A0A087WV19_HUMAN Loading...

NBPF member 14

AlphaFold DB , UniProt , Accession A0A087WV19, Species HUMAN (Homo sapiens, Human), Gene NBPF14, Length 299 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
1M45.9Very low53.4Low240 Ų240129.6 Ų129.6100%1.18276%0.762SS**  0101.70-88.2174.6178.800107.6
2V44.1Very low54.2Low138 Ų138130.7 Ų130.784%0.83675%0.75SS**  trans-86.6112.3172.7169.90000106.2S4V2-S4 PolarHBondContact O-N 3.14Å; V2-S4 VanDerWaalsContact O-N 3.14Å
3V49.1Very low54.9Low136 Ų136124.8 Ų124.882%0.82473%0.728SS**  trans-75.796.2170.9177.20000106A5V3-A5 PolarHBondContact O-N 3.07Å
4S47.9Very low55.4Low107 Ų107124 Ų12475%0.74871%0.713SS**  trans-66.2105.3166.8-83.30000108V2 G6V2-S4 PolarHBondContact O-N 3.14Å; V2-S4 VanDerWaalsContact O-N 3.14Å; S4-G6 PolarHBondContact O-N 3.16Å; S4-G6 VanDerWaalsContact O-N 3.16Å
5A57.2Low56.2Low95 Ų95125 Ų12579%0.78571%0.711SS**  trans-61.9111158.700000106.9V3V3-A5 PolarHBondContact O-N 3.07Å
6G56Low57.2Low57 Ų57122.7 Ų122.759%0.58870%0.696SS**PPolyproline II helixtrans-59.1155.3174.500000110.7S4 W8S4-G6 PolarHBondContact O-N 3.16Å; S4-G6 VanDerWaalsContact O-N 3.16Å; G6-W8 PolarHBondContact O-N 3.12Å; G6-W8 VanDerWaalsContact O-N 3.12Å
7P51.8Low58.3Low130 Ų130121.5 Ų121.584%0.84469%0.686SS**PPolyproline II helixtrans-60.3120.9-179.3-4.217.1000108.4S9P7-S9 PolarHBondContact O-N 3.32Å; P7-S9 VanDerWaalsContact O-N 3.15Å
8W55.3Low59.5Low229 Ų229121.7 Ų121.787%0.86769%0.685SS**PPolyproline II helixtrans-59.1118.6166.3-137.1-61.5000106.3G6 S10G6-W8 PolarHBondContact O-N 3.12Å; G6-W8 VanDerWaalsContact O-N 3.12Å; W8-S10 PolarHBondContact O-N 3.15Å
9S59.7Low60.4Low64 Ų64121.8 Ų121.845%0.44868%0.679SS.*PPolyproline II helixtrans-62.3129.9-171.367.40000110.8P7 E11 K12P7-S9 PolarHBondContact O-N 3.32Å; P7-S9 VanDerWaalsContact O-N 3.15Å; S9-E11 PolarHBondContact O-N 3.3Å; S9-K12 PolarHBondContact O-N 3.09Å; S9-K12 VanDerWaalsContact O-N 3.12Å; S9-K12 WeakPolarHBondContact OG-CB 3.41Å
10S60.7Low61.4Low81 Ų81119.7 Ų119.757%0.56667%0.665SS**Hα-helixtrans-56.9-35.9178.263.30000111.4W8 K12 A13 E14W8-S10 PolarHBondContact O-N 3.15Å; S10-K12 VanDerWaalsContact C-N 3.3Å; S10-K12 PolarHBondContact O-N 3.25Å; S10-A13 PolarHBondContact O-N 3.34Å; S10-A13 VanDerWaalsContact O-N 3.09Å; S10-E14 WeakPolarHBondContact O-CB 3.45Å; S10-E14 WeakPolarHBondContact O-CG 3.14Å; S10-E14 PolarHBondContact O-N 3.41Å
11E59.5Low62.5Low149 Ų149117.4 Ų117.470%0.69665%0.652SS**Hα-helixtrans-59.8-34.9178.5-164.5165.3-165.100113S9 M15S9-E11 PolarHBondContact O-N 3.3Å; E11-M15 VanDerWaalsContact O-CB 3.26Å; E11-M15 WeakPolarHBondContact O-CB 3.49Å; E11-M15 PolarHBondContact O-N 3.12Å
12K63Low64.4Low142 Ų142113.3 Ų113.362%0.61763%0.63SS**Hα-helixtrans-74.5-30.7176.7-170.7173.1-176.7174.70112.5S9 S10 N16S9-K12 PolarHBondContact O-N 3.09Å; S9-K12 VanDerWaalsContact O-N 3.12Å; S9-K12 WeakPolarHBondContact OG-CB 3.41Å; S10-K12 VanDerWaalsContact C-N 3.3Å; S10-K12 PolarHBondContact O-N 3.25Å; K12-N16 PolarHBondContact O-N 2.85Å
13A63.8Low66.5Low55 Ų55110.3 Ų110.346%0.45561%0.612SS.*Hα-helixtrans-76.9-38.1174.300000111.5S10 N16 I17S10-A13 PolarHBondContact O-N 3.34Å; S10-A13 VanDerWaalsContact O-N 3.09Å; A13-N16 WeakPolarHBondContact O-CB 3.34Å; A13-N16 PolarHBondContact O-N 2.94Å; A13-I17 WeakPolarHBondContact O-CG1 3.31Å; A13-I17 PolarHBondContact O-N 3.07Å
14E61.7Low68.3Low113 Ų113108.2 Ų108.253%0.52860%0.596SS.*Hα-helixtrans-67-41.8175.4-74.9170.7-164.300112.2S10 N16 I17 L18S10-E14 WeakPolarHBondContact O-CB 3.45Å; S10-E14 WeakPolarHBondContact O-CG 3.14Å; S10-E14 PolarHBondContact O-N 3.41Å; E14-N16 PolarHBondContact O-N 3.18Å; E14-I17 PolarHBondContact O-N 2.98Å; E14-L18 PolarHBondContact O-N 3.31Å
15M66.7Low70.4Confident139 Ų139112 Ų11269%0.68559%0.594SS**Hα-helixtrans-57.7-39.6172.9-161.795.3143.300111.3E11 L18 E19E11-M15 VanDerWaalsContact O-CB 3.26Å; E11-M15 WeakPolarHBondContact O-CB 3.49Å; E11-M15 PolarHBondContact O-N 3.12Å; M15-L18 PolarHBondContact O-N 3.05Å; M15-E19 WeakPolarHBondContact O-CB 3.1Å; M15-E19 PolarHBondContact O-N 3.5Å
16N72.4Confident72Confident88 Ų88111.2 Ų111.247%0.47158%0.58SS.*Hα-helixtrans-68.5-38.6178.2-160.7-86.8000112K12 A13 E14 I20K12-N16 PolarHBondContact O-N 2.85Å; A13-N16 WeakPolarHBondContact O-CB 3.34Å; A13-N16 PolarHBondContact O-N 2.94Å; E14-N16 PolarHBondContact O-N 3.18Å; N16-I20 VanDerWaalsContact O-CB 3.31Å; N16-I20 WeakPolarHBondContact O-CB 3.31Å; N16-I20 VanDerWaalsContact O-CD1 3.31Å; N16-I20 WeakPolarHBondContact O-CD1 3.41Å; N16-I20 WeakPolarHBondContact O-CG1 3.36Å; N16-I20 PolarHBondContact O-N 3Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.26Å
17I76.4Confident73.8Confident103 Ų103113.5 Ų113.553%0.52858%0.576SS.*Hα-helixtrans-68.5-39.6176.6-67.8166.6000111.6A13 E14 N21A13-I17 WeakPolarHBondContact O-CG1 3.31Å; A13-I17 PolarHBondContact O-N 3.07Å; E14-I17 PolarHBondContact O-N 2.98Å; I17-N21 WeakPolarHBondContact O-CB 3.26Å; I17-N21 PolarHBondContact O-N 3.24Å
18L79.4Confident75.8Confident125 Ų125112.1 Ų112.165%0.65456%0.561SS**Hα-helixtrans-65.5-47.3176.9-96.7151.4000111.9E14 M15 I20 N21 E22E14-L18 PolarHBondContact O-N 3.31Å; M15-L18 PolarHBondContact O-N 3.05Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 3.06Å; L18-N21 WeakPolarHBondContact O-CB 3.37Å; L18-N21 PolarHBondContact O-N 3.36Å; L18-N21 VanDerWaalsContact O-N 3.1Å; L18-E22 WeakPolarHBondContact O-CB 3.46Å; L18-E22 PolarHBondContact O-N 3.42Å
19E76Confident77.6Confident123 Ų123104 Ų10458%0.57554%0.542SS*.Hα-helixtrans-63.5-38.5177.9-170.4176-158.700112M15 E22 T23M15-E19 WeakPolarHBondContact O-CB 3.1Å; M15-E19 PolarHBondContact O-N 3.5Å; E19-E22 PolarHBondContact O-N 3.33Å; E19-T23 PolarHBondContact O-N 3.03Å; E19-T23 PolarHBondContact O-OG1 3.43Å; E19-T23 VanDerWaalsContact O-OG1 3.06Å
20I80.8Confident79.3Confident80 Ų80106.2 Ų106.241%0.4155%0.546SS..Hα-helixtrans-65.4-39.6171.9-70.9168.4000111.2N16 L18 T23 L24N16-I20 VanDerWaalsContact O-CB 3.31Å; N16-I20 WeakPolarHBondContact O-CB 3.31Å; N16-I20 VanDerWaalsContact O-CD1 3.31Å; N16-I20 WeakPolarHBondContact O-CD1 3.41Å; N16-I20 WeakPolarHBondContact O-CG1 3.36Å; N16-I20 PolarHBondContact O-N 3Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.26Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 3.06Å; I20-T23 PolarHBondContact O-N 3.46Å; I20-T23 PolarHBondContact O-OG1 2.99Å; I20-L24 HydrophobicContact CG2-CD1 3.5Å; I20-L24 VanDerWaalsContact CG2-CD1 3.5Å; I20-L24 HydrophobicContact CG2-CG 4.13Å; I20-L24 WeakPolarHBondContact O-CB 3.44Å; I20-L24 VanDerWaalsContact O-CG 3.26Å; I20-L24 WeakPolarHBondContact O-CG 3.38Å; I20-L24 PolarHBondContact O-N 2.9Å
21N84.7Confident81Confident72 Ų72108.9 Ų108.939%0.38555%0.547SS..Hα-helixtrans-67.3-39.6177.4-114.9-64.7000112.6I17 L18 T23 L24 R25I17-N21 WeakPolarHBondContact O-CB 3.26Å; I17-N21 PolarHBondContact O-N 3.24Å; L18-N21 WeakPolarHBondContact O-CB 3.37Å; L18-N21 PolarHBondContact O-N 3.36Å; L18-N21 VanDerWaalsContact O-N 3.1Å; N21-T23 PolarHBondContact O-N 3.48Å; N21-L24 PolarHBondContact O-N 3.1Å; N21-R25 WeakPolarHBondContact O-CG 3.07Å; N21-R25 PolarHBondContact O-N 2.96Å
22E86.1Confident82.7Confident153 Ų153107.3 Ų107.372%0.71554%0.538SS*.Hα-helixtrans-63.1-31.1178.9-161173.4-165.700111.7L18 E19 P26L18-E22 WeakPolarHBondContact O-CB 3.46Å; L18-E22 PolarHBondContact O-N 3.42Å; E19-E22 PolarHBondContact O-N 3.33Å; E22-P26 WeakPolarHBondContact O-CD 3.49Å; E22-P26 WeakPolarHBondContact O-CG 3.32Å
23T87.3Confident84.3Confident75 Ų75104.3 Ų104.346%0.4653%0.526SS..Hα-helixtrans-88.7-31.9177.552.80000114.1E19 I20 N21 Q27E19-T23 PolarHBondContact O-N 3.03Å; E19-T23 PolarHBondContact O-OG1 3.43Å; E19-T23 VanDerWaalsContact O-OG1 3.06Å; I20-T23 PolarHBondContact O-N 3.46Å; I20-T23 PolarHBondContact O-OG1 2.99Å; N21-T23 PolarHBondContact O-N 3.48Å; T23-Q27 WeakPolarHBondContact O-CG 3.26Å; T23-Q27 PolarHBondContact O-NE2 3.42Å
24L88.5Confident85.8Confident92 Ų92106.4 Ų106.448%0.48253%0.526SS..Hα-helixtrans-77.6-35.9-178.8-74.7174.6000114I20 N21 Q27 L28I20-L24 HydrophobicContact CG2-CD1 3.5Å; I20-L24 VanDerWaalsContact CG2-CD1 3.5Å; I20-L24 HydrophobicContact CG2-CG 4.13Å; I20-L24 WeakPolarHBondContact O-CB 3.44Å; I20-L24 VanDerWaalsContact O-CG 3.26Å; I20-L24 WeakPolarHBondContact O-CG 3.38Å; I20-L24 PolarHBondContact O-N 2.9Å; N21-L24 PolarHBondContact O-N 3.1Å; L24-Q27 PolarHBondContact O-N 3.45Å; L24-L28 PolarHBondContact O-N 3.31Å
25R90.9Very high87.4Confident187 Ų187107.6 Ų107.671%0.70653%0.53SS*.Hα-helixtrans-61.6-46.6-178.8-75.5-173.9179.6-156.8-0.1113.3N21 Q27 L28 A29N21-R25 WeakPolarHBondContact O-CG 3.07Å; N21-R25 PolarHBondContact O-N 2.96Å; R25-Q27 VanDerWaalsContact C-N 3.35Å; R25-Q27 PolarHBondContact O-N 3.36Å; R25-L28 PolarHBondContact O-N 3.49Å; R25-A29 PolarHBondContact O-N 3.41Å
26P91.8Very high88.9Confident78 Ų78106.7 Ų106.751%0.50652%0.519SS..Hα-helixtrans-61.8-41174.6-22.333.8000112.3E22 L28 A29 E30E22-P26 WeakPolarHBondContact O-CD 3.49Å; E22-P26 WeakPolarHBondContact O-CG 3.32Å; P26-L28 PolarHBondContact O-N 3.18Å; P26-A29 PolarHBondContact O-N 2.83Å; P26-E30 WeakPolarHBondContact O-CB 3.42Å; P26-E30 PolarHBondContact O-N 3.43Å
27Q92.8Very high90Very high106 Ų106105.4 Ų105.450%0.49551%0.512SS..Hα-helixtrans-62.9-40.6177.6-71.7-176.446.100112.2T23 L24 R25 E30 K31T23-Q27 WeakPolarHBondContact O-CG 3.26Å; T23-Q27 PolarHBondContact O-NE2 3.42Å; L24-Q27 PolarHBondContact O-N 3.45Å; R25-Q27 VanDerWaalsContact C-N 3.35Å; R25-Q27 PolarHBondContact O-N 3.36Å; Q27-E30 PolarHBondContact O-N 2.93Å; Q27-K31 WeakPolarHBondContact O-CB 3.28Å; Q27-K31 VanDerWaalsContact O-CG 3.26Å; Q27-K31 WeakPolarHBondContact O-CG 3.41Å; Q27-K31 PolarHBondContact O-N 2.92Å
28L93.8Very high90.9Very high101 Ų101106.1 Ų106.153%0.52952%0.517SS..Hα-helixtrans-64.4-43.4175.2-179.762.9000111.5L24 R25 P26 E30 K31 K32L24-L28 PolarHBondContact O-N 3.31Å; R25-L28 PolarHBondContact O-N 3.49Å; P26-L28 PolarHBondContact O-N 3.18Å; L28-E30 VanDerWaalsContact C-N 3.34Å; L28-K31 PolarHBondContact O-N 3.39Å; L28-K32 HydrophobicContact CG-CD 4.46Å; L28-K32 WeakPolarHBondContact O-CB 3.48Å; L28-K32 WeakPolarHBondContact O-CG 3.5Å; L28-K32 PolarHBondContact O-N 2.84Å
29A93.9Very high91.7Very high58 Ų58105.1 Ų105.148%0.47951%0.507SS..Hα-helixtrans-62.3-42.7176.700000111.5R25 P26 K32 Q33R25-A29 PolarHBondContact O-N 3.41Å; P26-A29 PolarHBondContact O-N 2.83Å; A29-K32 PolarHBondContact O-N 3.35Å; A29-Q33 PolarHBondContact O-N 2.85Å
30E95.8Very high92.7Very high111 Ų111104.6 Ų104.652%0.51951%0.505SS..Hα-helixtrans-61.4-48175.4-172.2-179.1-179.300111.4P26 Q27 L28 K32 Q33 Q34P26-E30 WeakPolarHBondContact O-CB 3.42Å; P26-E30 PolarHBondContact O-N 3.43Å; Q27-E30 PolarHBondContact O-N 2.93Å; L28-E30 VanDerWaalsContact C-N 3.34Å; E30-K32 PolarHBondContact O-N 3.17Å; E30-Q33 PolarHBondContact O-N 2.97Å; E30-Q33 VanDerWaalsContact O-N 3.17Å; E30-Q34 WeakPolarHBondContact O-CG 3.45Å; E30-Q34 PolarHBondContact O-N 3.24Å
31K95.1Very high93.4Very high137 Ų137107.1 Ų107.160%0.59651%0.513SS*.Hα-helixtrans-63.8-38.6178-68.3-69.9169.9123.50112.5Q27 L28 Q33 Q34 F35Q27-K31 WeakPolarHBondContact O-CB 3.28Å; Q27-K31 VanDerWaalsContact O-CG 3.26Å; Q27-K31 WeakPolarHBondContact O-CG 3.41Å; Q27-K31 PolarHBondContact O-N 2.92Å; L28-K31 PolarHBondContact O-N 3.39Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; K31-Q34 PolarHBondContact O-N 3.05Å; K31-F35 WeakPolarHBondContact O-CB 3.43Å; K31-F35 PolarHBondContact O-N 3.35Å
32K95.8Very high94Very high115 Ų115106.8 Ų106.850%0.552%0.515SS..Hα-helixtrans-61.1-43.4172.7-77.5-179.7176.5-175.60111.4L28 A29 E30 F35 R36L28-K32 HydrophobicContact CG-CD 4.46Å; L28-K32 WeakPolarHBondContact O-CB 3.48Å; L28-K32 WeakPolarHBondContact O-CG 3.5Å; L28-K32 PolarHBondContact O-N 2.84Å; A29-K32 PolarHBondContact O-N 3.35Å; E30-K32 PolarHBondContact O-N 3.17Å; K32-F35 PolarHBondContact O-N 3.35Å; K32-R36 WeakPolarHBondContact O-CG 3.37Å; K32-R36 PolarHBondContact O-N 2.94Å
