A0A087XS89_POEFO Loading...

Abl-interactor 1a

AlphaFold DB , UniProt , Accession A0A087XS89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 494 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
1E58.3Low78.2Confident191 Ų191119.1 Ų119.189%0.89358%0.578SS**  0-105.40-59.3-165.7-168.700115.1R3 E4 R5E1-R3 PolarHBondContact O-N 3.35Å; E1-E4 PolarHBondContact N-OE2 2.75Å; E1-E4 WeakPolarHBondContact O-CA 3.37Å; E1-E4 WeakPolarHBondContact O-CB 3.42Å; E1-E4 PolarHBondContact O-N 2.91Å; E1-R5 PolarHBondContact O-N 3.45Å
2G67.1Low79.5Confident63 Ų63113.8 Ų113.865%0.64955%0.552SS**Hα-helixtrans-53.2-59.3-16600000115.6E4 R5 E6G2-E4 PolarHBondContact O-N 2.72Å; G2-E4 VanDerWaalsContact O-N 3.09Å; G2-R5 PolarHBondContact O-N 2.89Å; G2-E6 PolarHBondContact O-N 3.25Å; G2-E6 VanDerWaalsContact O-N 3.12Å
3R70.4Confident80.6Confident204 Ų204106.5 Ų106.577%0.7752%0.517SS*.Hα-helixtrans-60.3-17.7175.6-170-175-65.4151.7-0.2113.8E1 R7E1-R3 PolarHBondContact O-N 3.35Å; R3-R7 WeakPolarHBondContact O-CG 3.24Å; R3-R7 PolarHBondContact O-N 2.76Å
4E73.8Confident81.6Confident106 Ų106106.3 Ų106.350%0.49551%0.514SS..Hα-helixtrans-90.2-46-176.2-170.7164.1-129.600110.6E1 G2 E6 R7 C8E1-E4 PolarHBondContact N-OE2 2.75Å; E1-E4 WeakPolarHBondContact O-CA 3.37Å; E1-E4 WeakPolarHBondContact O-CB 3.42Å; E1-E4 PolarHBondContact O-N 2.91Å; G2-E4 PolarHBondContact O-N 2.72Å; G2-E4 VanDerWaalsContact O-N 3.09Å; E4-E6 PolarHBondContact O-N 3.33Å; E4-R7 PolarHBondContact O-N 3.41Å; E4-C8 PolarHBondContact O-N 2.92Å; E4-C8 PolarHBondContact O-SG 3.01Å; E4-C8 VanDerWaalsContact O-SG 3.34Å
5R77.9Confident82.6Confident195 Ų195104.5 Ų104.574%0.73651%0.506SS*.Hα-helixtrans-55.5-36.2167-171.9178.9-67.6-146.11111.5E1 G2 C8 K9E1-R5 PolarHBondContact O-N 3.45Å; G2-R5 PolarHBondContact O-N 2.89Å; R5-C8 PolarHBondContact O-N 2.85Å; R5-K9 PolarHBondContact O-N 3.35Å
6E76.8Confident83.5Confident78 Ų7898 Ų9836%0.36448%0.475SS..Hα-helixtrans-68.1-39.8174.1-178.2154.1-122.300113.5G2 E4 C8 K9 M10 R94G2-E6 PolarHBondContact O-N 3.25Å; G2-E6 VanDerWaalsContact O-N 3.12Å; E4-E6 PolarHBondContact O-N 3.33Å; E6-C8 VanDerWaalsContact C-N 3.34Å; E6-K9 PolarHBondContact O-N 3.36Å; E6-M10 WeakPolarHBondContact O-CG 3.37Å; E6-M10 PolarHBondContact O-N 2.81Å; E6-R94 IonicContact OE1-CZ 2.61Å; E6-R94 IonicContact OE1-NE 2.63Å; E6-R94 PolarHBondContact OE1-NE 3.35Å; E6-R94 IonicContact OE1-NH2 2.62Å; E6-R94 PolarHBondContact OE1-NH2 2.98Å
7R82Confident84.2Confident162 Ų16296.5 Ų96.561%0.61147%0.469SS*.Hα-helixtrans-65.1-37.6172.7-75-173.8-60.8-165.25.4112.1R3 E4 M10 A11R3-R7 WeakPolarHBondContact O-CG 3.24Å; R3-R7 PolarHBondContact O-N 2.76Å; E4-R7 PolarHBondContact O-N 3.41Å; R7-M10 PolarHBondContact O-N 3.23Å; R7-A11 PolarHBondContact O-N 3.26Å
8C83.6Confident84.9Confident80 Ų8096.8 Ų96.854%0.54147%0.473SS..Hα-helixtrans-59.3-49.2171.3-61.60000111.1E4 R5 E6 M10 A11 E12E4-C8 PolarHBondContact O-N 2.92Å; E4-C8 PolarHBondContact O-SG 3.01Å; E4-C8 VanDerWaalsContact O-SG 3.34Å; R5-C8 PolarHBondContact O-N 2.85Å; E6-C8 VanDerWaalsContact C-N 3.34Å; C8-M10 VanDerWaalsContact C-N 3.27Å; C8-M10 PolarHBondContact O-N 2.88Å; C8-A11 PolarHBondContact O-N 3.16Å; C8-A11 VanDerWaalsContact O-N 3.14Å; C8-E12 VanDerWaalsContact O-CB 3.3Å; C8-E12 WeakPolarHBondContact O-CB 3.32Å; C8-E12 PolarHBondContact O-N 3.47Å
9K87.3Confident85.4Confident77 Ų7798.6 Ų98.634%0.33548%0.481SS..Hα-helixtrans-63.2-27.8177.3-73.6-157.5167.4-143.20114.6R5 E6 L13R5-K9 PolarHBondContact O-N 3.35Å; E6-K9 PolarHBondContact O-N 3.36Å; K9-L13 WeakPolarHBondContact O-CB 3.26Å; K9-L13 PolarHBondContact O-N 3Å; K9-L13 VanDerWaalsContact O-N 3.11Å
10M90.3Very high86Confident92 Ų9297.1 Ų97.145%0.45347%0.473SS..Hα-helixtrans-73.8-40.6172.6-74.2-68.6-175.500112E6 R7 C8 L13 Q14 Q91E6-M10 WeakPolarHBondContact O-CG 3.37Å; E6-M10 PolarHBondContact O-N 2.81Å; R7-M10 PolarHBondContact O-N 3.23Å; C8-M10 VanDerWaalsContact C-N 3.27Å; C8-M10 PolarHBondContact O-N 2.88Å; M10-L13 PolarHBondContact O-N 2.67Å; M10-Q14 PolarHBondContact O-N 2.91Å; M10-Q91 HydrophobicContact CE-CG 4.33Å; M10-Q91 PolarHBondContact SD-NE2 2.83Å
11A92.7Very high86.5Confident62 Ų6294 Ų9451%0.51246%0.458SS..Hα-helixtrans-66.8-40.1174.200000112.1R7 C8 Q14 M15R7-A11 PolarHBondContact O-N 3.26Å; C8-A11 PolarHBondContact O-N 3.16Å; C8-A11 VanDerWaalsContact O-N 3.14Å; A11-Q14 PolarHBondContact O-N 3.3Å; A11-M15 WeakPolarHBondContact O-CB 3.22Å; A11-M15 PolarHBondContact O-N 2.98Å
12E93.7Very high88.4Confident56 Ų5687 Ų8726%0.26243%0.429SS..Hα-helixtrans-57.3-47.3172.5-172.5-176.1179.100111.3C8 Q14 M15 L16 Q83 I87C8-E12 VanDerWaalsContact O-CB 3.3Å; C8-E12 WeakPolarHBondContact O-CB 3.32Å; C8-E12 PolarHBondContact O-N 3.47Å; E12-Q14 PolarHBondContact O-N 3.42Å; E12-M15 PolarHBondContact O-N 3.05Å; E12-L16 HydrophobicContact CG-CD1 4.43Å; E12-L16 WeakPolarHBondContact O-CB 3.36Å; E12-L16 WeakPolarHBondContact O-CD1 3.23Å; E12-L16 WeakPolarHBondContact O-CG 3.33Å; E12-L16 PolarHBondContact O-N 2.81Å; E12-Q83 PolarHBondContact OE1-NE2 2.81Å; E12-I87 HydrophobicContact CB-CD1 4.3Å; E12-I87 HydrophobicContact CG-CD1 3.7Å
13L94.6Very high89.8Confident18 Ų1885.8 Ų85.89%0.09441%0.413CS..Hα-helixtrans-61.6-42174.4-171.773.4000112.4K9 M10 L16 L17 L84 I87 Q88K9-L13 WeakPolarHBondContact O-CB 3.26Å; K9-L13 PolarHBondContact O-N 3Å; K9-L13 VanDerWaalsContact O-N 3.11Å; M10-L13 PolarHBondContact O-N 2.67Å; L13-L16 PolarHBondContact O-N 3.47Å; L13-L17 HydrophobicContact CD2-CD1 4.5Å; L13-L17 HydrophobicContact CG-CD1 4.08Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.15Å; L13-L84 HydrophobicContact CD1-CD1 3.51Å; L13-L84 HydrophobicContact CD1-CG 4.15Å; L13-L84 HydrophobicContact CG-CD1 4.45Å; L13-I87 HydrophobicContact CB-CG2 4.05Å; L13-I87 HydrophobicContact CD1-CB 4.13Å; L13-I87 HydrophobicContact CD1-CG2 3.96Å; L13-I87 HydrophobicContact CG-CG2 4.42Å; L13-Q88 HydrophobicContact CD1-CG 4.02Å
14Q94.6Very high91.1Very high104 Ų10477 Ų7749%0.48639%0.386SS..Hα-helixtrans-65.1-44.6179.8-161.770.938.500111.4M10 A11 E12 L16 L17 D18M10-Q14 PolarHBondContact O-N 2.91Å; A11-Q14 PolarHBondContact O-N 3.3Å; E12-Q14 PolarHBondContact O-N 3.42Å; Q14-L16 PolarHBondContact O-N 3.38Å; Q14-L17 PolarHBondContact O-N 2.79Å; Q14-D18 PolarHBondContact NE2-OD1 2.9Å; Q14-D18 PolarHBondContact NE2-OD2 3.49Å; Q14-D18 WeakPolarHBondContact O-CB 3.36Å; Q14-D18 PolarHBondContact O-N 2.74Å
15M95.9Very high92.2Very high80 Ų8078.7 Ų78.739%0.39439%0.392SS..Hα-helixtrans-60.3-42.8176.6-174.3-177.377.300111.8A11 E12 E19 E20A11-M15 WeakPolarHBondContact O-CB 3.22Å; A11-M15 PolarHBondContact O-N 2.98Å; E12-M15 PolarHBondContact O-N 3.05Å; M15-E19 WeakPolarHBondContact O-CB 3.14Å; M15-E19 PolarHBondContact O-N 2.95Å; M15-E19 VanDerWaalsContact O-N 3.09Å; M15-E20 HydrophobicContact CG-CG 4.2Å; M15-E20 PolarHBondContact O-N 3.3Å
16L96.5Very high93.1Very high0 Ų077 Ų770%039%0.386CS..Iπ-helixtrans-62.1-44174.5-75.4163.4000112.4E12 L13 Q14 E20 I21 N80 Q83 L84 I87E12-L16 HydrophobicContact CG-CD1 4.43Å; E12-L16 WeakPolarHBondContact O-CB 3.36Å; E12-L16 WeakPolarHBondContact O-CD1 3.23Å; E12-L16 WeakPolarHBondContact O-CG 3.33Å; E12-L16 PolarHBondContact O-N 2.81Å; L13-L16 PolarHBondContact O-N 3.47Å; Q14-L16 PolarHBondContact O-N 3.38Å; L16-E20 VanDerWaalsContact CD2-OE2 3.26Å; L16-E20 WeakPolarHBondContact CD2-OE2 3.14Å; L16-I21 HydrophobicContact CB-CD1 4.29Å; L16-I21 VanDerWaalsContact O-CB 3.23Å; L16-I21 WeakPolarHBondContact O-CB 3.4Å; L16-I21 VanDerWaalsContact O-CG1 3.27Å; L16-I21 WeakPolarHBondContact O-CG1 3.42Å; L16-I21 PolarHBondContact O-N 2.77Å; L16-N80 HydrophobicContact CD2-CB 3.66Å; L16-Q83 HydrophobicContact CD1-CB 4.29Å; L16-Q83 HydrophobicContact CD1-CG 3.93Å; L16-L84 HydrophobicContact CB-CD1 3.8Å; L16-L84 HydrophobicContact CD1-CB 4.5Å; L16-I87 HydrophobicContact CD1-CD1 3.78Å
17L95.9Very high94.1Very high73 Ų7375 Ų7538%0.38238%0.383SS..Iπ-helixtrans-72.8-46.6-177.3-74.6172.8000114L13 Q14 P22 L84L13-L17 HydrophobicContact CD2-CD1 4.5Å; L13-L17 HydrophobicContact CG-CD1 4.08Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.15Å; Q14-L17 PolarHBondContact O-N 2.79Å; L17-P22 VanDerWaalsContact O-CD 3.25Å; L17-P22 WeakPolarHBondContact O-CD 3.46Å; L17-P22 WeakPolarHBondContact O-CG 3.5Å; L17-L84 HydrophobicContact CD2-CD1 3.55Å; L17-L84 HydrophobicContact CD2-CD2 4.08Å; L17-L84 HydrophobicContact CD2-CG 4.41Å; L17-L84 HydrophobicContact CG-CD1 3.62Å
18D96.1Very high94.8Very high101 Ų10170.1 Ų70.154%0.5437%0.368SS..Iπ-helixtrans-89.9-35.5-170.1-69-9.1000112.5Q14Q14-D18 PolarHBondContact NE2-OD1 2.9Å; Q14-D18 PolarHBondContact NE2-OD2 3.49Å; Q14-D18 WeakPolarHBondContact O-CB 3.36Å; Q14-D18 PolarHBondContact O-N 2.74Å
19E95.6Very high95.4Very high132 Ų13270 Ų7062%0.61737%0.365SS*.Iπ-helixtrans-111.5-63.9-170.9-60.5-167.9175.300112.4M15 A23M15-E19 WeakPolarHBondContact O-CB 3.14Å; M15-E19 PolarHBondContact O-N 2.95Å; M15-E19 VanDerWaalsContact O-N 3.09Å; E19-A23 WeakPolarHBondContact O-CB 3.35Å; E19-A23 PolarHBondContact O-N 3.22Å
20E96.6Very high95.8Very high68 Ų6871.7 Ų71.732%0.31837%0.374SS..Iπ-helixtrans-73.6-50.3-163.8-62.6-169.6144.200114.3M15 L16 A23 G24 N80M15-E20 HydrophobicContact CG-CG 4.2Å; M15-E20 PolarHBondContact O-N 3.3Å; L16-E20 VanDerWaalsContact CD2-OE2 3.26Å; L16-E20 WeakPolarHBondContact CD2-OE2 3.14Å; E20-A23 PolarHBondContact O-N 3Å; E20-G24 PolarHBondContact O-N 3.11Å; E20-N80 PolarHBondContact OE2-ND2 3.33Å
21I97.5Very high96.2Very high31 Ų3167.6 Ų67.616%0.15935%0.354CS..Hα-helixtrans-65.8-42.2178.9-64170.3000110.5L16 A23 K25 L77 N80 V81 L84L16-I21 HydrophobicContact CB-CD1 4.29Å; L16-I21 VanDerWaalsContact O-CB 3.23Å; L16-I21 WeakPolarHBondContact O-CB 3.4Å; L16-I21 VanDerWaalsContact O-CG1 3.27Å; L16-I21 WeakPolarHBondContact O-CG1 3.42Å; L16-I21 PolarHBondContact O-N 2.77Å; I21-A23 VanDerWaalsContact C-N 3.35Å; I21-A23 PolarHBondContact O-N 3.46Å; I21-K25 VanDerWaalsContact O-CB 3.27Å; I21-K25 WeakPolarHBondContact O-CB 3.41Å; I21-K25 PolarHBondContact O-N 3.49Å; I21-L77 HydrophobicContact CB-CD1 4.34Å; I21-L77 HydrophobicContact CG2-CD1 3.93Å; I21-N80 HydrophobicContact CG1-CB 3.97Å; I21-V81 HydrophobicContact CD1-CG2 4.02Å; I21-V81 HydrophobicContact CG1-CG2 4.3Å; I21-V81 HydrophobicContact CG2-CG2 4.21Å; I21-L84 HydrophobicContact CD1-CB 4.01Å; I21-L84 HydrophobicContact CD1-CD1 4.13Å; I21-L84 HydrophobicContact CD1-CD2 3.94Å; I21-L84 HydrophobicContact CD1-CG 4.25Å
22P98Very high96.3Very high45 Ų4572.8 Ų72.829%0.29236%0.362SS..Hα-helixtrans-61.9-35.1169.7-26.937.9000114.2L17 R26L17-P22 VanDerWaalsContact O-CD 3.25Å; L17-P22 WeakPolarHBondContact O-CD 3.46Å; L17-P22 WeakPolarHBondContact O-CG 3.5Å; P22-R26 WeakPolarHBondContact O-CB 3.47Å; P22-R26 VanDerWaalsContact O-CG 3.3Å; P22-R26 WeakPolarHBondContact O-CG 3.29Å; P22-R26 PolarHBondContact O-N 3.13Å; P22-R26 PolarHBondContact O-NE 2.88Å
23A96.7Very high96.5Very high37 Ų3775.1 Ų75.131%0.30637%0.373SS..Hα-helixtrans-70.1-48.6176.300000112.2E19 E20 I21 K25 R26 A27E19-A23 WeakPolarHBondContact O-CB 3.35Å; E19-A23 PolarHBondContact O-N 3.22Å; E20-A23 PolarHBondContact O-N 3Å; I21-A23 VanDerWaalsContact C-N 3.35Å; I21-A23 PolarHBondContact O-N 3.46Å; A23-K25 VanDerWaalsContact C-N 3.31Å; A23-K25 PolarHBondContact O-N 3.26Å; A23-R26 PolarHBondContact O-N 2.92Å; A23-R26 VanDerWaalsContact O-N 3.13Å; A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 3.03Å
24G96.9Very high96.6Very high21 Ų2176.6 Ų76.622%0.21638%0.381CS..Hα-helixtrans-59.6-41.8175.600000111.9E20 A27 L28E20-G24 PolarHBondContact O-N 3.11Å; G24-A27 PolarHBondContact O-N 3.11Å; G24-L28 WeakPolarHBondContact O-CB 3.24Å; G24-L28 PolarHBondContact O-N 2.92Å
25K97.6Very high96.7Very high141 Ų14174.1 Ų74.161%0.61337%0.371SS*.Hα-helixtrans-62.6-42.1173.1-175176.3179.91780112.6I21 A23 L28 V29I21-K25 VanDerWaalsContact O-CB 3.27Å; I21-K25 WeakPolarHBondContact O-CB 3.41Å; I21-K25 PolarHBondContact O-N 3.49Å; A23-K25 VanDerWaalsContact C-N 3.31Å; A23-K25 PolarHBondContact O-N 3.26Å; K25-L28 PolarHBondContact O-N 3.14Å; K25-V29 WeakPolarHBondContact O-CG2 3.47Å; K25-V29 PolarHBondContact O-N 3.33Å; K25-V29 VanDerWaalsContact O-N 3.14Å
26R97.2Very high96.8Very high160 Ų16073.4 Ų73.460%0.60437%0.371SS*.Hα-helixtrans-63.8-45.3174.7-80.6179.5-71.9116.5-8.7111.7P22 A23 L28 V29 E30P22-R26 WeakPolarHBondContact O-CB 3.47Å; P22-R26 VanDerWaalsContact O-CG 3.3Å; P22-R26 WeakPolarHBondContact O-CG 3.29Å; P22-R26 PolarHBondContact O-N 3.13Å; P22-R26 PolarHBondContact O-NE 2.88Å; A23-R26 PolarHBondContact O-N 2.92Å; A23-R26 VanDerWaalsContact O-N 3.13Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 3.27Å; R26-V29 PolarHBondContact O-N 3.16Å; R26-E30 PolarHBondContact O-N 3.07Å
27A96.2Very high96.8Very high36 Ų3679.9 Ų79.930%0.29840%0.395SS..Hα-helixtrans-60-39.317700000111.8A23 G24 E30 S31A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 3.03Å; G24-A27 PolarHBondContact O-N 3.11Å; A27-E30 PolarHBondContact O-N 2.61Å; A27-S31 WeakPolarHBondContact O-CB 3.23Å; A27-S31 PolarHBondContact O-N 3.42Å
28L96.5Very high96.9Very high59 Ų5978.2 Ų78.231%0.30939%0.388SS..Hα-helixtrans-66.9-37.9176.5-157.174.6000112.5G24 K25 R26 S31 Y32 Q73 I74 L77G24-L28 WeakPolarHBondContact O-CB 3.24Å; G24-L28 PolarHBondContact O-N 2.92Å; K25-L28 PolarHBondContact O-N 3.14Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 3.27Å; L28-S31 WeakPolarHBondContact O-CB 3.15Å; L28-S31 PolarHBondContact O-N 2.63Å; L28-Y32 PolarHBondContact O-N 3.47Å; L28-Y32 VanDerWaalsContact O-N 3.1Å; L28-Q73 HydrophobicContact CD1-CB 3.76Å; L28-I74 HydrophobicContact CD1-CG1 3.82Å; L28-L77 HydrophobicContact CD2-CD2 4.43Å
29V97.3Very high97Very high78 Ų7876.3 Ų76.347%0.47339%0.386SS..Hα-helixtrans-69.7-38174.1171.80000111.9K25 R26 Q33K25-V29 WeakPolarHBondContact O-CG2 3.47Å; K25-V29 PolarHBondContact O-N 3.33Å; K25-V29 VanDerWaalsContact O-N 3.14Å; R26-V29 PolarHBondContact O-N 3.16Å; V29-Q33 PolarHBondContact O-N 3.4Å
30E96.4Very high97.1Very high111 Ų11173.8 Ų73.852%0.51938%0.377SS..Hα-helixtrans-67.5-40.9173.7-159.9-155.6125.600111.2R26 A27 Y32 Q33 N34R26-E30 PolarHBondContact O-N 3.07Å; A27-E30 PolarHBondContact O-N 2.61Å; E30-Y32 PolarHBondContact O-N 2.89Å; E30-Q33 PolarHBondContact O-N 3.28Å; E30-Q33 VanDerWaalsContact O-N 3.09Å; E30-N34 WeakPolarHBondContact O-CB 3.47Å; E30-N34 PolarHBondContact O-N 3.01Å; E30-N34 PolarHBondContact O-ND2 3.21Å; E30-N34 PolarHBondContact OE1-ND2 3Å
31S96.8Very high97.1Very high7 Ų775.5 Ų75.55%0.04938%0.381CS..Hα-helixtrans-55.4-47.8174.7-163.40000111.2A27 L28 Q33 N34 L35 Q73A27-S31 WeakPolarHBondContact O-CB 3.23Å; A27-S31 PolarHBondContact O-N 3.42Å; L28-S31 WeakPolarHBondContact O-CB 3.15Å; L28-S31 PolarHBondContact O-N 2.63Å; S31-Q33 PolarHBondContact O-N 3.43Å; S31-N34 PolarHBondContact O-N 2.92Å; S31-L35 WeakPolarHBondContact O-CB 3.45Å; S31-L35 WeakPolarHBondContact O-CG 3.28Å; S31-L35 PolarHBondContact O-N 2.86Å; S31-Q73 PolarHBondContact OG-OE1 3.05Å
32Y96Very high97.1Very high170 Ų17074.6 Ų74.667%0.66738%0.377SS*.Hα-helixtrans-51.7-49.5172.2168.6-99.5000112.7L28 E30 L35 T36L28-Y32 PolarHBondContact O-N 3.47Å; L28-Y32 VanDerWaalsContact O-N 3.1Å; E30-Y32 PolarHBondContact O-N 2.89Å; Y32-L35 PolarHBondContact O-N 3.27Å; Y32-T36 PolarHBondContact O-N 3.39Å; Y32-T36 VanDerWaalsContact O-N 3.13Å; Y32-T36 PolarHBondContact O-OG1 3.45Å; Y32-T36 VanDerWaalsContact O-OG1 3.11Å
33Q96.8Very high97.1Very high105 Ų10578.9 Ų78.949%0.49139%0.393SS..Hα-helixtrans-69.1-34.5179.5-62.1179.813.200113.5V29 E30 S31 R37V29-Q33 PolarHBondContact O-N 3.4Å; E30-Q33 PolarHBondContact O-N 3.28Å; E30-Q33 VanDerWaalsContact O-N 3.09Å; S31-Q33 PolarHBondContact O-N 3.43Å; Q33-R37 PolarHBondContact O-N 2.87Å; Q33-R37 PolarHBondContact O-NE 3.46Å
34N96.6Very high97.1Very high50 Ų5081 Ų8127%0.26740%0.4SS..Hα-helixtrans-67.4-42.5175.3-76.3-34.9000110.5E30 S31 R37 V38E30-N34 WeakPolarHBondContact O-CB 3.47Å; E30-N34 PolarHBondContact O-N 3.01Å; E30-N34 PolarHBondContact O-ND2 3.21Å; E30-N34 PolarHBondContact OE1-ND2 3Å; S31-N34 PolarHBondContact O-N 2.92Å; N34-R37 PolarHBondContact O-N 3.43Å; N34-R37 VanDerWaalsContact OD1-CZ 3.28Å; N34-R37 PolarHBondContact OD1-NH1 2.74Å; N34-R37 PolarHBondContact OD1-NH2 2.98Å; N34-V38 WeakPolarHBondContact O-CG2 3.23Å; N34-V38 PolarHBondContact O-N 3.39Å
35L97.3Very high97.1Very high52 Ų5281.6 Ų81.627%0.27240%0.398SS..Hα-helixtrans-68.4-36.7-179.1-69.6172.4000113.1S31 Y32 V38 A39 S66 V70S31-L35 WeakPolarHBondContact O-CB 3.45Å; S31-L35 WeakPolarHBondContact O-CG 3.28Å; S31-L35 PolarHBondContact O-N 2.86Å; Y32-L35 PolarHBondContact O-N 3.27Å; L35-V38 PolarHBondContact O-N 2.78Å; L35-A39 PolarHBondContact O-N 2.82Å; L35-S66 WeakPolarHBondContact CD2-OG 3.46Å; L35-V70 HydrophobicContact CD1-CG2 3.47Å; L35-V70 VanDerWaalsContact CD1-CG2 3.47Å
36T97.7Very high97.1Very high65 Ų6579.7 Ų79.740%0.39939%0.388SS..Hα-helixtrans-55.9-51.5169.6-50.20000110.5Y32 V38 A39 D40Y32-T36 PolarHBondContact O-N 3.39Å; Y32-T36 VanDerWaalsContact O-N 3.13Å; Y32-T36 PolarHBondContact O-OG1 3.45Å; Y32-T36 VanDerWaalsContact O-OG1 3.11Å; T36-V38 VanDerWaalsContact C-N 3.31Å; T36-V38 PolarHBondContact O-N 3.09Å; T36-A39 WeakPolarHBondContact O-CB 3.47Å; T36-A39 PolarHBondContact O-N 3.34Å; T36-A39 VanDerWaalsContact O-N 3.14Å; T36-D40 VanDerWaalsContact O-CG 3.22Å; T36-D40 PolarHBondContact O-N 3.43Å
