanDerWaalsContact CD-NH1 3.31Å; E14-R22 WeakPolarHBondContact OE1-CD 3.4Å; E14-R22 IonicContact OE1-CZ 3.63Å; E14-R22 IonicContact OE1-NE 3.81Å; E14-R22 IonicContact OE1-NH1 2.7Å; E14-R22 PolarHBondContact OE1-NH1 3.13Å; E14-R22 IonicContact OE2-NH1 3.19Å; E14-R22 PolarHBondContact OE2-NH1 3Å
15T87.3Confident72.4Confident74 Ų74126.9 Ų126.945%0.45467%0.674SS.*  trans-69.5148.5176.7-450000107.9S13 E17 D18 A19S13-T15 PolarHBondContact O-N 3.3Å; T15-E17 HydrophobicContact CG2-CB 4.2Å; T15-E17 HydrophobicContact CG2-CG 4.38Å; T15-E17 PolarHBondContact O-N 3.13Å; T15-E17 VanDerWaalsContact O-N 3.13Å; T15-D18 VanDerWaalsContact CB-OD2 3.27Å; T15-D18 WeakPolarHBondContact CB-OD2 3.35Å; T15-D18 PolarHBondContact N-OD2 3.08Å; T15-D18 VanDerWaalsContact N-OD2 3.11Å; T15-D18 WeakPolarHBondContact O-CB 3.03Å; T15-D18 PolarHBondContact O-N 2.95Å; T15-D18 PolarHBondContact OG1-OD2 3.47Å; T15-D18 VanDerWaalsContact OG1-OD2 3.11Å; T15-A19 PolarHBondContact O-N 2.93Å; T15-A19 VanDerWaalsContact O-N 3.09Å
16I88.9Confident74.3Confident128 Ų128121.5 Ų121.566%0.65665%0.652SS**Hα-helixtrans-51.1-39173.1-67.5172.8000110.5D18 A19 F20I16-D18 PolarHBondContact O-N 2.94Å; I16-A19 PolarHBondContact O-N 3.35Å; I16-F20 HydrophobicContact CG2-CD2 3.55Å; I16-F20 HydrophobicContact CG2-CE2 3.45Å; I16-F20 VanDerWaalsContact CG2-CE2 3.45Å; I16-F20 VanDerWaalsContact O-CD2 3.23Å; I16-F20 WeakPolarHBondContact O-CD2 3.27Å; I16-F20 PolarHBondContact O-N 2.96Å
17E91.3Very high76.4Confident156 Ų156121.9 Ų121.973%0.72964%0.639SS**Hα-helixtrans-59.4-42.9174.7-64.9-179.3178.900113.2T15 A19 F20 H21T15-E17 HydrophobicContact CG2-CB 4.2Å; T15-E17 HydrophobicContact CG2-CG 4.38Å; T15-E17 PolarHBondContact O-N 3.13Å; T15-E17 VanDerWaalsContact O-N 3.13Å; E17-A19 VanDerWaalsContact C-N 3.35Å; E17-A19 PolarHBondContact O-N 3.18Å; E17-F20 PolarHBondContact O-N 3.33Å; E17-H21 WeakPolarHBondContact O-CB 3.32Å; E17-H21 PolarHBondContact O-N 3.24Å
18D93.4Very high78.8Confident84 Ų84121.3 Ų121.345%0.44962%0.623SS.*Hα-helixtrans-64.3-41.7177.4-62.4-45.5000110.9E14 T15 I16 H21 R22E14-D18 HydrophobicContact CG-CB 3.89Å; T15-D18 VanDerWaalsContact CB-OD2 3.27Å; T15-D18 WeakPolarHBondContact CB-OD2 3.35Å; T15-D18 PolarHBondContact N-OD2 3.08Å; T15-D18 VanDerWaalsContact N-OD2 3.11Å; T15-D18 WeakPolarHBondContact O-CB 3.03Å; T15-D18 PolarHBondContact O-N 2.95Å; T15-D18 PolarHBondContact OG1-OD2 3.47Å; T15-D18 VanDerWaalsContact OG1-OD2 3.11Å; I16-D18 PolarHBondContact O-N 2.94Å; D18-H21 PolarHBondContact O-N 3.33Å; D18-R22 WeakPolarHBondContact O-CG 3.44Å; D18-R22 PolarHBondContact O-N 3.29Å
19A93Very high81Confident43 Ų43120.8 Ų120.836%0.35561%0.613SS.*Hα-helixtrans-63.9-44.8176.900000111.8E14 T15 I16 E17 R22 Y23E14-A19 HydrophobicContact CG-CB 4.31Å; T15-A19 PolarHBondContact O-N 2.93Å; T15-A19 VanDerWaalsContact O-N 3.09Å; I16-A19 PolarHBondContact O-N 3.35Å; E17-A19 VanDerWaalsContact C-N 3.35Å; E17-A19 PolarHBondContact O-N 3.18Å; A19-R22 PolarHBondContact O-N 3.05Å; A19-Y23 WeakPolarHBondContact O-CB 3.42Å; A19-Y23 PolarHBondContact O-N 3.37Å
20F94.5Very high83Confident143 Ų143118.2 Ų118.263%0.62759%0.592SS**Hα-helixtrans-62.9-42.7174.6-86.7-74.4000111.9I16 E17 R22 Y23 Q24I16-F20 HydrophobicContact CG2-CD2 3.55Å; I16-F20 HydrophobicContact CG2-CE2 3.45Å; I16-F20 VanDerWaalsContact CG2-CE2 3.45Å; I16-F20 VanDerWaalsContact O-CD2 3.23Å; I16-F20 WeakPolarHBondContact O-CD2 3.27Å; I16-F20 PolarHBondContact O-N 2.96Å; E17-F20 PolarHBondContact O-N 3.33Å; F20-R22 VanDerWaalsContact C-N 3.34Å; F20-R22 PolarHBondContact O-N 3.02Å; F20-Y23 PolarHBondContact O-N 2.91Å; F20-Q24 WeakPolarHBondContact O-CB 3.25Å; F20-Q24 PolarHBondContact O-N 3.05Å
21H93.7Very high85.3Confident127 Ų127111.4 Ų111.459%0.58857%0.571SS**Hα-helixtrans-63.7-39.7178-168.5-34.5000111.7E17 D18 K25E17-H21 WeakPolarHBondContact O-CB 3.32Å; E17-H21 PolarHBondContact O-N 3.24Å; D18-H21 PolarHBondContact O-N 3.33Å; H21-K25 WeakPolarHBondContact O-CB 3.44Å; H21-K25 PolarHBondContact O-N 3.03Å
22R93.4Very high87.3Confident165 Ų165108.9 Ų108.962%0.62355%0.553SS**Hα-helixtrans-64.2-43.6174.1-74.7173.967-161.4-0.3111.9E14 D18 A19 F20 K25 S26E14-R22 VanDerWaalsContact CD-NH1 3.31Å; E14-R22 WeakPolarHBondContact OE1-CD 3.4Å; E14-R22 IonicContact OE1-CZ 3.63Å; E14-R22 IonicContact OE1-NE 3.81Å; E14-R22 IonicContact OE1-NH1 2.7Å; E14-R22 PolarHBondContact OE1-NH1 3.13Å; E14-R22 IonicContact OE2-NH1 3.19Å; E14-R22 PolarHBondContact OE2-NH1 3Å; D18-R22 WeakPolarHBondContact O-CG 3.44Å; D18-R22 PolarHBondContact O-N 3.29Å; A19-R22 PolarHBondContact O-N 3.05Å; F20-R22 VanDerWaalsContact C-N 3.34Å; F20-R22 PolarHBondContact O-N 3.02Å; R22-K25 PolarHBondContact O-N 3.48Å; R22-S26 PolarHBondContact O-N 3.23Å
23Y93.5Very high89.3Confident159 Ų159105.6 Ų105.662%0.62453%0.527SS*.Hα-helixtrans-62.8-46.3177.4-177.6-101.3000111.5A19 F20 K25 S26 L27A19-Y23 WeakPolarHBondContact O-CB 3.42Å; A19-Y23 PolarHBondContact O-N 3.37Å; F20-Y23 PolarHBondContact O-N 2.91Å; Y23-K25 PolarHBondContact O-N 3.34Å; Y23-S26 WeakPolarHBondContact O-CB 3.42Å; Y23-S26 PolarHBondContact O-N 3.19Å; Y23-S26 VanDerWaalsContact O-N 3.12Å; Y23-L27 PolarHBondContact O-N 3.33Å
24Q94.5Very high90.9Very high109 Ų109107.1 Ų107.151%0.50951%0.514SS..Hα-helixtrans-57.3-47.5175.7-178.5178.9-12.700111.6F20 S26 L27 E28F20-Q24 WeakPolarHBondContact O-CB 3.25Å; F20-Q24 PolarHBondContact O-N 3.05Å; Q24-S26 VanDerWaalsContact C-N 3.27Å; Q24-S26 PolarHBondContact O-N 3.23Å; Q24-L27 WeakPolarHBondContact O-CB 3.4Å; Q24-L27 PolarHBondContact O-N 3.29Å; Q24-L27 VanDerWaalsContact O-N 3.07Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.41Å; Q24-E28 PolarHBondContact NE2-OE1 2.93Å; Q24-E28 WeakPolarHBondContact O-CG 3.17Å; Q24-E28 PolarHBondContact O-N 3.03Å
25K94.7Very high91.8Very high142 Ų142107.8 Ų107.862%0.61752%0.521SS*.Hα-helixtrans-62-35.5177.1-172.8175-176.4174.60112.6H21 R22 Y23 K29H21-K25 WeakPolarHBondContact O-CB 3.44Å; H21-K25 PolarHBondContact O-N 3.03Å; R22-K25 PolarHBondContact O-N 3.48Å; Y23-K25 PolarHBondContact O-N 3.34Å; K25-K29 PolarHBondContact O-N 3.29Å; K25-K29 VanDerWaalsContact O-N 3.17Å
26S90.8Very high92.1Very high68 Ų68106.5 Ų106.548%0.47652%0.515SS..Hα-helixtrans-66.1-41.2173.5-170.80000111.5R22 Y23 Q24 K29 V30R22-S26 PolarHBondContact O-N 3.23Å; Y23-S26 WeakPolarHBondContact O-CB 3.42Å; Y23-S26 PolarHBondContact O-N 3.19Å; Y23-S26 VanDerWaalsContact O-N 3.12Å; Q24-S26 VanDerWaalsContact C-N 3.27Å; Q24-S26 PolarHBondContact O-N 3.23Å; S26-K29 PolarHBondContact O-N 3.28Å; S26-V30 WeakPolarHBondContact O-CG2 3.33Å; S26-V30 PolarHBondContact O-N 3.28Å
27L91.6Very high92.3Very high74 Ų74100.5 Ų100.539%0.38749%0.485SS..Hα-helixtrans-64.5-47.9177.9-173.266.7000111.2Y23 Q24 K29 V30 E31Y23-L27 PolarHBondContact O-N 3.33Å; Q24-L27 WeakPolarHBondContact O-CB 3.4Å; Q24-L27 PolarHBondContact O-N 3.29Å; Q24-L27 VanDerWaalsContact O-N 3.07Å; L27-K29 PolarHBondContact O-N 3.22Å; L27-V30 PolarHBondContact O-N 3.4Å; L27-E31 HydrophobicContact CG-CG 4.49Å; L27-E31 WeakPolarHBondContact O-CG 3.35Å; L27-E31 PolarHBondContact O-N 2.62Å
28E93.2Very high92.4Very high101 Ų10194.6 Ų94.647%0.47246%0.462SS..Hα-helixtrans-57.1-37.5175.9-71169.4-174.900111.9Q24 S32Q24-E28 WeakPolarHBondContact CG-OE1 3.41Å; Q24-E28 PolarHBondContact NE2-OE1 2.93Å; Q24-E28 WeakPolarHBondContact O-CG 3.17Å; Q24-E28 PolarHBondContact O-N 3.03Å; E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3.01Å; E28-S32 PolarHBondContact O-OG 3.22Å
29K90.2Very high92.5Very high160 Ų16096.4 Ų96.470%0.69647%0.469SS*.Hα-helixtrans-67.1-40.9174.8-172.8-177.4176.2-171.80112.4K25 S26 L27 S32 L33K25-K29 PolarHBondContact O-N 3.29Å; K25-K29 VanDerWaalsContact O-N 3.17Å; S26-K29 PolarHBondContact O-N 3.28Å; L27-K29 PolarHBondContact O-N 3.22Å; K29-S32 WeakPolarHBondContact CA-OG 3.29Å; K29-S32 PolarHBondContact O-OG 3.15Å; K29-L33 WeakPolarHBondContact O-CB 3.26Å; K29-L33 PolarHBondContact O-N 3.48Å
30V87.3Confident92.7Very high62 Ų6295.5 Ų95.538%0.37646%0.459SS..Hα-helixtrans-68.4-41.4177.1171.40000110.6S26 L27 L33 R34S26-V30 WeakPolarHBondContact O-CG2 3.33Å; S26-V30 PolarHBondContact O-N 3.28Å; L27-V30 PolarHBondContact O-N 3.4Å; V30-L33 PolarHBondContact O-N 3.41Å; V30-R34 WeakPolarHBondContact O-CG 3.43Å; V30-R34 PolarHBondContact O-N 3.5Å
31E90.2Very high92.7Very high104 Ų10489.5 Ų89.549%0.48643%0.433SS..Hα-helixtrans-62.9-48.8176.9-72.5179.9158.900111.5L27 L33 R34 D35L27-E31 HydrophobicContact CG-CG 4.49Å; L27-E31 WeakPolarHBondContact O-CG 3.35Å; L27-E31 PolarHBondContact O-N 2.62Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.36Å; E31-R34 WeakPolarHBondContact O-CB 3.33Å; E31-R34 PolarHBondContact O-N 2.99Å; E31-R34 VanDerWaalsContact O-N 3.11Å; E31-D35 PolarHBondContact O-N 3.43Å
32S92Very high92.8Very high68 Ų6890 Ų9048%0.47643%0.43SS..Hα-helixtrans-61.4-36.5175.952.70000113.2E28 K29 D35 S36E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3.01Å; E28-S32 PolarHBondContact O-OG 3.22Å; K29-S32 WeakPolarHBondContact CA-OG 3.29Å; K29-S32 PolarHBondContact O-OG 3.15Å; S32-D35 PolarHBondContact O-N 3.29Å; S32-S36 PolarHBondContact O-N 3.45Å
33L91.6Very high93Very high38 Ų3887 Ų8720%0.19942%0.419CS..Hα-helixtrans-63.4-45.7172.4179.163.8000111.5K29 V30 E31 D35 S36 V37 N91 D96K29-L33 WeakPolarHBondContact O-CB 3.26Å; K29-L33 PolarHBondContact O-N 3.48Å; V30-L33 PolarHBondContact O-N 3.41Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.36Å; L33-D35 VanDerWaalsContact C-N 3.31Å; L33-D35 PolarHBondContact O-N 2.88Å; L33-S36 PolarHBondContact O-N 3.31Å; L33-V37 HydrophobicContact CD1-CG2 4.4Å; L33-V37 WeakPolarHBondContact O-CB 3.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.26Å; L33-V37 PolarHBondContact O-N 3.37Å; L33-N91 WeakPolarHBondContact CD1-O 3.46Å; L33-D96 HydrophobicContact CD2-CB 3.97Å
34R90.5Very high93.1Very high150 Ų15080 Ų8057%0.56639%0.392SS*.Hα-helixtrans-61.6-39.6177.7-75.6-175.168.5-170.90.3112.1V30 E31 V37 A38 I97V30-R34 WeakPolarHBondContact O-CG 3.43Å; V30-R34 PolarHBondContact O-N 3.5Å; E31-R34 WeakPolarHBondContact O-CB 3.33Å; E31-R34 PolarHBondContact O-N 2.99Å; E31-R34 VanDerWaalsContact O-N 3.11Å; R34-V37 PolarHBondContact O-N 3.18Å; R34-A38 VanDerWaalsContact O-CB 3.32Å; R34-A38 WeakPolarHBondContact O-CB 3.31Å; R34-A38 PolarHBondContact O-N 2.69Å; R34-I97 HydrophobicContact CG-CD1 4.16Å; R34-I97 HydrophobicContact CG-CG1 4.26Å
35D92.6Very high93.2Very high108 Ų10878.2 Ų78.258%0.57838%0.384SS*.Hα-helixtrans-66.1-44176.7-76-16.7000111.8E31 S32 L33 A38 M39E31-D35 PolarHBondContact O-N 3.43Å; S32-D35 PolarHBondContact O-N 3.29Å; L33-D35 VanDerWaalsContact C-N 3.31Å; L33-D35 PolarHBondContact O-N 2.88Å; D35-A38 PolarHBondContact O-N 3.43Å; D35-M39 WeakPolarHBondContact O-CG 3.47Å; D35-M39 PolarHBondContact O-N 3.22Å
36S93.4Very high93.3Very high48 Ų4879.7 Ų79.734%0.33639%0.385SS..Hα-helixtrans-59.7-48.5175-171.60000111.4S32 L33 A38 M39 D40S32-S36 PolarHBondContact O-N 3.45Å; L33-S36 PolarHBondContact O-N 3.31Å; S36-A38 VanDerWaalsContact C-N 3.31Å; S36-A38 PolarHBondContact O-N 3.5Å; S36-M39 WeakPolarHBondContact O-CB 3.44Å; S36-M39 PolarHBondContact O-N 2.89Å; S36-M39 VanDerWaalsContact O-N 3.14Å; S36-D40 PolarHBondContact O-N 2.83Å
37V93.8Very high93.5Very high2 Ų276.9 Ų76.91%0.01237%0.365CS..Hα-helixtrans-57.4-45.1175.51590000111.3L33 R34 M39 D40 L41 L88 V92 I97 F100 M103L33-V37 HydrophobicContact CD1-CG2 4.4Å; L33-V37 WeakPolarHBondContact O-CB 3.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.26Å; L33-V37 PolarHBondContact O-N 3.37Å; R34-V37 PolarHBondContact O-N 3.18Å; V37-M39 VanDerWaalsContact C-N 3.26Å; V37-M39 PolarHBondContact O-N 3.19Å; V37-D40 PolarHBondContact O-N 3.18Å; V37-L41 HydrophobicContact CG1-CD1 3.86Å; V37-L41 HydrophobicContact CG1-CG 4.22Å; V37-L41 WeakPolarHBondContact O-CB 3.42Å; V37-L41 WeakPolarHBondContact O-CG 3.34Å; V37-L41 PolarHBondContact O-N 2.99Å; V37-L88 HydrophobicContact CG2-CD2 4.44Å; V37-V92 HydrophobicContact CG2-CG2 3.3Å; V37-I97 HydrophobicContact CB-CD1 4.31Å; V37-I97 HydrophobicContact CG1-CD1 4.24Å; V37-I97 HydrophobicContact CG2-CD1 3.94Å; V37-F100 HydrophobicContact CG1-CD2 4.29Å; V37-F100 HydrophobicContact CG1-CE2 3.57Å; V37-F100 HydrophobicContact CG2-CE2 4.25Å; V37-M103 HydrophobicContact CG1-CE 4.33Å
38A93.4Very high93.8Very high31 Ų3174.5 Ų74.526%0.25635%0.352SS..Hα-helixtrans-64.5-33179.900000111.9R34 D35 S36 R42R34-A38 VanDerWaalsContact O-CB 3.32Å; R34-A38 WeakPolarHBondContact O-CB 3.31Å; R34-A38 PolarHBondContact O-N 2.69Å; D35-A38 PolarHBondContact O-N 3.43Å; S36-A38 VanDerWaalsContact C-N 3.31Å; S36-A38 PolarHBondContact O-N 3.5Å; A38-R42 WeakPolarHBondContact O-CB 3.36Å; A38-R42 VanDerWaalsContact O-CG 3.31Å; A38-R42 WeakPolarHBondContact O-CG 3.3Å; A38-R42 PolarHBondContact O-N 3.09Å; A38-R42 VanDerWaalsContact O-N 3.11Å; A38-R42 PolarHBondContact O-NH1 3.41Å