33Q96.1Very high94.5Very high79 Ų79104.4 Ų104.437%0.36950%0.503SS..Hα-helixtrans-66.5-41.9176.4-17361.83700111.8A29 E30 K31 F35 R36 N37A29-Q33 PolarHBondContact O-N 2.85Å; E30-Q33 PolarHBondContact O-N 2.97Å; E30-Q33 VanDerWaalsContact O-N 3.17Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; Q33-F35 VanDerWaalsContact C-N 3.31Å; Q33-F35 PolarHBondContact O-N 3.39Å; Q33-R36 PolarHBondContact O-N 2.93Å; Q33-N37 PolarHBondContact NE2-OD1 3.44Å; Q33-N37 WeakPolarHBondContact O-CB 3.42Å; Q33-N37 VanDerWaalsContact O-CG 3.25Å; Q33-N37 PolarHBondContact O-N 3.41Å; Q33-N37 PolarHBondContact O-OD1 3.25Å
34Q96.3Very high94.9Very high99 Ų99106.3 Ų106.346%0.46351%0.509SS..Hα-helixtrans-62.4-39.4176-72.3-167.8-100111.9E30 K31 N37 L38E30-Q34 WeakPolarHBondContact O-CG 3.45Å; E30-Q34 PolarHBondContact O-N 3.24Å; K31-Q34 PolarHBondContact O-N 3.05Å; Q34-N37 PolarHBondContact O-N 2.89Å; Q34-L38 VanDerWaalsContact O-CB 3.28Å; Q34-L38 WeakPolarHBondContact O-CB 3.34Å; Q34-L38 PolarHBondContact O-N 3.42Å
35F95.8Very high95.4Very high139 Ų139106.8 Ų106.861%0.6152%0.516SS*.Hα-helixtrans-62.7-45.3174.4-177.5-99.5000111.7K31 K32 Q33 L38 K39K31-F35 WeakPolarHBondContact O-CB 3.43Å; K31-F35 PolarHBondContact O-N 3.35Å; K32-F35 PolarHBondContact O-N 3.35Å; Q33-F35 VanDerWaalsContact C-N 3.31Å; Q33-F35 PolarHBondContact O-N 3.39Å; F35-L38 PolarHBondContact O-N 2.86Å; F35-K39 WeakPolarHBondContact O-CB 3.37Å; F35-K39 PolarHBondContact O-N 3.37Å
36R96.3Very high95.6Very high119 Ų119103.7 Ų103.745%0.44951%0.51SS..Hα-helixtrans-58.6-50.1173.5-73.8-170.8-69.3-97.15.1111.8K32 Q33 L38 K39 E40K32-R36 WeakPolarHBondContact O-CG 3.37Å; K32-R36 PolarHBondContact O-N 2.94Å; Q33-R36 PolarHBondContact O-N 2.93Å; R36-L38 VanDerWaalsContact C-N 3.31Å; R36-L38 PolarHBondContact O-N 3.36Å; R36-K39 WeakPolarHBondContact O-CB 3.4Å; R36-K39 PolarHBondContact O-N 3.07Å; R36-E40 WeakPolarHBondContact O-CG 3.23Å; R36-E40 PolarHBondContact O-N 2.85Å
37N96.3Very high95.9Very high62 Ų62104.7 Ų104.733%0.33251%0.51SS..Hα-helixtrans-60.1-40.1178.6-72-2.1000112Q33 Q34 K41Q33-N37 PolarHBondContact NE2-OD1 3.44Å; Q33-N37 WeakPolarHBondContact O-CB 3.42Å; Q33-N37 VanDerWaalsContact O-CG 3.25Å; Q33-N37 PolarHBondContact O-N 3.41Å; Q33-N37 PolarHBondContact O-OD1 3.25Å; Q34-N37 PolarHBondContact O-N 2.89Å; N37-K41 WeakPolarHBondContact O-CB 3.47Å; N37-K41 VanDerWaalsContact O-CG 3.23Å; N37-K41 WeakPolarHBondContact O-CG 3.33Å; N37-K41 PolarHBondContact O-N 2.85Å
38L96.5Very high96.1Very high118 Ų118102.4 Ų102.462%0.61851%0.509SS*.Hα-helixtrans-69.7-39.6178.5-173.764000111.3Q34 F35 R36 K41 C42Q34-L38 VanDerWaalsContact O-CB 3.28Å; Q34-L38 WeakPolarHBondContact O-CB 3.34Å; Q34-L38 PolarHBondContact O-N 3.42Å; F35-L38 PolarHBondContact O-N 2.86Å; R36-L38 VanDerWaalsContact C-N 3.31Å; R36-L38 PolarHBondContact O-N 3.36Å; L38-K41 PolarHBondContact O-N 3.27Å; L38-C42 WeakPolarHBondContact O-CB 3.48Å; L38-C42 PolarHBondContact O-N 2.92Å
39K96.4Very high96.2Very high103 Ų10399.1 Ų99.145%0.44850%0.5SS..Hα-helixtrans-61.2-47.3174.9-176.1174.7180-1800111F35 R36 C42 F43F35-K39 WeakPolarHBondContact O-CB 3.37Å; F35-K39 PolarHBondContact O-N 3.37Å; R36-K39 WeakPolarHBondContact O-CB 3.4Å; R36-K39 PolarHBondContact O-N 3.07Å; K39-C42 WeakPolarHBondContact O-CB 3.49Å; K39-C42 PolarHBondContact O-N 2.91Å; K39-F43 HydrophobicContact CD-CE2 4.2Å; K39-F43 HydrophobicContact CG-CD2 4.03Å; K39-F43 HydrophobicContact CG-CE2 3.54Å; K39-F43 HydrophobicContact CG-CZ 4.46Å; K39-F43 WeakPolarHBondContact O-CD2 3.13Å; K39-F43 PolarHBondContact O-N 3.19Å
40E95.7Very high96.3Very high113 Ų113102 Ų10253%0.52850%0.502SS..Hα-helixtrans-60.7-46.3174.3-73.7171.4-164.900112.1R36 C42 F43 L44R36-E40 WeakPolarHBondContact O-CG 3.23Å; R36-E40 PolarHBondContact O-N 2.85Å; E40-C42 VanDerWaalsContact C-N 3.29Å; E40-C42 PolarHBondContact O-N 3.03Å; E40-F43 PolarHBondContact O-N 2.73Å; E40-L44 WeakPolarHBondContact O-CB 3.38Å; E40-L44 WeakPolarHBondContact O-CG 3.38Å; E40-L44 PolarHBondContact O-N 3.44Å
41K96.5Very high96.4Very high133 Ų133101.6 Ų101.658%0.57850%0.503SS*.Hα-helixtrans-59.8-39.1175.8-77.4175.9-179.2-177.30112.4N37 L38 T45N37-K41 WeakPolarHBondContact O-CB 3.47Å; N37-K41 VanDerWaalsContact O-CG 3.23Å; N37-K41 WeakPolarHBondContact O-CG 3.33Å; N37-K41 PolarHBondContact O-N 2.85Å; L38-K41 PolarHBondContact O-N 3.27Å; K41-T45 WeakPolarHBondContact O-CB 3.42Å; K41-T45 PolarHBondContact O-N 2.99Å; K41-T45 PolarHBondContact O-OG1 3.24Å
42C96.4Very high96.4Very high64 Ų6496.9 Ų96.943%0.43249%0.49SS..Hα-helixtrans-61.3-49.5176.2-172.40000110.7L38 K39 E40 T45 Q46L38-C42 WeakPolarHBondContact O-CB 3.48Å; L38-C42 PolarHBondContact O-N 2.92Å; K39-C42 WeakPolarHBondContact O-CB 3.49Å; K39-C42 PolarHBondContact O-N 2.91Å; E40-C42 VanDerWaalsContact C-N 3.29Å; E40-C42 PolarHBondContact O-N 3.03Å; C42-T45 PolarHBondContact O-N 2.87Å; C42-Q46 WeakPolarHBondContact O-CG 3.34Å; C42-Q46 PolarHBondContact O-N 2.98Å
43F96.5Very high96.3Very high104 Ų10496.4 Ų96.446%0.45649%0.493SS..Hα-helixtrans-63.4-44.3177.7-71.9-56.6000113.1K39 E40 T45 Q46 L47K39-F43 HydrophobicContact CD-CE2 4.2Å; K39-F43 HydrophobicContact CG-CD2 4.03Å; K39-F43 HydrophobicContact CG-CE2 3.54Å; K39-F43 HydrophobicContact CG-CZ 4.46Å; K39-F43 WeakPolarHBondContact O-CD2 3.13Å; K39-F43 PolarHBondContact O-N 3.19Å; E40-F43 PolarHBondContact O-N 2.73Å; F43-T45 VanDerWaalsContact C-N 3.26Å; F43-T45 PolarHBondContact O-N 3.5Å; F43-Q46 PolarHBondContact O-N 3.44Å; F43-L47 WeakPolarHBondContact O-CB 3.47Å; F43-L47 PolarHBondContact O-N 2.99Å
44L96.9Very high96.1Very high115 Ų11595.8 Ų95.860%0.60249%0.49SS*.Hα-helixtrans-59.8-39.2177-73.1171.1000111.6E40 A48E40-L44 WeakPolarHBondContact O-CB 3.38Å; E40-L44 WeakPolarHBondContact O-CG 3.38Å; E40-L44 PolarHBondContact O-N 3.44Å; L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.28Å; L44-A48 PolarHBondContact O-N 3.2Å
45T97Very high95.9Very high102 Ų10296.6 Ų96.663%0.62649%0.494SS*.Hα-helixtrans-68-43.6177.3-54.70000111.5K41 C42 F43 A48 G49K41-T45 WeakPolarHBondContact O-CB 3.42Å; K41-T45 PolarHBondContact O-N 2.99Å; K41-T45 PolarHBondContact O-OG1 3.24Å; C42-T45 PolarHBondContact O-N 2.87Å; F43-T45 VanDerWaalsContact C-N 3.26Å; F43-T45 PolarHBondContact O-N 3.5Å; T45-A48 PolarHBondContact O-N 2.94Å; T45-G49 PolarHBondContact O-N 2.94Å
46Q96.6Very high95.8Very high121 Ų12196.8 Ų96.857%0.56549%0.494SS*.Hα-helixtrans-62-46.1176.1-73177.3-1.300111.7C42 F43 A48 G49 F50C42-Q46 WeakPolarHBondContact O-CG 3.34Å; C42-Q46 PolarHBondContact O-N 2.98Å; F43-Q46 PolarHBondContact O-N 3.44Å; Q46-A48 PolarHBondContact O-N 3.35Å; Q46-G49 PolarHBondContact O-N 2.88Å; Q46-F50 PolarHBondContact O-N 3.28Å
47L96.7Very high95.7Very high100 Ų10097.9 Ų97.952%0.52450%0.502SS..Hα-helixtrans-63.2-42.5178.1-174.565.9000111.6F43 G49 F50 L51F43-L47 WeakPolarHBondContact O-CB 3.47Å; F43-L47 PolarHBondContact O-N 2.99Å; L47-G49 VanDerWaalsContact C-N 3.31Å; L47-G49 PolarHBondContact O-N 3.23Å; L47-F50 PolarHBondContact O-N 3.17Å; L47-L51 HydrophobicContact CG-CD1 4.1Å; L47-L51 WeakPolarHBondContact O-CB 3.27Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.43Å
48A97.2Very high95.3Very high57 Ų57103.3 Ų103.347%0.47152%0.519SS..Hα-helixtrans-60.3-41.5174.500000111.8L44 T45 Q46 A52L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.28Å; L44-A48 PolarHBondContact O-N 3.2Å; T45-A48 PolarHBondContact O-N 2.94Å; Q46-A48 PolarHBondContact O-N 3.35Å; A48-A52 VanDerWaalsContact O-CB 3.28Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 3.08Å
49G96.9Very high95Very high33 Ų33103.2 Ų103.234%0.3451%0.514SS..Hα-helixtrans-62.5-45175.200000112.8T45 Q46 L47 A52 N53T45-G49 PolarHBondContact O-N 2.94Å; Q46-G49 PolarHBondContact O-N 2.88Å; L47-G49 VanDerWaalsContact C-N 3.31Å; L47-G49 PolarHBondContact O-N 3.23Å; G49-A52 PolarHBondContact O-N 3.08Å; G49-N53 PolarHBondContact O-N 3.44Å; G49-N53 VanDerWaalsContact O-N 3.08Å; G49-N53 PolarHBondContact O-ND2 3.49Å
50F96.3Very high94.8Very high119 Ų119106 Ų10652%0.52252%0.522SS..Hα-helixtrans-60.7-50.2176.1175.2-97.2000111.9Q46 L47 A52 N53 Q54Q46-F50 PolarHBondContact O-N 3.28Å; L47-F50 PolarHBondContact O-N 3.17Å; F50-A52 PolarHBondContact O-N 3.47Å; F50-N53 PolarHBondContact O-N 2.94Å; F50-Q54 HydrophobicContact CD1-CG 4.29Å; F50-Q54 HydrophobicContact CE1-CG 3.86Å; F50-Q54 HydrophobicContact CE2-CG 4.26Å; F50-Q54 HydrophobicContact CZ-CG 3.86Å; F50-Q54 VanDerWaalsContact CZ-NE2 3.34Å; F50-Q54 WeakPolarHBondContact O-CG 3.35Å; F50-Q54 PolarHBondContact O-N 2.98Å
51L96.4Very high94.6Very high101 Ų101104.1 Ų104.153%0.52951%0.514SS..Hα-helixtrans-62.3-41.1179.6-70.7171.5000112.1L47 N53 Q54 Q55L47-L51 HydrophobicContact CG-CD1 4.1Å; L47-L51 WeakPolarHBondContact O-CB 3.27Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.43Å; L51-N53 VanDerWaalsContact C-N 3.31Å; L51-N53 PolarHBondContact O-N 3.29Å; L51-Q54 PolarHBondContact O-N 3.2Å; L51-Q55 WeakPolarHBondContact O-CB 3.33Å; L51-Q55 PolarHBondContact O-N 2.98Å
52A95.6Very high94.3Very high39 Ų39104.7 Ų104.732%0.32252%0.518SS..Hα-helixtrans-61.9-39.3176.200000112.2A48 G49 F50 K56A48-A52 VanDerWaalsContact O-CB 3.28Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 3.08Å; G49-A52 PolarHBondContact O-N 3.08Å; F50-A52 PolarHBondContact O-N 3.47Å; A52-K56 VanDerWaalsContact O-CG 3.31Å; A52-K56 WeakPolarHBondContact O-CG 3.48Å; A52-K56 PolarHBondContact O-N 2.95Å; A52-K56 VanDerWaalsContact O-N 3.08Å
53N93.1Very high93.9Very high105 Ų105105 Ų10556%0.56152%0.521SS*.Hα-helixtrans-68-42176.3-73.7-20.8000111.9G49 F50 L51 K56 K57G49-N53 PolarHBondContact O-N 3.44Å; G49-N53 VanDerWaalsContact O-N 3.08Å; G49-N53 PolarHBondContact O-ND2 3.49Å; F50-N53 PolarHBondContact O-N 2.94Å; L51-N53 VanDerWaalsContact C-N 3.31Å; L51-N53 PolarHBondContact O-N 3.29Å; N53-K56 PolarHBondContact O-N 2.94Å; N53-K57 WeakPolarHBondContact O-CB 3.49Å; N53-K57 PolarHBondContact O-N 3.38Å
54Q92.5Very high93.9Very high66 Ų66104 Ų10431%0.30852%0.516SS..Hα-helixtrans-61.7-45.5175.1-69.3-65.6200111.6F50 L51 K56 K57 Y58F50-Q54 HydrophobicContact CD1-CG 4.29Å; F50-Q54 HydrophobicContact CE1-CG 3.86Å; F50-Q54 HydrophobicContact CE2-CG 4.26Å; F50-Q54 HydrophobicContact CZ-CG 3.86Å; F50-Q54 VanDerWaalsContact CZ-NE2 3.34Å; F50-Q54 WeakPolarHBondContact O-CG 3.35Å; F50-Q54 PolarHBondContact O-N 2.98Å; L51-Q54 PolarHBondContact O-N 3.2Å; Q54-K56 VanDerWaalsContact C-N 3.32Å; Q54-K56 PolarHBondContact O-N 3.41Å; Q54-K57 WeakPolarHBondContact O-CB 3.49Å; Q54-K57 PolarHBondContact O-N 3.29Å; Q54-Y58 WeakPolarHBondContact O-CD2 3.46Å; Q54-Y58 PolarHBondContact O-N 3.5Å
55Q93.2Very high93.7Very high116 Ų116102.2 Ų102.254%0.54251%0.507SS..Hα-helixtrans-60.6-42178-167.5-174.818.600111.9L51 K59L51-Q55 WeakPolarHBondContact O-CB 3.33Å; L51-Q55 PolarHBondContact O-N 2.98Å; Q55-K59 HydrophobicContact CG-CD 4.44Å; Q55-K59 WeakPolarHBondContact O-CB 3.27Å; Q55-K59 WeakPolarHBondContact O-CG 3.5Å; Q55-K59 PolarHBondContact O-N 3.35Å; Q55-K59 VanDerWaalsContact O-N 3.1Å
56K93.8Very high93.7Very high142 Ų142102.1 Ų102.162%0.61750%0.502SS*.Hα-helixtrans-63.2-42.3175.8-74.5174.2-177177.40112A52 N53 Q54 K59 Y60A52-K56 VanDerWaalsContact O-CG 3.31Å; A52-K56 WeakPolarHBondContact O-CG 3.48Å; A52-K56 PolarHBondContact O-N 2.95Å; A52-K56 VanDerWaalsContact O-N 3.08Å; N53-K56 PolarHBondContact O-N 2.94Å; Q54-K56 VanDerWaalsContact C-N 3.32Å; Q54-K56 PolarHBondContact O-N 3.41Å; K56-K59 PolarHBondContact O-N 2.92Å; K56-Y60 WeakPolarHBondContact O-CB 3.47Å; K56-Y60 PolarHBondContact O-N 3.37Å
