A0A3B3TIT4_9TELE Loading...

TRAF family member-associated NFKB activator

AlphaFold DB , UniProt , Accession A0A3B3TIT4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 336 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
1M47.4Very low81.9Confident232 Ų232131.6 Ų131.6100%1.14366%0.655SS**  096.30-73-145.2-89.400107R3M1-R3 PolarHBondContact O-N 3.35Å; M1-R3 VanDerWaalsContact O-N 3.13Å
2D57.8Low83.2Confident144 Ų144125.7 Ų125.777%0.7764%0.642SS**  trans-60.1110.4-175.6-57.2-65.5000109.4N4 I5D2-N4 VanDerWaalsContact C-N 3.28Å; D2-N4 PolarHBondContact O-N 3.35Å; D2-I5 HydrophobicContact CB-CD1 4.35Å
3R64.1Low84.3Confident233 Ų233126.9 Ų126.988%0.87964%0.641SS**  trans-67.595.5172.9-74.6-178.6173.1178.5-2.1107.5M1 I5M1-R3 PolarHBondContact O-N 3.35Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-I5 PolarHBondContact O-N 2.96Å; R3-I5 VanDerWaalsContact O-N 3.15Å
4N75.9Confident85.3Confident86 Ų86124.8 Ų124.846%0.4663%0.627SS.*  trans43.461.2143.6-156.3-15.9000115.8D2 G6 D7 Q8D2-N4 VanDerWaalsContact C-N 3.28Å; D2-N4 PolarHBondContact O-N 3.35Å; N4-G6 PolarHBondContact O-N 3.31Å; N4-D7 HydrophobicContact CB-CB 4.3Å; N4-D7 VanDerWaalsContact CG-CB 3.44Å; N4-D7 PolarHBondContact ND2-OD1 2.9Å; N4-D7 PolarHBondContact ND2-OD2 2.86Å; N4-D7 PolarHBondContact O-N 2.95Å; N4-D7 VanDerWaalsContact OD1-CB 3.32Å; N4-D7 WeakPolarHBondContact OD1-CB 3.13Å; N4-D7 PolarHBondContact OD1-N 3.49Å; N4-D7 PolarHBondContact OD1-OD1 3.07Å; N4-Q8 PolarHBondContact O-N 3Å
5I88.3Confident86.1Confident105 Ų105120 Ų12054%0.53862%0.615SS.*Hα-helixtrans-58.1-31.4175.6-66.6144.3000111D2 R3 Q8 L9D2-I5 HydrophobicContact CB-CD1 4.35Å; R3-I5 PolarHBondContact O-N 2.96Å; R3-I5 VanDerWaalsContact O-N 3.15Å; I5-Q8 PolarHBondContact O-N 2.94Å; I5-L9 HydrophobicContact CG2-CD1 4.04Å; I5-L9 HydrophobicContact CG2-CG 4.45Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 VanDerWaalsContact O-CG 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 3.09Å
6G92.2Very high86.9Confident45 Ų45123.1 Ų123.146%0.46462%0.618SS.*Hα-helixtrans-61.2-49.917500000112.9N4 Q8 L9 N10N4-G6 PolarHBondContact O-N 3.31Å; G6-Q8 VanDerWaalsContact C-N 3.31Å; G6-Q8 PolarHBondContact O-N 2.94Å; G6-L9 PolarHBondContact O-N 3.42Å; G6-N10 WeakPolarHBondContact O-CB 3.44Å; G6-N10 PolarHBondContact O-N 2.95Å
7D93.6Very high87.5Confident105 Ų105125.1 Ų125.156%0.56162%0.616SS**Hα-helixtrans-66-35.1177.9-76.58000112.1N4 N10 K11N4-D7 HydrophobicContact CB-CB 4.3Å; N4-D7 VanDerWaalsContact CG-CB 3.44Å; N4-D7 PolarHBondContact ND2-OD1 2.9Å; N4-D7 PolarHBondContact ND2-OD2 2.86Å; N4-D7 PolarHBondContact O-N 2.95Å; N4-D7 VanDerWaalsContact OD1-CB 3.32Å; N4-D7 WeakPolarHBondContact OD1-CB 3.13Å; N4-D7 PolarHBondContact OD1-N 3.49Å; N4-D7 PolarHBondContact OD1-OD1 3.07Å; D7-N10 PolarHBondContact O-N 3.45Å; D7-K11 VanDerWaalsContact O-CB 3.25Å; D7-K11 WeakPolarHBondContact O-CB 3.43Å; D7-K11 PolarHBondContact O-N 2.85Å
8Q94.1Very high88.2Confident139 Ų139123.6 Ų123.665%0.6561%0.607SS**Hα-helixtrans-64.4-43.2175.6-172173.912.100111.3N4 I5 G6 A12N4-Q8 PolarHBondContact O-N 3Å; I5-Q8 PolarHBondContact O-N 2.94Å; G6-Q8 VanDerWaalsContact C-N 3.31Å; G6-Q8 PolarHBondContact O-N 2.94Å; Q8-A12 WeakPolarHBondContact O-CB 3.33Å; Q8-A12 PolarHBondContact O-N 2.85Å
9L95.3Very high88.7Confident96 Ų96121.7 Ų121.750%0.50360%0.603SS.*Hα-helixtrans-63.7-48174.8-72.9169.6000110.9I5 G6 K11 A12 F13I5-L9 HydrophobicContact CG2-CD1 4.04Å; I5-L9 HydrophobicContact CG2-CG 4.45Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 VanDerWaalsContact O-CG 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 3.09Å; G6-L9 PolarHBondContact O-N 3.42Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 2.92Å; L9-A12 WeakPolarHBondContact O-CB 3.36Å; L9-A12 PolarHBondContact O-N 2.95Å; L9-A12 VanDerWaalsContact O-N 3.09Å; L9-F13 HydrophobicContact CB-CE2 4.44Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 3.38Å
10N96Very high89.2Confident98 Ų98117.4 Ų117.452%0.52459%0.585SS.*Hα-helixtrans-59.7-42.2179.2-164.362.7000111.8G6 D7 A12 F13 E14G6-N10 WeakPolarHBondContact O-CB 3.44Å; G6-N10 PolarHBondContact O-N 2.95Å; D7-N10 PolarHBondContact O-N 3.45Å; N10-A12 PolarHBondContact O-N 2.91Å; N10-F13 PolarHBondContact O-N 3.28Å; N10-E14 PolarHBondContact O-N 3.48Å
11K96.6Very high89.6Confident165 Ų165115 Ų11572%0.71757%0.574SS**Hα-helixtrans-62.5-40.6174.6-175.2176.4-178.4178.10112.3D7 L9 A15D7-K11 VanDerWaalsContact O-CB 3.25Å; D7-K11 WeakPolarHBondContact O-CB 3.43Å; D7-K11 PolarHBondContact O-N 2.85Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 2.92Å; K11-A15 WeakPolarHBondContact O-CB 3.33Å; K11-A15 PolarHBondContact O-N 3.33Å
12A96.9Very high92Very high60 Ų60108.9 Ų108.950%0.49654%0.543SS..Hα-helixtrans-65.7-39.4176.300000111.7Q8 L9 N10 A15 Y16Q8-A12 WeakPolarHBondContact O-CB 3.33Å; Q8-A12 PolarHBondContact O-N 2.85Å; L9-A12 WeakPolarHBondContact O-CB 3.36Å; L9-A12 PolarHBondContact O-N 2.95Å; L9-A12 VanDerWaalsContact O-N 3.09Å; N10-A12 PolarHBondContact O-N 2.91Å; A12-A15 PolarHBondContact O-N 2.97Å; A12-Y16 WeakPolarHBondContact O-CB 3.47Å; A12-Y16 PolarHBondContact O-N 3.49Å
13F97.8Very high94Very high142 Ų142107.8 Ų107.862%0.62353%0.531SS*.Hα-helixtrans-63.2-45.4175.2-80.9-67.6000112.4L9 N10 Y16 R17L9-F13 HydrophobicContact CB-CE2 4.44Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 3.38Å; N10-F13 PolarHBondContact O-N 3.28Å; F13-Y16 PolarHBondContact O-N 3.04Å; F13-R17 PolarHBondContact O-N 2.88Å
14E97.8Very high95.6Very high97 Ų97100.2 Ų100.245%0.45351%0.508SS..Hα-helixtrans-66.2-39.5177.1-70.1-62168.300112.2N10 Y16 R17 Q18N10-E14 PolarHBondContact O-N 3.48Å; E14-Y16 VanDerWaalsContact C-N 3.35Å; E14-Y16 PolarHBondContact O-N 3.42Å; E14-R17 PolarHBondContact O-N 3.38Å; E14-R17 IonicContact OE2-NH1 3.99Å; E14-Q18 WeakPolarHBondContact O-CB 3.25Å; E14-Q18 PolarHBondContact O-N 2.91Å
15A98Very high96.7Very high53 Ų53100 Ų10044%0.43851%0.507SS..Hα-helixtrans-61.2-43.8174.100000111.7K11 A12 R17 Q18 V19K11-A15 WeakPolarHBondContact O-CB 3.33Å; K11-A15 PolarHBondContact O-N 3.33Å; A12-A15 PolarHBondContact O-N 2.97Å; A15-R17 PolarHBondContact O-N 3.4Å; A15-Q18 PolarHBondContact O-N 2.96Å; A15-V19 WeakPolarHBondContact O-CG2 3.39Å; A15-V19 PolarHBondContact O-N 3.36Å
16Y98.2Very high97.2Very high170 Ų17098 Ų9867%0.66751%0.506SS*.Hα-helixtrans-61-44.2175.5173.7-96000112A12 F13 E14 Q18 V19 S20A12-Y16 WeakPolarHBondContact O-CB 3.47Å; A12-Y16 PolarHBondContact O-N 3.49Å; F13-Y16 PolarHBondContact O-N 3.04Å; E14-Y16 VanDerWaalsContact C-N 3.35Å; E14-Y16 PolarHBondContact O-N 3.42Å; Y16-Q18 VanDerWaalsContact C-N 3.34Å; Y16-Q18 PolarHBondContact O-N 3Å; Y16-V19 PolarHBondContact O-N 3Å; Y16-S20 WeakPolarHBondContact O-CB 3.45Å; Y16-S20 PolarHBondContact O-N 2.91Å; Y16-S20 PolarHBondContact O-OG 3.22Å
17R98.5Very high97.5Very high157 Ų157101.5 Ų101.559%0.59251%0.511SS*.Hα-helixtrans-60.8-44.4177.2-175.3178.3177.8-117.1-3111.4F13 E14 A15 S20 I21F13-R17 PolarHBondContact O-N 2.88Å; E14-R17 PolarHBondContact O-N 3.38Å; E14-R17 IonicContact OE2-NH1 3.99Å; A15-R17 PolarHBondContact O-N 3.4Å; R17-S20 WeakPolarHBondContact O-CB 3.12Å; R17-S20 PolarHBondContact O-N 3.35Å; R17-I21 HydrophobicContact CG-CD1 4.32Å; R17-I21 WeakPolarHBondContact O-CG1 3.38Å; R17-I21 PolarHBondContact O-N 3.33Å; R17-I21 VanDerWaalsContact O-N 3.09Å
18Q98.4Very high97.7Very high97 Ų97102.7 Ų102.745%0.45351%0.511SS..Hα-helixtrans-63-49.7178.6-176.558.92900111.9E14 A15 Y16 S20 I21 E22E14-Q18 WeakPolarHBondContact O-CB 3.25Å; E14-Q18 PolarHBondContact O-N 2.91Å; A15-Q18 PolarHBondContact O-N 2.96Å; Y16-Q18 VanDerWaalsContact C-N 3.34Å; Y16-Q18 PolarHBondContact O-N 3Å; Q18-S20 PolarHBondContact O-N 2.96Å; Q18-I21 PolarHBondContact O-N 2.91Å; Q18-I21 VanDerWaalsContact O-N 3.12Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.18Å; Q18-E22 PolarHBondContact NE2-OE1 3.2Å; Q18-E22 PolarHBondContact O-N 3.01Å
19V98.4Very high97.9Very high88 Ų88101.3 Ų101.353%0.53350%0.504SS..Hα-helixtrans-60.5-35.9177172.10000111.4A15 Y16 E22 K23A15-V19 WeakPolarHBondContact O-CG2 3.39Å; A15-V19 PolarHBondContact O-N 3.36Å; Y16-V19 PolarHBondContact O-N 3Å; V19-E22 PolarHBondContact O-N 3.3Å; V19-K23 VanDerWaalsContact O-CB 3.32Å; V19-K23 WeakPolarHBondContact O-CB 3.48Å; V19-K23 PolarHBondContact O-N 2.94Å
20S98.3Very high98.1Very high35 Ų35102.4 Ų102.425%0.24551%0.51CS..Hα-helixtrans-63.9-42.6176.2-60.60000112Y16 R17 Q18 K23 D24Y16-S20 WeakPolarHBondContact O-CB 3.45Å; Y16-S20 PolarHBondContact O-N 2.91Å; Y16-S20 PolarHBondContact O-OG 3.22Å; R17-S20 WeakPolarHBondContact O-CB 3.12Å; R17-S20 PolarHBondContact O-N 3.35Å; Q18-S20 PolarHBondContact O-N 2.96Å; S20-K23 PolarHBondContact O-N 3.24Å; S20-D24 PolarHBondContact O-N 3.48Å
21I98.5Very high98.2Very high69 Ų69101.7 Ų101.735%0.35450%0.504SS..Hα-helixtrans-65.1-44.6176.1-66.6164.7000110.7R17 Q18 K23 D24 N25R17-I21 HydrophobicContact CG-CD1 4.32Å; R17-I21 WeakPolarHBondContact O-CG1 3.38Å; R17-I21 PolarHBondContact O-N 3.33Å; R17-I21 VanDerWaalsContact O-N 3.09Å; Q18-I21 PolarHBondContact O-N 2.91Å; Q18-I21 VanDerWaalsContact O-N 3.12Å; I21-K23 VanDerWaalsContact C-N 3.34Å; I21-K23 PolarHBondContact O-N 2.86Å; I21-D24 PolarHBondContact O-N 2.95Å; I21-N25 WeakPolarHBondContact O-CB 3.38Å; I21-N25 VanDerWaalsContact O-CG 3.3Å; I21-N25 PolarHBondContact O-N 3.29Å; I21-N25 PolarHBondContact O-ND2 3.12Å
22E98.4Very high98.3Very high102 Ų10299.5 Ų99.548%0.47749%0.494SS..Hα-helixtrans-61.8-41.9177.9-73.7171.2-165.300111.9Q18 V19 D24 N25 A26Q18-E22 WeakPolarHBondContact CG-OE1 3.18Å; Q18-E22 PolarHBondContact NE2-OE1 3.2Å; Q18-E22 PolarHBondContact O-N 3.01Å; V19-E22 PolarHBondContact O-N 3.3Å; E22-D24 PolarHBondContact O-N 2.9Å; E22-N25 PolarHBondContact O-N 3.12Å; E22-A26 WeakPolarHBondContact O-CB 3.34Å; E22-A26 PolarHBondContact O-N 3.43Å
23K98.4Very high98.4Very high121 Ų121101.4 Ų101.453%0.52649%0.494SS..Hα-helixtrans-59.7-45.6174.6-172.5-14363.51530111.2V19 S20 I21 N25 A26 Q27V19-K23 VanDerWaalsContact O-CB 3.32Å; V19-K23 WeakPolarHBondContact O-CB 3.48Å; V19-K23 PolarHBondContact O-N 2.94Å; S20-K23 PolarHBondContact O-N 3.24Å; I21-K23 VanDerWaalsContact C-N 3.34Å; I21-K23 PolarHBondContact O-N 2.86Å; K23-N25 VanDerWaalsContact C-N 3.35Å; K23-A26 PolarHBondContact O-N 3.3Å; K23-Q27 WeakPolarHBondContact O-CB 3.49Å; K23-Q27 PolarHBondContact O-N 3.36Å
24D98.6Very high98.4Very high74 Ų74100.2 Ų100.240%0.39649%0.488SS..Hα-helixtrans-67.3-36178.9-70.7-10.2000111.9S20 I21 E22 Q27 K28S20-D24 PolarHBondContact O-N 3.48Å; I21-D24 PolarHBondContact O-N 2.95Å; E22-D24 PolarHBondContact O-N 2.9Å; D24-Q27 PolarHBondContact O-N 3.3Å; D24-K28 WeakPolarHBondContact O-CG 3.47Å; D24-K28 PolarHBondContact O-N 3.22Å
25N98.6Very high98.5Very high82 Ų8299.8 Ų99.844%0.43949%0.486SS..Hα-helixtrans-66.9-46.6174.1-72.6-20000111.7I21 E22 K23 Q27 K28 E29I21-N25 WeakPolarHBondContact O-CB 3.38Å; I21-N25 VanDerWaalsContact O-CG 3.3Å; I21-N25 PolarHBondContact O-N 3.29Å; I21-N25 PolarHBondContact O-ND2 3.12Å; E22-N25 PolarHBondContact O-N 3.12Å; K23-N25 VanDerWaalsContact C-N 3.35Å; N25-Q27 PolarHBondContact O-N 3.07Å; N25-K28 WeakPolarHBondContact O-CB 3.4Å; N25-K28 PolarHBondContact O-N 3Å; N25-K28 VanDerWaalsContact O-N 3.11Å; N25-E29 PolarHBondContact O-N 3.48Å
26A98.5Very high98.5Very high63 Ų63102.1 Ų102.152%0.52149%0.488SS..Hα-helixtrans-59.2-38.8175.400000111.4E22 K23 E29 L30E22-A26 WeakPolarHBondContact O-CB 3.34Å; E22-A26 PolarHBondContact O-N 3.43Å; K23-A26 PolarHBondContact O-N 3.3Å; A26-E29 PolarHBondContact O-N 3.19Å; A26-L30 WeakPolarHBondContact O-CB 3.23Å; A26-L30 PolarHBondContact O-N 3.11Å
27Q98.4Very high98.5Very high119 Ų119100.4 Ų100.456%0.55648%0.481SS*.Hα-helixtrans-64.5-40.5175.5-172.5175.3-11.400112.2K23 D24 N25 Q31K23-Q27 WeakPolarHBondContact O-CB 3.49Å; K23-Q27 PolarHBondContact O-N 3.36Å; D24-Q27 PolarHBondContact O-N 3.3Å; N25-Q27 PolarHBondContact O-N 3.07Å; Q27-Q31 WeakPolarHBondContact O-CB 3.24Å; Q27-Q31 PolarHBondContact O-N 3.37Å