39M95.5Very high93.9Very high122 Ų12276.2 Ų76.260%0.60135%0.354SS*.Hα-helixtrans-65.7-46.1172.5-71.6-178.465.600111.9D35 S36 V37 R42 R43D35-M39 WeakPolarHBondContact O-CG 3.47Å; D35-M39 PolarHBondContact O-N 3.22Å; S36-M39 WeakPolarHBondContact O-CB 3.44Å; S36-M39 PolarHBondContact O-N 2.89Å; S36-M39 VanDerWaalsContact O-N 3.14Å; V37-M39 VanDerWaalsContact C-N 3.26Å; V37-M39 PolarHBondContact O-N 3.19Å; M39-R42 VanDerWaalsContact CG-NH2 3.26Å; M39-R42 PolarHBondContact O-N 3.24Å; M39-R43 PolarHBondContact O-N 2.9Å
40D95.3Very high94.2Very high24 Ų2471.8 Ų71.813%0.12834%0.341CS..Hα-helixtrans-65.3-41.7179.1-72.5-29.8000111.8S36 V37 R43 L44 I84 L88S36-D40 PolarHBondContact O-N 2.83Å; V37-D40 PolarHBondContact O-N 3.18Å; D40-R43 WeakPolarHBondContact O-CB 3.45Å; D40-R43 PolarHBondContact O-N 3.35Å; D40-R43 VanDerWaalsContact O-N 3.17Å; D40-L44 PolarHBondContact O-N 3.16Å; D40-I84 HydrophobicContact CB-CG2 4.28Å; D40-I84 WeakPolarHBondContact O-CG2 3.31Å; D40-L88 HydrophobicContact CB-CD1 4.47Å; D40-L88 HydrophobicContact CB-CD2 3.5Å; D40-L88 HydrophobicContact CB-CG 3.91Å
41L95.4Very high94.7Very high17 Ų1768.8 Ų68.89%0.08932%0.323CS..Hα-helixtrans-63.7-41.1175.6-70.1179.8000112.6V37 R43 L44 E45 L88 M103V37-L41 HydrophobicContact CG1-CD1 3.86Å; V37-L41 HydrophobicContact CG1-CG 4.22Å; V37-L41 WeakPolarHBondContact O-CB 3.42Å; V37-L41 WeakPolarHBondContact O-CG 3.34Å; V37-L41 PolarHBondContact O-N 2.99Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 3.31Å; L41-L44 WeakPolarHBondContact O-CB 3.23Å; L41-L44 PolarHBondContact O-N 2.8Å; L41-E45 WeakPolarHBondContact O-CB 3.35Å; L41-E45 PolarHBondContact O-N 3.41Å; L41-L88 HydrophobicContact CD2-CD1 3.92Å; L41-M103 HydrophobicContact CD1-CB 3.7Å; L41-M103 HydrophobicContact CD1-SD 4.42Å
42R96.2Very high94.9Very high139 Ų13965.9 Ų65.953%0.52531%0.31SS..Hα-helixtrans-63.3-34173.7-77.7-172-63.2-91.15.3112.4A38 M39 R46A38-R42 WeakPolarHBondContact O-CB 3.36Å; A38-R42 VanDerWaalsContact O-CG 3.31Å; A38-R42 WeakPolarHBondContact O-CG 3.3Å; A38-R42 PolarHBondContact O-N 3.09Å; A38-R42 VanDerWaalsContact O-N 3.11Å; A38-R42 PolarHBondContact O-NH1 3.41Å; M39-R42 VanDerWaalsContact CG-NH2 3.26Å; M39-R42 PolarHBondContact O-N 3.24Å; R42-R46 PolarHBondContact O-N 3.3Å
43R96.3Very high95Very high101 Ų10164.4 Ų64.438%0.38131%0.306SS..Hα-helixtrans-68.3-44174.4-166.7-175.1165.6-169.4-3.8110.3M39 D40 L41 E45 R46 C47 E80 I84M39-R43 PolarHBondContact O-N 2.9Å; D40-R43 WeakPolarHBondContact O-CB 3.45Å; D40-R43 PolarHBondContact O-N 3.35Å; D40-R43 VanDerWaalsContact O-N 3.17Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 3.31Å; R43-E45 PolarHBondContact O-N 2.86Å; R43-R46 WeakPolarHBondContact O-CB 3.46Å; R43-R46 PolarHBondContact O-N 3.02Å; R43-R46 VanDerWaalsContact O-N 3.13Å; R43-C47 PolarHBondContact O-N 2.84Å; R43-C47 PolarHBondContact O-SG 3.29Å; R43-E80 IonicContact CZ-OE1 2.72Å; R43-E80 VanDerWaalsContact CZ-OE1 3.26Å; R43-E80 IonicContact NE-OE1 3.71Å; R43-E80 PolarHBondContact NE-OE1 3.44Å; R43-E80 IonicContact NH2-OE1 2.6Å; R43-E80 PolarHBondContact NH2-OE1 3.25Å; R43-I84 HydrophobicContact CB-CD1 4.04Å; R43-I84 HydrophobicContact CG-CD1 3.6Å; R43-I84 HydrophobicContact CG-CG1 4.31Å
44L96.1Very high95.1Very high12 Ų1265.1 Ų65.16%0.06331%0.308CS..Hα-helixtrans-59.4-45.9176.1-170.363.6000112D40 L41 R46 C47 E48 V81 I84 I107 L111D40-L44 PolarHBondContact O-N 3.16Å; L41-L44 WeakPolarHBondContact O-CB 3.23Å; L41-L44 PolarHBondContact O-N 2.8Å; L44-R46 VanDerWaalsContact C-N 3.25Å; L44-R46 PolarHBondContact O-N 3.09Å; L44-C47 WeakPolarHBondContact O-CB 3.41Å; L44-C47 PolarHBondContact O-N 3.35Å; L44-C47 VanDerWaalsContact O-N 3.15Å; L44-E48 PolarHBondContact O-N 3.23Å; L44-V81 HydrophobicContact CD1-CB 4.43Å; L44-V81 HydrophobicContact CD1-CG1 3.96Å; L44-V81 HydrophobicContact CD1-CG2 4.42Å; L44-I84 HydrophobicContact CB-CG2 4Å; L44-I84 HydrophobicContact CD1-CB 4.37Å; L44-I84 HydrophobicContact CD1-CG2 4.28Å; L44-I107 HydrophobicContact CD2-CG2 4.1Å; L44-I107 HydrophobicContact CG-CG2 3.86Å; L44-L111 HydrophobicContact CD1-CD1 4.01Å; L44-L111 HydrophobicContact CG-CD1 4.37Å
45E96.3Very high95.2Very high72 Ų7258 Ų5834%0.33628%0.281SS..Hα-helixtrans-61.6-31.8175.9-166-160.3147.300112.4L41 R43 R49 I107L41-E45 WeakPolarHBondContact O-CB 3.35Å; L41-E45 PolarHBondContact O-N 3.41Å; R43-E45 PolarHBondContact O-N 2.86Å; E45-R49 WeakPolarHBondContact O-CG 3.42Å; E45-R49 PolarHBondContact O-N 3Å; E45-R49 VanDerWaalsContact O-N 3.12Å; E45-R49 PolarHBondContact O-NE 3.19Å; E45-R49 IonicContact OE1-CZ 3.26Å; E45-R49 IonicContact OE1-NE 2.78Å; E45-R49 IonicContact OE1-NH1 3.03Å; E45-R49 PolarHBondContact OE1-NH1 3.11Å; E45-R49 IonicContact OE1-NH2 3.73Å; E45-R49 PolarHBondContact OE1-NH2 3.39Å; E45-R49 IonicContact OE2-NH2 2.85Å; E45-I107 HydrophobicContact CB-CD1 3.89Å; E45-I107 HydrophobicContact CG-CD1 4.26Å
46R96.9Very high95.1Very high173 Ų17356.5 Ų56.565%0.65327%0.27SS*.Hα-helixtrans-71.2-43174.2-172.6-177.3-59.2-172.80.8111.2R42 R43 L44 T50R42-R46 PolarHBondContact O-N 3.3Å; R43-R46 WeakPolarHBondContact O-CB 3.46Å; R43-R46 PolarHBondContact O-N 3.02Å; R43-R46 VanDerWaalsContact O-N 3.13Å; L44-R46 VanDerWaalsContact C-N 3.25Å; L44-R46 PolarHBondContact O-N 3.09Å; R46-T50 WeakPolarHBondContact O-CB 3.49Å; R46-T50 PolarHBondContact O-N 3.21Å; R46-T50 PolarHBondContact O-OG1 3.09Å
47C96.2Very high94.9Very high8 Ų856 Ų565%0.05427%0.267CS..Hα-helixtrans-59.9-49.3176-61.80000110.4R43 L44 R49 T50 I51 E80 V81R43-C47 PolarHBondContact O-N 2.84Å; R43-C47 PolarHBondContact O-SG 3.29Å; L44-C47 WeakPolarHBondContact O-CB 3.41Å; L44-C47 PolarHBondContact O-N 3.35Å; L44-C47 VanDerWaalsContact O-N 3.15Å; C47-R49 PolarHBondContact O-N 3.24Å; C47-T50 PolarHBondContact O-N 3.43Å; C47-T50 VanDerWaalsContact O-N 3.13Å; C47-I51 WeakPolarHBondContact O-CG1 3.44Å; C47-I51 PolarHBondContact O-N 3.46Å; C47-E80 PolarHBondContact SG-OE2 3.35Å; C47-V81 HydrophobicContact CB-CG2 3.93Å
48E96.5Very high94.7Very high24 Ų2456.1 Ų56.111%0.11227%0.267CS..Hα-helixtrans-54.2-54.8176.7178.8-80.5151.500111.5L44 T50 I51 N52 I107 S110 L111L44-E48 PolarHBondContact O-N 3.23Å; E48-T50 PolarHBondContact O-N 2.95Å; E48-T50 VanDerWaalsContact O-N 3.15Å; E48-I51 PolarHBondContact O-N 2.94Å; E48-I51 VanDerWaalsContact O-N 3.13Å; E48-N52 WeakPolarHBondContact O-CB 3.32Å; E48-N52 PolarHBondContact O-N 2.85Å; E48-I107 HydrophobicContact CB-CG2 3.82Å; E48-I107 HydrophobicContact CG-CG2 4.05Å; E48-S110 VanDerWaalsContact OE1-CB 3.25Å; E48-S110 WeakPolarHBondContact OE1-CB 3.49Å; E48-S110 PolarHBondContact OE1-OG 3.38Å; E48-L111 HydrophobicContact CB-CD2 3.89Å; E48-L111 HydrophobicContact CB-CG 4.11Å; E48-L111 HydrophobicContact CG-CD2 4.15Å; E48-L111 HydrophobicContact CG-CG 4.09Å
49R96.5Very high94.3Very high138 Ų13856.1 Ų56.152%0.52126%0.262SS..Hα-helixtrans-58.3-33.8178.2-77.8-173.5-74.6-156.8-14.3113.6E45 C47 G53E45-R49 WeakPolarHBondContact O-CG 3.42Å; E45-R49 PolarHBondContact O-N 3Å; E45-R49 VanDerWaalsContact O-N 3.12Å; E45-R49 PolarHBondContact O-NE 3.19Å; E45-R49 IonicContact OE1-CZ 3.26Å; E45-R49 IonicContact OE1-NE 2.78Å; E45-R49 IonicContact OE1-NH1 3.03Å; E45-R49 PolarHBondContact OE1-NH1 3.11Å; E45-R49 IonicContact OE1-NH2 3.73Å; E45-R49 PolarHBondContact OE1-NH2 3.39Å; E45-R49 IonicContact OE2-NH2 2.85Å; C47-R49 PolarHBondContact O-N 3.24Å; R49-G53 PolarHBondContact O-N 3.36Å
50T96.7Very high93.8Very high66 Ų6655.2 Ų55.241%0.40526%0.259SS..Hα-helixtrans-74.1-41.6179.8-47.80000111.1R46 C47 E48 K54 M77R46-T50 WeakPolarHBondContact O-CB 3.49Å; R46-T50 PolarHBondContact O-N 3.21Å; R46-T50 PolarHBondContact O-OG1 3.09Å; C47-T50 PolarHBondContact O-N 3.43Å; C47-T50 VanDerWaalsContact O-N 3.13Å; E48-T50 PolarHBondContact O-N 2.95Å; E48-T50 VanDerWaalsContact O-N 3.15Å; T50-K54 WeakPolarHBondContact O-CB 3.44Å; T50-K54 PolarHBondContact O-N 3.28Å; T50-M77 HydrophobicContact CG2-CE 3.2Å; T50-M77 HydrophobicContact CG2-SD 4.21Å
51I96.7Very high93.1Very high0 Ų060.1 Ų60.10%029%0.292CS..Hα-helixtrans-61.3-52173.7-68.3164.8000109.6C47 E48 G53 K54 L55 A74 M77 F78 V81 L111 D114C47-I51 WeakPolarHBondContact O-CG1 3.44Å; C47-I51 PolarHBondContact O-N 3.46Å; E48-I51 PolarHBondContact O-N 2.94Å; E48-I51 VanDerWaalsContact O-N 3.13Å; I51-G53 PolarHBondContact O-N 3.43Å; I51-K54 WeakPolarHBondContact O-CA 3.4Å; I51-K54 WeakPolarHBondContact O-CB 3.32Å; I51-K54 PolarHBondContact O-N 3.17Å; I51-K54 VanDerWaalsContact O-N 3.08Å; I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 PolarHBondContact O-N 2.99Å; I51-A74 HydrophobicContact CG2-CB 4.38Å; I51-M77 HydrophobicContact CD1-CB 4.11Å; I51-M77 HydrophobicContact CG1-CB 3.63Å; I51-M77 HydrophobicContact CG1-SD 4.33Å; I51-F78 HydrophobicContact CD1-CD1 4.31Å; I51-F78 HydrophobicContact CD1-CD2 4.18Å; I51-F78 HydrophobicContact CD1-CE1 4.22Å; I51-F78 HydrophobicContact CD1-CE2 4.07Å; I51-F78 HydrophobicContact CD1-CG 4.31Å; I51-F78 HydrophobicContact CD1-CZ 4.11Å; I51-F78 HydrophobicContact CG2-CE2 3.8Å; I51-F78 HydrophobicContact CG2-CZ 3.98Å; I51-V81 HydrophobicContact CD1-CG2 3.81Å; I51-L111 HydrophobicContact CD1-CD2 3.9Å; I51-D114 HydrophobicContact CG2-CB 3.8Å; I51-D114 WeakPolarHBondContact CG2-OD2 3.45Å
52N94.2Very high92.5Very high42 Ų4263.7 Ų63.723%0.22531%0.311CS..Hα-helixtrans-57.9-50.5179.3-173.2-90.4000111E48 K54 L55 Q56 D114E48-N52 WeakPolarHBondContact O-CB 3.32Å; E48-N52 PolarHBondContact O-N 2.85Å; N52-K54 PolarHBondContact O-N 3.47Å; N52-L55 PolarHBondContact O-N 2.97Å; N52-Q56 WeakPolarHBondContact O-CG 3.47Å; N52-Q56 PolarHBondContact O-N 3.18Å; N52-D114 PolarHBondContact ND2-OD1 2.88Å
53G94.2Very high91.8Very high38 Ų3857.1 Ų57.139%0.39229%0.287SS..Hα-helixtrans-58.1-34.3176.600000113.3R49 I51R49-G53 PolarHBondContact O-N 3.36Å; I51-G53 PolarHBondContact O-N 3.43Å
54K94.2Very high91.1Very high52 Ų5254.6 Ų54.623%0.22628%0.28CS..Hα-helixtrans-67.6-44173.6-174.267.9-159.9-175.20111.4T50 I51 N52 Q56 C57 I70 E73 A74T50-K54 WeakPolarHBondContact O-CB 3.44Å; T50-K54 PolarHBondContact O-N 3.28Å; I51-K54 WeakPolarHBondContact O-CA 3.4Å; I51-K54 WeakPolarHBondContact O-CB 3.32Å; I51-K54 PolarHBondContact O-N 3.17Å; I51-K54 VanDerWaalsContact O-N 3.08Å; N52-K54 PolarHBondContact O-N 3.47Å; K54-Q56 VanDerWaalsContact C-N 3.32Å; K54-Q56 PolarHBondContact O-N 3.27Å; K54-C57 WeakPolarHBondContact O-CB 3.2Å; K54-C57 PolarHBondContact O-N 3.33Å; K54-C57 VanDerWaalsContact O-N 3.17Å; K54-I70 HydrophobicContact CG-CG2 4.32Å; K54-I70 WeakPolarHBondContact O-CG2 3.32Å; K54-E73 HydrophobicContact CD-CB 4.4Å; K54-E73 WeakPolarHBondContact CE-OE2 3.39Å; K54-E73 HydrophobicContact CG-CB 4.44Å; K54-E73 IonicContact NZ-OE1 3.83Å; K54-E73 IonicContact NZ-OE2 3.43Å; K54-E73 PolarHBondContact NZ-OE2 3Å; K54-A74 HydrophobicContact CB-CB 4.41Å; K54-A74 HydrophobicContact CG-CB 4.13Å
55L92.4Very high90.6Very high1 Ų160.7 Ų60.71%0.00531%0.313CS..Hα-helixtrans-67.3-31.8178.6-68.9172.1000112.7I51 N52 C57 I58 A74 D114 L117 I118I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 PolarHBondContact O-N 2.99Å; N52-L55 PolarHBondContact O-N 2.97Å; L55-C57 PolarHBondContact O-N 3.22Å; L55-C57 VanDerWaalsContact O-N 3.08Å; L55-I58 HydrophobicContact CD2-CD1 4.14Å; L55-I58 VanDerWaalsContact O-CB 3.31Å; L55-I58 WeakPolarHBondContact O-CB 3.19Å; L55-I58 WeakPolarHBondContact O-CD1 3.36Å; L55-I58 WeakPolarHBondContact O-CG1 3.4Å; L55-I58 PolarHBondContact O-N 3.01Å; L55-A74 HydrophobicContact CD2-CB 3.77Å; L55-A74 HydrophobicContact CG-CB 3.94Å; L55-D114 HydrophobicContact CD1-CB 3.55Å; L55-D114 WeakPolarHBondContact CD1-OD1 3.43Å; L55-L117 HydrophobicContact CB-CD2 4.41Å; L55-L117 HydrophobicContact CD1-CD2 4.37Å; L55-I118 HydrophobicContact CD1-CD1 4.23Å; L55-I118 HydrophobicContact CD1-CG1 4.16Å; L55-I118 HydrophobicContact CD2-CD1 4.2Å; L55-I118 HydrophobicContact CD2-CG1 3.65Å
56Q90.2Very high90.3Very high76 Ų7662.2 Ų62.236%0.35532%0.319SS..G310 helixtrans-60.4-19.6173.4-67.9-54.3-4300113.2N52 K54 I58 H59 E163N52-Q56 WeakPolarHBondContact O-CG 3.47Å; N52-Q56 PolarHBondContact O-N 3.18Å; K54-Q56 VanDerWaalsContact C-N 3.32Å; K54-Q56 PolarHBondContact O-N 3.27Å; Q56-I58 PolarHBondContact O-N 2.9Å; Q56-I58 VanDerWaalsContact O-N 3.16Å; Q56-H59 PolarHBondContact O-N 3.08Å; Q56-H59 PolarHBondContact OE1-CD2 3.04Å; Q56-H59 VanDerWaalsContact OE1-CD2 3.27Å; Q56-E163 PolarHBondContact NE2-OE1 3.17Å