37R97.4Very high97Very high136 Ų13676.7 Ų76.751%0.51339%0.387SS..Hα-helixtrans-63.6-31.6178.2-76.6-176.7-85.9105.1-4.4113.8Q33 N34 Y41Q33-R37 PolarHBondContact O-N 2.87Å; Q33-R37 PolarHBondContact O-NE 3.46Å; N34-R37 PolarHBondContact O-N 3.43Å; N34-R37 VanDerWaalsContact OD1-CZ 3.28Å; N34-R37 PolarHBondContact OD1-NH1 2.74Å; N34-R37 PolarHBondContact OD1-NH2 2.98Å; R37-Y41 VanDerWaalsContact O-CB 3.24Å; R37-Y41 WeakPolarHBondContact O-CB 3.06Å; R37-Y41 PolarHBondContact O-N 2.82Å
38V97.6Very high97Very high38 Ų3881.9 Ų81.923%0.2341%0.405CS..Hα-helixtrans-70.4-39.4174.1168.90000111.1N34 L35 T36 Y41 C42 Y62N34-V38 WeakPolarHBondContact O-CG2 3.23Å; N34-V38 PolarHBondContact O-N 3.39Å; L35-V38 PolarHBondContact O-N 2.78Å; T36-V38 VanDerWaalsContact C-N 3.31Å; T36-V38 PolarHBondContact O-N 3.09Å; V38-Y41 PolarHBondContact O-N 3.18Å; V38-C42 WeakPolarHBondContact O-CB 3.41Å; V38-C42 PolarHBondContact O-N 2.94Å; V38-C42 PolarHBondContact O-SG 3.1Å; V38-Y62 HydrophobicContact CG1-CD1 3.95Å; V38-Y62 HydrophobicContact CG1-CG 4.05Å
39A97.6Very high97Very high60 Ų6080.2 Ų80.250%0.49640%0.4SS..Hα-helixtrans-64.2-49.9174.500000111.2L35 T36 Y41 C42 E43L35-A39 PolarHBondContact O-N 2.82Å; T36-A39 WeakPolarHBondContact O-CB 3.47Å; T36-A39 PolarHBondContact O-N 3.34Å; T36-A39 VanDerWaalsContact O-N 3.14Å; A39-Y41 VanDerWaalsContact C-N 3.26Å; A39-Y41 PolarHBondContact O-N 2.82Å; A39-C42 PolarHBondContact O-N 3.31Å; A39-C42 VanDerWaalsContact O-N 3.15Å; A39-E43 PolarHBondContact O-N 3.43Å
40D97.8Very high96.8Very high80 Ų8086.2 Ų86.243%0.42842%0.423SS..Hα-helixtrans-54.3-44174.8-61.4-31.3000111.2T36 N44T36-D40 VanDerWaalsContact O-CG 3.22Å; T36-D40 PolarHBondContact O-N 3.43Å; D40-N44 WeakPolarHBondContact O-CB 3.43Å; D40-N44 PolarHBondContact O-N 3.48Å; D40-N44 PolarHBondContact O-ND2 3.5Å
41Y97.8Very high96.8Very high104 Ų10485.2 Ų85.241%0.40842%0.421SS..Hα-helixtrans-64.6-46.8177.3171.3-101.7000112.3R37 V38 A39 E43 N44 N45 Y62R37-Y41 VanDerWaalsContact O-CB 3.24Å; R37-Y41 WeakPolarHBondContact O-CB 3.06Å; R37-Y41 PolarHBondContact O-N 2.82Å; V38-Y41 PolarHBondContact O-N 3.18Å; A39-Y41 VanDerWaalsContact C-N 3.26Å; A39-Y41 PolarHBondContact O-N 2.82Å; Y41-E43 PolarHBondContact O-N 2.83Å; Y41-N44 PolarHBondContact O-N 3.22Å; Y41-N45 HydrophobicContact CE1-CB 4.4Å; Y41-N45 HydrophobicContact CE2-CB 4.28Å; Y41-N45 WeakPolarHBondContact O-CB 3.44Å; Y41-N45 PolarHBondContact O-N 3.34Å; Y41-Y62 HydrophobicContact CD1-CE2 4.28Å; Y41-Y62 HydrophobicContact CE1-CD2 4.44Å; Y41-Y62 AromaticContact CE1-CE2 3.79Å; Y41-Y62 HydrophobicContact CE1-CE2 3.79Å
42C97.4Very high96.7Very high11 Ų1188.7 Ų88.77%0.07444%0.435CS..Hα-helixtrans-63-42.1-179.2-69.10000111.8V38 A39 Y46 T59V38-C42 WeakPolarHBondContact O-CB 3.41Å; V38-C42 PolarHBondContact O-N 2.94Å; V38-C42 PolarHBondContact O-SG 3.1Å; A39-C42 PolarHBondContact O-N 3.31Å; A39-C42 VanDerWaalsContact O-N 3.15Å; C42-Y46 VanDerWaalsContact O-CB 3.26Å; C42-Y46 WeakPolarHBondContact O-CB 3.43Å; C42-Y46 PolarHBondContact O-N 3.09Å; C42-T59 HydrophobicContact CB-CG2 3.8Å
43E96.9Very high96.7Very high135 Ų13590.5 Ų90.563%0.63144%0.441SS*.Hα-helixtrans-62.7-51174.9-176174.2-172.600111.3A39 Y41 N45 Y46 V47A39-E43 PolarHBondContact O-N 3.43Å; Y41-E43 PolarHBondContact O-N 2.83Å; E43-N45 PolarHBondContact O-N 2.86Å; E43-Y46 PolarHBondContact O-N 3.04Å; E43-V47 WeakPolarHBondContact O-CG2 3.16Å; E43-V47 PolarHBondContact O-N 2.73Å
44N97.3Very high96.7Very high82 Ų8292.3 Ų92.344%0.43945%0.447SS..Hα-helixtrans-63.2-42.4-179.5-82.7-81.4000112.6D40 Y41 V47 Q48D40-N44 WeakPolarHBondContact O-CB 3.43Å; D40-N44 PolarHBondContact O-N 3.48Å; D40-N44 PolarHBondContact O-ND2 3.5Å; Y41-N44 PolarHBondContact O-N 3.22Å; N44-V47 PolarHBondContact O-N 3Å; N44-Q48 WeakPolarHBondContact O-CB 3.42Å; N44-Q48 VanDerWaalsContact O-CG 3.22Å; N44-Q48 WeakPolarHBondContact O-CG 3.37Å; N44-Q48 PolarHBondContact O-N 3.02Å
45N96.9Very high96.7Very high34 Ų3490 Ų9018%0.18244%0.435CS..Hα-helixtrans-61.2-46.5174.7-175.729.1000110.6Y41 E43 V47 Q48 A49 E58Y41-N45 HydrophobicContact CE1-CB 4.4Å; Y41-N45 HydrophobicContact CE2-CB 4.28Å; Y41-N45 WeakPolarHBondContact O-CB 3.44Å; Y41-N45 PolarHBondContact O-N 3.34Å; E43-N45 PolarHBondContact O-N 2.86Å; N45-V47 PolarHBondContact O-N 3.45Å; N45-Q48 PolarHBondContact O-N 2.84Å; N45-A49 WeakPolarHBondContact O-CB 3.34Å; N45-A49 PolarHBondContact O-N 2.87Å; N45-E58 PolarHBondContact ND2-OE2 2.93Å
46Y97.1Very high96.6Very high100 Ų10091.3 Ų91.339%0.39244%0.442SS..Hα-helixtrans-62.4-39.1176.9-172.6-93.9000112.7C42 E43 K52 A55 L56C42-Y46 VanDerWaalsContact O-CB 3.26Å; C42-Y46 WeakPolarHBondContact O-CB 3.43Å; C42-Y46 PolarHBondContact O-N 3.09Å; E43-Y46 PolarHBondContact O-N 3.04Å; Y46-K52 HydrophobicContact CE1-CD 4.42Å; Y46-K52 HydrophobicContact CE2-CB 3.86Å; Y46-K52 HydrophobicContact CE2-CD 4.4Å; Y46-K52 WeakPolarHBondContact CE2-O 3.41Å; Y46-K52 VanDerWaalsContact O-CD 3.24Å; Y46-K52 WeakPolarHBondContact O-CD 3.42Å; Y46-K52 WeakPolarHBondContact O-CE 3.43Å; Y46-K52 PolarHBondContact O-NZ 2.86Å; Y46-A55 HydrophobicContact CD2-CB 4.06Å; Y46-L56 HydrophobicContact CD2-CB 4.49Å; Y46-L56 HydrophobicContact CE2-CB 4.15Å
47V96.4Very high96.6Very high98 Ų9893.2 Ų93.259%0.59445%0.446SS*.Hα-helixtrans-67.5-44175.8171.50000111.7E43 N44 N45 K52E43-V47 WeakPolarHBondContact O-CG2 3.16Å; E43-V47 PolarHBondContact O-N 2.73Å; N44-V47 PolarHBondContact O-N 3Å; N45-V47 PolarHBondContact O-N 3.45Å; V47-K52 PolarHBondContact O-NZ 2.79Å
48Q95.6Very high96.6Very high145 Ų14589.9 Ų89.968%0.67844%0.436SS*.Hα-helixtrans-83-28.4-173.3-65.2173.936.300114.2N44 N45N44-Q48 WeakPolarHBondContact O-CB 3.42Å; N44-Q48 VanDerWaalsContact O-CG 3.22Å; N44-Q48 WeakPolarHBondContact O-CG 3.37Å; N44-Q48 PolarHBondContact O-N 3.02Å; N45-Q48 PolarHBondContact O-N 2.84Å
49A95.4Very high96.6Very high24 Ų2489.5 Ų89.520%0.19843%0.434CS..  trans-64.9139.6-176.600000113.1N45 K52 A55N45-A49 WeakPolarHBondContact O-CB 3.34Å; N45-A49 PolarHBondContact O-N 2.87Å; A49-K52 WeakPolarHBondContact O-CE 3.4Å; A49-K52 PolarHBondContact O-NZ 3.09Å; A49-A55 HydrophobicContact CB-CB 3.83Å
50Q94.6Very high96.6Very high204 Ų20491.2 Ų91.295%0.95343%0.431SS*.SBendtrans-71.4-39.2171.7-71.1177.3-27.200111.9
51D95.6Very high96.6Very high90 Ų9090.2 Ų90.248%0.48143%0.433SS..  trans-95.397.8172.7-176.3-2.3000111R53 K54 A55D51-R53 PolarHBondContact O-N 3.1Å; D51-R53 WeakPolarHBondContact OD1-CA 3.3Å; D51-R53 VanDerWaalsContact OD1-CB 3.23Å; D51-R53 WeakPolarHBondContact OD1-CB 3.25Å; D51-R53 PolarHBondContact OD1-N 2.87Å; D51-K54 HydrophobicContact CB-CB 4.19Å; D51-K54 PolarHBondContact OD1-N 2.95Å; D51-K54 VanDerWaalsContact OD1-N 3.16Å; D51-K54 WeakPolarHBondContact OD2-CB 3.48Å; D51-A55 PolarHBondContact O-N 2.91Å
52K95.7Very high96.6Very high79 Ų7988.9 Ų88.934%0.34343%0.428SS..Hα-helixtrans-63.1-28174.9-55.9-51.6-175-163.10113Y46 V47 A49 L56Y46-K52 HydrophobicContact CE1-CD 4.42Å; Y46-K52 HydrophobicContact CE2-CB 3.86Å; Y46-K52 HydrophobicContact CE2-CD 4.4Å; Y46-K52 WeakPolarHBondContact CE2-O 3.41Å; Y46-K52 VanDerWaalsContact O-CD 3.24Å; Y46-K52 WeakPolarHBondContact O-CD 3.42Å; Y46-K52 WeakPolarHBondContact O-CE 3.43Å; Y46-K52 PolarHBondContact O-NZ 2.86Å; V47-K52 PolarHBondContact O-NZ 2.79Å; A49-K52 WeakPolarHBondContact O-CE 3.4Å; A49-K52 PolarHBondContact O-NZ 3.09Å; K52-L56 WeakPolarHBondContact O-CB 3.48Å; K52-L56 PolarHBondContact O-N 2.88Å
53R96Very high96.6Very high209 Ų20992.5 Ų92.579%0.78945%0.45SS*.Hα-helixtrans-73.5-41.9-176.8-154.6-178.7-61.6158.42.7110.4D51 E57D51-R53 PolarHBondContact O-N 3.1Å; D51-R53 WeakPolarHBondContact OD1-CA 3.3Å; D51-R53 VanDerWaalsContact OD1-CB 3.23Å; D51-R53 WeakPolarHBondContact OD1-CB 3.25Å; D51-R53 PolarHBondContact OD1-N 2.87Å; R53-E57 PolarHBondContact O-N 2.93Å
54K96.1Very high96.6Very high142 Ų14290.7 Ų90.762%0.61745%0.448SS*.Hα-helixtrans-63.3-48.2171.3-174-174.8175.3-167.80112.1D51 L56 E57 E58D51-K54 HydrophobicContact CB-CB 4.19Å; D51-K54 PolarHBondContact OD1-N 2.95Å; D51-K54 VanDerWaalsContact OD1-N 3.16Å; D51-K54 WeakPolarHBondContact OD2-CB 3.48Å; K54-L56 VanDerWaalsContact C-N 3.28Å; K54-L56 PolarHBondContact O-N 3.39Å; K54-E57 PolarHBondContact O-N 3.05Å; K54-E57 VanDerWaalsContact O-N 3.11Å; K54-E58 PolarHBondContact O-N 3.39Å
55A95.8Very high96.6Very high2 Ų293 Ų932%0.01746%0.456CS..Hα-helixtrans-63.8-31.9-17900000113Y46 A49 D51 T59Y46-A55 HydrophobicContact CD2-CB 4.06Å; A49-A55 HydrophobicContact CB-CB 3.83Å; D51-A55 PolarHBondContact O-N 2.91Å; A55-T59 WeakPolarHBondContact O-CB 3.36Å; A55-T59 PolarHBondContact O-N 3.14Å; A55-T59 PolarHBondContact O-OG1 2.86Å
56L96.4Very high96.7Very high79 Ų7992.5 Ų92.541%0.41446%0.456SS..Hα-helixtrans-66.2-42.1171.5-177.964.1000112.2Y46 K52 K54 T59 K60Y46-L56 HydrophobicContact CD2-CB 4.49Å; Y46-L56 HydrophobicContact CE2-CB 4.15Å; K52-L56 WeakPolarHBondContact O-CB 3.48Å; K52-L56 PolarHBondContact O-N 2.88Å; K54-L56 VanDerWaalsContact C-N 3.28Å; K54-L56 PolarHBondContact O-N 3.39Å; L56-T59 WeakPolarHBondContact O-CB 3.31Å; L56-T59 PolarHBondContact O-N 3.2Å; L56-K60 WeakPolarHBondContact O-CG 3.21Å; L56-K60 PolarHBondContact O-N 3.29Å
57E97.1Very high96.7Very high105 Ų10593.9 Ų93.949%0.49147%0.469SS..Hα-helixtrans-67.6-38.6179.7-14564.2-148.300111.9R53 K54 T59 K60 A61R53-E57 PolarHBondContact O-N 2.93Å; K54-E57 PolarHBondContact O-N 3.05Å; K54-E57 VanDerWaalsContact O-N 3.11Å; E57-T59 VanDerWaalsContact C-N 3.34Å; E57-K60 WeakPolarHBondContact O-CB 3.37Å; E57-K60 PolarHBondContact O-N 2.89Å; E57-K60 VanDerWaalsContact OE1-CD 3.29Å; E57-K60 WeakPolarHBondContact OE1-CD 3.37Å; E57-K60 IonicContact OE1-NZ 2.88Å; E57-K60 PolarHBondContact OE1-NZ 3.5Å; E57-K60 IonicContact OE2-NZ 2.67Å; E57-K60 PolarHBondContact OE2-NZ 3.07Å; E57-A61 PolarHBondContact O-N 2.89Å
58E96.5Very high96.7Very high66 Ų6692.2 Ų92.231%0.30847%0.465SS..Hα-helixtrans-60.4-43170.1-174.8161.6-132.100111.4N45 K54 K60 A61 Y62N45-E58 PolarHBondContact ND2-OE2 2.93Å; K54-E58 PolarHBondContact O-N 3.39Å; E58-K60 PolarHBondContact O-N 3.4Å; E58-A61 WeakPolarHBondContact O-CB 3.22Å; E58-A61 PolarHBondContact O-N 2.95Å; E58-Y62 HydrophobicContact CG-CD2 4.07Å; E58-Y62 HydrophobicContact CG-CE2 3.85Å; E58-Y62 VanDerWaalsContact O-CD2 3.28Å; E58-Y62 WeakPolarHBondContact O-CD2 3.4Å; E58-Y62 PolarHBondContact O-N 3.07Å
59T97.6Very high96.8Very high31 Ų3187.5 Ų87.519%0.1945%0.449CS..Hα-helixtrans-62.3-41.4174.6-58.90000112.4C42 A55 L56 E57 A61 Y62 T63C42-T59 HydrophobicContact CB-CG2 3.8Å; A55-T59 WeakPolarHBondContact O-CB 3.36Å; A55-T59 PolarHBondContact O-N 3.14Å; A55-T59 PolarHBondContact O-OG1 2.86Å; L56-T59 WeakPolarHBondContact O-CB 3.31Å; L56-T59 PolarHBondContact O-N 3.2Å; E57-T59 VanDerWaalsContact C-N 3.34Å; T59-A61 VanDerWaalsContact C-N 3.35Å; T59-A61 PolarHBondContact O-N 3.44Å; T59-Y62 PolarHBondContact O-N 2.8Å; T59-T63 WeakPolarHBondContact O-CB 3.35Å; T59-T63 PolarHBondContact O-N 2.95Å; T59-T63 PolarHBondContact O-OG1 2.89Å
60K97.9Very high96.9Very high96 Ų9688.5 Ų88.542%0.41745%0.452SS..Hα-helixtrans-61.7-41.1173.1-68.8171.2-177.3167.20112.1L56 E57 E58 T63 T64L56-K60 WeakPolarHBondContact O-CG 3.21Å; L56-K60 PolarHBondContact O-N 3.29Å; E57-K60 WeakPolarHBondContact O-CB 3.37Å; E57-K60 PolarHBondContact O-N 2.89Å; E57-K60 VanDerWaalsContact OE1-CD 3.29Å; E57-K60 WeakPolarHBondContact OE1-CD 3.37Å; E57-K60 IonicContact OE1-NZ 2.88Å; E57-K60 PolarHBondContact OE1-NZ 3.5Å; E57-K60 IonicContact OE2-NZ 2.67Å; E57-K60 PolarHBondContact OE2-NZ 3.07Å; E58-K60 PolarHBondContact O-N 3.4Å; K60-T63 PolarHBondContact O-N 3.36Å; K60-T64 WeakPolarHBondContact O-CB 3.29Å; K60-T64 PolarHBondContact O-N 3.41Å; K60-T64 PolarHBondContact O-OG1 2.85Å
61A97.8Very high97.1Very high58 Ų5881.4 Ų81.448%0.47943%0.429SS..Hα-helixtrans-62.1-49.1178.300000110.9E57 E58 T59 T63 T64 Q65E57-A61 PolarHBondContact O-N 2.89Å; E58-A61 WeakPolarHBondContact O-CB 3.22Å; E58-A61 PolarHBondContact O-N 2.95Å; T59-A61 VanDerWaalsContact C-N 3.35Å; T59-A61 PolarHBondContact O-N 3.44Å; A61-T63 VanDerWaalsContact C-N 3.34Å; A61-T63 PolarHBondContact O-N 2.97Å; A61-T64 PolarHBondContact O-N 2.99Å; A61-Q65 WeakPolarHBondContact O-CB 3.17Å; A61-Q65 PolarHBondContact O-N 3.05Å
62Y97.8Very high97.2Very high76 Ų7685.3 Ų85.330%0.29844%0.438SS..Hα-helixtrans-59.8-40.6172.8-80.3-65.1000112.7V38 Y41 E58 T59 T64 Q65 S66V38-Y62 HydrophobicContact CG1-CD1 3.95Å; V38-Y62 HydrophobicContact CG1-CG 4.05Å; Y41-Y62 HydrophobicContact CD1-CE2 4.28Å; Y41-Y62 HydrophobicContact CE1-CD2 4.44Å; Y41-Y62 AromaticContact CE1-CE2 3.79Å; Y41-Y62 HydrophobicContact CE1-CE2 3.79Å; E58-Y62 HydrophobicContact CG-CD2 4.07Å; E58-Y62 HydrophobicContact CG-CE2 3.85Å; E58-Y62 VanDerWaalsContact O-CD2 3.28Å; E58-Y62 WeakPolarHBondContact O-CD2 3.4Å; E58-Y62 PolarHBondContact O-N 3.07Å; T59-Y62 PolarHBondContact O-N 2.8Å; Y62-T64 PolarHBondContact O-N 3.36Å; Y62-Q65 PolarHBondContact O-N 2.9Å; Y62-S66 VanDerWaalsContact O-CB 3.23Å; Y62-S66 WeakPolarHBondContact O-CB 3.31Å; Y62-S66 PolarHBondContact O-N 3.24Å; Y62-S66 PolarHBondContact O-OG 3.1Å
63T97.8Very high97.3Very high87 Ų8783.4 Ų83.453%0.53443%0.43SS..Hα-helixtrans-61.7-43.5176.8-56.80000111.6T59 K60 A61 S66 L67T59-T63 WeakPolarHBondContact O-CB 3.35Å; T59-T63 PolarHBondContact O-N 2.95Å; T59-T63 PolarHBondContact O-OG1 2.89Å; K60-T63 PolarHBondContact O-N 3.36Å; A61-T63 VanDerWaalsContact C-N 3.34Å; A61-T63 PolarHBondContact O-N 2.97Å; T63-S66 WeakPolarHBondContact O-CB 3.41Å; T63-S66 PolarHBondContact O-N 2.99Å; T63-L67 PolarHBondContact O-N 2.79Å
64T97.9Very high97.4Very high97 Ų9777.8 Ų77.860%0.59542%0.415SS*.Hα-helixtrans-68.7-44.1-179.9-520000111.3K60 A61 Y62 S66 L67 A68K60-T64 WeakPolarHBondContact O-CB 3.29Å; K60-T64 PolarHBondContact O-N 3.41Å; K60-T64 PolarHBondContact O-OG1 2.85Å; A61-T64 PolarHBondContact O-N 2.99Å; Y62-T64 PolarHBondContact O-N 3.36Å; T64-S66 VanDerWaalsContact C-N 3.31Å; T64-S66 PolarHBondContact O-N 3.46Å; T64-L67 PolarHBondContact O-N 3.03Å; T64-A68 PolarHBondContact O-N 2.92Å; T64-A68 VanDerWaalsContact O-N 3.09Å
65Q97.4Very high97.5Very high130 Ų13075.5 Ų75.561%0.60741%0.409SS*.Hα-helixtrans-62.2-39174.8-173.6-178.810.700111.9A61 Y62 S69A61-Q65 WeakPolarHBondContact O-CB 3.17Å; A61-Q65 PolarHBondContact O-N 3.05Å; Y62-Q65 PolarHBondContact O-N 2.9Å; Q65-S69 VanDerWaalsContact O-CB 3.25Å; Q65-S69 WeakPolarHBondContact O-CB 3.2Å; Q65-S69 PolarHBondContact O-N 3.35Å
66S97.9Very high97.5Very high25 Ų2577.1 Ų77.118%0.17542%0.422CS..Hα-helixtrans-63-48.3177.6-62.80000111.7L35 Y62 T63 T64 S69 V70L35-S66 WeakPolarHBondContact CD2-OG 3.46Å; Y62-S66 VanDerWaalsContact O-CB 3.23Å; Y62-S66 WeakPolarHBondContact O-CB 3.31Å; Y62-S66 PolarHBondContact O-N 3.24Å; Y62-S66 PolarHBondContact O-OG 3.1Å; T63-S66 WeakPolarHBondContact O-CB 3.41Å; T63-S66 PolarHBondContact O-N 2.99Å; T64-S66 VanDerWaalsContact C-N 3.31Å; T64-S66 PolarHBondContact O-N 3.46Å; S66-S69 PolarHBondContact O-N 2.75Å; S66-V70 WeakPolarHBondContact O-CG2 3.38Å; S66-V70 PolarHBondContact O-N 2.87Å
67L97.4Very high97.5Very high129 Ų12974.9 Ų74.968%0.67541%0.411SS*.Hα-helixtrans-59.5-47.7177.1178.761000111.6T63 T64 S69 A71T63-L67 PolarHBondContact O-N 2.79Å; T64-L67 PolarHBondContact O-N 3.03Å; L67-S69 PolarHBondContact O-N 2.91Å; L67-A71 VanDerWaalsContact O-CB 3.3Å; L67-A71 WeakPolarHBondContact O-CB 3.26Å; L67-A71 PolarHBondContact O-N 2.96Å
68A97.2Very high97.6Very high62 Ų6272 Ų7251%0.51241%0.405SS..Hα-helixtrans-62.7-41.9178.200000112.5T64 Y72T64-A68 PolarHBondContact O-N 2.92Å; T64-A68 VanDerWaalsContact O-N 3.09Å; A68-Y72 WeakPolarHBondContact O-CB 3.48Å; A68-Y72 PolarHBondContact O-N 3.5Å
69S97.4Very high97.7Very high47 Ų4772.7 Ų72.733%0.32941%0.411SS..Hα-helixtrans-62.4-49.1178.5-174.80000112.1Q65 S66 L67 Y72 Q73Q65-S69 VanDerWaalsContact O-CB 3.25Å; Q65-S69 WeakPolarHBondContact O-CB 3.2Å; Q65-S69 PolarHBondContact O-N 3.35Å; S66-S69 PolarHBondContact O-N 2.75Å; L67-S69 PolarHBondContact O-N 2.91Å; S69-Y72 PolarHBondContact O-N 3.45Å; S69-Q73 WeakPolarHBondContact O-CB 3.42Å; S69-Q73 VanDerWaalsContact O-CG 3.26Å; S69-Q73 WeakPolarHBondContact O-CG 3.39Å; S69-Q73 PolarHBondContact O-N 3.13Å
70V97.6Very high97.7Very high45 Ų4572.9 Ų72.927%0.27341%0.41SS..Hα-helixtrans-65-44.8178.8174.20000111.2L35 S66 Y72 Q73 I74L35-V70 HydrophobicContact CD1-CG2 3.47Å; L35-V70 VanDerWaalsContact CD1-CG2 3.47Å; S66-V70 WeakPolarHBondContact O-CG2 3.38Å; S66-V70 PolarHBondContact O-N 2.87Å; V70-Y72 VanDerWaalsContact C-N 3.34Å; V70-Y72 PolarHBondContact O-N 2.89Å; V70-Q73 PolarHBondContact O-N 2.84Å; V70-I74 HydrophobicContact CG1-CD1 3.63Å; V70-I74 HydrophobicContact CG1-CG1 4.26Å; V70-I74 WeakPolarHBondContact O-CB 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.45Å; V70-I74 PolarHBondContact O-N 3.08Å
71A97.9Very high97.7Very high55 Ų5571 Ų7146%0.45541%0.407SS..Hα-helixtrans-59.7-43.7177.900000111.9L67 N75L67-A71 VanDerWaalsContact O-CB 3.3Å; L67-A71 WeakPolarHBondContact O-CB 3.26Å; L67-A71 PolarHBondContact O-N 2.96Å; A71-N75 VanDerWaalsContact O-CB 3.25Å; A71-N75 WeakPolarHBondContact O-CB 3.45Å; A71-N75 PolarHBondContact O-N 3.37Å
72Y97.8Very high97.7Very high171 Ų17173.1 Ų73.167%0.67141%0.41SS*.Hα-helixtrans-63-47176178-99.1000112.4A68 S69 V70 N75 A76A68-Y72 WeakPolarHBondContact O-CB 3.48Å; A68-Y72 PolarHBondContact O-N 3.5Å; S69-Y72 PolarHBondContact O-N 3.45Å; V70-Y72 VanDerWaalsContact C-N 3.34Å; V70-Y72 PolarHBondContact O-N 2.89Å; Y72-N75 PolarHBondContact O-N 2.81Å; Y72-A76 WeakPolarHBondContact O-CB 3.38Å; Y72-A76 PolarHBondContact O-N 3.01Å