28K98.6Very high98.5Very high129 Ų12997.6 Ų97.656%0.56148%0.475SS*.Hα-helixtrans-64.6-44175.2-73.6171.6-176.1171.30112.3D24 N25 Q31 K32D24-K28 WeakPolarHBondContact O-CG 3.47Å; D24-K28 PolarHBondContact O-N 3.22Å; N25-K28 WeakPolarHBondContact O-CB 3.4Å; N25-K28 PolarHBondContact O-N 3Å; N25-K28 VanDerWaalsContact O-N 3.11Å; K28-Q31 PolarHBondContact O-N 2.83Å; K28-K32 WeakPolarHBondContact O-CG 3.49Å; K28-K32 PolarHBondContact O-N 2.99Å
29E98.4Very high98.6Very high111 Ų11199.2 Ų99.252%0.51948%0.482SS..Hα-helixtrans-65.8-40.3178-68.4-52.6128.700111.8N25 A26 Q31 K32 M33N25-E29 PolarHBondContact O-N 3.48Å; A26-E29 PolarHBondContact O-N 3.19Å; E29-Q31 VanDerWaalsContact C-N 3.31Å; E29-Q31 PolarHBondContact O-N 3.48Å; E29-K32 PolarHBondContact O-N 3.48Å; E29-K32 IonicContact OE1-NZ 3.93Å; E29-K32 PolarHBondContact OE1-NZ 3.44Å; E29-K32 IonicContact OE2-NZ 2.75Å; E29-M33 WeakPolarHBondContact O-CB 3.05Å; E29-M33 PolarHBondContact O-N 3.16Å
30L98.6Very high98.6Very high119 Ų119101.6 Ų101.662%0.62348%0.483SS*.Hα-helixtrans-59.7-43.4172.4-174.1152.6000111.3A26 M33 K34A26-L30 WeakPolarHBondContact O-CB 3.23Å; A26-L30 PolarHBondContact O-N 3.11Å; L30-M33 PolarHBondContact O-N 3.01Å; L30-K34 WeakPolarHBondContact O-CB 3.43Å; L30-K34 PolarHBondContact O-N 2.91Å
31Q98.7Very high98.6Very high83 Ų83103.4 Ų103.439%0.38849%0.492SS..Hα-helixtrans-63.8-45.2178.6-177.760.627.200111.9Q27 K28 E29 M33 K34 E35Q27-Q31 WeakPolarHBondContact O-CB 3.24Å; Q27-Q31 PolarHBondContact O-N 3.37Å; K28-Q31 PolarHBondContact O-N 2.83Å; E29-Q31 VanDerWaalsContact C-N 3.31Å; E29-Q31 PolarHBondContact O-N 3.48Å; Q31-M33 VanDerWaalsContact C-N 3.34Å; Q31-M33 PolarHBondContact O-N 3.31Å; Q31-K34 WeakPolarHBondContact O-CB 3.34Å; Q31-K34 PolarHBondContact O-N 3.33Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.35Å; Q31-E35 PolarHBondContact NE2-OE1 3.42Å; Q31-E35 WeakPolarHBondContact O-CG 3.4Å; Q31-E35 PolarHBondContact O-N 3.16Å
32K98.7Very high98.6Very high118 Ų118105.6 Ų105.651%0.51350%0.501SS..Hα-helixtrans-59.3-45.1174.4-72175.6-175.4167.60111.9K28 E29 K34 E35 H36K28-K32 WeakPolarHBondContact O-CG 3.49Å; K28-K32 PolarHBondContact O-N 2.99Å; E29-K32 PolarHBondContact O-N 3.48Å; E29-K32 IonicContact OE1-NZ 3.93Å; E29-K32 PolarHBondContact OE1-NZ 3.44Å; E29-K32 IonicContact OE2-NZ 2.75Å; K32-K34 VanDerWaalsContact C-N 3.31Å; K32-K34 PolarHBondContact O-N 3.35Å; K32-E35 PolarHBondContact O-N 3.46Å; K32-H36 WeakPolarHBondContact O-CB 3.13Å; K32-H36 PolarHBondContact O-N 2.87Å
33M98.6Very high98.6Very high100 Ų100105.2 Ų105.249%0.49350%0.499SS..Hα-helixtrans-62.5-41.4179.2-172.663.180.200111.2E29 L30 Q31 H36 Y37E29-M33 WeakPolarHBondContact O-CB 3.05Å; E29-M33 PolarHBondContact O-N 3.16Å; L30-M33 PolarHBondContact O-N 3.01Å; Q31-M33 VanDerWaalsContact C-N 3.34Å; Q31-M33 PolarHBondContact O-N 3.31Å; M33-H36 PolarHBondContact O-N 3.07Å; M33-Y37 HydrophobicContact CG-CD2 3.76Å; M33-Y37 HydrophobicContact CG-CE2 3.52Å; M33-Y37 WeakPolarHBondContact O-CD2 3.36Å; M33-Y37 PolarHBondContact O-N 3.31Å; M33-Y37 HydrophobicContact SD-CD2 3.84Å; M33-Y37 HydrophobicContact SD-CE2 3.24Å; M33-Y37 WeakPolarHBondContact SD-CE2 3.23Å
34K98.7Very high98.6Very high118 Ų118103.1 Ų103.151%0.51349%0.493SS..Hα-helixtrans-59.4-50174.7-177.8-171.9172.8-170.20111.3L30 Q31 K32 H36 Y37 E38L30-K34 WeakPolarHBondContact O-CB 3.43Å; L30-K34 PolarHBondContact O-N 2.91Å; Q31-K34 WeakPolarHBondContact O-CB 3.34Å; Q31-K34 PolarHBondContact O-N 3.33Å; K32-K34 VanDerWaalsContact C-N 3.31Å; K32-K34 PolarHBondContact O-N 3.35Å; K34-H36 VanDerWaalsContact C-N 3.33Å; K34-H36 PolarHBondContact O-N 3.01Å; K34-Y37 PolarHBondContact O-N 3.5Å; K34-E38 WeakPolarHBondContact O-CB 3.47Å; K34-E38 PolarHBondContact O-N 3.24Å
35E98.7Very high98.6Very high87 Ų87103.5 Ų103.541%0.40750%0.495SS..Hα-helixtrans-60.7-42.2179.2-72.6167.9-166.800111.8Q31 K32 E38 Q39Q31-E35 WeakPolarHBondContact CG-OE1 3.35Å; Q31-E35 PolarHBondContact NE2-OE1 3.42Å; Q31-E35 WeakPolarHBondContact O-CG 3.4Å; Q31-E35 PolarHBondContact O-N 3.16Å; K32-E35 PolarHBondContact O-N 3.46Å; E35-E38 PolarHBondContact O-N 2.8Å; E35-Q39 WeakPolarHBondContact O-CG 3.18Å; E35-Q39 PolarHBondContact O-N 3.17Å
36H98.7Very high98.6Very high103 Ų103104.8 Ų104.848%0.47750%0.497SS..Hα-helixtrans-59.1-49.9175.9172.4-91000112K32 M33 K34 E38 Q39 Y40K32-H36 WeakPolarHBondContact O-CB 3.13Å; K32-H36 PolarHBondContact O-N 2.87Å; M33-H36 PolarHBondContact O-N 3.07Å; K34-H36 VanDerWaalsContact C-N 3.33Å; K34-H36 PolarHBondContact O-N 3.01Å; H36-E38 VanDerWaalsContact C-N 3.33Å; H36-E38 PolarHBondContact O-N 3.5Å; H36-Q39 PolarHBondContact O-N 3.44Å; H36-Y40 WeakPolarHBondContact O-CB 3.31Å; H36-Y40 PolarHBondContact O-N 3.22Å
37Y98.7Very high98.7Very high133 Ų133106.1 Ų106.152%0.52249%0.492SS..Hα-helixtrans-69.8-31.3179.8-76.1-58.6000113.1M33 K34 Y40 T41M33-Y37 HydrophobicContact CG-CD2 3.76Å; M33-Y37 HydrophobicContact CG-CE2 3.52Å; M33-Y37 WeakPolarHBondContact O-CD2 3.36Å; M33-Y37 PolarHBondContact O-N 3.31Å; M33-Y37 HydrophobicContact SD-CD2 3.84Å; M33-Y37 HydrophobicContact SD-CE2 3.24Å; M33-Y37 WeakPolarHBondContact SD-CE2 3.23Å; K34-Y37 PolarHBondContact O-N 3.5Å; Y37-Y40 PolarHBondContact O-N 3.29Å; Y37-T41 WeakPolarHBondContact O-CB 3.37Å; Y37-T41 PolarHBondContact O-N 2.98Å; Y37-T41 PolarHBondContact O-OG1 2.94Å
38E98.8Very high98.7Very high99 Ų99104 Ų10446%0.46348%0.484SS..Hα-helixtrans-63.2-47.8173.9-174.8166.6-170.400110.9K34 E35 H36 T41 Q42K34-E38 WeakPolarHBondContact O-CB 3.47Å; K34-E38 PolarHBondContact O-N 3.24Å; E35-E38 PolarHBondContact O-N 2.8Å; H36-E38 VanDerWaalsContact C-N 3.33Å; H36-E38 PolarHBondContact O-N 3.5Å; E38-T41 PolarHBondContact O-N 3.49Å; E38-Q42 VanDerWaalsContact O-CG 3.31Å; E38-Q42 WeakPolarHBondContact O-CG 3.4Å; E38-Q42 PolarHBondContact O-N 3.13Å
39Q98.8Very high98.7Very high130 Ų130102.9 Ų102.961%0.60748%0.48SS*.Hα-helixtrans-61.7-45.7174.5-70.1173.18.900112.1E35 H36 T41 Q42 E43E35-Q39 WeakPolarHBondContact O-CG 3.18Å; E35-Q39 PolarHBondContact O-N 3.17Å; H36-Q39 PolarHBondContact O-N 3.44Å; Q39-T41 VanDerWaalsContact C-N 3.29Å; Q39-T41 PolarHBondContact O-N 3.33Å; Q39-Q42 PolarHBondContact O-N 2.96Å; Q39-E43 PolarHBondContact O-N 2.86Å
40Y98.8Very high98.7Very high139 Ų139101.1 Ų101.155%0.54548%0.475SS..Hα-helixtrans-59.1-41.9177.9179.1-103.5000112.1H36 Y37 E43 L44H36-Y40 WeakPolarHBondContact O-CB 3.31Å; H36-Y40 PolarHBondContact O-N 3.22Å; Y37-Y40 PolarHBondContact O-N 3.29Å; Y40-E43 PolarHBondContact O-N 3.39Å; Y40-L44 PolarHBondContact O-N 3.16Å
41T98.6Very high98.7Very high72 Ų72101.3 Ų101.344%0.44247%0.472SS..Hα-helixtrans-67-42.2178.3-55.60000111.1Y37 E38 Q39 L44 I45Y37-T41 WeakPolarHBondContact O-CB 3.37Å; Y37-T41 PolarHBondContact O-N 2.98Å; Y37-T41 PolarHBondContact O-OG1 2.94Å; E38-T41 PolarHBondContact O-N 3.49Å; Q39-T41 VanDerWaalsContact C-N 3.29Å; Q39-T41 PolarHBondContact O-N 3.33Å; T41-L44 PolarHBondContact O-N 3.3Å; T41-I45 HydrophobicContact CG2-CD1 3.96Å; T41-I45 VanDerWaalsContact O-CG1 3.27Å; T41-I45 WeakPolarHBondContact O-CG1 3.29Å; T41-I45 PolarHBondContact O-N 2.83Å
42Q98.8Very high98.7Very high115 Ų115102.9 Ų102.954%0.53748%0.479SS..Hα-helixtrans-61.9-42.3176.5-72.8174.48.800112.1E38 Q39 I45 K46E38-Q42 VanDerWaalsContact O-CG 3.31Å; E38-Q42 WeakPolarHBondContact O-CG 3.4Å; E38-Q42 PolarHBondContact O-N 3.13Å; Q39-Q42 PolarHBondContact O-N 2.96Å; Q42-I45 PolarHBondContact O-N 3.35Å; Q42-K46 PolarHBondContact O-N 2.86Å
43E98.8Very high98.7Very high94 Ų94104.5 Ų104.544%0.43948%0.483SS..Hα-helixtrans-62.7-43.9176.1-176.559.2-150.300111.3Q39 Y40 I45 K46 Q47Q39-E43 PolarHBondContact O-N 2.86Å; Y40-E43 PolarHBondContact O-N 3.39Å; E43-I45 PolarHBondContact O-N 3.21Å; E43-K46 PolarHBondContact O-N 3.48Å; E43-Q47 WeakPolarHBondContact O-CG 3.34Å; E43-Q47 PolarHBondContact O-N 3.43Å; E43-Q47 PolarHBondContact OE1-NE2 2.87Å
44L98.7Very high98.6Very high77 Ų77104.6 Ų104.640%0.40349%0.485SS..Hα-helixtrans-63.9-40.8177.4-171.865.3000112Y40 T41 K46 Q47 I48Y40-L44 PolarHBondContact O-N 3.16Å; T41-L44 PolarHBondContact O-N 3.3Å; L44-K46 VanDerWaalsContact C-N 3.34Å; L44-Q47 PolarHBondContact O-N 3.45Å; L44-I48 HydrophobicContact CG-CD1 4.27Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.48Å; L44-I48 PolarHBondContact O-N 3.09Å
45I98.7Very high98.6Very high83 Ų83103.3 Ų103.343%0.42648%0.482SS..Hα-helixtrans-59-48.1174.5-72.8164.9000110.1T41 Q42 E43 Q47 I48 E49T41-I45 HydrophobicContact CG2-CD1 3.96Å; T41-I45 VanDerWaalsContact O-CG1 3.27Å; T41-I45 WeakPolarHBondContact O-CG1 3.29Å; T41-I45 PolarHBondContact O-N 2.83Å; Q42-I45 PolarHBondContact O-N 3.35Å; E43-I45 PolarHBondContact O-N 3.21Å; I45-Q47 VanDerWaalsContact C-N 3.33Å; I45-Q47 PolarHBondContact O-N 3.21Å; I45-I48 WeakPolarHBondContact O-CB 3.36Å; I45-I48 PolarHBondContact O-N 2.82Å; I45-I48 VanDerWaalsContact O-N 3.12Å; I45-E49 HydrophobicContact CG2-CG 4.47Å; I45-E49 WeakPolarHBondContact O-CG 3.33Å; I45-E49 PolarHBondContact O-N 2.91Å
46K98.7Very high98.6Very high109 Ų109102.1 Ų102.147%0.47448%0.483SS..Hα-helixtrans-60.2-42.7178.6-174.5-174.4171.3-166.10112Q42 E43 L44 I48 E49 D50Q42-K46 PolarHBondContact O-N 2.86Å; E43-K46 PolarHBondContact O-N 3.48Å; L44-K46 VanDerWaalsContact C-N 3.34Å; K46-I48 VanDerWaalsContact C-N 3.31Å; K46-I48 PolarHBondContact O-N 3.42Å; K46-E49 PolarHBondContact O-N 2.95Å; K46-D50 WeakPolarHBondContact O-CB 3.48Å; K46-D50 PolarHBondContact O-N 3.14Å
47Q98.6Very high98.5Very high91 Ų91101.3 Ų101.343%0.42548%0.483SS..Hα-helixtrans-60.9-40.4175.3-72.91785.600112.2E43 L44 I45 D50 Q51E43-Q47 WeakPolarHBondContact O-CG 3.34Å; E43-Q47 PolarHBondContact O-N 3.43Å; E43-Q47 PolarHBondContact OE1-NE2 2.87Å; L44-Q47 PolarHBondContact O-N 3.45Å; I45-Q47 VanDerWaalsContact C-N 3.33Å; I45-Q47 PolarHBondContact O-N 3.21Å; Q47-D50 PolarHBondContact O-N 2.83Å; Q47-Q51 WeakPolarHBondContact O-CB 3.31Å; Q47-Q51 VanDerWaalsContact O-CG 3.29Å; Q47-Q51 WeakPolarHBondContact O-CG 3.4Å; Q47-Q51 PolarHBondContact O-N 2.81Å
48I98.6Very high98.5Very high75 Ų7599 Ų9939%0.38548%0.479SS..Hα-helixtrans-64.1-44.8176-69.4165.3000110.4L44 I45 K46 Q51 Q52L44-I48 HydrophobicContact CG-CD1 4.27Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.48Å; L44-I48 PolarHBondContact O-N 3.09Å; I45-I48 WeakPolarHBondContact O-CB 3.36Å; I45-I48 PolarHBondContact O-N 2.82Å; I45-I48 VanDerWaalsContact O-N 3.12Å; K46-I48 VanDerWaalsContact C-N 3.31Å; K46-I48 PolarHBondContact O-N 3.42Å; I48-Q51 PolarHBondContact O-N 3.05Å; I48-Q52 HydrophobicContact CG2-CG 4.37Å; I48-Q52 WeakPolarHBondContact O-CB 3.47Å; I48-Q52 VanDerWaalsContact O-CG 3.23Å; I48-Q52 WeakPolarHBondContact O-CG 3.38Å; I48-Q52 PolarHBondContact O-N 3.45Å
49E98.7Very high98.3Very high104 Ų10499.8 Ų99.849%0.48648%0.482SS..Hα-helixtrans-62.7-43.4178-71.1176.4-179.800112.1I45 K46 Q52 R53I45-E49 HydrophobicContact CG2-CG 4.47Å; I45-E49 WeakPolarHBondContact O-CG 3.33Å; I45-E49 PolarHBondContact O-N 2.91Å; K46-E49 PolarHBondContact O-N 2.95Å; E49-Q52 PolarHBondContact O-N 3.16Å; E49-R53 PolarHBondContact O-N 3.23Å
50D98.6Very high98.2Very high75 Ų7597.8 Ų97.840%0.40148%0.479SS..Hα-helixtrans-64.1-42.7177.6-73.8-22.4000111.1K46 Q47 R53 L54K46-D50 WeakPolarHBondContact O-CB 3.48Å; K46-D50 PolarHBondContact O-N 3.14Å; Q47-D50 PolarHBondContact O-N 2.83Å; D50-R53 PolarHBondContact O-N 2.8Å; D50-L54 PolarHBondContact O-N 2.97Å
51Q98.6Very high98Very high123 Ų12397 Ų9758%0.57548%0.481SS*.Hα-helixtrans-64.5-41.9174.5-75.7-179.2-7.800112.2Q47 I48 R53 L54 I55Q47-Q51 WeakPolarHBondContact O-CB 3.31Å; Q47-Q51 VanDerWaalsContact O-CG 3.29Å; Q47-Q51 WeakPolarHBondContact O-CG 3.4Å; Q47-Q51 PolarHBondContact O-N 2.81Å; I48-Q51 PolarHBondContact O-N 3.05Å; Q51-R53 VanDerWaalsContact C-N 3.3Å; Q51-R53 PolarHBondContact O-N 3.27Å; Q51-L54 PolarHBondContact O-N 3.17Å; Q51-I55 VanDerWaalsContact O-CG1 3.29Å; Q51-I55 WeakPolarHBondContact O-CG1 3.42Å; Q51-I55 PolarHBondContact O-N 2.97Å
