A0A061I730_CRIGR Loading...

Ciliary neurotrophic factor

CNTF is a survival factor for various neuronal cell types. Seems to prevent the degeneration of motor axons after axotomy.

AlphaFold DB , UniProt , Accession A0A061I730, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cntf, Length 200 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
1M36.6Very low64Low238 Ų238118 Ų118100%1.17266%0.656SS**  01040-68.7-175.417700106.8
2A42.8Very low65.8Low103 Ų103116 Ų11685%0.85164%0.638SS**  trans-91.6112.8177.900000107.6A4A2-A4 PolarHBondContact O-N 3.25Å
3F51.3Low67.7Low192 Ų192108.7 Ų108.784%0.84260%0.595SS**  trans-63.1118.6162.2-74.4-90.1000105.8E5F3-E5 VanDerWaalsContact C-N 3.35Å; F3-E5 PolarHBondContact O-N 3.36Å
4A57.1Low69.3Low80 Ų80105.7 Ų105.766%0.66157%0.57SS**  trans-58.2105.3167.900000106.7A2 Q6A2-A4 PolarHBondContact O-N 3.25Å; A4-Q6 PolarHBondContact O-N 2.89Å
5E58Low70.9Confident189 Ų189103.9 Ų103.988%0.88356%0.56SS**  trans-59113.1177-70.7-177163.100107.4F3 S7F3-E5 VanDerWaalsContact C-N 3.35Å; F3-E5 PolarHBondContact O-N 3.36Å; E5-S7 PolarHBondContact O-N 3.04Å
6Q62.7Low72.4Confident95 Ų9597.5 Ų97.544%0.44453%0.526SS..  trans-66.5127.6179.1-67.4178.77.500108.1A4 L11A4-Q6 PolarHBondContact O-N 2.89Å; Q6-L11 HydrophobicContact CB-CD1 4.49Å; Q6-L11 HydrophobicContact CB-CD2 4.29Å; Q6-L11 HydrophobicContact CB-CG 4.1Å
7S75.9Confident73.8Confident56 Ų5691.8 Ų91.839%0.39250%0.495SS..  trans-61.5146.9-179.474.80000110.3E5 L9 T10 L11E5-S7 PolarHBondContact O-N 3.04Å; S7-L9 PolarHBondContact O-N 2.68Å; S7-T10 PolarHBondContact N-OG1 2.98Å; S7-T10 PolarHBondContact O-N 3.21Å; S7-T10 PolarHBondContact O-OG1 3.42Å; S7-T10 VanDerWaalsContact OG-CG2 3.22Å; S7-T10 WeakPolarHBondContact OG-CG2 3.37Å; S7-T10 PolarHBondContact OG-N 3.07Å; S7-L11 PolarHBondContact O-N 2.91Å
8P78.5Confident75Confident109 Ų10990.1 Ų90.171%0.70849%0.491SS*.Hα-helixtrans-52.4-34.4179.6-28.435000113.5L11 H12P8-L11 PolarHBondContact O-N 3.49Å; P8-H12 WeakPolarHBondContact O-CB 3.41Å; P8-H12 PolarHBondContact O-N 3.2Å
9L79.9Confident76.2Confident116 Ų11692.1 Ų92.161%0.60749%0.491SS*.Hα-helixtrans-65.6-39.1176.3-65.7172.7000112.7S7 H12 R13 L129S7-L9 PolarHBondContact O-N 2.68Å; L9-H12 PolarHBondContact O-N 3.34Å; L9-R13 WeakPolarHBondContact O-CB 3.44Å; L9-R13 PolarHBondContact O-N 2.97Å; L9-L129 HydrophobicContact CD2-CD1 3.87Å
10T78.1Confident77.3Confident31 Ų3187.5 Ų87.519%0.1947%0.466CS..Hα-helixtrans-69.3-36.7177.562.40000112.3S7 R14S7-T10 PolarHBondContact N-OG1 2.98Å; S7-T10 PolarHBondContact O-N 3.21Å; S7-T10 PolarHBondContact O-OG1 3.42Å; S7-T10 VanDerWaalsContact OG-CG2 3.22Å; S7-T10 WeakPolarHBondContact OG-CG2 3.37Å; S7-T10 PolarHBondContact OG-N 3.07Å; T10-R14 PolarHBondContact O-N 3.45Å
11L82.7Confident78.3Confident89 Ų8984 Ų8447%0.46645%0.447SS..Hα-helixtrans-66-44.8174-72.6170.2000111Q6 S7 P8 R14 D15Q6-L11 HydrophobicContact CB-CD1 4.49Å; Q6-L11 HydrophobicContact CB-CD2 4.29Å; Q6-L11 HydrophobicContact CB-CG 4.1Å; S7-L11 PolarHBondContact O-N 2.91Å; P8-L11 PolarHBondContact O-N 3.49Å; L11-R14 PolarHBondContact O-N 3.44Å; L11-D15 PolarHBondContact O-N 3.43Å
12H86.6Confident81.3Confident94 Ų9480.6 Ų80.644%0.43542%0.422SS..Hα-helixtrans-64-42.7179.4-171.741.6000112.4P8 L9 R14 D15 L16 L129P8-H12 WeakPolarHBondContact O-CB 3.41Å; P8-H12 PolarHBondContact O-N 3.2Å; L9-H12 PolarHBondContact O-N 3.34Å; H12-R14 PolarHBondContact O-N 2.96Å; H12-D15 PolarHBondContact O-N 2.76Å; H12-L16 WeakPolarHBondContact O-CB 3.22Å; H12-L16 PolarHBondContact O-N 3.06Å; H12-L129 HydrophobicContact CB-CD2 4.38Å
13R89.7Confident84Confident21 Ų2176.3 Ų76.38%0.07938%0.384CS..Hα-helixtrans-59.9-45.3175.7-176.6178.5163.4167.1-6.1111.6L9 L16 C17 E69 L126 L129 I179L9-R13 WeakPolarHBondContact O-CB 3.44Å; L9-R13 PolarHBondContact O-N 2.97Å; R13-L16 PolarHBondContact O-N 2.99Å; R13-C17 PolarHBondContact O-N 2.95Å; R13-C17 PolarHBondContact O-SG 3.24Å; R13-C17 VanDerWaalsContact O-SG 3.34Å; R13-E69 IonicContact CZ-OE2 3.58Å; R13-E69 IonicContact NH1-OE2 3.5Å; R13-E69 PolarHBondContact NH1-OE2 3.34Å; R13-E69 IonicContact NH2-OE1 2.76Å; R13-E69 PolarHBondContact NH2-OE1 3.12Å; R13-E69 IonicContact NH2-OE2 2.76Å; R13-E69 PolarHBondContact NH2-OE2 3.17Å; R13-L126 HydrophobicContact CG-CD1 3.86Å; R13-L129 VanDerWaalsContact CA-CD2 3.45Å; R13-L129 HydrophobicContact CB-CD2 3.69Å; R13-L129 HydrophobicContact CG-CD2 4.37Å; R13-I179 PolarHBondContact NE-O 3.47Å; R13-I179 VanDerWaalsContact NH2-CG2 3.35Å; R13-I179 PolarHBondContact NH2-O 2.92Å
14R89.7Confident86.2Confident67 Ų6767.1 Ų67.125%0.25334%0.344SS..Hα-helixtrans-65.6-41.2179.1-170.9-176.9-61.1119.10.2112.3T10 L11 H12 S18T10-R14 PolarHBondContact O-N 3.45Å; L11-R14 PolarHBondContact O-N 3.44Å; H12-R14 PolarHBondContact O-N 2.96Å; R14-S18 WeakPolarHBondContact O-CB 3.42Å; R14-S18 PolarHBondContact O-N 2.88Å; R14-S18 PolarHBondContact O-OG 2.96Å
15D93.4Very high88.2Confident78 Ų7869.1 Ų69.142%0.41733%0.334SS..Hα-helixtrans-59.6-49.7175.4179.967.3000110.7L11 H12 C17 S18 R19L11-D15 PolarHBondContact O-N 3.43Å; H12-D15 PolarHBondContact O-N 2.76Å; D15-C17 PolarHBondContact O-N 3.44Å; D15-S18 WeakPolarHBondContact O-CB 3.36Å; D15-S18 PolarHBondContact O-N 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.42Å; D15-R19 PolarHBondContact O-N 2.96Å; D15-R19 WeakPolarHBondContact OD2-CD 3.48Å
16L94.7Very high90.1Very high2 Ų263.6 Ų63.61%0.0131%0.308CS..Hα-helixtrans-61.4-46.6179.6-168.958.1000111.6H12 R13 S18 R19 S20 Q122 E125 L126H12-L16 WeakPolarHBondContact O-CB 3.22Å; H12-L16 PolarHBondContact O-N 3.06Å; R13-L16 PolarHBondContact O-N 2.99Å; L16-S18 VanDerWaalsContact C-N 3.28Å; L16-S18 PolarHBondContact O-N 3.06Å; L16-R19 PolarHBondContact O-N 2.88Å; L16-S20 WeakPolarHBondContact O-CB 3.49Å; L16-S20 PolarHBondContact O-N 3.04Å; L16-S20 PolarHBondContact O-OG 3.11Å; L16-Q122 HydrophobicContact CD1-CB 4.3Å; L16-Q122 HydrophobicContact CD1-CG 4.34Å; L16-E125 HydrophobicContact CD2-CB 3.76Å; L16-L126 HydrophobicContact CD2-CB 3.67Å; L16-L126 HydrophobicContact CD2-CD1 4.18Å; L16-L126 HydrophobicContact CD2-CG 4.5Å; L16-L126 HydrophobicContact CG-CB 4.32Å
17C96.4Very high91.8Very high0 Ų059.1 Ų59.10%029%0.287CS..Hα-helixtrans-57-40.8173-70.10000112.3R13 D15 S20 I21R13-C17 PolarHBondContact O-N 2.95Å; R13-C17 PolarHBondContact O-SG 3.24Å; R13-C17 VanDerWaalsContact O-SG 3.34Å; D15-C17 PolarHBondContact O-N 3.44Å; C17-S20 PolarHBondContact O-N 2.97Å; C17-I21 WeakPolarHBondContact O-CB 3.33Å; C17-I21 WeakPolarHBondContact O-CD1 3.28Å; C17-I21 WeakPolarHBondContact O-CG1 3.38Å; C17-I21 PolarHBondContact O-N 3.34Å
18S96.5Very high92.9Very high61 Ų6162 Ų6243%0.42729%0.289SS..Hα-helixtrans-66.6-42.2179.9-59.80000111.8R14 D15 L16 I21 W22R14-S18 WeakPolarHBondContact O-CB 3.42Å; R14-S18 PolarHBondContact O-N 2.88Å; R14-S18 PolarHBondContact O-OG 2.96Å; D15-S18 WeakPolarHBondContact O-CB 3.36Å; D15-S18 PolarHBondContact O-N 3.3Å; L16-S18 VanDerWaalsContact C-N 3.28Å; L16-S18 PolarHBondContact O-N 3.06Å; S18-I21 PolarHBondContact O-N 2.94Å; S18-W22 WeakPolarHBondContact O-CB 3.47Å; S18-W22 PolarHBondContact O-N 3.46Å
19R97.6Very high93.8Very high129 Ų12960.4 Ų60.449%0.48728%0.28SS..Hα-helixtrans-64.9-43.9175.3-70.8178.263.7-165.8-4.8111.7D15 L16 W22 L23D15-R19 WeakPolarHBondContact O-CG 3.42Å; D15-R19 PolarHBondContact O-N 2.96Å; D15-R19 WeakPolarHBondContact OD2-CD 3.48Å; L16-R19 PolarHBondContact O-N 2.88Å; R19-W22 WeakPolarHBondContact O-CB 3.44Å; R19-W22 PolarHBondContact O-N 3.44Å; R19-L23 PolarHBondContact O-N 3.21Å
20S98.3Very high94.7Very high0 Ų056.9 Ų56.90%026%0.262CS..Hα-helixtrans-62.2-45.3174.9-54.80000111.3L16 C17 W22 L23 A24 F119 Q122L16-S20 WeakPolarHBondContact O-CB 3.49Å; L16-S20 PolarHBondContact O-N 3.04Å; L16-S20 PolarHBondContact O-OG 3.11Å; C17-S20 PolarHBondContact O-N 2.97Å; S20-W22 VanDerWaalsContact C-N 3.29Å; S20-W22 PolarHBondContact O-N 2.76Å; S20-L23 PolarHBondContact O-N 3.11Å; S20-L23 VanDerWaalsContact O-N 3.16Å; S20-A24 PolarHBondContact O-N 3.41Å; S20-F119 VanDerWaalsContact O-CE2 3.27Å; S20-F119 WeakPolarHBondContact O-CE2 3.23Å; S20-Q122 WeakPolarHBondContact OG-CB 3.34Å; S20-Q122 PolarHBondContact OG-OE1 3.33Å
21I98.6Very high95.7Very high14 Ų1455.4 Ų55.47%0.07225%0.253CS..Hα-helixtrans-59-42.5175.5-74165.8000111.1C17 S18 R25 I173 L176 R177C17-I21 WeakPolarHBondContact O-CB 3.33Å; C17-I21 WeakPolarHBondContact O-CD1 3.28Å; C17-I21 WeakPolarHBondContact O-CG1 3.38Å; C17-I21 PolarHBondContact O-N 3.34Å; S18-I21 PolarHBondContact O-N 2.94Å; I21-R25 WeakPolarHBondContact O-CG 3.49Å; I21-R25 PolarHBondContact O-N 2.76Å; I21-R25 VanDerWaalsContact O-N 3.09Å; I21-I173 HydrophobicContact CG2-CG2 4.37Å; I21-L176 HydrophobicContact CD1-CB 3.89Å; I21-L176 HydrophobicContact CG1-CB 3.56Å; I21-L176 HydrophobicContact CG1-CD1 3.88Å; I21-L176 HydrophobicContact CG1-CG 4.39Å; I21-R177 HydrophobicContact CD1-CG 4.03Å
22W98.6Very high96.3Very high166 Ų16654.7 Ų54.763%0.62925%0.253SS*.Hα-helixtrans-61.3-46176.5178.391.6000111.3S18 R19 S20 R25 K26S18-W22 WeakPolarHBondContact O-CB 3.47Å; S18-W22 PolarHBondContact O-N 3.46Å; R19-W22 WeakPolarHBondContact O-CB 3.44Å; R19-W22 PolarHBondContact O-N 3.44Å; S20-W22 VanDerWaalsContact C-N 3.29Å; S20-W22 PolarHBondContact O-N 2.76Å; W22-R25 WeakPolarHBondContact O-CB 3.44Å; W22-R25 PolarHBondContact O-N 3.5Å; W22-K26 HydrophobicContact CH2-CG 4.43Å; W22-K26 PolarHBondContact O-N 3.46Å
23L98.8Very high96.8Very high13 Ų1353.2 Ų53.27%0.06826%0.257CS..Hα-helixtrans-64.5-42.2179.2-177.756.2000111.9R19 S20 R25 K26 I27 Q115 A118 F119R19-L23 PolarHBondContact O-N 3.21Å; S20-L23 PolarHBondContact O-N 3.11Å; S20-L23 VanDerWaalsContact O-N 3.16Å; L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.31Å; L23-K26 WeakPolarHBondContact O-CB 3.45Å; L23-K26 PolarHBondContact O-N 3.44Å; L23-K26 VanDerWaalsContact O-N 3.08Å; L23-I27 HydrophobicContact CD1-CD1 4.5Å; L23-I27 HydrophobicContact CD1-CG1 4.41Å; L23-I27 HydrophobicContact CG-CD1 4.17Å; L23-I27 WeakPolarHBondContact O-CG1 3.45Å; L23-I27 PolarHBondContact O-N 2.94Å; L23-Q115 HydrophobicContact CD1-CB 4.13Å; L23-Q115 HydrophobicContact CD1-CG 4.22Å; L23-A118 HydrophobicContact CD2-CB 3.98Å; L23-F119 HydrophobicContact CB-CD2 4.25Å; L23-F119 HydrophobicContact CD2-CB 3.77Å; L23-F119 HydrophobicContact CD2-CD2 4.17Å; L23-F119 HydrophobicContact CD2-CG 4.5Å; L23-F119 HydrophobicContact CG-CB 4.29Å; L23-F119 HydrophobicContact CG-CD2 4.21Å
24A98.7Very high97.2Very high0 Ų052.7 Ų52.70%026%0.255CS..Hα-helixtrans-59-39.6174.200000112.2S20 R28 F119 I173S20-A24 PolarHBondContact O-N 3.41Å; A24-R28 PolarHBondContact O-N 2.85Å; A24-F119 HydrophobicContact CB-CE2 3.89Å; A24-F119 HydrophobicContact CB-CZ 4.32Å; A24-I173 HydrophobicContact CB-CD1 4.19Å; A24-I173 HydrophobicContact CB-CG1 3.76Å
25R98.6Very high97.5Very high121 Ų12151.4 Ų51.446%0.45725%0.253SS..Hα-helixtrans-66.6-39173.9-71.3174.9-176.7145.85.2112.3I21 W22 L23 R28 S29 I173 R177I21-R25 WeakPolarHBondContact O-CG 3.49Å; I21-R25 PolarHBondContact O-N 2.76Å; I21-R25 VanDerWaalsContact O-N 3.09Å; W22-R25 WeakPolarHBondContact O-CB 3.44Å; W22-R25 PolarHBondContact O-N 3.5Å; L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.31Å; R25-R28 PolarHBondContact O-N 2.93Å; R25-S29 PolarHBondContact O-N 3.16Å; R25-I173 HydrophobicContact CG-CD1 3.63Å; R25-I173 HydrophobicContact CG-CG1 4.47Å; R25-R177 VanDerWaalsContact NH2-NH2 3.19Å
26K98.5Very high97.7Very high74 Ų7453.6 Ų53.632%0.32226%0.26SS..Hα-helixtrans-64-46.9176.7177.152172.8147.60111.2W22 L23 R28 S29 D30W22-K26 HydrophobicContact CH2-CG 4.43Å; W22-K26 PolarHBondContact O-N 3.46Å; L23-K26 WeakPolarHBondContact O-CB 3.45Å; L23-K26 PolarHBondContact O-N 3.44Å; L23-K26 VanDerWaalsContact O-N 3.08Å; K26-R28 VanDerWaalsContact C-N 3.31Å; K26-R28 PolarHBondContact O-N 3.14Å; K26-S29 WeakPolarHBondContact O-CB 3.45Å; K26-S29 PolarHBondContact O-N 3.08Å; K26-S29 VanDerWaalsContact O-N 3.15Å; K26-D30 WeakPolarHBondContact CE-OD2 3.42Å; K26-D30 IonicContact NZ-OD1 2.63Å; K26-D30 PolarHBondContact NZ-OD1 2.98Å; K26-D30 IonicContact NZ-OD2 2.8Å; K26-D30 PolarHBondContact NZ-OD2 3.38Å; K26-D30 PolarHBondContact O-N 2.98Å
27I98.6Very high97.8Very high0 Ų055.3 Ų55.30%027%0.273CS..Hα-helixtrans-53.1-49.5173-70.5168.8000110.3L23 S29 D30 L31 Y80 L112 Q115 F119 L165 T169L23-I27 HydrophobicContact CD1-CD1 4.5Å; L23-I27 HydrophobicContact CD1-CG1 4.41Å; L23-I27 HydrophobicContact CG-CD1 4.17Å; L23-I27 WeakPolarHBondContact O-CG1 3.45Å; L23-I27 PolarHBondContact O-N 2.94Å; I27-S29 VanDerWaalsContact C-N 3.34Å; I27-S29 PolarHBondContact O-N 3.13Å; I27-D30 PolarHBondContact O-N 2.93Å; I27-L31 HydrophobicContact CG2-CD1 3.74Å; I27-L31 HydrophobicContact CG2-CG 4.4Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 WeakPolarHBondContact O-CG 3.22Å; I27-L31 PolarHBondContact O-N 3.15Å; I27-Y80 HydrophobicContact CD1-CE1 4.19Å; I27-L112 HydrophobicContact CG2-CD1 3.81Å; I27-Q115 HydrophobicContact CD1-CB 4.1Å; I27-Q115 HydrophobicContact CG1-CB 3.65Å; I27-Q115 HydrophobicContact CG1-CG 4.48Å; I27-F119 HydrophobicContact CD1-CB 4.14Å; I27-F119 HydrophobicContact CD1-CG 4.47Å; I27-L165 HydrophobicContact CG2-CD2 4.46Å; I27-L165 HydrophobicContact CG2-CG 4.46Å; I27-T169 HydrophobicContact CB-CG2 4.03Å; I27-T169 HydrophobicContact CG2-CG2 3.55Å
28R98.1Very high97.8Very high116 Ų11655.4 Ų55.444%0.43827%0.273SS..Hα-helixtrans-60.9-41.3179.2-167.8178.2173.1-173.7-0.4113.1A24 R25 K26 T32 T169A24-R28 PolarHBondContact O-N 2.85Å; R25-R28 PolarHBondContact O-N 2.93Å; K26-R28 VanDerWaalsContact C-N 3.31Å; K26-R28 PolarHBondContact O-N 3.14Å; R28-T32 PolarHBondContact O-N 3.24Å; R28-T32 PolarHBondContact O-OG1 3.07Å; R28-T169 HydrophobicContact CB-CG2 4.24Å; R28-T169 WeakPolarHBondContact CB-OG1 3.48Å; R28-T169 WeakPolarHBondContact CD-OG1 3.36Å
29S98.3Very high97.9Very high76 Ų7653.4 Ų53.453%0.53126%0.258SS..Hα-helixtrans-61.1-46.4176.2-173.10000111.1R25 K26 I27 T32R25-S29 PolarHBondContact O-N 3.16Å; K26-S29 WeakPolarHBondContact O-CB 3.45Å; K26-S29 PolarHBondContact O-N 3.08Å; K26-S29 VanDerWaalsContact O-N 3.15Å; I27-S29 VanDerWaalsContact C-N 3.34Å; I27-S29 PolarHBondContact O-N 3.13Å; S29-T32 WeakPolarHBondContact O-CB 3.41Å; S29-T32 PolarHBondContact O-N 3.09Å
30D98.3Very high97.8Very high42 Ų4255.4 Ų55.423%0.22527%0.271CS..Hα-helixtrans-69.9-36.9-177.7-69.1-10000111.8K26 I27 T32 A33 L34 Q115K26-D30 WeakPolarHBondContact CE-OD2 3.42Å; K26-D30 IonicContact NZ-OD1 2.63Å; K26-D30 PolarHBondContact NZ-OD1 2.98Å; K26-D30 IonicContact NZ-OD2 2.8Å; K26-D30 PolarHBondContact NZ-OD2 3.38Å; K26-D30 PolarHBondContact O-N 2.98Å; I27-D30 PolarHBondContact O-N 2.93Å; D30-T32 PolarHBondContact O-N 3.11Å; D30-A33 PolarHBondContact O-N 3.06Å; D30-L34 WeakPolarHBondContact O-CB 3.49Å; D30-L34 PolarHBondContact O-N 3.4Å; D30-Q115 PolarHBondContact OD2-NE2 3.5Å; D30-Q115 PolarHBondContact OD2-OE1 3.01Å