57C90.4Very high89.9Confident39 Ų3955 Ų5526%0.26429%0.293SS..G310 helixtrans-64.5-15.1173.3-65.40000113.5K54 L55 H59 L60 G63 I70K54-C57 WeakPolarHBondContact O-CB 3.2Å; K54-C57 PolarHBondContact O-N 3.33Å; K54-C57 VanDerWaalsContact O-N 3.17Å; L55-C57 PolarHBondContact O-N 3.22Å; L55-C57 VanDerWaalsContact O-N 3.08Å; C57-H59 PolarHBondContact O-N 3.17Å; C57-L60 HydrophobicContact CB-CD1 4.08Å; C57-L60 WeakPolarHBondContact O-CB 3.41Å; C57-L60 PolarHBondContact O-N 3.48Å; C57-G63 VanDerWaalsContact O-CA 3.31Å; C57-G63 WeakPolarHBondContact O-CA 3.48Å; C57-I70 HydrophobicContact CB-CD1 3.84Å; C57-I70 HydrophobicContact CB-CG1 4.27Å; C57-I70 HydrophobicContact CB-CG2 4.48Å
58I88.2Confident89.6Confident4 Ų460.3 Ų60.32%0.02132%0.321CS..G310 helixtrans-63.1-28.9175.7-65169.3000111.2L55 Q56 L60 L64 L67 I70L55-I58 HydrophobicContact CD2-CD1 4.14Å; L55-I58 VanDerWaalsContact O-CB 3.31Å; L55-I58 WeakPolarHBondContact O-CB 3.19Å; L55-I58 WeakPolarHBondContact O-CD1 3.36Å; L55-I58 WeakPolarHBondContact O-CG1 3.4Å; L55-I58 PolarHBondContact O-N 3.01Å; Q56-I58 PolarHBondContact O-N 2.9Å; Q56-I58 VanDerWaalsContact O-N 3.16Å; I58-L60 VanDerWaalsContact C-N 3.32Å; I58-L64 HydrophobicContact CG2-CD2 4.28Å; I58-L67 HydrophobicContact CB-CD1 4.44Å; I58-L67 HydrophobicContact CD1-CD1 3.58Å; I58-L67 HydrophobicContact CG1-CD1 3.71Å; I58-L67 HydrophobicContact CG2-CD1 3.86Å; I58-I70 HydrophobicContact CD1-CG2 4.32Å; I58-I70 HydrophobicContact CG1-CB 4.42Å; I58-I70 HydrophobicContact CG1-CD1 4.24Å; I58-I70 HydrophobicContact CG1-CG2 3.84Å
59H84.8Confident89.5Confident31 Ų3164.4 Ų64.414%0.14434%0.34CS..G310 helixtrans-83-5.4179.8-56.9-60000114.1Q56 C57 E163 Y170Q56-H59 PolarHBondContact O-N 3.08Å; Q56-H59 PolarHBondContact OE1-CD2 3.04Å; Q56-H59 VanDerWaalsContact OE1-CD2 3.27Å; C57-H59 PolarHBondContact O-N 3.17Å; H59-E163 IonicContact CD2-OE1 3.25Å; H59-E163 IonicContact CE1-OE1 3.13Å; H59-E163 PolarHBondContact CE1-OE1 2.99Å; H59-E163 IonicContact NE2-OE1 3.84Å; H59-E163 PolarHBondContact NE2-OE1 2.96Å; H59-E163 IonicContact NE2-OE2 2.57Å; H59-Y170 HydrophobicContact CB-CD2 4.41Å; H59-Y170 HydrophobicContact CB-CE2 3.93Å; H59-Y170 AromaticContact CG-CE2 3.99Å; H59-Y170 AromaticContact ND1-CD2 3.57Å; H59-Y170 AromaticContact ND1-CE2 3.45Å; H59-Y170 WeakPolarHBondContact ND1-CE2 3.16Å
60L85.6Confident89.3Confident103 Ų10358.2 Ų58.254%0.53932%0.317SS..SBendtrans-71157.1174-61.9176000110.2C57 I58 D62 G63C57-L60 HydrophobicContact CB-CD1 4.08Å; C57-L60 WeakPolarHBondContact O-CB 3.41Å; C57-L60 PolarHBondContact O-N 3.48Å; I58-L60 VanDerWaalsContact C-N 3.32Å; L60-D62 PolarHBondContact O-N 2.62Å; L60-D62 VanDerWaalsContact O-N 3.09Å; L60-G63 WeakPolarHBondContact O-CA 3.17Å; L60-G63 PolarHBondContact O-N 3.13Å
61P80.8Confident89.2Confident126 Ų12655 Ų5582%0.81830%0.298SS*.THydrogen-bonded Turntrans-52.5-36.7-176.1-29.435.8000114.9
62D82.5Confident89.1Confident92 Ų9256.7 Ų56.749%0.49232%0.315SS..THydrogen-bonded Turntrans-96.42.4176-74-27.8000113.9L60 L64 N65 K66L60-D62 PolarHBondContact O-N 2.62Å; L60-D62 VanDerWaalsContact O-N 3.09Å; D62-L64 VanDerWaalsContact C-N 3.29Å; D62-L64 PolarHBondContact O-N 3.03Å; D62-N65 PolarHBondContact O-N 3.18Å; D62-N65 VanDerWaalsContact O-N 3.15Å; D62-K66 PolarHBondContact O-N 3.21Å; D62-K66 VanDerWaalsContact O-N 3.11Å
63G82.7Confident89.1Confident2 Ų258.1 Ų58.12%0.02132%0.32CS..THydrogen-bonded Turntrans-59.6-39.5-171.900000112.5C57 L60 K66 L67C57-G63 VanDerWaalsContact O-CA 3.31Å; C57-G63 WeakPolarHBondContact O-CA 3.48Å; L60-G63 WeakPolarHBondContact O-CA 3.17Å; L60-G63 PolarHBondContact O-N 3.13Å; G63-K66 CarbonylContact O-C 3.3Å; G63-K66 VanDerWaalsContact O-C 3.3Å; G63-K66 PolarHBondContact O-N 3.37Å; G63-L67 WeakPolarHBondContact O-CA 3.16Å; G63-L67 PolarHBondContact O-N 2.91Å
64L81.2Confident89.2Confident47 Ų4756.3 Ų56.325%0.24630%0.301CS..THydrogen-bonded Turntrans-66.8-38.1177.3-67.3175.2000113.1I58 D62 K66 L67 R171I58-L64 HydrophobicContact CG2-CD2 4.28Å; D62-L64 VanDerWaalsContact C-N 3.29Å; D62-L64 PolarHBondContact O-N 3.03Å; L64-K66 PolarHBondContact O-N 3.12Å; L64-L67 VanDerWaalsContact O-CB 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.45Å; L64-L67 PolarHBondContact O-N 3.15Å; L64-R171 HydrophobicContact CD1-CB 3.66Å; L64-R171 HydrophobicContact CD1-CG 4.19Å
65N85.3Confident89.2Confident140 Ų14056.7 Ų56.775%0.74930%0.304SS*.THydrogen-bonded Turntrans-67.4-29.3175.1-69.3-33.8000111.5D62D62-N65 PolarHBondContact O-N 3.18Å; D62-N65 VanDerWaalsContact O-N 3.15Å
66K89.1Confident89.3Confident104 Ų10460 Ų6045%0.45233%0.327SS..THydrogen-bonded Turntrans-97.511.6178-63.2176.6-175.3167.60113.1D62 G63 L64 N68 Q69 I70D62-K66 PolarHBondContact O-N 3.21Å; D62-K66 VanDerWaalsContact O-N 3.11Å; G63-K66 CarbonylContact O-C 3.3Å; G63-K66 VanDerWaalsContact O-C 3.3Å; G63-K66 PolarHBondContact O-N 3.37Å; L64-K66 PolarHBondContact O-N 3.12Å; K66-N68 VanDerWaalsContact C-N 3.33Å; K66-N68 PolarHBondContact O-N 3.07Å; K66-Q69 WeakPolarHBondContact O-CA 3.31Å; K66-Q69 WeakPolarHBondContact O-CB 3.33Å; K66-Q69 PolarHBondContact O-N 3.15Å; K66-I70 HydrophobicContact CB-CD1 4.02Å; K66-I70 HydrophobicContact CB-CG1 4.27Å; K66-I70 WeakPolarHBondContact O-CG1 3.46Å; K66-I70 PolarHBondContact O-N 3.41Å
67L89.4Confident89.6Confident21 Ų2159.5 Ų59.511%0.1133%0.325CS..Hα-helixtrans-54.4-47.6-171.6-178.966.6000112.5I58 G63 L64 Q69 I70 C71 C121I58-L67 HydrophobicContact CB-CD1 4.44Å; I58-L67 HydrophobicContact CD1-CD1 3.58Å; I58-L67 HydrophobicContact CG1-CD1 3.71Å; I58-L67 HydrophobicContact CG2-CD1 3.86Å; G63-L67 WeakPolarHBondContact O-CA 3.16Å; G63-L67 PolarHBondContact O-N 2.91Å; L64-L67 VanDerWaalsContact O-CB 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.45Å; L64-L67 PolarHBondContact O-N 3.15Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.35Å; L67-I70 PolarHBondContact O-N 3.39Å; L67-C71 VanDerWaalsContact O-CB 3.32Å; L67-C71 WeakPolarHBondContact O-CB 3.31Å; L67-C71 PolarHBondContact O-N 3.28Å; L67-C71 PolarHBondContact O-SG 2.98Å; L67-C121 HydrophobicContact CD1-CB 4.05Å; L67-C121 HydrophobicContact CD2-CB 4.19Å; L67-C121 HydrophobicContact CG-CB 4.32Å
68N90.1Very high89.8Confident121 Ų12157.6 Ų57.665%0.64731%0.313SS*.Hα-helixtrans-63.5-38.5179.7-72-30.6000112.2K66 G72K66-N68 VanDerWaalsContact C-N 3.33Å; K66-N68 PolarHBondContact O-N 3.07Å; N68-G72 PolarHBondContact O-N 3.48Å
69Q93.5Very high90.2Very high110 Ų11061.3 Ų61.351%0.51433%0.333SS..Hα-helixtrans-67.5-48.8176.5-179.6-175.2-2.800110.6K66 L67 C71 G72 E73K66-Q69 WeakPolarHBondContact O-CA 3.31Å; K66-Q69 WeakPolarHBondContact O-CB 3.33Å; K66-Q69 PolarHBondContact O-N 3.15Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.35Å; Q69-C71 PolarHBondContact O-N 3.36Å; Q69-G72 PolarHBondContact O-N 2.88Å; Q69-E73 VanDerWaalsContact CG-OE1 3.25Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.37Å; Q69-E73 PolarHBondContact NE2-OE1 2.92Å; Q69-E73 WeakPolarHBondContact O-CG 3.46Å; Q69-E73 PolarHBondContact O-N 2.89Å
70I93.6Very high90.6Very high7 Ų763.5 Ų63.54%0.03634%0.343CS..Hα-helixtrans-59.1-48.3179.5-67.8164.6000110.7K54 C57 I58 K66 L67 G72 E73 A74K54-I70 HydrophobicContact CG-CG2 4.32Å; K54-I70 WeakPolarHBondContact O-CG2 3.32Å; C57-I70 HydrophobicContact CB-CD1 3.84Å; C57-I70 HydrophobicContact CB-CG1 4.27Å; C57-I70 HydrophobicContact CB-CG2 4.48Å; I58-I70 HydrophobicContact CD1-CG2 4.32Å; I58-I70 HydrophobicContact CG1-CB 4.42Å; I58-I70 HydrophobicContact CG1-CD1 4.24Å; I58-I70 HydrophobicContact CG1-CG2 3.84Å; K66-I70 HydrophobicContact CB-CD1 4.02Å; K66-I70 HydrophobicContact CB-CG1 4.27Å; K66-I70 WeakPolarHBondContact O-CG1 3.46Å; K66-I70 PolarHBondContact O-N 3.41Å; L67-I70 PolarHBondContact O-N 3.39Å; I70-G72 VanDerWaalsContact C-N 3.34Å; I70-G72 PolarHBondContact O-N 3.4Å; I70-E73 PolarHBondContact O-N 3.48Å; I70-A74 WeakPolarHBondContact O-CB 3.11Å; I70-A74 PolarHBondContact O-N 2.94Å
71C94.1Very high91.1Very high0 Ų058.8 Ų58.80%032%0.318CS..Hα-helixtrans-64.3-38.8177.5-66.90000111.7L67 Q69 E75 I118 K122L67-C71 VanDerWaalsContact O-CB 3.32Å; L67-C71 WeakPolarHBondContact O-CB 3.31Å; L67-C71 PolarHBondContact O-N 3.28Å; L67-C71 PolarHBondContact O-SG 2.98Å; Q69-C71 PolarHBondContact O-N 3.36Å; C71-E75 WeakPolarHBondContact O-CB 3.41Å; C71-E75 PolarHBondContact O-N 2.93Å; C71-I118 HydrophobicContact CB-CG2 4.25Å; C71-K122 HydrophobicContact CB-CD 3.98Å; C71-K122 HydrophobicContact CB-CG 4.02Å
72G94.6Very high91.8Very high34 Ų3457 Ų5735%0.35130%0.295SS..Hα-helixtrans-66.1-40.3177.600000113.1N68 Q69 I70 S76N68-G72 PolarHBondContact O-N 3.48Å; Q69-G72 PolarHBondContact O-N 2.88Å; I70-G72 VanDerWaalsContact C-N 3.34Å; I70-G72 PolarHBondContact O-N 3.4Å; G72-S76 PolarHBondContact O-N 2.99Å
73E94.9Very high92.4Very high73 Ų7357.2 Ų57.234%0.34130%0.295SS..Hα-helixtrans-69.3-42.3175.2-72.5178.7-145.500111.9K54 Q69 I70 E75 S76 M77K54-E73 HydrophobicContact CD-CB 4.4Å; K54-E73 WeakPolarHBondContact CE-OE2 3.39Å; K54-E73 HydrophobicContact CG-CB 4.44Å; K54-E73 IonicContact NZ-OE1 3.83Å; K54-E73 IonicContact NZ-OE2 3.43Å; K54-E73 PolarHBondContact NZ-OE2 3Å; Q69-E73 VanDerWaalsContact CG-OE1 3.25Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.37Å; Q69-E73 PolarHBondContact NE2-OE1 2.92Å; Q69-E73 WeakPolarHBondContact O-CG 3.46Å; Q69-E73 PolarHBondContact O-N 2.89Å; I70-E73 PolarHBondContact O-N 3.48Å; E73-E75 VanDerWaalsContact C-N 3.32Å; E73-E75 PolarHBondContact O-N 2.85Å; E73-S76 PolarHBondContact O-N 3.2Å; E73-S76 PolarHBondContact O-OG 2.93Å; E73-M77 WeakPolarHBondContact O-CG 3.44Å
74A95.4Very high93Very high0 Ų057.1 Ų57.10%029%0.294CS..Hα-helixtrans-64.6-38.2174.700000111.8I51 K54 L55 I70 S76 M77 F78 I118I51-A74 HydrophobicContact CG2-CB 4.38Å; K54-A74 HydrophobicContact CB-CB 4.41Å; K54-A74 HydrophobicContact CG-CB 4.13Å; L55-A74 HydrophobicContact CD2-CB 3.77Å; L55-A74 HydrophobicContact CG-CB 3.94Å; I70-A74 WeakPolarHBondContact O-CB 3.11Å; I70-A74 PolarHBondContact O-N 2.94Å; A74-S76 PolarHBondContact O-N 3.46Å; A74-M77 WeakPolarHBondContact O-CB 3.25Å; A74-M77 PolarHBondContact O-N 3.43Å; A74-F78 WeakPolarHBondContact O-CD2 3.49Å; A74-I118 HydrophobicContact CB-CD1 3.85Å
75E94.8Very high93.6Very high59 Ų5955.1 Ų55.128%0.27629%0.285SS..Hα-helixtrans-62.1-39.6178.8-177.267.9-175.400112.4C71 E73 M77 F78 K115C71-E75 WeakPolarHBondContact O-CB 3.41Å; C71-E75 PolarHBondContact O-N 2.93Å; E73-E75 VanDerWaalsContact C-N 3.32Å; E73-E75 PolarHBondContact O-N 2.85Å; E75-M77 PolarHBondContact O-N 3.1Å; E75-F78 PolarHBondContact O-N 3.36Å; E75-K115 IonicContact OE1-NZ 2.69Å; E75-K115 PolarHBondContact OE1-NZ 3.33Å; E75-K115 IonicContact OE2-NZ 3.89Å; E75-K115 PolarHBondContact OE2-NZ 3.13Å
76S94.9Very high94Very high71 Ų7154.7 Ų54.750%0.49728%0.276SS..Hα-helixtrans-68.7-24.1179.768.90000113.1G72 E73 A74 F78 D79G72-S76 PolarHBondContact O-N 2.99Å; E73-S76 PolarHBondContact O-N 3.2Å; E73-S76 PolarHBondContact O-OG 2.93Å; A74-S76 PolarHBondContact O-N 3.46Å; S76-F78 VanDerWaalsContact C-N 3.26Å; S76-F78 PolarHBondContact O-N 2.99Å; S76-D79 WeakPolarHBondContact O-CB 3.48Å; S76-D79 PolarHBondContact O-N 2.74Å
77M94.8Very high94.2Very high65 Ų6552 Ų5232%0.3227%0.268SS..Hα-helixtrans-72.7-19.4178.4-60.7178108.200112.8T50 I51 E73 A74 E75 D79 E80T50-M77 HydrophobicContact CG2-CE 3.2Å; T50-M77 HydrophobicContact CG2-SD 4.21Å; I51-M77 HydrophobicContact CD1-CB 4.11Å; I51-M77 HydrophobicContact CG1-CB 3.63Å; I51-M77 HydrophobicContact CG1-SD 4.33Å; E73-M77 WeakPolarHBondContact O-CG 3.44Å; A74-M77 WeakPolarHBondContact O-CB 3.25Å; A74-M77 PolarHBondContact O-N 3.43Å; E75-M77 PolarHBondContact O-N 3.1Å; M77-D79 PolarHBondContact O-N 2.93Å; M77-E80 PolarHBondContact O-N 3.37Å
78F95.8Very high94.4Very high0 Ų051.1 Ų51.10%026%0.264CS..Hα-helixtrans-66.7-15.7174.4-79.3-85.1000113.2I51 A74 E75 S76 E80 V81 R82 L111 D114 K115 I118 L136I51-F78 HydrophobicContact CD1-CD1 4.31Å; I51-F78 HydrophobicContact CD1-CD2 4.18Å; I51-F78 HydrophobicContact CD1-CE1 4.22Å; I51-F78 HydrophobicContact CD1-CE2 4.07Å; I51-F78 HydrophobicContact CD1-CG 4.31Å; I51-F78 HydrophobicContact CD1-CZ 4.11Å; I51-F78 HydrophobicContact CG2-CE2 3.8Å; I51-F78 HydrophobicContact CG2-CZ 3.98Å; A74-F78 WeakPolarHBondContact O-CD2 3.49Å; E75-F78 PolarHBondContact O-N 3.36Å; S76-F78 VanDerWaalsContact C-N 3.26Å; S76-F78 PolarHBondContact O-N 2.99Å; F78-E80 VanDerWaalsContact C-N 3.27Å; F78-E80 PolarHBondContact O-N 2.98Å; F78-V81 HydrophobicContact CD1-CB 4.35Å; F78-V81 HydrophobicContact CD1-CG1 4.44Å; F78-V81 HydrophobicContact CD1-CG2 4.32Å; F78-V81 WeakPolarHBondContact O-CB 3.25Å; F78-V81 PolarHBondContact O-N 3.42Å; F78-R82 WeakPolarHBondContact O-CG 3.35Å; F78-R82 PolarHBondContact O-N 2.91Å; F78-R82 PolarHBondContact O-NH1 3.08Å; F78-L111 HydrophobicContact CE1-CB 4.4Å; F78-L111 HydrophobicContact CE1-CD2 3.98Å; F78-D114 HydrophobicContact CZ-CB 4Å; F78-K115 HydrophobicContact CD1-CD 4.2Å; F78-K115 HydrophobicContact CD2-CD 4.25Å; F78-K115 HydrophobicContact CE1-CB 4.28Å; F78-K115 HydrophobicContact CE1-CD 4.02Å; F78-K115 HydrophobicContact CE2-CD 4.08Å; F78-K115 HydrophobicContact CG-CD 4.3Å; F78-K115 HydrophobicContact CZ-CB 4.07Å; F78-K115 HydrophobicContact CZ-CD 3.95Å; F78-I118 HydrophobicContact CD2-CD1 4.39Å; F78-I118 HydrophobicContact CE2-CD1 3.63Å; F78-L136 HydrophobicContact CD1-CD2 3.56Å; F78-L136 HydrophobicContact CE1-CD2 3.43Å; F78-L136 VanDerWaalsContact CE1-CD2 3.43Å