73Q97.4Very high97.6Very high39 Ų3972.8 Ų72.818%0.18241%0.411CS..Hα-helixtrans-63.5-42.5-179.9-72.1169.8-4.900112.6L28 S31 S69 V70 L77L28-Q73 HydrophobicContact CD1-CB 3.76Å; S31-Q73 PolarHBondContact OG-OE1 3.05Å; S69-Q73 WeakPolarHBondContact O-CB 3.42Å; S69-Q73 VanDerWaalsContact O-CG 3.26Å; S69-Q73 WeakPolarHBondContact O-CG 3.39Å; S69-Q73 PolarHBondContact O-N 3.13Å; V70-Q73 PolarHBondContact O-N 2.84Å; Q73-L77 WeakPolarHBondContact O-CB 3.25Å; Q73-L77 PolarHBondContact O-N 3.19Å; Q73-L77 VanDerWaalsContact O-N 3.07Å
74I97.8Very high97.5Very high91 Ų9169.7 Ų69.747%0.46739%0.391SS..Hα-helixtrans-65.1-46.6175.8-67.9174.9000110.2L28 V70 A76 L77 A78L28-I74 HydrophobicContact CD1-CG1 3.82Å; V70-I74 HydrophobicContact CG1-CD1 3.63Å; V70-I74 HydrophobicContact CG1-CG1 4.26Å; V70-I74 WeakPolarHBondContact O-CB 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.45Å; V70-I74 PolarHBondContact O-N 3.08Å; I74-A76 PolarHBondContact O-N 3.46Å; I74-L77 PolarHBondContact O-N 2.96Å; I74-A78 VanDerWaalsContact O-CB 3.27Å; I74-A78 WeakPolarHBondContact O-CB 3.34Å; I74-A78 PolarHBondContact O-N 3.41Å
75N98Very high97.5Very high95 Ų9569.4 Ų69.451%0.50839%0.385SS..Hα-helixtrans-61.4-45.8179.3179.169.2000112A71 Y72 A78 N79A71-N75 VanDerWaalsContact O-CB 3.25Å; A71-N75 WeakPolarHBondContact O-CB 3.45Å; A71-N75 PolarHBondContact O-N 3.37Å; Y72-N75 PolarHBondContact O-N 2.81Å; N75-A78 PolarHBondContact O-N 3.2Å; N75-N79 PolarHBondContact O-N 3.15Å; N75-N79 PolarHBondContact O-ND2 3.41Å; N75-N79 PolarHBondContact OD1-ND2 3.06Å; N75-N79 VanDerWaalsContact OD1-ND2 3.15Å
76A96.6Very high97.4Very high35 Ų3568.5 Ų68.529%0.28938%0.384SS..Hα-helixtrans-59.3-51.4176.700000111.3Y72 I74 A78 N79 N80Y72-A76 WeakPolarHBondContact O-CB 3.38Å; Y72-A76 PolarHBondContact O-N 3.01Å; I74-A76 PolarHBondContact O-N 3.46Å; A76-A78 VanDerWaalsContact C-N 3.31Å; A76-A78 PolarHBondContact O-N 3.48Å; A76-N79 PolarHBondContact O-N 2.83Å; A76-N80 PolarHBondContact O-N 3.11Å; A76-N80 VanDerWaalsContact O-N 3.11Å; A76-N80 PolarHBondContact O-OD1 2.94Å
77L97.6Very high97.3Very high33 Ų3367.4 Ų67.417%0.17338%0.377CS..Hα-helixtrans-61.6-37.5179.3-174.659.8000112.6I21 L28 Q73 I74 V81I21-L77 HydrophobicContact CB-CD1 4.34Å; I21-L77 HydrophobicContact CG2-CD1 3.93Å; L28-L77 HydrophobicContact CD2-CD2 4.43Å; Q73-L77 WeakPolarHBondContact O-CB 3.25Å; Q73-L77 PolarHBondContact O-N 3.19Å; Q73-L77 VanDerWaalsContact O-N 3.07Å; I74-L77 PolarHBondContact O-N 2.96Å; L77-V81 VanDerWaalsContact O-CG2 3.29Å; L77-V81 WeakPolarHBondContact O-CG2 3.46Å; L77-V81 PolarHBondContact O-N 3.37Å
78A98Very high97.2Very high44 Ų4464.8 Ų64.836%0.36436%0.361SS..Hα-helixtrans-65.7-44.6177.100000112.4I74 N75 A76 V81 L82I74-A78 VanDerWaalsContact O-CB 3.27Å; I74-A78 WeakPolarHBondContact O-CB 3.34Å; I74-A78 PolarHBondContact O-N 3.41Å; N75-A78 PolarHBondContact O-N 3.2Å; A76-A78 VanDerWaalsContact C-N 3.31Å; A76-A78 PolarHBondContact O-N 3.48Å; A78-V81 PolarHBondContact O-N 2.9Å; A78-L82 WeakPolarHBondContact O-CG 3.05Å; A78-L82 PolarHBondContact O-N 2.9Å
79N98Very high97.2Very high81 Ų8163.7 Ų63.743%0.43335%0.352SS..Hα-helixtrans-62-44.5177.2-79.9-84.4000111.4N75 A76 V81 L82 Q83N75-N79 PolarHBondContact O-N 3.15Å; N75-N79 PolarHBondContact O-ND2 3.41Å; N75-N79 PolarHBondContact OD1-ND2 3.06Å; N75-N79 VanDerWaalsContact OD1-ND2 3.15Å; A76-N79 PolarHBondContact O-N 2.83Å; N79-V81 VanDerWaalsContact C-N 3.33Å; N79-V81 PolarHBondContact O-N 3.28Å; N79-L82 PolarHBondContact O-N 2.78Å; N79-Q83 WeakPolarHBondContact O-CB 3.45Å; N79-Q83 PolarHBondContact O-N 3.3Å
80N97.6Very high97Very high34 Ų3462.3 Ų62.318%0.18234%0.343CS..Hα-helixtrans-64.3-36.7178.2-66.340.6000111.7L16 E20 I21 A76 L84L16-N80 HydrophobicContact CD2-CB 3.66Å; E20-N80 PolarHBondContact OE2-ND2 3.33Å; I21-N80 HydrophobicContact CG1-CB 3.97Å; A76-N80 PolarHBondContact O-N 3.11Å; A76-N80 VanDerWaalsContact O-N 3.11Å; A76-N80 PolarHBondContact O-OD1 2.94Å; N80-L84 WeakPolarHBondContact O-CB 3.33Å; N80-L84 PolarHBondContact O-N 3.02Å
81V97.8Very high96.8Very high56 Ų5662.2 Ų62.234%0.33934%0.339SS..Hα-helixtrans-68.1-38.3173.6169.30000112.3I21 L77 A78 N79 L84 L85I21-V81 HydrophobicContact CD1-CG2 4.02Å; I21-V81 HydrophobicContact CG1-CG2 4.3Å; I21-V81 HydrophobicContact CG2-CG2 4.21Å; L77-V81 VanDerWaalsContact O-CG2 3.29Å; L77-V81 WeakPolarHBondContact O-CG2 3.46Å; L77-V81 PolarHBondContact O-N 3.37Å; A78-V81 PolarHBondContact O-N 2.9Å; N79-V81 VanDerWaalsContact C-N 3.33Å; N79-V81 PolarHBondContact O-N 3.28Å; V81-L84 WeakPolarHBondContact O-CB 3.4Å; V81-L84 PolarHBondContact O-N 2.98Å; V81-L85 HydrophobicContact CG1-CD1 4.22Å; V81-L85 WeakPolarHBondContact O-CG 3.3Å; V81-L85 PolarHBondContact O-N 2.8Å; V81-L85 VanDerWaalsContact O-N 3.15Å
82L97.8Very high96.7Very high104 Ų10464.7 Ų64.755%0.54534%0.344SS..Hα-helixtrans-64.8-46.3174.2-70.7169.6000111.2A78 N79 L84 L85 D86A78-L82 WeakPolarHBondContact O-CG 3.05Å; A78-L82 PolarHBondContact O-N 2.9Å; N79-L82 PolarHBondContact O-N 2.78Å; L82-L84 VanDerWaalsContact C-N 3.31Å; L82-L84 PolarHBondContact O-N 3.43Å; L82-L85 PolarHBondContact O-N 2.89Å; L82-L85 VanDerWaalsContact O-N 3.14Å; L82-D86 PolarHBondContact O-N 2.62Å
83Q96.5Very high96.6Very high69 Ų6963.9 Ų63.932%0.32234%0.34SS..Hα-helixtrans-58.8-41.2176.5-171.5179.6-0.100112E12 L16 N79 D86 I87E12-Q83 PolarHBondContact OE1-NE2 2.81Å; L16-Q83 HydrophobicContact CD1-CB 4.29Å; L16-Q83 HydrophobicContact CD1-CG 3.93Å; N79-Q83 WeakPolarHBondContact O-CB 3.45Å; N79-Q83 PolarHBondContact O-N 3.3Å; Q83-D86 PolarHBondContact O-N 3.1Å; Q83-I87 HydrophobicContact CG-CD1 4.16Å; Q83-I87 WeakPolarHBondContact O-CD1 3.31Å; Q83-I87 VanDerWaalsContact O-CG1 3.24Å; Q83-I87 WeakPolarHBondContact O-CG1 3.39Å; Q83-I87 PolarHBondContact O-N 3.15Å
84L96.7Very high96.4Very high22 Ų2265.9 Ų65.912%0.11535%0.346CS..Hα-helixtrans-56.4-50.8173-174.587.2000111.6L13 L16 L17 I21 N80 V81 L82 I87 Q88L13-L84 HydrophobicContact CD1-CD1 3.51Å; L13-L84 HydrophobicContact CD1-CG 4.15Å; L13-L84 HydrophobicContact CG-CD1 4.45Å; L16-L84 HydrophobicContact CB-CD1 3.8Å; L16-L84 HydrophobicContact CD1-CB 4.5Å; L17-L84 HydrophobicContact CD2-CD1 3.55Å; L17-L84 HydrophobicContact CD2-CD2 4.08Å; L17-L84 HydrophobicContact CD2-CG 4.41Å; L17-L84 HydrophobicContact CG-CD1 3.62Å; I21-L84 HydrophobicContact CD1-CB 4.01Å; I21-L84 HydrophobicContact CD1-CD1 4.13Å; I21-L84 HydrophobicContact CD1-CD2 3.94Å; I21-L84 HydrophobicContact CD1-CG 4.25Å; N80-L84 WeakPolarHBondContact O-CB 3.33Å; N80-L84 PolarHBondContact O-N 3.02Å; V81-L84 WeakPolarHBondContact O-CB 3.4Å; V81-L84 PolarHBondContact O-N 2.98Å; L82-L84 VanDerWaalsContact C-N 3.31Å; L82-L84 PolarHBondContact O-N 3.43Å; L84-I87 PolarHBondContact O-N 3.02Å; L84-Q88 WeakPolarHBondContact O-CG 3.47Å; L84-Q88 PolarHBondContact O-N 2.87Å
85L97.1Very high96.4Very high90 Ų9066.7 Ų66.747%0.47135%0.349SS..Hα-helixtrans-65.9-40-178.4-68.7169.9000111.8V81 L82 I87 Q88 A89V81-L85 HydrophobicContact CG1-CD1 4.22Å; V81-L85 WeakPolarHBondContact O-CG 3.3Å; V81-L85 PolarHBondContact O-N 2.8Å; V81-L85 VanDerWaalsContact O-N 3.15Å; L82-L85 PolarHBondContact O-N 2.89Å; L82-L85 VanDerWaalsContact O-N 3.14Å; L85-I87 PolarHBondContact O-N 2.91Å; L85-Q88 PolarHBondContact O-N 2.93Å; L85-A89 VanDerWaalsContact O-CB 3.3Å; L85-A89 WeakPolarHBondContact O-CB 3.32Å; L85-A89 PolarHBondContact O-N 3.44Å
86D96.3Very high96.3Very high111 Ų11167.4 Ų67.459%0.59435%0.349SS*.Hα-helixtrans-63-40.7174.8-92.7-28.1000112.5L82 Q83 S90L82-D86 PolarHBondContact O-N 2.62Å; Q83-D86 PolarHBondContact O-N 3.1Å; D86-S90 WeakPolarHBondContact O-CB 3.43Å; D86-S90 PolarHBondContact O-N 2.63Å
87I94.9Very high96.3Very high3 Ų369.6 Ų69.62%0.01536%0.362CS..Hα-helixtrans-64.9-45.9175.5-64.9162000109.9E12 L13 L16 Q83 L84 L85 S90 Q91E12-I87 HydrophobicContact CB-CD1 4.3Å; E12-I87 HydrophobicContact CG-CD1 3.7Å; L13-I87 HydrophobicContact CB-CG2 4.05Å; L13-I87 HydrophobicContact CD1-CB 4.13Å; L13-I87 HydrophobicContact CD1-CG2 3.96Å; L13-I87 HydrophobicContact CG-CG2 4.42Å; L16-I87 HydrophobicContact CD1-CD1 3.78Å; Q83-I87 HydrophobicContact CG-CD1 4.16Å; Q83-I87 WeakPolarHBondContact O-CD1 3.31Å; Q83-I87 VanDerWaalsContact O-CG1 3.24Å; Q83-I87 WeakPolarHBondContact O-CG1 3.39Å; Q83-I87 PolarHBondContact O-N 3.15Å; L84-I87 PolarHBondContact O-N 3.02Å; L85-I87 PolarHBondContact O-N 2.91Å; I87-S90 WeakPolarHBondContact O-CB 3.41Å; I87-S90 PolarHBondContact O-N 2.72Å; I87-S90 PolarHBondContact O-OG 3.08Å; I87-Q91 WeakPolarHBondContact O-CG 3.27Å; I87-Q91 PolarHBondContact O-N 3.05Å
88Q96.1Very high96.3Very high73 Ų7371.2 Ų71.234%0.34138%0.377SS..Hα-helixtrans-61.2-47.7176.2-71.7-179.8-7.800112.2L13 L84 L85 S90 Q91 L92L13-Q88 HydrophobicContact CD1-CG 4.02Å; L84-Q88 WeakPolarHBondContact O-CG 3.47Å; L84-Q88 PolarHBondContact O-N 2.87Å; L85-Q88 PolarHBondContact O-N 2.93Å; Q88-S90 PolarHBondContact O-N 3.03Å; Q88-Q91 WeakPolarHBondContact O-CA 3.41Å; Q88-Q91 WeakPolarHBondContact O-CB 3.14Å; Q88-Q91 PolarHBondContact O-N 3.18Å; Q88-L92 PolarHBondContact O-N 2.97Å
89A96.3Very high96.3Very high40 Ų4073.7 Ų73.733%0.33138%0.383SS..Hα-helixtrans-62-29.5175.300000112.4L85 R93L85-A89 VanDerWaalsContact O-CB 3.3Å; L85-A89 WeakPolarHBondContact O-CB 3.32Å; L85-A89 PolarHBondContact O-N 3.44Å; A89-R93 WeakPolarHBondContact O-CG 3.29Å; A89-R93 PolarHBondContact O-N 3.32Å; A89-R93 PolarHBondContact O-NE 3.38Å
90S93.6Very high96.3Very high18 Ų1873.7 Ų73.713%0.12638%0.382CS..Hα-helixtrans-71.3-35170.787.30000112.6D86 I87 Q88 R94D86-S90 WeakPolarHBondContact O-CB 3.43Å; D86-S90 PolarHBondContact O-N 2.63Å; I87-S90 WeakPolarHBondContact O-CB 3.41Å; I87-S90 PolarHBondContact O-N 2.72Å; I87-S90 PolarHBondContact O-OG 3.08Å; Q88-S90 PolarHBondContact O-N 3.03Å; S90-R94 WeakPolarHBondContact O-CG 3.37Å; S90-R94 PolarHBondContact O-N 3.3Å; S90-R94 PolarHBondContact O-NH1 3.01Å; S90-R94 PolarHBondContact OG-NH1 3.4Å
91Q93.4Very high96.3Very high43 Ų4377.8 Ų77.820%0.20140%0.4CS..Hα-helixtrans-70.9-45179.4-72.9174.2-0.300111.1M10 I87 Q88 R93 R94 M95M10-Q91 HydrophobicContact CE-CG 4.33Å; M10-Q91 PolarHBondContact SD-NE2 2.83Å; I87-Q91 WeakPolarHBondContact O-CG 3.27Å; I87-Q91 PolarHBondContact O-N 3.05Å; Q88-Q91 WeakPolarHBondContact O-CA 3.41Å; Q88-Q91 WeakPolarHBondContact O-CB 3.14Å; Q88-Q91 PolarHBondContact O-N 3.18Å; Q91-R93 PolarHBondContact O-N 3.5Å; Q91-R94 PolarHBondContact O-N 3.14Å; Q91-R94 VanDerWaalsContact O-N 3.12Å; Q91-M95 PolarHBondContact O-N 3.38Å
92L95.9Very high96.3Very high107 Ų10780.2 Ų80.256%0.5641%0.41SS*.Hα-helixtrans-56.3-48.7176.4-65.7-179.6000111.4Q88 R94 M95 E96Q88-L92 PolarHBondContact O-N 2.97Å; L92-R94 VanDerWaalsContact C-N 3.3Å; L92-R94 PolarHBondContact O-N 2.8Å; L92-M95 HydrophobicContact CD2-CE 3.71Å; L92-M95 PolarHBondContact O-N 2.9Å; L92-M95 VanDerWaalsContact O-N 3.14Å; L92-E96 WeakPolarHBondContact O-CB 3.3Å; L92-E96 PolarHBondContact O-N 3.45Å
93R95.9Very high96.4Very high153 Ų15378 Ų7858%0.57740%0.403SS*.Hα-helixtrans-58.8-34.7176-74.3179-76.1173.5-8.1113.9A89 Q91 S97A89-R93 WeakPolarHBondContact O-CG 3.29Å; A89-R93 PolarHBondContact O-N 3.32Å; A89-R93 PolarHBondContact O-NE 3.38Å; Q91-R93 PolarHBondContact O-N 3.5Å; R93-S97 WeakPolarHBondContact O-CB 3.1Å; R93-S97 PolarHBondContact O-N 2.85Å; R93-S97 VanDerWaalsContact O-N 3.1Å
94R92.4Very high96.5Very high81 Ų8180 Ų8031%0.30641%0.413SS..Hα-helixtrans-75.4-36.3175.1-69.1-165.4-50.2-76.512.7112.7E6 S90 Q91 L92 S98E6-R94 IonicContact OE1-CZ 2.61Å; E6-R94 IonicContact OE1-NE 2.63Å; E6-R94 PolarHBondContact OE1-NE 3.35Å; E6-R94 IonicContact OE1-NH2 2.62Å; E6-R94 PolarHBondContact OE1-NH2 2.98Å; S90-R94 WeakPolarHBondContact O-CG 3.37Å; S90-R94 PolarHBondContact O-N 3.3Å; S90-R94 PolarHBondContact O-NH1 3.01Å; S90-R94 PolarHBondContact OG-NH1 3.4Å; Q91-R94 PolarHBondContact O-N 3.14Å; Q91-R94 VanDerWaalsContact O-N 3.12Å; L92-R94 VanDerWaalsContact C-N 3.3Å; L92-R94 PolarHBondContact O-N 2.8Å; R94-S98 WeakPolarHBondContact O-CB 3.47Å; R94-S98 PolarHBondContact O-N 3.28Å; R94-S98 PolarHBondContact O-OG 3.02Å
95M96.9Very high96.6Very high108 Ų10882.6 Ų82.653%0.53243%0.43SS..Hα-helixtrans-66.5-44.9174.6-177.1169.263.500111.2Q91 L92 S98 I99Q91-M95 PolarHBondContact O-N 3.38Å; L92-M95 HydrophobicContact CD2-CE 3.71Å; L92-M95 PolarHBondContact O-N 2.9Å; L92-M95 VanDerWaalsContact O-N 3.14Å; M95-S98 WeakPolarHBondContact O-CB 3.43Å; M95-S98 PolarHBondContact O-N 3.01Å; M95-I99 HydrophobicContact CG-CD1 3.91Å; M95-I99 VanDerWaalsContact O-CG1 3.3Å; M95-I99 WeakPolarHBondContact O-CG1 3.35Å; M95-I99 PolarHBondContact O-N 3.48Å
96E96.6Very high96.7Very high111 Ų11181.6 Ų81.652%0.51943%0.427SS..Hα-helixtrans-55.7-51.4171.7-179.2-172.2-175.100111.7L92 S98 I99 N100L92-E96 WeakPolarHBondContact O-CB 3.3Å; L92-E96 PolarHBondContact O-N 3.45Å; E96-S98 PolarHBondContact O-N 3.47Å; E96-I99 PolarHBondContact O-N 2.86Å; E96-I99 VanDerWaalsContact O-N 3.11Å; E96-N100 PolarHBondContact O-N 2.95Å
97S97.2Very high96.8Very high80 Ų8080.6 Ų80.656%0.55942%0.422SS*.Hα-helixtrans-56.6-39.1175.9-174.80000112.5R93 N100 H101R93-S97 WeakPolarHBondContact O-CB 3.1Å; R93-S97 PolarHBondContact O-N 2.85Å; R93-S97 VanDerWaalsContact O-N 3.1Å; S97-N100 PolarHBondContact O-N 2.59Å; S97-H101 PolarHBondContact O-N 3.2Å; S97-H101 VanDerWaalsContact O-N 3.12Å
98S97.4Very high96.9Very high68 Ų6884.7 Ų84.748%0.47644%0.443SS..Hα-helixtrans-68.2-41.3176.5-56.60000112.4R94 M95 E96 H101 I102R94-S98 WeakPolarHBondContact O-CB 3.47Å; R94-S98 PolarHBondContact O-N 3.28Å; R94-S98 PolarHBondContact O-OG 3.02Å; M95-S98 WeakPolarHBondContact O-CB 3.43Å; M95-S98 PolarHBondContact O-N 3.01Å; E96-S98 PolarHBondContact O-N 3.47Å; S98-H101 PolarHBondContact O-N 2.81Å; S98-I102 WeakPolarHBondContact O-CD1 3.28Å; S98-I102 WeakPolarHBondContact O-CG1 3.48Å; S98-I102 PolarHBondContact O-N 3.01Å
99I97.6Very high97.1Very high96 Ų9686.9 Ų86.949%0.49245%0.453SS..Hα-helixtrans-64.5-42175.4-70.7164.4000110.6M95 E96 H101 I102 S103M95-I99 HydrophobicContact CG-CD1 3.91Å; M95-I99 VanDerWaalsContact O-CG1 3.3Å; M95-I99 WeakPolarHBondContact O-CG1 3.35Å; M95-I99 PolarHBondContact O-N 3.48Å; E96-I99 PolarHBondContact O-N 2.86Å; E96-I99 VanDerWaalsContact O-N 3.11Å; I99-H101 VanDerWaalsContact C-N 3.34Å; I99-H101 PolarHBondContact O-N 3.04Å; I99-I102 CarbonylContact O-C 3.54Å; I99-I102 WeakPolarHBondContact O-CB 3.2Å; I99-I102 PolarHBondContact O-N 3.2Å; I99-I102 VanDerWaalsContact O-N 3.13Å; I99-S103 PolarHBondContact O-N 2.84Å
100N98.3Very high97.2Very high80 Ų8091.5 Ų91.543%0.42847%0.465SS..Hα-helixtrans-62.6-40.1177.2-71.5-19.2000111.7E96 S97 S103 Q104E96-N100 PolarHBondContact O-N 2.95Å; S97-N100 PolarHBondContact O-N 2.59Å; N100-S103 PolarHBondContact O-N 2.89Å; N100-Q104 WeakPolarHBondContact O-CG 3.25Å; N100-Q104 PolarHBondContact O-N 3.44Å
101H97.9Very high97.4Very high121 Ų12194.7 Ų94.756%0.5648%0.478SS*.Hα-helixtrans-66.8-35.2173.3-171.562.9000112.9S97 S98 I99 T105S97-H101 PolarHBondContact O-N 3.2Å; S97-H101 VanDerWaalsContact O-N 3.12Å; S98-H101 PolarHBondContact O-N 2.81Å; I99-H101 VanDerWaalsContact C-N 3.34Å; I99-H101 PolarHBondContact O-N 3.04Å; H101-T105 WeakPolarHBondContact O-CB 3.41Å; H101-T105 PolarHBondContact O-N 2.9Å; H101-T105 PolarHBondContact O-OG1 3.23Å
102I98.4Very high97.7Very high106 Ų10699.1 Ų99.154%0.54450%0.497SS..Hα-helixtrans-65.5-44172.2-70.4160.1000110.8S98 I99 T105 V106S98-I102 WeakPolarHBondContact O-CD1 3.28Å; S98-I102 WeakPolarHBondContact O-CG1 3.48Å; S98-I102 PolarHBondContact O-N 3.01Å; I99-I102 CarbonylContact O-C 3.54Å; I99-I102 WeakPolarHBondContact O-CB 3.2Å; I99-I102 PolarHBondContact O-N 3.2Å; I99-I102 VanDerWaalsContact O-N 3.13Å; I102-T105 WeakPolarHBondContact O-CB 3.36Å; I102-T105 PolarHBondContact O-N 3.05Å; I102-V106 WeakPolarHBondContact O-CG2 3.23Å; I102-V106 PolarHBondContact O-N 3.4Å
103S98.6Very high97.8Very high57 Ų5797.2 Ų97.240%0.39949%0.489SS..Hα-helixtrans-58.1-55.8175.8-165.60000110.4I99 N100 T105 V106 D107I99-S103 PolarHBondContact O-N 2.84Å; N100-S103 PolarHBondContact O-N 2.89Å; S103-T105 PolarHBondContact O-N 3.01Å; S103-T105 VanDerWaalsContact O-N 3.11Å; S103-V106 CarbonylContact O-C 3.51Å; S103-V106 WeakPolarHBondContact O-CA 3.03Å; S103-V106 WeakPolarHBondContact O-CB 3.27Å; S103-V106 PolarHBondContact O-N 3.48Å; S103-D107 VanDerWaalsContact O-CG 3.22Å; S103-D107 PolarHBondContact O-N 3.47Å; S103-D107 PolarHBondContact OG-OD2 2.74Å
104Q98.6Very high98Very high113 Ų11392.4 Ų92.453%0.52848%0.482SS..Hα-helixtrans-52.3-39.8176.8-69.9171.25.800112.2N100 D107 I108N100-Q104 WeakPolarHBondContact O-CG 3.25Å; N100-Q104 PolarHBondContact O-N 3.44Å; Q104-D107 PolarHBondContact O-N 3.04Å; Q104-I108 WeakPolarHBondContact O-CB 3.48Å; Q104-I108 WeakPolarHBondContact O-CD1 3.09Å; Q104-I108 WeakPolarHBondContact O-CG1 3.31Å; Q104-I108 PolarHBondContact O-N 3.24Å
105T98.7Very high98.3Very high76 Ų7696.5 Ų96.547%0.46650%0.498SS..Hα-helixtrans-65.8-40.7176.2-61.30000112.3H101 I102 S103 H109H101-T105 WeakPolarHBondContact O-CB 3.41Å; H101-T105 PolarHBondContact O-N 2.9Å; H101-T105 PolarHBondContact O-OG1 3.23Å; I102-T105 WeakPolarHBondContact O-CB 3.36Å; I102-T105 PolarHBondContact O-N 3.05Å; S103-T105 PolarHBondContact O-N 3.01Å; S103-T105 VanDerWaalsContact O-N 3.11Å; T105-H109 VanDerWaalsContact O-CB 3.31Å; T105-H109 WeakPolarHBondContact O-CB 3.24Å; T105-H109 PolarHBondContact O-N 3.47Å