31L98.1Very high97.7Very high0 Ų058.1 Ų58.10%028%0.283CS..Hα-helixtrans-58.6-34.9173-81.7167.3000113.1I27 L34 M35 L112 L162 L165I27-L31 HydrophobicContact CG2-CD1 3.74Å; I27-L31 HydrophobicContact CG2-CG 4.4Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 WeakPolarHBondContact O-CG 3.22Å; I27-L31 PolarHBondContact O-N 3.15Å; L31-L34 PolarHBondContact O-N 2.8Å; L31-M35 HydrophobicContact CB-CE 4.36Å; L31-M35 VanDerWaalsContact O-CB 3.29Å; L31-M35 WeakPolarHBondContact O-CB 3.14Å; L31-M35 WeakPolarHBondContact O-CE 3.27Å; L31-M35 VanDerWaalsContact O-CG 3.25Å; L31-M35 WeakPolarHBondContact O-CG 3.45Å; L31-M35 PolarHBondContact O-N 2.63Å; L31-L112 HydrophobicContact CD2-CD1 4.29Å; L31-L112 HydrophobicContact CD2-CD2 3.56Å; L31-L112 HydrophobicContact CG-CD1 4.05Å; L31-L112 HydrophobicContact CG-CD2 4.23Å; L31-L162 HydrophobicContact CD2-CB 4.08Å; L31-L162 HydrophobicContact CD2-CD2 3.7Å; L31-L162 HydrophobicContact CD2-CG 4.49Å; L31-L165 HydrophobicContact CD1-CB 4.21Å; L31-L165 HydrophobicContact CD1-CD2 4.02Å; L31-L165 HydrophobicContact CD1-CG 3.81Å; L31-L165 HydrophobicContact CD2-CD2 4.28Å
32T96.9Very high97.6Very high74 Ų7457.8 Ų57.845%0.45428%0.281SS..Hα-helixtrans-60.7-51.7-179.7-56.40000110.6R28 S29 D30 E36R28-T32 PolarHBondContact O-N 3.24Å; R28-T32 PolarHBondContact O-OG1 3.07Å; S29-T32 WeakPolarHBondContact O-CB 3.41Å; S29-T32 PolarHBondContact O-N 3.09Å; D30-T32 PolarHBondContact O-N 3.11Å; T32-E36 PolarHBondContact O-N 3.16Å
33A96Very high97.4Very high63 Ų6353.2 Ų53.252%0.52129%0.285SS..Hα-helixtrans-67.5-40177.200000112D30 E36 S37D30-A33 PolarHBondContact O-N 3.06Å; A33-E36 PolarHBondContact O-N 3.14Å; A33-S37 PolarHBondContact O-N 3.21Å; A33-S37 VanDerWaalsContact O-N 3.08Å
34L97.9Very high97.2Very high10 Ų1053.5 Ų53.55%0.05229%0.287CS..Hα-helixtrans-66.1-40-178.7-177.961.6000112.5D30 L31 S37 Y38 F105 A108 I109 L112 L162D30-L34 WeakPolarHBondContact O-CB 3.49Å; D30-L34 PolarHBondContact O-N 3.4Å; L31-L34 PolarHBondContact O-N 2.8Å; L34-S37 PolarHBondContact O-N 3.35Å; L34-Y38 VanDerWaalsContact O-CB 3.3Å; L34-Y38 WeakPolarHBondContact O-CB 3.32Å; L34-Y38 PolarHBondContact O-N 2.88Å; L34-F105 HydrophobicContact CD1-CD2 3.85Å; L34-F105 HydrophobicContact CD1-CE2 3.57Å; L34-A108 HydrophobicContact CD1-CB 3.96Å; L34-I109 HydrophobicContact CD1-CG1 3.89Å; L34-I109 HydrophobicContact CD2-CG1 4.16Å; L34-L112 HydrophobicContact CD2-CB 4.46Å; L34-L112 HydrophobicContact CD2-CD2 3.64Å; L34-L162 HydrophobicContact CD2-CD2 3.95Å; L34-L162 HydrophobicContact CG-CD1 4.44Å
35M97.3Very high96.7Very high40 Ų4058.4 Ų58.420%0.19731%0.313CS..Hα-helixtrans-64.2-41.3177-77.2-173.9-65.100111.8L31 S37 Y38 V39 L162L31-M35 HydrophobicContact CB-CE 4.36Å; L31-M35 VanDerWaalsContact O-CB 3.29Å; L31-M35 WeakPolarHBondContact O-CB 3.14Å; L31-M35 WeakPolarHBondContact O-CE 3.27Å; L31-M35 VanDerWaalsContact O-CG 3.25Å; L31-M35 WeakPolarHBondContact O-CG 3.45Å; L31-M35 PolarHBondContact O-N 2.63Å; M35-S37 VanDerWaalsContact C-N 3.34Å; M35-S37 PolarHBondContact O-N 3.24Å; M35-Y38 PolarHBondContact O-N 3.48Å; M35-V39 WeakPolarHBondContact O-CG2 3.18Å; M35-V39 PolarHBondContact O-N 3.32Å; M35-L162 HydrophobicContact CG-CB 3.66Å; M35-L162 HydrophobicContact CG-CD1 4.21Å; M35-L162 HydrophobicContact SD-CB 4.18Å
36E96.3Very high95.8Very high124 Ų12460.5 Ų60.558%0.57933%0.326SS*.Hα-helixtrans-61.2-44.9174.8-70.7-175.2164.700111.5T32 A33 K40T32-E36 PolarHBondContact O-N 3.16Å; A33-E36 PolarHBondContact O-N 3.14Å; E36-K40 PolarHBondContact O-N 2.94Å; E36-K40 VanDerWaalsContact O-N 3.16Å
37S96.9Very high95.1Very high39 Ų3964 Ų6427%0.27335%0.348SS..Hα-helixtrans-61-45.3174.6-157.90000111.2A33 L34 M35 K40 H41A33-S37 PolarHBondContact O-N 3.21Å; A33-S37 VanDerWaalsContact O-N 3.08Å; L34-S37 PolarHBondContact O-N 3.35Å; M35-S37 VanDerWaalsContact C-N 3.34Å; M35-S37 PolarHBondContact O-N 3.24Å; S37-K40 WeakPolarHBondContact O-CB 3.49Å; S37-K40 PolarHBondContact O-N 2.9Å; S37-H41 PolarHBondContact O-CD2 3.35Å; S37-H41 PolarHBondContact O-N 2.82Å; S37-H41 PolarHBondContact OG-CD2 3.32Å; S37-H41 PolarHBondContact OG-NE2 2.89Å
38Y97.8Very high94.6Very high2 Ų266.5 Ų66.51%0.00836%0.361CS..Hα-helixtrans-59.2-51.4179.9-174-82.1000111.3L34 M35 K40 H41 Q42 L44 L90 F105 K155 G158 L159 L162L34-Y38 VanDerWaalsContact O-CB 3.3Å; L34-Y38 WeakPolarHBondContact O-CB 3.32Å; L34-Y38 PolarHBondContact O-N 2.88Å; M35-Y38 PolarHBondContact O-N 3.48Å; Y38-K40 PolarHBondContact O-N 3.11Å; Y38-H41 PolarHBondContact O-N 3.45Å; Y38-Q42 HydrophobicContact CD1-CG 3.77Å; Y38-Q42 HydrophobicContact CD2-CG 4.44Å; Y38-Q42 HydrophobicContact CE1-CB 4.27Å; Y38-Q42 HydrophobicContact CE1-CG 3.38Å; Y38-Q42 HydrophobicContact CE2-CG 4.1Å; Y38-Q42 HydrophobicContact CG-CG 4.26Å; Y38-Q42 WeakPolarHBondContact O-CB 3.46Å; Y38-Q42 VanDerWaalsContact O-CG 3.29Å; Y38-Q42 WeakPolarHBondContact O-CG 3.21Å; Y38-Q42 PolarHBondContact O-N 2.91Å; Y38-L44 HydrophobicContact CD1-CD1 4.47Å; Y38-L44 HydrophobicContact CE1-CD1 4.02Å; Y38-L90 HydrophobicContact CE2-CD1 4.27Å; Y38-L90 HydrophobicContact CE2-CD2 4.16Å; Y38-L90 HydrophobicContact CE2-CG 4.31Å; Y38-F105 AromaticContact CD2-CZ 3.81Å; Y38-F105 HydrophobicContact CD2-CZ 3.81Å; Y38-F105 HydrophobicContact CG-CZ 4.41Å; Y38-K155 WeakPolarHBondContact CE1-O 3.17Å; Y38-K155 WeakPolarHBondContact OH-CA 3.33Å; Y38-K155 PolarHBondContact OH-O 2.88Å; Y38-G158 VanDerWaalsContact OH-CA 3.3Å; Y38-G158 WeakPolarHBondContact OH-CA 3.44Å; Y38-L159 HydrophobicContact CD1-CB 4.07Å; Y38-L159 HydrophobicContact CD1-CD1 4.09Å; Y38-L159 HydrophobicContact CE1-CB 3.73Å; Y38-L162 HydrophobicContact CD2-CD1 3.8Å; Y38-L162 HydrophobicContact CG-CD1 3.84Å
39V96.9Very high94.1Very high18 Ų1865.7 Ų65.711%0.10937%0.365CS..Hα-helixtrans-56.4-42.2178.4170.20000111M35 G43 L44 K46 L159M35-V39 WeakPolarHBondContact O-CG2 3.18Å; M35-V39 PolarHBondContact O-N 3.32Å; V39-G43 PolarHBondContact O-N 3.21Å; V39-L44 HydrophobicContact CG1-CB 4.24Å; V39-L44 WeakPolarHBondContact CG1-O 3.23Å; V39-L44 PolarHBondContact O-N 3.06Å; V39-K46 HydrophobicContact CG1-CG 4.11Å; V39-L159 HydrophobicContact CG2-CD1 3.82Å; V39-L159 HydrophobicContact CG2-CD2 4.12Å
40K96.6Very high93.8Very high172 Ų17262.3 Ų62.375%0.74834%0.341SS*.Hα-helixtrans-64.1-51.2177.7-176.5-176.6175.9-170.40112.1E36 S37 Y38 Q42 G43E36-K40 PolarHBondContact O-N 2.94Å; E36-K40 VanDerWaalsContact O-N 3.16Å; S37-K40 WeakPolarHBondContact O-CB 3.49Å; S37-K40 PolarHBondContact O-N 2.9Å; Y38-K40 PolarHBondContact O-N 3.11Å; K40-Q42 VanDerWaalsContact C-N 3.31Å; K40-Q42 PolarHBondContact O-N 3.32Å; K40-G43 PolarHBondContact O-N 2.92Å
41H95.9Very high93.2Very high56 Ų5666.5 Ų66.526%0.25936%0.363SS..Hα-helixtrans-66-33.1-179.2-75.2-70.8000112.8S37 Y38 T99 E102 F105S37-H41 PolarHBondContact O-CD2 3.35Å; S37-H41 PolarHBondContact O-N 2.82Å; S37-H41 PolarHBondContact OG-CD2 3.32Å; S37-H41 PolarHBondContact OG-NE2 2.89Å; Y38-H41 PolarHBondContact O-N 3.45Å; H41-T99 HydrophobicContact CB-CG2 3.79Å; H41-E102 VanDerWaalsContact CE1-CD 3.45Å; H41-E102 IonicContact CE1-OE1 3.43Å; H41-E102 IonicContact CE1-OE2 3.95Å; H41-E102 PolarHBondContact CE1-OE2 3.22Å; H41-F105 AromaticContact CD2-CD2 3.93Å; H41-F105 AromaticContact CD2-CG 3.92Å
42Q95.6Very high92.6Very high7 Ų771.4 Ų71.43%0.03340%0.398CS..Hα-helixtrans-83.1-14.4179.7-61.4-32.9-57.500113.9Y38 K40 L44 Q94 K155Y38-Q42 HydrophobicContact CD1-CG 3.77Å; Y38-Q42 HydrophobicContact CD2-CG 4.44Å; Y38-Q42 HydrophobicContact CE1-CB 4.27Å; Y38-Q42 HydrophobicContact CE1-CG 3.38Å; Y38-Q42 HydrophobicContact CE2-CG 4.1Å; Y38-Q42 HydrophobicContact CG-CG 4.26Å; Y38-Q42 WeakPolarHBondContact O-CB 3.46Å; Y38-Q42 VanDerWaalsContact O-CG 3.29Å; Y38-Q42 WeakPolarHBondContact O-CG 3.21Å; Y38-Q42 PolarHBondContact O-N 2.91Å; K40-Q42 VanDerWaalsContact C-N 3.31Å; K40-Q42 PolarHBondContact O-N 3.32Å; Q42-L44 HydrophobicContact CB-CD1 3.86Å; Q42-L44 HydrophobicContact CB-CG 3.71Å; Q42-L44 HydrophobicContact CG-CD1 4.46Å; Q42-Q94 VanDerWaalsContact NE2-CD 3.31Å; Q42-Q94 VanDerWaalsContact NE2-NE2 3.14Å; Q42-K155 HydrophobicContact CB-CB 4.41Å; Q42-K155 HydrophobicContact CB-CD 4.12Å; Q42-K155 HydrophobicContact CB-CG 4.2Å; Q42-K155 HydrophobicContact CG-CB 4.44Å; Q42-K155 HydrophobicContact CG-CG 4.17Å; Q42-K155 PolarHBondContact O-NZ 3.49Å
43G94.8Very high92.1Very high70 Ų7069 Ų6972%0.72238%0.383SS*.THydrogen-bonded Turntrans69.632.7-174.600000112.9V39 K40V39-G43 PolarHBondContact O-N 3.21Å; K40-G43 PolarHBondContact O-N 2.92Å
44L94.1Very high91.7Very high20 Ų2070 Ų7011%0.10539%0.391CS..  trans-87.6156.2-177.6-64.4175000111.7Y38 V39 Q42 F152 K155 L156 L159Y38-L44 HydrophobicContact CD1-CD1 4.47Å; Y38-L44 HydrophobicContact CE1-CD1 4.02Å; V39-L44 HydrophobicContact CG1-CB 4.24Å; V39-L44 WeakPolarHBondContact CG1-O 3.23Å; V39-L44 PolarHBondContact O-N 3.06Å; Q42-L44 HydrophobicContact CB-CD1 3.86Å; Q42-L44 HydrophobicContact CB-CG 3.71Å; Q42-L44 HydrophobicContact CG-CD1 4.46Å; L44-F152 HydrophobicContact CD2-CE2 3.98Å; L44-K155 HydrophobicContact CD1-CB 4.37Å; L44-K155 HydrophobicContact CD2-CB 4.34Å; L44-L156 HydrophobicContact CD1-CD2 4.44Å; L44-L156 HydrophobicContact CD2-CD2 3.83Å; L44-L159 HydrophobicContact CD1-CB 4.23Å; L44-L159 HydrophobicContact CD1-CD2 3.94Å
45N89.8Confident91.1Very high102 Ų10272 Ų7255%0.54541%0.414SS..  trans-80.4135.4169.9-170.2-30.3000109.7N47 I48N45-N47 PolarHBondContact O-N 3.43Å; N45-N47 PolarHBondContact OD1-N 3.49Å; N45-I48 WeakPolarHBondContact O-CB 3.41Å; N45-I48 WeakPolarHBondContact O-CG2 3.45Å; N45-I48 PolarHBondContact O-N 3.46Å
46K78.8Confident90.8Very high166 Ų16670.7 Ų70.772%0.72241%0.409SS*.THydrogen-bonded Turntrans-59.3-24.7175.9-66.9-173.1177.6-1690113.5V39V39-K46 HydrophobicContact CG1-CG 4.11Å
47N83.8Confident90.6Very high146 Ų14666.4 Ų66.478%0.78139%0.391SS*.THydrogen-bonded Turntrans-102.719.5-177-59.2-24.6000113.2N45N45-N47 PolarHBondContact O-N 3.43Å; N45-N47 PolarHBondContact OD1-N 3.49Å
48I88.8Confident90.3Very high53 Ų5368.9 Ų68.927%0.27240%0.404SS..  trans-67.8134.6-180-163.5151.2000110.7N45 L50 F152 L156 L159N45-I48 WeakPolarHBondContact O-CB 3.41Å; N45-I48 WeakPolarHBondContact O-CG2 3.45Å; N45-I48 PolarHBondContact O-N 3.46Å; I48-L50 HydrophobicContact CG2-CD2 3.89Å; I48-L50 HydrophobicContact CG2-CG 4.26Å; I48-F152 HydrophobicContact CD1-CZ 4.26Å; I48-L156 HydrophobicContact CD1-CD2 3.41Å; I48-L156 VanDerWaalsContact CD1-CD2 3.41Å; I48-L156 HydrophobicContact CG1-CD2 4.16Å; I48-L159 HydrophobicContact CG2-CD2 3.94Å
49N88.3Confident90Very high100 Ų10069.5 Ų69.554%0.53541%0.41SS..  trans-78.2130.8174-177.2-52.9000109.1D51N49-D51 PolarHBondContact ND2-OD2 2.97Å; N49-D51 VanDerWaalsContact OD1-CB 3.25Å; N49-D51 WeakPolarHBondContact OD1-CB 3.15Å; N49-D51 VanDerWaalsContact OD1-CG 3.27Å; N49-D51 PolarHBondContact OD1-N 3.19Å; N49-D51 PolarHBondContact OD1-OD2 3Å
50L90.1Very high89.4Confident5 Ų571 Ų713%0.02642%0.422CS..  trans-11714-179.6-56.5177.5000113I48 S52 V53 L156 L159 K160 Q163I48-L50 HydrophobicContact CG2-CD2 3.89Å; I48-L50 HydrophobicContact CG2-CG 4.26Å; L50-S52 PolarHBondContact O-N 3.05Å; L50-V53 HydrophobicContact CB-CG2 4.27Å; L50-V53 HydrophobicContact CD2-CG2 4.19Å; L50-V53 WeakPolarHBondContact O-CB 3.28Å; L50-V53 PolarHBondContact O-N 3.16Å; L50-V53 VanDerWaalsContact O-N 3.16Å; L50-L156 HydrophobicContact CD2-CB 4.12Å; L50-L156 HydrophobicContact CD2-CD2 4.11Å; L50-L159 HydrophobicContact CD1-CB 4.19Å; L50-L159 HydrophobicContact CD1-CD2 3.93Å; L50-L159 HydrophobicContact CD1-CG 3.76Å; L50-K160 HydrophobicContact CB-CB 4.43Å; L50-K160 HydrophobicContact CB-CD 3.83Å; L50-K160 HydrophobicContact CD1-CB 4.11Å; L50-K160 HydrophobicContact CD1-CD 4.35Å; L50-K160 WeakPolarHBondContact O-CE 3.45Å; L50-Q163 VanDerWaalsContact CD1-OE1 3.31Å
51D86.9Confident88.8Confident129 Ų12966.4 Ų66.469%0.6941%0.408SS*.THydrogen-bonded Turntrans-68.6-26.9-177.1-59.1-27.7000111.9N49 V53N49-D51 PolarHBondContact ND2-OD2 2.97Å; N49-D51 VanDerWaalsContact OD1-CB 3.25Å; N49-D51 WeakPolarHBondContact OD1-CB 3.15Å; N49-D51 VanDerWaalsContact OD1-CG 3.27Å; N49-D51 PolarHBondContact OD1-N 3.19Å; N49-D51 PolarHBondContact OD1-OD2 3Å; D51-V53 VanDerWaalsContact C-N 3.3Å
52S84.7Confident88.3Confident103 Ų10370.2 Ų70.272%0.7243%0.43SS*.THydrogen-bonded Turntrans-79.3-10.5175.158.80000113.8L50 A54L50-S52 PolarHBondContact O-N 3.05Å; S52-A54 PolarHBondContact O-N 2.88Å
53V87.5Confident87.8Confident25 Ų2576.3 Ų76.315%0.15245%0.453CS..  trans-79.2102.5179.1-178.80000109L50 D51 L156 W157 K160L50-V53 HydrophobicContact CB-CG2 4.27Å; L50-V53 HydrophobicContact CD2-CG2 4.19Å; L50-V53 WeakPolarHBondContact O-CB 3.28Å; L50-V53 PolarHBondContact O-N 3.16Å; L50-V53 VanDerWaalsContact O-N 3.16Å; D51-V53 VanDerWaalsContact C-N 3.3Å; V53-L156 HydrophobicContact CG2-CB 4.06Å; V53-W157 HydrophobicContact CG1-CB 4.28Å; V53-K160 HydrophobicContact CB-CB 4.18Å; V53-K160 HydrophobicContact CB-CG 4.04Å; V53-K160 HydrophobicContact CG1-CB 3.79Å; V53-K160 HydrophobicContact CG1-CG 3.87Å
54A86.3Confident87.4Confident82 Ų8276.2 Ų76.268%0.67843%0.431SS*.  trans-82.3169.1-179.700000113S52 V56S52-A54 PolarHBondContact O-N 2.88Å; A54-V56 VanDerWaalsContact C-N 3.34Å; A54-V56 PolarHBondContact O-N 3.37Å
55G85.6Confident86.9Confident53 Ų5380.8 Ų80.855%0.54646%0.464SS..SBendtrans80.56.7169.400000115.4M86G55-M86 WeakPolarHBondContact O-CE 3.38Å
56V91.5Very high86.9Confident13 Ų1381.8 Ų81.88%0.07947%0.466CS..SBendtrans-104.1130.2172.6-174.10000109.3A54 V58 F83 M86 K160 V161 E164A54-V56 VanDerWaalsContact C-N 3.34Å; A54-V56 PolarHBondContact O-N 3.37Å; V56-V58 PolarHBondContact O-N 3.15Å; V56-F83 HydrophobicContact CG1-CE1 4.02Å; V56-M86 HydrophobicContact CG1-SD 4.36Å; V56-K160 HydrophobicContact CB-CG 4.02Å; V56-K160 HydrophobicContact CG1-CG 4.33Å; V56-K160 HydrophobicContact CG2-CB 4.31Å; V56-K160 HydrophobicContact CG2-CG 3.8Å; V56-V161 HydrophobicContact CG1-CG2 4.32Å; V56-V161 HydrophobicContact CG2-CG2 3.94Å; V56-E164 HydrophobicContact CB-CG 4.37Å; V56-E164 HydrophobicContact CG1-CB 3.67Å; V56-E164 HydrophobicContact CG1-CG 3.64Å
57P91.1Very high87.6Confident33 Ų3374.6 Ų74.621%0.21444%0.435CS..  trans-62.3126.3-178.9-21.332.5000111.5T82 F83 W168P57-T82 HydrophobicContact CG-CG2 3.66Å; P57-F83 HydrophobicContact CB-CZ 4.39Å; P57-F83 HydrophobicContact CG-CZ 4.5Å; P57-W168 HydrophobicContact CB-CZ2 4.47Å; P57-W168 PolarHBondContact O-NE1 3.24Å
58V92.3Very high88Confident91 Ų9171.2 Ų71.255%0.55242%0.42SS*.  trans-93.7138.3178.9-177.30000110.2V56 S60 W168V56-V58 PolarHBondContact O-N 3.15Å; V58-S60 PolarHBondContact O-N 2.67Å; V58-W168 WeakPolarHBondContact O-CZ2 3.46Å