79D95.6Very high94.4Very high81 Ų8147 Ų4743%0.43325%0.246SC..Hα-helixtrans-61.2-40.4173.7-68.51.2000110.9S76 M77 R82 I83S76-D79 WeakPolarHBondContact O-CB 3.48Å; S76-D79 PolarHBondContact O-N 2.74Å; M77-D79 PolarHBondContact O-N 2.93Å; D79-R82 PolarHBondContact O-N 3.44Å; D79-R82 IonicContact OD1-CZ 2.78Å; D79-R82 VanDerWaalsContact OD1-CZ 3.25Å; D79-R82 IonicContact OD1-NH1 3.13Å; D79-R82 PolarHBondContact OD1-NH1 2.96Å; D79-R82 VanDerWaalsContact OD1-NH1 3.13Å; D79-R82 IonicContact OD1-NH2 3.12Å; D79-R82 PolarHBondContact OD1-NH2 2.72Å; D79-I83 WeakPolarHBondContact O-CG1 3.31Å; D79-I83 PolarHBondContact O-N 3.09Å
80E94.8Very high94.3Very high78 Ų7847.1 Ų47.136%0.36425%0.251SS..Hα-helixtrans-68.3-39.8176-171.3172.1-162.700111.6R43 C47 M77 F78 R82 I83 I84R43-E80 IonicContact CZ-OE1 2.72Å; R43-E80 VanDerWaalsContact CZ-OE1 3.26Å; R43-E80 IonicContact NE-OE1 3.71Å; R43-E80 PolarHBondContact NE-OE1 3.44Å; R43-E80 IonicContact NH2-OE1 2.6Å; R43-E80 PolarHBondContact NH2-OE1 3.25Å; C47-E80 PolarHBondContact SG-OE2 3.35Å; M77-E80 PolarHBondContact O-N 3.37Å; F78-E80 VanDerWaalsContact C-N 3.27Å; F78-E80 PolarHBondContact O-N 2.98Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 2.6Å; E80-I83 PolarHBondContact O-N 2.78Å; E80-I83 VanDerWaalsContact O-N 3.17Å; E80-I84 HydrophobicContact CG-CD1 3.92Å; E80-I84 HydrophobicContact CG-CG1 4.44Å; E80-I84 WeakPolarHBondContact O-CG1 3.36Å; E80-I84 PolarHBondContact O-N 3.24Å
81V96Very high94.1Very high3 Ų350.2 Ų50.22%0.01827%0.267CS..Hα-helixtrans-56.3-46.8174.7172.90000110.8L44 C47 I51 F78 I83 I84 A85 L111 L136L44-V81 HydrophobicContact CD1-CB 4.43Å; L44-V81 HydrophobicContact CD1-CG1 3.96Å; L44-V81 HydrophobicContact CD1-CG2 4.42Å; C47-V81 HydrophobicContact CB-CG2 3.93Å; I51-V81 HydrophobicContact CD1-CG2 3.81Å; F78-V81 HydrophobicContact CD1-CB 4.35Å; F78-V81 HydrophobicContact CD1-CG1 4.44Å; F78-V81 HydrophobicContact CD1-CG2 4.32Å; F78-V81 WeakPolarHBondContact O-CB 3.25Å; F78-V81 PolarHBondContact O-N 3.42Å; V81-I83 VanDerWaalsContact C-N 3.33Å; V81-I83 PolarHBondContact O-N 3.05Å; V81-I84 PolarHBondContact O-N 3.25Å; V81-A85 WeakPolarHBondContact O-CB 3.4Å; V81-A85 PolarHBondContact O-N 2.57Å; V81-L111 HydrophobicContact CG1-CD1 3.82Å; V81-L111 HydrophobicContact CG1-CD2 4.47Å; V81-L111 HydrophobicContact CG2-CD1 4.49Å; V81-L111 HydrophobicContact CG2-CD2 3.97Å; V81-L136 HydrophobicContact CG1-CD2 4.27Å
82R95.4Very high93.8Very high89 Ų8950.4 Ų50.434%0.33627%0.268SS..Hα-helixtrans-62.7-38.9177.7-69.2-163-59.3-76.75.2112.6F78 D79 E80 K86 S135F78-R82 WeakPolarHBondContact O-CG 3.35Å; F78-R82 PolarHBondContact O-N 2.91Å; F78-R82 PolarHBondContact O-NH1 3.08Å; D79-R82 PolarHBondContact O-N 3.44Å; D79-R82 IonicContact OD1-CZ 2.78Å; D79-R82 VanDerWaalsContact OD1-CZ 3.25Å; D79-R82 IonicContact OD1-NH1 3.13Å; D79-R82 PolarHBondContact OD1-NH1 2.96Å; D79-R82 VanDerWaalsContact OD1-NH1 3.13Å; D79-R82 IonicContact OD1-NH2 3.12Å; D79-R82 PolarHBondContact OD1-NH2 2.72Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 2.6Å; R82-K86 WeakPolarHBondContact O-CB 3.45Å; R82-K86 PolarHBondContact O-N 2.97Å; R82-S135 VanDerWaalsContact CD-O 3.26Å; R82-S135 WeakPolarHBondContact CD-O 3.46Å; R82-S135 VanDerWaalsContact CG-O 3.28Å; R82-S135 WeakPolarHBondContact CG-O 3.4Å
83I95.6Very high93.3Very high96 Ų9656.1 Ų56.149%0.49228%0.283SS..Hα-helixtrans-62.6-48.2176.9-68.7165.3000110D79 E80 V81 K86 T87D79-I83 WeakPolarHBondContact O-CG1 3.31Å; D79-I83 PolarHBondContact O-N 3.09Å; E80-I83 PolarHBondContact O-N 2.78Å; E80-I83 VanDerWaalsContact O-N 3.17Å; V81-I83 VanDerWaalsContact C-N 3.33Å; V81-I83 PolarHBondContact O-N 3.05Å; I83-K86 PolarHBondContact O-N 2.83Å; I83-T87 PolarHBondContact O-N 3.13Å; I83-T87 PolarHBondContact O-OG1 3.32Å; I83-T87 VanDerWaalsContact O-OG1 3.08Å
84I94.8Very high92.6Very high0 Ų057.9 Ų57.90%030%0.295CS..Hα-helixtrans-66.1-44.7-178.9-61.4162.6000111.1D40 R43 L44 E80 V81 K86 T87 L88D40-I84 HydrophobicContact CB-CG2 4.28Å; D40-I84 WeakPolarHBondContact O-CG2 3.31Å; R43-I84 HydrophobicContact CB-CD1 4.04Å; R43-I84 HydrophobicContact CG-CD1 3.6Å; R43-I84 HydrophobicContact CG-CG1 4.31Å; L44-I84 HydrophobicContact CB-CG2 4Å; L44-I84 HydrophobicContact CD1-CB 4.37Å; L44-I84 HydrophobicContact CD1-CG2 4.28Å; E80-I84 HydrophobicContact CG-CD1 3.92Å; E80-I84 HydrophobicContact CG-CG1 4.44Å; E80-I84 WeakPolarHBondContact O-CG1 3.36Å; E80-I84 PolarHBondContact O-N 3.24Å; V81-I84 PolarHBondContact O-N 3.25Å; I84-K86 VanDerWaalsContact C-N 3.29Å; I84-K86 PolarHBondContact O-N 2.87Å; I84-T87 PolarHBondContact O-N 3.27Å; I84-L88 HydrophobicContact CG2-CD1 4Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CG 3.38Å; I84-L88 PolarHBondContact O-N 2.96Å
85A93.5Very high91.9Very high5 Ų561.2 Ų61.24%0.04133%0.329CS..Hα-helixtrans-57.9-42.817700000111.7V81 L88 A89 V138V81-A85 WeakPolarHBondContact O-CB 3.4Å; V81-A85 PolarHBondContact O-N 2.57Å; A85-L88 PolarHBondContact O-N 2.87Å; A85-A89 WeakPolarHBondContact O-CB 3.18Å; A85-A89 PolarHBondContact O-N 3.21Å; A85-V138 HydrophobicContact CB-CG1 4.01Å
86K93.3Very high91.3Very high131 Ų13161.5 Ų61.557%0.5733%0.332SS*.Hα-helixtrans-64.2-46.2174.7-176177.4178.2-178.90112.1R82 I83 I84 L88 A89 D90R82-K86 WeakPolarHBondContact O-CB 3.45Å; R82-K86 PolarHBondContact O-N 2.97Å; I83-K86 PolarHBondContact O-N 2.83Å; I84-K86 VanDerWaalsContact C-N 3.29Å; I84-K86 PolarHBondContact O-N 2.87Å; K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.37Å; K86-A89 PolarHBondContact O-N 3.45Å; K86-A89 VanDerWaalsContact O-N 3.16Å; K86-D90 WeakPolarHBondContact O-CB 3.47Å; K86-D90 PolarHBondContact O-N 3.37Å
87T93.5Very high90.7Very high47 Ų4758.8 Ų58.829%0.28831%0.312SS..Hα-helixtrans-58.8-42.7176.9-62.30000111.8I83 I84 D90 N91I83-T87 PolarHBondContact O-N 3.13Å; I83-T87 PolarHBondContact O-OG1 3.32Å; I83-T87 VanDerWaalsContact O-OG1 3.08Å; I84-T87 PolarHBondContact O-N 3.27Å; T87-D90 PolarHBondContact O-N 3.4Å; T87-N91 WeakPolarHBondContact CG2-ND2 3.5Å; T87-N91 VanDerWaalsContact O-CB 3.27Å; T87-N91 WeakPolarHBondContact O-CB 3.32Å; T87-N91 PolarHBondContact O-N 2.9Å; T87-N91 PolarHBondContact O-ND2 2.57Å
88L93.1Very high90.1Very high4 Ų461.2 Ų61.22%0.02133%0.333CS..Hα-helixtrans-62.4-43.2174.8-73.8168.7000111.9V37 D40 L41 I84 A85 K86 N91 V92 F100 V146V37-L88 HydrophobicContact CG2-CD2 4.44Å; D40-L88 HydrophobicContact CB-CD1 4.47Å; D40-L88 HydrophobicContact CB-CD2 3.5Å; D40-L88 HydrophobicContact CB-CG 3.91Å; L41-L88 HydrophobicContact CD2-CD1 3.92Å; I84-L88 HydrophobicContact CG2-CD1 4Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CG 3.38Å; I84-L88 PolarHBondContact O-N 2.96Å; A85-L88 PolarHBondContact O-N 2.87Å; K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.37Å; L88-N91 PolarHBondContact O-N 2.8Å; L88-V92 WeakPolarHBondContact O-CB 3.4Å; L88-V92 WeakPolarHBondContact O-CG2 3.06Å; L88-V92 PolarHBondContact O-N 2.85Å; L88-F100 HydrophobicContact CD2-CZ 4.37Å; L88-V146 HydrophobicContact CB-CG2 3.79Å
89A91Very high89.5Confident33 Ų3367.2 Ų67.227%0.27336%0.361SS..Hα-helixtrans-66.2-37.317900000112.7A85 K86 V146A85-A89 WeakPolarHBondContact O-CB 3.18Å; A85-A89 PolarHBondContact O-N 3.21Å; K86-A89 PolarHBondContact O-N 3.45Å; K86-A89 VanDerWaalsContact O-N 3.16Å; A89-V146 HydrophobicContact CB-CB 4.08Å; A89-V146 HydrophobicContact CB-CG2 4.1Å
90D90.6Very high89.2Confident114 Ų11464 Ų6461%0.6134%0.343SS*.Hα-helixtrans-73.4-33.7178.7-70.6-21000111.9K86 T87K86-D90 WeakPolarHBondContact O-CB 3.47Å; K86-D90 PolarHBondContact O-N 3.37Å; T87-D90 PolarHBondContact O-N 3.4Å
91N89.2Confident89Confident72 Ų7262.1 Ų62.139%0.38533%0.334SS..Hα-helixtrans-86.1-31.4-175.8-72.4-20.1000113.9L33 T87 L88L33-N91 WeakPolarHBondContact CD1-O 3.46Å; T87-N91 WeakPolarHBondContact CG2-ND2 3.5Å; T87-N91 VanDerWaalsContact O-CB 3.27Å; T87-N91 WeakPolarHBondContact O-CB 3.32Å; T87-N91 PolarHBondContact O-N 2.9Å; T87-N91 PolarHBondContact O-ND2 2.57Å; L88-N91 PolarHBondContact O-N 2.8Å
92V88.2Confident88.7Confident3 Ų367.5 Ų67.52%0.01836%0.357CS..  trans-108.3120.7-173.1-176.40000110.2V37 L88 D96 F100 S145V37-V92 HydrophobicContact CG2-CG2 3.3Å; L88-V92 WeakPolarHBondContact O-CB 3.4Å; L88-V92 WeakPolarHBondContact O-CG2 3.06Å; L88-V92 PolarHBondContact O-N 2.85Å; V92-D96 HydrophobicContact CG1-CB 4.4Å; V92-F100 HydrophobicContact CB-CE1 4.41Å; V92-F100 HydrophobicContact CB-CZ 4.27Å; V92-F100 HydrophobicContact CG1-CD1 4.15Å; V92-F100 HydrophobicContact CG1-CD2 4.22Å; V92-F100 HydrophobicContact CG1-CE1 4.12Å; V92-F100 HydrophobicContact CG1-CE2 4.24Å; V92-F100 HydrophobicContact CG1-CG 4.23Å; V92-F100 HydrophobicContact CG1-CZ 4.2Å; V92-F100 HydrophobicContact CG2-CE2 4Å; V92-F100 HydrophobicContact CG2-CZ 3.93Å; V92-S145 WeakPolarHBondContact O-CB 3.32Å; V92-S145 PolarHBondContact O-OG 3.01Å
93K84.2Confident88.5Confident154 Ų15467.2 Ų67.267%0.6736%0.361SS*.  trans-87155.2170.2-56.7-178.9178.5-175.80110.7G95 D96K93-G95 PolarHBondContact O-N 3.26Å; K93-G95 VanDerWaalsContact O-N 3.16Å; K93-D96 WeakPolarHBondContact CA-OD2 3.37Å; K93-D96 VanDerWaalsContact CB-OD2 3.26Å; K93-D96 WeakPolarHBondContact CB-OD2 3.47Å; K93-D96 PolarHBondContact N-OD2 3.29Å; K93-D96 WeakPolarHBondContact O-CB 3.36Å; K93-D96 PolarHBondContact O-N 3.45Å; K93-D96 VanDerWaalsContact O-N 3.1Å
94L80.8Confident88.4Confident111 Ų11163 Ų6358%0.58134%0.338SS*.THydrogen-bonded Turntrans-59.2121.2174.8-170.672.2000109.6
95G81.2Confident88.3Confident69 Ų6966 Ų6671%0.71135%0.353SS*.THydrogen-bonded Turntrans94.4-7-179.200000115.8K93 I97K93-G95 PolarHBondContact O-N 3.26Å; K93-G95 VanDerWaalsContact O-N 3.16Å; G95-I97 VanDerWaalsContact C-N 3.3Å; G95-I97 PolarHBondContact O-N 3.35Å
96D82.1Confident88.3Confident65 Ų6569.9 Ų69.935%0.34838%0.38SS..SBendtrans-64.1-36.7178.2-76.5-12.4000112.1L33 V92 K93L33-D96 HydrophobicContact CD2-CB 3.97Å; V92-D96 HydrophobicContact CG1-CB 4.4Å; K93-D96 WeakPolarHBondContact CA-OD2 3.37Å; K93-D96 VanDerWaalsContact CB-OD2 3.26Å; K93-D96 WeakPolarHBondContact CB-OD2 3.47Å; K93-D96 PolarHBondContact N-OD2 3.29Å; K93-D96 WeakPolarHBondContact O-CB 3.36Å; K93-D96 PolarHBondContact O-N 3.45Å; K93-D96 VanDerWaalsContact O-N 3.1Å
97I81.9Confident88.4Confident15 Ų1564.7 Ų64.78%0.07736%0.358CS..SBendtrans-127118.7-179.9-59.9168.5000108.9R34 V37 G95 E99 F100 M103R34-I97 HydrophobicContact CG-CD1 4.16Å; R34-I97 HydrophobicContact CG-CG1 4.26Å; V37-I97 HydrophobicContact CB-CD1 4.31Å; V37-I97 HydrophobicContact CG1-CD1 4.24Å; V37-I97 HydrophobicContact CG2-CD1 3.94Å; G95-I97 VanDerWaalsContact C-N 3.3Å; G95-I97 PolarHBondContact O-N 3.35Å; I97-E99 PolarHBondContact O-N 2.93Å; I97-F100 HydrophobicContact CB-CB 4.12Å; I97-F100 HydrophobicContact CB-CD2 4.26Å; I97-F100 HydrophobicContact CD1-CD2 4.02Å; I97-F100 HydrophobicContact CD1-CE2 4.45Å; I97-F100 HydrophobicContact CG2-CB 4.33Å; I97-F100 HydrophobicContact CG2-CD2 4.46Å; I97-F100 WeakPolarHBondContact O-CB 3.35Å; I97-F100 PolarHBondContact O-N 3.02Å; I97-M103 HydrophobicContact CD1-CE 4.46Å; I97-M103 HydrophobicContact CG2-CE 3.6Å
98P80.7Confident88.4Confident115 Ų11562.9 Ų62.975%0.74735%0.346SS*.THydrogen-bonded Turntrans-58.1135.7172.8-23.133.4000110.8F100P98-F100 PolarHBondContact O-N 3.16Å
99E84.8Confident88.5Confident127 Ų12764.6 Ų64.659%0.59335%0.354SS*.THydrogen-bonded Turntrans57.528.3177.7-47.7-166.1150.600114.6I97 H101 K102I97-E99 PolarHBondContact O-N 2.93Å; E99-H101 PolarHBondContact O-N 3.42Å; E99-H101 VanDerWaalsContact O-N 3.11Å; E99-K102 HydrophobicContact CB-CB 4.49Å; E99-K102 HydrophobicContact CB-CD 4.08Å; E99-K102 HydrophobicContact CB-CG 4.23Å; E99-K102 WeakPolarHBondContact O-CB 3.26Å; E99-K102 PolarHBondContact O-N 3.05Å; E99-K102 IonicContact OE1-NZ 3.78Å; E99-K102 PolarHBondContact OE1-NZ 3.46Å; E99-K102 WeakPolarHBondContact OE2-CD 3.28Å; E99-K102 WeakPolarHBondContact OE2-CE 3.46Å; E99-K102 IonicContact OE2-NZ 3.65Å; E99-K102 PolarHBondContact OE2-NZ 3.27Å