57K93.7Very high93.6Very high143 Ų143101 Ų10162%0.62250%0.499SS*.Hα-helixtrans-60.9-49.6178.8-176.4-176.8176.5-174.40111.7N53 Q54 K59 Y60 E61N53-K57 WeakPolarHBondContact O-CB 3.49Å; N53-K57 PolarHBondContact O-N 3.38Å; Q54-K57 WeakPolarHBondContact O-CB 3.49Å; Q54-K57 PolarHBondContact O-N 3.29Å; K57-K59 PolarHBondContact O-N 3.3Å; K57-Y60 PolarHBondContact O-N 3.03Å; K57-E61 PolarHBondContact O-N 3.42Å
58Y87.4Confident93.6Very high176 Ų176102.2 Ų102.269%0.6950%0.5SS*.Hα-helixtrans-60.6-45.3177.2-88.5-81.8000112.1Q54 Y60 E61 E62Q54-Y58 WeakPolarHBondContact O-CD2 3.46Å; Q54-Y58 PolarHBondContact O-N 3.5Å; Y58-Y60 VanDerWaalsContact C-N 3.33Å; Y58-Y60 PolarHBondContact O-N 3.06Å; Y58-E61 PolarHBondContact O-N 3.1Å; Y58-E62 PolarHBondContact O-N 3.38Å
59K90.1Very high93.6Very high115 Ų115105.3 Ų105.350%0.550%0.503SS..Hα-helixtrans-59.4-41.9176.1-75.6179.6176.8-179.10112.6Q55 K56 K57 C63Q55-K59 HydrophobicContact CG-CD 4.44Å; Q55-K59 WeakPolarHBondContact O-CB 3.27Å; Q55-K59 WeakPolarHBondContact O-CG 3.5Å; Q55-K59 PolarHBondContact O-N 3.35Å; Q55-K59 VanDerWaalsContact O-N 3.1Å; K56-K59 PolarHBondContact O-N 2.92Å; K57-K59 PolarHBondContact O-N 3.3Å; K59-C63 WeakPolarHBondContact O-CB 3.21Å; K59-C63 PolarHBondContact O-N 3.48Å; K59-C63 PolarHBondContact O-SG 3.28Å
60Y91.6Very high93.6Very high161 Ų161109.2 Ų109.263%0.63151%0.514SS*.Hα-helixtrans-64-43.3177.7178.3-97.5000112K56 K57 Y58 C63 K64K56-Y60 WeakPolarHBondContact O-CB 3.47Å; K56-Y60 PolarHBondContact O-N 3.37Å; K57-Y60 PolarHBondContact O-N 3.03Å; Y58-Y60 VanDerWaalsContact C-N 3.33Å; Y58-Y60 PolarHBondContact O-N 3.06Å; Y60-C63 PolarHBondContact O-N 3.45Å; Y60-K64 HydrophobicContact CE1-CD 4.21Å; Y60-K64 VanDerWaalsContact O-CB 3.27Å; Y60-K64 WeakPolarHBondContact O-CB 3.43Å; Y60-K64 PolarHBondContact O-N 3.07Å
61E91.7Very high93.7Very high75 Ų75108.5 Ų108.535%0.3552%0.515SS..Hα-helixtrans-67.9-41.5-179.6-156.963.1-153.800111.8K57 Y58 C63 K64 D65K57-E61 PolarHBondContact O-N 3.42Å; Y58-E61 PolarHBondContact O-N 3.1Å; E61-C63 PolarHBondContact O-N 3.2Å; E61-K64 WeakPolarHBondContact O-CB 3.43Å; E61-K64 PolarHBondContact O-N 3.48Å; E61-K64 IonicContact OE1-NZ 3.37Å; E61-K64 PolarHBondContact OE1-NZ 3.42Å; E61-K64 IonicContact OE2-NZ 3.83Å; E61-K64 PolarHBondContact OE2-NZ 3.18Å; E61-D65 PolarHBondContact O-N 2.96Å
62E91.1Very high93.7Very high144 Ų144111.6 Ų111.667%0.67352%0.52SS*.Hα-helixtrans-60.8-45.4174.7-173.6177.7-160.400111.8Y58 K64 D65 L66Y58-E62 PolarHBondContact O-N 3.38Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 3.46Å; E62-D65 PolarHBondContact O-N 3.22Å; E62-L66 WeakPolarHBondContact O-CB 3.43Å; E62-L66 PolarHBondContact O-N 2.94Å
63C88.4Confident93.8Very high71 Ų71112.5 Ų112.548%0.4852%0.519SS..Hα-helixtrans-63-39.4175-70.30000112.3K59 Y60 E61 L66 I67K59-C63 WeakPolarHBondContact O-CB 3.21Å; K59-C63 PolarHBondContact O-N 3.48Å; K59-C63 PolarHBondContact O-SG 3.28Å; Y60-C63 PolarHBondContact O-N 3.45Å; E61-C63 PolarHBondContact O-N 3.2Å; C63-L66 PolarHBondContact O-N 2.93Å; C63-I67 WeakPolarHBondContact O-CB 3.38Å; C63-I67 WeakPolarHBondContact O-CD1 3.39Å; C63-I67 WeakPolarHBondContact O-CG1 3.38Å; C63-I67 PolarHBondContact O-N 2.97Å
64K95.2Very high93.9Very high84 Ų84112.3 Ų112.337%0.36552%0.515SS..Hα-helixtrans-64.3-43.3178.7173.4-176.3165.8-150.70111.7Y60 E61 E62 K68Y60-K64 HydrophobicContact CE1-CD 4.21Å; Y60-K64 VanDerWaalsContact O-CB 3.27Å; Y60-K64 WeakPolarHBondContact O-CB 3.43Å; Y60-K64 PolarHBondContact O-N 3.07Å; E61-K64 WeakPolarHBondContact O-CB 3.43Å; E61-K64 PolarHBondContact O-N 3.48Å; E61-K64 IonicContact OE1-NZ 3.37Å; E61-K64 PolarHBondContact OE1-NZ 3.42Å; E61-K64 IonicContact OE2-NZ 3.83Å; E61-K64 PolarHBondContact OE2-NZ 3.18Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 3.46Å; K64-K68 WeakPolarHBondContact O-CB 3.48Å; K64-K68 PolarHBondContact O-N 2.93Å
65D93.4Very high94.1Very high77 Ų77117.6 Ų117.641%0.41253%0.532SS..Hα-helixtrans-70.9-38.6178-75.2-26.2000112E61 E62 K68 F69E61-D65 PolarHBondContact O-N 2.96Å; E62-D65 PolarHBondContact O-N 3.22Å; D65-K68 PolarHBondContact O-N 2.72Å; D65-K68 IonicContact OD1-NZ 3.57Å; D65-F69 VanDerWaalsContact O-CB 3.31Å; D65-F69 WeakPolarHBondContact O-CB 3.3Å; D65-F69 PolarHBondContact O-N 3.1Å
66L95.9Very high94.3Very high99 Ų99116.5 Ų116.552%0.51853%0.527SS..Hα-helixtrans-59.6-48.2172.7179.261.1000111.5E62 C63 K68 F69 M70E62-L66 WeakPolarHBondContact O-CB 3.43Å; E62-L66 PolarHBondContact O-N 2.94Å; C63-L66 PolarHBondContact O-N 2.93Å; L66-K68 VanDerWaalsContact C-N 3.35Å; L66-K68 PolarHBondContact O-N 2.99Å; L66-F69 PolarHBondContact O-N 3.27Å; L66-M70 HydrophobicContact CD1-CG 4.22Å; L66-M70 HydrophobicContact CD1-SD 4.27Å; L66-M70 HydrophobicContact CG-SD 4.15Å; L66-M70 VanDerWaalsContact O-CG 3.3Å; L66-M70 WeakPolarHBondContact O-CG 3.45Å; L66-M70 PolarHBondContact O-N 2.97Å
67I96.1Very high94.4Very high99 Ų99116 Ų11651%0.50853%0.525SS..Hα-helixtrans-61.2-45.2177.8-70.4164.8000110.5C63 F69 M70 L71C63-I67 WeakPolarHBondContact O-CB 3.38Å; C63-I67 WeakPolarHBondContact O-CD1 3.39Å; C63-I67 WeakPolarHBondContact O-CG1 3.38Å; C63-I67 PolarHBondContact O-N 2.97Å; I67-F69 VanDerWaalsContact C-N 3.32Å; I67-F69 PolarHBondContact O-N 3.32Å; I67-M70 PolarHBondContact O-N 3.4Å; I67-L71 HydrophobicContact CG2-CD1 3.84Å; I67-L71 HydrophobicContact CG2-CG 4.37Å; I67-L71 WeakPolarHBondContact O-CB 3.38Å; I67-L71 VanDerWaalsContact O-CG 3.26Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.37Å
68K97Very high94.6Very high125 Ų125114.5 Ų114.554%0.54352%0.518SS..Hα-helixtrans-59.6-43.6176.9-176.5-171.6-721630111.5K64 D65 L66 R72K64-K68 WeakPolarHBondContact O-CB 3.48Å; K64-K68 PolarHBondContact O-N 2.93Å; D65-K68 PolarHBondContact O-N 2.72Å; D65-K68 IonicContact OD1-NZ 3.57Å; L66-K68 VanDerWaalsContact C-N 3.35Å; L66-K68 PolarHBondContact O-N 2.99Å; K68-R72 WeakPolarHBondContact O-CB 3.26Å; K68-R72 PolarHBondContact O-N 3.25Å
69F96.6Very high95.1Very high122 Ų122112.2 Ų112.254%0.53551%0.514SS..Hα-helixtrans-63.2-49177.8176.5-105.7000111.6D65 L66 I67 L71 R72 N73D65-F69 VanDerWaalsContact O-CB 3.31Å; D65-F69 WeakPolarHBondContact O-CB 3.3Å; D65-F69 PolarHBondContact O-N 3.1Å; L66-F69 PolarHBondContact O-N 3.27Å; I67-F69 VanDerWaalsContact C-N 3.32Å; I67-F69 PolarHBondContact O-N 3.32Å; F69-L71 VanDerWaalsContact C-N 3.34Å; F69-L71 PolarHBondContact O-N 2.87Å; F69-R72 PolarHBondContact O-N 3.46Å; F69-R72 VanDerWaalsContact O-N 3.17Å; F69-N73 WeakPolarHBondContact CD1-ND2 3.5Å; F69-N73 WeakPolarHBondContact CE1-ND2 3.44Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.47Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.31Å; F69-N73 VanDerWaalsContact O-CG 3.32Å; F69-N73 PolarHBondContact O-N 2.68Å
70M97.1Very high95.4Very high114 Ų114113.4 Ų113.456%0.56252%0.521SS*.Hα-helixtrans-57.6-46.3177.5-71.3-179.571.600111.7L66 I67 R72 N73 E74L66-M70 HydrophobicContact CD1-CG 4.22Å; L66-M70 HydrophobicContact CD1-SD 4.27Å; L66-M70 HydrophobicContact CG-SD 4.15Å; L66-M70 VanDerWaalsContact O-CG 3.3Å; L66-M70 WeakPolarHBondContact O-CG 3.45Å; L66-M70 PolarHBondContact O-N 2.97Å; I67-M70 PolarHBondContact O-N 3.4Å; M70-R72 VanDerWaalsContact C-N 3.32Å; M70-R72 PolarHBondContact O-N 3.36Å; M70-N73 PolarHBondContact O-N 3.42Å; M70-E74 WeakPolarHBondContact O-CB 3.3Å; M70-E74 PolarHBondContact O-N 2.91Å
71L97.4Very high95.7Very high104 Ų104111.4 Ų111.455%0.54552%0.516SS..Hα-helixtrans-63.3-37.2178-71.4171.5000112.8I67 F69 R75I67-L71 HydrophobicContact CG2-CD1 3.84Å; I67-L71 HydrophobicContact CG2-CG 4.37Å; I67-L71 WeakPolarHBondContact O-CB 3.38Å; I67-L71 VanDerWaalsContact O-CG 3.26Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.37Å; F69-L71 VanDerWaalsContact C-N 3.34Å; F69-L71 PolarHBondContact O-N 2.87Å; L71-R75 WeakPolarHBondContact O-CB 3.37Å; L71-R75 PolarHBondContact O-N 3.42Å
72R97.4Very high96Very high167 Ų167113 Ų11363%0.6353%0.527SS*.Hα-helixtrans-66.6-47.4176.8-168.5-177-146.9-171.65.2111.1K68 F69 M70 R75 Q76K68-R72 WeakPolarHBondContact O-CB 3.26Å; K68-R72 PolarHBondContact O-N 3.25Å; F69-R72 PolarHBondContact O-N 3.46Å; F69-R72 VanDerWaalsContact O-N 3.17Å; M70-R72 VanDerWaalsContact C-N 3.32Å; M70-R72 PolarHBondContact O-N 3.36Å; R72-R75 WeakPolarHBondContact O-CB 3.39Å; R72-R75 PolarHBondContact O-N 2.96Å; R72-Q76 WeakPolarHBondContact O-CG 2.97Å; R72-Q76 PolarHBondContact O-N 2.87Å
73N96.1Very high96.4Very high57 Ų57109 Ų10931%0.30552%0.518SS..Hα-helixtrans-66-41.5-179.3-66.4-10.4000111.6F69 M70 R75 Q76 F77F69-N73 WeakPolarHBondContact CD1-ND2 3.5Å; F69-N73 WeakPolarHBondContact CE1-ND2 3.44Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.47Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.31Å; F69-N73 VanDerWaalsContact O-CG 3.32Å; F69-N73 PolarHBondContact O-N 2.68Å; M70-N73 PolarHBondContact O-N 3.42Å; N73-R75 VanDerWaalsContact C-N 3.26Å; N73-R75 PolarHBondContact O-N 3.19Å; N73-Q76 PolarHBondContact O-N 3.17Å; N73-F77 WeakPolarHBondContact O-CB 2.99Å; N73-F77 PolarHBondContact O-N 3.03Å
74E96.6Very high96.8Very high102 Ų102110 Ų11048%0.47752%0.515SS..Hα-helixtrans-61.5-38.4177.2-169.3-174.6165.900111.3M70 K78M70-E74 WeakPolarHBondContact O-CB 3.3Å; M70-E74 PolarHBondContact O-N 2.91Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 3.36Å; E74-K78 WeakPolarHBondContact OE1-CE 3.5Å; E74-K78 IonicContact OE1-NZ 2.72Å; E74-K78 PolarHBondContact OE1-NZ 3.21Å
75R96.8Very high97Very high176 Ų176110.7 Ų110.766%0.66452%0.52SS*.Hα-helixtrans-63.9-49.7173.1-174.2-167.3-56.2178.90.1111.6L71 R72 N73 F77 K78 E79L71-R75 WeakPolarHBondContact O-CB 3.37Å; L71-R75 PolarHBondContact O-N 3.42Å; R72-R75 WeakPolarHBondContact O-CB 3.39Å; R72-R75 PolarHBondContact O-N 2.96Å; N73-R75 VanDerWaalsContact C-N 3.26Å; N73-R75 PolarHBondContact O-N 3.19Å; R75-F77 VanDerWaalsContact C-N 3.35Å; R75-F77 PolarHBondContact O-N 2.84Å; R75-K78 PolarHBondContact O-N 3.18Å; R75-E79 WeakPolarHBondContact O-CB 3.48Å; R75-E79 PolarHBondContact O-N 3.36Å
76Q97.6Very high97.2Very high93 Ų93112.9 Ų112.944%0.43553%0.531SS..Hα-helixtrans-60.8-44.1-178.9-75.1174.9-28.100111.8R72 N73 K78 E79 E80R72-Q76 WeakPolarHBondContact O-CG 2.97Å; R72-Q76 PolarHBondContact O-N 2.87Å; N73-Q76 PolarHBondContact O-N 3.17Å; Q76-K78 VanDerWaalsContact C-N 3.3Å; Q76-K78 PolarHBondContact O-N 3.2Å; Q76-E79 PolarHBondContact O-N 3Å; Q76-E79 VanDerWaalsContact O-N 3.16Å; Q76-E80 WeakPolarHBondContact O-CB 3.4Å; Q76-E80 PolarHBondContact O-N 2.91Å
77F96.1Very high97.3Very high133 Ų133114.4 Ų114.458%0.58353%0.534SS*.Hα-helixtrans-58.8-41.7175.7175-102000112.2N73 R75 K81N73-F77 WeakPolarHBondContact O-CB 2.99Å; N73-F77 PolarHBondContact O-N 3.03Å; R75-F77 VanDerWaalsContact C-N 3.35Å; R75-F77 PolarHBondContact O-N 2.84Å; F77-K81 VanDerWaalsContact O-CB 3.29Å; F77-K81 WeakPolarHBondContact O-CB 3.35Å; F77-K81 PolarHBondContact O-N 3.47Å
78K96.9Very high97.4Very high110 Ų110114.6 Ų114.648%0.47853%0.532SS..Hα-helixtrans-66.6-41.4175.8-71.9171.6-173.6169.40111.8E74 R75 Q76 K81 L82E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 3.36Å; E74-K78 WeakPolarHBondContact OE1-CE 3.5Å; E74-K78 IonicContact OE1-NZ 2.72Å; E74-K78 PolarHBondContact OE1-NZ 3.21Å; R75-K78 PolarHBondContact O-N 3.18Å; Q76-K78 VanDerWaalsContact C-N 3.3Å; Q76-K78 PolarHBondContact O-N 3.2Å; K78-K81 PolarHBondContact O-N 2.96Å; K78-L82 WeakPolarHBondContact O-CB 3.45Å; K78-L82 WeakPolarHBondContact O-CG 3.29Å; K78-L82 PolarHBondContact O-N 2.85Å
79E97.4Very high97.5Very high128 Ų128111.4 Ų111.460%0.59853%0.529SS*.Hα-helixtrans-64.4-46.2178.3-174.5174.6-177.900111.7R75 Q76 L82 A83R75-E79 WeakPolarHBondContact O-CB 3.48Å; R75-E79 PolarHBondContact O-N 3.36Å; Q76-E79 PolarHBondContact O-N 3Å; Q76-E79 VanDerWaalsContact O-N 3.16Å; E79-L82 PolarHBondContact O-N 2.72Å; E79-A83 WeakPolarHBondContact O-CB 3.37Å; E79-A83 PolarHBondContact O-N 2.89Å