59A89.8Confident88.3Confident16 Ų1670.7 Ų70.713%0.13242%0.416CS..  trans-77.963.1176.100000111.7Q167 W168 R171A59-Q167 HydrophobicContact CB-CB 4.04Å; A59-W168 HydrophobicContact CB-CD2 3.97Å; A59-W168 HydrophobicContact CB-CG 3.9Å; A59-R171 HydrophobicContact CB-CB 4.19Å
60S84.8Confident88.5Confident50 Ų5066.7 Ų66.735%0.3540%0.397SS..  trans-57.5143.5-179.8169.90000111.8V58 D62 W64V58-S60 PolarHBondContact O-N 2.67Å; S60-D62 PolarHBondContact OG-N 3.29Å; S60-D62 PolarHBondContact OG-OD2 3.39Å; S60-W64 PolarHBondContact O-NE1 3.4Å
61T85.3Confident88.7Confident74 Ų7469.8 Ų69.845%0.45441%0.411SS..  trans-110.20178.464.30000113.7R63 W64T61-R63 PolarHBondContact O-N 3.23Å; T61-R63 VanDerWaalsContact O-N 3.15Å; T61-W64 HydrophobicContact CG2-CD2 4.15Å; T61-W64 HydrophobicContact CG2-CH2 3.81Å; T61-W64 HydrophobicContact CG2-CZ2 3.32Å; T61-W64 HydrophobicContact CG2-CZ3 4.4Å; T61-W64 PolarHBondContact O-N 2.98Å
62D84.4Confident89.1Confident136 Ų13664.3 Ų64.373%0.72738%0.381SS*.THydrogen-bonded Turntrans-65.1-27.6-164-57.9-40.5000113.3S60S60-D62 PolarHBondContact OG-N 3.29Å; S60-D62 PolarHBondContact OG-OD2 3.39Å
63R85.8Confident89.7Confident136 Ų13659.4 Ų59.451%0.51335%0.347SS..THydrogen-bonded Turntrans-112.915.8-176.4-61.8-177.364.9-148.3-5.9113.6T61 S65 E66 M67T61-R63 PolarHBondContact O-N 3.23Å; T61-R63 VanDerWaalsContact O-N 3.15Å; R63-S65 PolarHBondContact O-N 3.15Å; R63-S65 VanDerWaalsContact O-N 3.11Å; R63-E66 IonicContact CZ-OE2 3.77Å; R63-E66 IonicContact NE-OE2 2.77Å; R63-E66 PolarHBondContact NE-OE2 2.94Å; R63-E66 IonicContact NH2-OE2 3.19Å; R63-E66 PolarHBondContact O-N 3.08Å; R63-M67 WeakPolarHBondContact O-CG 3.21Å; R63-M67 PolarHBondContact O-N 2.98Å
64W86.2Confident90Very high67 Ų6761.7 Ų61.725%0.25436%0.356SS..THydrogen-bonded Turntrans-56.9-31.3-175-85.113.5000114.4S60 T61 E66 R72 R171 H174S60-W64 PolarHBondContact O-NE1 3.4Å; T61-W64 HydrophobicContact CG2-CD2 4.15Å; T61-W64 HydrophobicContact CG2-CH2 3.81Å; T61-W64 HydrophobicContact CG2-CZ2 3.32Å; T61-W64 HydrophobicContact CG2-CZ3 4.4Å; T61-W64 PolarHBondContact O-N 2.98Å; W64-E66 VanDerWaalsContact C-N 3.31Å; W64-R72 PolarHBondContact O-NH2 2.85Å; W64-R171 HydrophobicContact CZ2-CB 4.27Å; W64-R171 HydrophobicContact CZ2-CG 4.08Å; W64-H174 AromaticContact CE3-CE1 3.75Å; W64-H174 AromaticContact CE3-ND1 3.94Å; W64-H174 HydrophobicContact CH2-CB 4.31Å; W64-H174 AromaticContact CZ3-CD2 3.92Å; W64-H174 AromaticContact CZ3-CG 3.91Å
65S83.6Confident90.4Very high116 Ų11661.3 Ų61.381%0.81134%0.34SS*.THydrogen-bonded Turntrans-75.8-19.9177.549.10000113.8R63R63-S65 PolarHBondContact O-N 3.15Å; R63-S65 VanDerWaalsContact O-N 3.11Å
66E89.6Confident91Very high123 Ų12359 Ų5958%0.57532%0.315SS*.THydrogen-bonded Turntrans-97.7-20.4-172.5-60.1172.1-175.600112.5R63 W64R63-E66 IonicContact CZ-OE2 3.77Å; R63-E66 IonicContact NE-OE2 2.77Å; R63-E66 PolarHBondContact NE-OE2 2.94Å; R63-E66 IonicContact NH2-OE2 3.19Å; R63-E66 PolarHBondContact O-N 3.08Å; W64-E66 VanDerWaalsContact C-N 3.31Å
67M93.1Very high91.2Very high15 Ų1558.4 Ų58.47%0.07431%0.311CS..  trans-74.5127.5-174.3-67.4179.67800113.1R63 E71 R72 E75 R171R63-M67 WeakPolarHBondContact O-CG 3.21Å; R63-M67 PolarHBondContact O-N 2.98Å; M67-E71 WeakPolarHBondContact CA-OE2 3.4Å; M67-E71 HydrophobicContact CB-CB 4.49Å; M67-E71 HydrophobicContact CE-CB 4.03Å; M67-R72 HydrophobicContact CB-CG 3.99Å; M67-R72 HydrophobicContact CE-CG 4.04Å; M67-R72 PolarHBondContact O-NE 3.07Å; M67-R72 PolarHBondContact O-NH2 3.35Å; M67-R72 HydrophobicContact SD-CG 4.46Å; M67-E75 HydrophobicContact CE-CB 4.26Å; M67-E75 HydrophobicContact CE-CG 3.96Å; M67-E75 WeakPolarHBondContact CE-OE1 3.35Å; M67-R171 PolarHBondContact SD-NH2 3.44Å
68T93.3Very high91.5Very high75 Ų7559.6 Ų59.646%0.4631%0.314SS..  trans-66.8163.7167.164.10000111.9A70 E71 R72T68-A70 VanDerWaalsContact C-N 3.25Å; T68-A70 PolarHBondContact O-N 3.45Å; T68-E71 WeakPolarHBondContact CB-OE2 3.3Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.43Å; T68-E71 PolarHBondContact N-OE2 3.38Å; T68-E71 PolarHBondContact O-N 3.41Å; T68-E71 WeakPolarHBondContact OG1-CB 3.48Å; T68-E71 VanDerWaalsContact OG1-CD 3.31Å; T68-E71 VanDerWaalsContact OG1-CG 3.23Å; T68-E71 WeakPolarHBondContact OG1-CG 3.13Å; T68-E71 PolarHBondContact OG1-N 3.1Å; T68-E71 VanDerWaalsContact OG1-N 3.16Å; T68-E71 PolarHBondContact OG1-OE2 3.04Å; T68-R72 WeakPolarHBondContact O-CG 3.3Å; T68-R72 PolarHBondContact O-N 3.16Å; T68-R72 VanDerWaalsContact O-N 3.08Å
69E93.2Very high91.6Very high42 Ų4255.5 Ų55.520%0.19629%0.29CS..Hα-helixtrans-60-37.5175-59-170.914000112.2R13 R72 L73 M130 I179 H182R13-E69 IonicContact CZ-OE2 3.58Å; R13-E69 IonicContact NH1-OE2 3.5Å; R13-E69 PolarHBondContact NH1-OE2 3.34Å; R13-E69 IonicContact NH2-OE1 2.76Å; R13-E69 PolarHBondContact NH2-OE1 3.12Å; R13-E69 IonicContact NH2-OE2 2.76Å; R13-E69 PolarHBondContact NH2-OE2 3.17Å; E69-R72 PolarHBondContact O-N 3.49Å; E69-L73 WeakPolarHBondContact O-CG 3.47Å; E69-L73 PolarHBondContact O-N 3.05Å; E69-L73 VanDerWaalsContact O-N 3.12Å; E69-M130 HydrophobicContact CB-CE 3.8Å; E69-M130 WeakPolarHBondContact OE2-CE 3.41Å; E69-I179 HydrophobicContact CB-CG1 4.13Å; E69-I179 HydrophobicContact CG-CG1 4.25Å; E69-H182 WeakPolarHBondContact OE1-CB 3.48Å; E69-H182 IonicContact OE1-CG 3.75Å
70A93.6Very high92Very high17 Ų1754.7 Ų54.714%0.1428%0.284CS..Hα-helixtrans-65.6-47.7178.300000111.9T68 R72 L73 Q74 Q132T68-A70 VanDerWaalsContact C-N 3.25Å; T68-A70 PolarHBondContact O-N 3.45Å; A70-R72 VanDerWaalsContact C-N 3.3Å; A70-R72 PolarHBondContact O-N 2.75Å; A70-L73 PolarHBondContact O-N 3.32Å; A70-Q74 WeakPolarHBondContact O-CG 3.16Å; A70-Q74 PolarHBondContact O-N 2.59Å; A70-Q132 HydrophobicContact CB-CG 4.23Å
71E94.8Very high92.5Very high69 Ų6953.7 Ų53.732%0.32227%0.272SS..Hα-helixtrans-61.6-39.3177.6-72.8164.6139.700111.5M67 T68 L73 Q74 E75M67-E71 WeakPolarHBondContact CA-OE2 3.4Å; M67-E71 HydrophobicContact CB-CB 4.49Å; M67-E71 HydrophobicContact CE-CB 4.03Å; T68-E71 WeakPolarHBondContact CB-OE2 3.3Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.43Å; T68-E71 PolarHBondContact N-OE2 3.38Å; T68-E71 PolarHBondContact O-N 3.41Å; T68-E71 WeakPolarHBondContact OG1-CB 3.48Å; T68-E71 VanDerWaalsContact OG1-CD 3.31Å; T68-E71 VanDerWaalsContact OG1-CG 3.23Å; T68-E71 WeakPolarHBondContact OG1-CG 3.13Å; T68-E71 PolarHBondContact OG1-N 3.1Å; T68-E71 VanDerWaalsContact OG1-N 3.16Å; T68-E71 PolarHBondContact OG1-OE2 3.04Å; E71-L73 PolarHBondContact O-N 2.86Å; E71-Q74 PolarHBondContact O-N 2.84Å; E71-E75 WeakPolarHBondContact O-CB 3.44Å; E71-E75 PolarHBondContact O-N 2.89Å
72R95.5Very high93Very high14 Ų1451.4 Ų51.45%0.05326%0.258CS..Hα-helixtrans-59.4-48.6174.4-70.8174.3-162.6-78.7-5.9111.5W64 M67 T68 E69 A70 N76 D175 I179W64-R72 PolarHBondContact O-NH2 2.85Å; M67-R72 HydrophobicContact CB-CG 3.99Å; M67-R72 HydrophobicContact CE-CG 4.04Å; M67-R72 PolarHBondContact O-NE 3.07Å; M67-R72 PolarHBondContact O-NH2 3.35Å; M67-R72 HydrophobicContact SD-CG 4.46Å; T68-R72 WeakPolarHBondContact O-CG 3.3Å; T68-R72 PolarHBondContact O-N 3.16Å; T68-R72 VanDerWaalsContact O-N 3.08Å; E69-R72 PolarHBondContact O-N 3.49Å; A70-R72 VanDerWaalsContact C-N 3.3Å; A70-R72 PolarHBondContact O-N 2.75Å; R72-N76 WeakPolarHBondContact O-CB 3.48Å; R72-N76 PolarHBondContact O-N 3.37Å; R72-N76 PolarHBondContact O-ND2 2.91Å; R72-D175 HydrophobicContact CB-CB 4.09Å; R72-D175 WeakPolarHBondContact CD-OD1 3.46Å; R72-D175 HydrophobicContact CG-CB 4.29Å; R72-D175 IonicContact CZ-OD1 3.92Å; R72-D175 IonicContact NH1-OD1 3.43Å; R72-D175 PolarHBondContact NH1-OD1 3.45Å; R72-I179 HydrophobicContact CB-CD1 4.34Å
73L95.9Very high93.6Very high1 Ų144.9 Ų44.91%0.00522%0.223CC..Hα-helixtrans-63.9-42.1179.5-71.4174.8000111.8E69 A70 E71 N76 L77 L123 L126 M127 M130 I179E69-L73 WeakPolarHBondContact O-CG 3.47Å; E69-L73 PolarHBondContact O-N 3.05Å; E69-L73 VanDerWaalsContact O-N 3.12Å; A70-L73 PolarHBondContact O-N 3.32Å; E71-L73 PolarHBondContact O-N 2.86Å; L73-N76 PolarHBondContact O-N 3.37Å; L73-L77 VanDerWaalsContact O-CB 3.29Å; L73-L77 WeakPolarHBondContact O-CB 3.34Å; L73-L77 PolarHBondContact O-N 2.65Å; L73-L123 HydrophobicContact CD2-CD2 3.93Å; L73-L126 HydrophobicContact CD1-CD2 4.45Å; L73-L126 HydrophobicContact CD1-CG 4.14Å; L73-L126 HydrophobicContact CD2-CD2 3.7Å; L73-L126 HydrophobicContact CD2-CG 4.19Å; L73-M127 HydrophobicContact CB-CG 3.76Å; L73-M127 HydrophobicContact CB-SD 4.12Å; L73-M127 HydrophobicContact CD1-CG 3.83Å; L73-M127 HydrophobicContact CG-CG 4.33Å; L73-M130 HydrophobicContact CD1-CE 4.34Å; L73-M130 HydrophobicContact CD1-SD 3.75Å; L73-I179 HydrophobicContact CD1-CD1 4.4Å; L73-I179 HydrophobicContact CD2-CD1 3.65Å; L73-I179 HydrophobicContact CG-CD1 3.74Å
74Q95Very high94.2Very high73 Ų7341.8 Ų41.834%0.34122%0.215SC..Hα-helixtrans-62.5-48178-74174.6-7.600112.1A70 E71 N76 L77 Q78 M127 P135A70-Q74 WeakPolarHBondContact O-CG 3.16Å; A70-Q74 PolarHBondContact O-N 2.59Å; E71-Q74 PolarHBondContact O-N 2.84Å; Q74-N76 PolarHBondContact O-N 2.76Å; Q74-L77 PolarHBondContact O-N 3.03Å; Q74-Q78 WeakPolarHBondContact O-CB 3.23Å; Q74-Q78 PolarHBondContact O-N 3.31Å; Q74-M127 HydrophobicContact CG-CE 3.58Å; Q74-P135 HydrophobicContact CG-CG 4.44Å
75E94.9Very high94.6Very high74 Ų7439.4 Ų39.435%0.34621%0.211SC..Hα-helixtrans-64.4-41178.4-76.9-164.7-144.700112.1M67 E71 A79 R171M67-E75 HydrophobicContact CE-CB 4.26Å; M67-E75 HydrophobicContact CE-CG 3.96Å; M67-E75 WeakPolarHBondContact CE-OE1 3.35Å; E71-E75 WeakPolarHBondContact O-CB 3.44Å; E71-E75 PolarHBondContact O-N 2.89Å; E75-A79 VanDerWaalsContact O-CB 3.31Å; E75-A79 WeakPolarHBondContact O-CB 3.46Å; E75-A79 PolarHBondContact O-N 3.47Å; E75-R171 IonicContact OE2-CZ 2.82Å; E75-R171 IonicContact OE2-NH1 2.67Å; E75-R171 PolarHBondContact OE2-NH1 2.79Å; E75-R171 IonicContact OE2-NH2 3.88Å; E75-R171 PolarHBondContact OE2-NH2 3.33Å
76N96.9Very high95.1Very high4 Ų434.1 Ų34.12%0.02117%0.173CC..Hα-helixtrans-62.6-47.6174.1-81.7-89.2000110.7R72 L73 Q74 Q78 A79 Y80 L123 S172 D175R72-N76 WeakPolarHBondContact O-CB 3.48Å; R72-N76 PolarHBondContact O-N 3.37Å; R72-N76 PolarHBondContact O-ND2 2.91Å; L73-N76 PolarHBondContact O-N 3.37Å; Q74-N76 PolarHBondContact O-N 2.76Å; N76-Q78 VanDerWaalsContact C-N 3.35Å; N76-Q78 PolarHBondContact O-N 2.79Å; N76-A79 PolarHBondContact O-N 3.4Å; N76-Y80 WeakPolarHBondContact O-CD2 3.47Å; N76-Y80 PolarHBondContact O-N 3.04Å; N76-L123 HydrophobicContact CB-CD1 3.68Å; N76-S172 VanDerWaalsContact OD1-CA 3.29Å; N76-S172 WeakPolarHBondContact OD1-CA 3.33Å; N76-S172 VanDerWaalsContact OD1-CB 3.23Å; N76-S172 WeakPolarHBondContact OD1-CB 3.43Å; N76-S172 PolarHBondContact OD1-OG 2.85Å; N76-D175 PolarHBondContact ND2-OD2 2.83Å
77L97.1Very high95.5Very high0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-59.7-46.3-179.2179.258.3000111.6L73 Q74 A79 Y80 R81 A120 L123 E124 M127 I134 P135L73-L77 VanDerWaalsContact O-CB 3.29Å; L73-L77 WeakPolarHBondContact O-CB 3.34Å; L73-L77 PolarHBondContact O-N 2.65Å; Q74-L77 PolarHBondContact O-N 3.03Å; L77-A79 PolarHBondContact O-N 3.24Å; L77-Y80 PolarHBondContact O-N 3.3Å; L77-R81 HydrophobicContact CD1-CG 4.19Å; L77-R81 WeakPolarHBondContact O-CB 3.19Å; L77-R81 WeakPolarHBondContact O-CG 3.43Å; L77-R81 PolarHBondContact O-N 3.08Å; L77-A120 HydrophobicContact CD1-CB 4Å; L77-L123 HydrophobicContact CB-CD1 4.37Å; L77-L123 HydrophobicContact CD1-CB 4.46Å; L77-E124 HydrophobicContact CD1-CG 3.77Å; L77-E124 HydrophobicContact CD2-CG 3.85Å; L77-E124 HydrophobicContact CG-CG 4.49Å; L77-M127 HydrophobicContact CD2-SD 3.81Å; L77-I134 HydrophobicContact CD2-CG2 4Å; L77-P135 HydrophobicContact CD2-CG 4.02Å
78Q95.6Very high95.7Very high58 Ų5830.8 Ų30.827%0.27116%0.162SC..Hα-helixtrans-63.5-42.2179.5-172.757.826.300111.8Q74 N76 T82Q74-Q78 WeakPolarHBondContact O-CB 3.23Å; Q74-Q78 PolarHBondContact O-N 3.31Å; N76-Q78 VanDerWaalsContact C-N 3.35Å; N76-Q78 PolarHBondContact O-N 2.79Å; Q78-T82 WeakPolarHBondContact O-CB 3.29Å; Q78-T82 PolarHBondContact O-N 2.85Å; Q78-T82 PolarHBondContact O-OG1 3.31Å
79A95.8Very high95.7Very high5 Ų530.3 Ų30.34%0.04115%0.154CC..Hα-helixtrans-60.2-49.7177.400000111.9E75 N76 L77 R81 T82 F83 W168E75-A79 VanDerWaalsContact O-CB 3.31Å; E75-A79 WeakPolarHBondContact O-CB 3.46Å; E75-A79 PolarHBondContact O-N 3.47Å; N76-A79 PolarHBondContact O-N 3.4Å; L77-A79 PolarHBondContact O-N 3.24Å; A79-R81 PolarHBondContact O-N 2.93Å; A79-T82 WeakPolarHBondContact O-CB 3.47Å; A79-T82 PolarHBondContact O-N 3.48Å; A79-T82 VanDerWaalsContact O-N 3.15Å; A79-F83 HydrophobicContact CB-CD2 4.44Å; A79-F83 HydrophobicContact CB-CE2 4.31Å; A79-F83 WeakPolarHBondContact O-CD2 3.47Å; A79-F83 PolarHBondContact O-N 3.44Å; A79-W168 HydrophobicContact CB-CD2 3.72Å; A79-W168 HydrophobicContact CB-CE3 3.65Å; A79-W168 HydrophobicContact CB-CH2 3.5Å; A79-W168 HydrophobicContact CB-CZ2 3.62Å; A79-W168 HydrophobicContact CB-CZ3 3.54Å
80Y97.8Very high95.9Very high0 Ų028.5 Ų28.50%015%0.145CC..Hα-helixtrans-70.5-33.6-177.5-77.7-105.3000112.6I27 N76 L77 T82 F83 H84 V116 F119 L165 W168 S172I27-Y80 HydrophobicContact CD1-CE1 4.19Å; N76-Y80 WeakPolarHBondContact O-CD2 3.47Å; N76-Y80 PolarHBondContact O-N 3.04Å; L77-Y80 PolarHBondContact O-N 3.3Å; Y80-T82 VanDerWaalsContact C-N 3.31Å; Y80-T82 PolarHBondContact O-N 3.5Å; Y80-F83 PolarHBondContact O-N 2.76Å; Y80-H84 PolarHBondContact O-N 3.02Å; Y80-V116 HydrophobicContact CD1-CG1 4.05Å; Y80-V116 HydrophobicContact CD1-CG2 4.43Å; Y80-V116 VanDerWaalsContact O-CG1 3.27Å; Y80-V116 WeakPolarHBondContact O-CG1 3.31Å; Y80-F119 HydrophobicContact CD1-CB 4.2Å; Y80-F119 AromaticContact CD1-CD1 3.35Å; Y80-F119 HydrophobicContact CD1-CD1 3.35Å; Y80-F119 HydrophobicContact CD1-CE1 4.07Å; Y80-F119 HydrophobicContact CD1-CG 4.1Å; Y80-F119 AromaticContact CD2-CD1 3.84Å; Y80-F119 HydrophobicContact CD2-CD1 3.84Å; Y80-F119 AromaticContact CD2-CE1 3.83Å; Y80-F119 HydrophobicContact CD2-CE1 3.83Å; Y80-F119 HydrophobicContact CE1-CB 4.34Å; Y80-F119 AromaticContact CE1-CD1 3.27Å; Y80-F119 HydrophobicContact CE1-CD1 3.27Å; Y80-F119 AromaticContact CE1-CE1 3.69Å; Y80-F119 HydrophobicContact CE1-CE1 3.69Å; Y80-F119 AromaticContact CE1-CG 3.92Å; Y80-F119 HydrophobicContact CE1-CG 3.92Å; Y80-F119 AromaticContact CE2-CD1 3.76Å; Y80-F119 HydrophobicContact CE2-CD1 3.76Å; Y80-F119 AromaticContact CE2-CE1 3.42Å; Y80-F119 HydrophobicContact CE2-CE1 3.42Å; Y80-F119 VanDerWaalsContact CE2-CE1 3.42Å; Y80-F119 HydrophobicContact CE2-CZ 4.47Å; Y80-F119 AromaticContact CG-CD1 3.62Å; Y80-F119 HydrophobicContact CG-CD1 3.62Å; Y80-F119 HydrophobicContact CG-CE1 4.11Å; Y80-F119 AromaticContact CZ-CD1 3.46Å; Y80-F119 VanDerWaalsContact CZ-CD1 3.46Å; Y80-F119 AromaticContact CZ-CE1 3.32Å; Y80-L165 HydrophobicContact CD1-CD1 4.34Å; Y80-L165 HydrophobicContact CE1-CD1 4.03Å; Y80-W168 HydrophobicContact CE2-CB 4.49Å; Y80-S172 WeakPolarHBondContact CE2-OG 3.37Å; Y80-S172 PolarHBondContact OH-OG 3.02Å