100F89.2Confident88.7Confident13 Ų1364.3 Ų64.36%0.05735%0.35CS..G310 helixtrans-49.8-39.6179.2179.7-111.1000113.5V37 L88 V92 I97 P98 K102 M103 Y104 V146V37-F100 HydrophobicContact CG1-CD2 4.29Å; V37-F100 HydrophobicContact CG1-CE2 3.57Å; V37-F100 HydrophobicContact CG2-CE2 4.25Å; L88-F100 HydrophobicContact CD2-CZ 4.37Å; V92-F100 HydrophobicContact CB-CE1 4.41Å; V92-F100 HydrophobicContact CB-CZ 4.27Å; V92-F100 HydrophobicContact CG1-CD1 4.15Å; V92-F100 HydrophobicContact CG1-CD2 4.22Å; V92-F100 HydrophobicContact CG1-CE1 4.12Å; V92-F100 HydrophobicContact CG1-CE2 4.24Å; V92-F100 HydrophobicContact CG1-CG 4.23Å; V92-F100 HydrophobicContact CG1-CZ 4.2Å; V92-F100 HydrophobicContact CG2-CE2 4Å; V92-F100 HydrophobicContact CG2-CZ 3.93Å; I97-F100 HydrophobicContact CB-CB 4.12Å; I97-F100 HydrophobicContact CB-CD2 4.26Å; I97-F100 HydrophobicContact CD1-CD2 4.02Å; I97-F100 HydrophobicContact CD1-CE2 4.45Å; I97-F100 HydrophobicContact CG2-CB 4.33Å; I97-F100 HydrophobicContact CG2-CD2 4.46Å; I97-F100 WeakPolarHBondContact O-CB 3.35Å; I97-F100 PolarHBondContact O-N 3.02Å; P98-F100 PolarHBondContact O-N 3.16Å; F100-K102 VanDerWaalsContact C-N 3.33Å; F100-K102 PolarHBondContact O-N 3Å; F100-M103 HydrophobicContact CB-CE 4.24Å; F100-M103 HydrophobicContact CD2-CE 3.29Å; F100-M103 HydrophobicContact CE2-CE 4Å; F100-M103 HydrophobicContact CG-CE 4.15Å; F100-M103 WeakPolarHBondContact O-CB 3.27Å; F100-M103 PolarHBondContact O-N 3.42Å; F100-M103 VanDerWaalsContact O-N 3.13Å; F100-Y104 HydrophobicContact CD1-CD1 4.3Å; F100-Y104 AromaticContact CD1-CE1 3.57Å; F100-Y104 HydrophobicContact CD1-CE1 3.57Å; F100-Y104 HydrophobicContact CE1-CD1 4.03Å; F100-Y104 AromaticContact CE1-CE1 3.46Å; F100-Y104 HydrophobicContact CE1-CE1 3.46Å; F100-Y104 VanDerWaalsContact CE1-CE1 3.46Å; F100-Y104 HydrophobicContact CG-CE1 4.33Å; F100-Y104 HydrophobicContact CZ-CD1 4.23Å; F100-Y104 HydrophobicContact CZ-CE1 4.11Å; F100-Y104 VanDerWaalsContact O-CD1 3.32Å; F100-Y104 WeakPolarHBondContact O-CD1 3.43Å; F100-Y104 WeakPolarHBondContact O-CE1 3.14Å; F100-V146 HydrophobicContact CE1-CG2 3.8Å; F100-V146 HydrophobicContact CZ-CG2 4.31Å
101H89.4Confident88.9Confident39 Ų3959 Ų5918%0.18132%0.322CS..G310 helixtrans-55.8-42.2177-172.572.6000113.6E99 M103 Y104 E105 D152E99-H101 PolarHBondContact O-N 3.42Å; E99-H101 VanDerWaalsContact O-N 3.11Å; H101-M103 PolarHBondContact O-N 3.13Å; H101-M103 VanDerWaalsContact O-N 3.1Å; H101-Y104 VanDerWaalsContact CA-CE1 3.46Å; H101-Y104 HydrophobicContact CB-CE1 4.46Å; H101-Y104 AromaticContact ND1-CE2 3.57Å; H101-Y104 AromaticContact ND1-CZ 3.43Å; H101-Y104 PolarHBondContact ND1-OH 3.06Å; H101-Y104 VanDerWaalsContact ND1-OH 3.09Å; H101-Y104 PolarHBondContact O-N 3.22Å; H101-Y104 VanDerWaalsContact O-N 3.09Å; H101-E105 IonicContact CD2-OE2 2.78Å; H101-E105 PolarHBondContact O-N 3.22Å; H101-D152 IonicContact CE1-OD2 3.42Å; H101-D152 PolarHBondContact CE1-OD2 2.9Å; H101-D152 IonicContact NE2-OD1 2.81Å; H101-D152 IonicContact NE2-OD2 2.61Å; H101-D152 PolarHBondContact NE2-OD2 3.05Å; H101-D152 VanDerWaalsContact NE2-OD2 3.13Å
102K89.8Confident89.2Confident116 Ų11655.6 Ų55.650%0.50430%0.304SS..G310 helixtrans-62.9-22.4-179.4-64-170.6-170.6166.70113.2E99 F100 Y104E99-K102 HydrophobicContact CB-CB 4.49Å; E99-K102 HydrophobicContact CB-CD 4.08Å; E99-K102 HydrophobicContact CB-CG 4.23Å; E99-K102 WeakPolarHBondContact O-CB 3.26Å; E99-K102 PolarHBondContact O-N 3.05Å; E99-K102 IonicContact OE1-NZ 3.78Å; E99-K102 PolarHBondContact OE1-NZ 3.46Å; E99-K102 WeakPolarHBondContact OE2-CD 3.28Å; E99-K102 WeakPolarHBondContact OE2-CE 3.46Å; E99-K102 IonicContact OE2-NZ 3.65Å; E99-K102 PolarHBondContact OE2-NZ 3.27Å; F100-K102 VanDerWaalsContact C-N 3.33Å; F100-K102 PolarHBondContact O-N 3Å; K102-Y104 VanDerWaalsContact C-N 3.3Å; K102-Y104 PolarHBondContact O-N 3.34Å
103M91.8Very high89.6Confident82 Ų8256.4 Ų56.440%0.40431%0.307SS..G310 helixtrans-74.5-21.3179.9-61.8-166.7-78.300113.1V37 L41 I97 F100 H101V37-M103 HydrophobicContact CG1-CE 4.33Å; L41-M103 HydrophobicContact CD1-CB 3.7Å; L41-M103 HydrophobicContact CD1-SD 4.42Å; I97-M103 HydrophobicContact CD1-CE 4.46Å; I97-M103 HydrophobicContact CG2-CE 3.6Å; F100-M103 HydrophobicContact CB-CE 4.24Å; F100-M103 HydrophobicContact CD2-CE 3.29Å; F100-M103 HydrophobicContact CE2-CE 4Å; F100-M103 HydrophobicContact CG-CE 4.15Å; F100-M103 WeakPolarHBondContact O-CB 3.27Å; F100-M103 PolarHBondContact O-N 3.42Å; F100-M103 VanDerWaalsContact O-N 3.13Å; H101-M103 PolarHBondContact O-N 3.13Å; H101-M103 VanDerWaalsContact O-N 3.1Å
104Y92.5Very high90.1Very high7 Ų749.1 Ų49.13%0.02728%0.275CS..THydrogen-bonded Turntrans-125.5-8.6-177.566.7-99.7000114.6F100 H101 K102 S106 I107 L108 S145 H147F100-Y104 HydrophobicContact CD1-CD1 4.3Å; F100-Y104 AromaticContact CD1-CE1 3.57Å; F100-Y104 HydrophobicContact CD1-CE1 3.57Å; F100-Y104 HydrophobicContact CE1-CD1 4.03Å; F100-Y104 AromaticContact CE1-CE1 3.46Å; F100-Y104 HydrophobicContact CE1-CE1 3.46Å; F100-Y104 VanDerWaalsContact CE1-CE1 3.46Å; F100-Y104 HydrophobicContact CG-CE1 4.33Å; F100-Y104 HydrophobicContact CZ-CD1 4.23Å; F100-Y104 HydrophobicContact CZ-CE1 4.11Å; F100-Y104 VanDerWaalsContact O-CD1 3.32Å; F100-Y104 WeakPolarHBondContact O-CD1 3.43Å; F100-Y104 WeakPolarHBondContact O-CE1 3.14Å; H101-Y104 VanDerWaalsContact CA-CE1 3.46Å; H101-Y104 HydrophobicContact CB-CE1 4.46Å; H101-Y104 AromaticContact ND1-CE2 3.57Å; H101-Y104 AromaticContact ND1-CZ 3.43Å; H101-Y104 PolarHBondContact ND1-OH 3.06Å; H101-Y104 VanDerWaalsContact ND1-OH 3.09Å; H101-Y104 PolarHBondContact O-N 3.22Å; H101-Y104 VanDerWaalsContact O-N 3.09Å; K102-Y104 VanDerWaalsContact C-N 3.3Å; K102-Y104 PolarHBondContact O-N 3.34Å; Y104-S106 VanDerWaalsContact C-N 3.3Å; Y104-S106 PolarHBondContact O-N 3.37Å; Y104-I107 PolarHBondContact O-N 2.81Å; Y104-L108 HydrophobicContact CD2-CB 4.26Å; Y104-L108 HydrophobicContact CD2-CD2 4.16Å; Y104-L108 HydrophobicContact CE2-CD2 3.95Å; Y104-L108 WeakPolarHBondContact O-CB 3.35Å; Y104-L108 PolarHBondContact O-N 2.61Å; Y104-S145 PolarHBondContact OH-O 3.44Å; Y104-S145 VanDerWaalsContact OH-O 3.07Å; Y104-H147 PolarHBondContact OH-N 3.4Å; Y104-H147 PolarHBondContact OH-O 3.26Å
105E93.3Very high90.7Very high64 Ų6444.2 Ų44.230%0.29925%0.249SC..Hα-helixtrans-52.2-45.2-177.367.5-175-161.800112.6H101 I107 L108 Q109H101-E105 IonicContact CD2-OE2 2.78Å; H101-E105 PolarHBondContact O-N 3.22Å; E105-I107 PolarHBondContact O-N 2.78Å; E105-L108 PolarHBondContact O-N 2.65Å; E105-Q109 WeakPolarHBondContact O-CB 3.41Å; E105-Q109 WeakPolarHBondContact O-CG 3.46Å; E105-Q109 PolarHBondContact O-N 3.1Å
106S93.4Very high91.3Very high87 Ų8741 Ų4161%0.60822%0.216SC*.Hα-helixtrans-65.9-37.2180-178.70000112.6Y104 S110Y104-S106 VanDerWaalsContact C-N 3.3Å; Y104-S106 PolarHBondContact O-N 3.37Å; S106-S110 PolarHBondContact O-N 3.42Å
107I95.4Very high91.8Very high22 Ų2238 Ų3811%0.11320%0.199CC..Hα-helixtrans-70-42.4178-57.1169.2000108.9L44 E45 E48 Y104 E105 S110 L111L44-I107 HydrophobicContact CD2-CG2 4.1Å; L44-I107 HydrophobicContact CG-CG2 3.86Å; E45-I107 HydrophobicContact CB-CD1 3.89Å; E45-I107 HydrophobicContact CG-CD1 4.26Å; E48-I107 HydrophobicContact CB-CG2 3.82Å; E48-I107 HydrophobicContact CG-CG2 4.05Å; Y104-I107 PolarHBondContact O-N 2.81Å; E105-I107 PolarHBondContact O-N 2.78Å; I107-S110 PolarHBondContact O-N 3.5Å; I107-L111 HydrophobicContact CG2-CD1 4.08Å; I107-L111 WeakPolarHBondContact O-CG 3.44Å; I107-L111 PolarHBondContact O-N 3.12Å
108L94Very high92.3Very high9 Ų937.4 Ų37.45%0.04720%0.197CC..Hα-helixtrans-62.6-44.7178.7-171.861.6000111.3Y104 E105 S110 L111 I112 L136 V138 L148Y104-L108 HydrophobicContact CD2-CB 4.26Å; Y104-L108 HydrophobicContact CD2-CD2 4.16Å; Y104-L108 HydrophobicContact CE2-CD2 3.95Å; Y104-L108 WeakPolarHBondContact O-CB 3.35Å; Y104-L108 PolarHBondContact O-N 2.61Å; E105-L108 PolarHBondContact O-N 2.65Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 2.78Å; L108-L111 PolarHBondContact O-N 3.5Å; L108-I112 HydrophobicContact CG-CD1 4.25Å; L108-I112 WeakPolarHBondContact O-CD1 3.43Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.13Å; L108-L136 HydrophobicContact CD1-CD1 3.71Å; L108-V138 HydrophobicContact CD1-CG1 4.44Å; L108-L148 HydrophobicContact CD1-CD1 4.46Å; L108-L148 HydrophobicContact CD2-CB 4.45Å; L108-L148 HydrophobicContact CD2-CD1 3.57Å; L108-L148 HydrophobicContact CG-CD1 3.9Å
109Q95Very high92.9Very high39 Ų3932.3 Ų32.318%0.18216%0.164CC..Hα-helixtrans-57.7-42.2175.5-71.5162.719.600112.1E105 I112 F113 D152 L155 G156E105-Q109 WeakPolarHBondContact O-CB 3.41Å; E105-Q109 WeakPolarHBondContact O-CG 3.46Å; E105-Q109 PolarHBondContact O-N 3.1Å; Q109-I112 PolarHBondContact O-N 3.06Å; Q109-F113 PolarHBondContact O-N 2.97Å; Q109-F113 VanDerWaalsContact O-N 3.07Å; Q109-D152 HydrophobicContact CG-CB 4.07Å; Q109-D152 PolarHBondContact NE2-OD1 3.13Å; Q109-L155 HydrophobicContact CG-CB 4Å; Q109-G156 VanDerWaalsContact O-CA 3.23Å; Q109-G156 WeakPolarHBondContact O-CA 3.4Å
110S95Very high93.2Very high28 Ų2829.1 Ų29.120%0.19615%0.149CC..Hα-helixtrans-66.4-43175.7-164.70000112.4E48 S106 I107 L108 I112 F113 D114E48-S110 VanDerWaalsContact OE1-CB 3.25Å; E48-S110 WeakPolarHBondContact OE1-CB 3.49Å; E48-S110 PolarHBondContact OE1-OG 3.38Å; S106-S110 PolarHBondContact O-N 3.42Å; I107-S110 PolarHBondContact O-N 3.5Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 2.78Å; S110-I112 VanDerWaalsContact C-N 3.3Å; S110-I112 PolarHBondContact O-N 3.15Å; S110-F113 VanDerWaalsContact O-CB 3.31Å; S110-F113 WeakPolarHBondContact O-CB 3.42Å; S110-F113 PolarHBondContact O-N 3.09Å; S110-F113 VanDerWaalsContact O-N 3.15Å; S110-D114 PolarHBondContact O-N 3.48Å
111L96Very high93.1Very high3 Ų329 Ų292%0.01615%0.149CC..Hα-helixtrans-62.9-35.3176-70.9169.2000112.7L44 E48 I51 F78 V81 I107 L108 K115 L136L44-L111 HydrophobicContact CD1-CD1 4.01Å; L44-L111 HydrophobicContact CG-CD1 4.37Å; E48-L111 HydrophobicContact CB-CD2 3.89Å; E48-L111 HydrophobicContact CB-CG 4.11Å; E48-L111 HydrophobicContact CG-CD2 4.15Å; E48-L111 HydrophobicContact CG-CG 4.09Å; I51-L111 HydrophobicContact CD1-CD2 3.9Å; F78-L111 HydrophobicContact CE1-CB 4.4Å; F78-L111 HydrophobicContact CE1-CD2 3.98Å; V81-L111 HydrophobicContact CG1-CD1 3.82Å; V81-L111 HydrophobicContact CG1-CD2 4.47Å; V81-L111 HydrophobicContact CG2-CD1 4.49Å; V81-L111 HydrophobicContact CG2-CD2 3.97Å; I107-L111 HydrophobicContact CG2-CD1 4.08Å; I107-L111 WeakPolarHBondContact O-CG 3.44Å; I107-L111 PolarHBondContact O-N 3.12Å; L108-L111 PolarHBondContact O-N 3.5Å; L111-K115 VanDerWaalsContact O-CB 3.32Å; L111-K115 WeakPolarHBondContact O-CB 3.46Å; L111-K115 PolarHBondContact O-N 2.92Å; L111-L136 HydrophobicContact CB-CD1 4.33Å; L111-L136 HydrophobicContact CB-CD2 4.03Å
112I95.4Very high93Very high0 Ų031.9 Ų31.90%016%0.161CC..Hα-helixtrans-64.1-46.7173.4-66.5163000110.4L108 Q109 S110 K115 C116 V132 L136 L148 D152 Y153L108-I112 HydrophobicContact CG-CD1 4.25Å; L108-I112 WeakPolarHBondContact O-CD1 3.43Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.13Å; Q109-I112 PolarHBondContact O-N 3.06Å; S110-I112 VanDerWaalsContact C-N 3.3Å; S110-I112 PolarHBondContact O-N 3.15Å; I112-K115 PolarHBondContact O-N 3.36Å; I112-C116 WeakPolarHBondContact O-CB 3.35Å; I112-C116 PolarHBondContact O-N 3.17Å; I112-C116 PolarHBondContact O-SG 3.07Å; I112-V132 HydrophobicContact CB-CG1 4.27Å; I112-V132 HydrophobicContact CG1-CG1 3.78Å; I112-V132 HydrophobicContact CG2-CG1 4.16Å; I112-L136 HydrophobicContact CG1-CD1 3.88Å; I112-L148 HydrophobicContact CD1-CD1 3.36Å; I112-L148 HydrophobicContact CG1-CD1 4.27Å; I112-D152 HydrophobicContact CD1-CB 4.14Å; I112-D152 WeakPolarHBondContact CD1-O 3.41Å; I112-Y153 HydrophobicContact CG2-CD2 4.05Å
113F94.7Very high92.9Very high20 Ų2031.7 Ų31.79%0.08816%0.162CC..Hα-helixtrans-54.9-53.7175.4168.4-97.3000110.6Q109 S110 K115 C116 L117 G156 L159 L160 E163Q109-F113 PolarHBondContact O-N 2.97Å; Q109-F113 VanDerWaalsContact O-N 3.07Å; S110-F113 VanDerWaalsContact O-CB 3.31Å; S110-F113 WeakPolarHBondContact O-CB 3.42Å; S110-F113 PolarHBondContact O-N 3.09Å; S110-F113 VanDerWaalsContact O-N 3.15Å; F113-K115 VanDerWaalsContact C-N 3.32Å; F113-K115 PolarHBondContact O-N 3.11Å; F113-C116 PolarHBondContact O-N 2.9Å; F113-L117 HydrophobicContact CE1-CD2 4.08Å; F113-L117 HydrophobicContact CZ-CD2 4.14Å; F113-L117 WeakPolarHBondContact O-CB 3.48Å; F113-L117 PolarHBondContact O-N 3.29Å; F113-G156 VanDerWaalsContact CB-O 3.3Å; F113-G156 WeakPolarHBondContact CB-O 3.39Å; F113-L159 HydrophobicContact CD2-CB 4.25Å; F113-L159 HydrophobicContact CE2-CB 4.09Å; F113-L160 HydrophobicContact CD2-CB 4.37Å; F113-L160 HydrophobicContact CD2-CD1 4.49Å; F113-L160 HydrophobicContact CE2-CB 4.45Å; F113-L160 HydrophobicContact CE2-CD1 4.34Å; F113-E163 HydrophobicContact CE2-CB 4.06Å; F113-E163 HydrophobicContact CZ-CB 3.86Å; F113-E163 HydrophobicContact CZ-CG 3.83Å