80E97.4Very high97.5Very high140 Ų140109 Ų10965%0.65452%0.52SS*.Hα-helixtrans-61.8-44.9175.8-175.3177.4-175.200111.4Q76 L82 A83 E84Q76-E80 WeakPolarHBondContact O-CB 3.4Å; Q76-E80 PolarHBondContact O-N 2.91Å; E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.86Å; E80-A83 PolarHBondContact O-N 3.12Å; E80-E84 PolarHBondContact O-N 3.16Å
81K98.1Very high97.6Very high119 Ų119109.7 Ų109.752%0.51752%0.522SS..Hα-helixtrans-59.4-41.1175.5-176.1175.6-179176.80112.2F77 K78 Q85F77-K81 VanDerWaalsContact O-CB 3.29Å; F77-K81 WeakPolarHBondContact O-CB 3.35Å; F77-K81 PolarHBondContact O-N 3.47Å; K78-K81 PolarHBondContact O-N 2.96Å; K81-Q85 WeakPolarHBondContact O-CG 3.45Å; K81-Q85 PolarHBondContact O-N 3.28Å; K81-Q85 VanDerWaalsContact O-N 3.12Å
82L98Very high97.6Very high110 Ų110110.6 Ų110.658%0.57653%0.526SS*.Hα-helixtrans-69-39.3176.4-75171.9000111.9K78 E79 E80 E84 Q85 L86K78-L82 WeakPolarHBondContact O-CB 3.45Å; K78-L82 WeakPolarHBondContact O-CG 3.29Å; K78-L82 PolarHBondContact O-N 2.85Å; E79-L82 PolarHBondContact O-N 2.72Å; E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.86Å; L82-E84 VanDerWaalsContact C-N 3.35Å; L82-Q85 PolarHBondContact O-N 3.01Å; L82-L86 WeakPolarHBondContact O-CB 3.38Å; L82-L86 PolarHBondContact O-N 3.49Å
83A97.9Very high97.7Very high59 Ų59110.1 Ų110.149%0.48853%0.525SS..Hα-helixtrans-62.2-42.717700000111.7E79 E80 L86 K87E79-A83 WeakPolarHBondContact O-CB 3.37Å; E79-A83 PolarHBondContact O-N 2.89Å; E80-A83 PolarHBondContact O-N 3.12Å; A83-L86 PolarHBondContact O-N 3.43Å; A83-K87 WeakPolarHBondContact O-CB 3.36Å; A83-K87 PolarHBondContact O-N 2.88Å
84E98Very high97.8Very high92 Ų92113 Ų11343%0.4354%0.536SS..Hα-helixtrans-65.5-42.2176.2-170.958.2-145.900111.6E80 L82 L86 K87 Q88E80-E84 PolarHBondContact O-N 3.16Å; L82-E84 VanDerWaalsContact C-N 3.35Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.31Å; E84-K87 WeakPolarHBondContact O-CB 3.29Å; E84-K87 PolarHBondContact O-N 3.18Å; E84-Q88 WeakPolarHBondContact O-CG 3.42Å; E84-Q88 PolarHBondContact O-N 2.86Å
85Q98.3Very high97.8Very high99 Ų99115.4 Ų115.446%0.46354%0.542SS..Hα-helixtrans-61.6-40.3173.8-75.7-177.7-18.900112.4K81 L82 Q88 A89K81-Q85 WeakPolarHBondContact O-CG 3.45Å; K81-Q85 PolarHBondContact O-N 3.28Å; K81-Q85 VanDerWaalsContact O-N 3.12Å; L82-Q85 PolarHBondContact O-N 3.01Å; Q85-Q88 PolarHBondContact O-N 3.36Å; Q85-A89 WeakPolarHBondContact O-CB 3.4Å; Q85-A89 PolarHBondContact O-N 2.84Å
86L98.2Very high97.9Very high123 Ų123112.3 Ų112.364%0.64453%0.533SS*.Hα-helixtrans-65.3-42.8177.4-167.8159.2000110.8L82 A83 E84 Q88 A89 E90L82-L86 WeakPolarHBondContact O-CB 3.38Å; L82-L86 PolarHBondContact O-N 3.49Å; A83-L86 PolarHBondContact O-N 3.43Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.31Å; L86-Q88 PolarHBondContact O-N 3.23Å; L86-A89 PolarHBondContact O-N 2.74Å; L86-E90 PolarHBondContact O-N 3.33Å
87K98.3Very high97.9Very high131 Ų131112.5 Ų112.557%0.5754%0.54SS*.Hα-helixtrans-58.6-47.7175.8-174.5-173.5173.3-1660111.6A83 E84 A89 E90 E91A83-K87 WeakPolarHBondContact O-CB 3.36Å; A83-K87 PolarHBondContact O-N 2.88Å; E84-K87 WeakPolarHBondContact O-CB 3.29Å; E84-K87 PolarHBondContact O-N 3.18Å; K87-A89 VanDerWaalsContact C-N 3.35Å; K87-A89 PolarHBondContact O-N 2.8Å; K87-E90 PolarHBondContact O-N 2.92Å; K87-E91 PolarHBondContact O-N 2.96Å
88Q98.4Very high98.1Very high102 Ų102111.4 Ų111.448%0.47754%0.54SS..Hα-helixtrans-62.4-40.8176.5-69.5173.65.500112.2E84 Q85 L86 E91 L92E84-Q88 WeakPolarHBondContact O-CG 3.42Å; E84-Q88 PolarHBondContact O-N 2.86Å; Q85-Q88 PolarHBondContact O-N 3.36Å; L86-Q88 PolarHBondContact O-N 3.23Å; Q88-E91 PolarHBondContact O-N 2.94Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 2.83Å
89A98.1Very high98.1Very high59 Ų59108 Ų10849%0.48853%0.528SS..Hα-helixtrans-65.2-39.1177.600000112.5Q85 L86 K87 R93Q85-A89 WeakPolarHBondContact O-CB 3.4Å; Q85-A89 PolarHBondContact O-N 2.84Å; L86-A89 PolarHBondContact O-N 2.74Å; K87-A89 VanDerWaalsContact C-N 3.35Å; K87-A89 PolarHBondContact O-N 2.8Å; A89-R93 WeakPolarHBondContact O-CB 3.47Å; A89-R93 PolarHBondContact O-N 3.34Å
90E98.1Very high98.2Very high71 Ų71105.3 Ų105.333%0.33252%0.516SS..Hα-helixtrans-69.4-38.1176.6-174.759.2-150.800111.6L86 K87 R93 Q94L86-E90 PolarHBondContact O-N 3.33Å; K87-E90 PolarHBondContact O-N 2.92Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 3.48Å; E90-R93 IonicContact OE1-NH1 2.68Å; E90-R93 PolarHBondContact OE1-NH1 2.94Å; E90-R93 WeakPolarHBondContact OE2-CD 3.5Å; E90-R93 IonicContact OE2-CZ 3.68Å; E90-R93 IonicContact OE2-NH1 3.84Å; E90-R93 PolarHBondContact OE2-NH1 3.01Å; E90-Q94 VanDerWaalsContact O-CG 3.32Å; E90-Q94 WeakPolarHBondContact O-CG 3.36Å; E90-Q94 PolarHBondContact O-N 3.4Å
91E98.2Very high98.2Very high129 Ų129100.3 Ų100.360%0.60350%0.499SS*.Hα-helixtrans-62.6-44.7173.9-171.8171.2-171.800111.8K87 Q88 R93 Q94 Y95K87-E91 PolarHBondContact O-N 2.96Å; Q88-E91 PolarHBondContact O-N 2.94Å; E91-R93 VanDerWaalsContact C-N 3.31Å; E91-R93 PolarHBondContact O-N 3.24Å; E91-Q94 PolarHBondContact O-N 3.49Å; E91-Y95 PolarHBondContact O-N 3.45Å
92L98.1Very high98.2Very high123 Ų123100 Ų10064%0.64450%0.499SS*.Hα-helixtrans-61.8-38.9173.9-77.1172.1000112.3Q88 Q94 Y95 K96Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 2.83Å; L92-Q94 VanDerWaalsContact C-N 3.35Å; L92-Y95 PolarHBondContact O-N 3.01Å; L92-K96 WeakPolarHBondContact O-CB 3.44Å; L92-K96 PolarHBondContact O-N 3.3Å
93R98.2Very high98.2Very high157 Ų15799.3 Ų99.359%0.59249%0.493SS*.Hα-helixtrans-62.2-43.5175.4-179.9-170.7172.9-154-1.1111.1A89 E90 E91 K96 V97A89-R93 WeakPolarHBondContact O-CB 3.47Å; A89-R93 PolarHBondContact O-N 3.34Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 3.48Å; E90-R93 IonicContact OE1-NH1 2.68Å; E90-R93 PolarHBondContact OE1-NH1 2.94Å; E90-R93 WeakPolarHBondContact OE2-CD 3.5Å; E90-R93 IonicContact OE2-CZ 3.68Å; E90-R93 IonicContact OE2-NH1 3.84Å; E90-R93 PolarHBondContact OE2-NH1 3.01Å; E91-R93 VanDerWaalsContact C-N 3.31Å; E91-R93 PolarHBondContact O-N 3.24Å; R93-K96 PolarHBondContact O-N 2.93Å; R93-V97 WeakPolarHBondContact O-CG2 3.47Å; R93-V97 PolarHBondContact O-N 3.38Å; R93-V97 VanDerWaalsContact O-N 3.12Å
94Q98.4Very high98.2Very high117 Ų117103.8 Ų103.855%0.54750%0.497SS..Hα-helixtrans-64-45.1177.3-71.2173.110.600111.5E90 E91 L92 K96 V97 L98E90-Q94 VanDerWaalsContact O-CG 3.32Å; E90-Q94 WeakPolarHBondContact O-CG 3.36Å; E90-Q94 PolarHBondContact O-N 3.4Å; E91-Q94 PolarHBondContact O-N 3.49Å; L92-Q94 VanDerWaalsContact C-N 3.35Å; Q94-K96 VanDerWaalsContact C-N 3.33Å; Q94-K96 PolarHBondContact O-N 3Å; Q94-V97 PolarHBondContact O-N 3.11Å; Q94-L98 PolarHBondContact O-N 2.83Å
95Y98.3Very high98.2Very high152 Ų152105.6 Ų105.660%0.59651%0.505SS*.Hα-helixtrans-59-44.4175.9-177.7-102.7000111.7E91 L92 V97 L98 V99E91-Y95 PolarHBondContact O-N 3.45Å; L92-Y95 PolarHBondContact O-N 3.01Å; Y95-V97 VanDerWaalsContact C-N 3.32Å; Y95-V97 PolarHBondContact O-N 2.65Å; Y95-L98 WeakPolarHBondContact O-CB 3.32Å; Y95-L98 PolarHBondContact O-N 3.15Å; Y95-L98 VanDerWaalsContact O-N 3.12Å; Y95-V99 HydrophobicContact CD1-CG2 3.9Å; Y95-V99 HydrophobicContact CD2-CG2 4.45Å; Y95-V99 HydrophobicContact CE1-CG2 3.42Å; Y95-V99 VanDerWaalsContact CE1-CG2 3.42Å; Y95-V99 HydrophobicContact CE2-CG2 4.02Å; Y95-V99 HydrophobicContact CG-CG2 4.39Å; Y95-V99 VanDerWaalsContact CZ-CG2 3.48Å; Y95-V99 WeakPolarHBondContact O-CG2 3.42Å; Y95-V99 PolarHBondContact O-N 3.2Å
96K98.3Very high98.2Very high112 Ų112104.4 Ų104.449%0.48750%0.502SS..Hα-helixtrans-59.4-41176.8-175.7173.5-177.9176.40112.6L92 R93 Q94 L98 H100L92-K96 WeakPolarHBondContact O-CB 3.44Å; L92-K96 PolarHBondContact O-N 3.3Å; R93-K96 PolarHBondContact O-N 2.93Å; Q94-K96 VanDerWaalsContact C-N 3.33Å; Q94-K96 PolarHBondContact O-N 3Å; K96-L98 VanDerWaalsContact C-N 3.34Å; K96-H100 VanDerWaalsContact CE-NE2 3.29Å; K96-H100 WeakPolarHBondContact CE-NE2 3.42Å; K96-H100 WeakPolarHBondContact O-CB 3.41Å; K96-H100 PolarHBondContact O-CD2 2.95Å; K96-H100 PolarHBondContact O-N 3.39Å
97V98.1Very high98.1Very high96 Ų96102.5 Ų102.558%0.58250%0.496SS*.Hα-helixtrans-62.6-43175.7171.70000110.9R93 Q94 Y95 H100 A101R93-V97 WeakPolarHBondContact O-CG2 3.47Å; R93-V97 PolarHBondContact O-N 3.38Å; R93-V97 VanDerWaalsContact O-N 3.12Å; Q94-V97 PolarHBondContact O-N 3.11Å; Y95-V97 VanDerWaalsContact C-N 3.32Å; Y95-V97 PolarHBondContact O-N 2.65Å; V97-H100 PolarHBondContact O-N 3.06Å; V97-A101 PolarHBondContact O-N 3.42Å
98L98.4Very high98.1Very high111 Ų111101.6 Ų101.658%0.58149%0.493SS*.Hα-helixtrans-65.3-46.2179.2-177.662.4000112.1Q94 Y95 K96 H100 A101 Q102Q94-L98 PolarHBondContact O-N 2.83Å; Y95-L98 WeakPolarHBondContact O-CB 3.32Å; Y95-L98 PolarHBondContact O-N 3.15Å; Y95-L98 VanDerWaalsContact O-N 3.12Å; K96-L98 VanDerWaalsContact C-N 3.34Å; L98-H100 VanDerWaalsContact C-N 3.33Å; L98-H100 PolarHBondContact O-N 3.39Å; L98-A101 WeakPolarHBondContact O-CB 3.49Å; L98-A101 PolarHBondContact O-N 3.36Å; L98-Q102 PolarHBondContact O-N 3.21Å
99V98.4Very high98Very high38 Ų38101.6 Ų101.623%0.2350%0.496CS..Hα-helixtrans-57.3-47.8175.9170.70000110.4Y95 A101 Q102 E103Y95-V99 HydrophobicContact CD1-CG2 3.9Å; Y95-V99 HydrophobicContact CD2-CG2 4.45Å; Y95-V99 HydrophobicContact CE1-CG2 3.42Å; Y95-V99 VanDerWaalsContact CE1-CG2 3.42Å; Y95-V99 HydrophobicContact CE2-CG2 4.02Å; Y95-V99 HydrophobicContact CG-CG2 4.39Å; Y95-V99 VanDerWaalsContact CZ-CG2 3.48Å; Y95-V99 WeakPolarHBondContact O-CG2 3.42Å; Y95-V99 PolarHBondContact O-N 3.2Å; V99-A101 VanDerWaalsContact C-N 3.28Å; V99-A101 PolarHBondContact O-N 3.12Å; V99-Q102 PolarHBondContact O-N 2.94Å; V99-Q102 VanDerWaalsContact O-N 3.14Å; V99-E103 HydrophobicContact CG1-CG 4.31Å; V99-E103 WeakPolarHBondContact CG1-OE1 3.34Å; V99-E103 WeakPolarHBondContact O-CG 3.49Å; V99-E103 PolarHBondContact O-N 3.25Å
100H98.3Very high97.9Very high71 Ų71106.2 Ų106.233%0.32950%0.501SS..Hα-helixtrans-64.4-29.8176.4-74-45000113.6K96 V97 L98 E103 R104K96-H100 VanDerWaalsContact CE-NE2 3.29Å; K96-H100 WeakPolarHBondContact CE-NE2 3.42Å; K96-H100 WeakPolarHBondContact O-CB 3.41Å; K96-H100 PolarHBondContact O-CD2 2.95Å; K96-H100 PolarHBondContact O-N 3.39Å; V97-H100 PolarHBondContact O-N 3.06Å; L98-H100 VanDerWaalsContact C-N 3.33Å; L98-H100 PolarHBondContact O-N 3.39Å; H100-E103 IonicContact CE1-OE2 3.88Å; H100-E103 IonicContact CG-OE2 3Å; H100-E103 IonicContact ND1-OE2 4Å; H100-E103 PolarHBondContact ND1-OE2 3.42Å; H100-R104 VanDerWaalsContact C-NH1 3.3Å; H100-R104 VanDerWaalsContact O-CG 3.29Å; H100-R104 WeakPolarHBondContact O-CG 3.49Å; H100-R104 PolarHBondContact O-N 3.45Å; H100-R104 PolarHBondContact O-NH1 2.75Å
101A98.1Very high97.8Very high36 Ų36108 Ų10830%0.29851%0.509SS..Hα-helixtrans-67.2-46.9172.400000110.5V97 L98 V99 E103 R104 E105V97-A101 PolarHBondContact O-N 3.42Å; L98-A101 WeakPolarHBondContact O-CB 3.49Å; L98-A101 PolarHBondContact O-N 3.36Å; V99-A101 VanDerWaalsContact C-N 3.28Å; V99-A101 PolarHBondContact O-N 3.12Å; A101-E103 PolarHBondContact O-N 3.02Å; A101-R104 WeakPolarHBondContact O-CB 3.39Å; A101-R104 PolarHBondContact O-N 2.82Å; A101-E105 PolarHBondContact O-N 2.94Å
102Q98.5Very high97.8Very high113 Ų113108.6 Ų108.653%0.52851%0.51SS..Hα-helixtrans-63.9-39.9178.7-171.1177.1-1.800112.6L98 V99 R104 E105 L106L98-Q102 PolarHBondContact O-N 3.21Å; V99-Q102 PolarHBondContact O-N 2.94Å; V99-Q102 VanDerWaalsContact O-N 3.14Å; Q102-R104 VanDerWaalsContact C-N 3.31Å; Q102-R104 PolarHBondContact O-N 2.86Å; Q102-E105 PolarHBondContact O-N 3.41Å; Q102-L106 HydrophobicContact CG-CD1 4.37Å; Q102-L106 WeakPolarHBondContact O-CB 3.29Å; Q102-L106 WeakPolarHBondContact O-CG 3.48Å; Q102-L106 PolarHBondContact O-N 3.42Å