81R96Very high96.1Very high28 Ų2828.1 Ų28.111%0.10614%0.141CC..Hα-helixtrans-61.1-40.7169.2-75.4177.9173.4173.4-3111.7L77 A79 H84 G85 E124 P135 E136 V139L77-R81 HydrophobicContact CD1-CG 4.19Å; L77-R81 WeakPolarHBondContact O-CB 3.19Å; L77-R81 WeakPolarHBondContact O-CG 3.43Å; L77-R81 PolarHBondContact O-N 3.08Å; A79-R81 PolarHBondContact O-N 2.93Å; R81-H84 WeakPolarHBondContact O-CB 3.41Å; R81-H84 PolarHBondContact O-N 3.48Å; R81-G85 PolarHBondContact O-N 3.4Å; R81-E124 IonicContact CZ-OE1 3.62Å; R81-E124 IonicContact NE-OE1 2.62Å; R81-E124 PolarHBondContact NE-OE1 3.41Å; R81-E124 IonicContact NH2-OE1 3.22Å; R81-E124 PolarHBondContact NH2-OE1 2.79Å; R81-P135 PolarHBondContact NH1-O 3.26Å; R81-E136 PolarHBondContact NH1-O 3.4Å; R81-V139 HydrophobicContact CB-CG2 3.79Å
82T95.5Very high96.2Very high26 Ų2629.6 Ų29.616%0.1615%0.148CC..Hα-helixtrans-67.1-46.2176.6-56.40000111.2P57 Q78 A79 Y80 H84 G85 M86P57-T82 HydrophobicContact CG-CG2 3.66Å; Q78-T82 WeakPolarHBondContact O-CB 3.29Å; Q78-T82 PolarHBondContact O-N 2.85Å; Q78-T82 PolarHBondContact O-OG1 3.31Å; A79-T82 WeakPolarHBondContact O-CB 3.47Å; A79-T82 PolarHBondContact O-N 3.48Å; A79-T82 VanDerWaalsContact O-N 3.15Å; Y80-T82 VanDerWaalsContact C-N 3.31Å; Y80-T82 PolarHBondContact O-N 3.5Å; T82-H84 VanDerWaalsContact C-N 3.27Å; T82-H84 PolarHBondContact O-N 3.08Å; T82-G85 PolarHBondContact O-N 3.22Å; T82-G85 VanDerWaalsContact O-N 3.11Å; T82-M86 HydrophobicContact CG2-CE 3.65Å; T82-M86 HydrophobicContact CG2-SD 4.14Å; T82-M86 WeakPolarHBondContact O-CG 3.37Å; T82-M86 PolarHBondContact O-N 3.42Å
83F97Very high96.2Very high0 Ų029.1 Ų29.10%015%0.146CC..Hα-helixtrans-61.1-34.5176.4-78.2-61000112.7V56 P57 A79 Y80 G85 M86 L87 V116 V161 E164 L165 W168V56-F83 HydrophobicContact CG1-CE1 4.02Å; P57-F83 HydrophobicContact CB-CZ 4.39Å; P57-F83 HydrophobicContact CG-CZ 4.5Å; A79-F83 HydrophobicContact CB-CD2 4.44Å; A79-F83 HydrophobicContact CB-CE2 4.31Å; A79-F83 WeakPolarHBondContact O-CD2 3.47Å; A79-F83 PolarHBondContact O-N 3.44Å; Y80-F83 PolarHBondContact O-N 2.76Å; F83-G85 VanDerWaalsContact C-N 3.35Å; F83-G85 PolarHBondContact O-N 3.5Å; F83-M86 HydrophobicContact CD1-SD 4.47Å; F83-M86 PolarHBondContact O-N 3.2Å; F83-L87 VanDerWaalsContact O-CB 3.3Å; F83-L87 WeakPolarHBondContact O-CB 3.42Å; F83-L87 VanDerWaalsContact O-CG 3.25Å; F83-L87 WeakPolarHBondContact O-CG 3.32Å; F83-L87 PolarHBondContact O-N 3.12Å; F83-V116 HydrophobicContact CB-CG1 4.32Å; F83-V161 HydrophobicContact CD1-CG1 4.18Å; F83-E164 HydrophobicContact CE1-CB 4.16Å; F83-E164 HydrophobicContact CZ-CB 3.96Å; F83-L165 HydrophobicContact CB-CD1 4.15Å; F83-L165 HydrophobicContact CD1-CB 4.02Å; F83-L165 HydrophobicContact CD1-CD1 4.37Å; F83-L165 HydrophobicContact CD2-CD1 3.69Å; F83-L165 HydrophobicContact CE1-CB 3.98Å; F83-L165 HydrophobicContact CE2-CD1 4.19Å; F83-L165 HydrophobicContact CG-CB 4.34Å; F83-L165 HydrophobicContact CG-CD1 3.82Å; F83-L165 HydrophobicContact CZ-CB 4.28Å; F83-W168 HydrophobicContact CE2-CB 4.07Å; F83-W168 AromaticContact CE2-CD1 3.29Å; F83-W168 HydrophobicContact CE2-CD2 4.3Å; F83-W168 AromaticContact CE2-CG 3.62Å; F83-W168 HydrophobicContact CE2-CG 3.62Å; F83-W168 AromaticContact CE2-NE1 3.73Å; F83-W168 AromaticContact CZ-CD1 3.44Å; F83-W168 VanDerWaalsContact CZ-CD1 3.44Å; F83-W168 HydrophobicContact CZ-CG 4.19Å; F83-W168 AromaticContact CZ-NE1 3.89Å
84H97.2Very high96.2Very high71 Ų7129.1 Ų29.133%0.32915%0.146SC..Hα-helixtrans-58.6-47.1173.2179.7-92.1000111.6Y80 R81 T82 T88 L113 V116 S117Y80-H84 PolarHBondContact O-N 3.02Å; R81-H84 WeakPolarHBondContact O-CB 3.41Å; R81-H84 PolarHBondContact O-N 3.48Å; T82-H84 VanDerWaalsContact C-N 3.27Å; T82-H84 PolarHBondContact O-N 3.08Å; H84-T88 WeakPolarHBondContact O-CB 3.23Å; H84-T88 PolarHBondContact O-N 3.4Å; H84-T88 PolarHBondContact O-OG1 2.78Å; H84-L113 WeakPolarHBondContact O-CD2 3.3Å; H84-V116 HydrophobicContact CB-CG1 4.1Å; H84-S117 PolarHBondContact CD2-OG 3.47Å; H84-S117 PolarHBondContact NE2-OG 3.27Å
85G94.3Very high96.3Very high17 Ų1731.5 Ų31.518%0.17515%0.152CC..Hα-helixtrans-60.7-45.3174.600000112.6R81 T82 F83 T88 K89R81-G85 PolarHBondContact O-N 3.4Å; T82-G85 PolarHBondContact O-N 3.22Å; T82-G85 VanDerWaalsContact O-N 3.11Å; F83-G85 VanDerWaalsContact C-N 3.35Å; F83-G85 PolarHBondContact O-N 3.5Å; G85-T88 WeakPolarHBondContact O-CB 3.44Å; G85-T88 PolarHBondContact O-N 2.81Å; G85-K89 PolarHBondContact O-N 3.11Å; G85-K89 VanDerWaalsContact O-N 3.08Å
86M95.3Very high96.3Very high5 Ų532.3 Ų32.33%0.02516%0.162CC..Hα-helixtrans-64-44.2179.2-66.2-178.6169.800112.6G55 V56 T82 F83 T88 K89 L90 M142 W157 V161G55-M86 WeakPolarHBondContact O-CE 3.38Å; V56-M86 HydrophobicContact CG1-SD 4.36Å; T82-M86 HydrophobicContact CG2-CE 3.65Å; T82-M86 HydrophobicContact CG2-SD 4.14Å; T82-M86 WeakPolarHBondContact O-CG 3.37Å; T82-M86 PolarHBondContact O-N 3.42Å; F83-M86 HydrophobicContact CD1-SD 4.47Å; F83-M86 PolarHBondContact O-N 3.2Å; M86-T88 VanDerWaalsContact C-N 3.29Å; M86-T88 PolarHBondContact O-N 3.16Å; M86-K89 PolarHBondContact O-N 3.37Å; M86-L90 WeakPolarHBondContact O-CB 3.41Å; M86-L90 PolarHBondContact O-N 3.22Å; M86-M142 HydrophobicContact CB-CE 4.32Å; M86-M142 HydrophobicContact CE-CE 4.15Å; M86-M142 HydrophobicContact CG-CE 3.43Å; M86-M142 VanDerWaalsContact CG-CE 3.43Å; M86-W157 HydrophobicContact CB-CH2 4.03Å; M86-W157 HydrophobicContact CB-CZ2 3.85Å; M86-W157 HydrophobicContact CG-CH2 4.48Å; M86-W157 HydrophobicContact CG-CZ2 3.86Å; M86-W157 VanDerWaalsContact O-CH2 3.27Å; M86-W157 WeakPolarHBondContact O-CH2 3.35Å; M86-W157 HydrophobicContact SD-CZ2 4.49Å; M86-V161 HydrophobicContact CB-CG1 3.89Å; M86-V161 HydrophobicContact CB-CG2 4Å; M86-V161 HydrophobicContact CG-CG2 4.47Å; M86-V161 HydrophobicContact SD-CG2 4.1Å
87L97.4Very high96.1Very high0 Ų036.7 Ų36.70%018%0.182CC..Hα-helixtrans-66.2-33.3177.3-73.1173.8000112F83 L90 L91 L112 L113 V116 V161 L162 L165F83-L87 VanDerWaalsContact O-CB 3.3Å; F83-L87 WeakPolarHBondContact O-CB 3.42Å; F83-L87 VanDerWaalsContact O-CG 3.25Å; F83-L87 WeakPolarHBondContact O-CG 3.32Å; F83-L87 PolarHBondContact O-N 3.12Å; L87-L90 HydrophobicContact CD2-CD1 4.45Å; L87-L90 PolarHBondContact O-N 3.21Å; L87-L91 WeakPolarHBondContact O-CB 3.41Å; L87-L91 PolarHBondContact O-N 3.29Å; L87-L112 HydrophobicContact CD1-CD2 4.03Å; L87-L112 HydrophobicContact CD1-CG 3.99Å; L87-L112 HydrophobicContact CD2-CD2 3.91Å; L87-L113 HydrophobicContact CB-CD2 3.43Å; L87-L113 VanDerWaalsContact CB-CD2 3.43Å; L87-L113 HydrophobicContact CB-CG 3.8Å; L87-L113 HydrophobicContact CD1-CD2 4.38Å; L87-V116 HydrophobicContact CD1-CB 4.44Å; L87-V116 HydrophobicContact CD1-CG2 3.86Å; L87-V161 HydrophobicContact CD2-CG1 4.07Å; L87-V161 HydrophobicContact CG-CG1 4.4Å; L87-L162 HydrophobicContact CD2-CD2 3.85Å; L87-L165 HydrophobicContact CD1-CD2 3.96Å
88T97Very high96Very high68 Ų6838.6 Ų38.642%0.41719%0.19SC..Hα-helixtrans-63-47174.8-60.80000109.9H84 G85 M86 L91 E92H84-T88 WeakPolarHBondContact O-CB 3.23Å; H84-T88 PolarHBondContact O-N 3.4Å; H84-T88 PolarHBondContact O-OG1 2.78Å; G85-T88 WeakPolarHBondContact O-CB 3.44Å; G85-T88 PolarHBondContact O-N 2.81Å; M86-T88 VanDerWaalsContact C-N 3.29Å; M86-T88 PolarHBondContact O-N 3.16Å; T88-L91 PolarHBondContact O-N 2.84Å; T88-E92 PolarHBondContact O-N 3.45Å
89K94.9Very high96Very high65 Ų6536.1 Ų36.128%0.28318%0.179SC..Hα-helixtrans-65.3-41.8176.6-178.764.7-166.7167.10112.5G85 M86 L91 E92 D93 W157G85-K89 PolarHBondContact O-N 3.11Å; G85-K89 VanDerWaalsContact O-N 3.08Å; M86-K89 PolarHBondContact O-N 3.37Å; K89-L91 VanDerWaalsContact C-N 3.33Å; K89-L91 PolarHBondContact O-N 3.38Å; K89-E92 WeakPolarHBondContact CD-OE2 3.34Å; K89-E92 IonicContact NZ-OE2 2.67Å; K89-E92 PolarHBondContact NZ-OE2 3.27Å; K89-E92 WeakPolarHBondContact O-CB 3.34Å; K89-E92 PolarHBondContact O-N 2.82Å; K89-D93 IonicContact NZ-OD1 3.71Å; K89-D93 PolarHBondContact O-N 3.26Å; K89-W157 HydrophobicContact CB-CH2 4.03Å; K89-W157 HydrophobicContact CB-CZ3 4.49Å; K89-W157 HydrophobicContact CG-CH2 4.1Å; K89-W157 HydrophobicContact CG-CZ3 4.29Å
90L96.1Very high96Very high3 Ų340.1 Ų40.12%0.01621%0.205CC..Hα-helixtrans-56.8-47.7174.9-174.6163000110.6Y38 M86 L87 E92 D93 Q94 I109 W157 G158 V161 L162Y38-L90 HydrophobicContact CE2-CD1 4.27Å; Y38-L90 HydrophobicContact CE2-CD2 4.16Å; Y38-L90 HydrophobicContact CE2-CG 4.31Å; M86-L90 WeakPolarHBondContact O-CB 3.41Å; M86-L90 PolarHBondContact O-N 3.22Å; L87-L90 HydrophobicContact CD2-CD1 4.45Å; L87-L90 PolarHBondContact O-N 3.21Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-E92 PolarHBondContact O-N 2.87Å; L90-D93 PolarHBondContact O-N 3Å; L90-Q94 HydrophobicContact CD2-CG 3.92Å; L90-Q94 VanDerWaalsContact O-CG 3.29Å; L90-Q94 WeakPolarHBondContact O-CG 3.42Å; L90-Q94 PolarHBondContact O-N 3.02Å; L90-I109 HydrophobicContact CD2-CD1 3.69Å; L90-I109 HydrophobicContact CD2-CG1 4.3Å; L90-I109 HydrophobicContact CD2-CG2 4.16Å; L90-W157 HydrophobicContact CB-CZ3 4.1Å; L90-G158 WeakPolarHBondContact CD1-O 3.42Å; L90-V161 HydrophobicContact CD1-CB 4.48Å; L90-V161 HydrophobicContact CD1-CG1 4.47Å; L90-L162 HydrophobicContact CD1-CD2 4.39Å; L90-L162 HydrophobicContact CD1-CG 4.21Å
91L97.6Very high96Very high10 Ų1046 Ų465%0.05224%0.241CC..Hα-helixtrans-61.6-41.6178.4179.456.3000112.3L87 T88 K89 Q94 R95 H106 I109 H110 L113L87-L91 WeakPolarHBondContact O-CB 3.41Å; L87-L91 PolarHBondContact O-N 3.29Å; T88-L91 PolarHBondContact O-N 2.84Å; K89-L91 VanDerWaalsContact C-N 3.33Å; K89-L91 PolarHBondContact O-N 3.38Å; L91-Q94 PolarHBondContact O-N 2.91Å; L91-R95 HydrophobicContact CD1-CG 4.31Å; L91-R95 WeakPolarHBondContact O-CG 3.48Å; L91-R95 PolarHBondContact O-N 3.36Å; L91-H106 HydrophobicContact CD1-CB 3.89Å; L91-I109 HydrophobicContact CB-CG2 3.85Å; L91-I109 HydrophobicContact CD1-CB 4.14Å; L91-I109 HydrophobicContact CD1-CD1 4.32Å; L91-I109 HydrophobicContact CD1-CG2 4.16Å; L91-I109 HydrophobicContact CG-CG2 4.41Å; L91-H110 HydrophobicContact CD2-CB 4.35Å; L91-L113 HydrophobicContact CB-CD1 4.49Å; L91-L113 HydrophobicContact CD2-CD1 3.85Å
92E96.7Very high96Very high100 Ų10048.4 Ų48.447%0.46725%0.254SS..Hα-helixtrans-59.8-51.6175.5-173.7-169-166.700111.1T88 K89 L90 Q94 R95 V96T88-E92 PolarHBondContact O-N 3.45Å; K89-E92 WeakPolarHBondContact CD-OE2 3.34Å; K89-E92 IonicContact NZ-OE2 2.67Å; K89-E92 PolarHBondContact NZ-OE2 3.27Å; K89-E92 WeakPolarHBondContact O-CB 3.34Å; K89-E92 PolarHBondContact O-N 2.82Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-E92 PolarHBondContact O-N 2.87Å; E92-Q94 VanDerWaalsContact C-N 3.26Å; E92-Q94 PolarHBondContact O-N 3.03Å; E92-R95 PolarHBondContact O-N 2.95Å; E92-R95 VanDerWaalsContact O-N 3.12Å; E92-V96 HydrophobicContact CG-CG2 4.31Å; E92-V96 WeakPolarHBondContact O-CG2 3.29Å; E92-V96 PolarHBondContact O-N 3.38Å
93D95.5Very high96Very high4 Ų449.3 Ų49.32%0.02127%0.268CS..Hα-helixtrans-60.3-37.1179-78.7-29.4000111.6K89 L90 H97 F98 K154K89-D93 IonicContact NZ-OD1 3.71Å; K89-D93 PolarHBondContact O-N 3.26Å; L90-D93 PolarHBondContact O-N 3Å; D93-H97 WeakPolarHBondContact O-CA 3.36Å; D93-H97 WeakPolarHBondContact O-CB 3.45Å; D93-H97 PolarHBondContact O-N 3.31Å; D93-H97 IonicContact OD1-CD2 3.39Å; D93-F98 HydrophobicContact CB-CD2 4.22Å; D93-F98 HydrophobicContact CB-CE2 3.94Å; D93-F98 WeakPolarHBondContact O-CD2 3.49Å; D93-F98 PolarHBondContact O-N 3.37Å; D93-K154 IonicContact OD1-NZ 2.85Å; D93-K154 PolarHBondContact OD1-NZ 3.25Å; D93-K154 IonicContact OD2-NZ 3.78Å
94Q97.1Very high96Very high1 Ų156.5 Ų56.51%0.00531%0.307CS..Iπ-helixtrans-63.2-46.4174.3-71.2-52.1-4400112.3Q42 L90 L91 E92 F98 T99 F105 I109Q42-Q94 VanDerWaalsContact NE2-CD 3.31Å; Q42-Q94 VanDerWaalsContact NE2-NE2 3.14Å; L90-Q94 HydrophobicContact CD2-CG 3.92Å; L90-Q94 VanDerWaalsContact O-CG 3.29Å; L90-Q94 WeakPolarHBondContact O-CG 3.42Å; L90-Q94 PolarHBondContact O-N 3.02Å; L91-Q94 PolarHBondContact O-N 2.91Å; E92-Q94 VanDerWaalsContact C-N 3.26Å; E92-Q94 PolarHBondContact O-N 3.03Å; Q94-F98 PolarHBondContact O-N 2.89Å; Q94-T99 CarbonylContact O-C 3.39Å; Q94-T99 WeakPolarHBondContact O-CA 3.32Å; Q94-T99 PolarHBondContact O-N 2.66Å; Q94-T99 PolarHBondContact O-OG1 3.35Å; Q94-T99 PolarHBondContact OE1-OG1 2.98Å; Q94-F105 HydrophobicContact CB-CE1 4.47Å; Q94-F105 HydrophobicContact CG-CE1 3.93Å; Q94-I109 HydrophobicContact CB-CD1 4.47Å; Q94-I109 HydrophobicContact CG-CD1 4.02Å
95R96.8Very high96.1Very high122 Ų12253.6 Ų53.646%0.4629%0.293SS..Iπ-helixtrans-66.9-39.5-179.8-78.2173.5170.7173.3-0.2113.1L91 E92 P100 H106L91-R95 HydrophobicContact CD1-CG 4.31Å; L91-R95 WeakPolarHBondContact O-CG 3.48Å; L91-R95 PolarHBondContact O-N 3.36Å; E92-R95 PolarHBondContact O-N 2.95Å; E92-R95 VanDerWaalsContact O-N 3.12Å; R95-P100 WeakPolarHBondContact O-CA 3.33Å; R95-P100 WeakPolarHBondContact O-CB 3.4Å; R95-H106 VanDerWaalsContact CG-CE1 3.5Å; R95-H106 WeakPolarHBondContact CG-CE1 3.42Å; R95-H106 WeakPolarHBondContact CG-ND1 3.46Å
96V95.1Very high96.3Very high91 Ų9153.3 Ų53.355%0.55229%0.287SS*.Iπ-helixtrans-89.1-40-172.1-1790000111.8E92E92-V96 HydrophobicContact CG-CG2 4.31Å; E92-V96 WeakPolarHBondContact O-CG2 3.29Å; E92-V96 PolarHBondContact O-N 3.38Å
97H92.9Very high96.4Very high97 Ų9758.1 Ų58.145%0.44931%0.309SS..Iπ-helixtrans-116-31.1-164.9-61.2-56.9000115.2D93 L151D93-H97 WeakPolarHBondContact O-CA 3.36Å; D93-H97 WeakPolarHBondContact O-CB 3.45Å; D93-H97 PolarHBondContact O-N 3.31Å; D93-H97 IonicContact OD1-CD2 3.39Å; H97-L151 HydrophobicContact CB-CD2 4.3Å
98F95.3Very high96.5Very high39 Ų3960 Ų6017%0.17133%0.325CS..Iπ-helixtrans-115.2-43.4-165.5-59.5-54.4000114.9D93 Q94 L151 K154 K155D93-F98 HydrophobicContact CB-CD2 4.22Å; D93-F98 HydrophobicContact CB-CE2 3.94Å; D93-F98 WeakPolarHBondContact O-CD2 3.49Å; D93-F98 PolarHBondContact O-N 3.37Å; Q94-F98 PolarHBondContact O-N 2.89Å; F98-L151 HydrophobicContact CE1-CB 4.06Å; F98-L151 HydrophobicContact CE1-CD2 3.89Å; F98-L151 HydrophobicContact CE1-CG 4.48Å; F98-L151 HydrophobicContact CZ-CB 4.38Å; F98-L151 HydrophobicContact CZ-CD2 3.96Å; F98-L151 WeakPolarHBondContact CZ-O 3.38Å; F98-K154 HydrophobicContact CE2-CB 4.07Å; F98-K154 HydrophobicContact CZ-CB 3.86Å; F98-K154 HydrophobicContact CZ-CD 4.36Å; F98-K155 HydrophobicContact CD1-CG 4.37Å; F98-K155 HydrophobicContact CE1-CD 4.36Å; F98-K155 HydrophobicContact CE1-CG 3.96Å; F98-K155 HydrophobicContact CE2-CG 4.44Å; F98-K155 HydrophobicContact CZ-CG 4Å