114D94.7Very high92.7Very high0 Ų034.2 Ų34.20%017%0.167CC..Hα-helixtrans-58.2-44.4-179-73.7-19.2000111.4I51 N52 L55 F78 S110 L117 I118I51-D114 HydrophobicContact CG2-CB 3.8Å; I51-D114 WeakPolarHBondContact CG2-OD2 3.45Å; N52-D114 PolarHBondContact ND2-OD1 2.88Å; L55-D114 HydrophobicContact CD1-CB 3.55Å; L55-D114 WeakPolarHBondContact CD1-OD1 3.43Å; F78-D114 HydrophobicContact CZ-CB 4Å; S110-D114 PolarHBondContact O-N 3.48Å; D114-L117 PolarHBondContact O-N 2.88Å; D114-I118 VanDerWaalsContact O-CG1 3.31Å; D114-I118 WeakPolarHBondContact O-CG1 3.32Å; D114-I118 PolarHBondContact O-N 3.43Å
115K94.5Very high92.6Very high9 Ų940 Ų404%0.03919%0.192CC..Hα-helixtrans-64.6-43.6179.6-165.675.1-166.5179.60112.2E75 F78 L111 I112 F113 I118 A119 L127E75-K115 IonicContact OE1-NZ 2.69Å; E75-K115 PolarHBondContact OE1-NZ 3.33Å; E75-K115 IonicContact OE2-NZ 3.89Å; E75-K115 PolarHBondContact OE2-NZ 3.13Å; F78-K115 HydrophobicContact CD1-CD 4.2Å; F78-K115 HydrophobicContact CD2-CD 4.25Å; F78-K115 HydrophobicContact CE1-CB 4.28Å; F78-K115 HydrophobicContact CE1-CD 4.02Å; F78-K115 HydrophobicContact CE2-CD 4.08Å; F78-K115 HydrophobicContact CG-CD 4.3Å; F78-K115 HydrophobicContact CZ-CB 4.07Å; F78-K115 HydrophobicContact CZ-CD 3.95Å; L111-K115 VanDerWaalsContact O-CB 3.32Å; L111-K115 WeakPolarHBondContact O-CB 3.46Å; L111-K115 PolarHBondContact O-N 2.92Å; I112-K115 PolarHBondContact O-N 3.36Å; F113-K115 VanDerWaalsContact C-N 3.32Å; F113-K115 PolarHBondContact O-N 3.11Å; K115-I118 PolarHBondContact O-N 3.15Å; K115-A119 PolarHBondContact O-N 3.03Å; K115-A119 VanDerWaalsContact O-N 3.09Å; K115-L127 HydrophobicContact CB-CD1 4.47Å; K115-L127 HydrophobicContact CG-CD1 3.57Å
116C94.2Very high92.5Very high0 Ų041.3 Ų41.30%020%0.201CC..Hα-helixtrans-69.2-36.1178.2-66.40000111.6I112 F113 A119 F120 L126 L157 L160I112-C116 WeakPolarHBondContact O-CB 3.35Å; I112-C116 PolarHBondContact O-N 3.17Å; I112-C116 PolarHBondContact O-SG 3.07Å; F113-C116 PolarHBondContact O-N 2.9Å; C116-A119 PolarHBondContact O-N 2.68Å; C116-F120 WeakPolarHBondContact O-CB 3.34Å; C116-F120 PolarHBondContact O-N 3.41Å; C116-L126 HydrophobicContact CB-CD1 4.16Å; C116-L157 HydrophobicContact CB-CD2 3.71Å; C116-L157 VanDerWaalsContact SG-CD2 3.54Å; C116-L160 HydrophobicContact CB-CD2 3.98Å
117L92.3Very high92.4Very high2 Ų238.5 Ų38.51%0.0118%0.179CC..Hα-helixtrans-62.1-46.7174.1-177.960.9000111.2L55 F113 D114 A119 F120 C121 L160 E163 L164L55-L117 HydrophobicContact CB-CD2 4.41Å; L55-L117 HydrophobicContact CD1-CD2 4.37Å; F113-L117 HydrophobicContact CE1-CD2 4.08Å; F113-L117 HydrophobicContact CZ-CD2 4.14Å; F113-L117 WeakPolarHBondContact O-CB 3.48Å; F113-L117 PolarHBondContact O-N 3.29Å; D114-L117 PolarHBondContact O-N 2.88Å; L117-A119 PolarHBondContact O-N 3.27Å; L117-F120 PolarHBondContact O-N 2.98Å; L117-C121 VanDerWaalsContact O-CB 3.32Å; L117-C121 WeakPolarHBondContact O-CB 3.34Å; L117-C121 PolarHBondContact O-N 3.23Å; L117-C121 PolarHBondContact O-SG 2.98Å; L117-L160 HydrophobicContact CB-CD1 3.97Å; L117-L160 HydrophobicContact CD1-CD1 4.06Å; L117-E163 HydrophobicContact CD1-CG 4.14Å; L117-E163 HydrophobicContact CD2-CG 4.07Å; L117-L164 HydrophobicContact CD1-CD2 4.04Å
118I92.9Very high92.4Very high4 Ų440.9 Ų40.92%0.02119%0.194CC..Hα-helixtrans-57.9-49.6175.7-71165.1000111.1L55 C71 A74 F78 D114 K115 F120 C121 K122L55-I118 HydrophobicContact CD1-CD1 4.23Å; L55-I118 HydrophobicContact CD1-CG1 4.16Å; L55-I118 HydrophobicContact CD2-CD1 4.2Å; L55-I118 HydrophobicContact CD2-CG1 3.65Å; C71-I118 HydrophobicContact CB-CG2 4.25Å; A74-I118 HydrophobicContact CB-CD1 3.85Å; F78-I118 HydrophobicContact CD2-CD1 4.39Å; F78-I118 HydrophobicContact CE2-CD1 3.63Å; D114-I118 VanDerWaalsContact O-CG1 3.31Å; D114-I118 WeakPolarHBondContact O-CG1 3.32Å; D114-I118 PolarHBondContact O-N 3.43Å; K115-I118 PolarHBondContact O-N 3.15Å; I118-F120 VanDerWaalsContact C-N 3.33Å; I118-F120 PolarHBondContact O-N 3.32Å; I118-C121 PolarHBondContact O-N 3.22Å; I118-K122 HydrophobicContact CG2-CD 3.86Å; I118-K122 WeakPolarHBondContact O-CG 3.44Å; I118-K122 PolarHBondContact O-N 3.45Å
119A92.5Very high92.3Very high8 Ų842.1 Ų42.17%0.06620%0.2CC..Hα-helixtrans-62.6-40.7179.900000112.1K115 C116 L117 K122 E123 R124 K125 L127K115-A119 PolarHBondContact O-N 3.03Å; K115-A119 VanDerWaalsContact O-N 3.09Å; C116-A119 PolarHBondContact O-N 2.68Å; L117-A119 PolarHBondContact O-N 3.27Å; A119-K122 PolarHBondContact O-N 3.02Å; A119-E123 WeakPolarHBondContact O-CA 3.33Å; A119-E123 WeakPolarHBondContact O-CB 3.42Å; A119-E123 PolarHBondContact O-N 3.17Å; A119-R124 PolarHBondContact O-N 3.17Å; A119-K125 CarbonylContact C-O 3.54Å; A119-L127 HydrophobicContact CB-CD1 3.8Å; A119-L127 HydrophobicContact CB-CD2 3.61Å; A119-L127 HydrophobicContact CB-CG 3.46Å; A119-L127 VanDerWaalsContact CB-CG 3.46Å
120F90.7Very high92.2Very high60 Ų6045.5 Ų45.526%0.26322%0.215SC..Hα-helixtrans-67.8-39.2177.2-167.1-84.6000112C116 L117 I118 R124 K125 L164C116-F120 WeakPolarHBondContact O-CB 3.34Å; C116-F120 PolarHBondContact O-N 3.41Å; L117-F120 PolarHBondContact O-N 2.98Å; I118-F120 VanDerWaalsContact C-N 3.33Å; I118-F120 PolarHBondContact O-N 3.32Å; F120-R124 VanDerWaalsContact O-CA 3.25Å; F120-R124 WeakPolarHBondContact O-CA 3.44Å; F120-R124 WeakPolarHBondContact O-CD 3.46Å; F120-R124 PolarHBondContact O-N 3.43Å; F120-R124 PolarHBondContact O-NH1 3Å; F120-K125 WeakPolarHBondContact CA-O 3.33Å; F120-K125 PolarHBondContact N-O 3.45Å; F120-L164 HydrophobicContact CB-CD2 4.38Å; F120-L164 HydrophobicContact CD1-CD1 3.69Å; F120-L164 HydrophobicContact CD1-CD2 3.15Å; F120-L164 HydrophobicContact CD1-CG 4.03Å; F120-L164 HydrophobicContact CD2-CD1 3.99Å; F120-L164 HydrophobicContact CE1-CD1 3.56Å; F120-L164 HydrophobicContact CE1-CD2 3.49Å; F120-L164 VanDerWaalsContact CE1-CD2 3.49Å; F120-L164 HydrophobicContact CE1-CG 4.06Å; F120-L164 HydrophobicContact CE2-CD1 3.87Å; F120-L164 HydrophobicContact CG-CD1 3.89Å; F120-L164 HydrophobicContact CG-CD2 3.87Å; F120-L164 HydrophobicContact CZ-CD1 3.65Å; F120-L164 HydrophobicContact CZ-CD2 4.44Å
121C87.8Confident92.2Very high10 Ų1047.2 Ų47.27%0.06823%0.225CC..Hα-helixtrans-64.8-41.2177.3-77.10000112.7L67 L117 I118L67-C121 HydrophobicContact CD1-CB 4.05Å; L67-C121 HydrophobicContact CD2-CB 4.19Å; L67-C121 HydrophobicContact CG-CB 4.32Å; L117-C121 VanDerWaalsContact O-CB 3.32Å; L117-C121 WeakPolarHBondContact O-CB 3.34Å; L117-C121 PolarHBondContact O-N 3.23Å; L117-C121 PolarHBondContact O-SG 2.98Å; I118-C121 PolarHBondContact O-N 3.22Å
122K87Confident92.1Very high99 Ų9947.1 Ų47.143%0.4322%0.224SC..Hα-helixtrans-83.4-43.5-177.5-68.3176.368-1780113.4C71 I118 A119C71-K122 HydrophobicContact CB-CD 3.98Å; C71-K122 HydrophobicContact CB-CG 4.02Å; I118-K122 HydrophobicContact CG2-CD 3.86Å; I118-K122 WeakPolarHBondContact O-CG 3.44Å; I118-K122 PolarHBondContact O-N 3.45Å; A119-K122 PolarHBondContact O-N 3.02Å
123E88.2Confident92Very high112 Ų11247.2 Ų47.252%0.52323%0.225SC..Hα-helixtrans-119.7-7.3-166.6-60.2-179.2-158.900114A119 K125A119-E123 WeakPolarHBondContact O-CA 3.33Å; A119-E123 WeakPolarHBondContact O-CB 3.42Å; A119-E123 PolarHBondContact O-N 3.17Å; E123-K125 HydrophobicContact CB-CB 4.37Å; E123-K125 HydrophobicContact CB-CD 4.38Å; E123-K125 HydrophobicContact CB-CG 4.37Å; E123-K125 PolarHBondContact O-N 3.37Å
124R86.8Confident91.9Very high135 Ų13550.5 Ų50.551%0.50925%0.251SS..SBendtrans56.834.3-173-52.9-66172.6-156.2-1.4112.6A119 F120A119-R124 PolarHBondContact O-N 3.17Å; F120-R124 VanDerWaalsContact O-CA 3.25Å; F120-R124 WeakPolarHBondContact O-CA 3.44Å; F120-R124 WeakPolarHBondContact O-CD 3.46Å; F120-R124 PolarHBondContact O-N 3.43Å; F120-R124 PolarHBondContact O-NH1 3Å
125K90.1Very high91.8Very high128 Ų12851.9 Ų51.956%0.55726%0.26SS*.  trans-124149.6179.1-68.9177.4-174.5172.80111A119 F120 E123A119-K125 CarbonylContact C-O 3.54Å; F120-K125 WeakPolarHBondContact CA-O 3.33Å; F120-K125 PolarHBondContact N-O 3.45Å; E123-K125 HydrophobicContact CB-CB 4.37Å; E123-K125 HydrophobicContact CB-CD 4.38Å; E123-K125 HydrophobicContact CB-CG 4.37Å; E123-K125 PolarHBondContact O-N 3.37Å
126L91.3Very high91.8Very high93 Ų9351.5 Ų51.549%0.48726%0.258SS..PPolyproline II helixtrans-92.9129.7167.9-171.764000108.6C116 L157 L160C116-L126 HydrophobicContact CB-CD1 4.16Å; L126-L157 HydrophobicContact CD1-CD1 4.23Å; L126-L157 HydrophobicContact CD1-CD2 3.64Å; L126-L157 HydrophobicContact CD2-CD1 4.07Å; L126-L157 HydrophobicContact CG-CD1 4.49Å; L126-L160 HydrophobicContact CD1-CD2 3.59Å
127L92.7Very high91.7Very high28 Ų2853.2 Ų53.215%0.14728%0.276CS..PPolyproline II helixtrans-72139.9176.9-61.4179.2000110.1K115 A119 V131 V132 Y153K115-L127 HydrophobicContact CB-CD1 4.47Å; K115-L127 HydrophobicContact CG-CD1 3.57Å; A119-L127 HydrophobicContact CB-CD1 3.8Å; A119-L127 HydrophobicContact CB-CD2 3.61Å; A119-L127 HydrophobicContact CB-CG 3.46Å; A119-L127 VanDerWaalsContact CB-CG 3.46Å; L127-V131 HydrophobicContact CB-CG1 4.41Å; L127-V131 HydrophobicContact CD2-CG1 3.92Å; L127-V132 HydrophobicContact CB-CG2 3.48Å; L127-V132 VanDerWaalsContact CB-CG2 3.48Å; L127-V132 HydrophobicContact CD1-CG2 4.02Å; L127-V132 HydrophobicContact CG-CG2 4.41Å; L127-Y153 PolarHBondContact O-OH 3.35Å
128T93.8Very high91.7Very high71 Ų7153.9 Ų53.944%0.43628%0.28SS..PPolyproline II helixtrans-73.5162.4173.7750000110.8E130 V131 V132T128-E130 VanDerWaalsContact C-N 3.28Å; T128-E130 WeakPolarHBondContact CB-OE2 3.48Å; T128-E130 PolarHBondContact O-N 3.39Å; T128-E130 PolarHBondContact OG1-OE2 3.17Å; T128-V131 PolarHBondContact O-N 3.2Å; T128-V131 VanDerWaalsContact O-N 3.17Å; T128-V131 WeakPolarHBondContact OG1-CG2 3.47Å; T128-V132 WeakPolarHBondContact O-CG2 3.45Å; T128-V132 PolarHBondContact O-N 3.33Å
129F93Very high91.6Very high36 Ų3655.7 Ų55.716%0.15829%0.293CS..Hα-helixtrans-50-46.9178.4178.8-113.3000113.1V132 A133 T140 L148 T149 L150 Y153F129-V132 PolarHBondContact O-N 3.36Å; F129-A133 WeakPolarHBondContact O-CB 3.39Å; F129-A133 PolarHBondContact O-N 3.44Å; F129-T140 HydrophobicContact CD1-CG2 3.88Å; F129-T140 HydrophobicContact CE1-CG2 3.37Å; F129-T140 HydrophobicContact CZ-CG2 3.93Å; F129-L148 HydrophobicContact CD2-CD2 3.83Å; F129-L148 HydrophobicContact CD2-CG 4.37Å; F129-L148 HydrophobicContact CE2-CB 4.43Å; F129-L148 HydrophobicContact CE2-CD2 3.53Å; F129-L148 HydrophobicContact CE2-CG 3.59Å; F129-L148 HydrophobicContact CZ-CD2 4.22Å; F129-L148 HydrophobicContact CZ-CG 4.14Å; F129-L148 WeakPolarHBondContact CZ-O 3.48Å; F129-T149 WeakPolarHBondContact CE2-O 3.41Å; F129-L150 HydrophobicContact CD2-CD1 4.47Å; F129-Y153 HydrophobicContact CD2-CD1 4.26Å; F129-Y153 HydrophobicContact CD2-CD2 4.14Å; F129-Y153 AromaticContact CD2-CG 3.75Å; F129-Y153 HydrophobicContact CD2-CG 3.75Å
130E93.3Very high91.5Very high109 Ų10958.2 Ų58.251%0.50931%0.308SS..Hα-helixtrans-70.1-36.1-177.2-55.373.6-159.500112T128 S134T128-E130 VanDerWaalsContact C-N 3.28Å; T128-E130 WeakPolarHBondContact CB-OE2 3.48Å; T128-E130 PolarHBondContact O-N 3.39Å; T128-E130 PolarHBondContact OG1-OE2 3.17Å; E130-S134 WeakPolarHBondContact O-CB 3.38Å; E130-S134 PolarHBondContact O-N 2.88Å; E130-S134 PolarHBondContact O-OG 3.11Å
131V93.5Very high91.4Very high65 Ų6558.9 Ų58.939%0.39431%0.314SS..Hα-helixtrans-70.6-39.9178.3175.70000110.6L127 T128 S135L127-V131 HydrophobicContact CB-CG1 4.41Å; L127-V131 HydrophobicContact CD2-CG1 3.92Å; T128-V131 PolarHBondContact O-N 3.2Å; T128-V131 VanDerWaalsContact O-N 3.17Å; T128-V131 WeakPolarHBondContact OG1-CG2 3.47Å; V131-S135 VanDerWaalsContact O-CB 3.31Å; V131-S135 WeakPolarHBondContact O-CB 3.39Å; V131-S135 PolarHBondContact O-N 3.3Å; V131-S135 PolarHBondContact O-OG 3.39Å