103E97.8Very high97.7Very high94 Ų94106.2 Ų106.244%0.43950%0.497SS..Hα-helixtrans-58.8-41.4173.9-75.1169.7171.800112V99 H100 A101 L106 T107V99-E103 HydrophobicContact CG1-CG 4.31Å; V99-E103 WeakPolarHBondContact CG1-OE1 3.34Å; V99-E103 WeakPolarHBondContact O-CG 3.49Å; V99-E103 PolarHBondContact O-N 3.25Å; H100-E103 IonicContact CE1-OE2 3.88Å; H100-E103 IonicContact CG-OE2 3Å; H100-E103 IonicContact ND1-OE2 4Å; H100-E103 PolarHBondContact ND1-OE2 3.42Å; A101-E103 PolarHBondContact O-N 3.02Å; E103-L106 PolarHBondContact O-N 3.49Å; E103-T107 WeakPolarHBondContact O-CB 3.28Å; E103-T107 PolarHBondContact O-N 3.16Å; E103-T107 PolarHBondContact O-OG1 3.42Å
104R97.9Very high97.6Very high153 Ų153106.2 Ų106.258%0.57750%0.497SS*.Hα-helixtrans-66.3-43.4176.6-71.5178.5-164.4103.1-3.9111.6H100 A101 Q102 T107 Q108H100-R104 VanDerWaalsContact C-NH1 3.3Å; H100-R104 VanDerWaalsContact O-CG 3.29Å; H100-R104 WeakPolarHBondContact O-CG 3.49Å; H100-R104 PolarHBondContact O-N 3.45Å; H100-R104 PolarHBondContact O-NH1 2.75Å; A101-R104 WeakPolarHBondContact O-CB 3.39Å; A101-R104 PolarHBondContact O-N 2.82Å; Q102-R104 VanDerWaalsContact C-N 3.31Å; Q102-R104 PolarHBondContact O-N 2.86Å; R104-T107 WeakPolarHBondContact O-CB 3.42Å; R104-T107 PolarHBondContact O-N 3.48Å; R104-Q108 WeakPolarHBondContact O-CG 3.45Å; R104-Q108 PolarHBondContact O-N 3.45Å
105E98.3Very high97.5Very high130 Ų130106.1 Ų106.161%0.60750%0.497SS*.Hα-helixtrans-63.7-42.9176.4-71.5-178.7-172.500111.9A101 Q102 T107 Q108 L109A101-E105 PolarHBondContact O-N 2.94Å; Q102-E105 PolarHBondContact O-N 3.41Å; E105-T107 VanDerWaalsContact C-N 3.31Å; E105-T107 PolarHBondContact O-N 2.84Å; E105-Q108 PolarHBondContact O-N 2.93Å; E105-L109 PolarHBondContact O-N 3.5Å
106L97.1Very high97.4Very high75 Ų75100.1 Ų100.139%0.39348%0.482SS..Hα-helixtrans-61.1-41.4174.5-77.3172.8000111.7Q102 E103 L109 R110Q102-L106 HydrophobicContact CG-CD1 4.37Å; Q102-L106 WeakPolarHBondContact O-CB 3.29Å; Q102-L106 WeakPolarHBondContact O-CG 3.48Å; Q102-L106 PolarHBondContact O-N 3.42Å; E103-L106 PolarHBondContact O-N 3.49Å; L106-L109 PolarHBondContact O-N 3.2Å; L106-R110 WeakPolarHBondContact O-CB 3.4Å; L106-R110 VanDerWaalsContact O-CG 3.28Å; L106-R110 WeakPolarHBondContact O-CG 3.35Å; L106-R110 PolarHBondContact O-N 3.32Å
107T96.9Very high97.4Very high83 Ų8397.5 Ų97.551%0.50947%0.469SS..Hα-helixtrans-61-46.3175.6-57.90000111E103 R104 E105 L109 R110 E111E103-T107 WeakPolarHBondContact O-CB 3.28Å; E103-T107 PolarHBondContact O-N 3.16Å; E103-T107 PolarHBondContact O-OG1 3.42Å; R104-T107 WeakPolarHBondContact O-CB 3.42Å; R104-T107 PolarHBondContact O-N 3.48Å; E105-T107 VanDerWaalsContact C-N 3.31Å; E105-T107 PolarHBondContact O-N 2.84Å; T107-L109 VanDerWaalsContact C-N 3.34Å; T107-L109 PolarHBondContact O-N 3.14Å; T107-R110 PolarHBondContact O-N 2.92Å; T107-E111 PolarHBondContact O-N 2.89Å
108Q98.1Very high97.3Very high112 Ų11296.2 Ų96.252%0.52346%0.458SS..Hα-helixtrans-62.9-38.4176.4-70.4173.410.400112.5R104 E105 E111 K112R104-Q108 WeakPolarHBondContact O-CG 3.45Å; R104-Q108 PolarHBondContact O-N 3.45Å; E105-Q108 PolarHBondContact O-N 2.93Å; Q108-E111 PolarHBondContact O-N 3.06Å; Q108-K112 WeakPolarHBondContact O-CG 3.29Å; Q108-K112 PolarHBondContact O-N 2.97Å
109L96.8Very high97.3Very high101 Ų10193.7 Ų93.753%0.52945%0.454SS..Hα-helixtrans-67.6-41.8177.3-175.662.1000111.5E105 L106 T107 E111 K112 L113E105-L109 PolarHBondContact O-N 3.5Å; L106-L109 PolarHBondContact O-N 3.2Å; T107-L109 VanDerWaalsContact C-N 3.34Å; T107-L109 PolarHBondContact O-N 3.14Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 3.12Å; L109-K112 PolarHBondContact O-N 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.45Å; L109-L113 PolarHBondContact O-N 2.97Å
110R95.6Very high97.2Very high156 Ų15692.6 Ų92.659%0.58945%0.448SS*.Hα-helixtrans-61.6-39.3174.9-75.4170.6173.2158.9-6.5111.9L106 T107 R114L106-R110 WeakPolarHBondContact O-CB 3.4Å; L106-R110 VanDerWaalsContact O-CG 3.28Å; L106-R110 WeakPolarHBondContact O-CG 3.35Å; L106-R110 PolarHBondContact O-N 3.32Å; T107-R110 PolarHBondContact O-N 2.92Å; R110-R114 WeakPolarHBondContact O-CB 3.47Å; R110-R114 PolarHBondContact O-N 3.47Å
111E96.9Very high97.1Very high110 Ų11094.5 Ų94.551%0.51445%0.452SS..Hα-helixtrans-62.9-50.3174.2-175.3172.5-150.100111.2T107 Q108 L109 L113 R114 E115T107-E111 PolarHBondContact O-N 2.89Å; Q108-E111 PolarHBondContact O-N 3.06Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 3.12Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.06Å; E111-R114 WeakPolarHBondContact O-CA 3.35Å; E111-R114 VanDerWaalsContact O-CB 3.29Å; E111-R114 WeakPolarHBondContact O-CB 3.39Å; E111-R114 PolarHBondContact O-N 3.44Å; E111-E115 WeakPolarHBondContact O-CG 3.4Å; E111-E115 PolarHBondContact O-N 3.31Å
112K97.1Very high97.1Very high140 Ų14095.1 Ų95.161%0.60945%0.454SS*.Hα-helixtrans-60.1-37.8176.8-73.6-179.2178.4177.10113.5Q108 L109 R114 G116Q108-K112 WeakPolarHBondContact O-CG 3.29Å; Q108-K112 PolarHBondContact O-N 2.97Å; L109-K112 PolarHBondContact O-N 3.31Å; K112-R114 VanDerWaalsContact C-N 3.32Å; K112-G116 PolarHBondContact O-N 3.06Å
113L95.6Very high97Very high74 Ų7493.9 Ų93.939%0.38745%0.451SS..Hα-helixtrans-64.2-38.8174.4-76173.2000111.5L109 E111 R117 L162L109-L113 WeakPolarHBondContact O-CG 3.45Å; L109-L113 PolarHBondContact O-N 2.97Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.06Å; L113-R117 WeakPolarHBondContact O-CB 3.49Å; L113-R117 PolarHBondContact O-N 2.97Å; L113-L162 HydrophobicContact CD2-CD2 3.61Å
114R96.3Very high96.9Very high157 Ų15790.2 Ų90.259%0.59243%0.434SS*.Hα-helixtrans-65.5-48.9175.4-170.2-176-52.5-163.10.1111.4R110 E111 K112 G116 R117 D118R110-R114 WeakPolarHBondContact O-CB 3.47Å; R110-R114 PolarHBondContact O-N 3.47Å; E111-R114 WeakPolarHBondContact O-CA 3.35Å; E111-R114 VanDerWaalsContact O-CB 3.29Å; E111-R114 WeakPolarHBondContact O-CB 3.39Å; E111-R114 PolarHBondContact O-N 3.44Å; K112-R114 VanDerWaalsContact C-N 3.32Å; R114-G116 VanDerWaalsContact C-N 3.33Å; R114-G116 PolarHBondContact O-N 3.3Å; R114-R117 WeakPolarHBondContact O-CB 3.46Å; R114-R117 PolarHBondContact O-N 3.43Å; R114-R117 VanDerWaalsContact O-N 3.11Å; R114-D118 PolarHBondContact O-N 3.44Å
115E97.3Very high96.8Very high114 Ų11487.9 Ų87.953%0.53343%0.43SS..Hα-helixtrans-57.2-45.9175.4-69.3176.7167.800111.6E111 R117 D118 A119E111-E115 WeakPolarHBondContact O-CG 3.4Å; E111-E115 PolarHBondContact O-N 3.31Å; E115-R117 VanDerWaalsContact C-N 3.32Å; E115-R117 PolarHBondContact O-N 2.91Å; E115-D118 PolarHBondContact O-N 3.25Å; E115-A119 WeakPolarHBondContact O-CB 3.5Å; E115-A119 PolarHBondContact O-N 3.28Å
116G96.7Very high96.6Very high27 Ų2787.3 Ų87.328%0.27843%0.427SS..Hα-helixtrans-62.1-38.517600000112.8K112 R114 S120K112-G116 PolarHBondContact O-N 3.06Å; R114-G116 VanDerWaalsContact C-N 3.33Å; R114-G116 PolarHBondContact O-N 3.3Å; G116-S120 WeakPolarHBondContact O-CB 3.32Å; G116-S120 PolarHBondContact O-N 2.97Å; G116-S120 PolarHBondContact O-OG 3.31Å
117R96.6Very high96.4Very high56 Ų5685.1 Ų85.121%0.21142%0.415CS..Hα-helixtrans-66.2-45.3175.6-169.8-167.3-54.1162.87.5111.2L113 R114 E115 S120 R121 V159 L162 P164L113-R117 WeakPolarHBondContact O-CB 3.49Å; L113-R117 PolarHBondContact O-N 2.97Å; R114-R117 WeakPolarHBondContact O-CB 3.46Å; R114-R117 PolarHBondContact O-N 3.43Å; R114-R117 VanDerWaalsContact O-N 3.11Å; E115-R117 VanDerWaalsContact C-N 3.32Å; E115-R117 PolarHBondContact O-N 2.91Å; R117-S120 PolarHBondContact O-N 3.24Å; R117-R121 PolarHBondContact O-N 2.76Å; R117-V159 HydrophobicContact CG-CG1 4.05Å; R117-L162 HydrophobicContact CB-CB 4.03Å; R117-L162 HydrophobicContact CB-CD1 4.5Å; R117-L162 HydrophobicContact CG-CB 4.38Å; R117-L162 VanDerWaalsContact CZ-O 3.31Å; R117-L162 PolarHBondContact NE-O 2.87Å; R117-L162 PolarHBondContact NH2-O 2.89Å; R117-P164 VanDerWaalsContact NH2-CD 3.34Å
118D96.9Very high96.1Very high69 Ų6985.8 Ų85.837%0.36941%0.413SS..Hα-helixtrans-67.1-40.8179.5-71.1-27.9000111.5R114 E115 S120 R121 S122R114-D118 PolarHBondContact O-N 3.44Å; E115-D118 PolarHBondContact O-N 3.25Å; D118-S120 VanDerWaalsContact C-N 3.34Å; D118-S120 PolarHBondContact O-N 3.31Å; D118-R121 PolarHBondContact O-N 2.76Å; D118-R121 IonicContact OD1-CZ 3.7Å; D118-R121 IonicContact OD1-NH1 3.39Å; D118-R121 PolarHBondContact OD1-NH1 3.41Å; D118-R121 IonicContact OD1-NH2 2.83Å; D118-S122 PolarHBondContact O-N 2.86Å
119A97.8Very high95.8Very high59 Ų5983.4 Ų83.449%0.48841%0.413SS..Hα-helixtrans-60.9-42171.400000111.9E115 R121 S122 L123E115-A119 WeakPolarHBondContact O-CB 3.5Å; E115-A119 PolarHBondContact O-N 3.28Å; A119-R121 VanDerWaalsContact C-N 3.35Å; A119-S122 PolarHBondContact O-N 3.02Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 PolarHBondContact O-N 2.95Å
120S97.1Very high95.4Very high15 Ų1584.2 Ų84.211%0.10542%0.417CS..Hα-helixtrans-65.1-37.8176-57.80000112G116 R117 D118 L123 N124G116-S120 WeakPolarHBondContact O-CB 3.32Å; G116-S120 PolarHBondContact O-N 2.97Å; G116-S120 PolarHBondContact O-OG 3.31Å; R117-S120 PolarHBondContact O-N 3.24Å; D118-S120 VanDerWaalsContact C-N 3.34Å; D118-S120 PolarHBondContact O-N 3.31Å; S120-L123 PolarHBondContact O-N 3.31Å; S120-N124 WeakPolarHBondContact O-CB 3.47Å; S120-N124 PolarHBondContact O-N 2.94Å
121R96.6Very high94.7Very high110 Ų11079 Ų7942%0.41540%0.4SS..Hα-helixtrans-63.6-49.4174.4-171.2-170.8-62.3124.65.6110.8R117 D118 A119 L123 N124 E125 V159R117-R121 PolarHBondContact O-N 2.76Å; D118-R121 PolarHBondContact O-N 2.76Å; D118-R121 IonicContact OD1-CZ 3.7Å; D118-R121 IonicContact OD1-NH1 3.39Å; D118-R121 PolarHBondContact OD1-NH1 3.41Å; D118-R121 IonicContact OD1-NH2 2.83Å; A119-R121 VanDerWaalsContact C-N 3.35Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-L123 PolarHBondContact O-N 3.05Å; R121-N124 WeakPolarHBondContact O-CB 3.36Å; R121-N124 PolarHBondContact O-N 2.88Å; R121-N124 VanDerWaalsContact O-N 3.17Å; R121-E125 WeakPolarHBondContact O-CG 3.36Å; R121-E125 PolarHBondContact O-N 3.11Å; R121-V159 HydrophobicContact CB-CG2 4.31Å
122S97.8Very high93.6Very high49 Ų4978.3 Ų78.334%0.34340%0.403SS..Hα-helixtrans-59.5-42.8177172.90000111.8D118 A119 N124 E125 H126D118-S122 PolarHBondContact O-N 2.86Å; A119-S122 PolarHBondContact O-N 3.02Å; S122-N124 PolarHBondContact O-N 3.34Å; S122-E125 PolarHBondContact O-N 2.72Å; S122-H126 PolarHBondContact O-CD2 3.06Å; S122-H126 PolarHBondContact O-N 3.36Å; S122-H126 PolarHBondContact OG-NE2 3.41Å
123L96.7Very high92.1Very high87 Ų8777.1 Ų77.146%0.45541%0.41SS..Hα-helixtrans-59.5-46.5174.3176.962.8000111.7A119 S120 R121 E125 H126 L127 A155A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 PolarHBondContact O-N 2.95Å; S120-L123 PolarHBondContact O-N 3.31Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-L123 PolarHBondContact O-N 3.05Å; L123-E125 PolarHBondContact O-N 3.1Å; L123-H126 PolarHBondContact O-N 3.1Å; L123-L127 HydrophobicContact CD1-CD1 4.09Å; L123-L127 HydrophobicContact CD1-CG 4.15Å; L123-L127 HydrophobicContact CG-CD1 3.98Å; L123-L127 HydrophobicContact CG-CG 4.45Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.91Å; L123-A155 HydrophobicContact CD2-CB 4.32Å; L123-A155 HydrophobicContact CG-CB 4.36Å
124N95.3Very high90.8Very high17 Ų1780.9 Ų80.99%0.09143%0.431CS..Hα-helixtrans-60.9-43.8177.8-177.852.9000111.7S120 R121 S122 H126 L127 Q128 C152 A155S120-N124 WeakPolarHBondContact O-CB 3.47Å; S120-N124 PolarHBondContact O-N 2.94Å; R121-N124 WeakPolarHBondContact O-CB 3.36Å; R121-N124 PolarHBondContact O-N 2.88Å; R121-N124 VanDerWaalsContact O-N 3.17Å; S122-N124 PolarHBondContact O-N 3.34Å; N124-H126 PolarHBondContact O-N 2.93Å; N124-L127 PolarHBondContact O-N 2.94Å; N124-Q128 PolarHBondContact ND2-NE2 3.17Å; N124-Q128 VanDerWaalsContact ND2-NE2 3.14Å; N124-Q128 WeakPolarHBondContact O-CB 3.32Å; N124-Q128 VanDerWaalsContact O-CG 3.25Å; N124-Q128 WeakPolarHBondContact O-CG 3.4Å; N124-Q128 PolarHBondContact O-N 2.92Å; N124-C152 PolarHBondContact OD1-O 3.04Å; N124-A155 HydrophobicContact CB-CB 3.75Å