52Q98.5Very high97.7Very high115 Ų11599.1 Ų99.154%0.53749%0.488SS..Hα-helixtrans-62-39.1176.4-76.9174.30.900111.8I48 E49 S56I48-Q52 HydrophobicContact CG2-CG 4.37Å; I48-Q52 WeakPolarHBondContact O-CB 3.47Å; I48-Q52 VanDerWaalsContact O-CG 3.23Å; I48-Q52 WeakPolarHBondContact O-CG 3.38Å; I48-Q52 PolarHBondContact O-N 3.45Å; E49-Q52 PolarHBondContact O-N 3.16Å; Q52-S56 WeakPolarHBondContact O-CB 3.3Å; Q52-S56 PolarHBondContact O-N 3.19Å; Q52-S56 PolarHBondContact O-OG 3.44Å
53R98.4Very high97.3Very high153 Ų15397.1 Ų97.158%0.57749%0.487SS*.Hα-helixtrans-64-47.2174.9-168.4-178.8-59167.67.6111.2E49 D50 Q51 I55 S56 D57E49-R53 PolarHBondContact O-N 3.23Å; D50-R53 PolarHBondContact O-N 2.8Å; Q51-R53 VanDerWaalsContact C-N 3.3Å; Q51-R53 PolarHBondContact O-N 3.27Å; R53-I55 VanDerWaalsContact C-N 3.34Å; R53-I55 PolarHBondContact O-N 3.35Å; R53-S56 WeakPolarHBondContact O-CB 3.25Å; R53-S56 PolarHBondContact O-N 2.88Å; R53-S56 VanDerWaalsContact O-N 3.15Å; R53-D57 PolarHBondContact O-N 3.09Å
54L98.3Very high96.7Very high102 Ų10295.9 Ų95.953%0.53449%0.493SS..Hα-helixtrans-59.3-44.2177.7179.264000112.1D50 Q51 S56 D57 L58D50-L54 PolarHBondContact O-N 2.97Å; Q51-L54 PolarHBondContact O-N 3.17Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 3.38Å; L54-D57 PolarHBondContact O-N 2.94Å; L54-L58 HydrophobicContact CD1-CD1 4.24Å; L54-L58 HydrophobicContact CD1-CG 4.34Å; L54-L58 HydrophobicContact CG-CD1 4.1Å; L54-L58 WeakPolarHBondContact O-CB 3.37Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.46Å; L54-L58 PolarHBondContact O-N 3.01Å
55I98.1Very high95.7Very high91 Ų9198 Ų9847%0.46751%0.509SS..Hα-helixtrans-60.3-46.2176.3-69.5165.5000110Q51 R53 D57 L58 E59Q51-I55 VanDerWaalsContact O-CG1 3.29Å; Q51-I55 WeakPolarHBondContact O-CG1 3.42Å; Q51-I55 PolarHBondContact O-N 2.97Å; R53-I55 VanDerWaalsContact C-N 3.34Å; R53-I55 PolarHBondContact O-N 3.35Å; I55-D57 PolarHBondContact O-N 2.95Å; I55-L58 PolarHBondContact O-N 3.09Å; I55-E59 HydrophobicContact CG2-CG 4.33Å; I55-E59 WeakPolarHBondContact O-CB 3.26Å; I55-E59 VanDerWaalsContact O-CG 3.3Å; I55-E59 WeakPolarHBondContact O-CG 3.46Å; I55-E59 PolarHBondContact O-N 3.43Å
56S98.1Very high94.4Very high61 Ų61104.6 Ų104.643%0.42753%0.529SS..Hα-helixtrans-60.3-45.9179-56.90000111.6Q52 R53 L54 E59 T60Q52-S56 WeakPolarHBondContact O-CB 3.3Å; Q52-S56 PolarHBondContact O-N 3.19Å; Q52-S56 PolarHBondContact O-OG 3.44Å; R53-S56 WeakPolarHBondContact O-CB 3.25Å; R53-S56 PolarHBondContact O-N 2.88Å; R53-S56 VanDerWaalsContact O-N 3.15Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 3.38Å; S56-E59 WeakPolarHBondContact O-CB 3.31Å; S56-E59 PolarHBondContact O-N 3.47Å; S56-T60 VanDerWaalsContact O-CG2 3.31Å; S56-T60 WeakPolarHBondContact O-CG2 3.48Å; S56-T60 PolarHBondContact O-N 3.46Å
57D97.6Very high92.4Very high87 Ų87106.2 Ų106.247%0.46554%0.538SS..Hα-helixtrans-60.7-48.5178.6-70.1-15.5000110.9R53 L54 I55 E59 T60 E61R53-D57 PolarHBondContact O-N 3.09Å; L54-D57 PolarHBondContact O-N 2.94Å; I55-D57 PolarHBondContact O-N 2.95Å; D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 2.85Å; D57-T60 PolarHBondContact O-N 2.94Å; D57-T60 VanDerWaalsContact O-N 3.1Å; D57-T60 PolarHBondContact O-OG1 2.73Å; D57-E61 PolarHBondContact O-N 2.9Å
58L97.1Very high90.2Very high83 Ų83107 Ų10744%0.43555%0.551SS.*Hα-helixtrans-61.7-38.8176.6-70.6172.1000112.5L54 I55 T60 E61 L62L54-L58 HydrophobicContact CD1-CD1 4.24Å; L54-L58 HydrophobicContact CD1-CG 4.34Å; L54-L58 HydrophobicContact CG-CD1 4.1Å; L54-L58 WeakPolarHBondContact O-CB 3.37Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.46Å; L54-L58 PolarHBondContact O-N 3.01Å; I55-L58 PolarHBondContact O-N 3.09Å; L58-T60 VanDerWaalsContact C-N 3.3Å; L58-T60 PolarHBondContact O-N 2.87Å; L58-E61 PolarHBondContact O-N 3.46Å; L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.08Å; L58-L62 PolarHBondContact O-N 2.95Å
59E96.3Very high87.9Confident116 Ų116109.5 Ų109.554%0.54258%0.575SS.*Hα-helixtrans-62-38.7174.3-77.5179.8172.500111.7I55 S56 D57 S63I55-E59 HydrophobicContact CG2-CG 4.33Å; I55-E59 WeakPolarHBondContact O-CB 3.26Å; I55-E59 VanDerWaalsContact O-CG 3.3Å; I55-E59 WeakPolarHBondContact O-CG 3.46Å; I55-E59 PolarHBondContact O-N 3.43Å; S56-E59 WeakPolarHBondContact O-CB 3.31Å; S56-E59 PolarHBondContact O-N 3.47Å; D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 2.85Å; E59-S63 VanDerWaalsContact O-CB 3.25Å; E59-S63 WeakPolarHBondContact O-CB 3.48Å; E59-S63 PolarHBondContact O-N 2.87Å; E59-S63 PolarHBondContact O-OG 2.88Å
60T95.3Very high85.5Confident88 Ų88107.4 Ų107.454%0.5458%0.581SS.*Hα-helixtrans-67.6-40.8174.571.20000112.2S56 D57 L58 S63 A64S56-T60 VanDerWaalsContact O-CG2 3.31Å; S56-T60 WeakPolarHBondContact O-CG2 3.48Å; S56-T60 PolarHBondContact O-N 3.46Å; D57-T60 PolarHBondContact O-N 2.94Å; D57-T60 VanDerWaalsContact O-N 3.1Å; D57-T60 PolarHBondContact O-OG1 2.73Å; L58-T60 VanDerWaalsContact C-N 3.3Å; L58-T60 PolarHBondContact O-N 2.87Å; T60-S63 PolarHBondContact O-N 3.27Å; T60-A64 WeakPolarHBondContact O-CB 3.31Å; T60-A64 PolarHBondContact O-N 3.46Å
61E94.8Very high83.2Confident124 Ų124112.7 Ų112.758%0.57960%0.604SS**Hα-helixtrans-64.2-43176.5-71.6-169.3160.800112D57 L58 S63 A64 T65D57-E61 PolarHBondContact O-N 2.9Å; L58-E61 PolarHBondContact O-N 3.46Å; E61-S63 VanDerWaalsContact C-N 3.32Å; E61-S63 PolarHBondContact O-N 3.39Å; E61-A64 PolarHBondContact O-N 3.3Å; E61-T65 WeakPolarHBondContact O-CB 3.4Å; E61-T65 PolarHBondContact O-N 2.89Å; E61-T65 PolarHBondContact O-OG1 2.84Å
62L92.6Very high80.8Confident115 Ų115115.2 Ų115.260%0.60262%0.617SS**Hα-helixtrans-64.4-38.5175.1-72.3175.6000111.5L58 R66L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.08Å; L58-L62 PolarHBondContact O-N 2.95Å; L62-R66 WeakPolarHBondContact O-CB 3.29Å; L62-R66 WeakPolarHBondContact O-CG 3.46Å; L62-R66 PolarHBondContact O-N 3.37Å
63S90.3Very high78.1Confident74 Ų74118.8 Ų118.852%0.51763%0.631SS.*Hα-helixtrans-70.5-35.3177.4-61.10000112.4E59 T60 E61E59-S63 VanDerWaalsContact O-CB 3.25Å; E59-S63 WeakPolarHBondContact O-CB 3.48Å; E59-S63 PolarHBondContact O-N 2.87Å; E59-S63 PolarHBondContact O-OG 2.88Å; T60-S63 PolarHBondContact O-N 3.27Å; E61-S63 VanDerWaalsContact C-N 3.32Å; E61-S63 PolarHBondContact O-N 3.39Å
64A85.4Confident75.5Confident68 Ų68117.2 Ų117.256%0.56264%0.642SS**Hα-helixtrans-69.4-42.1173.400000111.8T60 E61 R66 Q67T60-A64 WeakPolarHBondContact O-CB 3.31Å; T60-A64 PolarHBondContact O-N 3.46Å; E61-A64 PolarHBondContact O-N 3.3Å; A64-R66 VanDerWaalsContact C-N 3.3Å; A64-R66 PolarHBondContact O-N 3.27Å; A64-Q67 WeakPolarHBondContact O-CB 3.43Å; A64-Q67 PolarHBondContact O-N 3.49Å
65T78.3Confident72.8Confident120 Ų120120.2 Ų120.274%0.73665%0.654SS**Hα-helixtrans-69.4-27.5177.5-54.40000112.4E61 Q67E61-T65 WeakPolarHBondContact O-CB 3.4Å; E61-T65 PolarHBondContact O-N 2.89Å; E61-T65 PolarHBondContact O-OG1 2.84Å; T65-Q67 VanDerWaalsContact C-N 3.27Å; T65-Q67 PolarHBondContact O-N 2.98Å
66R70.9Confident70.2Confident222 Ų222121.2 Ų121.284%0.83867%0.666SS**THydrogen-bonded Turntrans-75.8-5.8173.6-88.8-174.9175.3-166.11114.5L62 A64L62-R66 WeakPolarHBondContact O-CB 3.29Å; L62-R66 WeakPolarHBondContact O-CG 3.46Å; L62-R66 PolarHBondContact O-N 3.37Å; A64-R66 VanDerWaalsContact C-N 3.3Å; A64-R66 PolarHBondContact O-N 3.27Å
67Q57.7Low67.3Low144 Ų144128.1 Ų128.167%0.67368%0.683SS**SBendtrans-69.1132.6172.6-69.1-63.5-36.500110.1A64 T65 S69A64-Q67 WeakPolarHBondContact O-CB 3.43Å; A64-Q67 PolarHBondContact O-N 3.49Å; T65-Q67 VanDerWaalsContact C-N 3.27Å; T65-Q67 PolarHBondContact O-N 2.98Å; Q67-S69 PolarHBondContact O-N 3.37Å; Q67-S69 VanDerWaalsContact O-N 3.16Å
68P52.3Low64.5Low106 Ų106131.1 Ų131.169%0.68870%0.699SS**  trans-75.8109.2-161.429.7-34.7000111.8G70P68-G70 PolarHBondContact O-N 3.5Å
69S50.2Low62Low129 Ų129133.1 Ų133.190%0.90271%0.706SS**SBendtrans-71.7102.1155.5-176.80000108.6Q67Q67-S69 PolarHBondContact O-N 3.37Å; Q67-S69 VanDerWaalsContact O-N 3.16Å
70G49Very low59.3Low59 Ų59134.7 Ų134.761%0.60872%0.717SS**SBendtrans88.1128.7162.700000115.8P68 M72P68-G70 PolarHBondContact O-N 3.5Å; G70-M72 PolarHBondContact O-N 3.32Å; G70-M72 VanDerWaalsContact O-N 3.13Å
71E50.1Low56.8Low187 Ų187139.1 Ų139.187%0.87474%0.736SS**  trans-44.8113.6172.8-70.3173.2119.200113.1
72M47Very low53.8Low175 Ų175141.9 Ų141.986%0.86275%0.746SS**  trans-128104.7143.9-67.9-166.1-178.200107.2G70 C74G70-M72 PolarHBondContact O-N 3.32Å; G70-M72 VanDerWaalsContact O-N 3.13Å; M72-C74 VanDerWaalsContact C-N 3.3Å; M72-C74 PolarHBondContact O-N 2.76Å
73K43.3Very low51.2Low191 Ų191141.1 Ų141.183%0.8376%0.756SS**  trans-55.393.8169.5-78.8-177174.8178.60109.1E75K73-E75 PolarHBondContact O-N 3.07Å
74C43.8Very low48.4Very low119 Ų119142 Ų14280%0.80477%0.769SS**  trans-84.392.8158.4-74.30000107M72M72-C74 VanDerWaalsContact C-N 3.3Å; M72-C74 PolarHBondContact O-N 2.76Å
75E41.2Very low46.1Very low166 Ų166143.5 Ų143.578%0.77678%0.781SS**  trans-63.6126.5174.7-167.6156.2159.700110K73 R77K73-E75 PolarHBondContact O-N 3.07Å; E75-R77 PolarHBondContact O-N 3.12Å
76P43.2Very low44.2Very low111 Ų111143.3 Ų143.372%0.72178%0.784SS**  trans-69.694.2-179.5-19.132.1000111.1N78P76-N78 PolarHBondContact O-N 3.05Å
77R36.1Very low42.9Very low207 Ų207138.1 Ų138.178%0.78178%0.782SS**  trans-79.185.8174.1-124.7178.3178-160.5-10.2110.1E75 H79E75-R77 PolarHBondContact O-N 3.12Å; R77-H79 VanDerWaalsContact C-N 3.28Å; R77-H79 VanDerWaalsContact CD-CD2 3.48Å; R77-H79 WeakPolarHBondContact CD-CD2 3.43Å; R77-H79 WeakPolarHBondContact CD-NE2 3.49Å; R77-H79 VanDerWaalsContact CG-NE2 3.33Å; R77-H79 WeakPolarHBondContact CG-NE2 3.31Å; R77-H79 PolarHBondContact NE-NE2 3.42Å; R77-H79 PolarHBondContact O-N 3.31Å
78N40.6Very low42Very low150 Ų150143.2 Ų143.280%0.80280%0.795SS**  trans-66.789.3157.7-76-65.4000108.7P76 L80P76-N78 PolarHBondContact O-N 3.05Å; N78-L80 PolarHBondContact O-N 3.11Å
79H43Very low41.6Very low125 Ų125147.6 Ų147.658%0.57980%0.803SS**  trans-92.392.3162.8-79.1-52.1000109.8R77 L81R77-H79 VanDerWaalsContact C-N 3.28Å; R77-H79 VanDerWaalsContact CD-CD2 3.48Å; R77-H79 WeakPolarHBondContact CD-CD2 3.43Å; R77-H79 WeakPolarHBondContact CD-NE2 3.49Å; R77-H79 VanDerWaalsContact CG-NE2 3.33Å; R77-H79 WeakPolarHBondContact CG-NE2 3.31Å; R77-H79 PolarHBondContact NE-NE2 3.42Å; R77-H79 PolarHBondContact O-N 3.31Å; H79-L81 PolarHBondContact O-N 3.27Å
80L40.6Very low41.2Very low149 Ų149147.9 Ų147.978%0.7880%0.8SS**  trans-48.8103156.9-173.8136.7000108.7N78 K82N78-L80 PolarHBondContact O-N 3.11Å; L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 HydrophobicContact CD2-CB 3.89Å; L80-K82 PolarHBondContact O-N 2.95Å
81L42.8Very low40.6Very low180 Ų180153.1 Ų153.194%0.94281%0.808SS**  trans-68.193.8170.2-78.3166.5000108.5H79H79-L81 PolarHBondContact O-N 3.27Å
82K31.4Very low39.7Very low183 Ų183154.9 Ų154.980%0.79681%0.808SS**  trans-105121.7158.3-166.8163.3-176.9170.30108.4L80L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 HydrophobicContact CD2-CB 3.89Å; L80-K82 PolarHBondContact O-N 2.95Å
83A37.3Very low38.9Very low98 Ų98157 Ų15781%0.8181%0.807SS**  trans-54.9135.2-179.900000112.8
84A32.5Very low38.7Very low94 Ų94151 Ų15178%0.77780%0.799SS**  171131.5127.800000111
85A37.4Very low38.5Very low99 Ų99152.2 Ų152.282%0.81880%0.797SS**  trans45.3114.5146.300000119.6
86S37.2Very low38.5Very low115 Ų115151.2 Ų151.280%0.80480%0.802SS**  152.4112109.9-162.10000109.6
87S44.5Very low38.2Very low113 Ų113150.8 Ų150.879%0.7981%0.809SS**  trans-55.2130.3173.435.20000112.4