132V94.3Very high91.3Very high0 Ų064 Ų640%034%0.337CS..Hα-helixtrans-65-47.8175176.10000110.4I112 L127 T128 F129 S134 S135 L136 Y153I112-V132 HydrophobicContact CB-CG1 4.27Å; I112-V132 HydrophobicContact CG1-CG1 3.78Å; I112-V132 HydrophobicContact CG2-CG1 4.16Å; L127-V132 HydrophobicContact CB-CG2 3.48Å; L127-V132 VanDerWaalsContact CB-CG2 3.48Å; L127-V132 HydrophobicContact CD1-CG2 4.02Å; L127-V132 HydrophobicContact CG-CG2 4.41Å; T128-V132 WeakPolarHBondContact O-CG2 3.45Å; T128-V132 PolarHBondContact O-N 3.33Å; F129-V132 PolarHBondContact O-N 3.36Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.17Å; V132-S135 WeakPolarHBondContact O-CB 3.44Å; V132-S135 PolarHBondContact O-N 3.07Å; V132-S135 VanDerWaalsContact O-N 3.1Å; V132-L136 HydrophobicContact CG1-CD1 3.83Å; V132-L136 HydrophobicContact CG1-CG 4.27Å; V132-L136 WeakPolarHBondContact O-CG 3.18Å; V132-L136 PolarHBondContact O-N 2.87Å; V132-Y153 HydrophobicContact CB-CD2 4.49Å; V132-Y153 HydrophobicContact CB-CE2 4.49Å; V132-Y153 HydrophobicContact CG2-CD2 4.38Å; V132-Y153 HydrophobicContact CG2-CE2 3.96Å
133A93.9Very high91.2Very high2 Ų263.7 Ų63.72%0.01734%0.343CS..Hα-helixtrans-55.2-48.6176.700000111.9F129 S135 L136 G137 V138 T140 L148F129-A133 WeakPolarHBondContact O-CB 3.39Å; F129-A133 PolarHBondContact O-N 3.44Å; A133-S135 VanDerWaalsContact C-N 3.31Å; A133-S135 PolarHBondContact O-N 3.42Å; A133-L136 PolarHBondContact O-N 3.1Å; A133-G137 PolarHBondContact O-N 3.16Å; A133-V138 CarbonylContact C-O 3.53Å; A133-V138 HydrophobicContact CB-CG2 4.12Å; A133-V138 PolarHBondContact O-N 3.38Å; A133-T140 HydrophobicContact CB-CG2 3.48Å; A133-T140 VanDerWaalsContact CB-CG2 3.48Å; A133-L148 HydrophobicContact CB-CD2 3.91Å
134S93.1Very high91Very high90 Ų9060.7 Ų60.763%0.62933%0.332SS*.Hα-helixtrans-61.4-38.9177.3-58.30000112.4E130 V132 G137E130-S134 WeakPolarHBondContact O-CB 3.38Å; E130-S134 PolarHBondContact O-N 2.88Å; E130-S134 PolarHBondContact O-OG 3.11Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.17Å; S134-G137 PolarHBondContact O-N 3.19Å
135S92.5Very high90.8Very high28 Ų2854.8 Ų54.820%0.19631%0.312CS..Hα-helixtrans-69.7-32180-63.30000113.3R82 V131 V132 A133R82-S135 VanDerWaalsContact CD-O 3.26Å; R82-S135 WeakPolarHBondContact CD-O 3.46Å; R82-S135 VanDerWaalsContact CG-O 3.28Å; R82-S135 WeakPolarHBondContact CG-O 3.4Å; V131-S135 VanDerWaalsContact O-CB 3.31Å; V131-S135 WeakPolarHBondContact O-CB 3.39Å; V131-S135 PolarHBondContact O-N 3.3Å; V131-S135 PolarHBondContact O-OG 3.39Å; V132-S135 WeakPolarHBondContact O-CB 3.44Å; V132-S135 PolarHBondContact O-N 3.07Å; V132-S135 VanDerWaalsContact O-N 3.1Å; A133-S135 VanDerWaalsContact C-N 3.31Å; A133-S135 PolarHBondContact O-N 3.42Å
136L93.8Very high90.7Very high1 Ų149 Ų491%0.00529%0.287CS..Hα-helixtrans-87.2-11.5177.4-60.9-179.7000112.5F78 V81 L108 L111 I112 V132 A133 V138F78-L136 HydrophobicContact CD1-CD2 3.56Å; F78-L136 HydrophobicContact CE1-CD2 3.43Å; F78-L136 VanDerWaalsContact CE1-CD2 3.43Å; V81-L136 HydrophobicContact CG1-CD2 4.27Å; L108-L136 HydrophobicContact CD1-CD1 3.71Å; L111-L136 HydrophobicContact CB-CD1 4.33Å; L111-L136 HydrophobicContact CB-CD2 4.03Å; I112-L136 HydrophobicContact CG1-CD1 3.88Å; V132-L136 HydrophobicContact CG1-CD1 3.83Å; V132-L136 HydrophobicContact CG1-CG 4.27Å; V132-L136 WeakPolarHBondContact O-CG 3.18Å; V132-L136 PolarHBondContact O-N 2.87Å; A133-L136 PolarHBondContact O-N 3.1Å; L136-V138 HydrophobicContact CB-CG1 4.42Å; L136-V138 HydrophobicContact CB-CG2 4.13Å
137G92Very high90.7Very high36 Ų3645.7 Ų45.737%0.37127%0.269SS..THydrogen-bonded Turntrans75.827.3-178.900000113.2A133 S134A133-G137 PolarHBondContact O-N 3.16Å; S134-G137 PolarHBondContact O-N 3.19Å
138V91.9Very high90.7Very high17 Ų1744.4 Ų44.410%0.10326%0.262CS..  trans-111.4151.9-180-60.10000110.8A85 L108 A133 L136 V146 L148A85-V138 HydrophobicContact CB-CG1 4.01Å; L108-V138 HydrophobicContact CD1-CG1 4.44Å; A133-V138 CarbonylContact C-O 3.53Å; A133-V138 HydrophobicContact CB-CG2 4.12Å; A133-V138 PolarHBondContact O-N 3.38Å; L136-V138 HydrophobicContact CB-CG1 4.42Å; L136-V138 HydrophobicContact CB-CG2 4.13Å; V138-V146 HydrophobicContact CB-CG1 4.33Å; V138-V146 HydrophobicContact CG1-CG1 3.79Å; V138-L148 HydrophobicContact CG2-CB 3.8Å
139S91Very high90.6Very high41 Ų4142 Ų4229%0.28725%0.248SC..BIsolated β-bridgetrans-79.8152.8176.4-170.40000111.1D141 H147 L148S139-D141 WeakPolarHBondContact OG-CB 3.27Å; S139-D141 PolarHBondContact OG-N 2.89Å; S139-H147 CarbonylContact O-C 3.46Å; S139-H147 WeakPolarHBondContact O-CA 3.31Å; S139-H147 WeakPolarHBondContact O-CB 3.48Å; S139-L148 PolarHBondContact O-N 2.95Å
140T90.7Very high90.6Very high61 Ų6145.2 Ų45.237%0.37427%0.266SS..SBendtrans-92.5-4165.254.20000112.3F129 A133F129-T140 HydrophobicContact CD1-CG2 3.88Å; F129-T140 HydrophobicContact CE1-CG2 3.37Å; F129-T140 HydrophobicContact CZ-CG2 3.93Å; A133-T140 HydrophobicContact CB-CG2 3.48Å; A133-T140 VanDerWaalsContact CB-CG2 3.48Å
141D88.8Confident90.6Very high75 Ų7546.4 Ų46.440%0.40127%0.272SS..  trans-87.1123.7-179.3-172.31.7000111.6S139 T143 V144 H147S139-D141 WeakPolarHBondContact OG-CB 3.27Å; S139-D141 PolarHBondContact OG-N 2.89Å; D141-T143 PolarHBondContact O-N 2.82Å; D141-T143 VanDerWaalsContact O-N 3.16Å; D141-T143 WeakPolarHBondContact OD1-CG2 3.49Å; D141-T143 PolarHBondContact OD1-N 3.43Å; D141-T143 PolarHBondContact OD1-OG1 2.89Å; D141-T143 PolarHBondContact OD2-OG1 3.16Å; D141-V144 PolarHBondContact O-N 2.78Å; D141-H147 VanDerWaalsContact O-CB 3.27Å; D141-H147 WeakPolarHBondContact O-CB 3.38Å
142H85.5Confident90.6Very high118 Ų11843.4 Ų43.455%0.54625%0.253SS..THydrogen-bonded Turntrans-65.9-10.3176.7-58.4-64.3000113.8V144 H147H142-V144 PolarHBondContact O-N 2.85Å; H142-H147 AromaticContact ND1-CD2 3.37Å; H142-H147 PolarHBondContact ND1-CD2 2.63Å; H142-H147 AromaticContact ND1-NE2 3.32Å; H142-H147 PolarHBondContact ND1-NE2 3.08Å
143T84.4Confident90.5Very high92 Ų9244.5 Ų44.556%0.56426%0.258SS*.THydrogen-bonded Turntrans-74.6-10.1174.272.50000113.6D141D141-T143 PolarHBondContact O-N 2.82Å; D141-T143 VanDerWaalsContact O-N 3.16Å; D141-T143 WeakPolarHBondContact OD1-CG2 3.49Å; D141-T143 PolarHBondContact OD1-N 3.43Å; D141-T143 PolarHBondContact OD1-OG1 2.89Å; D141-T143 PolarHBondContact OD2-OG1 3.16Å
144V85Confident90.5Very high48 Ų4849.2 Ų49.229%0.29128%0.282SS..SBendtrans-103.2146.3-179.4-173.30000110.6D141 H142 H147D141-V144 PolarHBondContact O-N 2.78Å; H142-V144 PolarHBondContact O-N 2.85Å; V144-H147 PolarHBondContact O-ND1 3.01Å
145S83.1Confident90.5Very high11 Ų1148.3 Ų48.38%0.07727%0.27CS..SBendtrans-61.1-44.6178.9540000113V92 Y104V92-S145 WeakPolarHBondContact O-CB 3.32Å; V92-S145 PolarHBondContact O-OG 3.01Å; Y104-S145 PolarHBondContact OH-O 3.44Å; Y104-S145 VanDerWaalsContact OH-O 3.07Å
146V87.8Confident90.5Very high7 Ų747.2 Ų47.24%0.04226%0.263CS..SBendtrans-99.798.6175.5-177.30000108.5L88 A89 F100 V138L88-V146 HydrophobicContact CB-CG2 3.79Å; A89-V146 HydrophobicContact CB-CB 4.08Å; A89-V146 HydrophobicContact CB-CG2 4.1Å; F100-V146 HydrophobicContact CE1-CG2 3.8Å; F100-V146 HydrophobicContact CZ-CG2 4.31Å; V138-V146 HydrophobicContact CB-CG1 4.33Å; V138-V146 HydrophobicContact CG1-CG1 3.79Å
147H91.2Very high90.4Very high24 Ų2448.3 Ų48.311%0.11127%0.268CS..BIsolated β-bridgetrans-135.5153.8176.466.6-91.2000111.3Y104 S139 D141 H142 V144Y104-H147 PolarHBondContact OH-N 3.4Å; Y104-H147 PolarHBondContact OH-O 3.26Å; S139-H147 CarbonylContact O-C 3.46Å; S139-H147 WeakPolarHBondContact O-CA 3.31Å; S139-H147 WeakPolarHBondContact O-CB 3.48Å; D141-H147 VanDerWaalsContact O-CB 3.27Å; D141-H147 WeakPolarHBondContact O-CB 3.38Å; H142-H147 AromaticContact ND1-CD2 3.37Å; H142-H147 PolarHBondContact ND1-CD2 2.63Å; H142-H147 AromaticContact ND1-NE2 3.32Å; H142-H147 PolarHBondContact ND1-NE2 3.08Å; V144-H147 PolarHBondContact O-ND1 3.01Å
148L91.3Very high90.4Very high0 Ų052.6 Ų52.60%028%0.282CS..  trans-92.6126.3172.6178.667.3000108.9L108 I112 F129 A133 V138 S139 D152L108-L148 HydrophobicContact CD1-CD1 4.46Å; L108-L148 HydrophobicContact CD2-CB 4.45Å; L108-L148 HydrophobicContact CD2-CD1 3.57Å; L108-L148 HydrophobicContact CG-CD1 3.9Å; I112-L148 HydrophobicContact CD1-CD1 3.36Å; I112-L148 HydrophobicContact CG1-CD1 4.27Å; F129-L148 HydrophobicContact CD2-CD2 3.83Å; F129-L148 HydrophobicContact CD2-CG 4.37Å; F129-L148 HydrophobicContact CE2-CB 4.43Å; F129-L148 HydrophobicContact CE2-CD2 3.53Å; F129-L148 HydrophobicContact CE2-CG 3.59Å; F129-L148 HydrophobicContact CZ-CD2 4.22Å; F129-L148 HydrophobicContact CZ-CG 4.14Å; F129-L148 WeakPolarHBondContact CZ-O 3.48Å; A133-L148 HydrophobicContact CB-CD2 3.91Å; V138-L148 HydrophobicContact CG2-CB 3.8Å; S139-L148 PolarHBondContact O-N 2.95Å; L148-D152 HydrophobicContact CD1-CB 3.71Å
149T92.8Very high89.9Confident22 Ų2257.4 Ų57.414%0.13531%0.307CS..  trans-92.1155.5171.674.80000110.8F129 Q151 D152 Y153F129-T149 WeakPolarHBondContact CE2-O 3.41Å; T149-Q151 PolarHBondContact O-N 3.35Å; T149-Q151 PolarHBondContact OG1-N 3.4Å; T149-D152 WeakPolarHBondContact CB-OD2 3.46Å; T149-D152 PolarHBondContact N-OD2 3.14Å; T149-D152 VanDerWaalsContact N-OD2 3.12Å; T149-D152 PolarHBondContact O-N 3.36Å; T149-D152 PolarHBondContact OG1-N 3.5Å; T149-D152 VanDerWaalsContact OG1-N 3.15Å; T149-D152 PolarHBondContact OG1-OD2 3Å; T149-Y153 PolarHBondContact O-N 3.11Å
150L92.8Very high89.8Confident103 Ų10355.9 Ų55.954%0.53930%0.295SS..Hα-helixtrans-58-33.4172.8-179.561.4000111.6F129 Y153 L154F129-L150 HydrophobicContact CD2-CD1 4.47Å; L150-Y153 HydrophobicContact CD1-CD1 4.26Å; L150-Y153 PolarHBondContact O-N 2.94Å; L150-L154 HydrophobicContact CD1-CD1 4.46Å; L150-L154 HydrophobicContact CD1-CG 4.32Å; L150-L154 HydrophobicContact CG-CD1 4.14Å; L150-L154 HydrophobicContact CG-CG 4.43Å; L150-L154 WeakPolarHBondContact O-CG 3.26Å; L150-L154 PolarHBondContact O-N 2.91Å
151Q93Very high89.5Confident133 Ų13356.9 Ų56.962%0.62130%0.303SS*.Hα-helixtrans-62.3-45.8177-179.1176.6-4000111.4T149 Y153 L154 L155T149-Q151 PolarHBondContact O-N 3.35Å; T149-Q151 PolarHBondContact OG1-N 3.4Å; Q151-Y153 VanDerWaalsContact C-N 3.31Å; Q151-Y153 PolarHBondContact O-N 2.89Å; Q151-L154 PolarHBondContact O-N 3.26Å; Q151-L155 HydrophobicContact CG-CD1 3.83Å; Q151-L155 HydrophobicContact CG-CG 4.36Å; Q151-L155 WeakPolarHBondContact O-CB 3.39Å; Q151-L155 VanDerWaalsContact O-CG 3.3Å; Q151-L155 WeakPolarHBondContact O-CG 3.42Å; Q151-L155 PolarHBondContact O-N 3.21Å
152D93.3Very high89.3Confident2 Ų256.4 Ų56.41%0.01131%0.309CS..Hα-helixtrans-61.2-41.7177.2-59.6-50.2000111.9H101 Q109 I112 L148 T149 L155 G156H101-D152 IonicContact CE1-OD2 3.42Å; H101-D152 PolarHBondContact CE1-OD2 2.9Å; H101-D152 IonicContact NE2-OD1 2.81Å; H101-D152 IonicContact NE2-OD2 2.61Å; H101-D152 PolarHBondContact NE2-OD2 3.05Å; H101-D152 VanDerWaalsContact NE2-OD2 3.13Å; Q109-D152 HydrophobicContact CG-CB 4.07Å; Q109-D152 PolarHBondContact NE2-OD1 3.13Å; I112-D152 HydrophobicContact CD1-CB 4.14Å; I112-D152 WeakPolarHBondContact CD1-O 3.41Å; L148-D152 HydrophobicContact CD1-CB 3.71Å; T149-D152 WeakPolarHBondContact CB-OD2 3.46Å; T149-D152 PolarHBondContact N-OD2 3.14Å; T149-D152 VanDerWaalsContact N-OD2 3.12Å; T149-D152 PolarHBondContact O-N 3.36Å; T149-D152 PolarHBondContact OG1-N 3.5Å; T149-D152 VanDerWaalsContact OG1-N 3.15Å; T149-D152 PolarHBondContact OG1-OD2 3Å; D152-L155 PolarHBondContact O-N 3.37Å; D152-G156 PolarHBondContact O-N 3.47Å
153Y93.3Very high89Confident24 Ų2452.3 Ų52.39%0.09429%0.29CS..Hα-helixtrans-60.6-47.9176.7174-98.8000112I112 L127 F129 V132 T149 L150 Q151 G156 L157I112-Y153 HydrophobicContact CG2-CD2 4.05Å; L127-Y153 PolarHBondContact O-OH 3.35Å; F129-Y153 HydrophobicContact CD2-CD1 4.26Å; F129-Y153 HydrophobicContact CD2-CD2 4.14Å; F129-Y153 AromaticContact CD2-CG 3.75Å; F129-Y153 HydrophobicContact CD2-CG 3.75Å; V132-Y153 HydrophobicContact CB-CD2 4.49Å; V132-Y153 HydrophobicContact CB-CE2 4.49Å; V132-Y153 HydrophobicContact CG2-CD2 4.38Å; V132-Y153 HydrophobicContact CG2-CE2 3.96Å; T149-Y153 PolarHBondContact O-N 3.11Å; L150-Y153 HydrophobicContact CD1-CD1 4.26Å; L150-Y153 PolarHBondContact O-N 2.94Å; Q151-Y153 VanDerWaalsContact C-N 3.31Å; Q151-Y153 PolarHBondContact O-N 2.89Å; Y153-G156 PolarHBondContact O-N 3.44Å; Y153-L157 HydrophobicContact CD1-CD1 4.15Å; Y153-L157 HydrophobicContact CE1-CD1 3.5Å; Y153-L157 VanDerWaalsContact CE1-CD1 3.5Å; Y153-L157 HydrophobicContact CE1-CG 4.47Å; Y153-L157 HydrophobicContact CE2-CD1 4.04Å; Y153-L157 HydrophobicContact CE2-CG 4.44Å; Y153-L157 VanDerWaalsContact CZ-CD1 3.44Å; Y153-L157 WeakPolarHBondContact O-CG 3.36Å; Y153-L157 PolarHBondContact O-N 2.94Å; Y153-L157 VanDerWaalsContact O-N 3.09Å
154L93.9Very high88.9Confident101 Ų10149.1 Ų49.153%0.52927%0.27SS..Hα-helixtrans-66.2-38.5178.7-66.5175.2000112.3L150 Q151 L157 L158L150-L154 HydrophobicContact CD1-CD1 4.46Å; L150-L154 HydrophobicContact CD1-CG 4.32Å; L150-L154 HydrophobicContact CG-CD1 4.14Å; L150-L154 HydrophobicContact CG-CG 4.43Å; L150-L154 WeakPolarHBondContact O-CG 3.26Å; L150-L154 PolarHBondContact O-N 2.91Å; Q151-L154 PolarHBondContact O-N 3.26Å; L154-L157 PolarHBondContact O-N 2.84Å; L154-L158 PolarHBondContact O-N 3.06Å