99T95.7Very high96.5Very high6 Ų656.9 Ų56.94%0.03731%0.306CS..  trans-140.651-169.854.50000112.3H41 Q94 T101 E102 F105 H106H41-T99 HydrophobicContact CB-CG2 3.79Å; Q94-T99 CarbonylContact O-C 3.39Å; Q94-T99 WeakPolarHBondContact O-CA 3.32Å; Q94-T99 PolarHBondContact O-N 2.66Å; Q94-T99 PolarHBondContact O-OG1 3.35Å; Q94-T99 PolarHBondContact OE1-OG1 2.98Å; T99-T101 PolarHBondContact O-N 3.43Å; T99-E102 HydrophobicContact CG2-CG 4.13Å; T99-E102 PolarHBondContact O-N 3.23Å; T99-F105 HydrophobicContact CG2-CD1 4.47Å; T99-F105 HydrophobicContact CG2-CE1 4.43Å; T99-H106 PolarHBondContact O-CE1 3.25Å; T99-H106 PolarHBondContact O-NE2 3.13Å; T99-H106 PolarHBondContact OG1-NE2 3.33Å; T99-H106 VanDerWaalsContact OG1-NE2 3.15Å
100P95.8Very high96.7Very high89 Ų8957 Ų5758%0.57831%0.307SS*.THydrogen-bonded Turntrans-58.3-23.7-170.323.9-35.3000114.8R95R95-P100 WeakPolarHBondContact O-CA 3.33Å; R95-P100 WeakPolarHBondContact O-CB 3.4Å
101T96.3Very high96.8Very high124 Ų12459.3 Ų59.376%0.76132%0.322SS*.THydrogen-bonded Turntrans-100.3-3.2-177.854.50000114.2T99 G103T99-T101 PolarHBondContact O-N 3.43Å; T101-G103 PolarHBondContact O-N 3.11Å; T101-G103 VanDerWaalsContact O-N 3.13Å
102E96.7Very high96.9Very high79 Ų7959 Ų5937%0.36932%0.32SS..  trans-9169.5-172.3-59.2-66.116400111.9H41 T99 D104 F105 H106H41-E102 VanDerWaalsContact CE1-CD 3.45Å; H41-E102 IonicContact CE1-OE1 3.43Å; H41-E102 IonicContact CE1-OE2 3.95Å; H41-E102 PolarHBondContact CE1-OE2 3.22Å; T99-E102 HydrophobicContact CG2-CG 4.13Å; T99-E102 PolarHBondContact O-N 3.23Å; E102-D104 PolarHBondContact O-N 3.29Å; E102-F105 HydrophobicContact CB-CB 3.96Å; E102-F105 HydrophobicContact CB-CD1 4.46Å; E102-F105 WeakPolarHBondContact O-CB 3.43Å; E102-F105 PolarHBondContact O-N 2.84Å; E102-H106 PolarHBondContact O-CD2 2.8Å; E102-H106 PolarHBondContact O-N 2.94Å
103G96.1Very high96.9Very high45 Ų4554.8 Ų54.846%0.46430%0.301SS..Hα-helixtrans-57.8-44.3-174.100000114.6T101 F105 H106 Q107T101-G103 PolarHBondContact O-N 3.11Å; T101-G103 VanDerWaalsContact O-N 3.13Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 3.33Å; G103-H106 PolarHBondContact O-N 3.11Å; G103-Q107 WeakPolarHBondContact O-CB 3.07Å; G103-Q107 PolarHBondContact O-N 3.32Å
104D97.4Very high97.1Very high151 Ų15159.6 Ų59.681%0.80733%0.326SS*.Hα-helixtrans-65-37.5-179.8-69.3-21.2000111.9E102 Q107 A108E102-D104 PolarHBondContact O-N 3.29Å; D104-Q107 PolarHBondContact O-N 2.88Å; D104-A108 PolarHBondContact O-N 3.01Å
105F97.8Very high97.2Very high9 Ų960.5 Ų60.54%0.03933%0.33CS..Hα-helixtrans-65.6-42.5175.2176.2-118.3000111.3L34 Y38 H41 Q94 T99 E102 G103 Q107 A108 I109L34-F105 HydrophobicContact CD1-CD2 3.85Å; L34-F105 HydrophobicContact CD1-CE2 3.57Å; Y38-F105 AromaticContact CD2-CZ 3.81Å; Y38-F105 HydrophobicContact CD2-CZ 3.81Å; Y38-F105 HydrophobicContact CG-CZ 4.41Å; H41-F105 AromaticContact CD2-CD2 3.93Å; H41-F105 AromaticContact CD2-CG 3.92Å; Q94-F105 HydrophobicContact CB-CE1 4.47Å; Q94-F105 HydrophobicContact CG-CE1 3.93Å; T99-F105 HydrophobicContact CG2-CD1 4.47Å; T99-F105 HydrophobicContact CG2-CE1 4.43Å; E102-F105 HydrophobicContact CB-CB 3.96Å; E102-F105 HydrophobicContact CB-CD1 4.46Å; E102-F105 WeakPolarHBondContact O-CB 3.43Å; E102-F105 PolarHBondContact O-N 2.84Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 3.33Å; F105-Q107 VanDerWaalsContact C-N 3.32Å; F105-Q107 PolarHBondContact O-N 3.47Å; F105-A108 WeakPolarHBondContact O-CB 3.21Å; F105-A108 PolarHBondContact O-N 3.05Å; F105-I109 HydrophobicContact CD1-CD1 4.19Å; F105-I109 HydrophobicContact CE1-CD1 3.8Å; F105-I109 HydrophobicContact CE2-CD1 4.28Å; F105-I109 HydrophobicContact CZ-CD1 3.85Å; F105-I109 WeakPolarHBondContact O-CG1 3.38Å; F105-I109 PolarHBondContact O-N 2.96Å; F105-I109 VanDerWaalsContact O-N 3.14Å
106H98.4Very high97.3Very high12 Ų1254.7 Ų54.76%0.05631%0.308CS..Hα-helixtrans-63.6-39.1174.1-61.9167.5000112L91 R95 T99 E102 G103 A108 I109 H110L91-H106 HydrophobicContact CD1-CB 3.89Å; R95-H106 VanDerWaalsContact CG-CE1 3.5Å; R95-H106 WeakPolarHBondContact CG-CE1 3.42Å; R95-H106 WeakPolarHBondContact CG-ND1 3.46Å; T99-H106 PolarHBondContact O-CE1 3.25Å; T99-H106 PolarHBondContact O-NE2 3.13Å; T99-H106 PolarHBondContact OG1-NE2 3.33Å; T99-H106 VanDerWaalsContact OG1-NE2 3.15Å; E102-H106 PolarHBondContact O-CD2 2.8Å; E102-H106 PolarHBondContact O-N 2.94Å; G103-H106 PolarHBondContact O-N 3.11Å; H106-A108 VanDerWaalsContact C-N 3.31Å; H106-A108 PolarHBondContact O-N 3.43Å; H106-I109 PolarHBondContact O-N 3.39Å; H106-H110 WeakPolarHBondContact O-CB 3.13Å; H106-H110 PolarHBondContact O-N 3.31Å
107Q98.3Very high97.4Very high105 Ų10551.5 Ų51.549%0.49129%0.29SS..Hα-helixtrans-65.3-36177.2-174.559.725.400111.7G103 D104 F105 H110 T111G103-Q107 WeakPolarHBondContact O-CB 3.07Å; G103-Q107 PolarHBondContact O-N 3.32Å; D104-Q107 PolarHBondContact O-N 2.88Å; F105-Q107 VanDerWaalsContact C-N 3.32Å; F105-Q107 PolarHBondContact O-N 3.47Å; Q107-H110 PolarHBondContact O-N 3.23Å; Q107-T111 WeakPolarHBondContact O-CB 3.46Å; Q107-T111 PolarHBondContact O-N 3.49Å; Q107-T111 PolarHBondContact O-OG1 3.49Å
108A98.5Very high97.7Very high41 Ų4148.7 Ų48.734%0.33928%0.284SS..Hα-helixtrans-64.1-44.6173.800000111.8L34 D104 F105 H106 H110 T111 L112L34-A108 HydrophobicContact CD1-CB 3.96Å; D104-A108 PolarHBondContact O-N 3.01Å; F105-A108 WeakPolarHBondContact O-CB 3.21Å; F105-A108 PolarHBondContact O-N 3.05Å; H106-A108 VanDerWaalsContact C-N 3.31Å; H106-A108 PolarHBondContact O-N 3.43Å; A108-H110 PolarHBondContact O-N 3.24Å; A108-T111 PolarHBondContact O-N 3.27Å; A108-L112 PolarHBondContact O-N 3.44Å
109I98.3Very high97.8Very high1 Ų146.9 Ų46.91%0.00528%0.276CS..Hα-helixtrans-62.9-42.6174.7-60.6164000110.8L34 L90 L91 Q94 F105 H106 T111 L112 L113L34-I109 HydrophobicContact CD1-CG1 3.89Å; L34-I109 HydrophobicContact CD2-CG1 4.16Å; L90-I109 HydrophobicContact CD2-CD1 3.69Å; L90-I109 HydrophobicContact CD2-CG1 4.3Å; L90-I109 HydrophobicContact CD2-CG2 4.16Å; L91-I109 HydrophobicContact CB-CG2 3.85Å; L91-I109 HydrophobicContact CD1-CB 4.14Å; L91-I109 HydrophobicContact CD1-CD1 4.32Å; L91-I109 HydrophobicContact CD1-CG2 4.16Å; L91-I109 HydrophobicContact CG-CG2 4.41Å; Q94-I109 HydrophobicContact CB-CD1 4.47Å; Q94-I109 HydrophobicContact CG-CD1 4.02Å; F105-I109 HydrophobicContact CD1-CD1 4.19Å; F105-I109 HydrophobicContact CE1-CD1 3.8Å; F105-I109 HydrophobicContact CE2-CD1 4.28Å; F105-I109 HydrophobicContact CZ-CD1 3.85Å; F105-I109 WeakPolarHBondContact O-CG1 3.38Å; F105-I109 PolarHBondContact O-N 2.96Å; F105-I109 VanDerWaalsContact O-N 3.14Å; H106-I109 PolarHBondContact O-N 3.39Å; I109-T111 VanDerWaalsContact C-N 3.34Å; I109-T111 PolarHBondContact O-N 3.48Å; I109-L112 WeakPolarHBondContact O-CB 3.38Å; I109-L112 PolarHBondContact O-N 2.89Å; I109-L113 PolarHBondContact O-N 3.14Å
110H98.4Very high97.9Very high67 Ų6746.9 Ų46.931%0.3128%0.276SS..Hα-helixtrans-63.8-39177-176.9-92.5000112.5L91 H106 Q107 A108 L112 L113 L114L91-H110 HydrophobicContact CD2-CB 4.35Å; H106-H110 WeakPolarHBondContact O-CB 3.13Å; H106-H110 PolarHBondContact O-N 3.31Å; Q107-H110 PolarHBondContact O-N 3.23Å; A108-H110 PolarHBondContact O-N 3.24Å; H110-L112 VanDerWaalsContact C-N 3.31Å; H110-L112 PolarHBondContact O-N 3.34Å; H110-L113 WeakPolarHBondContact O-CB 3.25Å; H110-L113 PolarHBondContact O-N 2.93Å; H110-L114 PolarHBondContact O-N 2.81Å; H110-L114 VanDerWaalsContact O-N 3.11Å
111T98.6Very high98.1Very high53 Ų5349.2 Ų49.233%0.32528%0.275SS..Hα-helixtrans-62.3-42.5174.6-58.90000110.8Q107 A108 I109 L113 L114 Q115Q107-T111 WeakPolarHBondContact O-CB 3.46Å; Q107-T111 PolarHBondContact O-N 3.49Å; Q107-T111 PolarHBondContact O-OG1 3.49Å; A108-T111 PolarHBondContact O-N 3.27Å; I109-T111 VanDerWaalsContact C-N 3.34Å; I109-T111 PolarHBondContact O-N 3.48Å; T111-L113 PolarHBondContact O-N 2.94Å; T111-L114 PolarHBondContact O-N 2.62Å; T111-Q115 WeakPolarHBondContact O-CG 3.42Å; T111-Q115 PolarHBondContact O-N 3.46Å; T111-Q115 VanDerWaalsContact O-N 3.08Å
112L98.6Very high98.1Very high2 Ų244.5 Ų44.51%0.0124%0.244CC..Hα-helixtrans-61.9-41.3174.9-177.666.7000112I27 L31 L34 L87 A108 I109 H110 L114 Q115 V116 L162 L165I27-L112 HydrophobicContact CG2-CD1 3.81Å; L31-L112 HydrophobicContact CD2-CD1 4.29Å; L31-L112 HydrophobicContact CD2-CD2 3.56Å; L31-L112 HydrophobicContact CG-CD1 4.05Å; L31-L112 HydrophobicContact CG-CD2 4.23Å; L34-L112 HydrophobicContact CD2-CB 4.46Å; L34-L112 HydrophobicContact CD2-CD2 3.64Å; L87-L112 HydrophobicContact CD1-CD2 4.03Å; L87-L112 HydrophobicContact CD1-CG 3.99Å; L87-L112 HydrophobicContact CD2-CD2 3.91Å; A108-L112 PolarHBondContact O-N 3.44Å; I109-L112 WeakPolarHBondContact O-CB 3.38Å; I109-L112 PolarHBondContact O-N 2.89Å; H110-L112 VanDerWaalsContact C-N 3.31Å; H110-L112 PolarHBondContact O-N 3.34Å; L112-L114 VanDerWaalsContact C-N 3.35Å; L112-L114 PolarHBondContact O-N 3.43Å; L112-Q115 PolarHBondContact O-N 3.48Å; L112-V116 WeakPolarHBondContact O-CG2 3.27Å; L112-V116 PolarHBondContact O-N 3.48Å; L112-L162 HydrophobicContact CD2-CD2 3.89Å; L112-L165 HydrophobicContact CD1-CD2 4.26Å; L112-L165 HydrophobicContact CD2-CD2 4.14Å; L112-L165 HydrophobicContact CG-CD2 4.35Å
113L98.4Very high98.2Very high13 Ų1340.8 Ų40.87%0.06823%0.226CC..Hα-helixtrans-54.6-49.1173.5-87164.2000111.9H84 L87 L91 I109 H110 T111 Q115 V116 S117H84-L113 WeakPolarHBondContact O-CD2 3.3Å; L87-L113 HydrophobicContact CB-CD2 3.43Å; L87-L113 VanDerWaalsContact CB-CD2 3.43Å; L87-L113 HydrophobicContact CB-CG 3.8Å; L87-L113 HydrophobicContact CD1-CD2 4.38Å; L91-L113 HydrophobicContact CB-CD1 4.49Å; L91-L113 HydrophobicContact CD2-CD1 3.85Å; I109-L113 PolarHBondContact O-N 3.14Å; H110-L113 WeakPolarHBondContact O-CB 3.25Å; H110-L113 PolarHBondContact O-N 2.93Å; T111-L113 PolarHBondContact O-N 2.94Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.41Å; L113-V116 PolarHBondContact O-N 3.15Å; L113-S117 PolarHBondContact O-N 3.42Å; L113-S117 PolarHBondContact O-OG 3.01Å
114L98.6Very high98.2Very high105 Ų10540.6 Ų40.655%0.5521%0.214SC..Hα-helixtrans-62.2-39.9178.6-66.1176.4000112.2H110 T111 L112 S117 A118H110-L114 PolarHBondContact O-N 2.81Å; H110-L114 VanDerWaalsContact O-N 3.11Å; T111-L114 PolarHBondContact O-N 2.62Å; L112-L114 VanDerWaalsContact C-N 3.35Å; L112-L114 PolarHBondContact O-N 3.43Å; L114-S117 PolarHBondContact O-N 3.29Å; L114-A118 VanDerWaalsContact O-CB 3.28Å; L114-A118 WeakPolarHBondContact O-CB 3.42Å; L114-A118 PolarHBondContact O-N 2.81Å
115Q98.8Very high98.2Very high20 Ų2038.4 Ų38.49%0.09320%0.198CC..Hα-helixtrans-64.9-42.3176.8-68.3171.2-13.800111.9L23 I27 D30 T111 L112 L113 A118 F119L23-Q115 HydrophobicContact CD1-CB 4.13Å; L23-Q115 HydrophobicContact CD1-CG 4.22Å; I27-Q115 HydrophobicContact CD1-CB 4.1Å; I27-Q115 HydrophobicContact CG1-CB 3.65Å; I27-Q115 HydrophobicContact CG1-CG 4.48Å; D30-Q115 PolarHBondContact OD2-NE2 3.5Å; D30-Q115 PolarHBondContact OD2-OE1 3.01Å; T111-Q115 WeakPolarHBondContact O-CG 3.42Å; T111-Q115 PolarHBondContact O-N 3.46Å; T111-Q115 VanDerWaalsContact O-N 3.08Å; L112-Q115 PolarHBondContact O-N 3.48Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.41Å; Q115-A118 PolarHBondContact O-N 2.84Å; Q115-F119 WeakPolarHBondContact O-CB 3.47Å; Q115-F119 PolarHBondContact O-N 2.98Å
116V98.6Very high98.1Very high0 Ų038 Ų380%020%0.196CC..Hα-helixtrans-63-44177.3166.90000111Y80 F83 H84 L87 L112 L113 F119 A120 L165Y80-V116 HydrophobicContact CD1-CG1 4.05Å; Y80-V116 HydrophobicContact CD1-CG2 4.43Å; Y80-V116 VanDerWaalsContact O-CG1 3.27Å; Y80-V116 WeakPolarHBondContact O-CG1 3.31Å; F83-V116 HydrophobicContact CB-CG1 4.32Å; H84-V116 HydrophobicContact CB-CG1 4.1Å; L87-V116 HydrophobicContact CD1-CB 4.44Å; L87-V116 HydrophobicContact CD1-CG2 3.86Å; L112-V116 WeakPolarHBondContact O-CG2 3.27Å; L112-V116 PolarHBondContact O-N 3.48Å; L113-V116 PolarHBondContact O-N 3.15Å; V116-F119 PolarHBondContact O-N 3.39Å; V116-A120 PolarHBondContact O-N 2.8Å; V116-L165 HydrophobicContact CG2-CD1 4.3Å; V116-L165 HydrophobicContact CG2-CD2 3.84Å
117S97.9Very high98Very high23 Ų2337.4 Ų37.416%0.16119%0.194CC..Hα-helixtrans-63.7-46.5174.8-59.10000112.3H84 L113 L114 F119 A120 Y121H84-S117 PolarHBondContact CD2-OG 3.47Å; H84-S117 PolarHBondContact NE2-OG 3.27Å; L113-S117 PolarHBondContact O-N 3.42Å; L113-S117 PolarHBondContact O-OG 3.01Å; L114-S117 PolarHBondContact O-N 3.29Å; S117-F119 PolarHBondContact O-N 2.94Å; S117-A120 PolarHBondContact O-N 3.03Å; S117-A120 VanDerWaalsContact O-N 3.16Å; S117-Y121 WeakPolarHBondContact O-CD2 3.44Å; S117-Y121 PolarHBondContact O-N 3.38Å
118A98.6Very high97.8Very high39 Ų3936.9 Ų36.932%0.32220%0.198SC..Hα-helixtrans-60.2-36.9177.400000111.9L23 L114 Q115 Y121 Q122L23-A118 HydrophobicContact CD2-CB 3.98Å; L114-A118 VanDerWaalsContact O-CB 3.28Å; L114-A118 WeakPolarHBondContact O-CB 3.42Å; L114-A118 PolarHBondContact O-N 2.81Å; Q115-A118 PolarHBondContact O-N 2.84Å; A118-Y121 PolarHBondContact O-N 3.11Å; A118-Q122 WeakPolarHBondContact O-CG 3.49Å; A118-Q122 PolarHBondContact O-N 3.18Å
119F98.7Very high97.6Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-66.8-44.1175.4-171.6-99.5000111.6S20 L23 A24 I27 Y80 Q115 V116 S117 Y121 Q122 L123 L176S20-F119 VanDerWaalsContact O-CE2 3.27Å; S20-F119 WeakPolarHBondContact O-CE2 3.23Å; L23-F119 HydrophobicContact CB-CD2 4.25Å; L23-F119 HydrophobicContact CD2-CB 3.77Å; L23-F119 HydrophobicContact CD2-CD2 4.17Å; L23-F119 HydrophobicContact CD2-CG 4.5Å; L23-F119 HydrophobicContact CG-CB 4.29Å; L23-F119 HydrophobicContact CG-CD2 4.21Å; A24-F119 HydrophobicContact CB-CE2 3.89Å; A24-F119 HydrophobicContact CB-CZ 4.32Å; I27-F119 HydrophobicContact CD1-CB 4.14Å; I27-F119 HydrophobicContact CD1-CG 4.47Å; Y80-F119 HydrophobicContact CD1-CB 4.2Å; Y80-F119 AromaticContact CD1-CD1 3.35Å; Y80-F119 HydrophobicContact CD1-CD1 3.35Å; Y80-F119 HydrophobicContact CD1-CE1 4.07Å; Y80-F119 HydrophobicContact CD1-CG 4.1Å; Y80-F119 AromaticContact CD2-CD1 3.84Å; Y80-F119 HydrophobicContact CD2-CD1 3.84Å; Y80-F119 AromaticContact CD2-CE1 3.83Å; Y80-F119 HydrophobicContact CD2-CE1 3.83Å; Y80-F119 HydrophobicContact CE1-CB 4.34Å; Y80-F119 AromaticContact CE1-CD1 3.27Å; Y80-F119 HydrophobicContact CE1-CD1 3.27Å; Y80-F119 AromaticContact CE1-CE1 3.69Å; Y80-F119 HydrophobicContact CE1-CE1 3.69Å; Y80-F119 AromaticContact CE1-CG 3.92Å; Y80-F119 HydrophobicContact CE1-CG 3.92Å; Y80-F119 AromaticContact CE2-CD1 3.76Å; Y80-F119 HydrophobicContact CE2-CD1 3.76Å; Y80-F119 AromaticContact CE2-CE1 3.42Å; Y80-F119 HydrophobicContact CE2-CE1 3.42Å; Y80-F119 VanDerWaalsContact CE2-CE1 3.42Å; Y80-F119 HydrophobicContact CE2-CZ 4.47Å; Y80-F119 AromaticContact CG-CD1 3.62Å; Y80-F119 HydrophobicContact CG-CD1 3.62Å; Y80-F119 HydrophobicContact CG-CE1 4.11Å; Y80-F119 AromaticContact CZ-CD1 3.46Å; Y80-F119 VanDerWaalsContact CZ-CD1 3.46Å; Y80-F119 AromaticContact CZ-CE1 3.32Å; Q115-F119 WeakPolarHBondContact O-CB 3.47Å; Q115-F119 PolarHBondContact O-N 2.98Å; V116-F119 PolarHBondContact O-N 3.39Å; S117-F119 PolarHBondContact O-N 2.94Å; F119-Y121 VanDerWaalsContact C-N 3.34Å; F119-Y121 PolarHBondContact O-N 3.27Å; F119-Q122 PolarHBondContact O-N 3.07Å; F119-L123 HydrophobicContact CD1-CD1 3.94Å; F119-L123 HydrophobicContact CD1-CG 4.26Å; F119-L123 HydrophobicContact CE1-CD1 3.64Å; F119-L123 HydrophobicContact CE1-CD2 4.16Å; F119-L123 HydrophobicContact CE1-CG 4Å; F119-L123 HydrophobicContact CZ-CD1 4.45Å; F119-L123 HydrophobicContact CZ-CD2 4.16Å; F119-L123 HydrophobicContact CZ-CG 4.41Å; F119-L123 WeakPolarHBondContact O-CG 3.12Å; F119-L123 PolarHBondContact O-N 2.92Å; F119-L176 HydrophobicContact CE2-CD1 4.05Å; F119-L176 HydrophobicContact CZ-CD1 3.94Å