88R39.3Very low38.3Very low252 Ų252147.1 Ų147.195%0.95181%0.809SS**  trans-149.8146.3146-99.9-171.3-79.7-166-0.8111.5
89K43.9Very low38.2Very low198 Ų198146.9 Ų146.986%0.86181%0.813SS**  trans-102.9128-162.2172.7-178.5-176175.70109.9
90T40.5Very low38Very low135 Ų135145.5 Ų145.583%0.82882%0.823SS**  trans-16197.6160.7-210000107.3
91Q36.2Very low37.7Very low169 Ų169142 Ų14279%0.7982%0.823SS**  60.6103.182.9-158.31671100115.9
92Y31.3Very low37.5Very low223 Ų223138 Ų13888%0.87582%0.816SS**  trans41.9127.4149-89.2-96.5000121.9
93R31.1Very low37.9Very low220 Ų220134.7 Ų134.783%0.8382%0.816SS**  -163.3108.2123.1-174171.2-88.9-103.65.2110.7
94G39.2Very low38.6Very low64 Ų64137.6 Ų137.666%0.6682%0.818SS**  trans-81.8144.9163.900000110.3
95N38.4Very low39.3Very low145 Ų145140.5 Ų140.578%0.77582%0.82SS**  trans-130.5116164-84.1-16.7000108.1
96V43.3Very low39.7Very low145 Ų145141.8 Ų141.888%0.87982%0.817SS**  trans-83.9137.7164.7-84.60000108.7
97A34.9Very low40.2Very low103 Ų103141.8 Ų141.885%0.85181%0.812SS**  trans-135.3109.3161.500000108.4
98T38.4Very low40.8Very low129 Ų129141.4 Ų141.479%0.79180%0.801SS**  trans-76.3124.6177.4-53.90000110.2
99V39.2Very low41.8Very low145 Ų145133.1 Ų133.188%0.87978%0.782SS**  trans-127.9119.7150169.30000106.9
100A38.1Very low42.7Very low96 Ų96128.4 Ų128.479%0.79377%0.774SS**  trans-82129178.600000110.4
101G34.5Very low44.2Very low76 Ų76124.4 Ų124.478%0.78475%0.752SS**  trans-164.69616700000107.1S103G101-S103 PolarHBondContact O-N 3.35Å
102A38.1Very low46.4Very low95 Ų95121 Ų12179%0.78574%0.739SS**  trans-70122.4-169.200000112.6
103S41Very low49.1Very low115 Ų115117.4 Ų117.480%0.80473%0.725SS**  trans-142.1109.9141.5-76.20000106.5G101 L105G101-S103 PolarHBondContact O-N 3.35Å; S103-L105 PolarHBondContact O-N 3.32Å; S103-L105 VanDerWaalsContact O-N 3.09Å
104N51.2Low52Low159 Ų159112.7 Ų112.785%0.8571%0.712SS**  trans-66.3104.3178.7-65.7-50.2000109.9
105L47Very low54.6Low155 Ų155114.1 Ų114.181%0.81271%0.705SS**  trans-134.597.2152.7-95.1146000105.4S103 V107S103-L105 PolarHBondContact O-N 3.32Å; S103-L105 VanDerWaalsContact O-N 3.09Å; L105-V107 VanDerWaalsContact C-N 3.29Å; L105-V107 PolarHBondContact O-N 2.87Å
106T45.7Very low57.2Low125 Ų125112.4 Ų112.477%0.76769%0.693SS**  trans-56.398.4168.7-50.20000107.1N108T106-N108 VanDerWaalsContact C-N 3.34Å; T106-N108 PolarHBondContact O-N 3.32Å
107V49.6Very low59.6Low115 Ų115109 Ų10970%0.69767%0.67SS**  trans-67.697.2174.9173.60000106.7L105 S109L105-V107 VanDerWaalsContact C-N 3.29Å; L105-V107 PolarHBondContact O-N 2.87Å; V107-S109 PolarHBondContact O-N 3.44Å
108N56.4Low62.5Low105 Ų105106.5 Ų106.556%0.56165%0.649SS**  trans-75.448.8172.7-112.531.6000110.2T106 S110 S111 D112T106-N108 VanDerWaalsContact C-N 3.34Å; T106-N108 PolarHBondContact O-N 3.32Å; N108-S110 PolarHBondContact O-N 3.29Å; N108-S111 PolarHBondContact O-N 3Å; N108-D112 PolarHBondContact O-N 3.36Å
109S60.3Low65.2Low78 Ų78102.8 Ų102.855%0.54563%0.631SS.*Hα-helixtrans-60.2-19.1-174.851.30000114.3V107V107-S109 PolarHBondContact O-N 3.44Å
110S62.4Low68Low100 Ų100101.7 Ų101.770%0.69962%0.615SS**Hα-helixtrans-77.1-29.3174.9-172.40000113.3N108 Q114N108-S110 PolarHBondContact O-N 3.29Å; S110-Q114 PolarHBondContact O-N 2.93Å
111S72.3Confident70.8Confident51 Ų51103.6 Ų103.636%0.35761%0.607SS.*Hα-helixtrans-75.7-45.6177.9-164.20000109.9N108 Y113 Q114 D115N108-S111 PolarHBondContact O-N 3Å; S111-Y113 VanDerWaalsContact C-N 3.31Å; S111-Y113 PolarHBondContact O-N 3.49Å; S111-Q114 WeakPolarHBondContact O-CB 3.3Å; S111-Q114 PolarHBondContact O-N 3.15Å; S111-Q114 VanDerWaalsContact O-N 3.07Å; S111-D115 PolarHBondContact O-N 3.46Å
112D81.7Confident73.7Confident98 Ų98102.8 Ų102.852%0.52459%0.594SS.*Hα-helixtrans-63.1-36.5-176.8-57.8-24.5000112.5N108 M116N108-D112 PolarHBondContact O-N 3.36Å; D112-M116 WeakPolarHBondContact O-CB 3.29Å; D112-M116 PolarHBondContact O-N 2.79Å
113Y88.9Confident76.5Confident147 Ų147102.4 Ų102.458%0.57658%0.577SS**Hα-helixtrans-68.9-39.2175.1-172-102.7000112S111 M116 L117S111-Y113 VanDerWaalsContact C-N 3.31Å; S111-Y113 PolarHBondContact O-N 3.49Å; Y113-M116 PolarHBondContact O-N 3.41Å; Y113-L117 HydrophobicContact CD1-CD1 3.82Å; Y113-L117 HydrophobicContact CD1-CG 4.26Å; Y113-L117 HydrophobicContact CE1-CD1 3.47Å; Y113-L117 VanDerWaalsContact CE1-CD1 3.47Å; Y113-L117 HydrophobicContact CE1-CD2 4.44Å; Y113-L117 HydrophobicContact CE1-CG 3.99Å; Y113-L117 WeakPolarHBondContact O-CG 3.23Å; Y113-L117 PolarHBondContact O-N 2.99Å
114Q92Very high79.2Confident121 Ų121102 Ų10257%0.56556%0.562SS**Hα-helixtrans-66.6-40.2176.8-169.963.625.800111.3S110 S111 L117 A118S110-Q114 PolarHBondContact O-N 2.93Å; S111-Q114 WeakPolarHBondContact O-CB 3.3Å; S111-Q114 PolarHBondContact O-N 3.15Å; S111-Q114 VanDerWaalsContact O-N 3.07Å; Q114-L117 PolarHBondContact O-N 3.1Å; Q114-A118 WeakPolarHBondContact O-CB 3.4Å; Q114-A118 PolarHBondContact O-N 2.96Å
115D92.6Very high81.4Confident94 Ų9495.9 Ų95.950%0.50354%0.537SS..Hα-helixtrans-66.4-39.4175.5-68.8-30.6000111.4S111 A118 A119S111-D115 PolarHBondContact O-N 3.46Å; D115-A118 PolarHBondContact O-N 3.38Å; D115-A119 WeakPolarHBondContact O-CB 3.45Å; D115-A119 PolarHBondContact O-N 3Å
116M94Very high83.8Confident108 Ų10894.6 Ų94.653%0.53253%0.525SS..Hα-helixtrans-60.9-45.8171.7-110.4-164-71.100112D112 Y113 A118 A119 F120D112-M116 WeakPolarHBondContact O-CB 3.29Å; D112-M116 PolarHBondContact O-N 2.79Å; Y113-M116 PolarHBondContact O-N 3.41Å; M116-A118 VanDerWaalsContact C-N 3.34Å; M116-A118 PolarHBondContact O-N 2.89Å; M116-A119 WeakPolarHBondContact O-CB 3.27Å; M116-A119 PolarHBondContact O-N 3.01Å; M116-F120 WeakPolarHBondContact O-CD2 3.45Å; M116-F120 PolarHBondContact O-N 2.68Å
117L94.1Very high86.3Confident75 Ų7594.5 Ų94.539%0.39351%0.514SS..Hα-helixtrans-62.1-42.6177.2-73.4178000111.7Y113 Q114 A119 F120 E121Y113-L117 HydrophobicContact CD1-CD1 3.82Å; Y113-L117 HydrophobicContact CD1-CG 4.26Å; Y113-L117 HydrophobicContact CE1-CD1 3.47Å; Y113-L117 VanDerWaalsContact CE1-CD1 3.47Å; Y113-L117 HydrophobicContact CE1-CD2 4.44Å; Y113-L117 HydrophobicContact CE1-CG 3.99Å; Y113-L117 WeakPolarHBondContact O-CG 3.23Å; Y113-L117 PolarHBondContact O-N 2.99Å; Q114-L117 PolarHBondContact O-N 3.1Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.23Å; L117-F120 PolarHBondContact O-N 3.19Å; L117-E121 PolarHBondContact O-N 3.27Å
118A94.2Very high88.6Confident50 Ų5095.2 Ų95.241%0.41351%0.505SS..Hα-helixtrans-62.7-39.8175.100000111.8Q114 D115 M116 E121 A122Q114-A118 WeakPolarHBondContact O-CB 3.4Å; Q114-A118 PolarHBondContact O-N 2.96Å; D115-A118 PolarHBondContact O-N 3.38Å; M116-A118 VanDerWaalsContact C-N 3.34Å; M116-A118 PolarHBondContact O-N 2.89Å; A118-E121 PolarHBondContact O-N 2.86Å; A118-A122 WeakPolarHBondContact O-CB 3.39Å; A118-A122 PolarHBondContact O-N 3.12Å
119A95.8Very high90.5Very high50 Ų5095.2 Ų95.241%0.41350%0.501SS..Hα-helixtrans-63.5-42.8174.800000111.8D115 M116 L117 E121 A122 I123D115-A119 WeakPolarHBondContact O-CB 3.45Å; D115-A119 PolarHBondContact O-N 3Å; M116-A119 WeakPolarHBondContact O-CB 3.27Å; M116-A119 PolarHBondContact O-N 3.01Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.23Å; A119-E121 VanDerWaalsContact C-N 3.35Å; A119-E121 PolarHBondContact O-N 3.01Å; A119-A122 PolarHBondContact O-N 3.33Å; A119-I123 WeakPolarHBondContact O-CB 3.21Å; A119-I123 VanDerWaalsContact O-CG1 3.25Å; A119-I123 WeakPolarHBondContact O-CG1 3.44Å; A119-I123 PolarHBondContact O-N 2.93Å
120F97.4Very high92.3Very high123 Ų12395.9 Ų95.954%0.53950%0.497SS..Hα-helixtrans-62-41.9174.6-81.5-64.4000112.2M116 L117 I123 Q124M116-F120 WeakPolarHBondContact O-CD2 3.45Å; M116-F120 PolarHBondContact O-N 2.68Å; L117-F120 PolarHBondContact O-N 3.19Å; F120-I123 PolarHBondContact O-N 3.24Å; F120-Q124 WeakPolarHBondContact O-CG 3.33Å; F120-Q124 PolarHBondContact O-N 3.34Å
121E96.9Very high94Very high135 Ų13597.2 Ų97.263%0.63149%0.493SS*.Hα-helixtrans-64-41.3176.2-172.8169.1-165.800111.7L117 A118 A119 Q124 G125L117-E121 PolarHBondContact O-N 3.27Å; A118-E121 PolarHBondContact O-N 2.86Å; A119-E121 VanDerWaalsContact C-N 3.35Å; A119-E121 PolarHBondContact O-N 3.01Å; E121-Q124 PolarHBondContact O-N 3.03Å; E121-G125 PolarHBondContact O-N 3.42Å
122A96.2Very high95.2Very high60 Ų6098.1 Ų98.150%0.49650%0.496SS..Hα-helixtrans-61.9-44.7174.800000111.9A118 A119 G125 K126A118-A122 WeakPolarHBondContact O-CB 3.39Å; A118-A122 PolarHBondContact O-N 3.12Å; A119-A122 PolarHBondContact O-N 3.33Å; A122-G125 PolarHBondContact O-N 3.36Å; A122-K126 WeakPolarHBondContact O-CG 3.24Å; A122-K126 PolarHBondContact O-N 3Å
123I97.6Very high95.9Very high86 Ų8697.7 Ų97.744%0.44149%0.493SS..Hα-helixtrans-61.1-46.9176.2-70.7166.2000110.4A119 F120 G125 K126 F127A119-I123 WeakPolarHBondContact O-CB 3.21Å; A119-I123 VanDerWaalsContact O-CG1 3.25Å; A119-I123 WeakPolarHBondContact O-CG1 3.44Å; A119-I123 PolarHBondContact O-N 2.93Å; F120-I123 PolarHBondContact O-N 3.24Å; I123-G125 VanDerWaalsContact C-N 3.29Å; I123-G125 PolarHBondContact O-N 2.94Å; I123-K126 PolarHBondContact O-N 3.43Å; I123-K126 VanDerWaalsContact O-N 3.16Å; I123-F127 HydrophobicContact CG2-CD2 3.7Å; I123-F127 HydrophobicContact CG2-CE2 3.42Å; I123-F127 VanDerWaalsContact CG2-CE2 3.42Å; I123-F127 VanDerWaalsContact O-CD2 3.24Å; I123-F127 WeakPolarHBondContact O-CD2 3.44Å; I123-F127 PolarHBondContact O-N 2.94Å
124Q96.8Very high96.3Very high106 Ų10694.2 Ų94.250%0.49549%0.487SS..Hα-helixtrans-60.4-39.4175.8-73.6-176.39.300112.2F120 E121 K126 F127 R128F120-Q124 WeakPolarHBondContact O-CG 3.33Å; F120-Q124 PolarHBondContact O-N 3.34Å; E121-Q124 PolarHBondContact O-N 3.03Å; Q124-K126 PolarHBondContact O-N 3.12Å; Q124-F127 PolarHBondContact O-N 3.49Å; Q124-R128 PolarHBondContact O-N 3.36Å
125G97.1Very high96.5Very high31 Ų3192.5 Ų92.532%0.3249%0.486SS..Hα-helixtrans-58.9-44.5173.800000112.5E121 A122 I123 R128 Q129E121-G125 PolarHBondContact O-N 3.42Å; A122-G125 PolarHBondContact O-N 3.36Å; I123-G125 VanDerWaalsContact C-N 3.29Å; I123-G125 PolarHBondContact O-N 2.94Å; G125-R128 PolarHBondContact O-N 3.38Å; G125-Q129 PolarHBondContact O-N 3.35Å
126K97.8Very high96.6Very high129 Ų12994 Ų9456%0.56149%0.487SS*.Hα-helixtrans-64.6-41176.5-68.1-68.1-177.2177.30112.4A122 I123 Q124 R128 Q129 I130A122-K126 WeakPolarHBondContact O-CG 3.24Å; A122-K126 PolarHBondContact O-N 3Å; I123-K126 PolarHBondContact O-N 3.43Å; I123-K126 VanDerWaalsContact O-N 3.16Å; Q124-K126 PolarHBondContact O-N 3.12Å; K126-R128 VanDerWaalsContact C-N 3.34Å; K126-R128 PolarHBondContact O-N 3.05Å; K126-Q129 WeakPolarHBondContact O-CB 3.39Å; K126-Q129 PolarHBondContact O-N 2.7Å; K126-Q129 VanDerWaalsContact O-N 3.16Å; K126-I130 WeakPolarHBondContact O-CG1 3.27Å; K126-I130 PolarHBondContact O-N 3.26Å
127F98.2Very high96.7Very high123 Ų12394.7 Ų94.754%0.53949%0.489SS..Hα-helixtrans-61.6-41.2174.9-80.1-64.8000112.4I123 Q124 Q129 I130 Q131I123-F127 HydrophobicContact CG2-CD2 3.7Å; I123-F127 HydrophobicContact CG2-CE2 3.42Å; I123-F127 VanDerWaalsContact CG2-CE2 3.42Å; I123-F127 VanDerWaalsContact O-CD2 3.24Å; I123-F127 WeakPolarHBondContact O-CD2 3.44Å; I123-F127 PolarHBondContact O-N 2.94Å; Q124-F127 PolarHBondContact O-N 3.49Å; F127-Q129 VanDerWaalsContact C-N 3.32Å; F127-Q129 PolarHBondContact O-N 2.91Å; F127-I130 PolarHBondContact O-N 2.89Å; F127-Q131 WeakPolarHBondContact O-CG 3.41Å; F127-Q131 PolarHBondContact O-N 3.11Å
128R97.7Very high96.7Very high130 Ų13098.3 Ų98.349%0.49150%0.502SS..Hα-helixtrans-62.1-39.5173.5-72.5-170.1-78-95.44.8112.1Q124 G125 K126 Q131 T132Q124-R128 PolarHBondContact O-N 3.36Å; G125-R128 PolarHBondContact O-N 3.38Å; K126-R128 VanDerWaalsContact C-N 3.34Å; K126-R128 PolarHBondContact O-N 3.05Å; R128-Q131 PolarHBondContact O-N 3.13Å; R128-T132 WeakPolarHBondContact O-CB 3.34Å; R128-T132 PolarHBondContact O-N 3.06Å; R128-T132 PolarHBondContact O-OG1 2.92Å