106V98.8Very high98.3Very high69 Ų6999.8 Ų99.842%0.41850%0.504SS..Hα-helixtrans-67-44.9174.1171.50000111I102 S103 H109 K110I102-V106 WeakPolarHBondContact O-CG2 3.23Å; I102-V106 PolarHBondContact O-N 3.4Å; S103-V106 CarbonylContact O-C 3.51Å; S103-V106 WeakPolarHBondContact O-CA 3.03Å; S103-V106 WeakPolarHBondContact O-CB 3.27Å; S103-V106 PolarHBondContact O-N 3.48Å; V106-H109 CarbonylContact O-C 3.54Å; V106-H109 WeakPolarHBondContact O-CA 3.45Å; V106-H109 WeakPolarHBondContact O-CB 3.26Å; V106-H109 PolarHBondContact O-N 3.03Å; V106-K110 HydrophobicContact CG1-CG 4.16Å; V106-K110 VanDerWaalsContact O-CG 3.24Å; V106-K110 WeakPolarHBondContact O-CG 3.41Å; V106-K110 PolarHBondContact O-N 2.91Å
107D98.6Very high98.4Very high89 Ų89100.6 Ų100.648%0.47651%0.508SS..Hα-helixtrans-64.5-45.8-179-61.3-42.5000111S103 Q104 H109 K110 E111S103-D107 VanDerWaalsContact O-CG 3.22Å; S103-D107 PolarHBondContact O-N 3.47Å; S103-D107 PolarHBondContact OG-OD2 2.74Å; Q104-D107 PolarHBondContact O-N 3.04Å; D107-H109 VanDerWaalsContact C-N 3.27Å; D107-H109 PolarHBondContact O-N 3.45Å; D107-K110 PolarHBondContact O-N 3.44Å; D107-E111 WeakPolarHBondContact O-CB 3.34Å; D107-E111 PolarHBondContact O-N 3.46Å
108I98.7Very high98.5Very high90 Ų90101.7 Ų101.746%0.46251%0.507SS..Hα-helixtrans-59.4-36.9170.9-71.7167000111.3Q104 K112Q104-I108 WeakPolarHBondContact O-CB 3.48Å; Q104-I108 WeakPolarHBondContact O-CD1 3.09Å; Q104-I108 WeakPolarHBondContact O-CG1 3.31Å; Q104-I108 PolarHBondContact O-N 3.24Å; I108-K112 HydrophobicContact CG2-CD 3.84Å; I108-K112 VanDerWaalsContact CG2-CE 3.47Å; I108-K112 VanDerWaalsContact O-CB 3.25Å; I108-K112 WeakPolarHBondContact O-CB 3.07Å; I108-K112 WeakPolarHBondContact O-CD 3.39Å; I108-K112 WeakPolarHBondContact O-CG 3.3Å; I108-K112 PolarHBondContact O-N 2.97Å
109H98.9Very high98.5Very high118 Ų11899.7 Ų99.755%0.54650%0.497SS..Hα-helixtrans-69.3-46.4175.6178.796.4000112T105 V106 D107 E111 K112 V113T105-H109 VanDerWaalsContact O-CB 3.31Å; T105-H109 WeakPolarHBondContact O-CB 3.24Å; T105-H109 PolarHBondContact O-N 3.47Å; V106-H109 CarbonylContact O-C 3.54Å; V106-H109 WeakPolarHBondContact O-CA 3.45Å; V106-H109 WeakPolarHBondContact O-CB 3.26Å; V106-H109 PolarHBondContact O-N 3.03Å; D107-H109 VanDerWaalsContact C-N 3.27Å; D107-H109 PolarHBondContact O-N 3.45Å; H109-E111 PolarHBondContact O-N 2.84Å; H109-K112 PolarHBondContact O-N 2.96Å; H109-V113 WeakPolarHBondContact O-CG2 3.26Å; H109-V113 PolarHBondContact O-N 3.09Å
110K98.8Very high98.5Very high137 Ų137101 Ų10160%0.59650%0.503SS*.Hα-helixtrans-58-48.4177.7-68.4-77.2-176.3173.80110.7V106 D107 V113 A114V106-K110 HydrophobicContact CG1-CG 4.16Å; V106-K110 VanDerWaalsContact O-CG 3.24Å; V106-K110 WeakPolarHBondContact O-CG 3.41Å; V106-K110 PolarHBondContact O-N 2.91Å; D107-K110 PolarHBondContact O-N 3.44Å; K110-V113 PolarHBondContact O-N 3.43Å; K110-A114 PolarHBondContact O-N 2.67Å
111E98.8Very high98.5Very high85 Ų85104 Ų10440%0.39752%0.519SS..Hα-helixtrans-66.2-38177.3177.865.216300112.1D107 H109 V113 A114 R115D107-E111 WeakPolarHBondContact O-CB 3.34Å; D107-E111 PolarHBondContact O-N 3.46Å; H109-E111 PolarHBondContact O-N 2.84Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 PolarHBondContact O-N 3.14Å; E111-A114 PolarHBondContact O-N 2.84Å; E111-R115 HydrophobicContact CG-CG 4.37Å; E111-R115 VanDerWaalsContact O-CB 3.28Å; E111-R115 WeakPolarHBondContact O-CB 3.5Å; E111-R115 WeakPolarHBondContact O-CG 3.39Å; E111-R115 PolarHBondContact O-N 3.29Å; E111-R115 IonicContact OE1-CZ 2.72Å; E111-R115 IonicContact OE1-NE 2.75Å; E111-R115 PolarHBondContact OE1-NE 3.31Å; E111-R115 IonicContact OE1-NH2 3.18Å; E111-R115 PolarHBondContact OE1-NH2 3.27Å
112K98.8Very high98.5Very high137 Ų137103 Ų10360%0.59652%0.521SS*.Hα-helixtrans-64.4-34.4173.2-79.8169.4-178.81680113I108 H109 R116I108-K112 HydrophobicContact CG2-CD 3.84Å; I108-K112 VanDerWaalsContact CG2-CE 3.47Å; I108-K112 VanDerWaalsContact O-CB 3.25Å; I108-K112 WeakPolarHBondContact O-CB 3.07Å; I108-K112 WeakPolarHBondContact O-CD 3.39Å; I108-K112 WeakPolarHBondContact O-CG 3.3Å; I108-K112 PolarHBondContact O-N 2.97Å; H109-K112 PolarHBondContact O-N 2.96Å; K112-R116 VanDerWaalsContact O-CB 3.32Å; K112-R116 WeakPolarHBondContact O-CB 3.46Å; K112-R116 PolarHBondContact O-N 2.89Å; K112-R116 VanDerWaalsContact O-N 3.09Å
113V98.8Very high98.5Very high66 Ų66104.4 Ų104.440%0.454%0.535SS..Hα-helixtrans-71-48.3173.9171.10000110.3H109 K110 E111 R115 R116 E117H109-V113 WeakPolarHBondContact O-CG2 3.26Å; H109-V113 PolarHBondContact O-N 3.09Å; K110-V113 PolarHBondContact O-N 3.43Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 PolarHBondContact O-N 3.14Å; V113-R115 PolarHBondContact O-N 2.98Å; V113-R116 WeakPolarHBondContact O-CB 3.33Å; V113-R116 PolarHBondContact O-N 2.99Å; V113-R116 VanDerWaalsContact O-N 3.16Å; V113-E117 PolarHBondContact O-N 3.11Å
114A98.6Very high98.4Very high52 Ų52108.2 Ų108.243%0.4355%0.551SS.*Hα-helixtrans-59-46.3177.200000112.2K110 E111 R116 E117 I118K110-A114 PolarHBondContact O-N 2.67Å; E111-A114 PolarHBondContact O-N 2.84Å; A114-R116 VanDerWaalsContact C-N 3.33Å; A114-R116 PolarHBondContact O-N 3.18Å; A114-E117 PolarHBondContact O-N 2.8Å; A114-I118 WeakPolarHBondContact O-CG2 3.47Å; A114-I118 PolarHBondContact O-N 3.49Å
115R98.5Very high98.3Very high167 Ų167111.7 Ų111.763%0.6357%0.565SS**Hα-helixtrans-64.9-31.5175.6-73.3-168.8-172.5-168.18.8113.6E111 V113 G119E111-R115 HydrophobicContact CG-CG 4.37Å; E111-R115 VanDerWaalsContact O-CB 3.28Å; E111-R115 WeakPolarHBondContact O-CB 3.5Å; E111-R115 WeakPolarHBondContact O-CG 3.39Å; E111-R115 PolarHBondContact O-N 3.29Å; E111-R115 IonicContact OE1-CZ 2.72Å; E111-R115 IonicContact OE1-NE 2.75Å; E111-R115 PolarHBondContact OE1-NE 3.31Å; E111-R115 IonicContact OE1-NH2 3.18Å; E111-R115 PolarHBondContact OE1-NH2 3.27Å; V113-R115 PolarHBondContact O-N 2.98Å; R115-G119 WeakPolarHBondContact O-CA 3.42Å; R115-G119 PolarHBondContact O-N 3.34Å
116R98.3Very high98.1Very high177 Ų177115.6 Ų115.667%0.66858%0.583SS**Hα-helixtrans-66.4-47.1172.5-179.1-177.1-64.4166.80.1110.6K112 V113 A114 G119 I120K112-R116 VanDerWaalsContact O-CB 3.32Å; K112-R116 WeakPolarHBondContact O-CB 3.46Å; K112-R116 PolarHBondContact O-N 2.89Å; K112-R116 VanDerWaalsContact O-N 3.09Å; V113-R116 WeakPolarHBondContact O-CB 3.33Å; V113-R116 PolarHBondContact O-N 2.99Å; V113-R116 VanDerWaalsContact O-N 3.16Å; A114-R116 VanDerWaalsContact C-N 3.33Å; A114-R116 PolarHBondContact O-N 3.18Å; R116-G119 WeakPolarHBondContact O-CA 3.49Å; R116-G119 PolarHBondContact O-N 2.92Å; R116-G119 VanDerWaalsContact O-N 3.17Å; R116-I120 PolarHBondContact O-N 3Å
117E98.6Very high97.9Very high128 Ų128117.9 Ų117.960%0.59860%0.597SS**Hα-helixtrans-64.4-50.3-175.8-156.667.3-171.700111.8V113 A114 G119 I120V113-E117 PolarHBondContact O-N 3.11Å; A114-E117 PolarHBondContact O-N 2.8Å; E117-G119 PolarHBondContact O-N 3.14Å; E117-I120 PolarHBondContact O-N 2.73Å
118I98.4Very high97.6Very high103 Ų103118 Ų11853%0.52861%0.611SS.*Hα-helixtrans-65.8-30.6173.4-168.158.8000111.8A114 I120 L121A114-I118 WeakPolarHBondContact O-CG2 3.47Å; A114-I118 PolarHBondContact O-N 3.49Å; I118-I120 VanDerWaalsContact C-N 3.26Å; I118-I120 PolarHBondContact O-N 2.82Å; I118-L121 HydrophobicContact CD1-CD1 4.27Å; I118-L121 WeakPolarHBondContact O-CA 3.49Å; I118-L121 WeakPolarHBondContact O-CB 3.38Å; I118-L121 PolarHBondContact O-N 3.13Å
119G98.4Very high97.4Very high27 Ų27124.4 Ų124.428%0.27863%0.629SS.*Hα-helixtrans-59.3-33178.300000113.7R115 R116 E117 L121 T122R115-G119 WeakPolarHBondContact O-CA 3.42Å; R115-G119 PolarHBondContact O-N 3.34Å; R116-G119 WeakPolarHBondContact O-CA 3.49Å; R116-G119 PolarHBondContact O-N 2.92Å; R116-G119 VanDerWaalsContact O-N 3.17Å; E117-G119 PolarHBondContact O-N 3.14Å; G119-L121 PolarHBondContact O-N 3.44Å; G119-T122 PolarHBondContact O-N 3.11Å; G119-T122 PolarHBondContact O-OG1 2.85Å
120I98.1Very high97.2Very high122 Ų122123.5 Ų123.563%0.62663%0.632SS**THydrogen-bonded Turntrans-59.1-29.4173.5-63.5163.8000111.5R116 E117 I118R116-I120 PolarHBondContact O-N 3Å; E117-I120 PolarHBondContact O-N 2.73Å; I118-I120 VanDerWaalsContact C-N 3.26Å; I118-I120 PolarHBondContact O-N 2.82Å
121L98.3Very high97Very high143 Ų143123.4 Ų123.475%0.74963%0.633SS**THydrogen-bonded Turntrans-91.87.8179-52.8-178.8000113.1I118 G119I118-L121 HydrophobicContact CD1-CD1 4.27Å; I118-L121 WeakPolarHBondContact O-CA 3.49Å; I118-L121 WeakPolarHBondContact O-CB 3.38Å; I118-L121 PolarHBondContact O-N 3.13Å; G119-L121 PolarHBondContact O-N 3.44Å
122T97.9Very high96.8Very high100 Ų100129.8 Ų129.861%0.61366%0.66SS**  trans-107.6154.6-179.767.40000113.3G119G119-T122 PolarHBondContact O-N 3.11Å; G119-T122 PolarHBondContact O-OG1 2.85Å
123T97.3Very high96.5Very high137 Ų137130.3 Ų130.384%0.8467%0.667SS**  trans-141.2163.4165.7-171.90000109.3K125T123-K125 PolarHBondContact O-N 3.18Å
124N96.6Very high96.3Very high137 Ų137133 Ų13373%0.73368%0.678SS**  trans-66.2122.7-178.7-75.4-37.2000111N126N124-N126 PolarHBondContact O-N 3.26Å; N124-N126 PolarHBondContact O-OD1 3.44Å
125K96.3Very high96Very high186 Ų186133.7 Ų133.781%0.80968%0.684SS**  trans-79.5104.2166.658.7176-172.91770109.4T123 T127T123-K125 PolarHBondContact O-N 3.18Å; K125-T127 HydrophobicContact CD-CG2 4.48Å; K125-T127 HydrophobicContact CG-CG2 4.39Å; K125-T127 PolarHBondContact O-N 2.84Å
126N94.4Very high95.8Very high158 Ų158130 Ų13085%0.84568%0.681SS**  trans-73.560.3178-63.990.5000112.5N124N124-N126 PolarHBondContact O-N 3.26Å; N124-N126 PolarHBondContact O-OD1 3.44Å
127T94.6Very high95.5Very high116 Ų116128.4 Ų128.471%0.71269%0.692SS**  trans-86.2116175.8-1760000110.6K125K125-T127 HydrophobicContact CD-CG2 4.48Å; K125-T127 HydrophobicContact CG-CG2 4.39Å; K125-T127 PolarHBondContact O-N 2.84Å
128A93.3Very high95.3Very high93 Ų93128.9 Ų128.977%0.76970%0.698SS**  trans-107.4128.5175.400000110
129R94.6Very high94.9Very high223 Ų223130 Ų13084%0.84271%0.705SS**  trans-89110.1174.8-173.1178.4-176-87.37.4109.6
130T93.8Very high94.7Very high100 Ų100137.3 Ų137.361%0.61373%0.732SS**  trans-106.1161.6175.9-168.60000112.1
131H94.8Very high94.4Very high135 Ų135141.6 Ų141.663%0.62574%0.74SS**  trans-77.8141.4171.1-73.8-111.5000110I133 I134H131-I133 PolarHBondContact O-N 3.49Å; H131-I133 VanDerWaalsContact O-N 3.17Å; H131-I134 HydrophobicContact CB-CG1 4.21Å
132K94.5Very high94.2Very high218 Ų218141.2 Ų141.295%0.94875%0.746SS**SBendtrans-58.8-28.2179.1-67.6-173.5178-176.50113.4
133I93.3Very high94Very high148 Ų148142.9 Ų142.976%0.75976%0.756SS**  trans-134.3125173.7-57.4175.6000106.1H131H131-I133 PolarHBondContact O-N 3.49Å; H131-I133 VanDerWaalsContact O-N 3.17Å
134I94.3Very high93.8Very high123 Ų123145.8 Ų145.863%0.63175%0.751SS**  trans-109.4110.3166.7-62171.4000105.8H131H131-I134 HydrophobicContact CB-CG1 4.21Å
135A92.7Very high93.8Very high66 Ų66148 Ų14855%0.54575%0.751SS.*  trans-70.4140.7173.300000109.7L139A135-L139 HydrophobicContact CB-CD2 4.36Å
136P93.1Very high93.6Very high89 Ų89144 Ų14458%0.57874%0.737SS**  trans-65.5141176.127.9-34000110.5N138 L139P136-N138 CarbonylContact O-C 3.52Å; P136-N138 PolarHBondContact O-N 3.26Å; P136-L139 HydrophobicContact CG-CD2 4.32Å
137T92.6Very high93.5Very high145 Ų145146.9 Ų146.989%0.8974%0.736SS**SBendtrans-54.3-31.5-177-41.70000113.3
138N93.4Very high93.4Very high137 Ų137150 Ų15073%0.73374%0.74SS**SBendtrans-109.8107169.2-66.8-71000108.6P136P136-N138 CarbonylContact O-C 3.52Å; P136-N138 PolarHBondContact O-N 3.26Å
139L91.3Very high93.3Very high128 Ų128151 Ų15167%0.6774%0.739SS**PPolyproline II helixtrans-68.4143167.8-61.8178.2000109.8A135 P136 R141A135-L139 HydrophobicContact CB-CD2 4.36Å; P136-L139 HydrophobicContact CG-CD2 4.32Å; L139-R141 PolarHBondContact O-N 3.01Å
140E93.1Very high93.2Very high180 Ų180146.6 Ų146.684%0.84173%0.73SS**PPolyproline II helixtrans-60.6130.5176.2-169.5-179.5160.100110.4P142E140-P142 WeakPolarHBondContact O-CD 3.42Å
141R92.3Very high92.9Very high212 Ų212146.5 Ų146.580%0.873%0.726SS**PPolyproline II helixtrans-83121.6-178-65.4-178.2-179.2177.90.9109.3L139 V143L139-R141 PolarHBondContact O-N 3.01Å; R141-V143 PolarHBondContact O-N 2.9Å
142P93.3Very high92.7Very high135 Ų135148.8 Ų148.888%0.87773%0.731SS**  trans-57109.2-179.9-27.436.1000112.5E140 R144E140-P142 WeakPolarHBondContact O-CD 3.42Å; P142-R144 PolarHBondContact O-N 3.1Å
143V94Very high92.4Very high134 Ų134142.5 Ų142.581%0.81271%0.707SS**  trans-78.6115.8-178.9-1770000109.4R141 Y145R141-V143 PolarHBondContact O-N 2.9Å; V143-Y145 PolarHBondContact O-N 2.76Å
144R94.6Very high92.3Very high199 Ų199140.5 Ų140.575%0.75170%0.702SS**  trans-66.5121.5176.1-176.2174.166.8100.9-1.9110.2P142P142-R144 PolarHBondContact O-N 3.1Å
145Y94.8Very high92.2Very high183 Ų183140.1 Ų140.172%0.71870%0.7SS**  trans-57.7136.5173.2176.3-106000111.8V143 R147V143-Y145 PolarHBondContact O-N 2.76Å; Y145-R147 HydrophobicContact CE1-CG 3.56Å
146I92Very high91.9Very high103 Ų103138.1 Ų138.153%0.52868%0.68SS.*  trans-132.6125175.8-62.8174.3000107.3K148I146-K148 PolarHBondContact O-N 3.12Å
147R92.9Very high91.7Very high217 Ų217140.4 Ų140.482%0.81969%0.688SS**  trans-67.3112.6172.1-64.4-177.271.6-141.81.2109Y145Y145-R147 HydrophobicContact CE1-CG 3.56Å
148K92.9Very high91.6Very high181 Ų181138.5 Ų138.579%0.78768%0.676SS**PPolyproline II helixtrans-99.6148.4162.8-63.5-173.9179.3-1750108.8I146I146-K148 PolarHBondContact O-N 3.12Å
149P90.6Very high91.4Very high115 Ų115135.3 Ų135.375%0.74768%0.675SS**PPolyproline II helixtrans-64.1167.8164.930.9-35.1000110.3D151P149-D151 PolarHBondContact O-N 2.75Å
150I92.1Very high91.1Very high130 Ų130138.5 Ų138.567%0.66769%0.686SS**PPolyproline II helixtrans-67.6119.7170.1-58.7174.8000107.5Y152I150-Y152 HydrophobicContact CG2-CD1 4.03Å; I150-Y152 HydrophobicContact CG2-CD2 4.37Å; I150-Y152 HydrophobicContact CG2-CE1 3.64Å; I150-Y152 HydrophobicContact CG2-CE2 4.02Å; I150-Y152 HydrophobicContact CG2-CG 4.37Å
151D89.3Confident90.5Very high98 Ų98131.5 Ų131.552%0.52466%0.662SS.*  trans-103.7104.8174.7-174.2-10.3000107.9P149 N153 V154P149-D151 PolarHBondContact O-N 2.75Å; D151-N153 PolarHBondContact O-N 2.75Å; D151-N153 PolarHBondContact OD1-N 2.84Å; D151-V154 HydrophobicContact CB-CB 4.47Å; D151-V154 WeakPolarHBondContact O-CG1 3.49Å
152Y88.6Confident89.9Confident184 Ų184127.9 Ų127.972%0.72266%0.664SS**THydrogen-bonded Turntrans-73.4-17.2-179.6-66-70.9000112.5I150I150-Y152 HydrophobicContact CG2-CD1 4.03Å; I150-Y152 HydrophobicContact CG2-CD2 4.37Å; I150-Y152 HydrophobicContact CG2-CE1 3.64Å; I150-Y152 HydrophobicContact CG2-CE2 4.02Å; I150-Y152 HydrophobicContact CG2-CG 4.37Å
153N89.1Confident89.3Confident85 Ų85126.2 Ų126.246%0.45564%0.643SS.*THydrogen-bonded Turntrans-91.5-2.1-174.2-56.215.2000111.8D151 L155 D156D151-N153 PolarHBondContact O-N 2.75Å; D151-N153 PolarHBondContact OD1-N 2.84Å; N153-L155 PolarHBondContact O-N 3.14Å; N153-D156 VanDerWaalsContact O-CB 3.31Å; N153-D156 WeakPolarHBondContact O-CB 3.44Å; N153-D156 PolarHBondContact O-N 3.01Å
154V92.1Very high88.1Confident106 Ų106127.9 Ų127.964%0.64264%0.641SS**THydrogen-bonded Turntrans-63.2-10-176.778.20000114.1D151D151-V154 HydrophobicContact CB-CB 4.47Å; D151-V154 WeakPolarHBondContact O-CG1 3.49Å
155L90.8Very high86.3Confident115 Ų115127.4 Ų127.460%0.60265%0.648SS**THydrogen-bonded Turntrans-116.34.4175.2-58.4179000113.4N153 D157 V158N153-L155 PolarHBondContact O-N 3.14Å; L155-D157 PolarHBondContact O-N 3.29Å; L155-D157 VanDerWaalsContact O-N 3.14Å; L155-V158 HydrophobicContact CD2-CG2 4.14Å; L155-V158 WeakPolarHBondContact O-CB 3.45Å; L155-V158 PolarHBondContact O-N 3.29Å
156D87.9Confident84.3Confident24 Ų24121.7 Ų121.713%0.12864%0.644CS.*THydrogen-bonded Turntrans-61.9-23.5-176.6-85.912.5000113.8N153 G161 K163N153-D156 VanDerWaalsContact O-CB 3.31Å; N153-D156 WeakPolarHBondContact O-CB 3.44Å; N153-D156 PolarHBondContact O-N 3.01Å; D156-G161 WeakPolarHBondContact O-CA 3.41Å; D156-K163 HydrophobicContact CB-CD 4.16Å; D156-K163 HydrophobicContact CB-CG 4.12Å; D156-K163 WeakPolarHBondContact OD2-CG 3.43Å
157D88.5Confident82Confident137 Ų137124.1 Ų124.173%0.73366%0.658SS**THydrogen-bonded Turntrans-101.78.5177.2-64.9-58.4000112.7L155 K163L155-D157 PolarHBondContact O-N 3.29Å; L155-D157 VanDerWaalsContact O-N 3.14Å; D157-K163 VanDerWaalsContact CG-NZ 3.3Å; D157-K163 IonicContact OD1-NZ 2.65Å; D157-K163 PolarHBondContact OD1-NZ 3.32Å; D157-K163 IonicContact OD2-NZ 3.37Å; D157-K163 PolarHBondContact OD2-NZ 2.98Å
158V90.4Very high80.2Confident105 Ų105121.9 Ų121.964%0.63666%0.662SS**THydrogen-bonded Turntrans-103.493.3179.1-176.10000110L155L155-V158 HydrophobicContact CD2-CG2 4.14Å; L155-V158 WeakPolarHBondContact O-CB 3.45Å; L155-V158 PolarHBondContact O-N 3.29Å
159G88.8Confident78Confident70 Ų70121 Ų12172%0.72266%0.661SS**THydrogen-bonded Turntrans84.3-126.3-178.400000112.1
160H84.8Confident76.3Confident195 Ų195120.5 Ų120.590%0.90367%0.667SS**THydrogen-bonded Turntrans-105.965.6-179.6-6494.2000110.5
161G81.2Confident74.1Confident33 Ų33120.7 Ų120.734%0.3467%0.674SS.*  trans-67.1146-178.500000113.6D156D156-G161 WeakPolarHBondContact O-CA 3.41Å
162V78.7Confident72.4Confident136 Ų136127.7 Ų127.782%0.82469%0.693SS**  trans-108.787.7-175.1-177.80000109.7Q164V162-Q164 PolarHBondContact O-N 3.29Å