120A98.1Very high97.2Very high6 Ų638 Ų385%0.0520%0.198CC..Hα-helixtrans-58.5-43.7174.800000112.1L77 V116 S117 Q122 L123 E124L77-A120 HydrophobicContact CD1-CB 4Å; V116-A120 PolarHBondContact O-N 2.8Å; S117-A120 PolarHBondContact O-N 3.03Å; S117-A120 VanDerWaalsContact O-N 3.16Å; A120-Q122 PolarHBondContact O-N 3.08Å; A120-L123 WeakPolarHBondContact O-CB 3.44Å; A120-L123 PolarHBondContact O-N 3.5Å; A120-L123 VanDerWaalsContact O-N 3.15Å; A120-E124 PolarHBondContact O-N 3.43Å
121Y97.9Very high97Very high139 Ų13943.7 Ų43.755%0.54522%0.224SC..Hα-helixtrans-62.8-39.9175.6-62.8-42.4000113S117 A118 F119 L123 E124 E125S117-Y121 WeakPolarHBondContact O-CD2 3.44Å; S117-Y121 PolarHBondContact O-N 3.38Å; A118-Y121 PolarHBondContact O-N 3.11Å; F119-Y121 VanDerWaalsContact C-N 3.34Å; F119-Y121 PolarHBondContact O-N 3.27Å; Y121-L123 VanDerWaalsContact C-N 3.27Å; Y121-L123 PolarHBondContact O-N 3.4Å; Y121-E124 WeakPolarHBondContact O-CB 3.46Å; Y121-E124 PolarHBondContact O-N 3.43Å; Y121-E125 WeakPolarHBondContact O-CG 3.3Å; Y121-E125 PolarHBondContact O-N 3.27Å
122Q98.1Very high96.7Very high24 Ų2444.5 Ų44.511%0.11222%0.224CC..Hα-helixtrans-63.7-33174.7-72.7173.5-6.500112.6L16 S20 A118 F119 A120 L126L16-Q122 HydrophobicContact CD1-CB 4.3Å; L16-Q122 HydrophobicContact CD1-CG 4.34Å; S20-Q122 WeakPolarHBondContact OG-CB 3.34Å; S20-Q122 PolarHBondContact OG-OE1 3.33Å; A118-Q122 WeakPolarHBondContact O-CG 3.49Å; A118-Q122 PolarHBondContact O-N 3.18Å; F119-Q122 PolarHBondContact O-N 3.07Å; A120-Q122 PolarHBondContact O-N 3.08Å; Q122-L126 WeakPolarHBondContact O-CB 3.25Å; Q122-L126 PolarHBondContact O-N 2.83Å; Q122-L126 VanDerWaalsContact O-N 3.11Å
123L97.8Very high96.4Very high1 Ų152 Ų521%0.00526%0.257CS..Hα-helixtrans-69.3-41.4173.3-64.3176.2000111.5L73 N76 L77 F119 A120 Y121 L126 M127 L176L73-L123 HydrophobicContact CD2-CD2 3.93Å; N76-L123 HydrophobicContact CB-CD1 3.68Å; L77-L123 HydrophobicContact CB-CD1 4.37Å; L77-L123 HydrophobicContact CD1-CB 4.46Å; F119-L123 HydrophobicContact CD1-CD1 3.94Å; F119-L123 HydrophobicContact CD1-CG 4.26Å; F119-L123 HydrophobicContact CE1-CD1 3.64Å; F119-L123 HydrophobicContact CE1-CD2 4.16Å; F119-L123 HydrophobicContact CE1-CG 4Å; F119-L123 HydrophobicContact CZ-CD1 4.45Å; F119-L123 HydrophobicContact CZ-CD2 4.16Å; F119-L123 HydrophobicContact CZ-CG 4.41Å; F119-L123 WeakPolarHBondContact O-CG 3.12Å; F119-L123 PolarHBondContact O-N 2.92Å; A120-L123 WeakPolarHBondContact O-CB 3.44Å; A120-L123 PolarHBondContact O-N 3.5Å; A120-L123 VanDerWaalsContact O-N 3.15Å; Y121-L123 VanDerWaalsContact C-N 3.27Å; Y121-L123 PolarHBondContact O-N 3.4Å; L123-L126 WeakPolarHBondContact O-CB 3.29Å; L123-L126 PolarHBondContact O-N 2.96Å; L123-M127 VanDerWaalsContact O-CG 3.3Å; L123-M127 WeakPolarHBondContact O-CG 3.45Å; L123-M127 PolarHBondContact O-N 3.39Å; L123-L176 HydrophobicContact CD2-CD2 4.25Å
124E97.3Very high96.2Very high42 Ų4254.1 Ų54.120%0.19627%0.267CS..Hα-helixtrans-60.1-47.8174.9-70.7172.8-173.800111.4L77 R81 A120 Y121 L126 M127 V128 I134L77-E124 HydrophobicContact CD1-CG 3.77Å; L77-E124 HydrophobicContact CD2-CG 3.85Å; L77-E124 HydrophobicContact CG-CG 4.49Å; R81-E124 IonicContact CZ-OE1 3.62Å; R81-E124 IonicContact NE-OE1 2.62Å; R81-E124 PolarHBondContact NE-OE1 3.41Å; R81-E124 IonicContact NH2-OE1 3.22Å; R81-E124 PolarHBondContact NH2-OE1 2.79Å; A120-E124 PolarHBondContact O-N 3.43Å; Y121-E124 WeakPolarHBondContact O-CB 3.46Å; Y121-E124 PolarHBondContact O-N 3.43Å; E124-L126 VanDerWaalsContact C-N 3.25Å; E124-L126 PolarHBondContact O-N 3.28Å; E124-M127 WeakPolarHBondContact O-CB 3.24Å; E124-M127 PolarHBondContact O-N 3.09Å; E124-M127 VanDerWaalsContact O-N 3.13Å; E124-V128 WeakPolarHBondContact O-CG2 3.42Å; E124-V128 PolarHBondContact O-N 3.2Å; E124-I134 HydrophobicContact CB-CD1 4.02Å; E124-I134 HydrophobicContact CG-CD1 4.34Å; E124-I134 HydrophobicContact CG-CG2 4.19Å
125E96.8Very high95.8Very high104 Ų10450.8 Ų50.849%0.48625%0.252SS..Hα-helixtrans-55.6-41.9174.2-73.8176.4-157.500111.6L16 Y121 V128 L129L16-E125 HydrophobicContact CD2-CB 3.76Å; Y121-E125 WeakPolarHBondContact O-CG 3.3Å; Y121-E125 PolarHBondContact O-N 3.27Å; E125-V128 PolarHBondContact O-N 2.83Å; E125-L129 WeakPolarHBondContact O-CB 3.47Å; E125-L129 PolarHBondContact O-N 2.86Å
126L95.6Very high95.3Very high0 Ų057.3 Ų57.30%028%0.282CS..Hα-helixtrans-68.3-37.7179.1-175.856.6000111.8R13 L16 L73 Q122 L123 E124 L129 M130 L176 I179R13-L126 HydrophobicContact CG-CD1 3.86Å; L16-L126 HydrophobicContact CD2-CB 3.67Å; L16-L126 HydrophobicContact CD2-CD1 4.18Å; L16-L126 HydrophobicContact CD2-CG 4.5Å; L16-L126 HydrophobicContact CG-CB 4.32Å; L73-L126 HydrophobicContact CD1-CD2 4.45Å; L73-L126 HydrophobicContact CD1-CG 4.14Å; L73-L126 HydrophobicContact CD2-CD2 3.7Å; L73-L126 HydrophobicContact CD2-CG 4.19Å; Q122-L126 WeakPolarHBondContact O-CB 3.25Å; Q122-L126 PolarHBondContact O-N 2.83Å; Q122-L126 VanDerWaalsContact O-N 3.11Å; L123-L126 WeakPolarHBondContact O-CB 3.29Å; L123-L126 PolarHBondContact O-N 2.96Å; E124-L126 VanDerWaalsContact C-N 3.25Å; E124-L126 PolarHBondContact O-N 3.28Å; L126-L129 PolarHBondContact O-N 2.92Å; L126-M130 HydrophobicContact CD1-CG 4.44Å; L126-M130 HydrophobicContact CD1-SD 4.06Å; L126-M130 HydrophobicContact CG-SD 4.15Å; L126-M130 WeakPolarHBondContact O-CB 3.49Å; L126-M130 VanDerWaalsContact O-CG 3.28Å; L126-M130 WeakPolarHBondContact O-CG 3.49Å; L126-M130 PolarHBondContact O-N 3.08Å; L126-M130 VanDerWaalsContact O-N 3.08Å; L126-L176 HydrophobicContact CD2-CD2 3.8Å; L126-I179 HydrophobicContact CD2-CG2 4.36Å
127M95.7Very high94.3Very high0 Ų061.7 Ų61.70%031%0.306CS..Hα-helixtrans-63.7-44.8173.7-71.3-17678.500111.5L73 Q74 L77 L123 E124 L129 M130 E131 Q132 K133 I134L73-M127 HydrophobicContact CB-CG 3.76Å; L73-M127 HydrophobicContact CB-SD 4.12Å; L73-M127 HydrophobicContact CD1-CG 3.83Å; L73-M127 HydrophobicContact CG-CG 4.33Å; Q74-M127 HydrophobicContact CG-CE 3.58Å; L77-M127 HydrophobicContact CD2-SD 3.81Å; L123-M127 VanDerWaalsContact O-CG 3.3Å; L123-M127 WeakPolarHBondContact O-CG 3.45Å; L123-M127 PolarHBondContact O-N 3.39Å; E124-M127 WeakPolarHBondContact O-CB 3.24Å; E124-M127 PolarHBondContact O-N 3.09Å; E124-M127 VanDerWaalsContact O-N 3.13Å; M127-L129 VanDerWaalsContact C-N 3.34Å; M127-L129 PolarHBondContact O-N 3.24Å; M127-M130 CarbonylContact O-C 3.44Å; M127-M130 PolarHBondContact O-N 3Å; M127-M130 VanDerWaalsContact O-N 3.16Å; M127-E131 PolarHBondContact O-N 3.12Å; M127-E131 VanDerWaalsContact O-N 3.14Å; M127-Q132 HydrophobicContact CB-CB 4.13Å; M127-Q132 HydrophobicContact CE-CB 4.05Å; M127-Q132 HydrophobicContact CG-CB 4.49Å; M127-Q132 PolarHBondContact O-N 3.3Å; M127-K133 WeakPolarHBondContact CE-O 3.35Å; M127-I134 HydrophobicContact CB-CG1 4.22Å
128V95.4Very high92.8Very high94 Ų9467.6 Ų67.657%0.5733%0.331SS*.Hα-helixtrans-59.3-46.5175.6175.30000110.8E124 E125 M130 E131 I134E124-V128 WeakPolarHBondContact O-CG2 3.42Å; E124-V128 PolarHBondContact O-N 3.2Å; E125-V128 PolarHBondContact O-N 2.83Å; V128-M130 PolarHBondContact O-N 3.15Å; V128-E131 PolarHBondContact O-N 3.39Å; V128-I134 HydrophobicContact CG2-CD1 3.74Å; V128-I134 HydrophobicContact CG2-CG1 4.45Å
129L93.3Very high90.9Very high44 Ų4467.4 Ų67.423%0.2333%0.326CS..Hα-helixtrans-61.5-29.3179.2-176.562.1000112.9L9 H12 R13 E125 L126 M127 E131L9-L129 HydrophobicContact CD2-CD1 3.87Å; H12-L129 HydrophobicContact CB-CD2 4.38Å; R13-L129 VanDerWaalsContact CA-CD2 3.45Å; R13-L129 HydrophobicContact CB-CD2 3.69Å; R13-L129 HydrophobicContact CG-CD2 4.37Å; E125-L129 WeakPolarHBondContact O-CB 3.47Å; E125-L129 PolarHBondContact O-N 2.86Å; L126-L129 PolarHBondContact O-N 2.92Å; M127-L129 VanDerWaalsContact C-N 3.34Å; M127-L129 PolarHBondContact O-N 3.24Å; L129-E131 VanDerWaalsContact C-N 3.33Å
130M90.9Very high88.5Confident23 Ų2375.6 Ų75.611%0.11337%0.37CS..THydrogen-bonded Turntrans-93.710.7177.2-66.4179.157.300113.1E69 L73 L126 M127 V128 Q132 I179E69-M130 HydrophobicContact CB-CE 3.8Å; E69-M130 WeakPolarHBondContact OE2-CE 3.41Å; L73-M130 HydrophobicContact CD1-CE 4.34Å; L73-M130 HydrophobicContact CD1-SD 3.75Å; L126-M130 HydrophobicContact CD1-CG 4.44Å; L126-M130 HydrophobicContact CD1-SD 4.06Å; L126-M130 HydrophobicContact CG-SD 4.15Å; L126-M130 WeakPolarHBondContact O-CB 3.49Å; L126-M130 VanDerWaalsContact O-CG 3.28Å; L126-M130 WeakPolarHBondContact O-CG 3.49Å; L126-M130 PolarHBondContact O-N 3.08Å; L126-M130 VanDerWaalsContact O-N 3.08Å; M127-M130 CarbonylContact O-C 3.44Å; M127-M130 PolarHBondContact O-N 3Å; M127-M130 VanDerWaalsContact O-N 3.16Å; V128-M130 PolarHBondContact O-N 3.15Å; M130-Q132 HydrophobicContact CB-CG 3.87Å; M130-Q132 PolarHBondContact O-N 3.25Å; M130-Q132 VanDerWaalsContact O-N 3.15Å; M130-Q132 PolarHBondContact O-NE2 3.05Å; M130-I179 HydrophobicContact CE-CG2 4.42Å; M130-I179 HydrophobicContact SD-CG2 3.92Å
131E93.2Very high86Confident185 Ų18578 Ų7886%0.86440%0.396SS*.THydrogen-bonded Turntrans55.129.2-178.4-58.2177.8-168.300113.2M127 V128 L129M127-E131 PolarHBondContact O-N 3.12Å; M127-E131 VanDerWaalsContact O-N 3.14Å; V128-E131 PolarHBondContact O-N 3.39Å; L129-E131 VanDerWaalsContact C-N 3.33Å
132Q92.8Very high83.9Confident70 Ų7074 Ų7433%0.32738%0.382SS..PPolyproline II helixtrans-88.9140.2178.1-57.7-55.4-46.500110.6A70 M127 M130 I134A70-Q132 HydrophobicContact CB-CG 4.23Å; M127-Q132 HydrophobicContact CB-CB 4.13Å; M127-Q132 HydrophobicContact CE-CB 4.05Å; M127-Q132 HydrophobicContact CG-CB 4.49Å; M127-Q132 PolarHBondContact O-N 3.3Å; M130-Q132 HydrophobicContact CB-CG 3.87Å; M130-Q132 PolarHBondContact O-N 3.25Å; M130-Q132 VanDerWaalsContact O-N 3.15Å; M130-Q132 PolarHBondContact O-NE2 3.05Å; Q132-I134 PolarHBondContact O-N 3.2Å
133K92.2Very high81.5Confident161 Ų16176.6 Ų76.670%0.740%0.401SS*.PPolyproline II helixtrans-65.7123.8173.2-176.6-178176.7-173.30109.7M127 P135M127-K133 WeakPolarHBondContact CE-O 3.35Å; K133-P135 WeakPolarHBondContact O-CD 3.41Å
134I93.9Very high79.1Confident56 Ų5683.1 Ų83.129%0.28744%0.441SS..PPolyproline II helixtrans-71.8122.9169.4-59.5173.5000108.2L77 E124 M127 V128 Q132L77-I134 HydrophobicContact CD2-CG2 4Å; E124-I134 HydrophobicContact CB-CD1 4.02Å; E124-I134 HydrophobicContact CG-CD1 4.34Å; E124-I134 HydrophobicContact CG-CG2 4.19Å; M127-I134 HydrophobicContact CB-CG1 4.22Å; V128-I134 HydrophobicContact CG2-CD1 3.74Å; V128-I134 HydrophobicContact CG2-CG1 4.45Å; Q132-I134 PolarHBondContact O-N 3.2Å
135P90.9Very high77Confident36 Ų3686.3 Ų86.323%0.23446%0.463CS..PPolyproline II helixtrans-64.2146.1174.126.4-33.9000110.7Q74 L77 R81 K133Q74-P135 HydrophobicContact CG-CG 4.44Å; L77-P135 HydrophobicContact CD2-CG 4.02Å; R81-P135 PolarHBondContact NH1-O 3.26Å; K133-P135 WeakPolarHBondContact O-CD 3.41Å
136E87.3Confident75Confident156 Ų15682.8 Ų82.873%0.72945%0.449SS*.PPolyproline II helixtrans-60.6151.6174.6-70178.5-163.700110.4R81 E138R81-E136 PolarHBondContact NH1-O 3.4Å; E136-E138 PolarHBondContact O-N 2.9Å; E136-E138 VanDerWaalsContact O-N 3.07Å
137N78.5Confident73Confident93 Ų9383.5 Ų83.550%0.49746%0.457SS..  trans-80.992.2-179-168.3-0.5000109.6V139N137-V139 PolarHBondContact O-N 3.45Å; N137-V139 VanDerWaalsContact OD1-CB 3.24Å; N137-V139 WeakPolarHBondContact OD1-CB 3.32Å; N137-V139 WeakPolarHBondContact OD1-CG2 3.49Å; N137-V139 PolarHBondContact OD1-N 3.15Å
138E65.7Low71.5Confident147 Ų14790.4 Ų90.469%0.68749%0.493SS*.G310 helixtrans-73.22.3178-62.8-175171.400113.6E136 D140 G141E136-E138 PolarHBondContact O-N 2.9Å; E136-E138 VanDerWaalsContact O-N 3.07Å; E138-D140 PolarHBondContact O-N 3.27Å; E138-D140 VanDerWaalsContact O-N 3.11Å; E138-G141 PolarHBondContact O-N 2.99Å
139V58.4Low70.3Confident35 Ų3587.8 Ų87.821%0.21249%0.485CS..G310 helixtrans-67.6-11.4-177.6-1770000113.1R81 N137 G141 M142R81-V139 HydrophobicContact CB-CG2 3.79Å; N137-V139 PolarHBondContact O-N 3.45Å; N137-V139 VanDerWaalsContact OD1-CB 3.24Å; N137-V139 WeakPolarHBondContact OD1-CB 3.32Å; N137-V139 WeakPolarHBondContact OD1-CG2 3.49Å; N137-V139 PolarHBondContact OD1-N 3.15Å; V139-G141 PolarHBondContact O-N 2.96Å; V139-G141 VanDerWaalsContact O-N 3.15Å; V139-M142 HydrophobicContact CG1-CG 4.3Å; V139-M142 PolarHBondContact O-N 2.95Å
140D48.6Very low70Confident171 Ų17187.6 Ų87.691%0.91449%0.494SS*.G310 helixtrans-65.2-11.7169.7-13621000112.7E138E138-D140 PolarHBondContact O-N 3.27Å; E138-D140 VanDerWaalsContact O-N 3.11Å
141G46.2Very low70Confident58 Ų5891.4 Ų91.460%0.59851%0.514SS*.G310 helixtrans-109.826175.700000114.6E138 V139 P143E138-G141 PolarHBondContact O-N 2.99Å; V139-G141 PolarHBondContact O-N 2.96Å; V139-G141 VanDerWaalsContact O-N 3.15Å; G141-P143 WeakPolarHBondContact O-CD 3.46Å
142M52.5Low69.9Low54 Ų5488 Ų8827%0.26650%0.497SS..  trans-47.9119.4170.4-110.2-87.6-147.200108.7M86 V139 V144 V146M86-M142 HydrophobicContact CB-CE 4.32Å; M86-M142 HydrophobicContact CE-CE 4.15Å; M86-M142 HydrophobicContact CG-CE 3.43Å; M86-M142 VanDerWaalsContact CG-CE 3.43Å; V139-M142 HydrophobicContact CG1-CG 4.3Å; V139-M142 PolarHBondContact O-N 2.95Å; M142-V144 PolarHBondContact O-N 2.97Å; M142-V146 HydrophobicContact SD-CG2 4.43Å
143P49Very low69.9Low78 Ų7889.6 Ų89.651%0.50650%0.504SS..  trans-59.8121.8-177.313.9-19.6000107.9G141 T145 V146G141-P143 WeakPolarHBondContact O-CD 3.46Å; P143-T145 PolarHBondContact O-N 3.19Å; P143-V146 HydrophobicContact CG-CG2 3.92Å; P143-V146 PolarHBondContact O-N 2.84Å
144V48.1Very low69.9Low139 Ų13983.3 Ų83.384%0.84248%0.477SS*.THydrogen-bonded Turntrans-50.9-10.5-179.5174.40000112.9M142M142-V144 PolarHBondContact O-N 2.97Å
145T52.6Low69.9Low108 Ų10883 Ų8366%0.66347%0.474SS*.THydrogen-bonded Turntrans-91-7.1-179.356.90000115.3P143 G147 D148P143-T145 PolarHBondContact O-N 3.19Å; T145-G147 PolarHBondContact O-N 2.95Å; T145-D148 PolarHBondContact O-N 2.99Å
146V55.2Low70.1Confident30 Ų3082.4 Ų82.418%0.18247%0.468CS..THydrogen-bonded Turntrans-75.887.9178.1-175.60000109.5M142 P143 W157M142-V146 HydrophobicContact SD-CG2 4.43Å; P143-V146 HydrophobicContact CG-CG2 3.92Å; P143-V146 PolarHBondContact O-N 2.84Å; V146-W157 HydrophobicContact CG1-CZ2 3.49Å; V146-W157 VanDerWaalsContact CG1-CZ2 3.49Å
147G52.8Low70.5Confident16 Ų1675.8 Ų75.817%0.16544%0.437CS..THydrogen-bonded Turntrans120.97.517800000115.5T145 G149 K154T145-G147 PolarHBondContact O-N 2.95Å; G147-G149 PolarHBondContact O-N 3.12Å; G147-K154 WeakPolarHBondContact O-CE 3.45Å