129Q97.4Very high96.8Very high105 Ų105101.7 Ų101.749%0.49151%0.509SS..Hα-helixtrans-63.1-47.6175.2-171.9177.82200111.4G125 K126 F127 Q131 T132 L133G125-Q129 PolarHBondContact O-N 3.35Å; K126-Q129 WeakPolarHBondContact O-CB 3.39Å; K126-Q129 PolarHBondContact O-N 2.7Å; K126-Q129 VanDerWaalsContact O-N 3.16Å; F127-Q129 VanDerWaalsContact C-N 3.32Å; F127-Q129 PolarHBondContact O-N 2.91Å; Q129-Q131 PolarHBondContact O-N 3.34Å; Q129-T132 WeakPolarHBondContact O-CB 3.4Å; Q129-T132 PolarHBondContact O-N 3.37Å; Q129-L133 HydrophobicContact CG-CD1 4.28Å; Q129-L133 WeakPolarHBondContact O-CG 3.44Å; Q129-L133 PolarHBondContact O-N 3.35Å
130I97.9Very high96.6Very high91 Ų91104.4 Ų104.447%0.46751%0.513SS..Hα-helixtrans-58.6-49.3176.8-67.5165.8000109.9K126 F127 T132 L133 T134K126-I130 WeakPolarHBondContact O-CG1 3.27Å; K126-I130 PolarHBondContact O-N 3.26Å; F127-I130 PolarHBondContact O-N 2.89Å; I130-T132 VanDerWaalsContact C-N 3.27Å; I130-T132 PolarHBondContact O-N 3.48Å; I130-L133 PolarHBondContact O-N 3.47Å; I130-T134 PolarHBondContact O-N 3.04Å; I130-T134 PolarHBondContact O-OG1 3.41Å
131Q97.3Very high96.3Very high128 Ų128103.2 Ų103.260%0.59851%0.512SS*.Hα-helixtrans-56.1-41.6176.8-74176.9-2.500112.3F127 R128 Q129 T135F127-Q131 WeakPolarHBondContact O-CG 3.41Å; F127-Q131 PolarHBondContact O-N 3.11Å; R128-Q131 PolarHBondContact O-N 3.13Å; Q129-Q131 PolarHBondContact O-N 3.34Å; Q131-T135 WeakPolarHBondContact O-CB 3.37Å; Q131-T135 VanDerWaalsContact O-CG2 3.23Å; Q131-T135 WeakPolarHBondContact O-CG2 3.34Å; Q131-T135 PolarHBondContact O-N 2.93Å; Q131-T135 PolarHBondContact O-OG1 3.45Å
132T97.4Very high95.8Very high70 Ų70104.4 Ų104.443%0.42952%0.515SS..Hα-helixtrans-65.7-39.3176.9-55.90000111.8R128 Q129 I130 T135 K136R128-T132 WeakPolarHBondContact O-CB 3.34Å; R128-T132 PolarHBondContact O-N 3.06Å; R128-T132 PolarHBondContact O-OG1 2.92Å; Q129-T132 WeakPolarHBondContact O-CB 3.4Å; Q129-T132 PolarHBondContact O-N 3.37Å; I130-T132 VanDerWaalsContact C-N 3.27Å; I130-T132 PolarHBondContact O-N 3.48Å; T132-T135 WeakPolarHBondContact CA-OG1 3.44Å; T132-T135 PolarHBondContact O-OG1 2.96Å; T132-K136 VanDerWaalsContact O-CG 3.31Å; T132-K136 WeakPolarHBondContact O-CG 3.45Å; T132-K136 PolarHBondContact O-N 3.23Å; T132-K136 VanDerWaalsContact O-N 3.14Å
133L97.5Very high95.4Very high89 Ų89110.4 Ų110.447%0.46653%0.525SS..Hα-helixtrans-69.4-45.7176.8-69.4173.1000111.5Q129 I130 T135 K136 Q137Q129-L133 HydrophobicContact CG-CD1 4.28Å; Q129-L133 WeakPolarHBondContact O-CG 3.44Å; Q129-L133 PolarHBondContact O-N 3.35Å; I130-L133 PolarHBondContact O-N 3.47Å; L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 3.32Å; L133-K136 PolarHBondContact O-N 2.97Å; L133-Q137 WeakPolarHBondContact O-CB 3.33Å; L133-Q137 WeakPolarHBondContact O-CG 3.31Å; L133-Q137 PolarHBondContact O-N 3.4Å
134T96.2Very high94.4Very high74 Ų74113.2 Ų113.245%0.45453%0.534SS..Hα-helixtrans-63.7-38179-50.10000111.5I130 Q137 K138I130-T134 PolarHBondContact O-N 3.04Å; I130-T134 PolarHBondContact O-OG1 3.41Å; T134-Q137 PolarHBondContact O-N 3Å; T134-K138 VanDerWaalsContact O-CB 3.26Å; T134-K138 WeakPolarHBondContact O-CB 3.49Å; T134-K138 PolarHBondContact O-N 2.88Å
135T95.8Very high93.3Very high86 Ų86114.7 Ų114.753%0.52854%0.54SS..Hα-helixtrans-66.3-40.9174.7490000112Q131 T132 L133 K138 H139Q131-T135 WeakPolarHBondContact O-CB 3.37Å; Q131-T135 VanDerWaalsContact O-CG2 3.23Å; Q131-T135 WeakPolarHBondContact O-CG2 3.34Å; Q131-T135 PolarHBondContact O-N 2.93Å; Q131-T135 PolarHBondContact O-OG1 3.45Å; T132-T135 WeakPolarHBondContact CA-OG1 3.44Å; T132-T135 PolarHBondContact O-OG1 2.96Å; L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 3.32Å; T135-K138 PolarHBondContact O-N 2.93Å; T135-H139 WeakPolarHBondContact O-CB 3.45Å; T135-H139 PolarHBondContact O-N 3.36Å
136K95.6Very high91.5Very high124 Ų124115.6 Ų115.654%0.53955%0.55SS.*Hα-helixtrans-62.7-47.9172.1-73.9176.6-179.2-177.60112T132 L133 K138 H139 H140T132-K136 VanDerWaalsContact O-CG 3.31Å; T132-K136 WeakPolarHBondContact O-CG 3.45Å; T132-K136 PolarHBondContact O-N 3.23Å; T132-K136 VanDerWaalsContact O-N 3.14Å; L133-K136 PolarHBondContact O-N 2.97Å; K136-K138 VanDerWaalsContact C-N 3.34Å; K136-K138 PolarHBondContact O-N 2.91Å; K136-H139 WeakPolarHBondContact O-CB 3.37Å; K136-H139 PolarHBondContact O-N 2.91Å; K136-H139 VanDerWaalsContact O-N 3.09Å; K136-H140 PolarHBondContact O-CD2 2.95Å; K136-H140 PolarHBondContact O-N 3.32Å
137Q95.4Very high89.5Confident123 Ų123112.8 Ų112.858%0.57555%0.547SS*.Hα-helixtrans-58.1-46176.5-75.1175.8-21.500111.3L133 T134 H139 H140 L141L133-Q137 WeakPolarHBondContact O-CB 3.33Å; L133-Q137 WeakPolarHBondContact O-CG 3.31Å; L133-Q137 PolarHBondContact O-N 3.4Å; T134-Q137 PolarHBondContact O-N 3Å; Q137-H139 VanDerWaalsContact C-N 3.3Å; Q137-H139 PolarHBondContact O-N 3.36Å; Q137-H140 PolarHBondContact O-N 3.36Å; Q137-L141 WeakPolarHBondContact O-CG 3.49Å; Q137-L141 PolarHBondContact O-N 3.01Å
138K95.5Very high87.3Confident152 Ų152114.6 Ų114.666%0.66155%0.551SS**Hα-helixtrans-57.8-42.2173.6178.3179.6176.41760112T134 T135 K136 L141 K142T134-K138 VanDerWaalsContact O-CB 3.26Å; T134-K138 WeakPolarHBondContact O-CB 3.49Å; T134-K138 PolarHBondContact O-N 2.88Å; T135-K138 PolarHBondContact O-N 2.93Å; K136-K138 VanDerWaalsContact C-N 3.34Å; K136-K138 PolarHBondContact O-N 2.91Å; K138-L141 PolarHBondContact O-N 3.27Å; K138-K142 WeakPolarHBondContact O-CB 3.46Å; K138-K142 PolarHBondContact O-N 3.46Å
139H94.4Very high85.3Confident121 Ų121115.5 Ų115.556%0.5657%0.566SS**Hα-helixtrans-64.2-43176.5178-94.5000112T135 K136 Q137 K142 R143T135-H139 WeakPolarHBondContact O-CB 3.45Å; T135-H139 PolarHBondContact O-N 3.36Å; K136-H139 WeakPolarHBondContact O-CB 3.37Å; K136-H139 PolarHBondContact O-N 2.91Å; K136-H139 VanDerWaalsContact O-N 3.09Å; Q137-H139 VanDerWaalsContact C-N 3.3Å; Q137-H139 PolarHBondContact O-N 3.36Å; H139-K142 PolarHBondContact O-N 3.48Å; H139-R143 PolarHBondContact O-N 3.45Å
140H91.8Very high83.2Confident106 Ų106117.7 Ų117.749%0.49158%0.581SS.*Hα-helixtrans-61.3-47.5174.2-75.8-70.4000111.9K136 Q137 K142 R143 F144K136-H140 PolarHBondContact O-CD2 2.95Å; K136-H140 PolarHBondContact O-N 3.32Å; Q137-H140 PolarHBondContact O-N 3.36Å; H140-K142 VanDerWaalsContact C-N 3.33Å; H140-K142 PolarHBondContact O-N 3.43Å; H140-R143 WeakPolarHBondContact O-CA 3.41Å; H140-R143 VanDerWaalsContact O-CB 3.31Å; H140-R143 WeakPolarHBondContact O-CB 3.36Å; H140-R143 PolarHBondContact O-N 3.45Å; H140-F144 WeakPolarHBondContact O-CD2 3.32Å; H140-F144 PolarHBondContact O-N 3.3Å
141L90.7Very high81.3Confident99 Ų99117.3 Ų117.352%0.51859%0.586SS.*Hα-helixtrans-59.9-43.5175.8-70.2172.2000111.6Q137 K138 R143 F144 H145Q137-L141 WeakPolarHBondContact O-CG 3.49Å; Q137-L141 PolarHBondContact O-N 3.01Å; K138-L141 PolarHBondContact O-N 3.27Å; L141-R143 PolarHBondContact O-N 2.93Å; L141-F144 PolarHBondContact O-N 2.99Å; L141-F144 VanDerWaalsContact O-N 3.12Å; L141-H145 PolarHBondContact O-CD2 3.42Å; L141-H145 PolarHBondContact O-N 2.99Å
142K88.3Confident79.2Confident159 Ų159114.9 Ų114.969%0.69158%0.577SS**Hα-helixtrans-61.8-32.4174.8-170.4178.8179.3-1760112.1K138 H139 H140 G146K138-K142 WeakPolarHBondContact O-CB 3.46Å; K138-K142 PolarHBondContact O-N 3.46Å; H139-K142 PolarHBondContact O-N 3.48Å; H140-K142 VanDerWaalsContact C-N 3.33Å; H140-K142 PolarHBondContact O-N 3.43Å; K142-G146 VanDerWaalsContact O-CA 3.31Å; K142-G146 WeakPolarHBondContact O-CA 3.32Å; K142-G146 PolarHBondContact O-N 2.75Å
143R86.8Confident77.1Confident186 Ų186119.2 Ų119.270%0.70260%0.598SS**Hα-helixtrans-66.8-40.6173.3-174.4-178.1178.8109-1.2111.9H139 H140 L141 S147H139-R143 PolarHBondContact O-N 3.45Å; H140-R143 WeakPolarHBondContact O-CA 3.41Å; H140-R143 VanDerWaalsContact O-CB 3.31Å; H140-R143 WeakPolarHBondContact O-CB 3.36Å; H140-R143 PolarHBondContact O-N 3.45Å; L141-R143 PolarHBondContact O-N 2.93Å; R143-S147 WeakPolarHBondContact O-CB 3.38Å; R143-S147 PolarHBondContact O-N 3.21Å
144F77.4Confident75.2Confident145 Ų145122.2 Ų122.264%0.63661%0.61SS**Hα-helixtrans-70.1-45.4176.4-70.5-68.9000112.2H140 L141 S147H140-F144 WeakPolarHBondContact O-CD2 3.32Å; H140-F144 PolarHBondContact O-N 3.3Å; L141-F144 PolarHBondContact O-N 2.99Å; L141-F144 VanDerWaalsContact O-N 3.12Å; F144-S147 PolarHBondContact O-N 2.94Å
145H72.3Confident73.6Confident137 Ų137130 Ų13063%0.63463%0.63SS**Hα-helixtrans-75.3-34.1179.9-66.8-63.2000113.1L141 S147 Y148L141-H145 PolarHBondContact O-CD2 3.42Å; L141-H145 PolarHBondContact O-N 2.99Å; H145-S147 PolarHBondContact O-N 3.46Å; H145-Y148 PolarHBondContact O-N 3.34Å
146G59.8Low71.5Confident51 Ų51135.1 Ų135.153%0.52665%0.646SS.*Hα-helixtrans-73.6-12.4176.100000114K142K142-G146 VanDerWaalsContact O-CA 3.31Å; K142-G146 WeakPolarHBondContact O-CA 3.32Å; K142-G146 PolarHBondContact O-N 2.75Å
147S55.9Low69.9Low69 Ų69134.5 Ų134.548%0.48366%0.657SS.*THydrogen-bonded Turntrans-83-19.5171.9-169.80000112.7R143 F144 H145R143-S147 WeakPolarHBondContact O-CB 3.38Å; R143-S147 PolarHBondContact O-N 3.21Å; F144-S147 PolarHBondContact O-N 2.94Å; H145-S147 PolarHBondContact O-N 3.46Å
148Y53.2Low68.7Low161 Ų161136.1 Ų136.163%0.63167%0.666SS**SBendtrans-76.2-22.6-173-127.3-92.7000113.3H145 N152H145-Y148 PolarHBondContact O-N 3.34Å; Y148-N152 WeakPolarHBondContact CD1-ND2 3.41Å; Y148-N152 VanDerWaalsContact CE1-ND2 3.27Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.38Å
149D54.6Low67.1Low150 Ų150134.2 Ų134.280%0.80267%0.67SS**THydrogen-bonded Turntrans-89.4-14.1-174.6-105.3-19.1000114.9
150N53.6Low65.5Low150 Ų150135.9 Ų135.980%0.80268%0.681SS**THydrogen-bonded Turntrans-116.54.7-171.9-73.813.7000115.2
151S57.3Low63.9Low83 Ų83138.9 Ų138.958%0.5870%0.695SS**THydrogen-bonded Turntrans-151.11.2-17967.10000117.6D153S151-D153 VanDerWaalsContact C-N 3.25Å; S151-D153 PolarHBondContact O-N 2.94Å; S151-D153 VanDerWaalsContact O-N 3.11Å
152N53.4Low62Low77 Ų77139.8 Ų139.841%0.41271%0.708SS.*  trans-89.358.2178.6-91.3-35.1000112.7Y148 Q154Y148-N152 WeakPolarHBondContact CD1-ND2 3.41Å; Y148-N152 VanDerWaalsContact CE1-ND2 3.27Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.38Å; N152-Q154 PolarHBondContact O-N 2.88Å
153D53.5Low60.7Low162 Ų162138 Ų13887%0.86671%0.711SS**  trans-82.628.1151.3-112.4-8.8000110.1S151 R155S151-D153 VanDerWaalsContact C-N 3.25Å; S151-D153 PolarHBondContact O-N 2.94Å; S151-D153 VanDerWaalsContact O-N 3.11Å; D153-R155 VanDerWaalsContact C-N 3.3Å; D153-R155 PolarHBondContact O-N 3.43Å
154Q58.4Low59Low152 Ų152136.9 Ų136.971%0.7172%0.719SS**  trans-86.180.2-179-155.11306500108.9N152 F156N152-Q154 PolarHBondContact O-N 2.88Å; Q154-F156 PolarHBondContact O-N 2.84Å
155R62.2Low57.5Low236 Ų236133.3 Ų133.389%0.89172%0.723SS**  trans1.881.3155.6-64.3-167.7-83.3166.8-7.1114.6D153 S157D153-R155 VanDerWaalsContact C-N 3.3Å; D153-R155 PolarHBondContact O-N 3.43Å; R155-S157 VanDerWaalsContact C-N 3.31Å; R155-S157 PolarHBondContact O-N 3.46Å
156F51.6Low56.1Low195 Ų195133.6 Ų133.686%0.85573%0.734SS**  trans-60.6103.6154.7-79.2-82.8000106.2Q154 M158Q154-F156 PolarHBondContact O-N 2.84Å; F156-M158 PolarHBondContact O-N 2.98Å
157S61.4Low55.4Low110 Ų110137.3 Ų137.377%0.76975%0.747SS**  trans-57.2122.4171.344.40000107.8R155R155-S157 VanDerWaalsContact C-N 3.31Å; R155-S157 PolarHBondContact O-N 3.46Å
158M70.8Confident54.9Low157 Ų157142.4 Ų142.477%0.77376%0.763SS**  trans-45.9142.2169.4-101.2-178.647.200110.2F156 I160F156-M158 PolarHBondContact O-N 2.98Å; M158-I160 PolarHBondContact O-N 3.11Å; M158-I160 VanDerWaalsContact O-N 3.15Å
159P62.1Low54.5Low112 Ų112138.7 Ų138.773%0.72777%0.765SS**  trans-56.8123.1171.2-17.629.1000109Q161P159-Q161 PolarHBondContact O-N 3.3Å; P159-Q161 VanDerWaalsContact O-N 3.1Å
160I59.9Low54Low157 Ų157140 Ų14081%0.80577%0.766SS**  trans-71.1108.6174.9-58.6172.6000106.4M158 C162M158-I160 PolarHBondContact O-N 3.11Å; M158-I160 VanDerWaalsContact O-N 3.15Å; I160-C162 PolarHBondContact O-N 2.95Å