125E94.6Very high89.1Confident105 Ų10582.7 Ų82.749%0.49145%0.446SS..Hα-helixtrans-59.5-44.6175.6-72168.3-172.900111.7R121 S122 L123 Q128 A129R121-E125 WeakPolarHBondContact O-CG 3.36Å; R121-E125 PolarHBondContact O-N 3.11Å; S122-E125 PolarHBondContact O-N 2.72Å; L123-E125 PolarHBondContact O-N 3.1Å; E125-Q128 PolarHBondContact O-N 3.38Å; E125-A129 PolarHBondContact O-N 3.43Å
126H95Very high87.4Confident117 Ų11781.1 Ų81.154%0.54245%0.446SS..Hα-helixtrans-64.4-43.1176.7-72.3-50.5000112.6S122 L123 N124 Q128 A129 L130S122-H126 PolarHBondContact O-CD2 3.06Å; S122-H126 PolarHBondContact O-N 3.36Å; S122-H126 PolarHBondContact OG-NE2 3.41Å; L123-H126 PolarHBondContact O-N 3.1Å; N124-H126 PolarHBondContact O-N 2.93Å; H126-Q128 VanDerWaalsContact C-N 3.34Å; H126-A129 PolarHBondContact O-N 3.25Å; H126-L130 WeakPolarHBondContact O-CG 3.41Å; H126-L130 PolarHBondContact O-N 2.88Å; H126-L130 VanDerWaalsContact O-N 3.11Å
127L92.9Very high85.7Confident29 Ų2987.1 Ų87.115%0.15247%0.471CS..Hα-helixtrans-65.1-38.5176.6-69.2171.9000111.8L123 N124 L130 L131 L148 C152 A155L123-L127 HydrophobicContact CD1-CD1 4.09Å; L123-L127 HydrophobicContact CD1-CG 4.15Å; L123-L127 HydrophobicContact CG-CD1 3.98Å; L123-L127 HydrophobicContact CG-CG 4.45Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.91Å; N124-L127 PolarHBondContact O-N 2.94Å; L127-L130 PolarHBondContact O-N 3.47Å; L127-L131 PolarHBondContact O-N 2.95Å; L127-L148 HydrophobicContact CD2-CD2 3.73Å; L127-C152 WeakPolarHBondContact CB-SG 3.33Å; L127-A155 HydrophobicContact CD1-CB 4.45Å
128Q91.3Very high84.2Confident98 Ų9894 Ų9446%0.45850%0.503SS..Hα-helixtrans-64.5-39.1174.1-74.1179.1-0.200112.1N124 E125 H126 L130 L131 T132N124-Q128 PolarHBondContact ND2-NE2 3.17Å; N124-Q128 VanDerWaalsContact ND2-NE2 3.14Å; N124-Q128 WeakPolarHBondContact O-CB 3.32Å; N124-Q128 VanDerWaalsContact O-CG 3.25Å; N124-Q128 WeakPolarHBondContact O-CG 3.4Å; N124-Q128 PolarHBondContact O-N 2.92Å; E125-Q128 PolarHBondContact O-N 3.38Å; H126-Q128 VanDerWaalsContact C-N 3.34Å; Q128-L130 VanDerWaalsContact C-N 3.28Å; Q128-L130 PolarHBondContact O-N 3.27Å; Q128-L131 WeakPolarHBondContact O-CB 3.25Å; Q128-L131 PolarHBondContact O-N 2.86Å; Q128-L131 VanDerWaalsContact O-N 3.13Å; Q128-T132 PolarHBondContact O-N 3.32Å
129A91.2Very high82.6Confident62 Ų6295.7 Ų95.751%0.51252%0.52SS..Hα-helixtrans-63.5-34.3174.600000112.3E125 H126 L131 T132E125-A129 PolarHBondContact O-N 3.43Å; H126-A129 PolarHBondContact O-N 3.25Å; A129-L131 VanDerWaalsContact C-N 3.33Å; A129-T132 WeakPolarHBondContact O-CB 3.49Å; A129-T132 PolarHBondContact O-N 3.44Å; A129-T132 PolarHBondContact O-OG1 3.46Å
130L87.8Confident80.9Confident118 Ų118101.5 Ų101.562%0.61854%0.537SS*.Hα-helixtrans-73.2-24.8173.8-66.4173.8000113.2H126 L127 Q128 T132 L148H126-L130 WeakPolarHBondContact O-CG 3.41Å; H126-L130 PolarHBondContact O-N 2.88Å; H126-L130 VanDerWaalsContact O-N 3.11Å; L127-L130 PolarHBondContact O-N 3.47Å; Q128-L130 VanDerWaalsContact C-N 3.28Å; Q128-L130 PolarHBondContact O-N 3.27Å; L130-T132 VanDerWaalsContact C-N 3.25Å; L130-L148 HydrophobicContact CB-CD1 4.21Å; L130-L148 HydrophobicContact CB-CD2 4.31Å; L130-L148 HydrophobicContact CD1-CD2 4.17Å
131L82.4Confident79.7Confident46 Ų46102.2 Ų102.224%0.24155%0.547CS..THydrogen-bonded Turntrans-78.6-5.7173.2-76.7170.9000113.6L127 Q128 A129 Q145 L148 A149 C152L127-L131 PolarHBondContact O-N 2.95Å; Q128-L131 WeakPolarHBondContact O-CB 3.25Å; Q128-L131 PolarHBondContact O-N 2.86Å; Q128-L131 VanDerWaalsContact O-N 3.13Å; A129-L131 VanDerWaalsContact C-N 3.33Å; L131-Q145 HydrophobicContact CD2-CG 3.99Å; L131-L148 HydrophobicContact CD2-CB 3.6Å; L131-L148 HydrophobicContact CG-CB 3.94Å; L131-A149 HydrophobicContact CD1-CB 4.45Å; L131-A149 HydrophobicContact CD2-CB 4.43Å; L131-C152 HydrophobicContact CD1-CB 4.39Å; L131-C152 WeakPolarHBondContact CD1-SG 3.32Å
132T73.1Confident78.9Confident95 Ų95103.5 Ų103.558%0.58356%0.558SS**SBendtrans-53.9128.7176-46.30000109Q128 A129 L130 D134Q128-T132 PolarHBondContact O-N 3.32Å; A129-T132 WeakPolarHBondContact O-CB 3.49Å; A129-T132 PolarHBondContact O-N 3.44Å; A129-T132 PolarHBondContact O-OG1 3.46Å; L130-T132 VanDerWaalsContact C-N 3.25Å; T132-D134 VanDerWaalsContact C-N 3.31Å; T132-D134 PolarHBondContact O-N 2.73Å
133P66Low78.2Confident116 Ų116106.9 Ų106.975%0.75357%0.572SS**  trans-76.282.4-172.829.5-33.4000110.3
134D66.6Low77.6Confident153 Ų153107.8 Ų107.882%0.81858%0.577SS**  trans-77.5138.6153.9-110.3-9.7000108.4T132 P136T132-D134 VanDerWaalsContact C-N 3.31Å; T132-D134 PolarHBondContact O-N 2.73Å; D134-P136 WeakPolarHBondContact O-CD 3.24Å
135E61.2Low77.2Confident195 Ų195111.4 Ų111.491%0.91159%0.593SS**  trans-48.1105.1-171-128.4171.8178.200111.5
136P61.6Low76.9Confident81 Ų81112.5 Ų112.553%0.52660%0.598SS.*  trans-89.1133.1-171.230.3-27.9000111.9D134 K138D134-P136 WeakPolarHBondContact O-CD 3.24Å; P136-K138 PolarHBondContact O-N 3.36Å
137D62Low76.7Confident153 Ų153113.3 Ų113.382%0.81860%0.602SS**  trans-63.3128.4168.1-93.5-33.8000110.8S139D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 PolarHBondContact O-N 3.14Å
138K64.2Low76.7Confident199 Ų199113.4 Ų113.487%0.86560%0.603SS**THydrogen-bonded Turntrans-78.436.1-151-62.9179.1178.5174.10117.8P136P136-K138 PolarHBondContact O-N 3.36Å
139S63.9Low76.7Confident106 Ų106110.3 Ų110.374%0.74159%0.594SS**THydrogen-bonded Turntrans-158-28.6171.653.60000117.4D137D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 PolarHBondContact O-N 3.14Å
140Q62.2Low76.8Confident180 Ų180111.8 Ų111.884%0.84159%0.59SS**THydrogen-bonded Turntrans-97.8-18.9-177.5-165.5169.5-21.900113.4
141G71.3Confident77.2Confident30 Ų30107.1 Ų107.131%0.30957%0.57SS.*Hα-helixtrans-81.8-13.4-178.300000115.2L144 Q145G141-L144 PolarHBondContact O-N 3.3Å; G141-Q145 VanDerWaalsContact O-CB 3.28Å; G141-Q145 WeakPolarHBondContact O-CB 3.42Å; G141-Q145 PolarHBondContact O-N 3.27Å
142Q79.2Confident77.8Confident138 Ų138105.5 Ų105.565%0.64556%0.563SS**Hα-helixtrans-75.9-43.8-167.1-154.4154.9-5.800112.8L144 Q145 E146Q142-L144 VanDerWaalsContact C-N 3.31Å; Q142-L144 PolarHBondContact O-N 2.97Å; Q142-Q145 PolarHBondContact O-N 3.47Å; Q142-E146 PolarHBondContact O-N 3.12Å
143D83.9Confident78.8Confident120 Ų120107.6 Ų107.664%0.64256%0.56SS**Hα-helixtrans-62.9-39.8173.4-66.3-5.7000111.3Q145 E146 Q147D143-Q145 VanDerWaalsContact C-N 3.35Å; D143-E146 PolarHBondContact O-N 3.28Å; D143-Q147 WeakPolarHBondContact O-CG 3.47Å; D143-Q147 PolarHBondContact O-N 3.14Å
144L84.4Confident80.3Confident105 Ų105106.9 Ų106.955%0.5555%0.549SS..Hα-helixtrans-66.3-38.1177.2-175.3127.9000111.6G141 Q142 Q147 L148G141-L144 PolarHBondContact O-N 3.3Å; Q142-L144 VanDerWaalsContact C-N 3.31Å; Q142-L144 PolarHBondContact O-N 2.97Å; L144-Q147 PolarHBondContact O-N 3.25Å; L144-L148 HydrophobicContact CD2-CD1 3.77Å; L144-L148 HydrophobicContact CG-CD1 4.48Å; L144-L148 WeakPolarHBondContact O-CB 3.33Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 3.3Å
145Q86.5Confident81.8Confident94 Ų9499.7 Ų99.744%0.43951%0.511SS..Hα-helixtrans-66.9-39.8175.4-171.61758.600111.8L131 G141 Q142 D143 L148 A149L131-Q145 HydrophobicContact CD2-CG 3.99Å; G141-Q145 VanDerWaalsContact O-CB 3.28Å; G141-Q145 WeakPolarHBondContact O-CB 3.42Å; G141-Q145 PolarHBondContact O-N 3.27Å; Q142-Q145 PolarHBondContact O-N 3.47Å; D143-Q145 VanDerWaalsContact C-N 3.35Å; Q145-L148 PolarHBondContact O-N 3.49Å; Q145-A149 WeakPolarHBondContact O-CB 3.43Å; Q145-A149 PolarHBondContact O-N 2.91Å
146E88.8Confident83.4Confident128 Ų12895.2 Ų95.260%0.59849%0.49SS*.Hα-helixtrans-63.5-43.3173.8-174.4168.9-165.200111.4Q142 D143 A149 E150Q142-E146 PolarHBondContact O-N 3.12Å; D143-E146 PolarHBondContact O-N 3.28Å; E146-A149 PolarHBondContact O-N 2.95Å; E146-E150 WeakPolarHBondContact O-CB 3.35Å; E146-E150 PolarHBondContact O-N 3.34Å
147Q91Very high85Confident134 Ų13496.1 Ų96.163%0.62649%0.487SS*.Hα-helixtrans-62.1-41.5174.7-74.5-179-17.900112.8D143 L144 E150 G151D143-Q147 WeakPolarHBondContact O-CG 3.47Å; D143-Q147 PolarHBondContact O-N 3.14Å; L144-Q147 PolarHBondContact O-N 3.25Å; Q147-E150 PolarHBondContact O-N 2.95Å; Q147-G151 PolarHBondContact O-N 3.29Å
148L91.3Very high86.6Confident31 Ų3192.5 Ų92.516%0.16247%0.468CS..Hα-helixtrans-66.5-40.2175.7-76.2170.8000112.1L127 L130 L131 L144 Q145 G151 C152L127-L148 HydrophobicContact CD2-CD2 3.73Å; L130-L148 HydrophobicContact CB-CD1 4.21Å; L130-L148 HydrophobicContact CB-CD2 4.31Å; L130-L148 HydrophobicContact CD1-CD2 4.17Å; L131-L148 HydrophobicContact CD2-CB 3.6Å; L131-L148 HydrophobicContact CG-CB 3.94Å; L144-L148 HydrophobicContact CD2-CD1 3.77Å; L144-L148 HydrophobicContact CG-CD1 4.48Å; L144-L148 WeakPolarHBondContact O-CB 3.33Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 3.3Å; Q145-L148 PolarHBondContact O-N 3.49Å; L148-G151 PolarHBondContact O-N 3.33Å; L148-C152 PolarHBondContact O-N 2.92Å; L148-C152 PolarHBondContact O-SG 2.98Å; L148-C152 VanDerWaalsContact O-SG 3.33Å
149A91.3Very high88.1Confident32 Ų3284.5 Ų84.526%0.26444%0.435SS..Hα-helixtrans-65-40.2175.500000111.6L131 Q145 E146 C152 R153L131-A149 HydrophobicContact CD1-CB 4.45Å; L131-A149 HydrophobicContact CD2-CB 4.43Å; Q145-A149 WeakPolarHBondContact O-CB 3.43Å; Q145-A149 PolarHBondContact O-N 2.91Å; E146-A149 PolarHBondContact O-N 2.95Å; A149-C152 PolarHBondContact O-N 3.43Å; A149-R153 WeakPolarHBondContact O-CG 3.41Å; A149-R153 PolarHBondContact O-N 3.38Å; A149-R153 VanDerWaalsContact O-N 3.11Å
150E94.8Very high89.4Confident93 Ų9385.4 Ų85.444%0.43543%0.428SS..Hα-helixtrans-63.1-43.4171.5-174.1167.5-156.300112E146 Q147 C152 R153 L154E146-E150 WeakPolarHBondContact O-CB 3.35Å; E146-E150 PolarHBondContact O-N 3.34Å; Q147-E150 PolarHBondContact O-N 2.95Å; E150-C152 VanDerWaalsContact C-N 3.3Å; E150-C152 PolarHBondContact O-N 2.94Å; E150-R153 WeakPolarHBondContact O-CB 3.34Å; E150-R153 PolarHBondContact O-N 2.89Å; E150-R153 VanDerWaalsContact O-N 3.13Å; E150-L154 HydrophobicContact CG-CD1 4.21Å; E150-L154 HydrophobicContact CG-CG 4.46Å; E150-L154 WeakPolarHBondContact O-CG 3.48Å; E150-L154 PolarHBondContact O-N 3.49Å
151G95.3Very high90.9Very high20 Ų2084.3 Ų84.321%0.20642%0.42CS..Hα-helixtrans-55.4-43.1173.500000112.8Q147 L148 L154 A155Q147-G151 PolarHBondContact O-N 3.29Å; L148-G151 PolarHBondContact O-N 3.33Å; G151-L154 PolarHBondContact O-N 3.32Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 3.48Å
152C94.2Very high91.9Very high12 Ų1285 Ų858%0.08142%0.416CS..Hα-helixtrans-62.2-46.3174.8-67.80000112.1N124 L127 L131 L148 A149 E150 L154 A155 Q156N124-C152 PolarHBondContact OD1-O 3.04Å; L127-C152 WeakPolarHBondContact CB-SG 3.33Å; L131-C152 HydrophobicContact CD1-CB 4.39Å; L131-C152 WeakPolarHBondContact CD1-SG 3.32Å; L148-C152 PolarHBondContact O-N 2.92Å; L148-C152 PolarHBondContact O-SG 2.98Å; L148-C152 VanDerWaalsContact O-SG 3.33Å; A149-C152 PolarHBondContact O-N 3.43Å; E150-C152 VanDerWaalsContact C-N 3.3Å; E150-C152 PolarHBondContact O-N 2.94Å; C152-L154 VanDerWaalsContact C-N 3.29Å; C152-L154 PolarHBondContact O-N 3.47Å; C152-A155 PolarHBondContact O-N 3.3Å; C152-Q156 WeakPolarHBondContact O-CB 3.38Å; C152-Q156 PolarHBondContact O-N 3.5Å