148D63.2Low71.4Confident144 Ų14471.3 Ų71.377%0.7741%0.413SS*.  trans-82.96.4176-121.312.8000113.5T145T145-D148 PolarHBondContact O-N 2.99Å
149G70.9Confident72.8Confident39 Ų3965 Ų6540%0.40238%0.384SS..SBendtrans-70.9168.7170.500000112.4G147G147-G149 PolarHBondContact O-N 3.12Å
150G87.1Confident74.7Confident40 Ų4064.1 Ų64.141%0.41238%0.377SS..  trans-59.4170.3174.300000113.1F152 E153 K154G150-F152 PolarHBondContact O-N 2.96Å; G150-F152 VanDerWaalsContact O-N 3.14Å; G150-E153 WeakPolarHBondContact CA-OE2 3.39Å; G150-E153 PolarHBondContact N-OE2 3.43Å; G150-E153 PolarHBondContact O-N 2.91Å; G150-E153 VanDerWaalsContact O-N 3.13Å; G150-E153 VanDerWaalsContact O-OE2 3.11Å; G150-K154 PolarHBondContact O-N 3.35Å
151L90.8Very high77Confident104 Ų10456 Ų5655%0.54533%0.333SS..Hα-helixtrans-58.6-30.1-177.3-69.9179.1000112.9H97 F98 K155H97-L151 HydrophobicContact CB-CD2 4.3Å; F98-L151 HydrophobicContact CE1-CB 4.06Å; F98-L151 HydrophobicContact CE1-CD2 3.89Å; F98-L151 HydrophobicContact CE1-CG 4.48Å; F98-L151 HydrophobicContact CZ-CB 4.38Å; F98-L151 HydrophobicContact CZ-CD2 3.96Å; F98-L151 WeakPolarHBondContact CZ-O 3.38Å; L151-K155 WeakPolarHBondContact O-CG 3.41Å; L151-K155 PolarHBondContact O-N 3.37Å
152F91.5Very high79.4Confident112 Ų11253.2 Ų53.249%0.49131%0.305SS..Hα-helixtrans-74.7-42.7177.6-177.3-112000111.7L44 I48 G150 K154 K155 L156L44-F152 HydrophobicContact CD2-CE2 3.98Å; I48-F152 HydrophobicContact CD1-CZ 4.26Å; G150-F152 PolarHBondContact O-N 2.96Å; G150-F152 VanDerWaalsContact O-N 3.14Å; F152-K154 VanDerWaalsContact C-N 3.3Å; F152-K154 PolarHBondContact O-N 3.35Å; F152-K155 WeakPolarHBondContact O-CB 3.29Å; F152-K155 PolarHBondContact O-N 3.46Å; F152-L156 HydrophobicContact CD1-CD1 4.14Å; F152-L156 HydrophobicContact CD1-CG 4.45Å; F152-L156 HydrophobicContact CE1-CD1 3.6Å; F152-L156 HydrophobicContact CE1-CD2 4.43Å; F152-L156 HydrophobicContact CE1-CG 4.09Å; F152-L156 HydrophobicContact CE2-CD2 4.32Å; F152-L156 HydrophobicContact CZ-CD1 3.99Å; F152-L156 HydrophobicContact CZ-CD2 3.99Å; F152-L156 HydrophobicContact CZ-CG 4.13Å; F152-L156 PolarHBondContact O-N 2.85Å
153E91.9Very high81.5Confident104 Ų10454.2 Ų54.249%0.48631%0.309SS..Hα-helixtrans-59.7-42.2175.7-66.176.9-173.800110.9G150 K155 L156 W157G150-E153 WeakPolarHBondContact CA-OE2 3.39Å; G150-E153 PolarHBondContact N-OE2 3.43Å; G150-E153 PolarHBondContact O-N 2.91Å; G150-E153 VanDerWaalsContact O-N 3.13Å; G150-E153 VanDerWaalsContact O-OE2 3.11Å; E153-K155 VanDerWaalsContact C-N 3.31Å; E153-K155 PolarHBondContact O-N 3.43Å; E153-L156 PolarHBondContact O-N 3.29Å; E153-W157 VanDerWaalsContact O-CB 3.27Å; E153-W157 WeakPolarHBondContact O-CB 3.5Å; E153-W157 PolarHBondContact O-N 3.01Å
154K92.8Very high83.8Confident29 Ų2951.1 Ų51.113%0.12629%0.288CS..Hα-helixtrans-57.9-41.1172.7-74.9-175168.3-162.80112.8D93 F98 G147 G150 F152 W157 G158D93-K154 IonicContact OD1-NZ 2.85Å; D93-K154 PolarHBondContact OD1-NZ 3.25Å; D93-K154 IonicContact OD2-NZ 3.78Å; F98-K154 HydrophobicContact CE2-CB 4.07Å; F98-K154 HydrophobicContact CZ-CB 3.86Å; F98-K154 HydrophobicContact CZ-CD 4.36Å; G147-K154 WeakPolarHBondContact O-CE 3.45Å; G150-K154 PolarHBondContact O-N 3.35Å; F152-K154 VanDerWaalsContact C-N 3.3Å; F152-K154 PolarHBondContact O-N 3.35Å; K154-W157 PolarHBondContact O-N 3.44Å; K154-G158 PolarHBondContact O-N 3.29Å
155K94.8Very high86.2Confident51 Ų5144.5 Ų44.522%0.22225%0.248CC..Hα-helixtrans-63-46.5176.7-72.3176.1171.2-164.30111.7Y38 Q42 L44 F98 L151 F152 E153 G158 L159Y38-K155 WeakPolarHBondContact CE1-O 3.17Å; Y38-K155 WeakPolarHBondContact OH-CA 3.33Å; Y38-K155 PolarHBondContact OH-O 2.88Å; Q42-K155 HydrophobicContact CB-CB 4.41Å; Q42-K155 HydrophobicContact CB-CD 4.12Å; Q42-K155 HydrophobicContact CB-CG 4.2Å; Q42-K155 HydrophobicContact CG-CB 4.44Å; Q42-K155 HydrophobicContact CG-CG 4.17Å; Q42-K155 PolarHBondContact O-NZ 3.49Å; L44-K155 HydrophobicContact CD1-CB 4.37Å; L44-K155 HydrophobicContact CD2-CB 4.34Å; F98-K155 HydrophobicContact CD1-CG 4.37Å; F98-K155 HydrophobicContact CE1-CD 4.36Å; F98-K155 HydrophobicContact CE1-CG 3.96Å; F98-K155 HydrophobicContact CE2-CG 4.44Å; F98-K155 HydrophobicContact CZ-CG 4Å; L151-K155 WeakPolarHBondContact O-CG 3.41Å; L151-K155 PolarHBondContact O-N 3.37Å; F152-K155 WeakPolarHBondContact O-CB 3.29Å; F152-K155 PolarHBondContact O-N 3.46Å; E153-K155 VanDerWaalsContact C-N 3.31Å; E153-K155 PolarHBondContact O-N 3.43Å; K155-G158 PolarHBondContact O-N 3Å; K155-L159 PolarHBondContact O-N 2.91Å
156L95.2Very high88.4Confident22 Ų2240 Ų4012%0.11522%0.221CC..Hα-helixtrans-64.8-42.5177.7-61.5-173.7000111.7L44 I48 L50 V53 F152 E153 L159 K160L44-L156 HydrophobicContact CD1-CD2 4.44Å; L44-L156 HydrophobicContact CD2-CD2 3.83Å; I48-L156 HydrophobicContact CD1-CD2 3.41Å; I48-L156 VanDerWaalsContact CD1-CD2 3.41Å; I48-L156 HydrophobicContact CG1-CD2 4.16Å; L50-L156 HydrophobicContact CD2-CB 4.12Å; L50-L156 HydrophobicContact CD2-CD2 4.11Å; V53-L156 HydrophobicContact CG2-CB 4.06Å; F152-L156 HydrophobicContact CD1-CD1 4.14Å; F152-L156 HydrophobicContact CD1-CG 4.45Å; F152-L156 HydrophobicContact CE1-CD1 3.6Å; F152-L156 HydrophobicContact CE1-CD2 4.43Å; F152-L156 HydrophobicContact CE1-CG 4.09Å; F152-L156 HydrophobicContact CE2-CD2 4.32Å; F152-L156 HydrophobicContact CZ-CD1 3.99Å; F152-L156 HydrophobicContact CZ-CD2 3.99Å; F152-L156 HydrophobicContact CZ-CG 4.13Å; F152-L156 PolarHBondContact O-N 2.85Å; E153-L156 PolarHBondContact O-N 3.29Å; L156-L159 PolarHBondContact O-N 3.23Å; L156-K160 PolarHBondContact O-N 3.08Å
157W95.4Very high90.4Very high17 Ų1743 Ų436%0.06423%0.232CC..Hα-helixtrans-58.6-48.4176.517681.8000111.8V53 M86 K89 L90 V146 E153 K154 L159 K160 V161V53-W157 HydrophobicContact CG1-CB 4.28Å; M86-W157 HydrophobicContact CB-CH2 4.03Å; M86-W157 HydrophobicContact CB-CZ2 3.85Å; M86-W157 HydrophobicContact CG-CH2 4.48Å; M86-W157 HydrophobicContact CG-CZ2 3.86Å; M86-W157 VanDerWaalsContact O-CH2 3.27Å; M86-W157 WeakPolarHBondContact O-CH2 3.35Å; M86-W157 HydrophobicContact SD-CZ2 4.49Å; K89-W157 HydrophobicContact CB-CH2 4.03Å; K89-W157 HydrophobicContact CB-CZ3 4.49Å; K89-W157 HydrophobicContact CG-CH2 4.1Å; K89-W157 HydrophobicContact CG-CZ3 4.29Å; L90-W157 HydrophobicContact CB-CZ3 4.1Å; V146-W157 HydrophobicContact CG1-CZ2 3.49Å; V146-W157 VanDerWaalsContact CG1-CZ2 3.49Å; E153-W157 VanDerWaalsContact O-CB 3.27Å; E153-W157 WeakPolarHBondContact O-CB 3.5Å; E153-W157 PolarHBondContact O-N 3.01Å; K154-W157 PolarHBondContact O-N 3.44Å; W157-L159 VanDerWaalsContact C-N 3.3Å; W157-L159 PolarHBondContact O-N 3.07Å; W157-K160 WeakPolarHBondContact O-CB 3.27Å; W157-K160 PolarHBondContact O-N 3.24Å; W157-K160 VanDerWaalsContact O-N 3.11Å; W157-V161 HydrophobicContact CD2-CG2 4.03Å; W157-V161 HydrophobicContact CE3-CG2 4.44Å; W157-V161 HydrophobicContact CH2-CG2 4.17Å; W157-V161 HydrophobicContact CZ2-CG2 3.71Å; W157-V161 WeakPolarHBondContact O-CG2 3.37Å; W157-V161 PolarHBondContact O-N 3.15Å
158G96Very high92.6Very high0 Ų042.7 Ų42.70%023%0.227CC..Hα-helixtrans-62.4-35.9177.900000113.1Y38 L90 K154 K155 V161 L162Y38-G158 VanDerWaalsContact OH-CA 3.3Å; Y38-G158 WeakPolarHBondContact OH-CA 3.44Å; L90-G158 WeakPolarHBondContact CD1-O 3.42Å; K154-G158 PolarHBondContact O-N 3.29Å; K155-G158 PolarHBondContact O-N 3Å; G158-V161 PolarHBondContact O-N 3.11Å; G158-L162 WeakPolarHBondContact O-CG 3.47Å; G158-L162 PolarHBondContact O-N 3.16Å
159L96.8Very high94.2Very high14 Ų1435.9 Ų35.97%0.07319%0.19CC..Hα-helixtrans-66-42.7173.4-176.859.2000111.6Y38 V39 L44 I48 L50 K155 L156 W157 V161 L162 Q163Y38-L159 HydrophobicContact CD1-CB 4.07Å; Y38-L159 HydrophobicContact CD1-CD1 4.09Å; Y38-L159 HydrophobicContact CE1-CB 3.73Å; V39-L159 HydrophobicContact CG2-CD1 3.82Å; V39-L159 HydrophobicContact CG2-CD2 4.12Å; L44-L159 HydrophobicContact CD1-CB 4.23Å; L44-L159 HydrophobicContact CD1-CD2 3.94Å; I48-L159 HydrophobicContact CG2-CD2 3.94Å; L50-L159 HydrophobicContact CD1-CB 4.19Å; L50-L159 HydrophobicContact CD1-CD2 3.93Å; L50-L159 HydrophobicContact CD1-CG 3.76Å; K155-L159 PolarHBondContact O-N 2.91Å; L156-L159 PolarHBondContact O-N 3.23Å; W157-L159 VanDerWaalsContact C-N 3.3Å; W157-L159 PolarHBondContact O-N 3.07Å; L159-V161 VanDerWaalsContact C-N 3.34Å; L159-V161 PolarHBondContact O-N 2.77Å; L159-L162 PolarHBondContact O-N 2.96Å; L159-Q163 WeakPolarHBondContact O-CB 3.21Å; L159-Q163 PolarHBondContact O-N 3.32Å
160K96.5Very high95.5Very high16 Ų1636.5 Ų36.57%0.0719%0.186CC..Hα-helixtrans-61.8-41.5177.6-177.161.1162.5177.90111.5L50 V53 V56 L156 W157 L162 Q163 E164L50-K160 HydrophobicContact CB-CB 4.43Å; L50-K160 HydrophobicContact CB-CD 3.83Å; L50-K160 HydrophobicContact CD1-CB 4.11Å; L50-K160 HydrophobicContact CD1-CD 4.35Å; L50-K160 WeakPolarHBondContact O-CE 3.45Å; V53-K160 HydrophobicContact CB-CB 4.18Å; V53-K160 HydrophobicContact CB-CG 4.04Å; V53-K160 HydrophobicContact CG1-CB 3.79Å; V53-K160 HydrophobicContact CG1-CG 3.87Å; V56-K160 HydrophobicContact CB-CG 4.02Å; V56-K160 HydrophobicContact CG1-CG 4.33Å; V56-K160 HydrophobicContact CG2-CB 4.31Å; V56-K160 HydrophobicContact CG2-CG 3.8Å; L156-K160 PolarHBondContact O-N 3.08Å; W157-K160 WeakPolarHBondContact O-CB 3.27Å; W157-K160 PolarHBondContact O-N 3.24Å; W157-K160 VanDerWaalsContact O-N 3.11Å; K160-L162 PolarHBondContact O-N 3.25Å; K160-Q163 PolarHBondContact O-N 3.42Å; K160-E164 HydrophobicContact CD-CG 3.88Å; K160-E164 VanDerWaalsContact CE-OE1 3.25Å; K160-E164 WeakPolarHBondContact CE-OE1 3.29Å; K160-E164 HydrophobicContact CG-CG 4.26Å; K160-E164 IonicContact NZ-OE1 3.59Å; K160-E164 PolarHBondContact NZ-OE1 3.24Å; K160-E164 WeakPolarHBondContact O-CB 3.36Å; K160-E164 WeakPolarHBondContact O-CG 3.37Å; K160-E164 PolarHBondContact O-N 2.9Å
161V97.3Very high96Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-56.1-48.9174.8169.20000111.2V56 F83 M86 L87 L90 W157 G158 L159 L165V56-V161 HydrophobicContact CG1-CG2 4.32Å; V56-V161 HydrophobicContact CG2-CG2 3.94Å; F83-V161 HydrophobicContact CD1-CG1 4.18Å; M86-V161 HydrophobicContact CB-CG1 3.89Å; M86-V161 HydrophobicContact CB-CG2 4Å; M86-V161 HydrophobicContact CG-CG2 4.47Å; M86-V161 HydrophobicContact SD-CG2 4.1Å; L87-V161 HydrophobicContact CD2-CG1 4.07Å; L87-V161 HydrophobicContact CG-CG1 4.4Å; L90-V161 HydrophobicContact CD1-CB 4.48Å; L90-V161 HydrophobicContact CD1-CG1 4.47Å; W157-V161 HydrophobicContact CD2-CG2 4.03Å; W157-V161 HydrophobicContact CE3-CG2 4.44Å; W157-V161 HydrophobicContact CH2-CG2 4.17Å; W157-V161 HydrophobicContact CZ2-CG2 3.71Å; W157-V161 WeakPolarHBondContact O-CG2 3.37Å; W157-V161 PolarHBondContact O-N 3.15Å; G158-V161 PolarHBondContact O-N 3.11Å; L159-V161 VanDerWaalsContact C-N 3.34Å; L159-V161 PolarHBondContact O-N 2.77Å; V161-L165 WeakPolarHBondContact O-CB 3.39Å; V161-L165 PolarHBondContact O-N 3.02Å
162L97.8Very high96.3Very high1 Ų130 Ų301%0.00514%0.142CC..Hα-helixtrans-66-40.1179.5-61.8173.5000112L31 L34 M35 Y38 L87 L90 L112 G158 L159 K160 S166L31-L162 HydrophobicContact CD2-CB 4.08Å; L31-L162 HydrophobicContact CD2-CD2 3.7Å; L31-L162 HydrophobicContact CD2-CG 4.49Å; L34-L162 HydrophobicContact CD2-CD2 3.95Å; L34-L162 HydrophobicContact CG-CD1 4.44Å; M35-L162 HydrophobicContact CG-CB 3.66Å; M35-L162 HydrophobicContact CG-CD1 4.21Å; M35-L162 HydrophobicContact SD-CB 4.18Å; Y38-L162 HydrophobicContact CD2-CD1 3.8Å; Y38-L162 HydrophobicContact CG-CD1 3.84Å; L87-L162 HydrophobicContact CD2-CD2 3.85Å; L90-L162 HydrophobicContact CD1-CD2 4.39Å; L90-L162 HydrophobicContact CD1-CG 4.21Å; L112-L162 HydrophobicContact CD2-CD2 3.89Å; G158-L162 WeakPolarHBondContact O-CG 3.47Å; G158-L162 PolarHBondContact O-N 3.16Å; L159-L162 PolarHBondContact O-N 2.96Å; K160-L162 PolarHBondContact O-N 3.25Å; L162-S166 PolarHBondContact O-N 2.9Å; L162-S166 VanDerWaalsContact O-N 3.08Å
163Q96.6Very high96.6Very high75 Ų7525.2 Ų25.235%0.3512%0.121SC..Hα-helixtrans-64.6-49.2178179175.8-16.300112L50 L159 K160 S166 Q167L50-Q163 VanDerWaalsContact CD1-OE1 3.31Å; L159-Q163 WeakPolarHBondContact O-CB 3.21Å; L159-Q163 PolarHBondContact O-N 3.32Å; K160-Q163 PolarHBondContact O-N 3.42Å; Q163-S166 WeakPolarHBondContact O-CB 3.5Å; Q163-S166 PolarHBondContact O-N 3.27Å; Q163-Q167 PolarHBondContact O-N 2.79Å; Q163-Q167 VanDerWaalsContact O-N 3.12Å
164E97.4Very high96.8Very high12 Ų1223.5 Ų23.56%0.05611%0.113CC..Hα-helixtrans-66.6-39.7179.7-68.6-53141.600111.3V56 F83 K160 S166 Q167 W168V56-E164 HydrophobicContact CB-CG 4.37Å; V56-E164 HydrophobicContact CG1-CB 3.67Å; V56-E164 HydrophobicContact CG1-CG 3.64Å; F83-E164 HydrophobicContact CE1-CB 4.16Å; F83-E164 HydrophobicContact CZ-CB 3.96Å; K160-E164 HydrophobicContact CD-CG 3.88Å; K160-E164 VanDerWaalsContact CE-OE1 3.25Å; K160-E164 WeakPolarHBondContact CE-OE1 3.29Å; K160-E164 HydrophobicContact CG-CG 4.26Å; K160-E164 IonicContact NZ-OE1 3.59Å; K160-E164 PolarHBondContact NZ-OE1 3.24Å; K160-E164 WeakPolarHBondContact O-CB 3.36Å; K160-E164 WeakPolarHBondContact O-CG 3.37Å; K160-E164 PolarHBondContact O-N 2.9Å; E164-S166 PolarHBondContact O-N 2.67Å; E164-Q167 WeakPolarHBondContact O-CA 3.25Å; E164-Q167 WeakPolarHBondContact O-CB 3.41Å; E164-Q167 PolarHBondContact O-N 3.21Å; E164-W168 VanDerWaalsContact O-CD1 3.29Å; E164-W168 PolarHBondContact O-N 3.28Å
165L98.4Very high96.9Very high0 Ų022.1 Ų22.10%011%0.107CC..Hα-helixtrans-58.1-40.3173.6-179.360000111.2I27 L31 Y80 F83 L87 L112 V116 V161 Q167 W168 T169I27-L165 HydrophobicContact CG2-CD2 4.46Å; I27-L165 HydrophobicContact CG2-CG 4.46Å; L31-L165 HydrophobicContact CD1-CB 4.21Å; L31-L165 HydrophobicContact CD1-CD2 4.02Å; L31-L165 HydrophobicContact CD1-CG 3.81Å; L31-L165 HydrophobicContact CD2-CD2 4.28Å; Y80-L165 HydrophobicContact CD1-CD1 4.34Å; Y80-L165 HydrophobicContact CE1-CD1 4.03Å; F83-L165 HydrophobicContact CB-CD1 4.15Å; F83-L165 HydrophobicContact CD1-CB 4.02Å; F83-L165 HydrophobicContact CD1-CD1 4.37Å; F83-L165 HydrophobicContact CD2-CD1 3.69Å; F83-L165 HydrophobicContact CE1-CB 3.98Å; F83-L165 HydrophobicContact CE2-CD1 4.19Å; F83-L165 HydrophobicContact CG-CB 4.34Å; F83-L165 HydrophobicContact CG-CD1 3.82Å; F83-L165 HydrophobicContact CZ-CB 4.28Å; L87-L165 HydrophobicContact CD1-CD2 3.96Å; L112-L165 HydrophobicContact CD1-CD2 4.26Å; L112-L165 HydrophobicContact CD2-CD2 4.14Å; L112-L165 HydrophobicContact CG-CD2 4.35Å; V116-L165 HydrophobicContact CG2-CD1 4.3Å; V116-L165 HydrophobicContact CG2-CD2 3.84Å; V161-L165 WeakPolarHBondContact O-CB 3.39Å; V161-L165 PolarHBondContact O-N 3.02Å; L165-Q167 VanDerWaalsContact C-N 3.33Å; L165-Q167 PolarHBondContact O-N 2.93Å; L165-W168 PolarHBondContact O-N 3.47Å; L165-T169 WeakPolarHBondContact O-CG2 3.3Å; L165-T169 PolarHBondContact O-N 3.33Å