163K81.2Confident70.2Confident100 Ų100123.4 Ų123.444%0.43570%0.696SS.*  trans-69.3124-172.3-46.5-151.7179.6-151.50111.6D156 D157 H165D156-K163 HydrophobicContact CB-CD 4.16Å; D156-K163 HydrophobicContact CB-CG 4.12Å; D156-K163 WeakPolarHBondContact OD2-CG 3.43Å; D157-K163 VanDerWaalsContact CG-NZ 3.3Å; D157-K163 IonicContact OD1-NZ 2.65Å; D157-K163 PolarHBondContact OD1-NZ 3.32Å; D157-K163 IonicContact OD2-NZ 3.37Å; D157-K163 PolarHBondContact OD2-NZ 2.98Å; K163-H165 PolarHBondContact O-N 3.01Å
164Q69.6Low68Low169 Ų169123 Ų12379%0.7971%0.711SS**  trans-68.295.6-175.2-169.9177.628.500112.6V162 G166V162-Q164 PolarHBondContact O-N 3.29Å; Q164-G166 PolarHBondContact O-N 3.38Å
165H56.5Low65.8Low190 Ų190124.7 Ų124.788%0.8872%0.722SS**  trans-81.3101173.4-95.252.2000111.7K163K163-H165 PolarHBondContact O-N 3.01Å
166G52.6Low63.7Low63 Ų63127.4 Ų127.465%0.64974%0.736SS**  trans162.4125.2163.800000117.1Q164Q164-G166 PolarHBondContact O-N 3.38Å
167N43.3Very low61.6Low154 Ų154131.6 Ų131.682%0.82477%0.767SS**  trans57.4116.4164.4-87.9-4.3000120.5Q169N167-Q169 PolarHBondContact O-N 3.22Å
168N55Low59.7Low169 Ų169135.6 Ų135.690%0.90477%0.772SS**  trans-62.3111.9153.7-80.6-64.5000110.9
169Q46.9Very low57.5Low163 Ų163136.9 Ų136.976%0.76278%0.78SS**  trans-129.3118.7150-73.2-162.6-200109.7N167 V171N167-Q169 PolarHBondContact O-N 3.22Å; Q169-V171 PolarHBondContact O-N 2.78Å
170A54.1Low55.5Low104 Ų104139.2 Ų139.286%0.8678%0.776SS**  trans-73.787.8177.800000110.2R172A170-R172 PolarHBondContact O-N 3.47Å
171V47.2Very low53.8Low135 Ų135135.3 Ų135.382%0.81877%0.768SS**  trans-60.3112.3174.1179.20000108.8Q169 A173Q169-V171 PolarHBondContact O-N 2.78Å; V171-A173 PolarHBondContact O-N 2.88Å
172R53.1Low52.3Low244 Ų244139.5 Ų139.592%0.92179%0.79SS**  trans-64.489.4177.3-80.7177.8162.1175.5-5.6111A170A170-R172 PolarHBondContact O-N 3.47Å
173A42.7Very low51Low95 Ų95139.2 Ų139.279%0.78579%0.789SS**  trans-63.3133.8155.800000108.9V171V171-A173 PolarHBondContact O-N 2.88Å
174G43Very low49.5Very low75 Ų75143.9 Ų143.977%0.77381%0.812SS**  trans-63.2144.2-168.100000114.5L176G174-L176 PolarHBondContact O-N 3.11Å
175T45.4Very low48.5Very low143 Ų143144.5 Ų144.588%0.87781%0.812SS**  trans-67.5110.4173.648.30000111.1
176L45.8Very low48.2Very low171 Ų171140.9 Ų140.990%0.89581%0.805SS**  trans-117.2143156.4-73.1177.1000109.3G174G174-L176 PolarHBondContact O-N 3.11Å
177S44Very low48.1Very low112 Ų112144 Ų14478%0.78381%0.814SS**  trans-70.1143.3-151.7-58.50000115.2T179S177-T179 PolarHBondContact O-N 3.21Å
178R49.2Very low48.2Very low221 Ų221141.9 Ų141.983%0.83481%0.811SS**  trans-44.9104.1162.7174.6-174.5125.8-132.51.6111.2
179T44.9Very low48Very low132 Ų132139.1 Ų139.181%0.8180%0.802SS**PPolyproline II helixtrans-89138.2160.448.60000109.1S177S177-T179 PolarHBondContact O-N 3.21Å
180N45.7Very low47.9Very low119 Ų119137.6 Ų137.664%0.63681%0.807SS**PPolyproline II helixtrans-66.9152.6-178.5-72-22.1000111
181P49.2Very low47.3Very low113 Ų113141.1 Ų141.173%0.73481%0.807SS**PPolyproline II helixtrans-61.1135.3176.326-34.6000110.7
182P49.6Very low47.5Very low122 Ų122141 Ų14179%0.79281%0.812SS**PPolyproline II helixtrans-64.2142.4171.828-33.8000109.9
183T52.9Low46.7Very low130 Ų130132.8 Ų132.880%0.79880%0.804SS**PPolyproline II helixtrans-67.5145.5-175.3430000112.2K185T183-K185 PolarHBondContact O-N 3.01Å
184Q48.7Very low46.7Very low198 Ų198140.8 Ų140.893%0.92581%0.814SS**SBendtrans-73.788175.1-64.7-175.227.200110.8
185K49.6Very low46.4Very low182 Ų182140.9 Ų140.979%0.79181%0.814SS**  trans-137.5135.5155.4-73.5-166175.6-1750109.8T183T183-K185 PolarHBondContact O-N 3.01Å
186P48.2Very low46.2Very low114 Ų114140.2 Ų140.274%0.7481%0.81SS**PPolyproline II helixtrans-65.1150.7164.430.7-34.1000109.4S188P186-S188 PolarHBondContact O-N 3.34Å
187P51.8Low46Very low129 Ų129140.4 Ų140.484%0.83881%0.811SS**PPolyproline II helixtrans-66.5122.3172.727.9-33000109.9
188S44.9Very low45.6Very low109 Ų109139 Ų13976%0.76282%0.815SS**PPolyproline II helixtrans-63.5147.7169.6-57.30000110.6P186P186-S188 PolarHBondContact O-N 3.34Å
189P50Low45.5Very low110 Ų110139.4 Ų139.471%0.71482%0.817SS**PPolyproline II helixtrans-63.5151.4172.728.5-35.2000111M191P189-M191 PolarHBondContact O-N 2.91Å
190P46.7Very low45.4Very low131 Ų131139.6 Ų139.685%0.85181%0.813SS**PPolyproline II helixtrans-67.6118.2179.727.3-33.7000111.2
191M41.4Very low45.1Very low178 Ų178140.2 Ų140.288%0.87782%0.821SS**PPolyproline II helixtrans-63.6141.4164.7-81.8-77.4-166.300110.3P189 G193P189-M191 PolarHBondContact O-N 2.91Å; M191-G193 PolarHBondContact O-N 3.04Å
192S49.8Very low45.2Very low132 Ų132140.7 Ų140.792%0.92382%0.824SS**  trans-72.481.7177320000112
193G37Very low44.7Very low72 Ų72144.9 Ų144.974%0.74283%0.826SS**  trans-95115.6179.500000114.1M191 G195M191-G193 PolarHBondContact O-N 3.04Å; G193-G195 PolarHBondContact O-N 3.41Å
194R42.7Very low44.3Very low264 Ų264147.6 Ų147.6100%0.99683%0.826SS**  trans-75.5111.4174.6178.4-175.3-178.2-170.72.3110.5
195G36.3Very low44.2Very low76 Ų76144.4 Ų144.478%0.78482%0.82SS**  trans-151.8132.6-177.100000114.4G193G193-G195 PolarHBondContact O-N 3.41Å
196T42.8Very low44.4Very low129 Ų129142.6 Ų142.679%0.79182%0.818SS**  trans-89.4152.4-169.8430000115.7
197L41.3Very low44.6Very low175 Ų175145.5 Ų145.592%0.91682%0.822SS**  trans60.6122161-84.879.3000118.8
198G35.4Very low44.9Very low84 Ų84145.3 Ų145.387%0.86682%0.821SS**  trans-178.3132.6165.100000109.6
199R45.6Very low45.5Very low229 Ų229146.9 Ų146.986%0.86483%0.826SS**  trans-114.7157.1-168.3-151.6-178.4-157.4-142.67.9111.9
200N43.3Very low46Very low136 Ų136150.5 Ų150.573%0.72783%0.83SS**  trans55.999.6162.650.9-107000119.9
201T41Very low46.3Very low131 Ų131149.5 Ų149.580%0.80482%0.824SS**  trans-126.2145.4145.354.80000109.8Y203T201-Y203 PolarHBondContact O-N 2.99Å
202P49.8Very low47Very low123 Ų123147.1 Ų147.180%0.79982%0.821SS**SBendtrans-97.145.7-166.439.2-38.2000114.5
203Y38.7Very low47.7Very low211 Ų211147.2 Ų147.283%0.82782%0.817SS**  trans-124.294.9170.3-83.7-84.1000110.5T201 T205T201-Y203 PolarHBondContact O-N 2.99Å; Y203-T205 PolarHBondContact O-N 3.12Å
204K45.3Very low48.5Very low186 Ų186149.2 Ų149.281%0.80981%0.814SS**  trans-82.293.1178.1-173.3-179.4-177.6-177.80109.7L206K204-L206 PolarHBondContact O-N 3.32Å
205T47.5Very low49.1Very low131 Ų131141.1 Ų141.180%0.80480%0.796SS**PPolyproline II helixtrans-54.2125.1161.8-45.10000108Y203Y203-T205 PolarHBondContact O-N 3.12Å
206L52.4Low49.9Very low144 Ų144145 Ų14575%0.75480%0.799SS**PPolyproline II helixtrans-68.3139.2176.8-63.2177000109.3K204K204-L206 PolarHBondContact O-N 3.32Å
207E53Low50.1Low175 Ų175145.7 Ų145.782%0.81880%0.798SS**PPolyproline II helixtrans-64143.9173.5-67.6-172.316800110.1V209E207-V209 PolarHBondContact O-N 3.05Å; E207-V209 VanDerWaalsContact O-N 3.1Å
208P57.5Low50.5Low126 Ų126147.7 Ų147.782%0.81879%0.794SS**PPolyproline II helixtrans-58.1116.9175.8-24.534.7000111.2K210P208-K210 PolarHBondContact O-N 2.95Å
209V58.3Low50.7Low141 Ų141151.6 Ų151.686%0.85579%0.792SS**PPolyproline II helixtrans-60.2122.4174.21800000108.4E207E207-V209 PolarHBondContact O-N 3.05Å; E207-V209 VanDerWaalsContact O-N 3.1Å
210K61.2Low50.5Low187 Ų187146.9 Ų146.981%0.81379%0.789SS**PPolyproline II helixtrans-59.8139176.2-77.8-176175.6178.80110P208P208-K210 PolarHBondContact O-N 2.95Å
211P52.1Low50.1Low109 Ų109145.3 Ų145.371%0.70879%0.789SS**PPolyproline II helixtrans-61.4150.917128.4-34.8000110.2T213P211-T213 PolarHBondContact O-N 3.46Å
212P56.7Low50Low128 Ų128145.5 Ų145.583%0.83179%0.792SS**PPolyproline II helixtrans-66.9124.7-177.426.9-34.2000111.4
213T63Low49.3Very low134 Ų134143.6 Ų143.682%0.82279%0.787SS**PPolyproline II helixtrans-81.6128.3169.3-46.10000109.4P211P211-T213 PolarHBondContact O-N 3.46Å
214V53.7Low49.3Very low114 Ų114145.4 Ų145.469%0.69179%0.792SS**PPolyproline II helixtrans-79.6136.1170.7-171.90000108.8
215P55.5Low48.7Very low94 Ų94145.2 Ų145.261%0.6180%0.799SS**PPolyproline II helixtrans-58.4146.2171.6-24.635.1000112.3D217P215-D217 PolarHBondContact O-N 3.12Å
216N53.4Low47.9Very low159 Ų159141.8 Ų141.885%0.8579%0.79SS**G310 helixtrans-73.3-6.6-173.9-76-41.6000114.2Y218N216-Y218 PolarHBondContact O-N 3.27Å
217D47.9Very low47.1Very low143 Ų143140.5 Ų140.577%0.76579%0.793SS**G310 helixtrans-767-169.1-45.9-71.4000114.4P215P215-D217 PolarHBondContact O-N 3.12Å
218Y48.4Very low46.2Very low216 Ų216140.9 Ų140.985%0.84780%0.795SS**G310 helixtrans-123.643.7-179.9-96.3-86.9000113.9N216N216-Y218 PolarHBondContact O-N 3.27Å
219M40Very low45.1Very low166 Ų166143.8 Ų143.882%0.81880%0.797SS**  trans-123.699.4153.4-87.8-150.769.200111.4S221M219-S221 PolarHBondContact O-N 3.38Å
220T41.8Very low43.8Very low130 Ų130140.3 Ų140.380%0.79879%0.79SS**  trans-69.7112.5172.8-51.80000110.6P222T220-P222 WeakPolarHBondContact O-CD 3.47Å
221S34.7Very low42.6Very low103 Ų103139.5 Ų139.572%0.7279%0.789SS**  trans-65.6121.2175.7-55.40000112M219 A223M219-S221 PolarHBondContact O-N 3.38Å; S221-A223 VanDerWaalsContact C-N 3.29Å; S221-A223 PolarHBondContact O-N 2.91Å
222P39.5Very low41.8Very low135 Ų135141.3 Ų141.388%0.87779%0.788SS**  trans-83.467.1179.234.6-35.3000111.5T220T220-P222 WeakPolarHBondContact O-CD 3.47Å
223A34.8Very low40.7Very low83 Ų83141.4 Ų141.469%0.68678%0.782SS**  trans-151.445-172.300000116.6S221S221-A223 VanDerWaalsContact C-N 3.29Å; S221-A223 PolarHBondContact O-N 2.91Å
224R38Very low39.3Very low249 Ų249140.5 Ų140.594%0.9478%0.78SS**  trans-152.398.8156.1-81.2-154.4-179.2-108.1-4.7113.3
225L33.7Very low39Very low182 Ų182141.4 Ų141.495%0.95379%0.789SS**  trans-162.5141.3148.5-112.9164.9000108
226G30.6Very low38Very low60 Ų60140.6 Ų140.662%0.61980%0.798SS**  trans-115.1163.2-175.600000113.2
227S36Very low37.3Very low117 Ų117144.5 Ų144.582%0.81880%0.8SS**  trans56.394.4160.2-57.80000118.3
228Q33.2Very low36.7Very low183 Ų183144.4 Ų144.486%0.85581%0.805SS**  -173.3145115.4-103173.262.700113.9
229H34.9Very low35.9Very low186 Ų186139 Ų13986%0.86181%0.805SS**  trans34.3128.4151.4-86.284.4000122.1
230G31.2Very low35.7Very low68 Ų68136.5 Ų136.570%0.70180%0.804SS**  120.993.9118.200000120
231Q34.6Very low35.4Very low170 Ų170137.5 Ų137.579%0.79480%0.804SS**  trans60.3134141.7-75.3-165.918.600123.2
232Q35.6Very low35.4Very low147 Ų147140.3 Ų140.369%0.68781%0.81SS**  trans86.8119.1143.7-73.7179.966.400122.3
233N34.1Very low35Very low131 Ų131142 Ų14270%0.70181%0.807SS**  trans79.699.2136-61-8.6000122.7
234S33.9Very low34.9Very low114 Ų114149.6 Ų149.680%0.79782%0.818SS**  89.5141.4127.3-58.90000120.2
235P46.8Very low34.7Very low134 Ų134143.5 Ų143.587%0.8781%0.81SS**  trans-94.6146.2-166.836.7-36.1000115.1
236G34.6Very low34.5Very low77 Ų77146.5 Ų146.579%0.79481%0.809SS**  trans-120.5130.8174.700000112.9
237R38Very low34.6Very low241 Ų241150.3 Ų150.391%0.90982%0.821SS**  trans-59.2148.1177-62.5166.4162.7176.9-5.8113.1
238T36.3Very low34.3Very low141 Ų141153.7 Ų153.787%0.86582%0.823SS**  -167.9143.310526.30000112
239A32.4Very low34.1Very low103 Ų103151.1 Ų151.185%0.85183%0.826SS**  trans-96.7141.4172.600000111.5
240S35.8Very low33.9Very low113 Ų113145.5 Ų145.579%0.7982%0.818SS**  trans-99.8108.9-175.6-65.90000112N242S240-N242 PolarHBondContact O-N 3.34Å
241L33.8Very low33.8Very low151 Ų151148.6 Ų148.679%0.79183%0.828SS**  trans-8695-177.2-171.974.8000112Q243L241-Q243 PolarHBondContact O-N 3.09Å
242N34.6Very low33.7Very low161 Ų161146.3 Ų146.386%0.86183%0.832SS**PPolyproline II helixtrans-68.7123.5175.8-85.2-28.1000112.3S240S240-N242 PolarHBondContact O-N 3.34Å
243Q31.1Very low33.4Very low172 Ų172143.3 Ų143.380%0.80484%0.84SS**PPolyproline II helixtrans-101120.4173.5-77.8170.373.600110.5L241L241-Q243 PolarHBondContact O-N 3.09Å
244R32.9Very low33.2Very low241 Ų241140.9 Ų140.991%0.90985%0.846SS**PPolyproline II helixtrans-96.5131.2175.9-155.4177.6-169.4-167.44110.1
245P33.8Very low33.1Very low121 Ų121142 Ų14279%0.78685%0.854SS**PPolyproline II helixtrans-68.4139.9177.3-17.831.2000112
246R30.8Very low32.2Very low245 Ų245139.4 Ų139.493%0.92585%0.851SS**PPolyproline II helixtrans-98.9133.6165.3-76.7-171.9174.6-174-1.6110.2
247T31.4Very low32Very low141 Ų141141.6 Ų141.687%0.86585%0.854SS**PPolyproline II helixtrans-87.4157.3170.142.70000111
248H31.4Very low31.7Very low187 Ų187141.6 Ų141.687%0.86685%0.854SS**PPolyproline II helixtrans-96.5141.6177.8-69.7-85.1000112
249S29Very low31.3Very low130 Ų130144.4 Ų144.491%0.90986%0.858SS**  trans-142.1161157.7-74.60000108
250G29.5Very low31.2Very low68 Ų68146.4 Ų146.470%0.70185%0.854SS**  trans-155-163.5-171.800000114.7
251S29.1Very low31Very low132 Ų132146 Ų14692%0.92385%0.851SS**  trans72.5150.1-158.4-61.10000113.2
252S33.3Very low30.9Very low123 Ų123142.3 Ų142.386%0.8685%0.85SS**  cis-135.6166.5-3.145.60000110.6
253G29.3Very low30.9Very low84 Ų84140.9 Ų140.987%0.86685%0.853SS**  trans-105.3168.3-170.600000115.8
254G29.2Very low31Very low80 Ų80138.5 Ų138.583%0.82586%0.855SS**  trans-145.8146.7168.500000110.3
255S31.3Very low31.3Very low137 Ų137134.6 Ų134.696%0.95885%0.85SS**  trans-106.8138-168.6-58.50000112.6
256G27.9Very low31.3Very low79 Ų79134.7 Ų134.781%0.81485%0.851SS**  trans-158.9134.717600000112.8
257S31.1Very low31.4Very low123 Ų123131 Ų13186%0.8685%0.848SS**  trans-42.2144.3-168.5-52.60000119
258R31Very low31.4Very low241 Ų241128.6 Ų128.691%0.90984%0.842SS**  trans-59.7150.3148.3-75.9169.2152.6158.1-9.1109.8
259E29.8Very low31.4Very low201 Ų201126.3 Ų126.394%0.93984%0.841SS**  -150171.6123.9-79.9-131.2117.900110.1
260N29.2Very low31.7Very low144 Ų144125.6 Ų125.677%0.7783%0.834SS**  trans-89141.4-158.3160.964.9000115.5
261S31.7Very low31.8Very low105 Ų105128.6 Ų128.673%0.73484%0.838SS**  168.8150.8127.4-78.70000115.8
262G31.3Very low32.1Very low74 Ų74128 Ų12876%0.76383%0.831SS**  trans94.2100.1139.600000119.4
263S35.8Very low31.9Very low131 Ų131127.8 Ų127.892%0.91683%0.83SS**  trans-83.3141162.3-58.40000111.5
264S32.3Very low32.2Very low122 Ų122131.6 Ų131.685%0.85383%0.828SS**  trans-137.5130.5173.4-68.60000112.4
265I39.1Very low32.5Very low159 Ų159133.5 Ų133.582%0.81583%0.826SS**  trans-118139.5169.1-71.5178.9000106.8
266P34.9Very low32.6Very low123 Ų123134.9 Ų134.980%0.79982%0.823SS**  trans-77148.3-166.930.3-36.9000114
267I32.1Very low32.9Very low167 Ų167136.7 Ų136.786%0.85682%0.823SS**  trans-129.3150.6168.4-66.6-177.3000108.6
268A30.5Very low32.9Very low91 Ų91134.1 Ų134.175%0.75282%0.816SS**PPolyproline II helixtrans-74.2157.5-163.700000115.8
269V31.7Very low33.4Very low139 Ų139129 Ų12984%0.84281%0.814SS**PPolyproline II helixtrans-92.6127.6176.3-179.90000110.6
270P35.7Very low33.5Very low115 Ų115126 Ų12675%0.74781%0.81SS**PPolyproline II helixtrans-83.1156.4171.2-10.828.5000113.8
271T31.6Very low33.7Very low130 Ų130126 Ų12680%0.79881%0.814SS**PPolyproline II helixtrans-63.5141.2177-42.80000112.9
272P34.5Very low33.8Very low120 Ų120125.9 Ų125.978%0.77982%0.819SS**PPolyproline II helixtrans-76.1150175.131.5-35.9000113.2
273S30.7Very low33.7Very low118 Ų118128.3 Ų128.383%0.82583%0.825SS**  trans-126.8158175.7-770000111.9
274I34.1Very low33.5Very low164 Ų164125.6 Ų125.684%0.84182%0.817SS**  trans-68.1138.8-169.3-62.6162.6000112.3
275P35.6Very low34.2Very low120 Ų120126.4 Ų126.478%0.77982%0.82SS**  trans-81.9141.9171.333.4-34.1000112.3
276N34.6Very low33.7Very low166 Ų166122.2 Ų122.289%0.88882%0.815SS**  trans-139.8130.5158.9-173.938.9000108.9
277S32.7Very low33.6Very low118 Ų118125.1 Ų125.183%0.82582%0.823SS**  trans-110.9123.7-170.846.10000112.2
278G32.6Very low33.5Very low69 Ų69120.8 Ų120.871%0.71182%0.82SS**  trans-142.1135.7172.200000110.3
279P41.7Very low34.2Very low134 Ų134122.4 Ų122.487%0.8782%0.823SS**  trans-85.7143.1-167.631.9-35.1000115.5
280V30.8Very low34Very low138 Ų138120.3 Ų120.384%0.83682%0.82SS**  trans-37.7138.9166.7-178.60000116
281V34Very low35Very low144 Ų144120.3 Ų120.387%0.87382%0.82SS**  trans-151.7156.4138.4-106.70000112.9
282A32.7Very low34.9Very low101 Ų101120.3 Ų120.384%0.83582%0.82SS**  trans-58.8174.2-164.400000119.6
283S29.6Very low34.8Very low125 Ų125118.9 Ų118.987%0.87481%0.813SS**  trans-116.4125.8-170.8-560000115.7
284G31.2Very low34.9Very low74 Ų74119.9 Ų119.976%0.76380%0.804SS**  trans76.8-177.6150.700000118.6
285P46.9Very low34.7Very low140 Ų140121 Ų12191%0.90980%0.803SS**  cis-132.1166.3-9.140.4-25.9000115.1
286G29.5Very low34.5Very low70 Ų70117.8 Ų117.872%0.72279%0.792SS**  trans137.7119.9148.500000120.1
287L32.9Very low34.4Very low184 Ų184116.6 Ų116.696%0.96379%0.791SS**  trans56.4129.6137.9-52.2177000122.5
288G29.8Very low34.5Very low77 Ų77118.2 Ų118.279%0.79479%0.789SS**  trans115.9138.7142.800000117.4
289P45.1Very low34.5Very low125 Ų125118.4 Ų118.481%0.81278%0.779SS**  trans-121.1138.2-176.938.4-25.9000116.9
290A28.4Very low34.2Very low95 Ų95121.8 Ų121.879%0.78578%0.775SS**  trans63.7171.2151.200000119.2
291P55.2Low34.3Very low114 Ų114121.5 Ų121.574%0.7476%0.764SS**  cis-123.2-136.1-45.236-18.8000111.2
292V30.6Very low34.3Very low130 Ų130121.4 Ų121.479%0.78876%0.757SS**  trans63.8133.7-178.4-65.20000116.7
293S31.7Very low34.1Very low91 Ų91120.6 Ų120.664%0.63675%0.746SS**  71.9139.460.9-128.30000112.6
294Q32.4Very low34.2Very low138 Ų138124.5 Ų124.565%0.64574%0.741SS**  cis-165.7163.313-151.7159.3-46.300112
295F30.6Very low34.4Very low187 Ų187128.3 Ų128.382%0.8274%0.739SS**  trans64.3154.9167.1-60.1-66.7000118.7
296G31Very low33.6Very low53 Ų53128.3 Ų128.355%0.54673%0.731SS.*  cis160169.8-12.300000114.9
297T33.8Very low34.6Very low141 Ų141129.9 Ų129.987%0.86573%0.729SS**  trans70.4153.4173.383.40000114.3