153R96.1Very high92.4Very high140 Ų14080.6 Ų80.653%0.52840%0.401SS..Hα-helixtrans-58.3-43.2177-68.7-170.8-56.3-102.14.3111.3A149 E150 H157A149-R153 WeakPolarHBondContact O-CG 3.41Å; A149-R153 PolarHBondContact O-N 3.38Å; A149-R153 VanDerWaalsContact O-N 3.11Å; E150-R153 WeakPolarHBondContact O-CB 3.34Å; E150-R153 PolarHBondContact O-N 2.89Å; E150-R153 VanDerWaalsContact O-N 3.13Å; R153-H157 WeakPolarHBondContact O-CB 3.45Å; R153-H157 PolarHBondContact O-N 3.11Å
154L97Very high92.1Very high101 Ų10179.5 Ų79.553%0.52940%0.401SS..Hα-helixtrans-68.1-44.4179.3-68.4174.3000112.3E150 G151 C152 Q156 H157 L158E150-L154 HydrophobicContact CG-CD1 4.21Å; E150-L154 HydrophobicContact CG-CG 4.46Å; E150-L154 WeakPolarHBondContact O-CG 3.48Å; E150-L154 PolarHBondContact O-N 3.49Å; G151-L154 PolarHBondContact O-N 3.32Å; C152-L154 VanDerWaalsContact C-N 3.29Å; C152-L154 PolarHBondContact O-N 3.47Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 3.06Å; L154-H157 PolarHBondContact O-N 3.13Å; L154-L158 WeakPolarHBondContact O-CG 3.35Å; L154-L158 PolarHBondContact O-N 3.35Å
155A96.9Very high91.4Very high2 Ų284.1 Ų84.12%0.01742%0.419CS..Hα-helixtrans-63.2-41.3177.400000111.6L123 N124 L127 G151 C152 L158 V159L123-A155 HydrophobicContact CD2-CB 4.32Å; L123-A155 HydrophobicContact CG-CB 4.36Å; N124-A155 HydrophobicContact CB-CB 3.75Å; L127-A155 HydrophobicContact CD1-CB 4.45Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 3.48Å; C152-A155 PolarHBondContact O-N 3.3Å; A155-L158 WeakPolarHBondContact O-CB 3.49Å; A155-L158 PolarHBondContact O-N 2.99Å; A155-V159 WeakPolarHBondContact O-CG2 3.42Å; A155-V159 PolarHBondContact O-N 2.89Å; A155-V159 VanDerWaalsContact O-N 3.12Å
156Q95.1Very high89.9Confident101 Ų10186.4 Ų86.447%0.47243%0.434SS..Hα-helixtrans-64.8-40.1174.5-170.5170.724.600112.3C152 L154 L158 V159 Q160C152-Q156 WeakPolarHBondContact O-CB 3.38Å; C152-Q156 PolarHBondContact O-N 3.5Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 3.06Å; Q156-L158 VanDerWaalsContact C-N 3.33Å; Q156-L158 PolarHBondContact O-N 3Å; Q156-V159 WeakPolarHBondContact O-CB 3.49Å; Q156-V159 PolarHBondContact O-N 3.47Å; Q156-Q160 PolarHBondContact O-N 3.28Å; Q156-Q160 VanDerWaalsContact O-N 3.14Å
157H95.7Very high88.3Confident99 Ų9986.8 Ų86.846%0.45844%0.441SS..Hα-helixtrans-64-36.4174.7-178.9-99.6000112.3R153 L154 Q160 K161R153-H157 WeakPolarHBondContact O-CB 3.45Å; R153-H157 PolarHBondContact O-N 3.11Å; L154-H157 PolarHBondContact O-N 3.13Å; H157-Q160 PolarHBondContact O-N 3.37Å; H157-K161 WeakPolarHBondContact O-CB 3.1Å; H157-K161 PolarHBondContact O-N 2.62Å
158L95.2Very high86.2Confident78 Ų7887.4 Ų87.441%0.40845%0.448SS..Hα-helixtrans-63.6-40.9172.8-74.9168.8000112.3L154 A155 Q156 Q160 K161 L162L154-L158 WeakPolarHBondContact O-CG 3.35Å; L154-L158 PolarHBondContact O-N 3.35Å; A155-L158 WeakPolarHBondContact O-CB 3.49Å; A155-L158 PolarHBondContact O-N 2.99Å; Q156-L158 VanDerWaalsContact C-N 3.33Å; Q156-L158 PolarHBondContact O-N 3Å; L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 2.94Å; L158-K161 PolarHBondContact O-N 3.36Å; L158-L162 WeakPolarHBondContact O-CB 3.28Å; L158-L162 VanDerWaalsContact O-CG 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.36Å; L158-L162 PolarHBondContact O-N 3.34Å
159V95.1Very high84.1Confident30 Ų3092.3 Ų92.318%0.18247%0.474CS..Hα-helixtrans-58.8-44.4174.6172.70000111.2R117 R121 A155 Q156 S163R117-V159 HydrophobicContact CG-CG1 4.05Å; R121-V159 HydrophobicContact CB-CG2 4.31Å; A155-V159 WeakPolarHBondContact O-CG2 3.42Å; A155-V159 PolarHBondContact O-N 2.89Å; A155-V159 VanDerWaalsContact O-N 3.12Å; Q156-V159 WeakPolarHBondContact O-CB 3.49Å; Q156-V159 PolarHBondContact O-N 3.47Å; V159-S163 PolarHBondContact O-N 3.13Å; V159-S163 VanDerWaalsContact O-N 3.1Å; V159-S163 PolarHBondContact O-OG 3.07Å
160Q92.6Very high82.1Confident126 Ų12698 Ų9859%0.58950%0.501SS*.Hα-helixtrans-63.8-45.7177.3-69.3172.9-3.600111.4Q156 H157 L158 L162 S163Q156-Q160 PolarHBondContact O-N 3.28Å; Q156-Q160 VanDerWaalsContact O-N 3.14Å; H157-Q160 PolarHBondContact O-N 3.37Å; L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 2.94Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.36Å; Q160-S163 VanDerWaalsContact O-CB 3.32Å; Q160-S163 WeakPolarHBondContact O-CB 3.34Å; Q160-S163 PolarHBondContact O-N 2.84Å; Q160-S163 VanDerWaalsContact O-N 3.1Å
161K93.3Very high80.1Confident157 Ų15799.8 Ų99.868%0.68351%0.513SS*.Hα-helixtrans-66.9-30.4-179.1-163.6176.3-141-177.80113.9H157 L158 S163H157-K161 WeakPolarHBondContact O-CB 3.1Å; H157-K161 PolarHBondContact O-N 2.62Å; L158-K161 PolarHBondContact O-N 3.36Å; K161-S163 VanDerWaalsContact C-N 3.33Å
162L92.7Very high78Confident43 Ų43106.4 Ų106.423%0.22554%0.539CS..THydrogen-bonded Turntrans-89-2.8176.3-63.8173.3000112.4L113 R117 L158 Q160L113-L162 HydrophobicContact CD2-CD2 3.61Å; R117-L162 HydrophobicContact CB-CB 4.03Å; R117-L162 HydrophobicContact CB-CD1 4.5Å; R117-L162 HydrophobicContact CG-CB 4.38Å; R117-L162 VanDerWaalsContact CZ-O 3.31Å; R117-L162 PolarHBondContact NE-O 2.87Å; R117-L162 PolarHBondContact NH2-O 2.89Å; L158-L162 WeakPolarHBondContact O-CB 3.28Å; L158-L162 VanDerWaalsContact O-CG 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.36Å; L158-L162 PolarHBondContact O-N 3.34Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.36Å
163S89Confident75.9Confident46 Ų46113 Ų11332%0.32257%0.573SS.*SBendtrans-76.1148.1170.6-63.20000109.5V159 Q160 K161 E165V159-S163 PolarHBondContact O-N 3.13Å; V159-S163 VanDerWaalsContact O-N 3.1Å; V159-S163 PolarHBondContact O-OG 3.07Å; Q160-S163 VanDerWaalsContact O-CB 3.32Å; Q160-S163 WeakPolarHBondContact O-CB 3.34Å; Q160-S163 PolarHBondContact O-N 2.84Å; Q160-S163 VanDerWaalsContact O-N 3.1Å; K161-S163 VanDerWaalsContact C-N 3.33Å; S163-E165 PolarHBondContact O-N 3.42Å
164P77.6Confident73.5Confident98 Ų98111.8 Ų111.864%0.63658%0.581SS**  trans-62.6133.5176-6.625.3000107.4R117 N166R117-P164 VanDerWaalsContact NH2-CD 3.34Å; P164-N166 PolarHBondContact O-N 3.11Å
165E69.8Low71Confident201 Ų201115 Ų11594%0.93959%0.593SS**SBendtrans-82107171.7-166.9138.8-157.800107.2S163S163-E165 PolarHBondContact O-N 3.42Å
166N54.8Low68.6Low142 Ų142120.7 Ų120.776%0.75963%0.628SS**SBendtrans113.2123.9173.5-161.435.7000115.8P164P164-N166 PolarHBondContact O-N 3.11Å
167D55.4Low66.2Low137 Ų137124 Ų12473%0.73364%0.643SS**SBendtrans-66.8153.8166.8-66.6-57000111
168N46.5Very low64.1Low147 Ų147124.8 Ų124.879%0.78665%0.654SS**  trans88.660-178.9-44.4-69.1000116.3
169D48.6Very low61.6Low133 Ų133124.8 Ų124.871%0.71167%0.666SS**  trans-104.589.7141.8-83.7-26.4000106.1D171D169-D171 PolarHBondContact O-N 3.25Å
170D48.4Very low59.4Low153 Ų153131.6 Ų131.682%0.81870%0.696SS**  trans-6281.8148.6-87.7-31.9000105.3E172D170-E172 PolarHBondContact O-N 3.33Å
171D52.9Low57.1Low129 Ų129134.5 Ų134.569%0.6971%0.706SS**  trans-68.863165.1-74.9-35.9000107.8D169 D173D169-D171 PolarHBondContact O-N 3.25Å; D171-D173 VanDerWaalsContact C-N 3.28Å; D171-D173 PolarHBondContact O-N 2.97Å; D171-D173 VanDerWaalsContact O-N 3.11Å
172E50.2Low54.8Low159 Ų159133 Ų13374%0.74371%0.71SS**  trans-66.8102.9149.6-73.9-70.5165.800104.6D170 V174D170-E172 PolarHBondContact O-N 3.33Å; E172-V174 PolarHBondContact O-N 2.86Å
173D51.5Low52.2Low150 Ų150139.1 Ų139.180%0.80274%0.738SS**  trans-49.980.2166-88.7-35.2000109.1D171 Q175D171-D173 VanDerWaalsContact C-N 3.28Å; D171-D173 PolarHBondContact O-N 2.97Å; D171-D173 VanDerWaalsContact O-N 3.11Å; D173-Q175 PolarHBondContact O-N 2.9Å
174V44.8Very low50Low116 Ų116146.2 Ų146.270%0.70376%0.763SS**  trans-72.687.5161.4-177.90000104.1E172 V176E172-V174 PolarHBondContact O-N 2.86Å; V174-V176 PolarHBondContact O-N 3.43Å
175Q43.9Very low48.1Very low168 Ų168147.4 Ų147.479%0.78577%0.773SS**  trans-47.2102.9153-69.6-1747.700105.8D173 E177D173-Q175 PolarHBondContact O-N 2.9Å; Q175-E177 PolarHBondContact O-N 3.37Å
176V48.2Very low46.5Very low121 Ų121143.5 Ų143.573%0.73377%0.768SS**  trans-68.585.7169.1-173.80000104.3V174 V178V174-V176 PolarHBondContact O-N 3.43Å; V176-V178 VanDerWaalsContact C-N 3.35Å; V176-V178 PolarHBondContact O-N 2.92Å
177E44.6Very low45.5Very low171 Ų171141.1 Ų141.180%0.79977%0.768SS**  trans-49.2109.5162.2-93.6-167.1146.900105.3Q175 A179Q175-E177 PolarHBondContact O-N 3.37Å; E177-A179 PolarHBondContact O-N 3.36Å
178V51.6Low44.9Very low115 Ų115140.8 Ų140.870%0.69777%0.774SS**  trans-61.387.9169.5175.40000105.7V176 E180V176-V178 VanDerWaalsContact C-N 3.35Å; V176-V178 PolarHBondContact O-N 2.92Å; V178-E180 PolarHBondContact O-N 3.4Å
179A42.8Very low44.6Very low79 Ų79146 Ų14665%0.65378%0.782SS**  trans-75.178.2173.100000107.9E177 K181E177-A179 PolarHBondContact O-N 3.36Å; A179-K181 PolarHBondContact O-N 3.27Å
180E48.8Very low44Very low173 Ų173147.8 Ų147.881%0.80879%0.787SS**  trans-62.382.6153.1-167.8-177.7-175.600107.5V178V178-E180 PolarHBondContact O-N 3.4Å
181K44.5Very low43.2Very low186 Ų186148.7 Ų148.781%0.80979%0.788SS**  trans-11674.8166.4-73.1-173.5-178.2173.90109A179 Q183A179-K181 PolarHBondContact O-N 3.27Å; K181-Q183 VanDerWaalsContact C-N 3.33Å; K181-Q183 PolarHBondContact O-N 2.87Å; K181-Q183 VanDerWaalsContact O-N 3.1Å
182V44.2Very low42.2Very low126 Ų126151.8 Ų151.876%0.76480%0.798SS**  trans-60.6100.1146.5174.20000106.8
183Q37.6Very low41.9Very low171 Ų171154.4 Ų154.480%0.79981%0.807SS**  trans-163.7112.9150.4-112.7168.85700113.1K181K181-Q183 VanDerWaalsContact C-N 3.33Å; K181-Q183 PolarHBondContact O-N 2.87Å; K181-Q183 VanDerWaalsContact O-N 3.1Å
184K42.4Very low41.2Very low196 Ų196151.8 Ų151.885%0.85281%0.806SS**  trans52.397.2139.6-83167.6171.4166.50118
185S38Very low40.9Very low122 Ų122154 Ų15485%0.85381%0.809SS**  -144.9106.2126.4600000110.4
186S37.8Very low40.6Very low120 Ų120154.5 Ų154.584%0.83981%0.811SS**  trans-71.3129.9163.5-57.20000109.8
187A32.6Very low40.4Very low91 Ų91157.5 Ų157.575%0.75281%0.814SS**  169.4138.4120.800000111.3
188P42.9Very low40Very low131 Ų131157.2 Ų157.285%0.85181%0.813SS**  trans-87.8140.7-17534.7-30.7000111.3
189R40Very low39.4Very low255 Ų255157.3 Ų157.396%0.96281%0.814SS**  trans-112.3109.7165.8-143.6177.7-169.9-172.52109.6
190E37Very low39.6Very low172 Ų172159 Ų15980%0.80482%0.818SS**  trans-74159.5172.5-155.1176.5-176.800110.6
191M30.7Very low39.4Very low171 Ų171159.3 Ų159.384%0.84282%0.819SS**  trans75.8107.5170.4-76.2177.4163.100117.8
192Q33Very low38.9Very low194 Ų194158.1 Ų158.191%0.90782%0.822SS**  -167.6128.287.2-94.5173.7-17.100111.8
193K43.6Very low39Very low214 Ų214157.9 Ų157.993%0.9383%0.826SS**  trans-70.1129.6159.8-90.2178.6167.1-177.10108.5
194A36.3Very low39.3Very low95 Ų95157.9 Ų157.979%0.78583%0.83SS**  trans-147.398153.700000105.2
195E39.3Very low39.2Very low163 Ų163157.3 Ų157.376%0.76283%0.831SS**  81.29799.5-159.7177.3155.100110.5
196E36.6Very low39.2Very low179 Ų179159.7 Ų159.784%0.83683%0.828SS**  trans-48.9125.3162.8-174.9175.5-158.900110.4
197K44.4Very low39.1Very low183 Ų183160.1 Ų160.180%0.79683%0.83SS**  trans-128.1110.6158.7-70.7-159.4176.4-170.90109.3
198E36.7Very low39.5Very low165 Ų165159.8 Ų159.877%0.77183%0.827SS**  trans-64.9138.1164.6-105.1-170.6121.900111.8
199V38Very low39.6Very low118 Ų118161.1 Ų161.172%0.71583%0.825SS**  trans78149.2133.6176.20000117.4
200P46.5Very low39.5Very low113 Ų113154.1 Ų154.173%0.73481%0.811SS**  cis-124.9167.57.617.97.5000116.9
201E45Very low39.3Very low181 Ų181157.1 Ų157.185%0.84682%0.817SS**  trans-48.5139.2158.2-62.4174.2142.900112.7
202D33.7Very low39.6Very low160 Ų160154.3 Ų154.386%0.85681%0.814SS**  trans-178.8110.3138.8-100.1-20000110.2
203S46.3Very low39.7Very low122 Ų122151.9 Ų151.985%0.85381%0.807SS**  trans-179.985.8139.954.60000109.2
204L45.3Very low39.7Very low170 Ų170147.3 Ų147.389%0.8980%0.802SS**  trans-65.2126.6152.6-72.1165.9000107.9
205E38.9Very low39.8Very low185 Ų185151.4 Ų151.486%0.86481%0.805SS**  trans-135.4113.5150.8-16675.1-15600108