166S97.9Very high97Very high14 Ų1419.8 Ų19.810%0.09810%0.097CC..Hα-helixtrans-60.3-41.5173.9176.10000111.8L162 Q163 E164 T169L162-S166 PolarHBondContact O-N 2.9Å; L162-S166 VanDerWaalsContact O-N 3.08Å; Q163-S166 WeakPolarHBondContact O-CB 3.5Å; Q163-S166 PolarHBondContact O-N 3.27Å; E164-S166 PolarHBondContact O-N 2.67Å; S166-T169 PolarHBondContact O-N 3.49Å; S166-T169 PolarHBondContact O-OG1 2.95Å
167Q97.3Very high97Very high92 Ų9225.2 Ų25.243%0.4312%0.116SC..Hα-helixtrans-66.1-40.6175.2-61.1-54.8-28.800112.1A59 Q163 E164 L165 T169 V170 R171A59-Q167 HydrophobicContact CB-CB 4.04Å; Q163-Q167 PolarHBondContact O-N 2.79Å; Q163-Q167 VanDerWaalsContact O-N 3.12Å; E164-Q167 WeakPolarHBondContact O-CA 3.25Å; E164-Q167 WeakPolarHBondContact O-CB 3.41Å; E164-Q167 PolarHBondContact O-N 3.21Å; L165-Q167 VanDerWaalsContact C-N 3.33Å; L165-Q167 PolarHBondContact O-N 2.93Å; Q167-T169 VanDerWaalsContact C-N 3.28Å; Q167-T169 PolarHBondContact O-N 3.49Å; Q167-V170 WeakPolarHBondContact O-CB 3.47Å; Q167-V170 PolarHBondContact O-N 2.74Å; Q167-R171 PolarHBondContact O-N 2.92Å; Q167-R171 VanDerWaalsContact O-N 3.11Å
168W98.2Very high96.9Very high11 Ų1126.1 Ų26.14%0.04212%0.123CC..Hα-helixtrans-59.6-36.4174.9-87.595.2000112.4P57 V58 A59 A79 Y80 F83 E164 L165 V170 R171 S172P57-W168 HydrophobicContact CB-CZ2 4.47Å; P57-W168 PolarHBondContact O-NE1 3.24Å; V58-W168 WeakPolarHBondContact O-CZ2 3.46Å; A59-W168 HydrophobicContact CB-CD2 3.97Å; A59-W168 HydrophobicContact CB-CG 3.9Å; A79-W168 HydrophobicContact CB-CD2 3.72Å; A79-W168 HydrophobicContact CB-CE3 3.65Å; A79-W168 HydrophobicContact CB-CH2 3.5Å; A79-W168 HydrophobicContact CB-CZ2 3.62Å; A79-W168 HydrophobicContact CB-CZ3 3.54Å; Y80-W168 HydrophobicContact CE2-CB 4.49Å; F83-W168 HydrophobicContact CE2-CB 4.07Å; F83-W168 AromaticContact CE2-CD1 3.29Å; F83-W168 HydrophobicContact CE2-CD2 4.3Å; F83-W168 AromaticContact CE2-CG 3.62Å; F83-W168 HydrophobicContact CE2-CG 3.62Å; F83-W168 AromaticContact CE2-NE1 3.73Å; F83-W168 AromaticContact CZ-CD1 3.44Å; F83-W168 VanDerWaalsContact CZ-CD1 3.44Å; F83-W168 HydrophobicContact CZ-CG 4.19Å; F83-W168 AromaticContact CZ-NE1 3.89Å; E164-W168 VanDerWaalsContact O-CD1 3.29Å; E164-W168 PolarHBondContact O-N 3.28Å; L165-W168 PolarHBondContact O-N 3.47Å; W168-V170 VanDerWaalsContact C-N 3.26Å; W168-V170 PolarHBondContact O-N 2.91Å; W168-R171 HydrophobicContact CE3-CG 4.47Å; W168-R171 PolarHBondContact O-N 3.33Å; W168-S172 WeakPolarHBondContact O-CB 3.47Å; W168-S172 PolarHBondContact O-N 3.29Å; W168-S172 PolarHBondContact O-OG 2.76Å
169T98.5Very high96.7Very high0 Ų026.1 Ų26.10%012%0.123CC..Hα-helixtrans-59.8-36.3173.568.30000112.9I27 R28 L165 S166 Q167 I173I27-T169 HydrophobicContact CB-CG2 4.03Å; I27-T169 HydrophobicContact CG2-CG2 3.55Å; R28-T169 HydrophobicContact CB-CG2 4.24Å; R28-T169 WeakPolarHBondContact CB-OG1 3.48Å; R28-T169 WeakPolarHBondContact CD-OG1 3.36Å; L165-T169 WeakPolarHBondContact O-CG2 3.3Å; L165-T169 PolarHBondContact O-N 3.33Å; S166-T169 PolarHBondContact O-N 3.49Å; S166-T169 PolarHBondContact O-OG1 2.95Å; Q167-T169 VanDerWaalsContact C-N 3.28Å; Q167-T169 PolarHBondContact O-N 3.49Å; T169-I173 VanDerWaalsContact O-CD1 3.3Å; T169-I173 WeakPolarHBondContact O-CD1 3.48Å; T169-I173 WeakPolarHBondContact O-CG1 3.41Å; T169-I173 PolarHBondContact O-N 3.18Å
170V97.6Very high96.4Very high52 Ų5227.1 Ų27.132%0.31513%0.131SC..Hα-helixtrans-66.9-47.5177.4-178.60000110.2Q167 W168 I173 H174Q167-V170 WeakPolarHBondContact O-CB 3.47Å; Q167-V170 PolarHBondContact O-N 2.74Å; W168-V170 VanDerWaalsContact C-N 3.26Å; W168-V170 PolarHBondContact O-N 2.91Å; V170-I173 PolarHBondContact O-N 3.11Å; V170-H174 PolarHBondContact O-N 3.04Å; V170-H174 VanDerWaalsContact O-N 3.12Å
171R96.6Very high95.8Very high8 Ų829.5 Ų29.53%0.0315%0.15CC..Hα-helixtrans-57.8-50.3175.3177.2176.8176.2179.59.4111.4A59 W64 M67 E75 Q167 W168 I173 H174 D175A59-R171 HydrophobicContact CB-CB 4.19Å; W64-R171 HydrophobicContact CZ2-CB 4.27Å; W64-R171 HydrophobicContact CZ2-CG 4.08Å; M67-R171 PolarHBondContact SD-NH2 3.44Å; E75-R171 IonicContact OE2-CZ 2.82Å; E75-R171 IonicContact OE2-NH1 2.67Å; E75-R171 PolarHBondContact OE2-NH1 2.79Å; E75-R171 IonicContact OE2-NH2 3.88Å; E75-R171 PolarHBondContact OE2-NH2 3.33Å; Q167-R171 PolarHBondContact O-N 2.92Å; Q167-R171 VanDerWaalsContact O-N 3.11Å; W168-R171 HydrophobicContact CE3-CG 4.47Å; W168-R171 PolarHBondContact O-N 3.33Å; R171-I173 VanDerWaalsContact C-N 3.31Å; R171-I173 PolarHBondContact O-N 2.94Å; R171-H174 WeakPolarHBondContact O-CA 3.36Å; R171-H174 WeakPolarHBondContact O-CB 3.38Å; R171-H174 PolarHBondContact O-N 3.07Å; R171-D175 IonicContact NE-OD2 2.95Å; R171-D175 PolarHBondContact O-N 3.26Å
172S97.8Very high94.3Very high0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-58.3-41.7179.3-55.60000112.7N76 Y80 W168 H174 D175 L176N76-S172 VanDerWaalsContact OD1-CA 3.29Å; N76-S172 WeakPolarHBondContact OD1-CA 3.33Å; N76-S172 VanDerWaalsContact OD1-CB 3.23Å; N76-S172 WeakPolarHBondContact OD1-CB 3.43Å; N76-S172 PolarHBondContact OD1-OG 2.85Å; Y80-S172 WeakPolarHBondContact CE2-OG 3.37Å; Y80-S172 PolarHBondContact OH-OG 3.02Å; W168-S172 WeakPolarHBondContact O-CB 3.47Å; W168-S172 PolarHBondContact O-N 3.29Å; W168-S172 PolarHBondContact O-OG 2.76Å; S172-H174 VanDerWaalsContact C-N 3.3Å; S172-H174 PolarHBondContact O-N 2.96Å; S172-D175 PolarHBondContact O-N 2.89Å; S172-L176 WeakPolarHBondContact O-CB 3.34Å; S172-L176 WeakPolarHBondContact O-CD1 3.35Å; S172-L176 WeakPolarHBondContact O-CG 3.37Å; S172-L176 PolarHBondContact O-N 3.41Å
173I97.7Very high92.5Very high12 Ų1238.6 Ų38.66%0.06219%0.192CC..Hα-helixtrans-63.3-39.5176.7-69.8162.4000110.8I21 A24 R25 T169 V170 R171 R177I21-I173 HydrophobicContact CG2-CG2 4.37Å; A24-I173 HydrophobicContact CB-CD1 4.19Å; A24-I173 HydrophobicContact CB-CG1 3.76Å; R25-I173 HydrophobicContact CG-CD1 3.63Å; R25-I173 HydrophobicContact CG-CG1 4.47Å; T169-I173 VanDerWaalsContact O-CD1 3.3Å; T169-I173 WeakPolarHBondContact O-CD1 3.48Å; T169-I173 WeakPolarHBondContact O-CG1 3.41Å; T169-I173 PolarHBondContact O-N 3.18Å; V170-I173 PolarHBondContact O-N 3.11Å; R171-I173 VanDerWaalsContact C-N 3.31Å; R171-I173 PolarHBondContact O-N 2.94Å; I173-R177 WeakPolarHBondContact O-CB 3.46Å; I173-R177 WeakPolarHBondContact O-CD 3.27Å; I173-R177 WeakPolarHBondContact O-CG 3.39Å; I173-R177 PolarHBondContact O-N 3.24Å; I173-R177 VanDerWaalsContact O-N 3.16Å
174H95.8Very high90.4Very high67 Ų6741.7 Ų41.731%0.3121%0.208SC..Hα-helixtrans-63.5-51.4175.1176.1-86.1000111W64 V170 R171 S172 L176 R177 V178W64-H174 AromaticContact CE3-CE1 3.75Å; W64-H174 AromaticContact CE3-ND1 3.94Å; W64-H174 HydrophobicContact CH2-CB 4.31Å; W64-H174 AromaticContact CZ3-CD2 3.92Å; W64-H174 AromaticContact CZ3-CG 3.91Å; V170-H174 PolarHBondContact O-N 3.04Å; V170-H174 VanDerWaalsContact O-N 3.12Å; R171-H174 WeakPolarHBondContact O-CA 3.36Å; R171-H174 WeakPolarHBondContact O-CB 3.38Å; R171-H174 PolarHBondContact O-N 3.07Å; S172-H174 VanDerWaalsContact C-N 3.3Å; S172-H174 PolarHBondContact O-N 2.96Å; H174-L176 PolarHBondContact O-N 2.79Å; H174-R177 WeakPolarHBondContact O-CB 3.41Å; H174-R177 PolarHBondContact O-N 3.06Å; H174-R177 VanDerWaalsContact O-N 3.1Å; H174-V178 PolarHBondContact O-N 3.39Å
175D95.8Very high87.9Confident1 Ų143.7 Ų43.71%0.00523%0.232CC..Hα-helixtrans-59.5-45.7-179.1-70.9-24.9000112R72 N76 R171 S172 R177 V178 I179R72-D175 HydrophobicContact CB-CB 4.09Å; R72-D175 WeakPolarHBondContact CD-OD1 3.46Å; R72-D175 HydrophobicContact CG-CB 4.29Å; R72-D175 IonicContact CZ-OD1 3.92Å; R72-D175 IonicContact NH1-OD1 3.43Å; R72-D175 PolarHBondContact NH1-OD1 3.45Å; N76-D175 PolarHBondContact ND2-OD2 2.83Å; R171-D175 IonicContact NE-OD2 2.95Å; R171-D175 PolarHBondContact O-N 3.26Å; S172-D175 PolarHBondContact O-N 2.89Å; D175-R177 VanDerWaalsContact C-N 3.27Å; D175-R177 PolarHBondContact O-N 3.39Å; D175-V178 WeakPolarHBondContact O-CB 2.99Å; D175-V178 PolarHBondContact O-N 3.02Å; D175-V178 VanDerWaalsContact O-N 3.14Å; D175-I179 WeakPolarHBondContact O-CD1 3.4Å; D175-I179 VanDerWaalsContact O-CG1 3.23Å; D175-I179 WeakPolarHBondContact O-CG1 2.81Å; D175-I179 PolarHBondContact O-N 3.35Å
176L96.4Very high85.5Confident2 Ų250 Ų501%0.0126%0.264CS..Hα-helixtrans-64.7-29.8177.5-69.9167.1000112.9I21 F119 L123 L126 S172 H174 S180I21-L176 HydrophobicContact CD1-CB 3.89Å; I21-L176 HydrophobicContact CG1-CB 3.56Å; I21-L176 HydrophobicContact CG1-CD1 3.88Å; I21-L176 HydrophobicContact CG1-CG 4.39Å; F119-L176 HydrophobicContact CE2-CD1 4.05Å; F119-L176 HydrophobicContact CZ-CD1 3.94Å; L123-L176 HydrophobicContact CD2-CD2 4.25Å; L126-L176 HydrophobicContact CD2-CD2 3.8Å; S172-L176 WeakPolarHBondContact O-CB 3.34Å; S172-L176 WeakPolarHBondContact O-CD1 3.35Å; S172-L176 WeakPolarHBondContact O-CG 3.37Å; S172-L176 PolarHBondContact O-N 3.41Å; H174-L176 PolarHBondContact O-N 2.79Å; L176-S180 VanDerWaalsContact O-CB 3.23Å; L176-S180 WeakPolarHBondContact O-CB 3.25Å; L176-S180 PolarHBondContact O-N 3.16Å
177R95Very high82.9Confident136 Ų13654 Ų5451%0.51329%0.293SS..Hα-helixtrans-70.5-39.5173.2-77.6169.2173.2168.6-3.4111.9I21 R25 I173 H174 D175 S180 S181I21-R177 HydrophobicContact CD1-CG 4.03Å; R25-R177 VanDerWaalsContact NH2-NH2 3.19Å; I173-R177 WeakPolarHBondContact O-CB 3.46Å; I173-R177 WeakPolarHBondContact O-CD 3.27Å; I173-R177 WeakPolarHBondContact O-CG 3.39Å; I173-R177 PolarHBondContact O-N 3.24Å; I173-R177 VanDerWaalsContact O-N 3.16Å; H174-R177 WeakPolarHBondContact O-CB 3.41Å; H174-R177 PolarHBondContact O-N 3.06Å; H174-R177 VanDerWaalsContact O-N 3.1Å; D175-R177 VanDerWaalsContact C-N 3.27Å; D175-R177 PolarHBondContact O-N 3.39Å; R177-S180 PolarHBondContact O-N 3.31Å; R177-S181 VanDerWaalsContact O-CB 3.32Å; R177-S181 WeakPolarHBondContact O-CB 2.98Å; R177-S181 PolarHBondContact O-N 2.87Å; R177-S181 PolarHBondContact O-OG 3.19Å; R177-S181 VanDerWaalsContact O-OG 3.11Å
178V92.8Very high80.2Confident35 Ų3553.6 Ų53.621%0.21231%0.305CS..Hα-helixtrans-62.2-48.7173.8174.50000109.8H174 D175 S180 S181 H182H174-V178 PolarHBondContact O-N 3.39Å; D175-V178 WeakPolarHBondContact O-CB 2.99Å; D175-V178 PolarHBondContact O-N 3.02Å; D175-V178 VanDerWaalsContact O-N 3.14Å; V178-S180 VanDerWaalsContact C-N 3.27Å; V178-S180 PolarHBondContact O-N 3.02Å; V178-S181 PolarHBondContact O-N 3.25Å; V178-S181 VanDerWaalsContact O-N 3.11Å; V178-S181 PolarHBondContact O-OG 3.14Å; V178-S181 VanDerWaalsContact O-OG 3.07Å; V178-H182 PolarHBondContact O-N 3.06Å; V178-H182 VanDerWaalsContact O-N 3.11Å
179I92.1Very high77.4Confident1 Ų161.4 Ų61.41%0.00534%0.341CS..Hα-helixtrans-62.1-35.4178.6-65.4164.4000111.4R13 E69 R72 L73 L126 M130 D175R13-I179 PolarHBondContact NE-O 3.47Å; R13-I179 VanDerWaalsContact NH2-CG2 3.35Å; R13-I179 PolarHBondContact NH2-O 2.92Å; E69-I179 HydrophobicContact CB-CG1 4.13Å; E69-I179 HydrophobicContact CG-CG1 4.25Å; R72-I179 HydrophobicContact CB-CD1 4.34Å; L73-I179 HydrophobicContact CD1-CD1 4.4Å; L73-I179 HydrophobicContact CD2-CD1 3.65Å; L73-I179 HydrophobicContact CG-CD1 3.74Å; L126-I179 HydrophobicContact CD2-CG2 4.36Å; M130-I179 HydrophobicContact CE-CG2 4.42Å; M130-I179 HydrophobicContact SD-CG2 3.92Å; D175-I179 WeakPolarHBondContact O-CD1 3.4Å; D175-I179 VanDerWaalsContact O-CG1 3.23Å; D175-I179 WeakPolarHBondContact O-CG1 2.81Å; D175-I179 PolarHBondContact O-N 3.35Å
180S91.4Very high74.6Confident34 Ų3470.4 Ų70.424%0.23838%0.384CS..Hα-helixtrans-75.5-25.4177.1-178.10000113.6L176 R177 V178L176-S180 VanDerWaalsContact O-CB 3.23Å; L176-S180 WeakPolarHBondContact O-CB 3.25Å; L176-S180 PolarHBondContact O-N 3.16Å; R177-S180 PolarHBondContact O-N 3.31Å; V178-S180 VanDerWaalsContact C-N 3.27Å; V178-S180 PolarHBondContact O-N 3.02Å
181S82.8Confident71.9Confident66 Ų6672.6 Ų72.646%0.46240%0.401SS..Hα-helixtrans-94.8-29-172.1670000113.8R177 V178 Q183 M184R177-S181 VanDerWaalsContact O-CB 3.32Å; R177-S181 WeakPolarHBondContact O-CB 2.98Å; R177-S181 PolarHBondContact O-N 2.87Å; R177-S181 PolarHBondContact O-OG 3.19Å; R177-S181 VanDerWaalsContact O-OG 3.11Å; V178-S181 PolarHBondContact O-N 3.25Å; V178-S181 VanDerWaalsContact O-N 3.11Å; V178-S181 PolarHBondContact O-OG 3.14Å; V178-S181 VanDerWaalsContact O-OG 3.07Å; S181-Q183 PolarHBondContact O-N 3.06Å; S181-M184 PolarHBondContact O-N 3.41Å
182H66.8Low69.3Low123 Ų12380.2 Ų80.257%0.56944%0.437SS*.G310 helixtrans-60.1-23.2-175.2-13571.6000114E69 V178E69-H182 WeakPolarHBondContact OE1-CB 3.48Å; E69-H182 IonicContact OE1-CG 3.75Å; V178-H182 PolarHBondContact O-N 3.06Å; V178-H182 VanDerWaalsContact O-N 3.11Å
183Q60.3Low66.7Low69 Ų6992.2 Ų92.232%0.32248%0.484SS..G310 helixtrans-77-16176-75.3-171-2300114.9S181S181-Q183 PolarHBondContact O-N 3.06Å
184M51.2Low64.1Low141 Ų14195.6 Ų95.670%0.69552%0.521SS*.G310 helixtrans-78.3-22.6174.5-93.3177.2168.600112.8S181S181-M184 PolarHBondContact O-N 3.41Å
185G45.6Very low61.8Low54 Ų5496.9 Ų96.956%0.55754%0.544SS*.SBendtrans-76.7-17.8-17500000115.4
186I47.7Very low59.1Low132 Ų132107.1 Ų107.168%0.67759%0.588SS**THydrogen-bonded Turntrans-84.3-19.7-173.8-57.7176.3000112A188I186-A188 PolarHBondContact O-N 3.13Å
187S42.7Very low56.5Low99 Ų99113.6 Ų113.669%0.69262%0.623SS**THydrogen-bonded Turntrans-81.9-11.1-177.2-179.80000115
188A42.1Very low54Low83 Ų83115.7 Ų115.769%0.68664%0.636SS**SBendtrans-101.9-15-168.600000115.2I186I186-A188 PolarHBondContact O-N 3.13Å
189H39.8Very low51.5Low175 Ų175123.6 Ų123.681%0.8167%0.67SS**SBendtrans-107.9-2.3-165.3-145.1-54.3000116
190E39.3Very low48.9Very low189 Ų189136.1 Ų136.188%0.88373%0.732SS**SBendtrans-105.613.7-174.3-112.4-178.2-178.900115.9
191S39.7Very low46.8Very low97 Ų97141.2 Ų141.268%0.67876%0.756SS**SBendtrans-108.513.6-17658.50000116.2
192H42.2Very low44.9Very low169 Ų169145.2 Ų145.278%0.78277%0.772SS**SBendtrans-134.849.8-176.7-89.5-59.1000115.4
193Y42.8Very low43.7Very low251 Ų251146.4 Ų146.498%0.98478%0.783SS**SBendtrans-15790.2153.7-93.3-72.2000110.2
194G44.8Very low42.7Very low83 Ų83150.9 Ų150.986%0.85681%0.81SS**  trans177.239.7178.400000115.5
195A46.7Very low42.2Very low94 Ų94151.6 Ų151.678%0.77782%0.818SS**  trans-159.389.9165.100000110.7
196K39Very low42Very low216 Ų216158.1 Ų158.194%0.93984%0.835SS**  trans-167.787.9141.7-106.4174.9-171.6-175.20107.9
197D41.4Very low41.5Very low138 Ų138159.9 Ų159.974%0.73885%0.846SS**  trans-131128.6155.4-146.317.4000108.8
198K42.7Very low41.5Very low181 Ų181164.6 Ų164.679%0.78786%0.858SS**  trans65.1113.9160.2-66.2170-174.71700119.8
199Q39.8Very low41.4Very low201 Ų201171.4 Ų171.494%0.93987%0.872SS**  -136.5132.1128.9-135.9169.53.800110.4
200M38.6Very low41.5Very low263 Ų263171.1 Ų171.1100%1.29688%0.878SS**  trans-58.20169.9-76161.2125.600112.1

Retrieved 200 of 200 residues in 137.3 ms (Link to these results)

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