161Q59Low53.3Low169 Ų169141.8 Ų141.879%0.7976%0.762SS**  trans-68.1114.6166.3-75.5177.8-34.800107.7P159 T163P159-Q161 PolarHBondContact O-N 3.3Å; P159-Q161 VanDerWaalsContact O-N 3.1Å; Q161-T163 PolarHBondContact O-N 3.48Å; Q161-T163 VanDerWaalsContact O-N 3.09Å
162C50.9Low53Low117 Ų117143.8 Ų143.879%0.79177%0.773SS**  trans-70.4100.9167.6-58.70000107.9I160I160-C162 PolarHBondContact O-N 2.95Å
163T60.2Low52Low123 Ų123148.3 Ų148.376%0.75579%0.789SS**  trans-102.6111.9159450000108.2Q161 G165Q161-T163 PolarHBondContact O-N 3.48Å; Q161-T163 VanDerWaalsContact O-N 3.09Å; T163-G165 PolarHBondContact O-N 3.25Å
164D51.9Low51.6Low162 Ų162146 Ų14687%0.86678%0.784SS**  trans-64.1102.6168.7-64.1-27.8000107.9
165G46.4Very low50.8Low69 Ų69145.3 Ų145.371%0.71179%0.79SS**  trans-89.1110.9-178.900000111.5T163T163-G165 PolarHBondContact O-N 3.25Å
166T41.6Very low49.5Very low143 Ų143139.8 Ų139.888%0.87778%0.784SS**  trans-72.6130.5150.7-7.10000108.5
167V45.5Very low48.7Very low129 Ų129137.9 Ų137.978%0.78278%0.782SS**  trans-59.5128.5177.6-161.40000109.8
168E45.1Very low47.8Very low177 Ų177143.3 Ų143.383%0.82779%0.786SS**  trans-176.3150.9136.9-91.2-43.8114.600110.1
169A45.6Very low45.9Very low82 Ų82144.2 Ų144.268%0.67879%0.793SS**  trans-94.4167.3-147.800000118
170E42.7Very low44.9Very low177 Ų177145 Ų14583%0.82780%0.796SS**  trans54109150.5-75.2-166.1144.800121.4
171R39.2Very low43.8Very low188 Ų188141.9 Ų141.971%0.70979%0.794SS**  158.7130.8106.3-174.3172.3-75.6150.8-0.6111.1F173R171-F173 HydrophobicContact CB-CE2 4.5Å; R171-F173 HydrophobicContact CG-CE2 4.22Å
172P50.5Low43.1Very low125 Ų125141.1 Ų141.181%0.81280%0.795SS**  trans-75.8133.6177.8-11.527.3000112.5
173F33.8Very low42.6Very low172 Ų172141.7 Ų141.775%0.75480%0.795SS**  trans-122.8152.3166.4-76.7-74.3000110.8R171R171-F173 HydrophobicContact CB-CE2 4.5Å; R171-F173 HydrophobicContact CG-CE2 4.22Å
174P44.8Very low41.8Very low115 Ų115142.4 Ų142.475%0.74779%0.793SS**  trans-88.1160.4-149.234.6-35.4000114.8
175T42.5Very low41.3Very low137 Ų137140.8 Ų140.884%0.8479%0.791SS**  trans-66.2138.4174-32.10000112.5
176P34.9Very low40.9Very low119 Ų119141.6 Ų141.677%0.77379%0.791SS**  trans-102.9113.7155.424.2-8.9000111.2
177L34.6Very low40.9Very low155 Ų155140.8 Ų140.881%0.81279%0.788SS**  trans9.2119.1144.4-67.9160.3000119.3
178R41.2Very low40.8Very low225 Ų225143.3 Ų143.385%0.84980%0.796SS**  36.1108.7127.8-60-90.1174.8121.2-2.8116.9
179L32.1Very low40.6Very low175 Ų175139.3 Ų139.392%0.91679%0.794SS**  trans-121.2117.4139.8-113102.8000110.1
180T40.5Very low40.5Very low130 Ų130141.3 Ų141.380%0.79880%0.803SS**  trans-69.6120171.744.40000110.3
181A37.8Very low40.7Very low91 Ų91144.8 Ų144.875%0.75281%0.808SS**  trans-149110.3151.700000108V183A181-V183 PolarHBondContact O-N 3.04Å
182D42.3Very low40.7Very low153 Ų153139.3 Ų139.382%0.81881%0.811SS**  trans-67.3115.6178.7-156.63.7000109.1
183V41.4Very low40.8Very low129 Ų129140.7 Ų140.778%0.78282%0.817SS**  trans-134.695.1169.2-175.60000108.8A181A181-V183 PolarHBondContact O-N 3.04Å
184L43.9Very low41.2Very low138 Ų138136.5 Ų136.572%0.72381%0.809SS**  trans-61.7138.1161.5-90.8130.7000110.3A186L184-A186 PolarHBondContact O-N 2.96Å
185P40.5Very low41.5Very low127 Ų127142.6 Ų142.683%0.82582%0.817SS**  trans-77.7111.5168.529.7-28.9000109.5
186A38.8Very low41.9Very low87 Ų87141.8 Ų141.872%0.71980%0.804SS**  trans-90.5152.4176.700000112.4L184L184-A186 PolarHBondContact O-N 2.96Å
187P41.3Very low42.5Very low125 Ų125141.6 Ų141.681%0.81280%0.797SS**  trans-81.8142.9-163.3-7.426000114.2A189P187-A189 PolarHBondContact O-N 2.82Å
188L43.2Very low43.5Very low182 Ų182145.1 Ų145.195%0.95380%0.799SS**SBendtrans-75.880.3175.1-62.5175.5000111.8
189A41.6Very low44.1Very low94 Ų94140.8 Ų140.878%0.77779%0.793SS**  trans-159.1113.1153.500000110.4P187P187-A189 PolarHBondContact O-N 2.82Å
190S42Very low45.2Very low123 Ų123137.6 Ų137.686%0.8678%0.776SS**  trans-151.8121.6153.8-162.20000111.5
191R48Very low46Very low250 Ų250135.5 Ų135.594%0.94376%0.763SS**  trans-76.8140.9162.1-73.9173.6156.2179.7-6.6108.2
192G39.9Very low46.9Very low74 Ų74137.1 Ų137.176%0.76376%0.759SS**  trans127.5125.5157.200000114.7
193T51.3Low47.6Very low153 Ų153133.1 Ų133.194%0.93974%0.743SS**  trans-58.3128-177.352.50000114
194S42.6Very low48.2Very low85 Ų85132.5 Ų132.559%0.59474%0.735SS**  trans-140.8159.7165.2-172.50000111.7E196S194-E196 VanDerWaalsContact C-OE2 3.31Å; S194-E196 WeakPolarHBondContact CB-OE1 3.38Å; S194-E196 PolarHBondContact O-N 3.15Å; S194-E196 VanDerWaalsContact O-N 3.08Å; S194-E196 PolarHBondContact OG-OE1 3.02Å
195R50.3Low48.9Very low242 Ų242130.2 Ų130.291%0.91373%0.727SS**SBendtrans-85.860.3-155.4-166.9172.791.71707.4112.6
196E50.7Low49.8Very low121 Ų121133.6 Ų133.657%0.56573%0.728SS**  trans-129.723.3176.7-46.281.3-151.300113.7S194 R198S194-E196 VanDerWaalsContact C-OE2 3.31Å; S194-E196 WeakPolarHBondContact CB-OE1 3.38Å; S194-E196 PolarHBondContact O-N 3.15Å; S194-E196 VanDerWaalsContact O-N 3.08Å; S194-E196 PolarHBondContact OG-OE1 3.02Å; E196-R198 PolarHBondContact O-N 3.33Å
197D47.6Very low50.5Low115 Ų115135.2 Ų135.262%0.61572%0.724SS**Hα-helixtrans-81.9-3.5-174.6-16641.1000115
198R55.4Low51.2Low228 Ų228133.2 Ų133.286%0.8671%0.713SS**Hα-helixtrans-86-28.5179.7-63-142.4-147.3-99.46.8114.1E196E196-R198 PolarHBondContact O-N 3.33Å
199D55.3Low52Low135 Ų135129.6 Ų129.672%0.72270%0.698SS**Hα-helixtrans-86.9-17.2179.8-72.5-17.6000113S203D199-S203 PolarHBondContact O-OG 3.29Å; D199-S203 VanDerWaalsContact O-OG 3.07Å
200L54.3Low53.1Low107 Ų107133.6 Ų133.656%0.5670%0.698SS**Hα-helixtrans-76-39.7175.6-74.4168000112.2D202 S203 L204L200-D202 VanDerWaalsContact C-N 3.33Å; L200-D202 PolarHBondContact O-N 2.97Å; L200-S203 PolarHBondContact O-N 3.47Å; L200-L204 WeakPolarHBondContact O-CG 3.43Å; L200-L204 PolarHBondContact O-N 3.49Å
201V57.7Low53.6Low87 Ų87136.2 Ų136.253%0.52769%0.694SS.*Hα-helixtrans-66-37.4-180177.20000111.3S203 L204 T205V201-S203 VanDerWaalsContact C-N 3.32Å; V201-S203 PolarHBondContact O-N 3.47Å; V201-L204 PolarHBondContact O-N 2.94Å; V201-T205 PolarHBondContact O-N 3.41Å; V201-T205 PolarHBondContact O-OG1 3.34Å; V201-T205 VanDerWaalsContact O-OG1 3.09Å
202D56.9Low54.1Low124 Ų124129.7 Ų129.766%0.66368%0.684SS**Hα-helixtrans-69.5-31.7179-148.219.1000112.1L200 T205L200-D202 VanDerWaalsContact C-N 3.33Å; L200-D202 PolarHBondContact O-N 2.97Å; D202-T205 PolarHBondContact O-N 2.89Å; D202-T205 PolarHBondContact O-OG1 3.45Å
203S56.8Low54.8Low70 Ų70130.4 Ų130.449%0.4968%0.676SS.*Hα-helixtrans-70.5-29.8174.1-62.80000113.3D199 L200 V201 K206 L207D199-S203 PolarHBondContact O-OG 3.29Å; D199-S203 VanDerWaalsContact O-OG 3.07Å; L200-S203 PolarHBondContact O-N 3.47Å; V201-S203 VanDerWaalsContact C-N 3.32Å; V201-S203 PolarHBondContact O-N 3.47Å; S203-K206 PolarHBondContact O-N 3.32Å; S203-L207 PolarHBondContact O-N 2.91Å
204L54.3Low55.1Low116 Ų116128.4 Ų128.461%0.60767%0.665SS**Hα-helixtrans-74.7-28.7177.6-70.1173.1000112.6L200 V201 K206 L207L200-L204 WeakPolarHBondContact O-CG 3.43Å; L200-L204 PolarHBondContact O-N 3.49Å; V201-L204 PolarHBondContact O-N 2.94Å; L204-K206 VanDerWaalsContact C-N 3.26Å; L204-K206 PolarHBondContact O-N 3.43Å; L204-L207 HydrophobicContact CD2-CD1 4.46Å; L204-L207 PolarHBondContact O-N 2.96Å
205T59Low55.7Low90 Ų90131 Ų13155%0.55268%0.678SS**Hα-helixtrans-64.5-33172.9-11.30000111.9V201 D202 L207 S208V201-T205 PolarHBondContact O-N 3.41Å; V201-T205 PolarHBondContact O-OG1 3.34Å; V201-T205 VanDerWaalsContact O-OG1 3.09Å; D202-T205 PolarHBondContact O-N 2.89Å; D202-T205 PolarHBondContact O-OG1 3.45Å; T205-L207 VanDerWaalsContact C-N 3.32Å; T205-S208 PolarHBondContact O-OG 3.09Å
206K57.8Low55.9Low197 Ų197127.3 Ų127.386%0.85768%0.676SS**THydrogen-bonded Turntrans-78.7-12.8176.2-151.4176.4-176.5-179.20113.8S203 L204S203-K206 PolarHBondContact O-N 3.32Å; L204-K206 VanDerWaalsContact C-N 3.26Å; L204-K206 PolarHBondContact O-N 3.43Å
207L53.5Low55.8Low122 Ų122125.3 Ų125.364%0.63968%0.675SS**THydrogen-bonded Turntrans-966.9175.2-94.3156.2000113.2S203 L204 T205 V209S203-L207 PolarHBondContact O-N 2.91Å; L204-L207 HydrophobicContact CD2-CD1 4.46Å; L204-L207 PolarHBondContact O-N 2.96Å; T205-L207 VanDerWaalsContact C-N 3.32Å; L207-V209 VanDerWaalsContact C-N 3.27Å; L207-V209 PolarHBondContact O-N 3.06Å
208S56.4Low56.1Low83 Ų83127.7 Ų127.758%0.5868%0.683SS**  trans-7182.8172.861.20000111T205 K210T205-S208 PolarHBondContact O-OG 3.09Å; S208-K210 PolarHBondContact O-N 3.12Å
209V59.8Low55.9Low105 Ų105124.2 Ų124.264%0.63667%0.671SS**  trans-70.398.7168.6-173.90000107.4L207 F211L207-V209 VanDerWaalsContact C-N 3.27Å; L207-V209 PolarHBondContact O-N 3.06Å; V209-F211 HydrophobicContact CB-CE2 4.29Å; V209-F211 HydrophobicContact CG1-CD2 3.95Å; V209-F211 HydrophobicContact CG1-CE2 3.5Å; V209-F211 VanDerWaalsContact CG1-CE2 3.5Å; V209-F211 HydrophobicContact CG1-CZ 4.05Å; V209-F211 PolarHBondContact O-N 2.9Å
210K66.2Low55.9Low179 Ų179123.9 Ų123.978%0.77867%0.669SS**PPolyproline II helixtrans-71.7118.1169.6-119.2125.8173.2178.80108.2S208S208-K210 PolarHBondContact O-N 3.12Å
211F51.8Low55.8Low177 Ų177127.6 Ų127.678%0.77668%0.681SS**SBendtrans-95.5133.6161.7-77.1-87.9000108.1V209V209-F211 HydrophobicContact CB-CE2 4.29Å; V209-F211 HydrophobicContact CG1-CD2 3.95Å; V209-F211 HydrophobicContact CG1-CE2 3.5Å; V209-F211 VanDerWaalsContact CG1-CE2 3.5Å; V209-F211 HydrophobicContact CG1-CZ 4.05Å; V209-F211 PolarHBondContact O-N 2.9Å
212P57.3Low55.6Low113 Ų113130 Ų13073%0.73469%0.69SS**SBendcis-88.2162.35.532.5-25.1000113.2
213P55.5Low55.1Low89 Ų89129.5 Ų129.558%0.57869%0.688SS**PPolyproline II helixtrans-61.3149.2-17723.7-33.2000112.9
214P57.8Low54.6Low112 Ų112131.8 Ų131.873%0.72770%0.704SS**PPolyproline II helixtrans-64.4138.8175.525.7-31.3000111D216P214-D216 PolarHBondContact O-N 3.25Å
215T55.9Low54.3Low140 Ų140130.5 Ų130.586%0.85971%0.71SS**THydrogen-bonded Turntrans-685.9-169.6-20.30000115.5
216D54.1Low53.8Low163 Ų163132.1 Ų132.187%0.87272%0.722SS**THydrogen-bonded Turntrans-104.515.2-170.1-66.3-17.9000113.9P214P214-D216 PolarHBondContact O-N 3.25Å
217S49.1Very low53.2Low79 Ų79130.5 Ų130.555%0.55272%0.717SS**SBendtrans-117.288.5166.3166.50000108.1Y219S217-Y219 PolarHBondContact O-N 3.29Å
218E53.1Low52.9Low166 Ų166135.6 Ų135.678%0.77673%0.728SS**  trans-52.8106168.554.8-167177.800109.9D220E218-D220 PolarHBondContact O-N 3.09Å
219Y51.4Low52.1Low155 Ų155138.2 Ų138.261%0.60874%0.736SS**  trans-72.491.5176.9-99.2-99.4000109.1S217 F221 L222S217-Y219 PolarHBondContact O-N 3.29Å; Y219-F221 HydrophobicContact CD1-CB 4.36Å; Y219-F221 PolarHBondContact O-N 2.88Å; Y219-L222 PolarHBondContact O-N 3.36Å; Y219-L222 VanDerWaalsContact O-N 3.15Å
220D55Low51.2Low128 Ų128141.3 Ų141.368%0.68475%0.747SS**THydrogen-bonded Turntrans-58.9-11.2170.4-94.8-18.7000113.6E218 L222E218-D220 PolarHBondContact O-N 3.09Å; D220-L222 VanDerWaalsContact C-N 3.31Å; D220-L222 PolarHBondContact O-N 3.1Å
221F53.3Low49.9Very low184 Ų184135.4 Ų135.481%0.80774%0.737SS**THydrogen-bonded Turntrans-72.9-20.8175.6-167.4-104000113.6Y219Y219-F221 HydrophobicContact CD1-CB 4.36Å; Y219-F221 PolarHBondContact O-N 2.88Å
222L51.6Low49Very low138 Ų138135 Ų13572%0.72374%0.742SS**THydrogen-bonded Turntrans-106-6.8179.6-64.5-179000113.9Y219 D220 S224Y219-L222 PolarHBondContact O-N 3.36Å; Y219-L222 VanDerWaalsContact O-N 3.15Å; D220-L222 VanDerWaalsContact C-N 3.31Å; D220-L222 PolarHBondContact O-N 3.1Å; L222-S224 PolarHBondContact O-N 3.01Å
223N48Very low48.3Very low113 Ų113134.7 Ų134.760%0.60474%0.74SS**  trans-95.282.9173.6-66.1-38.9000109.4A225N223-A225 PolarHBondContact O-N 3.44Å
224S46Very low47.2Very low119 Ų119137.4 Ų137.483%0.83275%0.754SS**  trans-59.2107.2156.7-66.40000107.2L222L222-S224 PolarHBondContact O-N 3.01Å