206E38.5Very low39.7Very low171 Ų171147 Ų14780%0.79980%0.803SS**  trans-78.5126.8173.9173.1-172.4-178.500108.5
207C36.7Very low40.3Very low129 Ų129144.1 Ų144.187%0.87280%0.803SS**  trans-157.5113.2149.5-110.90000112.2
208A40.4Very low40.1Very low84 Ų84145.4 Ų145.469%0.69480%0.804SS**  trans-57.1147.3179.800000114.9
209I44.3Very low40.1Very low159 Ų159144.2 Ų144.282%0.81580%0.803SS**  trans-134.8118.5131.1-56.9-176.2000108.9
210T37.8Very low40.3Very low109 Ų109141.9 Ų141.967%0.66979%0.792SS**  trans-61.2139.5171.549.20000112.9
211Y34.5Very low40Very low234 Ų234143.1 Ų143.192%0.91879%0.793SS**  trans-138.8111.5140.3-95.7-81.5000109.7
212S35Very low40.2Very low112 Ų112142 Ų14278%0.78379%0.788SS**  trans-83.5135.2176.6-91.80000112.1
213N36.5Very low40.7Very low143 Ų143140.1 Ų140.177%0.76578%0.784SS**  trans31129.4140.4-82.4-9000121.3
214S42.3Very low40.4Very low118 Ų118140.2 Ų140.283%0.82577%0.77SS**  -132.8115.3127.564.90000110.6
215H40.1Very low40.2Very low181 Ų181143.5 Ų143.584%0.83877%0.771SS**  trans-56.3130.5168.9-104.3-57.6000111.6
216G36.3Very low40.2Very low71 Ų71143.1 Ų143.173%0.73277%0.767SS**  trans-126.8113.6156.600000108.3
217S48.1Very low40.2Very low119 Ų119141 Ų14183%0.83277%0.766SS**  trans-61.4127.8175.9-176.40000110.6
218Y41.5Very low40.5Very low209 Ų209143.7 Ų143.782%0.8276%0.763SS**  trans-145.7108.5158.3-153.4-101.5000111.3
219D37.2Very low40.6Very low141 Ų141147.2 Ų147.275%0.75477%0.768SS**  trans-86114.9162.9173.424.9000108.4
220S41.6Very low40.2Very low68 Ų68145 Ų14548%0.47676%0.762SS.*  trans176.7116.3147.8-102.50000113.1
221N40Very low40.2Very low139 Ų139148.4 Ų148.474%0.74377%0.768SS**  trans61.7105133.5-58.6-54000119.5
222Q49Very low40.6Very low159 Ų159145.3 Ų145.374%0.74376%0.762SS**  trans-45.7151152.7-78.8-170.5-21.700112.6H224Q222-H224 PolarHBondContact NE2-CE1 2.93Å; Q222-H224 PolarHBondContact OE1-CE1 3.47Å; Q222-H224 PolarHBondContact OE1-ND1 3.31Å
223P43.4Very low41.2Very low120 Ų120147.9 Ų147.978%0.77976%0.762SS**  -129.7131.7121.828.6-14.9000112.1R225P223-R225 PolarHBondContact O-N 3.49Å
224H41.9Very low41.3Very low123 Ų123147.4 Ų147.457%0.56976%0.759SS**  trans-56.9123164.5-71.50.5000111Q222Q222-H224 PolarHBondContact NE2-CE1 2.93Å; Q222-H224 PolarHBondContact OE1-CE1 3.47Å; Q222-H224 PolarHBondContact OE1-ND1 3.31Å
225R39.2Very low41.4Very low239 Ų239150.5 Ų150.590%0.90276%0.758SS**  trans-120.588.4152.4-80.7-169.2162.5178-3.8109.1P223P223-R225 PolarHBondContact O-N 3.49Å
226K39.3Very low41.5Very low177 Ų177147.2 Ų147.277%0.7775%0.75SS**  trans-77.5108.8160.1-70.7175.4178.7174.50106.9
227T38.8Very low41.7Very low127 Ų127150.2 Ų150.278%0.77975%0.749SS**  trans-101.288.9157.4-49.50000106.3
228K42.2Very low41.4Very low186 Ų186150.3 Ų150.381%0.80975%0.75SS**  trans-98.2106.6170.5-142.5178.4-171.8-172.20105.4T230K228-T230 PolarHBondContact O-N 2.9Å
229I43.7Very low41.3Very low157 Ų157146.5 Ų146.581%0.80575%0.749SS**  trans-71.4109.1172.7-63.2164.8000105.9
230T36.2Very low41.5Very low113 Ų113148 Ų14869%0.69376%0.756SS**  trans-85.5114.5170.345.50000108.2K228K228-T230 PolarHBondContact O-N 2.9Å
231F38.3Very low41.6Very low180 Ų180152.7 Ų152.779%0.78977%0.774SS**  trans-88106160.4-156.6-98.1000106.3E233F231-E233 HydrophobicContact CD1-CB 4.46Å; F231-E233 PolarHBondContact O-N 3.36Å
232E42.9Very low41.3Very low170 Ų170149.2 Ų149.279%0.79477%0.771SS**  trans-82.8104.9172.1-156.776.1179.900106.1
233E46.6Very low40.7Very low166 Ų166147.4 Ų147.478%0.77678%0.776SS**  trans-90.1122.7172.4-155.8172.6159.200108.9F231 K235F231-E233 HydrophobicContact CD1-CB 4.46Å; F231-E233 PolarHBondContact O-N 3.36Å; E233-K235 PolarHBondContact O-N 2.98Å
234D38.1Very low41Very low133 Ų133147.4 Ų147.471%0.71178%0.778SS**  trans-54.7123.2-175.4-173.719.6000112.1V236D234-V236 PolarHBondContact O-N 3.41Å
235K44.7Very low40.9Very low183 Ų183146.9 Ų146.980%0.79679%0.789SS**  trans-93.986.8176.4-160.2-177.6-179.5-158.30107.4E233 D237E233-K235 PolarHBondContact O-N 2.98Å; K235-D237 PolarHBondContact O-N 3.27Å; K235-D237 VanDerWaalsContact O-N 3.16Å
236V41.9Very low41.2Very low112 Ų112142.5 Ų142.568%0.67978%0.778SS**  trans-73.8103.1171.3-79.50000110.3D234D234-V236 PolarHBondContact O-N 3.41Å
237D40.7Very low41.4Very low134 Ų134139.6 Ų139.672%0.71778%0.775SS**  trans-61.4128.7156.5-81.8-35000108.8K235K235-D237 PolarHBondContact O-N 3.27Å; K235-D237 VanDerWaalsContact O-N 3.16Å
238S41.9Very low41.5Very low120 Ų120139.4 Ų139.484%0.83977%0.765SS**  trans-13782164.4-77.70000109.1
239T40.5Very low41.5Very low130 Ų130141.9 Ų141.980%0.79877%0.77SS**  trans-93102.1163.5-290000107.2
240L41.7Very low41.3Very low172 Ų172142.2 Ų142.290%0.90177%0.768SS**  trans-149.7131.1158.7-156.480.9000111.4
241I42.2Very low41.8Very low167 Ų167144.3 Ų144.386%0.85677%0.774SS**  trans-64.2146.1-177.5-66.9152.4000112.2
242G34Very low41.8Very low66 Ų66138.9 Ų138.968%0.6876%0.763SS**  trans171.188.6161.800000116.8
243S37.5Very low41.9Very low121 Ų121137.2 Ų137.285%0.84676%0.764SS**  trans66.6110.5143.6-58.90000122.4
244S48.1Very low42Very low119 Ų119137.7 Ų137.783%0.83277%0.766SS**  33.7115.2120.5-165.30000119.8
245S41.3Very low42.2Very low113 Ų113137.6 Ų137.679%0.7976%0.764SS**  -161118.2121.749.40000110.8
246H44.8Very low42.5Very low147 Ų147135.8 Ų135.868%0.68176%0.762SS**  trans-74.1116.1167.7176-100.2000107.8E248H246-E248 IonicContact CE1-OE2 2.76Å; H246-E248 IonicContact ND1-OE2 3.49Å
247V42.8Very low43Very low115 Ų115134.7 Ų134.770%0.69776%0.757SS**  trans-100.596.9165.9144.90000107.6
248E41.5Very low43.1Very low124 Ų124137 Ų13758%0.57976%0.763SS**  trans-68.6121.6167.4-149.4164.2-168.700107.7H246 E250H246-E248 IonicContact CE1-OE2 2.76Å; H246-E248 IonicContact ND1-OE2 3.49Å; E248-E250 VanDerWaalsContact C-N 3.28Å; E248-E250 HydrophobicContact CG-CG 4.18Å; E248-E250 PolarHBondContact O-N 2.97Å
249W41.8Very low43Very low238 Ų238138.3 Ų138.390%0.90276%0.761SS**  trans-86.977.5167.7-82.168.5000108.2
250E41Very low43.3Very low163 Ų163141.6 Ų141.676%0.76277%0.767SS**  trans-92106.4155.2-69.7-172.6155.600107.3E248E248-E250 VanDerWaalsContact C-N 3.28Å; E248-E250 HydrophobicContact CG-CG 4.18Å; E248-E250 PolarHBondContact O-N 2.97Å
251D45.9Very low43.6Very low157 Ų157138.9 Ų138.984%0.8476%0.763SS**  trans-127.1126.1157.9-168.323.2000109.3
252A39Very low43.8Very low67 Ų67138 Ų13855%0.55476%0.76SS**  trans-76.6137.8-163.900000112.1
253V44.2Very low44.1Very low134 Ų134141.5 Ų141.581%0.81276%0.763SS**  trans-128.587.1138.4-172.30000107.8I255V253-I255 HydrophobicContact CG1-CG1 4.26Å; V253-I255 PolarHBondContact O-N 3.46Å
254H49.2Very low44.5Very low177 Ų177144 Ų14482%0.81976%0.761SS**  trans-59.9107.4158.5-84.5-65000109.3
255I41.6Very low44.4Very low130 Ų130146.5 Ų146.567%0.66776%0.76SS**  trans-142.986.8145.8-51.7-178000108.4V253V253-I255 HydrophobicContact CG1-CG1 4.26Å; V253-I255 PolarHBondContact O-N 3.46Å
256I51.2Low44.5Very low145 Ų145150.1 Ų150.174%0.74476%0.764SS**  trans-93.1144.3148.8-65.1-174.9000106.3E258I256-E258 HydrophobicContact CG2-CG 4.44Å
257P52.2Low44.5Very low90 Ų90150.7 Ų150.758%0.58477%0.767SS**  -118.7139.5122.833.8-30000110.8
258E42.9Very low44.4Very low181 Ų181154.6 Ų154.685%0.84678%0.778SS**  trans-55.4133.8173.1-67.2164.3138.900110.1I256I256-E258 HydrophobicContact CG2-CG 4.44Å
259N39.3Very low44.3Very low148 Ų148157.4 Ų157.479%0.79179%0.788SS**  trans-126.7105.5156.7-72.437.2000106.8S261N259-S261 PolarHBondContact O-N 2.93Å
260E47.9Very low43.9Very low199 Ų199149.7 Ų149.793%0.9378%0.782SS**  trans-48.1129.8155.9-94.1170.6150.800109.4
261S47Very low44.2Very low115 Ų115147.8 Ų147.880%0.80478%0.784SS**  trans-127.497.6157.860.20000107.4N259N259-S261 PolarHBondContact O-N 2.93Å
262D45.8Very low43.7Very low149 Ų149146.8 Ų146.880%0.79778%0.783SS**  trans-59.8131.4151.3-101.9-18.9000108.5
263D42Very low43.6Very low139 Ų139148.5 Ų148.574%0.74379%0.791SS**  157.5107.6122.9-84.9-26.1000111.4
264E44.9Very low43.8Very low175 Ų175148.2 Ų148.282%0.81879%0.792SS**  trans63.5124.2135.1-55.5-66.6179.600121.9
265E45.2Very low43.3Very low170 Ų170150.4 Ų150.479%0.79479%0.793SS**  trans-72.9139.8166.1-59.3-169.5160.400111.2
266E45.1Very low43Very low189 Ų189150.4 Ų150.488%0.88380%0.799SS**  trans-136.4111.6151.8-83-72.9171.200108
267E43.8Very low42.1Very low159 Ų159148.3 Ų148.374%0.74380%0.797SS**  trans-72.1133.6166.6-76-158.9146.100110.2
268E41Very low41.3Very low198 Ų198151.1 Ų151.193%0.92581%0.813SS**  trans-139.1134.5149.3-162.1179.3171.700111.8
269K38.9Very low40.8Very low183 Ų183146.2 Ų146.280%0.79681%0.811SS**  trans-88.7128.1-169.8-69-138.9-179.1-166.30114.5
270G34.2Very low40.7Very low75 Ų75144.7 Ų144.777%0.77381%0.812SS**  trans74.8174.5135.900000119.6
271P46.5Very low40.3Very low124 Ų124140.3 Ų140.381%0.80580%0.803SS**  cis-128.3154.2-8.238-20.7000116.6
272V35.9Very low40Very low136 Ų136142.8 Ų142.882%0.82480%0.802SS**  trans22.8114.7139.5-170.70000122.1
273S36.7Very low39.7Very low103 Ų103145.2 Ų145.272%0.7281%0.806SS**  trans35149.6130.1-107.70000122.8
274P48.4Very low39.4Very low127 Ų127142.2 Ų142.283%0.82581%0.807SS**  -151.1160.165.738.8-17.5000120.1
275R38.5Very low39Very low224 Ų224137.4 Ų137.485%0.84580%0.804SS**  trans-21148.2158.2-64.5170.4156.4-179.4-6.9119.9
276T35.3Very low39.3Very low129 Ų129135.6 Ų135.679%0.79181%0.807SS**  -170.9124.2118.341.30000110.5
277S33.6Very low39.3Very low101 Ų101138.6 Ų138.671%0.70681%0.811SS**  73.7102.798.3-41.30000114.3
278V35.1Very low38.9Very low149 Ų149134.1 Ų134.190%0.90381%0.807SS**  66.3119.2102174.60000114.6
279G31.9Very low39.1Very low78 Ų78132.8 Ų132.880%0.80481%0.807SS**  trans-178.296.516800000113
280S38Very low39.3Very low116 Ų116134.9 Ų134.981%0.81181%0.809SS**  trans-75.2174.1-176.4-48.10000115.2
281S37.8Very low40.1Very low108 Ų108137 Ų13776%0.75581%0.813SS**  trans10094.3145.6-160.10000118.5
282E40.9Very low40.1Very low166 Ų166139.5 Ų139.578%0.77681%0.814SS**  30.8118.5108.6-155.3-178.7145.400118.4
283K39.8Very low40.8Very low201 Ų201137.2 Ų137.287%0.87481%0.809SS**  170.3133.5128.9-90.8-102.8178.4175.70112.2
284G36Very low41.6Very low75 Ų75141 Ų14177%0.77382%0.815SS**  trans122.578.4137.600000118.7
285G36.8Very low41.5Very low74 Ų74144.2 Ų144.276%0.76382%0.819SS**  61.6146.5119.300000122.3
286P50.5Low41.8Very low132 Ų132137.1 Ų137.186%0.85782%0.815SS**  trans-94.2151.3-158.637.7-32.4000113.4
287R45.3Very low42.3Very low253 Ų253136 Ų13696%0.95582%0.82SS**  trans-116.7109.5160.4-101.8-176.5167.6-153.2-1.8108.9
288G35.9Very low43.2Very low65 Ų65136.3 Ų136.367%0.6783%0.828SS**  trans-66.9155.5170.600000111.3
289N44.3Very low44Very low170 Ų170136.7 Ų136.791%0.90986%0.862SS**  trans-136.8123.6151.9-88.4-22.6000108.9
290R43.2Very low44.6Very low226 Ų226139.6 Ų139.685%0.85387%0.865SS**  trans-81.1124.7173.5-178.4-169.8-148.5-165.36.4107.5
291S50.9Low44.9Very low121 Ų121140.8 Ų140.885%0.84687%0.868SS**  trans-140.8113.1158.5-690000109.9
292Q47.4Very low45.3Very low176 Ų176142.7 Ų142.782%0.82287%0.874SS**  trans-68.5146.5164.1-65.1171.5-54.900109.8
293A51.2Low45.6Very low87 Ų87141.3 Ų141.372%0.71988%0.88SS**  trans-158.9118.8151.200000111.8
294Q51.7Low45.9Very low182 Ų182137.6 Ų137.685%0.8588%0.88SS**  trans52.6113.2143.7-76.6157.2-39.600119.3
295Q47.2Very low46.6Very low195 Ų195141.7 Ų141.791%0.91189%0.887SS**  46.2110.771-71.3-168.215.800115.8
296G44.1Very low47.3Very low75 Ų75146.6 Ų146.677%0.77390%0.896SS**  118.5138.6112.700000119
297A47.6Very low47Very low107 Ų107147.7 Ų147.788%0.88490%0.899SS**  trans77.4147160.300000117.5
298A51.1Low47.2Very low107 Ų107138.9 Ų138.988%0.88489%0.894SS**  cis-173.6147.8-16.800000104.7
299G51.7Low48.2Very low156 Ų156145.6 Ų145.6100%1.60892%0.915SS**  trans169.70175.100000110.7

Retrieved 299 of 299 residues in 196.7 ms (Link to these results)