155L93.7Very high88.7Confident71 Ų7150.7 Ų50.737%0.37228%0.279SS..Hα-helixtrans-66.7-41.2176.6-73.5173.3000111.9Q109 Q151 D152 L157 L158Q109-L155 HydrophobicContact CG-CB 4Å; Q151-L155 HydrophobicContact CG-CD1 3.83Å; Q151-L155 HydrophobicContact CG-CG 4.36Å; Q151-L155 WeakPolarHBondContact O-CB 3.39Å; Q151-L155 VanDerWaalsContact O-CG 3.3Å; Q151-L155 WeakPolarHBondContact O-CG 3.42Å; Q151-L155 PolarHBondContact O-N 3.21Å; D152-L155 PolarHBondContact O-N 3.37Å; L155-L157 VanDerWaalsContact C-N 3.26Å; L155-L157 PolarHBondContact O-N 3.02Å; L155-L158 VanDerWaalsContact O-CB 3.26Å; L155-L158 WeakPolarHBondContact O-CB 3.36Å; L155-L158 PolarHBondContact O-N 3.31Å
156G91.8Very high88.4Confident4 Ų452.1 Ų52.14%0.04129%0.289CS..Hα-helixtrans-62.6-32.6173.600000112.9Q109 F113 D152 Y153Q109-G156 VanDerWaalsContact O-CA 3.23Å; Q109-G156 WeakPolarHBondContact O-CA 3.4Å; F113-G156 VanDerWaalsContact CB-O 3.3Å; F113-G156 WeakPolarHBondContact CB-O 3.39Å; D152-G156 PolarHBondContact O-N 3.47Å; Y153-G156 PolarHBondContact O-N 3.44Å
157L91.9Very high87.7Confident24 Ų2452.7 Ų52.713%0.12629%0.293CS..Hα-helixtrans-78.7-15.8176.5-70.8-173.8000114.7C116 L126 Y153 L154 L155 L159 L160 P161C116-L157 HydrophobicContact CB-CD2 3.71Å; C116-L157 VanDerWaalsContact SG-CD2 3.54Å; L126-L157 HydrophobicContact CD1-CD1 4.23Å; L126-L157 HydrophobicContact CD1-CD2 3.64Å; L126-L157 HydrophobicContact CD2-CD1 4.07Å; L126-L157 HydrophobicContact CG-CD1 4.49Å; Y153-L157 HydrophobicContact CD1-CD1 4.15Å; Y153-L157 HydrophobicContact CE1-CD1 3.5Å; Y153-L157 VanDerWaalsContact CE1-CD1 3.5Å; Y153-L157 HydrophobicContact CE1-CG 4.47Å; Y153-L157 HydrophobicContact CE2-CD1 4.04Å; Y153-L157 HydrophobicContact CE2-CG 4.44Å; Y153-L157 VanDerWaalsContact CZ-CD1 3.44Å; Y153-L157 WeakPolarHBondContact O-CG 3.36Å; Y153-L157 PolarHBondContact O-N 2.94Å; Y153-L157 VanDerWaalsContact O-N 3.09Å; L154-L157 PolarHBondContact O-N 2.84Å; L155-L157 VanDerWaalsContact C-N 3.26Å; L155-L157 PolarHBondContact O-N 3.02Å; L157-L159 PolarHBondContact O-N 3.06Å; L157-L160 HydrophobicContact CD2-CD2 3.9Å; L157-L160 WeakPolarHBondContact O-CB 3.48Å; L157-L160 PolarHBondContact O-N 2.98Å; L157-P161 WeakPolarHBondContact O-CD 3.42Å
158L90.8Very high86.8Confident127 Ų12756.7 Ų56.767%0.66532%0.315SS*.THydrogen-bonded Turntrans-58.4-37.1-170.7-17662000112.9L154 L155L154-L158 PolarHBondContact O-N 3.06Å; L155-L158 VanDerWaalsContact O-CB 3.26Å; L155-L158 WeakPolarHBondContact O-CB 3.36Å; L155-L158 PolarHBondContact O-N 3.31Å
159L82.7Confident86.1Confident117 Ų11761.2 Ų61.261%0.61334%0.338SS*.THydrogen-bonded Turntrans-89.8-9.6-179-62.7179.9000113.8F113 L157 A162 E163F113-L159 HydrophobicContact CD2-CB 4.25Å; F113-L159 HydrophobicContact CE2-CB 4.09Å; L157-L159 PolarHBondContact O-N 3.06Å; L159-A162 PolarHBondContact O-N 2.89Å; L159-E163 PolarHBondContact O-N 2.82Å
160L87.4Confident85Confident9 Ų965 Ų655%0.04735%0.35CS..Hα-helixtrans-58.2-46.7-176.5-173.667.6000112.7F113 C116 L117 L126 L157 A162 E163 L164F113-L160 HydrophobicContact CD2-CB 4.37Å; F113-L160 HydrophobicContact CD2-CD1 4.49Å; F113-L160 HydrophobicContact CE2-CB 4.45Å; F113-L160 HydrophobicContact CE2-CD1 4.34Å; C116-L160 HydrophobicContact CB-CD2 3.98Å; L117-L160 HydrophobicContact CB-CD1 3.97Å; L117-L160 HydrophobicContact CD1-CD1 4.06Å; L126-L160 HydrophobicContact CD1-CD2 3.59Å; L157-L160 HydrophobicContact CD2-CD2 3.9Å; L157-L160 WeakPolarHBondContact O-CB 3.48Å; L157-L160 PolarHBondContact O-N 2.98Å; L160-A162 VanDerWaalsContact C-N 3.29Å; L160-A162 PolarHBondContact O-N 2.9Å; L160-E163 PolarHBondContact O-N 3.37Å; L160-L164 HydrophobicContact CD1-CG 4.38Å; L160-L164 HydrophobicContact CG-CD1 4.1Å; L160-L164 HydrophobicContact CG-CG 4.34Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.43Å; L160-L164 PolarHBondContact O-N 3.43Å
161P85.5Confident83.9Confident82 Ų8266.4 Ų66.453%0.53235%0.349SS..Hα-helixtrans-59.1-38.4178.9-24.735.3000113.6L157 L164 V165L157-P161 WeakPolarHBondContact O-CD 3.42Å; P161-L164 PolarHBondContact O-N 3.12Å; P161-V165 WeakPolarHBondContact O-CG2 3.39Å; P161-V165 PolarHBondContact O-N 2.89Å
162A83.6Confident83Confident65 Ų6562.9 Ų62.954%0.53734%0.339SS..Hα-helixtrans-64.4-43.5179.400000111.2L159 L160 L164 V165 C166L159-A162 PolarHBondContact O-N 2.89Å; L160-A162 VanDerWaalsContact C-N 3.29Å; L160-A162 PolarHBondContact O-N 2.9Å; A162-L164 VanDerWaalsContact C-N 3.34Å; A162-L164 PolarHBondContact O-N 3.25Å; A162-V165 PolarHBondContact O-N 3.02Å; A162-C166 PolarHBondContact O-N 3.07Å
163E80.7Confident81.8Confident32 Ų3267.8 Ų67.815%0.1536%0.364CS..Hα-helixtrans-66.5-37.5178.7-162.973.8164.400112.4Q56 H59 F113 L117 L159 L160 C166 C167Q56-E163 PolarHBondContact NE2-OE1 3.17Å; H59-E163 IonicContact CD2-OE1 3.25Å; H59-E163 IonicContact CE1-OE1 3.13Å; H59-E163 PolarHBondContact CE1-OE1 2.99Å; H59-E163 IonicContact NE2-OE1 3.84Å; H59-E163 PolarHBondContact NE2-OE1 2.96Å; H59-E163 IonicContact NE2-OE2 2.57Å; F113-E163 HydrophobicContact CE2-CB 4.06Å; F113-E163 HydrophobicContact CZ-CB 3.86Å; F113-E163 HydrophobicContact CZ-CG 3.83Å; L117-E163 HydrophobicContact CD1-CG 4.14Å; L117-E163 HydrophobicContact CD2-CG 4.07Å; L159-E163 PolarHBondContact O-N 2.82Å; L160-E163 PolarHBondContact O-N 3.37Å; E163-C166 WeakPolarHBondContact O-CB 3.38Å; E163-C166 PolarHBondContact O-N 3.02Å; E163-C167 PolarHBondContact O-N 3.39Å; E163-C167 PolarHBondContact O-SG 3.5Å
164L82.2Confident80.5Confident26 Ų2668.7 Ų68.714%0.13638%0.376CS..Hα-helixtrans-66.1-40.6176.3-66.9179.5000112.1L117 F120 L160 P161 A162 C166 C167 L168L117-L164 HydrophobicContact CD1-CD2 4.04Å; F120-L164 HydrophobicContact CB-CD2 4.38Å; F120-L164 HydrophobicContact CD1-CD1 3.69Å; F120-L164 HydrophobicContact CD1-CD2 3.15Å; F120-L164 HydrophobicContact CD1-CG 4.03Å; F120-L164 HydrophobicContact CD2-CD1 3.99Å; F120-L164 HydrophobicContact CE1-CD1 3.56Å; F120-L164 HydrophobicContact CE1-CD2 3.49Å; F120-L164 VanDerWaalsContact CE1-CD2 3.49Å; F120-L164 HydrophobicContact CE1-CG 4.06Å; F120-L164 HydrophobicContact CE2-CD1 3.87Å; F120-L164 HydrophobicContact CG-CD1 3.89Å; F120-L164 HydrophobicContact CG-CD2 3.87Å; F120-L164 HydrophobicContact CZ-CD1 3.65Å; F120-L164 HydrophobicContact CZ-CD2 4.44Å; L160-L164 HydrophobicContact CD1-CG 4.38Å; L160-L164 HydrophobicContact CG-CD1 4.1Å; L160-L164 HydrophobicContact CG-CG 4.34Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.43Å; L160-L164 PolarHBondContact O-N 3.43Å; P161-L164 PolarHBondContact O-N 3.12Å; A162-L164 VanDerWaalsContact C-N 3.34Å; A162-L164 PolarHBondContact O-N 3.25Å; L164-C166 VanDerWaalsContact C-N 3.32Å; L164-C167 PolarHBondContact O-N 3.38Å; L164-L168 VanDerWaalsContact O-CG 3.27Å; L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.85Å
165V80.1Confident78.9Confident81 Ų8169.9 Ų69.949%0.49138%0.384SS..Hα-helixtrans-61.7-43.5173.6171.20000110.4P161 A162 C167 L168 I169P161-V165 WeakPolarHBondContact O-CG2 3.39Å; P161-V165 PolarHBondContact O-N 2.89Å; A162-V165 PolarHBondContact O-N 3.02Å; V165-C167 PolarHBondContact O-N 3.36Å; V165-L168 PolarHBondContact O-N 3.25Å; V165-I169 HydrophobicContact CG1-CD1 3.79Å; V165-I169 HydrophobicContact CG1-CG1 4.39Å; V165-I169 VanDerWaalsContact O-CG1 3.32Å; V165-I169 WeakPolarHBondContact O-CG1 3.42Å; V165-I169 PolarHBondContact O-N 3.45Å
166C76.4Confident77.4Confident41 Ų4174.9 Ų74.928%0.27740%0.403SS..Hα-helixtrans-57.5-49.6176.1-161.60000111.4A162 E163 L164 L168 I169 Y170A162-C166 PolarHBondContact O-N 3.07Å; E163-C166 WeakPolarHBondContact O-CB 3.38Å; E163-C166 PolarHBondContact O-N 3.02Å; L164-C166 VanDerWaalsContact C-N 3.32Å; C166-L168 VanDerWaalsContact C-N 3.31Å; C166-L168 PolarHBondContact O-N 3.33Å; C166-I169 PolarHBondContact O-N 2.97Å; C166-Y170 WeakPolarHBondContact O-CD2 3.34Å; C166-Y170 PolarHBondContact O-N 3.03Å; C166-Y170 WeakPolarHBondContact SG-CE2 3.23Å
167C72.9Confident75.5Confident18 Ų1881.9 Ų81.912%0.12245%0.451CS..Hα-helixtrans-59.6-38.8176.2-67.40000112.8E163 L164 V165 R171E163-C167 PolarHBondContact O-N 3.39Å; E163-C167 PolarHBondContact O-SG 3.5Å; L164-C167 PolarHBondContact O-N 3.38Å; V165-C167 PolarHBondContact O-N 3.36Å; C167-R171 WeakPolarHBondContact O-CB 3.45Å; C167-R171 PolarHBondContact O-N 3.19Å
168L73.5Confident74.6Confident109 Ų10984.8 Ų84.857%0.57147%0.467SS*.Hα-helixtrans-68.4-38.4177.5-72.2173.1000112.2L164 V165 C166 R171 S172L164-L168 VanDerWaalsContact O-CG 3.27Å; L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.85Å; V165-L168 PolarHBondContact O-N 3.25Å; C166-L168 VanDerWaalsContact C-N 3.31Å; C166-L168 PolarHBondContact O-N 3.33Å; L168-R171 PolarHBondContact O-N 3.13Å; L168-S172 PolarHBondContact O-N 3.09Å
169I75.1Confident73.8Confident95 Ų9582.5 Ų82.549%0.48746%0.456SS..Hα-helixtrans-64.3-48.1175.4-68.3166.6000110V165 C166 R171 S172 L173V165-I169 HydrophobicContact CG1-CD1 3.79Å; V165-I169 HydrophobicContact CG1-CG1 4.39Å; V165-I169 VanDerWaalsContact O-CG1 3.32Å; V165-I169 WeakPolarHBondContact O-CG1 3.42Å; V165-I169 PolarHBondContact O-N 3.45Å; C166-I169 PolarHBondContact O-N 2.97Å; I169-R171 PolarHBondContact O-N 2.94Å; I169-S172 WeakPolarHBondContact O-CB 3.4Å; I169-S172 PolarHBondContact O-N 2.7Å; I169-S172 VanDerWaalsContact O-N 3.08Å; I169-L173 HydrophobicContact CG2-CD1 4.19Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.42Å
170Y71.4Confident73.3Confident102 Ų10280.6 Ų80.640%0.445%0.448SS..Hα-helixtrans-58.9-37.9175.6-77.1-64.1000112.2H59 C166 L173 A174H59-Y170 HydrophobicContact CB-CD2 4.41Å; H59-Y170 HydrophobicContact CB-CE2 3.93Å; H59-Y170 AromaticContact CG-CE2 3.99Å; H59-Y170 AromaticContact ND1-CD2 3.57Å; H59-Y170 AromaticContact ND1-CE2 3.45Å; H59-Y170 WeakPolarHBondContact ND1-CE2 3.16Å; C166-Y170 WeakPolarHBondContact O-CD2 3.34Å; C166-Y170 PolarHBondContact O-N 3.03Å; C166-Y170 WeakPolarHBondContact SG-CE2 3.23Å; Y170-L173 PolarHBondContact O-N 2.92Å; Y170-A174 WeakPolarHBondContact O-CB 3.27Å; Y170-A174 PolarHBondContact O-N 3.11Å
171R70Confident72.5Confident132 Ų13284.8 Ų84.850%0.49847%0.471SS..Hα-helixtrans-66.4-39.3175.3-171.8176-177.8-176.1-0.3112.5L64 C167 L168 I169 L173 N175L64-R171 HydrophobicContact CD1-CB 3.66Å; L64-R171 HydrophobicContact CD1-CG 4.19Å; C167-R171 WeakPolarHBondContact O-CB 3.45Å; C167-R171 PolarHBondContact O-N 3.19Å; L168-R171 PolarHBondContact O-N 3.13Å; I169-R171 PolarHBondContact O-N 2.94Å; R171-L173 VanDerWaalsContact C-N 3.35Å; R171-N175 VanDerWaalsContact O-CG 3.3Å; R171-N175 PolarHBondContact O-N 3.49Å; R171-N175 PolarHBondContact O-ND2 3.11Å; R171-N175 VanDerWaalsContact O-ND2 3.13Å
172S72.2Confident71.6Confident59 Ų5985 Ų8541%0.41347%0.468SS..Hα-helixtrans-61.9-46174.7-170.80000110.6L168 I169 N175 F176L168-S172 PolarHBondContact O-N 3.09Å; I169-S172 WeakPolarHBondContact O-CB 3.4Å; I169-S172 PolarHBondContact O-N 2.7Å; I169-S172 VanDerWaalsContact O-N 3.08Å; S172-N175 PolarHBondContact O-N 3.29Å; S172-F176 WeakPolarHBondContact O-CD2 3.41Å
173L68.2Low70.8Confident104 Ų10486.3 Ų86.355%0.54546%0.463SS..Hα-helixtrans-63.7-42.3179.7-67.4173.5000112.3I169 Y170 R171 N175 F176I169-L173 HydrophobicContact CG2-CD1 4.19Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.42Å; Y170-L173 PolarHBondContact O-N 2.92Å; R171-L173 VanDerWaalsContact C-N 3.35Å; L173-N175 PolarHBondContact O-N 3.21Å; L173-F176 PolarHBondContact O-N 2.99Å
174A66.3Low70.1Confident43 Ų4390.2 Ų90.236%0.35549%0.485SS..Hα-helixtrans-65.2-23.7177.800000113.7Y170 F176 S177Y170-A174 WeakPolarHBondContact O-CB 3.27Å; Y170-A174 PolarHBondContact O-N 3.11Å; A174-F176 VanDerWaalsContact C-N 3.32Å; A174-S177 PolarHBondContact O-OG 3.36Å; A174-S177 VanDerWaalsContact O-OG 3.13Å
175N61.7Low69.2Low127 Ų12795.2 Ų95.268%0.67951%0.512SS*.THydrogen-bonded Turntrans-80.9-11.6174.5-69.4-33000113.2R171 S172 L173R171-N175 VanDerWaalsContact O-CG 3.3Å; R171-N175 PolarHBondContact O-N 3.49Å; R171-N175 PolarHBondContact O-ND2 3.11Å; R171-N175 VanDerWaalsContact O-ND2 3.13Å; S172-N175 PolarHBondContact O-N 3.29Å; L173-N175 PolarHBondContact O-N 3.21Å
176F60.8Low68.3Low176 Ų17696.3 Ų96.377%0.77251%0.514SS*.THydrogen-bonded Turntrans-97.3-9.3177.9-75.5-69.2000113.6S172 L173 A174S172-F176 WeakPolarHBondContact O-CD2 3.41Å; L173-F176 PolarHBondContact O-N 2.99Å; A174-F176 VanDerWaalsContact C-N 3.32Å
177S51.3Low67.6Low150 Ų150101.4 Ų101.4100%1.04954%0.535SS*.  trans-101.90175.954.60000111.7A174A174-S177 PolarHBondContact O-OG 3.36Å; A174-S177 VanDerWaalsContact O-OG 3.13Å

Retrieved 177 of 177 residues in 114.6 ms (Link to these results)