225A48.8Very low45.9Very low88 Ų88136.2 Ų136.273%0.72775%0.754SS**  trans-54.3134.417400000109.5N223 E227N223-A225 PolarHBondContact O-N 3.44Å; A225-E227 PolarHBondContact O-N 3.45Å
226P47.7Very low44.9Very low124 Ų124140.8 Ų140.881%0.80576%0.755SS**  trans-63119.6169.8-15.828.3000109.8
227E46.1Very low44Very low163 Ų163142 Ų14276%0.76275%0.753SS**  trans30.793.2148-157.5161.4-150.200117.3A225 N229A225-E227 PolarHBondContact O-N 3.45Å; E227-N229 PolarHBondContact O-N 2.98Å; E227-N229 VanDerWaalsContact O-N 3.14Å
228R45.3Very low43.5Very low229 Ų229143.7 Ų143.786%0.86476%0.762SS**  trans-76.797.7161.2-75.8-173.776.9118.3-1.3109.5I230R228-I230 PolarHBondContact O-N 2.9Å
229N40.3Very low43.2Very low139 Ų139141.1 Ų141.174%0.74376%0.759SS**  trans-54.4102.5159-62.2-80.1000109.2E227 G231E227-N229 PolarHBondContact O-N 2.98Å; E227-N229 VanDerWaalsContact O-N 3.14Å; N229-G231 VanDerWaalsContact C-N 3.25Å; N229-G231 PolarHBondContact O-N 3.27Å
230I41.2Very low42.4Very low169 Ų169142 Ų14287%0.86777%0.773SS**  trans-74.587.6166.2-62123000106.6R228R228-I230 PolarHBondContact O-N 2.9Å
231G39.1Very low41.1Very low55 Ų55139.5 Ų139.557%0.56778%0.779SS**  trans-82.9137.5162.700000109.9N229N229-G231 VanDerWaalsContact C-N 3.25Å; N229-G231 PolarHBondContact O-N 3.27Å
232L33.4Very low39.9Very low169 Ų169136.1 Ų136.189%0.88578%0.778SS**  trans162.9153.4138.4-86167.3000109.9
233P42.2Very low39.9Very low106 Ų106134.7 Ų134.769%0.68878%0.777SS**  -129.9162.7-73.234.3-16.4000112.1
234V32.7Very low38.9Very low147 Ų147135.5 Ų135.589%0.89179%0.786SS**  trans-165.3121.9143.7160.50000111.4
235A30.3Very low38.3Very low86 Ų86137.2 Ų137.271%0.71179%0.785SS**  trans37.8116.214700000124.5
236R34.3Very low38.1Very low237 Ų237138 Ų13889%0.89478%0.782SS**  30.7130.9129.7-71.8-178.4173.7174.6-0.7118.2
237K35.6Very low37.3Very low189 Ų189139.9 Ų139.982%0.82278%0.78SS**  cis-170.8168.935.6-111.5173-179.4-176.50110.1
238P38.3Very low36.8Very low113 Ų113141 Ų14173%0.73479%0.786SS**  trans-99.4-165.6-169.243.3-36.3000113.3
239P47.9Very low36.4Very low112 Ų112139 Ų13973%0.72779%0.786SS**  cis-132.2-177.93.436.3-12.6000114.1
240L32.6Very low37.2Very low173 Ų173137.2 Ų137.291%0.90678%0.782SS**  170.8144.667.9-167.469.9000110.7
241G29.2Very low37Very low77 Ų77136.4 Ų136.479%0.79479%0.785SS**  trans119.8100.7147.800000118.5
242S28.5Very low36.9Very low112 Ų112141.6 Ų141.678%0.78379%0.794SS**  trans-121.5-178.3149.863.70000107
243P49.9Very low37.3Very low108 Ų108140.5 Ų140.570%0.70179%0.789SS**  cis-129.7-174.6-5.328.8-4.9000111.8
244T27.6Very low37.4Very low131 Ų131140.4 Ų140.480%0.80479%0.788SS**  169.1135.693.4-55.50000110
245L32.6Very low37.9Very low154 Ų154140.9 Ų140.981%0.80679%0.785SS**  trans-77.9175.5162.7-95.2-173.4000110.6
246P44.7Very low38.6Very low104 Ų104142.5 Ų142.568%0.67579%0.788SS**  cis-145.7162.436.442.1-18.7000115.9
247E31.2Very low38.8Very low164 Ų164138.9 Ų138.977%0.76678%0.779SS**  78.9126.6108.3-169.3178.2174.700115.8
248E35.8Very low38.6Very low186 Ų186136.6 Ų136.687%0.86978%0.781SS**  trans166.6152.7131.7-74-111.8134.800111.5
249E37.2Very low38.8Very low188 Ų188140.5 Ų140.588%0.87978%0.782SS**  trans-95.5-167.6-155.5-127.1-154.8122.300114.2
250P56.2Low38.4Very low101 Ų101140.8 Ų140.866%0.65678%0.784SS**  trans-114.8170.9-143.138.3-18.2000114.7
251V37.7Very low38.6Very low152 Ų152139.1 Ų139.192%0.92178%0.781SS**  trans-143.4132.8164.1-176.90000112.1
252E37.9Very low39.2Very low165 Ų165140.8 Ų140.877%0.77178%0.781SS**  trans-85.1147.5-177-82.6-174.4150.500115.5
253L40.1Very low39.9Very low146 Ų146141.6 Ų141.676%0.76478%0.783SS**  trans68.7169.1140-67.9174.7000120.5
254P45.5Very low39.2Very low103 Ų103140.7 Ų140.767%0.66978%0.78SS**  cis-141.1147.5-18.125.9-2.6000117.7
255L43.7Very low39.6Very low158 Ų158142.7 Ų142.783%0.82778%0.779SS**  trans56.6170.5141.4-61.1173.1000121
256P43.9Very low39.5Very low119 Ų119141 Ų14177%0.77378%0.78SS**  cis-133.9173.5-2.231.9-8.7000116.9
257F38.6Very low39.3Very low162 Ų162142.5 Ų142.571%0.71179%0.793SS**  trans-50.6147171.3-91.7-108000117.1Y259F257-Y259 AromaticContact CD1-CD2 3.98Å; F257-Y259 HydrophobicContact CD1-CD2 3.98Å; F257-Y259 AromaticContact CD1-CE2 3.7Å; F257-Y259 HydrophobicContact CD1-CE2 3.7Å; F257-Y259 HydrophobicContact CE1-CD2 4.47Å; F257-Y259 AromaticContact CE1-CE2 3.79Å; F257-Y259 HydrophobicContact CE1-CE2 3.79Å
258V32.7Very low39.4Very low141 Ų141140 Ų14086%0.85579%0.794SS**  trans-142.1119.3147.1-174.70000109.5
259Y41.2Very low39.7Very low194 Ų194135.6 Ų135.676%0.76179%0.79SS**  trans-75.6154.7171.1-88-94.7000111.6F257F257-Y259 AromaticContact CD1-CD2 3.98Å; F257-Y259 HydrophobicContact CD1-CD2 3.98Å; F257-Y259 AromaticContact CD1-CE2 3.7Å; F257-Y259 HydrophobicContact CD1-CE2 3.7Å; F257-Y259 HydrophobicContact CE1-CD2 4.47Å; F257-Y259 AromaticContact CE1-CE2 3.79Å; F257-Y259 HydrophobicContact CE1-CE2 3.79Å
260P38.8Very low39.5Very low118 Ų118132.1 Ų132.177%0.76679%0.786SS**  trans-113.7143.4145.810.410.1000112.5
261T37.6Very low39Very low138 Ų138132.7 Ų132.785%0.84779%0.79SS**  trans-57.7153.2178.713.30000115
262S42.3Very low39.2Very low113 Ų113130.1 Ų130.179%0.7978%0.778SS**  trans-49.7156.5175.8-44.70000115.2
263P42.7Very low39.3Very low128 Ų128131.5 Ų131.583%0.83178%0.784SS**  trans-123.4140.4142.719.6-0.5000113.3
264S35.8Very low39.2Very low90 Ų90133 Ų13363%0.62979%0.788SS**  trans-78161.7177.7-510000113.8
265H35Very low39Very low173 Ų173133 Ų13380%0.80179%0.79SS**  trans67.9117.3158.9-43.9-67.1000118.9
266S31.1Very low39.3Very low118 Ų118132.1 Ų132.183%0.82579%0.791SS**  171.5122.9110-74.50000110.8S268S266-S268 PolarHBondContact O-N 2.93Å
267S41.2Very low39.8Very low136 Ų136137.9 Ų137.995%0.95180%0.797SS**  trans-64.7118.5167-53.40000109.3
268S31.8Very low40.9Very low110 Ų110132.7 Ų132.777%0.76979%0.79SS**  trans-121.1105.4170.2165.30000108.3S266S266-S268 PolarHBondContact O-N 2.93Å
269A42.7Very low42.1Very low95 Ų95132.1 Ų132.179%0.78579%0.788SS**  trans-74.6136166.600000110
270S34.1Very low42.6Very low115 Ų115131.7 Ų131.780%0.80479%0.793SS**  trans-162.4153.8157-82.30000110.8
271P45.4Very low43.5Very low113 Ų113134.3 Ų134.373%0.73480%0.795SS**  trans-116.8-178.6-136.438.8-26.7000114.7
272S40.9Very low44.6Very low98 Ų98133.6 Ų133.669%0.68579%0.793SS**  trans68.9108.5158.863.10000118.3
273H39.4Very low44.8Very low193 Ų193139.3 Ų139.389%0.89480%0.798SS**  -151.8103.4120.3-99.1-75.2000109.2
274E38.3Very low44.7Very low179 Ų179144 Ų14484%0.83680%0.799SS**  trans-68140.8159.5-156160162.800107
275S41.9Very low45.1Very low101 Ų101145.4 Ų145.471%0.70680%0.804SS**  -165.6172.457.6-55.80000112
276V49.2Very low45.3Very low140 Ų140141.2 Ų141.285%0.84879%0.792SS**  trans9671.3175.8-160.30000114.3
277R55.2Low45.9Very low240 Ų240144.8 Ų144.891%0.90680%0.795SS**  trans-149.1143.4151.2-149164.1-74.4-109.70.4109.3
278G61.2Low46Very low54 Ų54145.6 Ų145.656%0.55779%0.788SS**SBendtrans-59.2174173.600000112.1E280G278-E280 PolarHBondContact O-N 3.09Å; G278-E280 VanDerWaalsContact O-N 3.13Å
279P58Low46.4Very low128 Ų128146.2 Ų146.283%0.83179%0.791SS**SBendtrans-46.5121.8-171.814.7-28.4000111.5Q281P279-Q281 PolarHBondContact O-N 3.47Å
280E52.5Low46.3Very low185 Ų185149.2 Ų149.286%0.86479%0.794SS**  trans-59.8113.3-179.1-69.5-156.4131.900109.1G278G278-E280 PolarHBondContact O-N 3.09Å; G278-E280 VanDerWaalsContact O-N 3.13Å
281Q57Low46.4Very low173 Ų173148.7 Ų148.781%0.80880%0.797SS**  trans-71.8131.4169.4-65.7-161-41.300108.2P279 R283P279-Q281 PolarHBondContact O-N 3.47Å; Q281-R283 PolarHBondContact O-N 3.48Å
282P60.1Low46Very low123 Ų123150 Ų15080%0.79980%0.802SS**  trans-57.6117.617422.5-30.5000108.1W284P282-W284 PolarHBondContact O-N 2.78Å
283R47.6Very low46.1Very low234 Ų234152.6 Ų152.688%0.88381%0.809SS**  trans-65.6106.9175.7-68.6-177.3-179.2-115.22.7107.3Q281 T285Q281-R283 PolarHBondContact O-N 3.48Å; R283-T285 PolarHBondContact O-N 3.47Å; R283-T285 VanDerWaalsContact O-N 3.12Å
284W40.1Very low46.1Very low227 Ų227152 Ų15286%0.8681%0.809SS**  trans-64115.1172.6-138.174.4000108.1P282 P286P282-W284 PolarHBondContact O-N 2.78Å; W284-P286 HydrophobicContact CE3-CG 4.19Å; W284-P286 HydrophobicContact CZ3-CB 4.5Å; W284-P286 HydrophobicContact CZ3-CG 4.08Å
285T43.6Very low45.8Very low119 Ų119147 Ų14773%0.7380%0.804SS**  trans-117.9117.9170.222.30000106.1R283 E287R283-T285 PolarHBondContact O-N 3.47Å; R283-T285 VanDerWaalsContact O-N 3.12Å; T285-E287 PolarHBondContact O-N 3Å
286P41Very low45.8Very low85 Ų85146.6 Ų146.655%0.55281%0.808SS**  trans-64.4121.7169.9-14.928.6000107.9W284 L288W284-P286 HydrophobicContact CE3-CG 4.19Å; W284-P286 HydrophobicContact CZ3-CB 4.5Å; W284-P286 HydrophobicContact CZ3-CG 4.08Å; P286-L288 PolarHBondContact O-N 3.32Å
287E42.3Very low45.2Very low192 Ų192147 Ų14790%0.89781%0.805SS**  trans-61.9101.4164.7-79.7-179.2156.900107.3T285 C289T285-E287 PolarHBondContact O-N 3Å; E287-C289 PolarHBondContact O-N 2.95Å
288L42.9Very low44.4Very low154 Ų154144.3 Ų144.381%0.80680%0.802SS**  trans-73.4112.6162.2-88.6104.2000106.7P286 D290P286-L288 PolarHBondContact O-N 3.32Å; L288-D290 PolarHBondContact O-N 3.28Å
289C41.9Very low43.2Very low123 Ų123149.6 Ų149.683%0.83181%0.813SS**  trans-55.6127.7167.2-62.70000109.4E287 A291E287-C289 PolarHBondContact O-N 2.95Å; C289-A291 PolarHBondContact O-N 2.68Å
290D39.7Very low42.5Very low157 Ų157148.7 Ų148.784%0.8481%0.807SS**  trans-58.3119.8177.7-76-44000110.8L288 V292L288-D290 PolarHBondContact O-N 3.28Å; D290-V292 PolarHBondContact O-N 3.47Å
291A35.7Very low42.2Very low105 Ų105147.6 Ų147.687%0.86881%0.806SS**  trans-75.5102.7170.300000108.7C289C289-A291 PolarHBondContact O-N 2.68Å
292V38.5Very low42.1Very low140 Ų140142.6 Ų142.685%0.84879%0.79SS**  trans-68.7128.4166.7-112.10000109.6D290 M294D290-V292 PolarHBondContact O-N 3.47Å; V292-M294 PolarHBondContact O-N 3.08Å
293D41.6Very low41.8Very low153 Ų153140.9 Ų140.982%0.81878%0.781SS**  trans-58.7112.5173.6-177.122.6000111.5
294M39.4Very low42.6Very low181 Ų181134.6 Ų134.689%0.89277%0.772SS**  trans-151.2119.8159.7-81.5-62.7178.500111.1V292V292-M294 PolarHBondContact O-N 3.08Å
295G33.3Very low44Very low72 Ų72127.3 Ų127.374%0.74275%0.754SS**  trans13.814114800000122.2
296A40.8Very low45.7Very low94 Ų94124.7 Ų124.778%0.77774%0.737SS**SBendtrans-47.6153.1173.300000115.9
297D37.3Very low47.7Very low149 Ų149128 Ų12880%0.79775%0.745SS**  trans103.1107.7166.5-60.6-33.7000118.3
298Q37.9Very low49.8Very low182 Ų182119.3 Ų119.385%0.8571%0.706SS**  trans86.2132.1152.2-63.6178.149.500121.9
299E37Very low51.7Low166 Ų166116.6 Ų116.678%0.77671%0.706SS**  trans70.9138.5163.3-79.1-82122.800119.6L301E299-L301 PolarHBondContact O-N 3.13Å
300P41.9Very low53.6Low109 Ų109116.6 Ų116.671%0.70869%0.692SS**  trans-73.1100.4-173.829.7-31.4000111.3S302P300-S302 PolarHBondContact O-N 3.15Å
301L47.4Very low55.7Low162 Ų162110.3 Ų110.385%0.84866%0.66SS**  trans-65.794.1165.3-104.386.3000110.3E299E299-L301 PolarHBondContact O-N 3.13Å
302S54.3Low57.8Low68 Ų68111.6 Ų111.648%0.47666%0.659SS.*  trans-143.353.2155.5-170.10000109.6P300P300-S302 PolarHBondContact O-N 3.15Å
303S54.6Low59.8Low86 Ų86109 Ų10960%0.60164%0.641SS**  trans-108.515.4-17855.90000113P305S303-P305 WeakPolarHBondContact O-CD 3.32Å
304C63.2Low61.7Low102 Ų102107.1 Ų107.169%0.68963%0.63SS**  trans-68.7117.4173.3-130.80000108.5V306C304-V306 PolarHBondContact O-N 2.86Å
305P70.3Confident63.7Low74 Ų7499 Ų9948%0.48159%0.591SS.*EExtended strand (participates in β ladder)trans-69.3128.4177-13.129.1000108.9S303 L314S303-P305 WeakPolarHBondContact O-CD 3.32Å; P305-L314 HydrophobicContact CB-CB 4Å
306V78.6Confident66.2Low64 Ų6497.7 Ų97.739%0.38857%0.569SS.*EExtended strand (participates in β ladder)trans-105.8139.3174.6178.70000108.2C304 C308 V315 M320C304-V306 PolarHBondContact O-N 2.86Å; V306-C308 PolarHBondContact O-N 2.62Å; V306-V315 PolarHBondContact N-O 2.97Å; V306-V315 PolarHBondContact O-N 3.47Å; V306-M320 HydrophobicContact CB-CE 3.7Å; V306-M320 HydrophobicContact CG1-CE 3.89Å; V306-M320 WeakPolarHBondContact O-CE 3.25Å