298I34.6Very low34.5Very low153 Ų153126 Ų12679%0.78572%0.717SS**  cis-162.4160.7-4.9-125.4-179.7000106.9
299S31.2Very low34.4Very low72 Ų72129.6 Ų129.650%0.50372%0.718SS.*  cis-161.2151.16.3-116.70000111
300R37.1Very low33.6Very low205 Ų205128.7 Ų128.777%0.77472%0.715SS**  trans65.4146.1135.2-67.4-176.7-173-93.4-3.4121.5
301Q32.5Very low33.7Very low132 Ų132130 Ų13062%0.61772%0.718SS**  cis-156.2151-7.9-84.9-122.6-117.300112.7
302I32.7Very low32.6Very low142 Ų142130.7 Ų130.773%0.72872%0.72SS**  trans71.1139140.4-75.3167.5000119.8
303S29.6Very low32.5Very low84 Ų84130 Ų13059%0.58772%0.721SS**  cis-173.9149.1-18.3-165.40000113.3
304R32Very low32.5Very low208 Ų208133.4 Ų133.479%0.78573%0.729SS**  trans68.1149.4157.5-75.6163.3-176.7-141.55.5118.8
305H34.8Very low32.4Very low153 Ų153132.7 Ų132.771%0.70873%0.733SS**  cis-139.4164.41.6-115.9-63.5000112.1
306N30.4Very low32.3Very low140 Ų140128.9 Ų128.975%0.74973%0.73SS**  trans-134.2177.4176-150.630.1000106.5
307P49.5Very low32.4Very low104 Ų104130.8 Ų130.868%0.67574%0.741SS**  cis-121.4-156.37.126.91.4000111.8
308S31.1Very low32.4Very low101 Ų101131.2 Ų131.271%0.70674%0.743SS**  cis-160.8157.623.3-53.30000115.7
309N27.8Very low32.2Very low154 Ų154127.1 Ų127.182%0.82474%0.738SS**  trans44.3103148-7214.6000123
310S29.8Very low32.2Very low106 Ų106129.3 Ų129.374%0.74175%0.749SS**  trans-36.7155.913253.80000117.7
311S29.3Very low31.9Very low122 Ų122128.8 Ų128.885%0.85375%0.748SS**  -154.8166.7129.760.80000111.1
312V31.6Very low31.8Very low129 Ų129132.5 Ų132.578%0.78276%0.757SS**  trans-135.7138.3-167.5-155.80000111.1
313S28.9Very low31.7Very low115 Ų115136.4 Ų136.480%0.80476%0.762SS**  trans-164138157.5-79.80000108.9
314M32.1Very low31.6Very low163 Ų163136.8 Ų136.880%0.80377%0.771SS**  cis112.1135.618.5-75.5-78.9-8500112.4
315V29.6Very low33Very low122 Ų122132.4 Ų132.474%0.73977%0.769SS**  trans79.3101.8160.7177.10000120.1
316S30.1Very low32.9Very low107 Ų107130.3 Ų130.375%0.74877%0.771SS**  59.6109.4124.3-49.70000124.5
317A33.1Very low33.1Very low94 Ų94129.8 Ų129.878%0.77777%0.773SS**  32.2126.5119.800000122.5
318T32.3Very low32.2Very low150 Ų150131.3 Ų131.392%0.9278%0.781SS**  -163.9-178.412012.40000110.8
319G31.5Very low32.4Very low66 Ų66131.3 Ų131.368%0.6878%0.781SS**  trans-78.8-162.4-17600000115.5
320T30.7Very low32.7Very low119 Ų119131 Ų13173%0.7378%0.775SS**  cis-166.3160.59.3-170000112.4
321Y30.5Very low32.8Very low193 Ų193134.3 Ų134.376%0.75778%0.776SS**  trans63.5121.1155.2-65.5-55.3000124.5
322R31.1Very low33Very low210 Ų210133.7 Ų133.779%0.79277%0.772SS**  59.9111.7129.9-66.6-178.4-170-89.84.4123.3
323R30Very low34.2Very low225 Ų225133.1 Ų133.185%0.84977%0.77SS**  64.197.4109-161.7-173-148.2-132.67.8120.7
324A27.9Very low34.3Very low92 Ų92135.2 Ų135.276%0.7677%0.767SS**  42.4166.7117.900000122.5
325P61.7Low34.4Very low116 Ų116133.6 Ų133.675%0.75376%0.76SS**  cis-136.8-174.9-3539-21.8000113.7
326S32.1Very low34.6Very low108 Ų108135.7 Ų135.776%0.75577%0.767SS**  trans169.9128.2140.2-77.10000110.4
327V34.8Very low34.6Very low129 Ų129134.5 Ų134.578%0.78277%0.772SS**  65.7114.974.2-177.60000115.4
328T30.8Very low34.5Very low136 Ų136133.5 Ų133.583%0.83477%0.77SS**  176.5158.1128.5-69.70000109.9
329S35.3Very low34.7Very low102 Ų102132.8 Ų132.871%0.71377%0.766SS**  trans-111.3-174.2-177.165.20000113.1
330Q34.1Very low35.3Very low148 Ų148135.8 Ų135.869%0.69277%0.774SS**  152.1158.5112.1-155166.723.300114.1
331F31.5Very low35.3Very low175 Ų175133.7 Ų133.777%0.76878%0.776SS**  trans89.4142.7162.7-64.7-72.3000123.4
332S33.3Very low35.4Very low109 Ų109136.5 Ų136.576%0.76279%0.787SS**  trans-143.6171.3164.4-40.40000105.8
333P56.1Low35.4Very low116 Ų116130.1 Ų130.175%0.75379%0.787SS**  -161.1-173.164.541.1-16.9000119
334H31.5Very low35.5Very low160 Ų160128.1 Ų128.174%0.74179%0.787SS**  trans96.1113139.4-112.7-117000125
335I35.3Very low35.8Very low129 Ų129131.3 Ų131.366%0.66279%0.791SS**  trans61.1124.914165.9173.1000127.4
336N33.5Very low34.5Very low166 Ų166131.2 Ų131.289%0.88879%0.793SS**  trans53.5127135.3-69.92.1000124.8
337G29.9Very low34.7Very low81 Ų81135 Ų13584%0.83580%0.801SS**  trans158.595.214200000119.2
338G30.2Very low34.8Very low73 Ų73134.7 Ų134.775%0.75381%0.805SS**  trans73.6102.514400000122.1
339T36.6Very low35.4Very low135 Ų135135 Ų13583%0.82881%0.806SS**  trans4.8157.7139.252.60000122.5
340P44.7Very low35.9Very low129 Ų129134.3 Ų134.384%0.83881%0.807SS**  cis-137.9158.3-26.537.9-20.8000114.9
341G31.3Very low36.9Very low76 Ų76132.7 Ų132.778%0.78481%0.809SS**  trans-166.1140.2172.900000114.2
342Y31.9Very low38Very low252 Ų252130 Ų13099%0.98881%0.809SS**  trans-56.3138.8-174.8-78.4-105.4000115.1
343G31.2Very low39Very low76 Ų76130.4 Ų130.478%0.78481%0.809SS**  trans-173.6132.416800000112.9
344Q32.5Very low39.1Very low183 Ų183130.6 Ų130.686%0.85581%0.81SS**  trans-73.4138-174.3-63.6176.4-42.200113.6
345N33.4Very low40Very low159 Ų159129 Ų12985%0.8582%0.815SS**  168128.3111.1-88.1-40.1000111.7
346S35.3Very low40.6Very low113 Ų113131.2 Ų131.279%0.7982%0.824SS**  trans-120.6121.3174.655.30000110.6
347M36Very low41Very low187 Ų187129 Ų12992%0.92182%0.819SS**PPolyproline II helixtrans-76.7130.8172-65.5179.717700110.4V349M347-V349 PolarHBondContact O-N 3.44Å
348S36.2Very low41.4Very low124 Ų124133.7 Ų133.787%0.86782%0.819SS**PPolyproline II helixtrans-77.4118.9172.6-61.30000110.9
349V43.5Very low41.5Very low141 Ų141138.6 Ų138.686%0.85583%0.827SS**PPolyproline II helixtrans-85.2127.6168.5178.30000108.7M347M347-V349 PolarHBondContact O-N 3.44Å
350A45.9Very low41.5Very low88 Ų88137.1 Ų137.173%0.72782%0.818SS**PPolyproline II helixtrans-84.7140.3176.100000111.4
351P55Low41Very low115 Ų115137.1 Ų137.175%0.74782%0.818SS**PPolyproline II helixtrans-75.9156.3173.632.3-35000112.1
352P54.4Low41.1Very low117 Ų117141.9 Ų141.976%0.7682%0.82SS**PPolyproline II helixtrans-74.9155.4177.831.9-35.9000112.9
353P54.3Low41.7Very low118 Ų118136.8 Ų136.877%0.76681%0.808SS**PPolyproline II helixtrans-74.8155.3176.531.7-35.7000112.9
354P59Low42.1Very low120 Ų120138.9 Ų138.978%0.77981%0.808SS**PPolyproline II helixtrans-76.6158.9178.132.5-36.1000113.2
355P48.6Very low42.4Very low128 Ų128136.9 Ų136.983%0.83180%0.802SS**PPolyproline II helixtrans-75.4152.3178.431.9-35.8000113.1
356M49Very low42.5Very low174 Ų174136 Ų13686%0.85780%0.803SS**PPolyproline II helixtrans-94.2137.7178.7-166.9-179.4-62.100110.6
357P42.3Very low42.4Very low121 Ų121133.5 Ų133.579%0.78680%0.795SS**PPolyproline II helixtrans-71.6137.8178.229.3-34.4000111.6
358Q37.5Very low42.1Very low178 Ų178134.3 Ų134.383%0.83279%0.793SS**PPolyproline II helixtrans-84.3145.5170.8-71.2-164.8-700111.6
359L33.5Very low42Very low176 Ų176134.7 Ų134.792%0.92179%0.79SS**  trans-112.3107.4167.9-84.1162.2000109
360T36.1Very low41.4Very low104 Ų104132.2 Ų132.264%0.63879%0.785SS**  trans-90.4136.1168.248.20000109.7Q362T360-Q362 PolarHBondContact O-N 3.1Å
361P34.7Very low40.7Very low129 Ų129139 Ų13984%0.83879%0.792SS**  trans-73.7125.9170.729.8-32000109.9
362Q33.3Very low39.6Very low176 Ų176141 Ų14182%0.82279%0.793SS**  trans-119.4134.8162.4-88.6-158.759.700110.4T360T360-Q362 PolarHBondContact O-N 3.1Å
363I43.7Very low38.4Very low145 Ų145141.4 Ų141.474%0.74478%0.784SS**  trans-93.5137.4171.9-59.3162.4000108.1L365I363-L365 HydrophobicContact CG2-CD1 3.95Å
364P40.7Very low37.2Very low120 Ų120142.7 Ų142.778%0.77978%0.78SS**  trans-113.6125.1149.10.220.7000111
365L37.2Very low35.8Very low141 Ų141141 Ų14174%0.73877%0.771SS**  trans-87.2168.4160.2-114.771.6000109.8I363I363-L365 HydrophobicContact CG2-CD1 3.95Å
366T36.7Very low35Very low142 Ų142142.8 Ų142.887%0.87177%0.772SS**  trans71.6146.6177.878.30000115.3
367G31.8Very low34.2Very low59 Ų59138.8 Ų138.861%0.60877%0.767SS**  cis161.7167.1-8.200000112.5
368F30Very low33.8Very low204 Ų204140.3 Ų140.390%0.89577%0.768SS**  trans68.6145.3171.7-68.6-97.2000117.4
369V34.1Very low33.5Very low133 Ų133138.4 Ų138.481%0.80677%0.769SS**  cis-156.4170.1-22.298.10000111.1
370A30.6Very low34.1Very low89 Ų89135.7 Ų135.774%0.73676%0.762SS**  trans-83.4162.6-165.900000118.6
371R31.4Very low34.3Very low231 Ų231137.1 Ų137.187%0.87277%0.771SS**  trans-154.2127.6140.2-134.8169.5179.893.32107.7
372M32.2Very low34.9Very low156 Ų156136.2 Ų136.277%0.76877%0.765SS**  58.1130.767.1-92.9174.9169.200113
373Q30Very low36Very low125 Ų125133.4 Ų133.458%0.58476%0.762SS**  cis-162.9179.49.7-167.2162.7-66.300113.3
374E28.1Very low36.5Very low145 Ų145132.3 Ų132.368%0.67876%0.764SS**  trans75.4152.3168.2-84.284.6-144.100118.9
375S30Very low36.8Very low84 Ų84132.2 Ų132.259%0.58776%0.764SS**  cis-178.5145-31.754.70000113.5
376I31.9Very low37.4Very low167 Ų167131 Ų13186%0.85676%0.764SS**  trans66.2141147.2-65.4161.1000116.2
377A32.8Very low38.4Very low90 Ų90129.7 Ų129.774%0.74476%0.758SS**  cis-148.6177.96.300000112.5
378D32.8Very low38.9Very low153 Ų153133 Ų13382%0.81877%0.769SS**  trans-57.6149.1170.8-70.9-88.9000116.5
379T32.7Very low39.3Very low137 Ų137130.5 Ų130.584%0.8477%0.765SS**  -168.5154.4125.212.70000111.1
380P44.6Very low39.5Very low119 Ų119132.3 Ų132.377%0.77377%0.77SS**PPolyproline II helixtrans-91156.7-165.535.4-36.2000115.5
381T41.6Very low39.7Very low135 Ų135135 Ų13583%0.82877%0.771SS**PPolyproline II helixtrans-69135.7176-37.50000112.6
382P46.1Very low40.4Very low110 Ų110129.4 Ų129.471%0.71477%0.765SS**PPolyproline II helixtrans-77.1150.6174.731.7-35.3000112.7
383P57.3Low40.8Very low117 Ų117129.7 Ų129.776%0.7677%0.766SS**PPolyproline II helixtrans-77158.2176.332.5-35.8000113
384P53.6Low41Very low121 Ų121133.8 Ų133.879%0.78678%0.783SS**PPolyproline II helixtrans-72.1157.4175.930.8-35.6000113.1
385P47.1Very low41.5Very low119 Ų119134.6 Ų134.677%0.77379%0.792SS**PPolyproline II helixtrans-79.7156.4-175.532.8-36.5000114
386P51.2Low42.5Very low116 Ų116137.1 Ų137.175%0.75380%0.798SS**PPolyproline II helixtrans-80.9157.9178.734-36.3000113.6
387P56.5Low43.3Very low114 Ų114134.3 Ų134.374%0.7479%0.794SS**PPolyproline II helixtrans-75.9161.8167.334.4-35.4000112
388P43.3Very low44.2Very low129 Ų129135.5 Ų135.584%0.83879%0.794SS**PPolyproline II helixtrans-85.3138.6176.333.6-33.4000112.9
389D36.5Very low44.9Very low151 Ų151133.7 Ų133.781%0.80779%0.79SS**PPolyproline II helixtrans-90.1147.9167.1-74.8-53.6000111.7
390D38.5Very low45.5Very low170 Ų170132.7 Ų132.791%0.90979%0.786SS**  trans-148.5143.5147.5-122.3-32.1000109.8
391L36Very low45.7Very low145 Ų145132.6 Ų132.676%0.75979%0.785SS**  trans-106.8176.5-162.1-75.2171.9000111.6
392P45.4Very low46Very low114 Ų114131.5 Ų131.574%0.7478%0.78SS**  cis-141.9163.715.842.2-23.1000119.6
393M40.1Very low45.9Very low163 Ų163131.3 Ų131.380%0.80378%0.779SS**  trans13.2131.8149.9-53.5-149.3-55.800121.3
394F35.5Very low45.2Very low211 Ų211131.4 Ų131.493%0.92578%0.78SS**  trans-150.5132.3130.4-111.6-73.8000113
395D38.6Very low44.7Very low162 Ų162131.3 Ų131.387%0.86678%0.777SS**  trans66.7148.6168.7-140.74.4000120.1
396D50.8Low44.1Very low137 Ų137132.9 Ų132.973%0.73378%0.779SS**  trans-125.2106.2-167.4177.923.7000111.6
397S49.2Very low43.9Very low108 Ų108137.8 Ų137.876%0.75578%0.784SS**  trans-164.1120.2166.4-810000110.7
398P51.3Low42.7Very low115 Ų115141.8 Ų141.875%0.74779%0.793SS**PPolyproline II helixtrans-71.5142.9177.228.7-34000111.6
399P46.8Very low42.2Very low114 Ų114142.9 Ų142.974%0.7479%0.792SS**PPolyproline II helixtrans-66.9153.8171.929.7-34.9000111.1
400P44.9Very low42.6Very low116 Ų116144.2 Ų144.275%0.75379%0.793SS**PPolyproline II helixtrans-63.9145.4176.727.9-34.9000111.2
401P49.3Very low42.6Very low117 Ų117145.3 Ų145.376%0.7679%0.792SS**PPolyproline II helixtrans-68.3147.9-175.628.1-35.3000112.3
402P48.1Very low42.6Very low112 Ų112142.6 Ų142.673%0.72779%0.791SS**PPolyproline II helixtrans-65.6155.3168.330.3-34.9000110.8
403P44.8Very low41.9Very low106 Ų106143.8 Ų143.869%0.68880%0.796SS**PPolyproline II helixtrans-63.9153.2172.729.1-35.1000111V405P403-V405 PolarHBondContact O-N 3.46Å
404P42Very low41.8Very low119 Ų119141.7 Ų141.777%0.77379%0.792SS**PPolyproline II helixtrans-59.8136-179.8-22.333.5000112
405V43.7Very low41.9Very low120 Ų120138.4 Ų138.473%0.72778%0.784SS**  trans-122.897.3166.3-1650000105.2P403 Y407P403-V405 PolarHBondContact O-N 3.46Å; V405-Y407 PolarHBondContact O-N 3.4Å
406D34.6Very low42.1Very low152 Ų152138.5 Ų138.581%0.81378%0.777SS**  trans-68.3132.3-179.5-71-47000110.1
407Y46Very low41.6Very low219 Ų219139.9 Ų139.986%0.85978%0.776SS**  trans-102.8109.3167.1-73.7-104.7000107.5V405V405-Y407 PolarHBondContact O-N 3.4Å
408E31.3Very low41.3Very low198 Ų198141.4 Ų141.493%0.92578%0.776SS**  trans-125.7143.7155.7-70.7-163.3140.500108.1
409D33.8Very low41.4Very low152 Ų152139 Ų13981%0.81376%0.757SS**  trans-121.5143.4-163.7-141.3-12.3000111.2
410E44.2Very low41.6Very low179 Ų179139.1 Ų139.184%0.83676%0.758SS**  trans64.1155.1167.7-50-154.7119.100121.7
411E38.2Very low42Very low192 Ų192142.5 Ų142.590%0.89776%0.757SS**SBendtrans66.5140.7178.3-65.7-143.9106.600122
412A35.9Very low42.2Very low89 Ų89139.8 Ų139.874%0.73674%0.744SS**  trans6740157.700000120.7V414A412-V414 PolarHBondContact O-N 2.82Å
413T30.2Very low42.6Very low138 Ų138143.1 Ų143.185%0.84776%0.756SS**  trans-72.854.6162.844.90000113.9L415T413-L415 PolarHBondContact O-N 2.89Å; T413-L415 VanDerWaalsContact O-N 3.08Å
414V37.8Very low43.4Very low119 Ų119141.1 Ų141.172%0.72176%0.755SS**  trans-67106.4165.51790000108.2A412 K416A412-V414 PolarHBondContact O-N 2.82Å; V414-K416 PolarHBondContact O-N 3.44Å
415L39.2Very low44.8Very low142 Ų142137.9 Ų137.974%0.74373%0.731SS**  trans-61103.4-179.7-69.7173.3000110.9T413 F417T413-L415 PolarHBondContact O-N 2.89Å; T413-L415 VanDerWaalsContact O-N 3.08Å; L415-F417 HydrophobicContact CB-CD2 4.44Å; L415-F417 HydrophobicContact CB-CE2 4.4Å; L415-F417 PolarHBondContact O-N 3Å
416K42.8Very low46.3Very low165 Ų165134.7 Ų134.772%0.71771%0.713SS**  trans-65.8101.6165.2-84.3-170.8169.8-1710109.9V414 D418V414-K416 PolarHBondContact O-N 3.44Å; K416-D418 PolarHBondContact O-N 3.23Å
417F40.3Very low48Very low165 Ų165136.9 Ų136.972%0.72472%0.718SS**  trans-79.299.6154.7-83.2-95.4000108.1L415 D419L415-F417 HydrophobicContact CB-CD2 4.44Å; L415-F417 HydrophobicContact CB-CE2 4.4Å; L415-F417 PolarHBondContact O-N 3Å; F417-D419 PolarHBondContact O-N 3.48Å; F417-D419 VanDerWaalsContact O-N 3.08Å
418D43Very low49.6Very low140 Ų140130.7 Ų130.775%0.74969%0.693SS**  trans-70.399169-72.8-53.9000109.1K416 P420K416-D418 PolarHBondContact O-N 3.23Å; D418-P420 WeakPolarHBondContact O-CD 3.32Å
419D52.1Low52Low65 Ų65122.1 Ų122.135%0.34866%0.657SS.*  trans-67.1117.9173.9-179.2-9.8000110F417 Y421 A422F417-D419 PolarHBondContact O-N 3.48Å; F417-D419 VanDerWaalsContact O-N 3.08Å; D419-Y421 PolarHBondContact O-N 2.92Å; D419-Y421 PolarHBondContact OD1-N 3.23Å; D419-A422 PolarHBondContact O-N 3.26Å
420P51.5Low54.5Low116 Ų116116.3 Ų116.375%0.75363%0.627SS**THydrogen-bonded Turntrans-68.82.4-179.229.6-35.8000114.7D418D418-P420 WeakPolarHBondContact O-CD 3.32Å
421Y52.6Low56.2Low187 Ų187117.4 Ų117.473%0.73363%0.629SS**THydrogen-bonded Turntrans-112.612.6178.8-65.6-77.1000115.3D419 D423 G424D419-Y421 PolarHBondContact O-N 2.92Å; D419-Y421 PolarHBondContact OD1-N 3.23Å; Y421-D423 PolarHBondContact O-N 2.91Å; Y421-G424 PolarHBondContact O-N 3.35Å
422A54.3Low58.3Low61 Ų61114.3 Ų114.350%0.50462%0.619SS.*G310 helixtrans-56-20.6-176.600000116.2D419 G424 D425D419-A422 PolarHBondContact O-N 3.26Å; A422-G424 PolarHBondContact O-N 2.78Å; A422-D425 PolarHBondContact O-N 3.07Å
423D56.3Low60.7Low181 Ų181113.4 Ų113.497%0.96860%0.597SS**G310 helixtrans-61.3-7.4175-86-27.1000114.5Y421Y421-D423 PolarHBondContact O-N 2.91Å
424G61.3Low63.5Low65 Ų65111.2 Ų111.267%0.6758%0.579SS**G310 helixtrans-94.8-10.7178.800000116.4Y421 A422Y421-G424 PolarHBondContact O-N 3.35Å; A422-G424 PolarHBondContact O-N 2.78Å
425D71.3Confident66Low51 Ų51107 Ų10727%0.27355%0.551SS.*  trans-88.5145.7-164.6-79.9-14000114.9A422 A429 K436 Y460A422-D425 PolarHBondContact O-N 3.07Å; D425-A429 HydrophobicContact CB-CB 4.39Å; D425-K436 IonicContact OD1-NZ 2.7Å; D425-K436 PolarHBondContact OD1-NZ 3Å; D425-K436 IonicContact OD2-NZ 2.69Å; D425-K436 PolarHBondContact OD2-NZ 2.9Å; D425-Y460 PolarHBondContact OD1-OH 3.23Å; D425-Y460 VanDerWaalsContact OD1-OH 3.1Å; D425-Y460 PolarHBondContact OD2-OH 3.3Å
426P75.4Confident68.5Low52 Ų52102.2 Ų102.234%0.33852%0.524SS..  trans-71.9150.5-175.330.3-35.5000111.9W428 A429P426-W428 HydrophobicContact CB-CD2 4.46Å; P426-W428 HydrophobicContact CB-CG 4.4Å; P426-W428 HydrophobicContact CG-CD2 4Å; P426-W428 VanDerWaalsContact CG-CE2 3.45Å; P426-W428 HydrophobicContact CG-CG 4.43Å; P426-W428 HydrophobicContact CG-CH2 4.3Å; P426-W428 HydrophobicContact CG-CZ2 3.64Å; P426-W428 PolarHBondContact O-N 2.78Å; P426-A429 HydrophobicContact CG-CB 4.41Å; P426-A429 VanDerWaalsContact O-CB 3.31Å; P426-A429 WeakPolarHBondContact O-CB 3.5Å; P426-A429 PolarHBondContact O-N 2.7Å
427Q71.6Confident70.9Confident198 Ų19894.4 Ų94.493%0.92549%0.491SS*.THydrogen-bonded Turntrans-52.8-20.9-176.6-164.573.875.500115.5