307E83.8Confident68Low154 Ų15497.9 Ų97.972%0.7255%0.554SS**EExtended strand (participates in β ladder)trans-66.8131175.5-73.2-179.3176.600110.4L314E307-L314 HydrophobicContact CG-CD2 3.46Å; E307-L314 VanDerWaalsContact CG-CD2 3.46Å
308C85.6Confident70Confident10 Ų1096.3 Ų96.37%0.06855%0.545CS..  trans-73.3135.7173.1-178.70000110.8V306 F310 D313 V315 H323V306-C308 PolarHBondContact O-N 2.62Å; C308-F310 PolarHBondContact O-N 3.42Å; C308-F310 PolarHBondContact SG-N 2.94Å; C308-F310 VanDerWaalsContact SG-N 3.42Å; C308-D313 PolarHBondContact N-O 3.27Å; C308-V315 HydrophobicContact CB-CG2 4.49Å; C308-H323 PolarHBondContact SG-CD2 3.19Å; C308-H323 PolarHBondContact SG-NE2 3.42Å
309A83.4Confident72.2Confident97 Ų9791.6 Ų91.680%0.80253%0.526SS*.SBendtrans-69.2-11.3177.400000114.3
310F81.8Confident74.5Confident124 Ų12484.9 Ų84.954%0.54450%0.495SS..SBendtrans-113.2-14.2-172.5-59.4-83.8000113.7C308 L324 H327 F328C308-F310 PolarHBondContact O-N 3.42Å; C308-F310 PolarHBondContact SG-N 2.94Å; C308-F310 VanDerWaalsContact SG-N 3.42Å; F310-L324 HydrophobicContact CD2-CD2 3.46Å; F310-L324 VanDerWaalsContact CD2-CD2 3.46Å; F310-L324 HydrophobicContact CE2-CD2 3.53Å; F310-H327 HydrophobicContact CB-CB 4.49Å; F310-F328 HydrophobicContact CZ-CZ 4.37Å
311C84.1Confident76.5Confident25 Ų2585.1 Ų85.117%0.16949%0.494CS..SBendtrans-153.5160.4175.560.20000111.1D313 H323 H327C311-D313 PolarHBondContact O-N 3.23Å; C311-D313 PolarHBondContact SG-OD2 3.26Å; C311-H323 PolarHBondContact SG-CE1 3.29Å; C311-H323 PolarHBondContact SG-NE2 2.88Å; C311-H327 PolarHBondContact SG-CE1 3.03Å; C311-H327 PolarHBondContact SG-NE2 2.99Å
312P78.6Confident78.3Confident131 Ų13180.7 Ų80.785%0.85148%0.477SS*.SBendtrans-72.716.6179.132-37.8000114.2
313D80.8Confident80Confident87 Ų8778.7 Ų78.747%0.46546%0.46SS..  trans-82.3132.5-177.7-60.3-35.8000110.6C308 C311 V315 H323C308-D313 PolarHBondContact N-O 3.27Å; C311-D313 PolarHBondContact O-N 3.23Å; C311-D313 PolarHBondContact SG-OD2 3.26Å; D313-V315 HydrophobicContact CB-CG2 4.21Å; D313-H323 IonicContact OD2-CE1 3.66Å
314L82.4Confident81.6Confident113 Ų11377 Ų7759%0.59244%0.444SS*.EExtended strand (participates in β ladder)trans-83.6113.5170.7-69.9170.7000108.9P305 E307P305-L314 HydrophobicContact CB-CB 4Å; E307-L314 HydrophobicContact CG-CD2 3.46Å; E307-L314 VanDerWaalsContact CG-CD2 3.46Å
315V81.6Confident82.7Confident10 Ų1080.1 Ų80.16%0.06144%0.442CS..EExtended strand (participates in β ladder)trans-116.8127.6-172.7-174.30000109.8V306 C308 D313 Q317 L319 M320 H323V306-V315 PolarHBondContact N-O 2.97Å; V306-V315 PolarHBondContact O-N 3.47Å; C308-V315 HydrophobicContact CB-CG2 4.49Å; D313-V315 HydrophobicContact CB-CG2 4.21Å; V315-Q317 PolarHBondContact O-N 3.05Å; V315-L319 HydrophobicContact CG1-CB 3.98Å; V315-M320 HydrophobicContact CB-CE 3.96Å; V315-M320 HydrophobicContact CB-SD 4.42Å; V315-H323 HydrophobicContact CG1-CB 3.83Å; V315-H323 HydrophobicContact CG2-CB 4.22Å
316P84.4Confident83.4Confident45 Ų4582.3 Ų82.329%0.29245%0.449SS..EExtended strand (participates in β ladder)trans-53.9139171.9-27.937000111.9N318 L319 M320P316-N318 WeakPolarHBondContact CB-OD1 3.43Å; P316-N318 PolarHBondContact O-N 3.42Å; P316-N318 VanDerWaalsContact O-N 3.09Å; P316-L319 HydrophobicContact CB-CD1 4.47Å; P316-L319 HydrophobicContact CG-CD1 4.34Å; P316-L319 CarbonylContact O-C 3.59Å; P316-L319 WeakPolarHBondContact O-CA 3.46Å; P316-L319 PolarHBondContact O-N 3.3Å; P316-M320 PolarHBondContact O-N 3.44Å; P316-M320 VanDerWaalsContact O-N 3.16Å
317Q79.7Confident83.7Confident98 Ų9882.7 Ų82.746%0.45845%0.447SS..G310 helixtrans-52.9-36.4-175.3-172.9676.900113.5V315 L319 M320V315-Q317 PolarHBondContact O-N 3.05Å; Q317-L319 VanDerWaalsContact C-N 3.25Å; Q317-L319 PolarHBondContact O-N 3.46Å; Q317-M320 PolarHBondContact O-N 3.17Å
318N79.3Confident83.5Confident115 Ų11582.3 Ų82.362%0.61544%0.443SS*.G310 helixtrans-70.4-15.7177.565.7-33.3000114.4P316P316-N318 WeakPolarHBondContact CB-OD1 3.43Å; P316-N318 PolarHBondContact O-N 3.42Å; P316-N318 VanDerWaalsContact O-N 3.09Å
319L83.9Confident83.2Confident84 Ų8485.9 Ų85.944%0.4446%0.461SS..G310 helixtrans-111-1.5179.4-60.4178.8000113V315 P316 Q317 T321 S322 H323V315-L319 HydrophobicContact CG1-CB 3.98Å; P316-L319 HydrophobicContact CB-CD1 4.47Å; P316-L319 HydrophobicContact CG-CD1 4.34Å; P316-L319 CarbonylContact O-C 3.59Å; P316-L319 WeakPolarHBondContact O-CA 3.46Å; P316-L319 PolarHBondContact O-N 3.3Å; Q317-L319 VanDerWaalsContact C-N 3.25Å; Q317-L319 PolarHBondContact O-N 3.46Å; L319-T321 VanDerWaalsContact C-N 3.29Å; L319-T321 PolarHBondContact O-N 3.19Å; L319-S322 PolarHBondContact O-N 3.26Å; L319-S322 PolarHBondContact O-OG 3.07Å; L319-H323 WeakPolarHBondContact O-CB 3.47Å; L319-H323 PolarHBondContact O-N 3.45Å
320M85.3Confident82.2Confident25 Ų2586.8 Ų86.812%0.12346%0.458CS..Hα-helixtrans-58-41.6-178.9-173.359.471.600111.7V306 V315 P316 Q317 S322 H323 L324V306-M320 HydrophobicContact CB-CE 3.7Å; V306-M320 HydrophobicContact CG1-CE 3.89Å; V306-M320 WeakPolarHBondContact O-CE 3.25Å; V315-M320 HydrophobicContact CB-CE 3.96Å; V315-M320 HydrophobicContact CB-SD 4.42Å; P316-M320 PolarHBondContact O-N 3.44Å; P316-M320 VanDerWaalsContact O-N 3.16Å; Q317-M320 PolarHBondContact O-N 3.17Å; M320-S322 PolarHBondContact O-N 3.42Å; M320-H323 PolarHBondContact O-N 3.17Å; M320-L324 HydrophobicContact CG-CD1 4.16Å; M320-L324 HydrophobicContact CG-CG 4.38Å; M320-L324 WeakPolarHBondContact O-CB 3.39Å; M320-L324 VanDerWaalsContact O-CG 3.23Å; M320-L324 WeakPolarHBondContact O-CG 3.45Å; M320-L324 PolarHBondContact O-N 3.5Å; M320-L324 HydrophobicContact SD-CG 4.33Å
321T84.1Confident81.2Confident113 Ų11390 Ų9069%0.69347%0.472SS*.Hα-helixtrans-66.6-40.6-177.7-28.20000112.8L319 Y325L319-T321 VanDerWaalsContact C-N 3.29Å; L319-T321 PolarHBondContact O-N 3.19Å; T321-Y325 PolarHBondContact O-N 2.84Å
322S85.5Confident79.5Confident69 Ų6998.5 Ų98.548%0.48351%0.506SS..Hα-helixtrans-72.9-37.1177.558.20000111.4L319 M320 Y325 L326L319-S322 PolarHBondContact O-N 3.26Å; L319-S322 PolarHBondContact O-OG 3.07Å; M320-S322 PolarHBondContact O-N 3.42Å; S322-Y325 WeakPolarHBondContact O-CB 3.28Å; S322-Y325 PolarHBondContact O-N 3.39Å; S322-L326 PolarHBondContact O-N 3.37Å
323H88.3Confident78.1Confident27 Ų27101 Ų10113%0.12551%0.507CS..Hα-helixtrans-63.1-45.1173.6177.186.8000112.2C308 C311 D313 V315 L319 M320 Y325 L326 H327C308-H323 PolarHBondContact SG-CD2 3.19Å; C308-H323 PolarHBondContact SG-NE2 3.42Å; C311-H323 PolarHBondContact SG-CE1 3.29Å; C311-H323 PolarHBondContact SG-NE2 2.88Å; D313-H323 IonicContact OD2-CE1 3.66Å; V315-H323 HydrophobicContact CG1-CB 3.83Å; V315-H323 HydrophobicContact CG2-CB 4.22Å; L319-H323 WeakPolarHBondContact O-CB 3.47Å; L319-H323 PolarHBondContact O-N 3.45Å; M320-H323 PolarHBondContact O-N 3.17Å; H323-Y325 PolarHBondContact O-N 3.09Å; H323-L326 WeakPolarHBondContact O-CB 3.48Å; H323-L326 PolarHBondContact O-N 3.41Å; H323-H327 AromaticContact CD2-CD2 3.93Å; H323-H327 AromaticContact CD2-NE2 3.71Å; H323-H327 AromaticContact CE1-NE2 3.72Å; H323-H327 AromaticContact NE2-CD2 3.69Å; H323-H327 AromaticContact NE2-NE2 3Å; H323-H327 PolarHBondContact NE2-NE2 3.38Å
324L89Confident76.4Confident50 Ų50101.5 Ų101.526%0.26252%0.523SS..Hα-helixtrans-58.2-38.7174.8-73.7175.1000111.6F310 M320 L326 H327 F328F310-L324 HydrophobicContact CD2-CD2 3.46Å; F310-L324 VanDerWaalsContact CD2-CD2 3.46Å; F310-L324 HydrophobicContact CE2-CD2 3.53Å; M320-L324 HydrophobicContact CG-CD1 4.16Å; M320-L324 HydrophobicContact CG-CG 4.38Å; M320-L324 WeakPolarHBondContact O-CB 3.39Å; M320-L324 VanDerWaalsContact O-CG 3.23Å; M320-L324 WeakPolarHBondContact O-CG 3.45Å; M320-L324 PolarHBondContact O-N 3.5Å; M320-L324 HydrophobicContact SD-CG 4.33Å; L324-L326 PolarHBondContact O-N 3.02Å; L324-H327 WeakPolarHBondContact O-CB 3.46Å; L324-H327 PolarHBondContact O-N 2.83Å; L324-H327 VanDerWaalsContact O-N 3.11Å; L324-F328 WeakPolarHBondContact O-CD2 3.09Å
325Y86.5Confident74.4Confident168 Ų168105.4 Ų105.466%0.65954%0.538SS*.Hα-helixtrans-59.9-35.1177.1-159.1-103.5000112.4T321 S322 H323 H327 F328 L329T321-Y325 PolarHBondContact O-N 2.84Å; S322-Y325 WeakPolarHBondContact O-CB 3.28Å; S322-Y325 PolarHBondContact O-N 3.39Å; H323-Y325 PolarHBondContact O-N 3.09Å; Y325-H327 VanDerWaalsContact C-N 3.29Å; Y325-H327 PolarHBondContact O-N 3.49Å; Y325-F328 PolarHBondContact O-N 3.15Å; Y325-F328 VanDerWaalsContact O-N 3.12Å; Y325-L329 HydrophobicContact CD1-CD1 3.39Å; Y325-L329 HydrophobicContact CE1-CD1 3.53Å; Y325-L329 HydrophobicContact CG-CD1 4.32Å; Y325-L329 WeakPolarHBondContact O-CD1 3.44Å; Y325-L329 PolarHBondContact O-N 2.97Å
326L85.9Confident72.2Confident120 Ų120116.1 Ų116.163%0.62860%0.595SS**Hα-helixtrans-65.6-27.8177.1-64.7173.2000113.5S322 H323 L324 F328S322-L326 PolarHBondContact O-N 3.37Å; H323-L326 WeakPolarHBondContact O-CB 3.48Å; H323-L326 PolarHBondContact O-N 3.41Å; L324-L326 PolarHBondContact O-N 3.02Å; L326-F328 VanDerWaalsContact C-N 3.32Å
327H84.1Confident71.6Confident72 Ų72119.7 Ų119.733%0.33361%0.61SS.*Hα-helixtrans-69.9-30.3173.2-73.5-68.8000112.8F310 C311 H323 L324 Y325F310-H327 HydrophobicContact CB-CB 4.49Å; C311-H327 PolarHBondContact SG-CE1 3.03Å; C311-H327 PolarHBondContact SG-NE2 2.99Å; H323-H327 AromaticContact CD2-CD2 3.93Å; H323-H327 AromaticContact CD2-NE2 3.71Å; H323-H327 AromaticContact CE1-NE2 3.72Å; H323-H327 AromaticContact NE2-CD2 3.69Å; H323-H327 AromaticContact NE2-NE2 3Å; H323-H327 PolarHBondContact NE2-NE2 3.38Å; L324-H327 WeakPolarHBondContact O-CB 3.46Å; L324-H327 PolarHBondContact O-N 2.83Å; L324-H327 VanDerWaalsContact O-N 3.11Å; Y325-H327 VanDerWaalsContact C-N 3.29Å; Y325-H327 PolarHBondContact O-N 3.49Å
328F78.7Confident71.2Confident146 Ų146120.8 Ų120.864%0.6462%0.618SS**Hα-helixtrans-89.5-10.5-179-63.8-70.5000113.7F310 L324 Y325 L326F310-F328 HydrophobicContact CZ-CZ 4.37Å; L324-F328 WeakPolarHBondContact O-CD2 3.09Å; Y325-F328 PolarHBondContact O-N 3.15Å; Y325-F328 VanDerWaalsContact O-N 3.12Å; L326-F328 VanDerWaalsContact C-N 3.32Å
329L80.4Confident70.8Confident85 Ų85121.2 Ų121.245%0.44562%0.619SS.*SBendtrans-69.9129.8169-92.193.2000109.2Y325 K331Y325-L329 HydrophobicContact CD1-CD1 3.39Å; Y325-L329 HydrophobicContact CE1-CD1 3.53Å; Y325-L329 HydrophobicContact CG-CD1 4.32Å; Y325-L329 WeakPolarHBondContact O-CD1 3.44Å; Y325-L329 PolarHBondContact O-N 2.97Å; L329-K331 PolarHBondContact O-N 2.96Å
330P62.3Low70Confident115 Ų115123.4 Ų123.475%0.74763%0.629SS**  trans-59.9112.9170.323.9-30000107.6K332P330-K332 PolarHBondContact O-N 3.18Å
331K61.2Low69Low191 Ų191129.5 Ų129.583%0.8366%0.661SS**  trans-54.3110.3164.8-80.5179.8178173.30105.6L329 E333L329-K331 PolarHBondContact O-N 2.96Å; K331-E333 PolarHBondContact O-N 2.95Å
332K48.6Very low68Low205 Ų205130.6 Ų130.689%0.89166%0.658SS**  trans-62.7100.4159.2-72.5-170.8177.7-179.60104P330 A334P330-K332 PolarHBondContact O-N 3.18Å; K332-A334 PolarHBondContact O-N 2.99Å
333E47.3Very low66.8Low183 Ų183135 Ų13586%0.85567%0.671SS**  trans-54.6111.4171.2-65.6-169.8162.300106.2K331 E335K331-E333 PolarHBondContact O-N 2.95Å; E333-E335 PolarHBondContact O-N 3.14Å
334A45.5Very low65.1Low98 Ų98143.3 Ų143.381%0.8171%0.713SS**  trans-64.1123.5168.700000106.5K332 N336K332-A334 PolarHBondContact O-N 2.99Å; A334-N336 PolarHBondContact O-N 3Å
335E41.7Very low63.1Low194 Ų194151.1 Ų151.191%0.90775%0.751SS**  trans-43.7127.5165.8-73.2172.1131.900110.5E333E333-E335 PolarHBondContact O-N 3.14Å
336N35.4Very low61Low236 Ų236149.5 Ų149.5100%1.26276%0.759SS**  trans-149.10137.5-149.312.8000110.1A334A334-N336 PolarHBondContact O-N 3Å

Retrieved 336 of 336 residues in 403.3 ms (Link to these results)