428W78.4Confident73.5Confident89 Ų8988.4 Ų88.434%0.33747%0.467SS..THydrogen-bonded Turntrans-87.5-11.5177.860.6-108.4000114.4P426 Y460 V473 N475P426-W428 HydrophobicContact CB-CD2 4.46Å; P426-W428 HydrophobicContact CB-CG 4.4Å; P426-W428 HydrophobicContact CG-CD2 4Å; P426-W428 VanDerWaalsContact CG-CE2 3.45Å; P426-W428 HydrophobicContact CG-CG 4.43Å; P426-W428 HydrophobicContact CG-CH2 4.3Å; P426-W428 HydrophobicContact CG-CZ2 3.64Å; P426-W428 PolarHBondContact O-N 2.78Å; W428-Y460 HydrophobicContact CH2-CD2 4.27Å; W428-Y460 AromaticContact CH2-CE2 3.78Å; W428-Y460 HydrophobicContact CH2-CE2 3.78Å; W428-Y460 AromaticContact CZ3-CD2 3.82Å; W428-Y460 HydrophobicContact CZ3-CD2 3.82Å; W428-Y460 AromaticContact CZ3-CE2 3.67Å; W428-Y460 HydrophobicContact CZ3-CE2 3.67Å; W428-V473 HydrophobicContact CE3-CG1 4.13Å; W428-V473 HydrophobicContact CZ3-CG1 4.3Å; W428-N475 VanDerWaalsContact CZ3-N 3.25Å
429A82.4Confident75.9Confident19 Ų1981.8 Ų81.816%0.15743%0.432CS..SBendtrans-64.5137.9179.100000110.5D425 P426 Y460D425-A429 HydrophobicContact CB-CB 4.39Å; P426-A429 HydrophobicContact CG-CB 4.41Å; P426-A429 VanDerWaalsContact O-CB 3.31Å; P426-A429 WeakPolarHBondContact O-CB 3.5Å; P426-A429 PolarHBondContact O-N 2.7Å; A429-Y460 HydrophobicContact CB-CD2 4.31Å; A429-Y460 HydrophobicContact CB-CE1 4.07Å; A429-Y460 HydrophobicContact CB-CE2 3.87Å
430P85.2Confident78Confident30 Ų3081.4 Ų81.420%0.19543%0.43CS..  trans-65.1142.5176.229-35000110N432 Y433 Y460 V462 V473P430-N432 VanDerWaalsContact C-N 3.3Å; P430-Y433 HydrophobicContact CG-CD1 4.4Å; P430-Y433 WeakPolarHBondContact O-CD1 3.35Å; P430-Y460 HydrophobicContact CG-CG 4.16Å; P430-V462 HydrophobicContact CB-CG2 4.47Å; P430-V462 HydrophobicContact CG-CG2 4.24Å; P430-V473 HydrophobicContact CB-CG2 4.32Å; P430-V473 HydrophobicContact CG-CB 4.15Å; P430-V473 HydrophobicContact CG-CG2 3.9Å
431K79.4Confident79.9Confident202 Ų20282.1 Ų82.188%0.87842%0.418SS*.SBendtrans-74.9-21.7177.4-66.8-174.6178.1-177.10113.6
432N83.6Confident81.9Confident127 Ų12778.1 Ų78.168%0.67941%0.41SS*.SBendtrans-120.3119176.3-63.110.6000107.1P430P430-N432 VanDerWaalsContact C-N 3.3Å
433Y86.4Confident83.8Confident69 Ų6976.7 Ų76.727%0.27139%0.391SS..  trans-147.1155.4171.957.3-92.3000108.8P430 E435 K436 Y460 V461P430-Y433 HydrophobicContact CG-CD1 4.4Å; P430-Y433 WeakPolarHBondContact O-CD1 3.35Å; Y433-E435 WeakPolarHBondContact CD2-O 3.45Å; Y433-K436 HydrophobicContact CE2-CB 4.26Å; Y433-Y460 AromaticContact CD1-CD1 3.76Å; Y433-Y460 HydrophobicContact CD1-CD1 3.76Å; Y433-Y460 HydrophobicContact CD2-CD1 4.2Å; Y433-Y460 AromaticContact CE1-CD1 3.68Å; Y433-Y460 HydrophobicContact CE1-CD1 3.68Å; Y433-Y460 HydrophobicContact CE1-CE1 4.08Å; Y433-Y460 HydrophobicContact CE2-CD1 4.13Å; Y433-Y460 HydrophobicContact CG-CD1 4.01Å; Y433-Y460 AromaticContact CZ-CD1 3.87Å; Y433-V461 CarbonylContact C-O 3.5Å; Y433-V461 WeakPolarHBondContact CA-O 3.25Å; Y433-V461 WeakPolarHBondContact CB-O 3.36Å
434I88.2Confident85.6Confident92 Ų9273.1 Ų73.147%0.47238%0.377SS..SBendtrans-77.8-46.7179.3-60.5175.2000110V461 V462I434-V461 PolarHBondContact N-O 3.01Å; I434-V462 WeakPolarHBondContact CD1-O 3.31Å
435E90.3Very high87Confident30 Ų3074.2 Ų74.214%0.1436%0.364CS..EExtended strand (participates in β ladder)trans-157.1171.5177.564.5168.9159.600112Y433 V437 V461 K464 S488Y433-E435 WeakPolarHBondContact CD2-O 3.45Å; E435-V437 HydrophobicContact CG-CG1 3.83Å; E435-V461 HydrophobicContact CG-CB 3.95Å; E435-V461 HydrophobicContact CG-CG2 3.92Å; E435-V461 PolarHBondContact O-N 2.74Å; E435-K464 WeakPolarHBondContact OE1-CE 3.3Å; E435-K464 IonicContact OE1-NZ 3.11Å; E435-K464 PolarHBondContact OE1-NZ 2.69Å; E435-S488 VanDerWaalsContact OE2-CB 3.26Å; E435-S488 WeakPolarHBondContact OE2-CB 3.31Å; E435-S488 PolarHBondContact OE2-OG 2.65Å
436K92.1Very high87.6Confident42 Ų4278.7 Ų78.718%0.18339%0.388CS..EExtended strand (participates in β ladder)trans-114121.6178.3-159.5177.2-170.9157.10108.7D425 Y433 I458 Y460 I489D425-K436 IonicContact OD1-NZ 2.7Å; D425-K436 PolarHBondContact OD1-NZ 3Å; D425-K436 IonicContact OD2-NZ 2.69Å; D425-K436 PolarHBondContact OD2-NZ 2.9Å; Y433-K436 HydrophobicContact CE2-CB 4.26Å; K436-I458 HydrophobicContact CG-CG2 4.01Å; K436-Y460 HydrophobicContact CD-CE1 3.96Å; K436-Y460 VanDerWaalsContact CE-OH 3.31Å; K436-Y460 WeakPolarHBondContact CE-OH 3.15Å; K436-Y460 HydrophobicContact CG-CD1 4.19Å; K436-Y460 HydrophobicContact CG-CE1 4Å; K436-Y460 PolarHBondContact NZ-OH 3.17Å; K436-I489 HydrophobicContact CG-CD1 4.25Å; K436-I489 WeakPolarHBondContact O-CB 3.43Å; K436-I489 WeakPolarHBondContact O-CG1 3.48Å; K436-I489 PolarHBondContact O-N 3.39Å
437V93.6Very high88.3Confident1 Ų181.2 Ų81.21%0.00639%0.394CS..EExtended strand (participates in β ladder)trans-122.6152.2-174-550000111E435 I459 V461 F481 V486 E487E435-V437 HydrophobicContact CG-CG1 3.83Å; V437-I459 HydrophobicContact CG2-CB 3.84Å; V437-I459 PolarHBondContact N-O 2.95Å; V437-I459 PolarHBondContact O-N 3.23Å; V437-V461 HydrophobicContact CB-CG2 4.41Å; V437-V461 HydrophobicContact CG1-CG2 3.68Å; V437-V461 HydrophobicContact CG2-CG2 3.79Å; V437-F481 HydrophobicContact CG2-CZ 4.46Å; V437-V486 HydrophobicContact CB-CB 3.92Å; V437-V486 HydrophobicContact CB-CG2 4.08Å; V437-V486 HydrophobicContact CG1-CG2 4.37Å; V437-V486 HydrophobicContact CG2-CB 3.73Å; V437-V486 HydrophobicContact CG2-CG1 3.86Å; V437-V486 HydrophobicContact CG2-CG2 3.89Å; V437-E487 CarbonylContact C-O 3.49Å; V437-E487 VanDerWaalsContact CA-O 3.28Å; V437-E487 WeakPolarHBondContact CA-O 3.4Å; V437-E487 WeakPolarHBondContact CB-O 3.44Å
438V94.3Very high89.1Confident39 Ų3981.1 Ų81.124%0.23639%0.393CS..EExtended strand (participates in β ladder)trans-108.2134.8172.662.90000109.4I440 A457 I458 V486 E487 I489V438-I440 PolarHBondContact O-N 2.7Å; V438-A457 CarbonylContact C-O 3.54Å; V438-A457 WeakPolarHBondContact CA-O 3.39Å; V438-I458 HydrophobicContact CB-CD1 4.46Å; V438-I458 HydrophobicContact CG2-CD1 4.37Å; V438-V486 CarbonylContact O-C 3.58Å; V438-V486 WeakPolarHBondContact O-CA 3.41Å; V438-E487 HydrophobicContact CG1-CB 4.38Å; V438-E487 PolarHBondContact N-O 2.94Å; V438-E487 PolarHBondContact O-N 3.01Å; V438-I489 HydrophobicContact CB-CD1 3.87Å; V438-I489 HydrophobicContact CB-CG1 3.91Å; V438-I489 HydrophobicContact CG1-CG1 4.09Å
439A94.4Very high89.7Confident2 Ų281 Ų812%0.01740%0.4CS..EExtended strand (participates in β ladder)trans-66.9128.2172.400000110.9F453 M454 G456 A457 Y485A439-F453 HydrophobicContact CB-CD2 3.44Å; A439-F453 VanDerWaalsContact CB-CD2 3.44Å; A439-F453 HydrophobicContact CB-CE2 3.53Å; A439-M454 VanDerWaalsContact CB-O 3.3Å; A439-M454 WeakPolarHBondContact CB-O 3.28Å; A439-G456 PolarHBondContact O-N 3.24Å; A439-A457 HydrophobicContact CB-CB 4.22Å; A439-A457 PolarHBondContact N-O 3.42Å; A439-Y485 WeakPolarHBondContact CA-O 3.39Å
440I95.2Very high90.2Very high57 Ų5780.5 Ų80.529%0.29239%0.394SS..SBendtrans-99.3-5.9176.357.2164.3000113V438 Y485 E487V438-I440 PolarHBondContact O-N 2.7Å; I440-Y485 WeakPolarHBondContact CG1-O 3.41Å; I440-Y485 PolarHBondContact N-O 2.99Å; I440-E487 HydrophobicContact CG2-CB 3.86Å
441Y92.5Very high90.6Very high130 Ų13079.2 Ų79.251%0.5139%0.385SS..SBendtrans-145.5159.4172.8-55.8-61.1000110.2Y485Y441-Y485 HydrophobicContact CD2-CD1 4.2Å; Y441-Y485 HydrophobicContact CD2-CG 4.4Å; Y441-Y485 HydrophobicContact CG-CD1 4.45Å
442D93.8Very high91.3Very high104 Ų10472.6 Ų72.656%0.55636%0.362SS*.  trans-64.8142.8164.9-66.2-29000110.8M454 E455D442-M454 WeakPolarHBondContact OD1-CA 3.3Å; D442-M454 WeakPolarHBondContact OD1-CB 3.24Å; D442-E455 PolarHBondContact OD1-N 3.25Å
443Y94.3Very high91.8Very high30 Ų3067.1 Ų67.112%0.11833%0.332CS..BIsolated β-bridgetrans-137.4128.4171.1-174-95.9000110.6E450 L451 T452 F453 W469 P482 Y485Y443-E450 HydrophobicContact CE1-CB 4.47Å; Y443-E450 PolarHBondContact OH-OE2 3.26Å; Y443-L451 WeakPolarHBondContact CD1-O 3.42Å; Y443-T452 WeakPolarHBondContact O-CA 3.41Å; Y443-F453 VanDerWaalsContact CB-CZ 3.45Å; Y443-F453 HydrophobicContact CD1-CE1 4.13Å; Y443-F453 HydrophobicContact CD1-CZ 4.46Å; Y443-F453 HydrophobicContact CG-CE1 4.26Å; Y443-F453 HydrophobicContact CG-CZ 4.14Å; Y443-F453 PolarHBondContact N-O 3.23Å; Y443-F453 PolarHBondContact O-N 3.32Å; Y443-W469 WeakPolarHBondContact OH-CH2 3.45Å; Y443-P482 HydrophobicContact CD2-CG 3.78Å; Y443-P482 HydrophobicContact CE2-CG 3.58Å; Y443-Y485 HydrophobicContact CD2-CD1 4.04Å; Y443-Y485 AromaticContact CD2-CE1 3.98Å; Y443-Y485 HydrophobicContact CD2-CE1 3.98Å; Y443-Y485 HydrophobicContact CD2-CG 4.49Å
444T93.1Very high92.2Very high107 Ų10770.3 Ų70.366%0.65635%0.351SS*.  trans-113.4133174.3-56.60000108.5
445Q91.4Very high92.4Very high87 Ų8772.4 Ų72.441%0.40736%0.359SS..  trans-59.5133.7178.568.8-165.192.400112.5K447 E450 T452Q445-K447 WeakPolarHBondContact CB-O 3.44Å; Q445-K447 PolarHBondContact NE2-O 3.38Å; Q445-K447 VanDerWaalsContact NE2-O 3.07Å; Q445-E450 HydrophobicContact CB-CB 3.67Å; Q445-E450 WeakPolarHBondContact CB-O 3.38Å; Q445-T452 WeakPolarHBondContact CB-OG1 3.44Å; Q445-T452 VanDerWaalsContact CG-OG1 3.23Å; Q445-T452 WeakPolarHBondContact CG-OG1 3.49Å; Q445-T452 PolarHBondContact N-OG1 2.92Å; Q445-T452 PolarHBondContact OE1-OG1 3.44Å
446D84.6Confident92.4Very high146 Ų14673.2 Ų73.278%0.78138%0.375SS*.SBendtrans-93.1-21.9169.1-16648.8000110.8E450D446-E450 PolarHBondContact N-OE2 3.07Å
447K90.3Very high92.4Very high105 Ų10572.1 Ų72.146%0.45737%0.374SS..SBendtrans-123.6172.4178.4-51.3-168.6-148.3780113.3Q445 D449 E450Q445-K447 WeakPolarHBondContact CB-O 3.44Å; Q445-K447 PolarHBondContact NE2-O 3.38Å; Q445-K447 VanDerWaalsContact NE2-O 3.07Å; K447-D449 WeakPolarHBondContact CB-OD1 3.35Å; K447-E450 HydrophobicContact CB-CG 4.19Å; K447-E450 IonicContact NZ-OE1 2.75Å; K447-E450 PolarHBondContact NZ-OE1 3Å
448E86.9Confident92.4Very high196 Ų19675.2 Ų75.292%0.91639%0.39SS*.THydrogen-bonded Turntrans-77.4-20179.9-62.4-174.3173.300113.4
449D91.1Very high92.3Very high87 Ų8773.4 Ų73.447%0.46538%0.379SS..THydrogen-bonded Turntrans-91.5-1.1177.657.6-46.6000114.1K447 G479 L480K447-D449 WeakPolarHBondContact CB-OD1 3.35Å; D449-G479 WeakPolarHBondContact O-CA 3.33Å; D449-L480 PolarHBondContact O-N 3.37Å
450E94Very high92.3Very high8 Ų873.5 Ų73.54%0.03738%0.379CS..BIsolated β-bridgetrans-99.4148.9-176.5-71.2176.1-166.400113.6Y443 Q445 D446 K447 W469 L480Y443-E450 HydrophobicContact CE1-CB 4.47Å; Y443-E450 PolarHBondContact OH-OE2 3.26Å; Q445-E450 HydrophobicContact CB-CB 3.67Å; Q445-E450 WeakPolarHBondContact CB-O 3.38Å; D446-E450 PolarHBondContact N-OE2 3.07Å; K447-E450 HydrophobicContact CB-CG 4.19Å; K447-E450 IonicContact NZ-OE1 2.75Å; K447-E450 PolarHBondContact NZ-OE1 3Å; E450-W469 HydrophobicContact CG-CH2 4.37Å; E450-W469 HydrophobicContact CG-CZ3 3.87Å; E450-W469 WeakPolarHBondContact OE1-CH2 3.35Å; E450-L480 CarbonylContact C-O 3.58Å; E450-L480 WeakPolarHBondContact CA-O 3.49Å
451L93.3Very high92.3Very high3 Ų370.8 Ų70.82%0.01637%0.365CS..  trans-97.6112.2-173.4-176.468.5000112.3Y443 F453 I459 C474 V477 L480 F481Y443-L451 WeakPolarHBondContact CD1-O 3.42Å; L451-F453 HydrophobicContact CD2-CD1 4.37Å; L451-F453 HydrophobicContact CG-CD1 4.25Å; L451-F453 WeakPolarHBondContact O-CD1 3.13Å; L451-F453 WeakPolarHBondContact O-CE1 3.2Å; L451-I459 HydrophobicContact CD2-CD1 4.4Å; L451-I459 HydrophobicContact CD2-CG2 3.92Å; L451-C474 HydrophobicContact CD1-CB 4.34Å; L451-C474 HydrophobicContact CD2-CB 3.97Å; L451-C474 HydrophobicContact CG-CB 4.46Å; L451-V477 HydrophobicContact CD1-CB 4.07Å; L451-V477 HydrophobicContact CD1-CG1 3.91Å; L451-V477 WeakPolarHBondContact CD1-O 3.34Å; L451-L480 PolarHBondContact N-O 3.16Å; L451-F481 HydrophobicContact CB-CD1 4.46Å; L451-F481 HydrophobicContact CD2-CD1 3.96Å; L451-F481 HydrophobicContact CD2-CE1 4.32Å
452T93.8Very high92.3Very high63 Ų6367.3 Ų67.339%0.38736%0.357SS..  trans-76.7131.7172.8-64.50000112.5Y443 Q445Y443-T452 WeakPolarHBondContact O-CA 3.41Å; Q445-T452 WeakPolarHBondContact CB-OG1 3.44Å; Q445-T452 VanDerWaalsContact CG-OG1 3.23Å; Q445-T452 WeakPolarHBondContact CG-OG1 3.49Å; Q445-T452 PolarHBondContact N-OG1 2.92Å; Q445-T452 PolarHBondContact OE1-OG1 3.44Å
453F94.8Very high92.2Very high11 Ų1167.3 Ų67.35%0.04835%0.352CS..BIsolated β-bridgetrans-152.9172.3175.256.7-96.8000113.1A439 Y443 L451 A457 I459 F481 V486A439-F453 HydrophobicContact CB-CD2 3.44Å; A439-F453 VanDerWaalsContact CB-CD2 3.44Å; A439-F453 HydrophobicContact CB-CE2 3.53Å; Y443-F453 VanDerWaalsContact CB-CZ 3.45Å; Y443-F453 HydrophobicContact CD1-CE1 4.13Å; Y443-F453 HydrophobicContact CD1-CZ 4.46Å; Y443-F453 HydrophobicContact CG-CE1 4.26Å; Y443-F453 HydrophobicContact CG-CZ 4.14Å; Y443-F453 PolarHBondContact N-O 3.23Å; Y443-F453 PolarHBondContact O-N 3.32Å; L451-F453 HydrophobicContact CD2-CD1 4.37Å; L451-F453 HydrophobicContact CG-CD1 4.25Å; L451-F453 WeakPolarHBondContact O-CD1 3.13Å; L451-F453 WeakPolarHBondContact O-CE1 3.2Å; F453-A457 HydrophobicContact CB-CB 4.01Å; F453-I459 HydrophobicContact CB-CD1 4.47Å; F453-I459 HydrophobicContact CD1-CD1 3.54Å; F453-I459 HydrophobicContact CD2-CD1 4.12Å; F453-I459 HydrophobicContact CE1-CD1 3.64Å; F453-I459 HydrophobicContact CE2-CD1 4.21Å; F453-I459 HydrophobicContact CG-CD1 3.79Å; F453-I459 HydrophobicContact CZ-CD1 3.97Å; F453-F481 HydrophobicContact CE1-CB 3.6Å; F453-F481 HydrophobicContact CE1-CD2 4.11Å; F453-F481 AromaticContact CE1-CG 3.86Å; F453-F481 HydrophobicContact CE1-CG 3.86Å; F453-F481 HydrophobicContact CZ-CB 4.2Å; F453-F481 HydrophobicContact CZ-CD2 4.2Å; F453-F481 HydrophobicContact CZ-CG 4.38Å; F453-V486 HydrophobicContact CZ-CG1 4.49Å
454M95Very high92.2Very high136 Ų13670.1 Ų70.167%0.6737%0.365SS*.  trans-115.1161.2178.9-63.2177.6-63.100111.3A439 D442 G456 A457A439-M454 VanDerWaalsContact CB-O 3.3Å; A439-M454 WeakPolarHBondContact CB-O 3.28Å; D442-M454 WeakPolarHBondContact OD1-CA 3.3Å; D442-M454 WeakPolarHBondContact OD1-CB 3.24Å; M454-G456 PolarHBondContact O-N 2.98Å; M454-A457 WeakPolarHBondContact O-CB 3.45Å; M454-A457 PolarHBondContact O-N 3.44Å
455E92.6Very high92.1Very high137 Ų13766.9 Ų66.964%0.6434%0.343SS*.THydrogen-bonded Turntrans-51134.1169.5-171.8-174.6143.700110.9D442 A457D442-E455 PolarHBondContact OD1-N 3.25Å; E455-A457 VanDerWaalsContact C-N 3.31Å; E455-A457 PolarHBondContact O-N 3.09Å
456G89.7Confident91.9Very high46 Ų4671.3 Ų71.347%0.47437%0.37SS..THydrogen-bonded Turntrans80.1-0.4-175.300000115.6A439 M454A439-G456 PolarHBondContact O-N 3.24Å; M454-G456 PolarHBondContact O-N 2.98Å
457A91.8Very high92Very high20 Ų2069.5 Ų69.517%0.16536%0.36CS..  trans-65.9143.8173.300000112V438 A439 F453 M454 E455V438-A457 CarbonylContact C-O 3.54Å; V438-A457 WeakPolarHBondContact CA-O 3.39Å; A439-A457 HydrophobicContact CB-CB 4.22Å; A439-A457 PolarHBondContact N-O 3.42Å; F453-A457 HydrophobicContact CB-CB 4.01Å; M454-A457 WeakPolarHBondContact O-CB 3.45Å; M454-A457 PolarHBondContact O-N 3.44Å; E455-A457 VanDerWaalsContact C-N 3.31Å; E455-A457 PolarHBondContact O-N 3.09Å
458I92.9Very high92Very high66 Ų6666.3 Ų66.334%0.33836%0.357SS..EExtended strand (participates in β ladder)trans-96.1124.1176.8-52.6-63.7000108.9K436 V438 Y460 C474 I489K436-I458 HydrophobicContact CG-CG2 4.01Å; V438-I458 HydrophobicContact CB-CD1 4.46Å; V438-I458 HydrophobicContact CG2-CD1 4.37Å; I458-Y460 HydrophobicContact CG2-CE2 4.25Å; I458-C474 PolarHBondContact O-SG 3.38Å; I458-I489 HydrophobicContact CD1-CD1 3.55Å; I458-I489 HydrophobicContact CG2-CD1 4.3Å
459I94Very high92.4Very high0 Ų060.4 Ų60.40%033%0.327CS..EExtended strand (participates in β ladder)trans-122.1136.3-179.7-43.4-179.3000109.1V437 L451 F453 C474 F481 V486V437-I459 HydrophobicContact CG2-CB 3.84Å; V437-I459 PolarHBondContact N-O 2.95Å; V437-I459 PolarHBondContact O-N 3.23Å; L451-I459 HydrophobicContact CD2-CD1 4.4Å; L451-I459 HydrophobicContact CD2-CG2 3.92Å; F453-I459 HydrophobicContact CB-CD1 4.47Å; F453-I459 HydrophobicContact CD1-CD1 3.54Å; F453-I459 HydrophobicContact CD2-CD1 4.12Å; F453-I459 HydrophobicContact CE1-CD1 3.64Å; F453-I459 HydrophobicContact CE2-CD1 4.21Å; F453-I459 HydrophobicContact CG-CD1 3.79Å; F453-I459 HydrophobicContact CZ-CD1 3.97Å; I459-C474 HydrophobicContact CG1-CB 4.17Å; I459-C474 HydrophobicContact CG2-CB 4.4Å; I459-F481 HydrophobicContact CB-CZ 4.49Å; I459-F481 HydrophobicContact CD1-CE1 4.47Å; I459-F481 HydrophobicContact CD1-CE2 4.35Å; I459-F481 HydrophobicContact CD1-CZ 4.28Å; I459-F481 HydrophobicContact CG2-CE1 3.71Å; I459-F481 HydrophobicContact CG2-CZ 3.88Å; I459-V486 HydrophobicContact CD1-CG1 4.09Å
460Y94.1Very high92.6Very high4 Ų457.8 Ų57.82%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-97.8111.7174.2-60.7-96.5000108.2D425 W428 A429 P430 Y433 K436 I458 V462 G472 V473D425-Y460 PolarHBondContact OD1-OH 3.23Å; D425-Y460 VanDerWaalsContact OD1-OH 3.1Å; D425-Y460 PolarHBondContact OD2-OH 3.3Å; W428-Y460 HydrophobicContact CH2-CD2 4.27Å; W428-Y460 AromaticContact CH2-CE2 3.78Å; W428-Y460 HydrophobicContact CH2-CE2 3.78Å; W428-Y460 AromaticContact CZ3-CD2 3.82Å; W428-Y460 HydrophobicContact CZ3-CD2 3.82Å; W428-Y460 AromaticContact CZ3-CE2 3.67Å; W428-Y460 HydrophobicContact CZ3-CE2 3.67Å; A429-Y460 HydrophobicContact CB-CD2 4.31Å; A429-Y460 HydrophobicContact CB-CE1 4.07Å; A429-Y460 HydrophobicContact CB-CE2 3.87Å; P430-Y460 HydrophobicContact CG-CG 4.16Å; Y433-Y460 AromaticContact CD1-CD1 3.76Å; Y433-Y460 HydrophobicContact CD1-CD1 3.76Å; Y433-Y460 HydrophobicContact CD2-CD1 4.2Å; Y433-Y460 AromaticContact CE1-CD1 3.68Å; Y433-Y460 HydrophobicContact CE1-CD1 3.68Å; Y433-Y460 HydrophobicContact CE1-CE1 4.08Å; Y433-Y460 HydrophobicContact CE2-CD1 4.13Å; Y433-Y460 HydrophobicContact CG-CD1 4.01Å; Y433-Y460 AromaticContact CZ-CD1 3.87Å; K436-Y460 HydrophobicContact CD-CE1 3.96Å; K436-Y460 VanDerWaalsContact CE-OH 3.31Å; K436-Y460 WeakPolarHBondContact CE-OH 3.15Å; K436-Y460 HydrophobicContact CG-CD1 4.19Å; K436-Y460 HydrophobicContact CG-CE1 4Å; K436-Y460 PolarHBondContact NZ-OH 3.17Å; I458-Y460 HydrophobicContact CG2-CE2 4.25Å; Y460-V462 PolarHBondContact O-N 2.96Å; Y460-G472 CarbonylContact O-C 3.54Å; Y460-G472 WeakPolarHBondContact O-CA 3.4Å; Y460-V473 PolarHBondContact N-O 2.97Å; Y460-V473 PolarHBondContact O-N 3.29Å
461V94.3Very high92.6Very high0 Ų060.7 Ų60.70%033%0.325CS..EExtended strand (participates in β ladder)trans-76.2114.9-177.7179.70000108.7Y433 I434 E435 V437 K463 K464 F470 F481Y433-V461 CarbonylContact C-O 3.5Å; Y433-V461 WeakPolarHBondContact CA-O 3.25Å; Y433-V461 WeakPolarHBondContact CB-O 3.36Å; I434-V461 PolarHBondContact N-O 3.01Å; E435-V461 HydrophobicContact CG-CB 3.95Å; E435-V461 HydrophobicContact CG-CG2 3.92Å; E435-V461 PolarHBondContact O-N 2.74Å; V437-V461 HydrophobicContact CB-CG2 4.41Å; V437-V461 HydrophobicContact CG1-CG2 3.68Å; V437-V461 HydrophobicContact CG2-CG2 3.79Å; V461-K463 WeakPolarHBondContact CG1-O 3.44Å; V461-K464 HydrophobicContact CG1-CG 3.88Å; V461-F470 HydrophobicContact CG1-CB 4.32Å; V461-F470 HydrophobicContact CG2-CD2 4.44Å; V461-F481 HydrophobicContact CG2-CZ 4.27Å
462V92.9Very high92.7Very high58 Ų5860.5 Ų60.535%0.35232%0.324SS..EExtended strand (participates in β ladder)trans-90.1-34.4177.8179.70000110.7P430 I434 Y460 E471 V473P430-V462 HydrophobicContact CB-CG2 4.47Å; P430-V462 HydrophobicContact CG-CG2 4.24Å; I434-V462 WeakPolarHBondContact CD1-O 3.31Å; Y460-V462 PolarHBondContact O-N 2.96Å; V462-E471 PolarHBondContact N-O 3.38Å; V462-V473 HydrophobicContact CG2-CG2 3.95Å
463K92.5Very high92.7Very high104 Ų10458 Ų5845%0.45231%0.309SS..EExtended strand (participates in β ladder)trans-147.4152.5179.4-165.9-172.7173.4-143.40111.2V461 N465 F470 E471V461-K463 WeakPolarHBondContact CG1-O 3.44Å; K463-N465 VanDerWaalsContact CE-OD1 3.29Å; K463-N465 WeakPolarHBondContact CE-OD1 3.36Å; K463-N465 PolarHBondContact NZ-OD1 3.3Å; K463-F470 WeakPolarHBondContact O-CA 3.44Å; K463-E471 HydrophobicContact CB-CB 3.89Å; K463-E471 PolarHBondContact N-O 2.95Å; K463-E471 VanDerWaalsContact N-O 3.1Å; K463-E471 PolarHBondContact O-N 3.06Å
464K93.6Very high92.5Very high89 Ų8957.8 Ų57.839%0.38731%0.308SS..EExtended strand (participates in β ladder)trans-118.9136.4165.3-59.1-171.8172.7-174.10108.9E435 V461 F470E435-K464 WeakPolarHBondContact OE1-CE 3.3Å; E435-K464 IonicContact OE1-NZ 3.11Å; E435-K464 PolarHBondContact OE1-NZ 2.69Å; V461-K464 HydrophobicContact CG1-CG 3.88Å; K464-F470 HydrophobicContact CB-CD1 3.73Å; K464-F470 HydrophobicContact CB-CE1 3.91Å; K464-F470 HydrophobicContact CD-CD1 4.06Å; K464-F470 HydrophobicContact CD-CE1 3.67Å; K464-F470 HydrophobicContact CD-CE2 4.38Å; K464-F470 HydrophobicContact CD-CZ 3.86Å; K464-F470 HydrophobicContact CG-CD1 3.56Å; K464-F470 HydrophobicContact CG-CE1 3.72Å; K464-F470 HydrophobicContact CG-CG 4.04Å; K464-F470 HydrophobicContact CG-CZ 4.28Å
465N91.1Very high92.1Very high38 Ų3857.1 Ų57.120%0.20331%0.307CS..  trans-103154.1172.6-63.5-15.5000110.2K463 D467 G468 W469K463-N465 VanDerWaalsContact CE-OD1 3.29Å; K463-N465 WeakPolarHBondContact CE-OD1 3.36Å; K463-N465 PolarHBondContact NZ-OD1 3.3Å; N465-D467 WeakPolarHBondContact CB-OD1 3.47Å; N465-D467 PolarHBondContact O-N 2.79Å; N465-G468 PolarHBondContact O-N 3.28Å; N465-W469 WeakPolarHBondContact CB-O 3.42Å; N465-W469 PolarHBondContact N-O 3.29Å
466D86Confident91.8Very high181 Ų18152.7 Ų52.797%0.96830%0.298SS*.THydrogen-bonded Turntrans-71.9-8.3-179.5-54.4-61000114G468D466-G468 VanDerWaalsContact C-N 3.3Å
467D87.6Confident91.8Very high108 Ų10854.8 Ų54.858%0.57830%0.302SS*.THydrogen-bonded Turntrans-82.7-3.817459.520.4000113.6N465 W469N465-D467 WeakPolarHBondContact CB-OD1 3.47Å; N465-D467 PolarHBondContact O-N 2.79Å; D467-W469 WeakPolarHBondContact OD1-CB 3.21Å; D467-W469 PolarHBondContact OD1-N 3.17Å
468G90.4Very high91.9Very high38 Ų3857.7 Ų57.739%0.39232%0.318SS..SBendtrans911.7-178.200000115.2N465 D466 G483N465-G468 PolarHBondContact O-N 3.28Å; D466-G468 VanDerWaalsContact C-N 3.3Å; G468-G483 PolarHBondContact O-N 3.32Å
469W94.4Very high91.9Very high72 Ų7255 Ų5527%0.27331%0.305SS..EExtended strand (participates in β ladder)trans-91.1138.1172.4-68.374.7000111.4Y443 E450 N465 D467 L480 F481Y443-W469 WeakPolarHBondContact OH-CH2 3.45Å; E450-W469 HydrophobicContact CG-CH2 4.37Å; E450-W469 HydrophobicContact CG-CZ3 3.87Å; E450-W469 WeakPolarHBondContact OE1-CH2 3.35Å; N465-W469 WeakPolarHBondContact CB-O 3.42Å; N465-W469 PolarHBondContact N-O 3.29Å; D467-W469 WeakPolarHBondContact OD1-CB 3.21Å; D467-W469 PolarHBondContact OD1-N 3.17Å; W469-L480 HydrophobicContact CE3-CB 4.04Å; W469-F481 WeakPolarHBondContact CA-O 3.43Å
470F95.3Very high92Very high32 Ų3256.9 Ų56.914%0.1432%0.316CS..EExtended strand (participates in β ladder)trans-109.4143.4175.4-60-12.8000109.4V461 K463 K464 L480 F481 G483 V486V461-F470 HydrophobicContact CG1-CB 4.32Å; V461-F470 HydrophobicContact CG2-CD2 4.44Å; K463-F470 WeakPolarHBondContact O-CA 3.44Å; K464-F470 HydrophobicContact CB-CD1 3.73Å; K464-F470 HydrophobicContact CB-CE1 3.91Å; K464-F470 HydrophobicContact CD-CD1 4.06Å; K464-F470 HydrophobicContact CD-CE1 3.67Å; K464-F470 HydrophobicContact CD-CE2 4.38Å; K464-F470 HydrophobicContact CD-CZ 3.86Å; K464-F470 HydrophobicContact CG-CD1 3.56Å; K464-F470 HydrophobicContact CG-CE1 3.72Å; K464-F470 HydrophobicContact CG-CG 4.04Å; K464-F470 HydrophobicContact CG-CZ 4.28Å; F470-L480 CarbonylContact O-C 3.49Å; F470-L480 WeakPolarHBondContact O-CA 3.49Å; F470-F481 HydrophobicContact CB-CD2 4.47Å; F470-F481 HydrophobicContact CB-CE1 4.03Å; F470-F481 HydrophobicContact CB-CE2 3.92Å; F470-F481 HydrophobicContact CB-CZ 3.69Å; F470-F481 HydrophobicContact CD2-CE2 4.06Å; F470-F481 HydrophobicContact CD2-CZ 4.29Å; F470-F481 HydrophobicContact CG-CE2 4.47Å; F470-F481 PolarHBondContact N-O 2.86Å; F470-F481 VanDerWaalsContact O-CD1 3.31Å; F470-F481 WeakPolarHBondContact O-CD1 3.32Å; F470-F481 PolarHBondContact O-N 3.06Å; F470-G483 VanDerWaalsContact CE2-CA 3.47Å; F470-V486 HydrophobicContact CD2-CG2 4.25Å; F470-V486 HydrophobicContact CE2-CG2 4.24Å
471E94.9Very high92.1Very high68 Ų6856.7 Ų56.732%0.31832%0.315SS..EExtended strand (participates in β ladder)trans-99.5130.8170.4-166-171.7158.100107.9V462 K463 T478 L480V462-E471 PolarHBondContact N-O 3.38Å; K463-E471 HydrophobicContact CB-CB 3.89Å; K463-E471 PolarHBondContact N-O 2.95Å; K463-E471 VanDerWaalsContact N-O 3.1Å; K463-E471 PolarHBondContact O-N 3.06Å; E471-T478 HydrophobicContact CG-CG2 4.31Å; E471-L480 HydrophobicContact CB-CD2 3.94Å; E471-L480 HydrophobicContact CG-CD2 4.3Å
472G94.4Very high92.1Very high0 Ų057.3 Ų57.30%032%0.319CS..EExtended strand (participates in β ladder)trans-161.4174-179.400000114.6Y460 T478 G479Y460-G472 CarbonylContact O-C 3.54Å; Y460-G472 WeakPolarHBondContact O-CA 3.4Å; G472-T478 WeakPolarHBondContact O-CA 3.39Å; G472-G479 PolarHBondContact N-O 3.45Å; G472-G479 VanDerWaalsContact N-O 3.09Å; G472-G479 PolarHBondContact O-N 3.26Å; G472-G479 VanDerWaalsContact O-N 3.1Å
473V94.1Very high92.1Very high11 Ų1155.1 Ų55.17%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-113.8126.6-175.9-171.40000110.4W428 P430 Y460 V462 V477 T478W428-V473 HydrophobicContact CE3-CG1 4.13Å; W428-V473 HydrophobicContact CZ3-CG1 4.3Å; P430-V473 HydrophobicContact CB-CG2 4.32Å; P430-V473 HydrophobicContact CG-CB 4.15Å; P430-V473 HydrophobicContact CG-CG2 3.9Å; Y460-V473 PolarHBondContact N-O 2.97Å; Y460-V473 PolarHBondContact O-N 3.29Å; V462-V473 HydrophobicContact CG2-CG2 3.95Å; V473-V477 VanDerWaalsContact CA-O 3.31Å; V473-V477 WeakPolarHBondContact CA-O 3.4Å; V473-T478 HydrophobicContact CG2-CG2 4.3Å
474C91.9Very high92.2Very high5 Ų555.5 Ų55.53%0.03432%0.315CS..EExtended strand (participates in β ladder)trans-131.9130.6169.9-172.50000109.8L451 I458 I459 G476 V477L451-C474 HydrophobicContact CD1-CB 4.34Å; L451-C474 HydrophobicContact CD2-CB 3.97Å; L451-C474 HydrophobicContact CG-CB 4.46Å; I458-C474 PolarHBondContact O-SG 3.38Å; I459-C474 HydrophobicContact CG1-CB 4.17Å; I459-C474 HydrophobicContact CG2-CB 4.4Å; C474-G476 PolarHBondContact O-N 3.01Å; C474-V477 PolarHBondContact N-O 3.2Å; C474-V477 PolarHBondContact O-N 3.18Å
475N86.4Confident92.3Very high123 Ų12355 Ų5566%0.65831%0.311SS*.THydrogen-bonded Turntrans53.324.1-178.5-58.8-49000115.3W428W428-N475 VanDerWaalsContact CZ3-N 3.25Å
476G85.1Confident92.4Very high44 Ų4454 Ų5445%0.45431%0.306SS..THydrogen-bonded Turntrans83.65.6-176.300000115.3C474C474-G476 PolarHBondContact O-N 3.01Å
477V90.2Very high92.7Very high89 Ų8951.4 Ų51.454%0.53929%0.289SS..EExtended strand (participates in β ladder)trans-99.4134.8169.4-177.10000108.7L451 V473 C474L451-V477 HydrophobicContact CD1-CB 4.07Å; L451-V477 HydrophobicContact CD1-CG1 3.91Å; L451-V477 WeakPolarHBondContact CD1-O 3.34Å; V473-V477 VanDerWaalsContact CA-O 3.31Å; V473-V477 WeakPolarHBondContact CA-O 3.4Å; C474-V477 PolarHBondContact N-O 3.2Å; C474-V477 PolarHBondContact O-N 3.18Å
478T92.9Very high92.8Very high82 Ų8249 Ų4950%0.50328%0.28SS..EExtended strand (participates in β ladder)trans-103141.4173.6-48.70000109.7E471 G472 V473E471-T478 HydrophobicContact CG-CG2 4.31Å; G472-T478 WeakPolarHBondContact O-CA 3.39Å; V473-T478 HydrophobicContact CG2-CG2 4.3Å
479G94.2Very high92.4Very high8 Ų850 Ų508%0.08228%0.276CS..EExtended strand (participates in β ladder)trans-175.4177170.700000113.1D449 G472D449-G479 WeakPolarHBondContact O-CA 3.33Å; G472-G479 PolarHBondContact N-O 3.45Å; G472-G479 VanDerWaalsContact N-O 3.09Å; G472-G479 PolarHBondContact O-N 3.26Å; G472-G479 VanDerWaalsContact O-N 3.1Å
480L95.4Very high91Very high41 Ų4153.4 Ų53.422%0.21530%0.297CS..EExtended strand (participates in β ladder)trans-84.8144.2176.8-68.4172.5000112.1D449 E450 L451 W469 F470 E471D449-L480 PolarHBondContact O-N 3.37Å; E450-L480 CarbonylContact C-O 3.58Å; E450-L480 WeakPolarHBondContact CA-O 3.49Å; L451-L480 PolarHBondContact N-O 3.16Å; W469-L480 HydrophobicContact CE3-CB 4.04Å; F470-L480 CarbonylContact O-C 3.49Å; F470-L480 WeakPolarHBondContact O-CA 3.49Å; E471-L480 HydrophobicContact CB-CD2 3.94Å; E471-L480 HydrophobicContact CG-CD2 4.3Å
481F95.9Very high88.6Confident0 Ų060.5 Ų60.50%033%0.33CS..EExtended strand (participates in β ladder)trans-150.2154173.362.9-85.8000112.5V437 L451 F453 I459 V461 W469 F470 G483 V486V437-F481 HydrophobicContact CG2-CZ 4.46Å; L451-F481 HydrophobicContact CB-CD1 4.46Å; L451-F481 HydrophobicContact CD2-CD1 3.96Å; L451-F481 HydrophobicContact CD2-CE1 4.32Å; F453-F481 HydrophobicContact CE1-CB 3.6Å; F453-F481 HydrophobicContact CE1-CD2 4.11Å; F453-F481 AromaticContact CE1-CG 3.86Å; F453-F481 HydrophobicContact CE1-CG 3.86Å; F453-F481 HydrophobicContact CZ-CB 4.2Å; F453-F481 HydrophobicContact CZ-CD2 4.2Å; F453-F481 HydrophobicContact CZ-CG 4.38Å; I459-F481 HydrophobicContact CB-CZ 4.49Å; I459-F481 HydrophobicContact CD1-CE1 4.47Å; I459-F481 HydrophobicContact CD1-CE2 4.35Å; I459-F481 HydrophobicContact CD1-CZ 4.28Å; I459-F481 HydrophobicContact CG2-CE1 3.71Å; I459-F481 HydrophobicContact CG2-CZ 3.88Å; V461-F481 HydrophobicContact CG2-CZ 4.27Å; W469-F481 WeakPolarHBondContact CA-O 3.43Å; F470-F481 HydrophobicContact CB-CD2 4.47Å; F470-F481 HydrophobicContact CB-CE1 4.03Å; F470-F481 HydrophobicContact CB-CE2 3.92Å; F470-F481 HydrophobicContact CB-CZ 3.69Å; F470-F481 HydrophobicContact CD2-CE2 4.06Å; F470-F481 HydrophobicContact CD2-CZ 4.29Å; F470-F481 HydrophobicContact CG-CE2 4.47Å; F470-F481 PolarHBondContact N-O 2.86Å; F470-F481 VanDerWaalsContact O-CD1 3.31Å; F470-F481 WeakPolarHBondContact O-CD1 3.32Å; F470-F481 PolarHBondContact O-N 3.06Å; F481-G483 PolarHBondContact O-N 2.95Å; F481-V486 HydrophobicContact CD2-CG1 4.07Å; F481-V486 HydrophobicContact CE2-CB 4.4Å; F481-V486 HydrophobicContact CE2-CG1 3.57Å; F481-V486 HydrophobicContact CE2-CG2 3.88Å; F481-V486 HydrophobicContact CZ-CG1 4.48Å
482P95.2Very high85.9Confident12 Ų1268.1 Ų68.18%0.07836%0.357CS..EExtended strand (participates in β ladder)trans-67.7123177.926.4-35.4000111.7Y443 N484 Y485Y443-P482 HydrophobicContact CD2-CG 3.78Å; Y443-P482 HydrophobicContact CE2-CG 3.58Å; P482-N484 PolarHBondContact O-N 2.94Å; P482-Y485 HydrophobicContact CB-CD2 3.81Å; P482-Y485 HydrophobicContact CB-CE2 4.2Å; P482-Y485 HydrophobicContact CG-CD2 3.36Å; P482-Y485 HydrophobicContact CG-CE2 3.75Å; P482-Y485 HydrophobicContact CG-CG 3.88Å; P482-Y485 PolarHBondContact O-N 3.14Å
483G92.4Very high83Confident13 Ų1373.2 Ų73.213%0.13440%0.4CS..G310 helixtrans-63.7-14.9-175.200000115.2G468 F470 F481 Y485 V486G468-G483 PolarHBondContact O-N 3.32Å; F470-G483 VanDerWaalsContact CE2-CA 3.47Å; F481-G483 PolarHBondContact O-N 2.95Å; G483-Y485 VanDerWaalsContact C-N 3.31Å; G483-V486 WeakPolarHBondContact O-CG2 3.47Å
484N95.4Very high80Confident112 Ų11285.5 Ų85.560%0.59946%0.457SS*.G310 helixtrans-84.41.7175.877-88.7000114.3P482P482-N484 PolarHBondContact O-N 2.94Å
485Y94.1Very high79.4Confident77 Ų7789.6 Ų89.630%0.30248%0.478SS..G310 helixtrans-95.94.2175.2-79.9-117.3000112.6A439 I440 Y441 Y443 P482 G483A439-Y485 WeakPolarHBondContact CA-O 3.39Å; I440-Y485 WeakPolarHBondContact CG1-O 3.41Å; I440-Y485 PolarHBondContact N-O 2.99Å; Y441-Y485 HydrophobicContact CD2-CD1 4.2Å; Y441-Y485 HydrophobicContact CD2-CG 4.4Å; Y441-Y485 HydrophobicContact CG-CD1 4.45Å; Y443-Y485 HydrophobicContact CD2-CD1 4.04Å; Y443-Y485 AromaticContact CD2-CE1 3.98Å; Y443-Y485 HydrophobicContact CD2-CE1 3.98Å; Y443-Y485 HydrophobicContact CD2-CG 4.49Å; P482-Y485 HydrophobicContact CB-CD2 3.81Å; P482-Y485 HydrophobicContact CB-CE2 4.2Å; P482-Y485 HydrophobicContact CG-CD2 3.36Å; P482-Y485 HydrophobicContact CG-CE2 3.75Å; P482-Y485 HydrophobicContact CG-CG 3.88Å; P482-Y485 PolarHBondContact O-N 3.14Å; G483-Y485 VanDerWaalsContact C-N 3.31Å
486V93.4Very high79Confident17 Ų1787.8 Ų87.810%0.10347%0.468CS..EExtended strand (participates in β ladder)trans-134.7159.2-176.1-60.40000112.7V437 V438 F453 I459 F470 F481 G483V437-V486 HydrophobicContact CB-CB 3.92Å; V437-V486 HydrophobicContact CB-CG2 4.08Å; V437-V486 HydrophobicContact CG1-CG2 4.37Å; V437-V486 HydrophobicContact CG2-CB 3.73Å; V437-V486 HydrophobicContact CG2-CG1 3.86Å; V437-V486 HydrophobicContact CG2-CG2 3.89Å; V438-V486 CarbonylContact O-C 3.58Å; V438-V486 WeakPolarHBondContact O-CA 3.41Å; F453-V486 HydrophobicContact CZ-CG1 4.49Å; I459-V486 HydrophobicContact CD1-CG1 4.09Å; F470-V486 HydrophobicContact CD2-CG2 4.25Å; F470-V486 HydrophobicContact CE2-CG2 4.24Å; F481-V486 HydrophobicContact CD2-CG1 4.07Å; F481-V486 HydrophobicContact CE2-CB 4.4Å; F481-V486 HydrophobicContact CE2-CG1 3.57Å; F481-V486 HydrophobicContact CE2-CG2 3.88Å; F481-V486 HydrophobicContact CZ-CG1 4.48Å; G483-V486 WeakPolarHBondContact O-CG2 3.47Å
487E92.6Very high78.7Confident127 Ų12790.2 Ų90.259%0.59347%0.469SS*.EExtended strand (participates in β ladder)trans-130.3141.1173.2-173.7171.5-151.600110.5V437 V438 I440V437-E487 CarbonylContact C-O 3.49Å; V437-E487 VanDerWaalsContact CA-O 3.28Å; V437-E487 WeakPolarHBondContact CA-O 3.4Å; V437-E487 WeakPolarHBondContact CB-O 3.44Å; V438-E487 HydrophobicContact CG1-CB 4.38Å; V438-E487 PolarHBondContact N-O 2.94Å; V438-E487 PolarHBondContact O-N 3.01Å; I440-E487 HydrophobicContact CG2-CB 3.86Å
488S89.2Confident78Confident58 Ų5890.3 Ų90.341%0.40647%0.465SS..EExtended strand (participates in β ladder)trans-68.9131.5-178.9-55.80000112E435 M490E435-S488 VanDerWaalsContact OE2-CB 3.26Å; E435-S488 WeakPolarHBondContact OE2-CB 3.31Å; E435-S488 PolarHBondContact OE2-OG 2.65Å; S488-M490 PolarHBondContact O-N 3.37Å; S488-M490 VanDerWaalsContact O-N 3.14Å
489I83Confident77.1Confident60 Ų6090.8 Ų90.831%0.30846%0.463SS..  trans-76.6-0.9-173.8-62.4-179.8000113.1K436 V438 I458 H491K436-I489 HydrophobicContact CG-CD1 4.25Å; K436-I489 WeakPolarHBondContact O-CB 3.43Å; K436-I489 WeakPolarHBondContact O-CG1 3.48Å; K436-I489 PolarHBondContact O-N 3.39Å; V438-I489 HydrophobicContact CB-CD1 3.87Å; V438-I489 HydrophobicContact CB-CG1 3.91Å; V438-I489 HydrophobicContact CG1-CG1 4.09Å; I458-I489 HydrophobicContact CD1-CD1 3.55Å; I458-I489 HydrophobicContact CG2-CD1 4.3Å; I489-H491 VanDerWaalsContact C-N 3.31Å; I489-H491 PolarHBondContact O-N 3.35Å
490M65.2Low75.9Confident143 Ų14396.3 Ų96.370%0.70449%0.488SS*.  trans-61.781.7-179.6-66.2-66.9-86.500112.6S488 Y492S488-M490 PolarHBondContact O-N 3.37Å; S488-M490 VanDerWaalsContact O-N 3.14Å; M490-Y492 PolarHBondContact O-N 3.22Å
491H43.5Very low74.6Confident181 Ų181100.3 Ų100.384%0.83851%0.507SS*.PPolyproline II helixtrans-64.4131.9174.9-100.852.1000110.9I489 A493I489-H491 VanDerWaalsContact C-N 3.31Å; I489-H491 PolarHBondContact O-N 3.35Å; H491-A493 PolarHBondContact O-N 2.93Å
492Y38.5Very low72.9Confident227 Ų227108 Ų10889%0.8955%0.547SS*.PPolyproline II helixtrans-57.2130.4166.5-66-87.2000110M490M490-Y492 PolarHBondContact O-N 3.22Å
493A34.4Very low71.1Confident108 Ų108116 Ų11689%0.89359%0.586SS**PPolyproline II helixtrans-70.6130.116600000109.3H491H491-A493 PolarHBondContact O-N 2.93Å
494E31.1Very low69.1Low269 Ų269125.4 Ų125.4100%1.25763%0.627SS**  trans-96.30178.3-168.2178.8-136.300111.4

Retrieved 494 of 494 residues in 561.2 ms (Link to these results)